NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
495794 | 2l4d | 17236 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 13.427 5.022 7.309 2 HA SER 1 HA SER 1 12.591 7.244 9.139 3 HB2 SER 1 HB2 SER 1 13.278 7.343 6.174 4 HB3 SER 1 HB3 SER 1 12.767 8.706 7.187 5 HG SER 1 HG SER 1 15.159 7.147 7.427 6 H GLY 2 H GLY 2 11.652 5.100 6.447 7 HA2 GLY 2 HA2 GLY 2 9.020 5.994 5.981 8 HA3 GLY 2 HA3 GLY 2 9.602 4.369 5.767 9 H GLU 3 H GLU 3 10.201 4.145 8.790 10 HA GLU 3 HA GLU 3 7.697 3.111 9.710 11 HB2 GLU 3 HB2 GLU 3 9.953 2.468 10.529 12 HB3 GLU 3 HB3 GLU 3 10.112 4.040 11.315 13 HG2 GLU 3 HG2 GLU 3 8.159 3.492 12.765 14 HG3 GLU 3 HG3 GLU 3 7.992 1.934 11.943 15 H GLN 4 H GLN 4 9.228 6.317 10.239 16 HA GLN 4 HA GLN 4 7.213 7.291 12.067 17 HB2 GLN 4 HB2 GLN 4 9.520 8.212 11.818 18 HB3 GLN 4 HB3 GLN 4 9.094 8.816 10.212 19 HG2 GLN 4 HG2 GLN 4 7.361 10.285 11.210 20 HG3 GLN 4 HG3 GLN 4 7.731 9.649 12.814 21 HE21 GLN 4 HE21 GLN 4 10.037 10.013 13.618 22 HE22 GLN 4 HE22 GLN 4 10.808 11.504 13.101 23 H ILE 5 H ILE 5 7.563 7.304 8.535 24 HA ILE 5 HA ILE 5 5.228 8.894 7.938 25 HB ILE 5 HB ILE 5 6.670 6.811 6.241 26 HG12 ILE 5 HG12 ILE 5 7.122 9.822 6.460 27 HG13 ILE 5 HG13 ILE 5 8.220 8.565 7.020 28 HG21 ILE 5 HG21 ILE 5 4.930 9.103 5.274 29 HG22 ILE 5 HG22 ILE 5 5.685 7.846 4.297 30 HG23 ILE 5 HG23 ILE 5 4.377 7.423 5.394 31 HD11 ILE 5 HD11 ILE 5 7.559 9.237 4.148 32 HD12 ILE 5 HD12 ILE 5 9.111 9.357 4.985 33 HD13 ILE 5 HD13 ILE 5 8.416 7.757 4.637 34 H PHE 6 H PHE 6 5.734 5.331 8.216 35 HA PHE 6 HA PHE 6 3.061 4.569 7.725 36 HB2 PHE 6 HB2 PHE 6 4.720 2.873 7.809 37 HB3 PHE 6 HB3 PHE 6 5.258 3.348 9.407 38 HD1 PHE 6 HD1 PHE 6 2.324 1.881 7.582 39 HD2 PHE 6 HD2 PHE 6 4.334 2.383 11.366 40 HE1 PHE 6 HE1 PHE 6 0.657 0.396 8.668 41 HE2 PHE 6 HE2 PHE 6 2.678 0.882 12.441 42 HZ PHE 6 HZ PHE 6 0.813 -0.067 11.112 43 H ARG 7 H ARG 7 4.601 5.420 10.860 44 HA ARG 7 HA ARG 7 2.284 5.044 12.447 45 HB2 ARG 7 HB2 ARG 7 4.639 5.087 13.187 46 HB3 ARG 7 HB3 ARG 7 4.708 6.830 12.910 47 HG2 ARG 7 HG2 ARG 7 3.114 7.233 14.713 48 HG3 ARG 7 HG3 ARG 7 2.766 5.500 14.847 49 HD2 ARG 7 HD2 ARG 7 4.211 6.186 16.663 50 HD3 ARG 7 HD3 ARG 7 5.082 5.081 15.603 51 HE ARG 7 HE ARG 7 5.461 8.036 15.847 52 HH11 ARG 7 HH11 ARG 7 6.741 4.931 14.621 53 HH12 ARG 7 HH12 ARG 7 8.315 5.611 14.272 54 HH21 ARG 7 HH21 ARG 7 7.505 8.854 15.380 55 HH22 ARG 7 HH22 ARG 7 8.744 7.824 14.698 56 H THR 8 H THR 8 3.013 7.744 10.365 57 HA THR 8 HA THR 8 1.015 9.473 11.768 58 HB THR 8 HB THR 8 2.275 11.386 10.680 59 HG1 THR 8 HG1 THR 8 4.324 9.512 10.315 60 HG21 THR 8 HG21 THR 8 3.941 9.607 12.518 61 HG22 THR 8 HG22 THR 8 2.716 10.786 13.032 62 HG23 THR 8 HG23 THR 8 4.184 11.341 12.213 63 H ARG 9 H ARG 9 1.448 7.953 8.710 64 HA ARG 9 HA ARG 9 -1.161 9.021 7.990 65 HB2 ARG 9 HB2 ARG 9 -0.531 9.681 5.658 66 HB3 ARG 9 HB3 ARG 9 -0.121 10.771 6.941 67 HG2 ARG 9 HG2 ARG 9 1.959 8.906 5.735 68 HG3 ARG 9 HG3 ARG 9 1.540 10.484 5.053 69 HD2 ARG 9 HD2 ARG 9 2.013 11.458 7.407 70 HD3 ARG 9 HD3 ARG 9 2.826 9.906 7.706 71 HE ARG 9 HE ARG 9 3.860 10.812 5.315 72 HH11 ARG 9 HH11 ARG 9 3.799 12.109 8.642 73 HH12 ARG 9 HH12 ARG 9 5.330 12.932 8.451 74 HH21 ARG 9 HH21 ARG 9 5.844 11.885 5.133 75 HH22 ARG 9 HH22 ARG 9 6.485 12.802 6.480 76 H CYS 10 H CYS 10 -0.520 6.472 8.821 77 HA CYS 10 HA CYS 10 -1.484 4.929 6.537 78 HB2 CYS 10 HB2 CYS 10 1.183 5.213 6.475 79 HB3 CYS 10 HB3 CYS 10 1.102 3.922 7.658 80 H SER 11 H SER 11 -0.324 4.781 9.927 81 HA SER 11 HA SER 11 -1.092 2.062 10.354 82 HB2 SER 11 HB2 SER 11 0.572 3.287 11.678 83 HB3 SER 11 HB3 SER 11 -0.714 4.277 12.396 84 HG SER 11 HG SER 11 0.080 2.248 13.548 85 H SER 12 H SER 12 -3.118 4.811 10.116 86 HA SER 12 HA SER 12 -5.329 4.178 11.751 87 HB2 SER 12 HB2 SER 12 -6.599 5.589 10.163 88 HB3 SER 12 HB3 SER 12 -5.056 6.317 10.638 89 HG SER 12 HG SER 12 -5.418 6.455 8.385 90 H CYS 13 H CYS 13 -4.319 2.497 8.853 91 HA CYS 13 HA CYS 13 -6.707 0.724 9.216 92 HB2 CYS 13 HB2 CYS 13 -5.579 1.537 6.543 93 HB3 CYS 13 HB3 CYS 13 -6.958 0.479 6.816 94 H HIS 14 H HIS 14 -3.408 0.726 9.437 95 HA HIS 14 HA HIS 14 -3.174 -2.050 8.415 96 HB2 HIS 14 2HB HIS 14 -1.602 0.344 7.468 97 HB3 HIS 14 3HB HIS 14 -0.908 -1.259 7.376 98 HD1 HIS 14 1HD HIS 14 -2.760 -3.146 6.056 99 HD2 HIS 14 2HD HIS 14 -2.606 0.966 5.327 100 HE1 HIS 14 1HE HIS 14 -3.679 -2.857 3.724 101 H THR 15 H THR 15 -1.055 -2.849 8.633 102 HA THR 15 HA THR 15 0.578 -2.279 10.998 103 HB THR 15 HB THR 15 0.449 -4.584 11.843 104 HG1 THR 15 HG1 THR 15 -1.851 -4.821 10.209 105 HG21 THR 15 HG21 THR 15 -2.311 -3.317 11.911 106 HG22 THR 15 HG22 THR 15 -0.934 -2.801 12.914 107 HG23 THR 15 HG23 THR 15 -1.599 -4.429 13.094 108 H VAL 16 H VAL 16 2.527 -3.658 11.001 109 HA VAL 16 HA VAL 16 3.096 -4.975 8.372 110 HB VAL 16 HB VAL 16 5.220 -3.508 9.969 111 HG11 VAL 16 HG11 VAL 16 5.158 -4.684 7.150 112 HG12 VAL 16 HG12 VAL 16 6.512 -3.794 7.883 113 HG13 VAL 16 HG13 VAL 16 6.038 -5.354 8.545 114 HG21 VAL 16 HG21 VAL 16 3.757 -1.784 9.105 115 HG22 VAL 16 HG22 VAL 16 5.167 -1.886 8.044 116 HG23 VAL 16 HG23 VAL 16 3.627 -2.603 7.535 117 H GLY 17 H GLY 17 2.145 -6.751 9.306 118 HA2 GLY 17 HA2 GLY 17 2.941 -8.930 9.907 119 HA3 GLY 17 HA3 GLY 17 3.777 -8.253 11.304 120 H ASN 18 H ASN 18 0.809 -6.701 11.385 121 HA ASN 18 HA ASN 18 -0.034 -8.653 13.484 122 HB2 ASN 18 HB2 ASN 18 0.454 -5.667 13.770 123 HB3 ASN 18 HB3 ASN 18 -0.189 -6.718 15.024 124 HD21 ASN 18 HD21 ASN 18 2.654 -5.376 13.883 125 HD22 ASN 18 HD22 ASN 18 3.742 -6.486 14.708 126 H THR 19 H THR 19 -1.536 -8.416 11.026 127 HA THR 19 HA THR 19 -4.176 -7.432 11.884 128 HB THR 19 HB THR 19 -5.033 -8.937 10.117 129 HG1 THR 19 HG1 THR 19 -3.814 -10.147 9.000 130 HG21 THR 19 HG21 THR 19 -4.051 -7.857 8.148 131 HG22 THR 19 HG22 THR 19 -2.823 -7.087 9.184 132 HG23 THR 19 HG23 THR 19 -4.558 -6.726 9.383 133 H GLU 20 H GLU 20 -5.963 -9.131 12.086 134 HA GLU 20 HA GLU 20 -5.207 -11.268 13.958 135 HB2 GLU 20 HB2 GLU 20 -7.908 -10.316 12.969 136 HB3 GLU 20 HB3 GLU 20 -7.648 -11.622 14.138 137 HG2 GLU 20 HG2 GLU 20 -6.403 -9.996 15.599 138 HG3 GLU 20 HG3 GLU 20 -6.835 -8.698 14.476 139 HA PRO 21 HA PRO 21 -4.704 -14.493 11.067 140 HB2 PRO 21 HB2 PRO 21 -6.431 -16.194 12.887 141 HB3 PRO 21 HB3 PRO 21 -4.878 -16.608 12.094 142 HG2 PRO 21 HG2 PRO 21 -4.875 -15.828 14.675 143 HG3 PRO 21 HG3 PRO 21 -3.671 -15.135 13.544 144 HD2 PRO 21 HD2 PRO 21 -6.269 -13.905 14.506 145 HD3 PRO 21 HD3 PRO 21 -4.646 -13.175 14.371 146 H GLY 22 H GLY 22 -5.617 -14.489 9.095 147 HA2 GLY 22 HA2 GLY 22 -7.148 -14.667 7.381 148 HA3 GLY 22 HA3 GLY 22 -8.098 -15.736 8.416 149 H GLN 23 H GLN 23 -7.447 -12.462 9.470 150 HA GLN 23 HA GLN 23 -10.177 -11.500 8.773 151 HB2 GLN 23 HB2 GLN 23 -10.251 -12.734 10.885 152 HB3 GLN 23 HB3 GLN 23 -8.971 -11.721 11.549 153 HG2 GLN 23 HG2 GLN 23 -10.453 -9.732 11.322 154 HG3 GLN 23 HG3 GLN 23 -11.723 -10.757 10.642 155 HE21 GLN 23 HE21 GLN 23 -12.241 -9.217 12.841 156 HE22 GLN 23 HE22 GLN 23 -12.415 -10.219 14.273 157 HA PRO 24 HA PRO 24 -6.743 -8.653 8.036 158 HB2 PRO 24 HB2 PRO 24 -7.470 -7.531 5.658 159 HB3 PRO 24 HB3 PRO 24 -7.024 -9.257 5.816 160 HG2 PRO 24 HG2 PRO 24 -9.814 -8.046 5.864 161 HG3 PRO 24 HG3 PRO 24 -9.214 -9.396 4.845 162 HD2 PRO 24 HD2 PRO 24 -10.540 -9.846 7.172 163 HD3 PRO 24 HD3 PRO 24 -9.186 -10.893 6.650 164 H GLY 25 H GLY 25 -9.433 -7.662 9.479 165 HA2 GLY 25 HA2 GLY 25 -10.014 -5.703 10.560 166 HA3 GLY 25 HA3 GLY 25 -8.392 -5.117 10.187 167 H ILE 26 H ILE 26 -8.705 -3.102 9.486 168 HA ILE 26 HA ILE 26 -10.769 -2.368 7.485 169 HB ILE 26 HB ILE 26 -8.614 -0.678 8.800 170 HG12 ILE 26 HG12 ILE 26 -11.598 -0.873 9.464 171 HG13 ILE 26 HG13 ILE 26 -10.302 -1.558 10.438 172 HG21 ILE 26 HG21 ILE 26 -9.915 1.244 7.953 173 HG22 ILE 26 HG22 ILE 26 -9.444 0.227 6.609 174 HG23 ILE 26 HG23 ILE 26 -11.105 0.149 7.232 175 HD11 ILE 26 HD11 ILE 26 -10.924 0.470 11.487 176 HD12 ILE 26 HD12 ILE 26 -9.342 0.749 10.728 177 HD13 ILE 26 HD13 ILE 26 -10.828 1.388 9.980 178 H GLY 27 H GLY 27 -7.350 -3.202 7.733 179 HA2 GLY 27 HA2 GLY 27 -7.202 -3.459 4.835 180 HA3 GLY 27 HA3 GLY 27 -6.107 -2.255 5.511 181 HA PRO 28 HA PRO 28 -4.932 -6.955 6.187 182 HB2 PRO 28 HB2 PRO 28 -3.726 -7.803 3.855 183 HB3 PRO 28 HB3 PRO 28 -5.485 -7.886 4.158 184 HG2 PRO 28 HG2 PRO 28 -3.953 -5.679 2.730 185 HG3 PRO 28 HG3 PRO 28 -5.382 -6.586 2.133 186 HD2 PRO 28 HD2 PRO 28 -5.721 -4.207 3.304 187 HD3 PRO 28 HD3 PRO 28 -6.819 -5.552 3.732 188 H ASP 29 H ASP 29 -2.854 -8.042 6.267 189 HA ASP 29 HA ASP 29 -0.805 -6.406 7.368 190 HB2 ASP 29 HB2 ASP 29 -1.244 -8.681 8.099 191 HB3 ASP 29 HB3 ASP 29 -0.867 -9.316 6.500 192 H LEU 30 H LEU 30 0.910 -5.462 6.583 193 HA LEU 30 HA LEU 30 1.497 -5.546 3.695 194 HB2 LEU 30 HB2 LEU 30 2.639 -3.831 5.923 195 HB3 LEU 30 HB3 LEU 30 2.850 -3.563 4.196 196 HG LEU 30 HG LEU 30 0.199 -3.375 5.714 197 HD11 LEU 30 HD11 LEU 30 1.960 -1.196 4.519 198 HD12 LEU 30 HD12 LEU 30 1.739 -1.542 6.248 199 HD13 LEU 30 HD13 LEU 30 0.375 -0.965 5.284 200 HD21 LEU 30 HD21 LEU 30 -0.634 -2.336 3.600 201 HD22 LEU 30 HD22 LEU 30 -0.222 -4.042 3.402 202 HD23 LEU 30 HD23 LEU 30 0.890 -2.789 2.800 203 H LEU 31 H LEU 31 2.825 -7.111 6.526 204 HA LEU 31 HA LEU 31 5.598 -7.017 5.689 205 HB2 LEU 31 HB2 LEU 31 4.747 -7.413 7.973 206 HB3 LEU 31 HB3 LEU 31 4.439 -9.089 7.504 207 HG LEU 31 HG LEU 31 7.169 -7.805 7.112 208 HD11 LEU 31 HD11 LEU 31 7.824 -8.647 9.323 209 HD12 LEU 31 HD12 LEU 31 6.140 -9.128 9.643 210 HD13 LEU 31 HD13 LEU 31 6.563 -7.415 9.424 211 HD21 LEU 31 HD21 LEU 31 8.009 -10.108 7.469 212 HD22 LEU 31 HD22 LEU 31 6.906 -10.062 6.104 213 HD23 LEU 31 HD23 LEU 31 6.345 -10.695 7.660 214 H GLY 32 H GLY 32 6.611 -8.107 4.318 215 HA2 GLY 32 HA2 GLY 32 7.236 -9.673 2.697 216 HA3 GLY 32 HA3 GLY 32 5.939 -10.725 3.254 217 H VAL 33 H VAL 33 4.393 -7.809 2.405 218 HA VAL 33 HA VAL 33 3.321 -9.057 0.036 219 HB VAL 33 HB VAL 33 2.151 -7.411 1.604 220 HG11 VAL 33 HG11 VAL 33 3.810 -5.507 1.333 221 HG12 VAL 33 HG12 VAL 33 3.229 -5.313 -0.332 222 HG13 VAL 33 HG13 VAL 33 2.120 -5.083 1.034 223 HG21 VAL 33 HG21 VAL 33 0.649 -6.692 -0.202 224 HG22 VAL 33 HG22 VAL 33 1.865 -7.118 -1.415 225 HG23 VAL 33 HG23 VAL 33 1.133 -8.378 -0.400 226 H THR 34 H THR 34 5.877 -6.759 0.540 227 HA THR 34 HA THR 34 6.454 -5.735 -2.030 228 HB THR 34 HB THR 34 8.844 -5.661 -0.956 229 HG1 THR 34 HG1 THR 34 9.002 -6.851 0.755 230 HG21 THR 34 HG21 THR 34 8.203 -3.907 0.607 231 HG22 THR 34 HG22 THR 34 6.505 -4.434 0.560 232 HG23 THR 34 HG23 THR 34 7.275 -3.751 -0.893 233 H ARG 35 H ARG 35 6.951 -8.925 -0.750 234 HA ARG 35 HA ARG 35 8.416 -9.740 -3.204 235 HB2 ARG 35 HB2 ARG 35 9.502 -11.499 -1.957 236 HB3 ARG 35 HB3 ARG 35 9.865 -9.899 -1.316 237 HG2 ARG 35 HG2 ARG 35 8.292 -10.231 0.544 238 HG3 ARG 35 HG3 ARG 35 7.827 -11.826 -0.102 239 HD2 ARG 35 HD2 ARG 35 10.153 -12.610 0.156 240 HD3 ARG 35 HD3 ARG 35 10.632 -11.001 0.734 241 HE ARG 35 HE ARG 35 8.490 -12.404 2.213 242 HH11 ARG 35 HH11 ARG 35 11.926 -11.479 2.100 243 HH12 ARG 35 HH12 ARG 35 12.179 -11.795 3.801 244 HH21 ARG 35 HH21 ARG 35 8.855 -12.819 4.410 245 HH22 ARG 35 HH22 ARG 35 10.439 -12.564 5.109 246 H GLN 36 H GLN 36 5.500 -9.545 -2.821 247 HA GLN 36 HA GLN 36 4.796 -12.256 -3.806 248 HB2 GLN 36 HB2 GLN 36 4.118 -12.169 -1.509 249 HB3 GLN 36 HB3 GLN 36 3.461 -10.538 -1.678 250 HG2 GLN 36 HG2 GLN 36 1.654 -11.307 -3.050 251 HG3 GLN 36 HG3 GLN 36 2.354 -12.930 -3.151 252 HE21 GLN 36 HE21 GLN 36 0.391 -13.864 -2.263 253 HE22 GLN 36 HE22 GLN 36 0.180 -13.840 -0.517 254 H ARG 37 H ARG 37 3.567 -8.871 -3.498 255 HA ARG 37 HA ARG 37 1.986 -9.136 -5.974 256 HB2 ARG 37 HB2 ARG 37 1.174 -8.026 -3.874 257 HB3 ARG 37 HB3 ARG 37 2.397 -6.798 -4.096 258 HG2 ARG 37 HG2 ARG 37 0.300 -5.909 -4.830 259 HG3 ARG 37 HG3 ARG 37 1.303 -6.123 -6.254 260 HD2 ARG 37 HD2 ARG 37 -0.919 -6.839 -6.796 261 HD3 ARG 37 HD3 ARG 37 0.080 -8.297 -6.708 262 HE ARG 37 HE ARG 37 -1.320 -7.516 -4.236 263 HH11 ARG 37 HH11 ARG 37 -1.491 -9.578 -7.142 264 HH12 ARG 37 HH12 ARG 37 -2.679 -10.648 -6.431 265 HH21 ARG 37 HH21 ARG 37 -2.843 -8.911 -3.363 266 HH22 ARG 37 HH22 ARG 37 -3.447 -10.268 -4.288 267 H ASP 38 H ASP 38 2.247 -7.631 -7.806 268 HA ASP 38 HA ASP 38 4.874 -7.426 -8.793 269 HB2 ASP 38 HB2 ASP 38 2.938 -7.454 -10.233 270 HB3 ASP 38 HB3 ASP 38 2.351 -5.926 -9.575 271 H ALA 39 H ALA 39 6.486 -6.007 -8.685 272 HA ALA 39 HA ALA 39 6.475 -4.187 -6.484 273 HB1 ALA 39 HB1 ALA 39 8.566 -4.649 -8.650 274 HB2 ALA 39 HB2 ALA 39 8.833 -3.893 -7.067 275 HB3 ALA 39 HB3 ALA 39 8.392 -5.606 -7.161 276 H ASN 40 H ASN 40 5.664 -3.602 -9.830 277 HA ASN 40 HA ASN 40 6.189 -0.692 -9.611 278 HB2 ASN 40 HB2 ASN 40 4.942 -2.355 -11.838 279 HB3 ASN 40 HB3 ASN 40 5.255 -0.635 -11.911 280 HD21 ASN 40 HD21 ASN 40 7.516 0.081 -11.917 281 HD22 ASN 40 HD22 ASN 40 8.756 -1.061 -12.426 282 H TRP 41 H TRP 41 3.481 -2.991 -9.865 283 HA TRP 41 HA TRP 41 1.324 -1.183 -9.656 284 HB2 TRP 41 HB2 TRP 41 1.207 -3.599 -10.295 285 HB3 TRP 41 HB3 TRP 41 1.481 -4.032 -8.612 286 HD1 TRP 41 HD1 TRP 41 -1.189 -2.821 -10.990 287 HE1 TRP 41 HE1 TRP 41 -3.502 -2.777 -9.830 288 HE3 TRP 41 HE3 TRP 41 0.300 -3.725 -6.174 289 HZ2 TRP 41 HZ2 TRP 41 -4.506 -2.914 -7.164 290 HZ3 TRP 41 HZ3 TRP 41 -1.365 -3.690 -4.323 291 HH2 TRP 41 HH2 TRP 41 -3.754 -3.233 -4.798 292 H LEU 42 H LEU 42 3.076 -2.881 -6.988 293 HA LEU 42 HA LEU 42 1.528 -2.002 -4.823 294 HB2 LEU 42 HB2 LEU 42 4.495 -2.562 -5.187 295 HB3 LEU 42 HB3 LEU 42 3.898 -2.017 -3.627 296 HG LEU 42 HG LEU 42 2.827 -4.508 -5.013 297 HD11 LEU 42 HD11 LEU 42 5.215 -4.763 -4.495 298 HD12 LEU 42 HD12 LEU 42 4.255 -5.719 -3.365 299 HD13 LEU 42 HD13 LEU 42 4.944 -4.165 -2.839 300 HD21 LEU 42 HD21 LEU 42 2.599 -3.437 -2.163 301 HD22 LEU 42 HD22 LEU 42 2.031 -5.030 -2.694 302 HD23 LEU 42 HD23 LEU 42 1.273 -3.579 -3.344 303 H VAL 43 H VAL 43 4.146 -0.181 -6.401 304 HA VAL 43 HA VAL 43 3.912 2.040 -4.490 305 HB VAL 43 HB VAL 43 5.598 1.842 -7.009 306 HG11 VAL 43 HG11 VAL 43 5.347 4.164 -6.154 307 HG12 VAL 43 HG12 VAL 43 5.853 3.612 -4.541 308 HG13 VAL 43 HG13 VAL 43 6.988 3.562 -5.901 309 HG21 VAL 43 HG21 VAL 43 6.251 1.079 -4.120 310 HG22 VAL 43 HG22 VAL 43 6.259 0.015 -5.542 311 HG23 VAL 43 HG23 VAL 43 7.462 1.292 -5.401 312 H ARG 44 H ARG 44 2.936 1.414 -7.887 313 HA ARG 44 HA ARG 44 1.971 4.067 -8.364 314 HB2 ARG 44 HB2 ARG 44 2.646 2.456 -10.117 315 HB3 ARG 44 HB3 ARG 44 1.282 1.424 -9.706 316 HG2 ARG 44 HG2 ARG 44 0.836 2.756 -11.719 317 HG3 ARG 44 HG3 ARG 44 -0.310 3.130 -10.439 318 HD2 ARG 44 HD2 ARG 44 0.410 5.163 -11.630 319 HD3 ARG 44 HD3 ARG 44 0.858 5.224 -9.929 320 HE ARG 44 HE ARG 44 3.092 5.203 -10.482 321 HH11 ARG 44 HH11 ARG 44 1.250 4.393 -13.432 322 HH12 ARG 44 HH12 ARG 44 2.659 4.517 -14.463 323 HH21 ARG 44 HH21 ARG 44 4.879 5.344 -11.856 324 HH22 ARG 44 HH22 ARG 44 4.706 5.053 -13.573 325 H TRP 45 H TRP 45 0.286 1.061 -7.307 326 HA TRP 45 HA TRP 45 -2.382 1.996 -7.194 327 HB2 TRP 45 HB2 TRP 45 -1.819 -0.333 -6.820 328 HB3 TRP 45 HB3 TRP 45 -0.832 0.068 -5.417 329 HD1 TRP 45 HD1 TRP 45 -1.973 0.060 -3.125 330 HE1 TRP 45 HE1 TRP 45 -4.425 -0.395 -2.303 331 HE3 TRP 45 HE3 TRP 45 -4.480 0.188 -7.589 332 HZ2 TRP 45 HZ2 TRP 45 -7.039 -0.223 -3.343 333 HZ3 TRP 45 HZ3 TRP 45 -6.976 0.052 -7.629 334 HH2 TRP 45 HH2 TRP 45 -8.255 -0.106 -5.521 335 H LEU 46 H LEU 46 0.169 2.214 -4.699 336 HA LEU 46 HA LEU 46 -1.311 3.572 -2.723 337 HB2 LEU 46 HB2 LEU 46 0.796 2.340 -2.478 338 HB3 LEU 46 HB3 LEU 46 1.650 3.547 -3.430 339 HG LEU 46 HG LEU 46 1.434 5.206 -1.673 340 HD11 LEU 46 HD11 LEU 46 0.457 4.604 0.535 341 HD12 LEU 46 HD12 LEU 46 -0.150 3.080 -0.158 342 HD13 LEU 46 HD13 LEU 46 -0.775 4.646 -0.719 343 HD21 LEU 46 HD21 LEU 46 3.239 3.494 -1.618 344 HD22 LEU 46 HD22 LEU 46 2.217 2.458 -0.608 345 HD23 LEU 46 HD23 LEU 46 2.799 4.037 0.010 346 H LYS 47 H LYS 47 -0.099 4.853 -5.702 347 HA LYS 47 HA LYS 47 -0.269 7.695 -4.834 348 HB2 LYS 47 HB2 LYS 47 0.899 6.229 -7.217 349 HB3 LYS 47 HB3 LYS 47 0.650 7.963 -7.257 350 HG2 LYS 47 HG2 LYS 47 2.141 8.337 -5.401 351 HG3 LYS 47 HG3 LYS 47 2.217 6.614 -5.021 352 HD2 LYS 47 HD2 LYS 47 4.282 7.354 -6.137 353 HD3 LYS 47 HD3 LYS 47 3.422 6.122 -7.052 354 HE2 LYS 47 HE2 LYS 47 4.149 7.667 -8.671 355 HE3 LYS 47 HE3 LYS 47 2.424 7.975 -8.479 356 HZ1 LYS 47 HZ1 LYS 47 4.689 9.615 -7.522 357 HZ2 LYS 47 HZ2 LYS 47 3.193 9.836 -6.875 358 HZ3 LYS 47 HZ3 LYS 47 3.443 10.052 -8.483 359 H VAL 48 H VAL 48 -2.411 5.418 -6.310 360 HA VAL 48 HA VAL 48 -4.371 7.522 -6.916 361 HB VAL 48 HB VAL 48 -2.785 7.563 -8.835 362 HG11 VAL 48 HG11 VAL 48 -3.824 4.845 -9.665 363 HG12 VAL 48 HG12 VAL 48 -2.698 5.899 -10.536 364 HG13 VAL 48 HG13 VAL 48 -2.206 5.163 -9.004 365 HG21 VAL 48 HG21 VAL 48 -5.162 8.248 -9.062 366 HG22 VAL 48 HG22 VAL 48 -4.316 7.808 -10.556 367 HG23 VAL 48 HG23 VAL 48 -5.462 6.670 -9.839 368 HA PRO 49 HA PRO 49 -5.503 2.953 -6.156 369 HB2 PRO 49 HB2 PRO 49 -6.583 2.892 -3.643 370 HB3 PRO 49 HB3 PRO 49 -4.825 2.837 -3.958 371 HG2 PRO 49 HG2 PRO 49 -6.504 5.265 -3.269 372 HG3 PRO 49 HG3 PRO 49 -4.967 4.740 -2.514 373 HD2 PRO 49 HD2 PRO 49 -5.021 6.626 -4.476 374 HD3 PRO 49 HD3 PRO 49 -3.711 5.444 -4.373 375 H ASP 50 H ASP 50 -7.739 5.528 -4.859 376 HA ASP 50 HA ASP 50 -10.057 3.968 -5.560 377 HB2 ASP 50 HB2 ASP 50 -11.386 5.784 -4.858 378 HB3 ASP 50 HB3 ASP 50 -10.047 5.631 -3.740 379 H GLN 51 H GLN 51 -8.093 6.163 -7.407 380 HA GLN 51 HA GLN 51 -10.042 6.312 -9.613 381 HB2 GLN 51 HB2 GLN 51 -7.361 7.557 -9.042 382 HB3 GLN 51 HB3 GLN 51 -8.075 7.641 -10.646 383 HG2 GLN 51 HG2 GLN 51 -10.164 8.613 -9.563 384 HG3 GLN 51 HG3 GLN 51 -9.304 8.629 -8.027 385 HE21 GLN 51 HE21 GLN 51 -9.463 10.910 -7.787 386 HE22 GLN 51 HE22 GLN 51 -8.569 12.011 -8.835 387 H MET 52 H MET 52 -7.205 4.321 -8.801 388 HA MET 52 HA MET 52 -7.072 3.001 -11.389 389 HB2 MET 52 HB2 MET 52 -5.286 2.922 -9.571 390 HB3 MET 52 HB3 MET 52 -6.374 1.879 -8.650 391 HG2 MET 52 HG2 MET 52 -4.865 0.432 -9.752 392 HG3 MET 52 HG3 MET 52 -6.394 0.288 -10.584 393 HE1 MET 52 HE1 MET 52 -3.145 2.582 -10.649 394 HE2 MET 52 HE2 MET 52 -2.672 0.870 -10.757 395 HE3 MET 52 HE3 MET 52 -2.399 1.958 -12.136 396 H LEU 53 H LEU 53 -8.903 2.413 -8.345 397 HA LEU 53 HA LEU 53 -10.309 0.123 -9.344 398 HB2 LEU 53 HB2 LEU 53 -10.006 0.993 -6.900 399 HB3 LEU 53 HB3 LEU 53 -11.352 2.070 -7.265 400 HG LEU 53 HG LEU 53 -12.680 -0.038 -7.912 401 HD11 LEU 53 HD11 LEU 53 -10.428 -1.434 -6.379 402 HD12 LEU 53 HD12 LEU 53 -10.727 -1.617 -8.120 403 HD13 LEU 53 HD13 LEU 53 -11.932 -2.176 -6.968 404 HD21 LEU 53 HD21 LEU 53 -13.179 -0.607 -5.563 405 HD22 LEU 53 HD22 LEU 53 -13.034 1.144 -5.789 406 HD23 LEU 53 HD23 LEU 53 -11.701 0.230 -5.038 407 H ALA 54 H ALA 54 -11.074 3.640 -9.510 408 HA ALA 54 HA ALA 54 -13.541 3.274 -10.939 409 HB1 ALA 54 HB1 ALA 54 -11.686 5.680 -10.911 410 HB2 ALA 54 HB2 ALA 54 -13.402 5.656 -11.349 411 HB3 ALA 54 HB3 ALA 54 -12.923 5.325 -9.678 412 H GLU 55 H GLU 55 -10.168 3.406 -12.116 413 HA GLU 55 HA GLU 55 -10.821 3.354 -14.928 414 HB2 GLU 55 HB2 GLU 55 -8.626 3.950 -14.255 415 HB3 GLU 55 HB3 GLU 55 -8.388 2.465 -13.339 416 HG2 GLU 55 HG2 GLU 55 -8.298 1.128 -15.341 417 HG3 GLU 55 HG3 GLU 55 -8.778 2.485 -16.348 418 H LYS 56 H LYS 56 -11.425 1.053 -12.473 419 HA LYS 56 HA LYS 56 -11.867 -1.149 -12.351 420 HB2 LYS 56 HB2 LYS 56 -13.120 -0.605 -15.061 421 HB3 LYS 56 HB3 LYS 56 -13.291 -2.132 -14.184 422 HG2 LYS 56 HG2 LYS 56 -14.272 -0.984 -12.257 423 HG3 LYS 56 HG3 LYS 56 -14.101 0.586 -13.056 424 HD2 LYS 56 HD2 LYS 56 -15.714 0.003 -14.744 425 HD3 LYS 56 HD3 LYS 56 -15.713 -1.693 -14.259 426 HE2 LYS 56 HE2 LYS 56 -17.759 -0.601 -13.513 427 HE3 LYS 56 HE3 LYS 56 -16.805 -1.177 -12.142 428 HZ1 LYS 56 HZ1 LYS 56 -16.087 1.049 -11.713 429 HZ2 LYS 56 HZ2 LYS 56 -17.704 1.070 -11.790 430 HZ3 LYS 56 HZ3 LYS 56 -16.840 1.642 -13.071 431 H ASP 57 H ASP 57 -9.390 -0.709 -12.671 432 HA ASP 57 HA ASP 57 -8.057 -2.422 -14.651 433 HB2 ASP 57 HB2 ASP 57 -7.106 -0.230 -13.731 434 HB3 ASP 57 HB3 ASP 57 -6.867 -1.070 -12.211 435 HA PRO 58 HA PRO 58 -10.032 -5.243 -12.268 436 HB2 PRO 58 HB2 PRO 58 -9.478 -7.598 -13.527 437 HB3 PRO 58 HB3 PRO 58 -10.325 -6.175 -14.239 438 HG2 PRO 58 HG2 PRO 58 -7.337 -6.690 -14.508 439 HG3 PRO 58 HG3 PRO 58 -8.548 -6.623 -15.852 440 HD2 PRO 58 HD2 PRO 58 -7.190 -4.471 -15.073 441 HD3 PRO 58 HD3 PRO 58 -8.961 -4.327 -15.320 442 H LEU 59 H LEU 59 -6.618 -5.741 -12.303 443 HA LEU 59 HA LEU 59 -6.215 -7.767 -10.402 444 HB2 LEU 59 HB2 LEU 59 -4.549 -6.193 -11.747 445 HB3 LEU 59 HB3 LEU 59 -4.577 -5.212 -10.305 446 HG LEU 59 HG LEU 59 -2.631 -6.640 -10.408 447 HD11 LEU 59 HD11 LEU 59 -4.412 -7.699 -8.194 448 HD12 LEU 59 HD12 LEU 59 -3.547 -6.142 -8.152 449 HD13 LEU 59 HD13 LEU 59 -2.650 -7.673 -8.232 450 HD21 LEU 59 HD21 LEU 59 -2.680 -9.043 -10.334 451 HD22 LEU 59 HD22 LEU 59 -3.651 -8.508 -11.714 452 HD23 LEU 59 HD23 LEU 59 -4.447 -9.074 -10.232 453 H ALA 60 H ALA 60 -6.861 -4.275 -9.683 454 HA ALA 60 HA ALA 60 -7.006 -4.686 -6.828 455 HB1 ALA 60 HB1 ALA 60 -7.991 -2.491 -6.779 456 HB2 ALA 60 HB2 ALA 60 -6.597 -2.482 -7.885 457 HB3 ALA 60 HB3 ALA 60 -8.248 -2.500 -8.539 458 H MET 61 H MET 61 -9.507 -4.590 -9.374 459 HA MET 61 HA MET 61 -11.845 -4.683 -7.762 460 HB2 MET 61 HB2 MET 61 -11.449 -6.016 -10.470 461 HB3 MET 61 HB3 MET 61 -12.964 -5.486 -9.762 462 HG2 MET 61 HG2 MET 61 -10.712 -3.598 -10.565 463 HG3 MET 61 HG3 MET 61 -12.028 -4.066 -11.625 464 HE1 MET 61 HE1 MET 61 -14.402 -3.409 -11.486 465 HE2 MET 61 HE2 MET 61 -14.663 -4.025 -9.839 466 HE3 MET 61 HE3 MET 61 -15.147 -2.365 -10.246 467 H LEU 62 H LEU 62 -9.737 -7.301 -8.895 468 HA LEU 62 HA LEU 62 -11.271 -9.513 -7.850 469 HB2 LEU 62 HB2 LEU 62 -8.379 -9.016 -8.563 470 HB3 LEU 62 HB3 LEU 62 -8.916 -10.579 -7.980 471 HG LEU 62 HG LEU 62 -10.094 -9.279 -10.481 472 HD11 LEU 62 HD11 LEU 62 -7.936 -11.418 -10.243 473 HD12 LEU 62 HD12 LEU 62 -7.688 -9.739 -10.782 474 HD13 LEU 62 HD13 LEU 62 -8.683 -10.841 -11.748 475 HD21 LEU 62 HD21 LEU 62 -11.563 -10.981 -9.469 476 HD22 LEU 62 HD22 LEU 62 -10.211 -12.132 -9.404 477 HD23 LEU 62 HD23 LEU 62 -10.855 -11.587 -10.966 478 H LEU 63 H LEU 63 -8.669 -7.439 -6.401 479 HA LEU 63 HA LEU 63 -8.362 -9.459 -4.254 480 HB2 LEU 63 HB2 LEU 63 -6.334 -8.590 -3.773 481 HB3 LEU 63 HB3 LEU 63 -6.477 -8.458 -5.512 482 HG LEU 63 HG LEU 63 -7.259 -5.971 -4.967 483 HD11 LEU 63 HD11 LEU 63 -5.435 -6.528 -2.601 484 HD12 LEU 63 HD12 LEU 63 -7.196 -6.471 -2.435 485 HD13 LEU 63 HD13 LEU 63 -6.309 -5.035 -2.985 486 HD21 LEU 63 HD21 LEU 63 -4.372 -6.910 -4.680 487 HD22 LEU 63 HD22 LEU 63 -4.902 -5.254 -5.063 488 HD23 LEU 63 HD23 LEU 63 -5.219 -6.568 -6.203 489 H PHE 64 H PHE 64 -9.772 -6.298 -4.616 490 HA PHE 64 HA PHE 64 -9.751 -5.769 -1.763 491 HB2 PHE 64 HB2 PHE 64 -10.451 -3.719 -2.192 492 HB3 PHE 64 HB3 PHE 64 -9.966 -4.102 -3.824 493 HD1 PHE 64 HD2 PHE 64 -11.762 -4.638 -5.544 494 HD2 PHE 64 HD1 PHE 64 -12.721 -3.303 -1.570 495 HE1 PHE 64 HE2 PHE 64 -14.049 -4.015 -6.305 496 HE2 PHE 64 HE1 PHE 64 -15.003 -2.668 -2.326 497 HZ PHE 64 HZ PHE 64 -15.667 -3.029 -4.701 498 H GLU 65 H GLU 65 -12.370 -6.967 -3.882 499 HA GLU 65 HA GLU 65 -14.349 -7.157 -1.848 500 HB2 GLU 65 HB2 GLU 65 -14.065 -8.913 -4.319 501 HB3 GLU 65 HB3 GLU 65 -15.506 -8.708 -3.313 502 HG2 GLU 65 HG2 GLU 65 -15.319 -6.184 -3.867 503 HG3 GLU 65 HG3 GLU 65 -14.209 -6.682 -5.147 504 H GLN 66 H GLN 66 -11.536 -9.114 -2.233 505 HA GLN 66 HA GLN 66 -12.699 -11.362 -0.712 506 HB2 GLN 66 HB2 GLN 66 -10.108 -10.936 -2.265 507 HB3 GLN 66 HB3 GLN 66 -10.330 -12.363 -1.273 508 HG2 GLN 66 HG2 GLN 66 -12.139 -11.555 -3.598 509 HG3 GLN 66 HG3 GLN 66 -10.811 -12.706 -3.688 510 HE21 GLN 66 HE21 GLN 66 -13.401 -13.421 -4.446 511 HE22 GLN 66 HE22 GLN 66 -13.951 -14.657 -3.323 512 H TYR 67 H TYR 67 -10.932 -8.572 0.092 513 HA TYR 67 HA TYR 67 -9.902 -9.870 2.579 514 HB2 TYR 67 HB2 TYR 67 -9.568 -7.081 1.444 515 HB3 TYR 67 HB3 TYR 67 -9.096 -7.520 3.078 516 HD1 TYR 67 HD2 TYR 67 -7.646 -9.838 3.208 517 HD2 TYR 67 HD1 TYR 67 -7.820 -7.130 -0.149 518 HE1 TYR 67 HE2 TYR 67 -5.409 -10.603 2.476 519 HE2 TYR 67 HE1 TYR 67 -5.554 -7.888 -0.852 520 HH TYR 67 HH TYR 67 -3.697 -9.015 -0.231 521 H ASN 68 H ASN 68 -11.859 -6.948 1.870 522 HA ASN 68 HA ASN 68 -13.825 -7.677 3.937 523 HB2 ASN 68 HB2 ASN 68 -13.296 -5.713 5.328 524 HB3 ASN 68 HB3 ASN 68 -11.912 -6.784 5.219 525 HD21 ASN 68 HD21 ASN 68 -11.119 -4.527 6.098 526 HD22 ASN 68 HD22 ASN 68 -10.472 -3.473 4.843 527 H ARG 69 H ARG 69 -13.798 -6.838 0.943 528 HA ARG 69 HA ARG 69 -14.966 -5.427 -0.464 529 HB2 ARG 69 HB2 ARG 69 -16.739 -6.471 1.662 530 HB3 ARG 69 HB3 ARG 69 -17.452 -5.116 0.847 531 HG2 ARG 69 HG2 ARG 69 -16.293 -7.517 -0.619 532 HG3 ARG 69 HG3 ARG 69 -17.972 -7.407 -0.093 533 HD2 ARG 69 HD2 ARG 69 -16.647 -5.446 -2.015 534 HD3 ARG 69 HD3 ARG 69 -17.677 -6.814 -2.467 535 HE ARG 69 HE ARG 69 -18.936 -5.032 -0.559 536 HH11 ARG 69 HH11 ARG 69 -18.385 -5.534 -4.046 537 HH12 ARG 69 HH12 ARG 69 -19.790 -4.596 -4.505 538 HH21 ARG 69 HH21 ARG 69 -20.733 -3.840 -1.189 539 HH22 ARG 69 HH22 ARG 69 -21.123 -3.634 -2.882 540 H LEU 70 H LEU 70 -13.247 -3.839 1.286 541 HA LEU 70 HA LEU 70 -14.745 -1.245 1.307 542 HB2 LEU 70 HB2 LEU 70 -14.154 -2.095 3.547 543 HB3 LEU 70 HB3 LEU 70 -12.467 -2.233 3.055 544 HG LEU 70 HG LEU 70 -12.305 0.217 2.796 545 HD11 LEU 70 HD11 LEU 70 -14.114 1.650 3.749 546 HD12 LEU 70 HD12 LEU 70 -15.154 0.218 3.882 547 HD13 LEU 70 HD13 LEU 70 -14.643 0.815 2.289 548 HD21 LEU 70 HD21 LEU 70 -12.394 0.754 5.183 549 HD22 LEU 70 HD22 LEU 70 -11.727 -0.868 4.927 550 HD23 LEU 70 HD23 LEU 70 -13.403 -0.679 5.489 551 H ALA 71 H ALA 71 -13.932 0.439 0.139 552 HA ALA 71 HA ALA 71 -11.536 0.033 -1.482 553 HB1 ALA 71 HB1 ALA 71 -12.160 2.196 -2.472 554 HB2 ALA 71 HB2 ALA 71 -13.540 1.080 -2.415 555 HB3 ALA 71 HB3 ALA 71 -13.420 2.406 -1.232 556 H MET 72 H MET 72 -9.657 1.249 -1.499 557 HA MET 72 HA MET 72 -8.917 2.744 0.957 558 HB2 MET 72 HB2 MET 72 -7.446 0.933 0.461 559 HB3 MET 72 HB3 MET 72 -7.291 1.422 -1.230 560 HG2 MET 72 HG2 MET 72 -6.041 3.377 -0.657 561 HG3 MET 72 HG3 MET 72 -6.364 3.173 1.068 562 HE1 MET 72 HE1 MET 72 -3.622 3.430 -1.007 563 HE2 MET 72 HE2 MET 72 -3.566 3.816 0.731 564 HE3 MET 72 HE3 MET 72 -2.435 2.629 0.039 565 HA PRO 73 HA PRO 73 -9.256 6.361 -1.826 566 HB2 PRO 73 HB2 PRO 73 -9.142 8.345 -0.015 567 HB3 PRO 73 HB3 PRO 73 -10.563 7.260 -0.102 568 HG2 PRO 73 HG2 PRO 73 -8.189 7.075 1.788 569 HG3 PRO 73 HG3 PRO 73 -9.933 7.005 2.196 570 HD2 PRO 73 HD2 PRO 73 -8.359 4.770 1.811 571 HD3 PRO 73 HD3 PRO 73 -10.113 4.793 1.443 572 H ASN 74 H ASN 74 -7.801 8.149 -2.476 573 HA ASN 74 HA ASN 74 -4.990 7.500 -2.141 574 HB2 ASN 74 HB2 ASN 74 -6.021 8.432 -4.236 575 HB3 ASN 74 HB3 ASN 74 -6.199 9.969 -3.453 576 HD21 ASN 74 HD21 ASN 74 -4.755 10.033 -5.696 577 HD22 ASN 74 HD22 ASN 74 -3.034 10.124 -5.325 578 H MET 75 H MET 75 -3.679 8.086 -0.541 579 HA MET 75 HA MET 75 -4.421 10.022 1.510 580 HB2 MET 75 HB2 MET 75 -1.854 8.491 0.935 581 HB3 MET 75 HB3 MET 75 -2.101 9.507 2.356 582 HG2 MET 75 HG2 MET 75 -3.691 7.024 1.614 583 HG3 MET 75 HG3 MET 75 -2.463 7.142 2.868 584 HE1 MET 75 HE1 MET 75 -4.183 9.232 5.675 585 HE2 MET 75 HE2 MET 75 -2.704 8.446 5.099 586 HE3 MET 75 HE3 MET 75 -3.240 9.980 4.371 587 H ARG 76 H ARG 76 -2.920 10.353 -1.541 588 HA ARG 76 HA ARG 76 -1.765 11.914 -2.640 589 HB2 ARG 76 HB2 ARG 76 -3.168 13.849 -0.771 590 HB3 ARG 76 HB3 ARG 76 -2.250 14.297 -2.214 591 HG2 ARG 76 HG2 ARG 76 -3.777 12.838 -3.597 592 HG3 ARG 76 HG3 ARG 76 -4.744 12.544 -2.143 593 HD2 ARG 76 HD2 ARG 76 -5.801 14.294 -3.423 594 HD3 ARG 76 HD3 ARG 76 -5.138 15.008 -1.943 595 HE ARG 76 HE ARG 76 -3.232 15.181 -4.076 596 HH11 ARG 76 HH11 ARG 76 -6.280 16.698 -3.008 597 HH12 ARG 76 HH12 ARG 76 -5.921 18.215 -3.803 598 HH21 ARG 76 HH21 ARG 76 -2.811 17.161 -5.086 599 HH22 ARG 76 HH22 ARG 76 -3.959 18.476 -4.979 600 H LEU 77 H LEU 77 -0.040 10.683 -1.581 601 HA LEU 77 HA LEU 77 1.810 12.265 0.118 602 HB2 LEU 77 HB2 LEU 77 2.102 9.492 -1.078 603 HB3 LEU 77 HB3 LEU 77 3.136 10.223 0.147 604 HG LEU 77 HG LEU 77 0.231 9.367 0.479 605 HD11 LEU 77 HD11 LEU 77 2.813 8.294 1.679 606 HD12 LEU 77 HD12 LEU 77 1.825 7.513 0.421 607 HD13 LEU 77 HD13 LEU 77 1.170 7.726 2.053 608 HD21 LEU 77 HD21 LEU 77 2.098 10.592 2.545 609 HD22 LEU 77 HD22 LEU 77 0.502 9.878 2.875 610 HD23 LEU 77 HD23 LEU 77 0.623 11.336 1.892 611 H GLY 78 H GLY 78 4.014 12.577 -0.517 612 HA2 GLY 78 HA2 GLY 78 4.431 13.262 -3.380 613 HA3 GLY 78 HA3 GLY 78 5.499 13.649 -2.037 614 H ASP 79 H ASP 79 6.341 12.525 -4.555 615 HA ASP 79 HA ASP 79 6.480 9.689 -4.581 616 HB2 ASP 79 HB2 ASP 79 8.100 11.853 -5.952 617 HB3 ASP 79 HB3 ASP 79 8.506 10.148 -6.145 618 H ALA 80 H ALA 80 8.907 11.986 -3.187 619 HA ALA 80 HA ALA 80 10.738 9.819 -2.542 620 HB1 ALA 80 HB1 ALA 80 12.020 11.584 -1.411 621 HB2 ALA 80 HB2 ALA 80 11.510 12.099 -3.027 622 HB3 ALA 80 HB3 ALA 80 10.656 12.710 -1.591 623 H GLU 81 H GLU 81 8.033 11.281 -0.862 624 HA GLU 81 HA GLU 81 8.591 10.254 1.814 625 HB2 GLU 81 HB2 GLU 81 7.262 12.158 1.790 626 HB3 GLU 81 HB3 GLU 81 6.416 11.705 0.321 627 HG2 GLU 81 HG2 GLU 81 5.096 10.049 1.515 628 HG3 GLU 81 HG3 GLU 81 5.945 10.428 3.025 629 H VAL 82 H VAL 82 6.631 9.257 -1.032 630 HA VAL 82 HA VAL 82 5.820 6.704 0.023 631 HB VAL 82 HB VAL 82 6.201 7.691 -2.825 632 HG11 VAL 82 HG11 VAL 82 5.029 5.056 -1.841 633 HG12 VAL 82 HG12 VAL 82 4.837 5.703 -3.491 634 HG13 VAL 82 HG13 VAL 82 6.441 5.266 -2.905 635 HG21 VAL 82 HG21 VAL 82 3.748 7.727 -2.840 636 HG22 VAL 82 HG22 VAL 82 3.704 7.113 -1.172 637 HG23 VAL 82 HG23 VAL 82 4.356 8.726 -1.518 638 H SER 83 H SER 83 8.736 7.554 -2.012 639 HA SER 83 HA SER 83 9.872 5.027 -2.133 640 HB2 SER 83 HB2 SER 83 11.315 7.691 -1.750 641 HB3 SER 83 HB3 SER 83 12.095 6.186 -2.248 642 HG SER 83 HG SER 83 11.350 7.770 -3.940 643 H ALA 84 H ALA 84 10.228 7.300 0.651 644 HA ALA 84 HA ALA 84 11.987 5.602 2.181 645 HB1 ALA 84 HB1 ALA 84 10.044 7.813 2.959 646 HB2 ALA 84 HB2 ALA 84 11.182 7.038 4.088 647 HB3 ALA 84 HB3 ALA 84 11.790 7.953 2.703 648 H LEU 85 H LEU 85 8.397 5.867 2.082 649 HA LEU 85 HA LEU 85 7.966 3.906 4.135 650 HB2 LEU 85 HB2 LEU 85 6.383 5.689 3.460 651 HB3 LEU 85 HB3 LEU 85 6.144 4.890 1.908 652 HG LEU 85 HG LEU 85 5.157 2.924 3.048 653 HD11 LEU 85 HD11 LEU 85 5.472 4.573 5.599 654 HD12 LEU 85 HD12 LEU 85 6.296 3.043 5.240 655 HD13 LEU 85 HD13 LEU 85 4.543 3.064 5.438 656 HD21 LEU 85 HD21 LEU 85 3.709 4.759 2.324 657 HD22 LEU 85 HD22 LEU 85 3.962 5.604 3.865 658 HD23 LEU 85 HD23 LEU 85 3.111 4.051 3.844 659 H ILE 86 H ILE 86 8.400 3.603 0.630 660 HA ILE 86 HA ILE 86 7.748 0.794 0.369 661 HB ILE 86 HB ILE 86 9.831 2.309 -1.234 662 HG12 ILE 86 HG12 ILE 86 7.976 3.567 -1.807 663 HG13 ILE 86 HG13 ILE 86 7.963 2.341 -3.013 664 HG21 ILE 86 HG21 ILE 86 8.242 -0.212 -1.864 665 HG22 ILE 86 HG22 ILE 86 9.419 0.590 -2.927 666 HG23 ILE 86 HG23 ILE 86 9.960 -0.154 -1.428 667 HD11 ILE 86 HD11 ILE 86 6.196 1.099 -1.650 668 HD12 ILE 86 HD12 ILE 86 6.134 2.523 -0.583 669 HD13 ILE 86 HD13 ILE 86 5.702 2.679 -2.286 670 H SER 87 H SER 87 10.756 2.581 1.170 671 HA SER 87 HA SER 87 12.344 0.219 1.593 672 HB2 SER 87 HB2 SER 87 13.029 2.746 1.187 673 HB3 SER 87 HB3 SER 87 13.054 2.805 2.953 674 HG SER 87 HG SER 87 14.659 1.231 2.964 675 H TYR 88 H TYR 88 10.114 1.980 3.785 676 HA TYR 88 HA TYR 88 11.067 0.513 6.135 677 HB2 TYR 88 HB2 TYR 88 9.903 2.442 6.594 678 HB3 TYR 88 HB3 TYR 88 8.534 2.028 5.554 679 HD1 TYR 88 HD1 TYR 88 10.382 0.663 8.562 680 HD2 TYR 88 HD2 TYR 88 6.579 1.310 6.640 681 HE1 TYR 88 HE1 TYR 88 9.214 -0.273 10.546 682 HE2 TYR 88 HE2 TYR 88 5.417 0.386 8.637 683 HH TYR 88 HH TYR 88 7.180 -0.686 11.546 684 H LEU 89 H LEU 89 8.334 -0.109 3.842 685 HA LEU 89 HA LEU 89 7.579 -2.597 5.056 686 HB2 LEU 89 HB2 LEU 89 7.165 -1.261 2.387 687 HB3 LEU 89 HB3 LEU 89 6.872 -2.991 2.492 688 HG LEU 89 HG LEU 89 5.200 -2.751 4.185 689 HD11 LEU 89 HD11 LEU 89 4.353 -0.541 4.927 690 HD12 LEU 89 HD12 LEU 89 5.729 0.247 4.120 691 HD13 LEU 89 HD13 LEU 89 5.990 -0.854 5.496 692 HD21 LEU 89 HD21 LEU 89 3.512 -1.522 2.868 693 HD22 LEU 89 HD22 LEU 89 4.555 -2.492 1.819 694 HD23 LEU 89 HD23 LEU 89 4.803 -0.733 1.935 695 H GLU 90 H GLU 90 9.909 -1.980 2.389 696 HA GLU 90 HA GLU 90 10.719 -4.674 2.022 697 HB2 GLU 90 HB2 GLU 90 11.097 -2.814 0.446 698 HB3 GLU 90 HB3 GLU 90 12.240 -2.073 1.578 699 HG2 GLU 90 HG2 GLU 90 13.747 -4.008 1.356 700 HG3 GLU 90 HG3 GLU 90 12.567 -4.827 0.325 701 H GLU 91 H GLU 91 12.323 -2.142 4.114 702 HA GLU 91 HA GLU 91 14.325 -4.098 4.945 703 HB2 GLU 91 HB2 GLU 91 13.814 -1.267 5.919 704 HB3 GLU 91 HB3 GLU 91 15.164 -2.295 6.397 705 HG2 GLU 91 HG2 GLU 91 15.964 -2.453 4.097 706 HG3 GLU 91 HG3 GLU 91 14.607 -1.482 3.520 707 H GLU 92 H GLU 92 11.299 -2.888 6.459 708 HA GLU 92 HA GLU 92 11.873 -4.246 8.987 709 HB2 GLU 92 HB2 GLU 92 10.212 -2.304 8.599 710 HB3 GLU 92 HB3 GLU 92 9.134 -3.533 7.932 711 HG2 GLU 92 HG2 GLU 92 8.457 -3.354 10.146 712 HG3 GLU 92 HG3 GLU 92 9.472 -4.789 10.180 713 H THR 93 H THR 93 10.168 -5.194 5.930 714 HA THR 93 HA THR 93 9.546 -7.875 6.762 715 HB THR 93 HB THR 93 10.274 -6.789 4.016 716 HG1 THR 93 HG1 THR 93 8.421 -5.983 4.496 717 HG21 THR 93 HG21 THR 93 9.195 -8.772 3.084 718 HG22 THR 93 HG22 THR 93 9.026 -9.479 4.717 719 HG23 THR 93 HG23 THR 93 10.632 -9.225 3.989 720 H ALA 94 H ALA 94 12.603 -6.509 5.403 721 HA ALA 94 HA ALA 94 13.972 -8.983 5.265 722 HB1 ALA 94 HB1 ALA 94 15.138 -6.201 5.694 723 HB2 ALA 94 HB2 ALA 94 15.985 -7.613 5.050 724 HB3 ALA 94 HB3 ALA 94 14.665 -6.886 4.123 725 H ARG 95 H ARG 95 13.313 -7.055 8.121 726 HA ARG 95 HA ARG 95 15.260 -8.648 9.742 727 HB2 ARG 95 HB2 ARG 95 13.866 -6.030 10.362 728 HB3 ARG 95 HB3 ARG 95 14.928 -6.915 11.467 729 HG2 ARG 95 HG2 ARG 95 16.740 -6.762 9.650 730 HG3 ARG 95 HG3 ARG 95 15.695 -5.587 8.840 731 HD2 ARG 95 HD2 ARG 95 16.886 -5.391 11.631 732 HD3 ARG 95 HD3 ARG 95 17.355 -4.439 10.218 733 HE ARG 95 HE ARG 95 14.863 -3.649 10.312 734 HH11 ARG 95 HH11 ARG 95 16.925 -4.228 13.167 735 HH12 ARG 95 HH12 ARG 95 16.040 -3.092 14.162 736 HH21 ARG 95 HH21 ARG 95 13.754 -2.195 11.634 737 HH22 ARG 95 HH22 ARG 95 14.249 -1.943 13.293 738 H LEU 96 H LEU 96 11.793 -7.823 9.650 739 HA LEU 96 HA LEU 96 11.293 -9.340 12.139 740 HB2 LEU 96 HB2 LEU 96 9.661 -7.328 10.568 741 HB3 LEU 96 HB3 LEU 96 8.958 -8.298 11.789 742 HG LEU 96 HG LEU 96 9.465 -6.019 12.476 743 HD11 LEU 96 HD11 LEU 96 9.073 -7.844 14.018 744 HD12 LEU 96 HD12 LEU 96 10.248 -6.691 14.688 745 HD13 LEU 96 HD13 LEU 96 10.802 -8.255 14.031 746 HD21 LEU 96 HD21 LEU 96 11.651 -5.862 11.357 747 HD22 LEU 96 HD22 LEU 96 12.313 -6.997 12.571 748 HD23 LEU 96 HD23 LEU 96 11.705 -5.401 13.079 749 H GLN 97 H GLN 97 11.446 -10.284 9.003 750 HA GLN 97 HA GLN 97 9.234 -11.984 8.595 751 HB2 GLN 97 HB2 GLN 97 10.904 -13.348 7.268 752 HB3 GLN 97 HB3 GLN 97 10.744 -11.653 6.826 753 HG2 GLN 97 HG2 GLN 97 12.866 -11.107 7.957 754 HG3 GLN 97 HG3 GLN 97 12.991 -12.737 8.591 755 HE21 GLN 97 HE21 GLN 97 15.186 -12.383 7.448 756 HE22 GLN 97 HE22 GLN 97 15.234 -12.875 5.751 757 H THR 98 H THR 98 11.773 -12.366 10.938 758 HA THR 98 HA THR 98 12.435 -14.076 12.308 759 HB THR 98 HB THR 98 9.463 -14.002 12.892 760 HG1 THR 98 HG1 THR 98 9.844 -12.158 13.960 761 HG21 THR 98 HG21 THR 98 10.298 -13.983 15.281 762 HG22 THR 98 HG22 THR 98 11.930 -14.334 14.671 763 HG23 THR 98 HG23 THR 98 10.604 -15.501 14.451 764 HA PRO 99 HA PRO 99 10.915 -17.905 10.032 765 HB2 PRO 99 HB2 PRO 99 12.901 -18.500 8.313 766 HB3 PRO 99 HB3 PRO 99 11.782 -17.148 7.977 767 HG2 PRO 99 HG2 PRO 99 14.495 -16.972 9.354 768 HG3 PRO 99 HG3 PRO 99 13.965 -16.084 7.883 769 HD2 PRO 99 HD2 PRO 99 13.756 -14.976 10.359 770 HD3 PRO 99 HD3 PRO 99 12.484 -14.762 9.115 771 H VAL 100 H VAL 100 12.155 -17.523 12.625 772 HA VAL 100 HA VAL 100 14.453 -19.329 12.865 773 HB VAL 100 HB VAL 100 14.220 -17.026 13.865 774 HG11 VAL 100 HG11 VAL 100 11.910 -17.356 14.815 775 HG12 VAL 100 HG12 VAL 100 12.637 -18.373 16.074 776 HG13 VAL 100 HG13 VAL 100 13.101 -16.674 15.931 777 HG21 VAL 100 HG21 VAL 100 16.028 -18.521 14.497 778 HG22 VAL 100 HG22 VAL 100 15.496 -17.517 15.856 779 HG23 VAL 100 HG23 VAL 100 15.022 -19.222 15.784 780 H THR 101 H THR 101 11.802 -20.414 12.199 781 HA THR 101 HA THR 101 10.208 -21.890 12.702 782 HB THR 101 HB THR 101 11.977 -23.349 14.646 783 HG1 THR 101 HG1 THR 101 12.168 -23.331 11.827 784 HG21 THR 101 HG21 THR 101 11.069 -25.333 13.423 785 HG22 THR 101 HG22 THR 101 10.125 -24.258 12.376 786 HG23 THR 101 HG23 THR 101 9.761 -24.372 14.104 787 H ASN 102 H ASN 102 10.437 -19.481 14.414 788 HA ASN 102 HA ASN 102 8.257 -20.080 16.213 789 HB2 ASN 102 HB2 ASN 102 10.121 -20.859 17.643 790 HB3 ASN 102 HB3 ASN 102 10.934 -19.305 17.441 791 HD21 ASN 102 HD21 ASN 102 10.867 -18.649 19.579 792 HD22 ASN 102 HD22 ASN 102 9.361 -18.214 20.376 793 H ARG 103 H ARG 103 7.417 -18.551 14.675 794 HA ARG 103 HA ARG 103 8.139 -15.681 15.068 795 HB2 ARG 103 HB2 ARG 103 7.927 -16.551 12.788 796 HB3 ARG 103 HB3 ARG 103 6.265 -17.056 13.105 797 HG2 ARG 103 HG2 ARG 103 5.535 -14.759 13.343 798 HG3 ARG 103 HG3 ARG 103 7.204 -14.160 13.306 799 HD2 ARG 103 HD2 ARG 103 7.442 -14.873 10.980 800 HD3 ARG 103 HD3 ARG 103 5.835 -15.629 11.014 801 HE ARG 103 HE ARG 103 5.513 -12.939 11.775 802 HH11 ARG 103 HH11 ARG 103 6.466 -14.720 8.837 803 HH12 ARG 103 HH12 ARG 103 5.780 -13.520 7.765 804 HH21 ARG 103 HH21 ARG 103 4.632 -11.422 10.358 805 HH22 ARG 103 HH22 ARG 103 4.743 -11.652 8.628 806 H GLY 104 H GLY 104 5.735 -18.020 16.060 807 HA2 GLY 104 HA2 GLY 104 3.527 -16.317 16.584 808 HA3 GLY 104 HA3 GLY 104 3.847 -17.865 17.364 809 H ILE 105 H ILE 105 2.588 -15.857 18.704 810 HA ILE 105 HA ILE 105 4.580 -14.825 20.678 811 HB ILE 105 HB ILE 105 1.977 -13.580 19.757 812 HG12 ILE 105 HG12 ILE 105 4.890 -12.661 19.525 813 HG13 ILE 105 HG13 ILE 105 3.929 -13.318 18.203 814 HG21 ILE 105 HG21 ILE 105 3.947 -12.634 21.890 815 HG22 ILE 105 HG22 ILE 105 2.507 -11.758 21.335 816 HG23 ILE 105 HG23 ILE 105 2.315 -13.260 22.211 817 HD11 ILE 105 HD11 ILE 105 3.448 -10.674 19.611 818 HD12 ILE 105 HD12 ILE 105 3.982 -10.953 17.950 819 HD13 ILE 105 HD13 ILE 105 2.335 -11.407 18.424 820 HA PRO 106 HA PRO 106 2.257 -17.756 23.153 821 HB2 PRO 106 HB2 PRO 106 3.720 -17.767 25.427 822 HB3 PRO 106 HB3 PRO 106 4.323 -18.409 23.873 823 HG2 PRO 106 HG2 PRO 106 4.874 -15.680 25.077 824 HG3 PRO 106 HG3 PRO 106 6.042 -16.845 24.378 825 HD2 PRO 106 HD2 PRO 106 4.990 -14.740 22.962 826 HD3 PRO 106 HD3 PRO 106 5.426 -16.295 22.197 827 HHA HEC 107 HHA HEC 107 -4.737 -3.849 0.263 828 HHB HEC 107 HHB HEC 107 0.510 -0.221 0.979 829 HHC HEC 107 HHC HEC 107 -3.033 4.182 4.166 830 HHD HEC 107 HHD HEC 107 -8.206 0.418 3.629 831 HMA1 HEC 107 HMA1 HEC 107 1.119 -2.388 0.361 832 HMA2 HEC 107 HMA2 HEC 107 0.432 -3.713 -0.575 833 HMA3 HEC 107 HMA3 HEC 107 0.536 -2.092 -1.296 834 HAA1 HEC 107 HAA1 HEC 107 -3.253 -4.184 -1.526 835 HAA2 HEC 107 HAA2 HEC 107 -1.530 -4.183 -1.756 836 HBA1 HEC 107 HBA1 HEC 107 -1.311 -5.653 0.311 837 HBA2 HEC 107 HBA2 HEC 107 -3.071 -5.759 0.347 838 HMB1 HEC 107 HMB1 HEC 107 1.953 1.920 3.297 839 HMB2 HEC 107 HMB2 HEC 107 1.872 1.293 1.652 840 HMB3 HEC 107 HMB3 HEC 107 1.829 3.021 1.920 841 HAB HEC 107 HAB HEC 107 -1.109 4.491 4.588 842 HBB1 HEC 107 HBB1 HEC 107 0.938 5.840 4.291 843 HBB2 HEC 107 HBB2 HEC 107 1.269 4.898 2.832 844 HBB3 HEC 107 HBB3 HEC 107 -0.217 5.835 2.961 845 HMC1 HEC 107 HMC1 HEC 107 -4.569 4.686 5.912 846 HMC2 HEC 107 HMC2 HEC 107 -5.302 5.495 4.507 847 HMC3 HEC 107 HMC3 HEC 107 -6.300 4.930 5.847 848 HAC HEC 107 HAC HEC 107 -8.529 1.810 5.134 849 HBC1 HEC 107 HBC1 HEC 107 -9.721 3.904 5.318 850 HBC2 HEC 107 HBC2 HEC 107 -8.278 4.814 4.850 851 HBC3 HEC 107 HBC3 HEC 107 -9.036 3.689 3.708 852 HMD1 HEC 107 HMD1 HEC 107 -9.580 -2.811 2.264 853 HMD2 HEC 107 HMD2 HEC 107 -9.536 -1.287 3.146 854 HMD3 HEC 107 HMD3 HEC 107 -9.582 -1.273 1.383 855 HAD1 HEC 107 HAD1 HEC 107 -6.903 -4.364 0.026 856 HAD2 HEC 107 HAD2 HEC 107 -8.517 -3.804 0.426 857 HBD1 HEC 107 HBD1 HEC 107 -7.895 -3.248 -1.921 858 HBD2 HEC 107 HBD2 HEC 107 -8.234 -1.801 -0.966 Start of MODEL 2 1 H SER 1 H SER 1 14.329 5.020 9.737 2 HA SER 1 HA SER 1 13.169 6.665 7.763 3 HB2 SER 1 HB2 SER 1 14.510 3.969 7.337 4 HB3 SER 1 HB3 SER 1 14.229 5.214 6.111 5 HG SER 1 HG SER 1 16.296 5.487 6.784 6 H GLY 2 H GLY 2 11.260 6.632 6.797 7 HA2 GLY 2 HA2 GLY 2 9.270 6.016 5.879 8 HA3 GLY 2 HA3 GLY 2 9.862 4.388 5.761 9 H GLU 3 H GLU 3 10.145 4.153 8.786 10 HA GLU 3 HA GLU 3 7.605 3.085 9.399 11 HB2 GLU 3 HB2 GLU 3 9.781 2.492 10.494 12 HB3 GLU 3 HB3 GLU 3 9.729 4.034 11.366 13 HG2 GLU 3 HG2 GLU 3 7.454 3.300 12.296 14 HG3 GLU 3 HG3 GLU 3 7.744 1.723 11.569 15 H GLN 4 H GLN 4 8.958 6.286 10.362 16 HA GLN 4 HA GLN 4 6.546 6.919 11.838 17 HB2 GLN 4 HB2 GLN 4 8.830 8.763 11.117 18 HB3 GLN 4 HB3 GLN 4 7.511 9.082 12.257 19 HG2 GLN 4 HG2 GLN 4 8.194 6.948 13.494 20 HG3 GLN 4 HG3 GLN 4 9.632 6.891 12.478 21 HE21 GLN 4 HE21 GLN 4 10.320 6.841 14.932 22 HE22 GLN 4 HE22 GLN 4 10.761 8.442 15.551 23 H ILE 5 H ILE 5 7.360 7.194 8.501 24 HA ILE 5 HA ILE 5 5.105 8.933 7.741 25 HB ILE 5 HB ILE 5 6.605 6.865 6.088 26 HG12 ILE 5 HG12 ILE 5 7.036 9.881 6.309 27 HG13 ILE 5 HG13 ILE 5 8.118 8.644 6.961 28 HG21 ILE 5 HG21 ILE 5 4.823 9.182 5.222 29 HG22 ILE 5 HG22 ILE 5 5.629 8.000 4.164 30 HG23 ILE 5 HG23 ILE 5 4.332 7.474 5.220 31 HD11 ILE 5 HD11 ILE 5 8.453 7.757 4.642 32 HD12 ILE 5 HD12 ILE 5 7.553 9.162 4.036 33 HD13 ILE 5 HD13 ILE 5 9.065 9.403 4.916 34 H PHE 6 H PHE 6 5.613 5.304 7.873 35 HA PHE 6 HA PHE 6 2.919 4.641 7.285 36 HB2 PHE 6 HB2 PHE 6 4.466 2.860 7.342 37 HB3 PHE 6 HB3 PHE 6 5.062 3.280 8.929 38 HD1 PHE 6 HD1 PHE 6 2.026 1.990 7.156 39 HD2 PHE 6 HD2 PHE 6 4.133 2.336 10.905 40 HE1 PHE 6 HE1 PHE 6 0.332 0.542 8.250 41 HE2 PHE 6 HE2 PHE 6 2.446 0.877 11.988 42 HZ PHE 6 HZ PHE 6 0.529 0.008 10.676 43 H ARG 7 H ARG 7 4.332 5.218 10.518 44 HA ARG 7 HA ARG 7 2.048 4.922 12.113 45 HB2 ARG 7 HB2 ARG 7 4.355 5.019 12.909 46 HB3 ARG 7 HB3 ARG 7 4.473 6.722 12.442 47 HG2 ARG 7 HG2 ARG 7 2.853 7.368 14.137 48 HG3 ARG 7 HG3 ARG 7 2.570 5.668 14.571 49 HD2 ARG 7 HD2 ARG 7 4.846 5.448 15.404 50 HD3 ARG 7 HD3 ARG 7 5.295 7.022 14.729 51 HE ARG 7 HE ARG 7 4.385 8.103 16.516 52 HH11 ARG 7 HH11 ARG 7 3.226 4.728 16.664 53 HH12 ARG 7 HH12 ARG 7 2.527 4.940 18.254 54 HH21 ARG 7 HH21 ARG 7 3.470 8.322 18.560 55 HH22 ARG 7 HH22 ARG 7 2.665 6.969 19.325 56 H THR 8 H THR 8 2.940 7.782 10.184 57 HA THR 8 HA THR 8 0.768 9.400 11.445 58 HB THR 8 HB THR 8 1.778 11.262 10.157 59 HG1 THR 8 HG1 THR 8 4.043 9.672 9.798 60 HG21 THR 8 HG21 THR 8 3.823 11.472 11.521 61 HG22 THR 8 HG22 THR 8 3.659 9.781 12.038 62 HG23 THR 8 HG23 THR 8 2.418 10.968 12.477 63 H ARG 9 H ARG 9 1.661 8.069 8.282 64 HA ARG 9 HA ARG 9 -0.550 9.413 6.974 65 HB2 ARG 9 HB2 ARG 9 2.001 9.474 6.444 66 HB3 ARG 9 HB3 ARG 9 1.748 7.896 5.715 67 HG2 ARG 9 HG2 ARG 9 1.776 9.656 4.057 68 HG3 ARG 9 HG3 ARG 9 0.174 8.912 4.075 69 HD2 ARG 9 HD2 ARG 9 -0.846 10.805 4.954 70 HD3 ARG 9 HD3 ARG 9 0.604 11.316 5.835 71 HE ARG 9 HE ARG 9 1.375 11.632 3.247 72 HH11 ARG 9 HH11 ARG 9 -1.442 12.834 5.068 73 HH12 ARG 9 HH12 ARG 9 -1.463 14.368 4.227 74 HH21 ARG 9 HH21 ARG 9 1.322 13.649 2.199 75 HH22 ARG 9 HH22 ARG 9 0.096 14.827 2.606 76 H CYS 10 H CYS 10 0.160 6.140 7.920 77 HA CYS 10 HA CYS 10 -2.018 5.105 6.132 78 HB2 CYS 10 HB2 CYS 10 0.757 3.944 6.521 79 HB3 CYS 10 HB3 CYS 10 -0.538 3.144 5.646 80 H SER 11 H SER 11 -0.850 5.030 9.354 81 HA SER 11 HA SER 11 -1.221 2.211 9.831 82 HB2 SER 11 HB2 SER 11 0.518 3.610 10.856 83 HB3 SER 11 HB3 SER 11 -0.720 4.484 11.774 84 HG SER 11 HG SER 11 0.261 2.890 12.984 85 H SER 12 H SER 12 -3.543 4.816 10.053 86 HA SER 12 HA SER 12 -5.038 3.862 12.289 87 HB2 SER 12 HB2 SER 12 -5.965 5.589 9.972 88 HB3 SER 12 HB3 SER 12 -6.803 5.384 11.520 89 HG SER 12 HG SER 12 -5.451 7.267 11.406 90 H CYS 13 H CYS 13 -4.804 2.404 9.270 91 HA CYS 13 HA CYS 13 -7.125 0.616 9.873 92 HB2 CYS 13 HB2 CYS 13 -6.138 1.332 7.119 93 HB3 CYS 13 HB3 CYS 13 -7.551 0.358 7.513 94 H HIS 14 H HIS 14 -3.894 0.604 10.073 95 HA HIS 14 HA HIS 14 -3.515 -2.098 8.930 96 HB2 HIS 14 2HB HIS 14 -2.097 0.427 8.055 97 HB3 HIS 14 3HB HIS 14 -1.324 -1.134 7.871 98 HD1 HIS 14 1HD HIS 14 -3.524 -2.975 6.762 99 HD2 HIS 14 2HD HIS 14 -2.801 1.017 5.723 100 HE1 HIS 14 1HE HIS 14 -4.461 -2.727 4.442 101 H THR 15 H THR 15 -1.273 -2.744 9.095 102 HA THR 15 HA THR 15 0.255 -2.116 11.520 103 HB THR 15 HB THR 15 0.300 -4.566 12.195 104 HG1 THR 15 HG1 THR 15 -0.624 -5.679 10.681 105 HG21 THR 15 HG21 THR 15 -1.781 -4.514 13.500 106 HG22 THR 15 HG22 THR 15 -2.373 -3.151 12.551 107 HG23 THR 15 HG23 THR 15 -0.931 -2.959 13.572 108 H VAL 16 H VAL 16 2.383 -2.848 11.363 109 HA VAL 16 HA VAL 16 3.118 -4.495 8.962 110 HB VAL 16 HB VAL 16 5.044 -2.595 10.345 111 HG11 VAL 16 HG11 VAL 16 5.076 -4.004 7.631 112 HG12 VAL 16 HG12 VAL 16 6.368 -2.991 8.312 113 HG13 VAL 16 HG13 VAL 16 5.977 -4.536 9.071 114 HG21 VAL 16 HG21 VAL 16 3.434 -1.117 9.374 115 HG22 VAL 16 HG22 VAL 16 4.799 -1.195 8.252 116 HG23 VAL 16 HG23 VAL 16 3.319 -2.095 7.904 117 H GLY 17 H GLY 17 2.591 -6.325 10.060 118 HA2 GLY 17 HA2 GLY 17 3.313 -8.272 11.135 119 HA3 GLY 17 HA3 GLY 17 4.716 -7.409 11.777 120 H ASN 18 H ASN 18 2.826 -5.333 13.025 121 HA ASN 18 HA ASN 18 2.316 -6.677 15.537 122 HB2 ASN 18 HB2 ASN 18 1.538 -3.862 14.680 123 HB3 ASN 18 HB3 ASN 18 1.530 -4.495 16.317 124 HD21 ASN 18 HD21 ASN 18 2.892 -2.718 16.934 125 HD22 ASN 18 HD22 ASN 18 4.601 -2.726 16.482 126 H THR 19 H THR 19 0.854 -7.906 13.471 127 HA THR 19 HA THR 19 -1.688 -6.974 12.847 128 HB THR 19 HB THR 19 -1.035 -9.923 12.986 129 HG1 THR 19 HG1 THR 19 0.104 -8.013 11.210 130 HG21 THR 19 HG21 THR 19 -2.064 -9.877 10.687 131 HG22 THR 19 HG22 THR 19 -2.482 -8.167 10.962 132 HG23 THR 19 HG23 THR 19 -3.177 -9.438 11.982 133 H GLU 20 H GLU 20 -3.812 -7.520 13.439 134 HA GLU 20 HA GLU 20 -4.264 -8.225 16.232 135 HB2 GLU 20 HB2 GLU 20 -6.187 -7.844 13.919 136 HB3 GLU 20 HB3 GLU 20 -6.648 -8.050 15.606 137 HG2 GLU 20 HG2 GLU 20 -4.913 -5.737 14.636 138 HG3 GLU 20 HG3 GLU 20 -6.667 -5.682 14.758 139 HA PRO 21 HA PRO 21 -4.682 -12.650 15.602 140 HB2 PRO 21 HB2 PRO 21 -6.118 -13.380 17.802 141 HB3 PRO 21 HB3 PRO 21 -4.410 -12.845 17.896 142 HG2 PRO 21 HG2 PRO 21 -6.906 -11.179 18.364 143 HG3 PRO 21 HG3 PRO 21 -5.456 -11.313 19.411 144 HD2 PRO 21 HD2 PRO 21 -5.769 -9.273 17.633 145 HD3 PRO 21 HD3 PRO 21 -4.160 -9.995 17.941 146 H GLY 22 H GLY 22 -6.222 -14.096 14.734 147 HA2 GLY 22 HA2 GLY 22 -8.280 -14.830 13.887 148 HA3 GLY 22 HA3 GLY 22 -9.101 -13.606 14.858 149 H GLN 23 H GLN 23 -10.362 -12.432 13.453 150 HA GLN 23 HA GLN 23 -9.537 -11.810 10.739 151 HB2 GLN 23 HB2 GLN 23 -11.862 -12.182 11.446 152 HB3 GLN 23 HB3 GLN 23 -11.828 -10.716 12.416 153 HG2 GLN 23 HG2 GLN 23 -11.335 -10.769 9.397 154 HG3 GLN 23 HG3 GLN 23 -12.922 -10.612 10.100 155 HE21 GLN 23 HE21 GLN 23 -11.612 -8.618 8.376 156 HE22 GLN 23 HE22 GLN 23 -11.484 -7.174 9.406 157 HA PRO 24 HA PRO 24 -6.859 -8.648 11.951 158 HB2 PRO 24 HB2 PRO 24 -6.202 -7.367 9.610 159 HB3 PRO 24 HB3 PRO 24 -5.775 -9.056 9.979 160 HG2 PRO 24 HG2 PRO 24 -8.190 -8.053 8.428 161 HG3 PRO 24 HG3 PRO 24 -6.996 -9.300 7.928 162 HD2 PRO 24 HD2 PRO 24 -9.331 -10.019 9.046 163 HD3 PRO 24 HD3 PRO 24 -7.825 -10.858 9.514 164 H GLY 25 H GLY 25 -9.903 -7.615 11.724 165 HA2 GLY 25 HA2 GLY 25 -10.807 -5.686 12.702 166 HA3 GLY 25 HA3 GLY 25 -9.259 -4.862 12.568 167 H ILE 26 H ILE 26 -9.406 -3.134 11.249 168 HA ILE 26 HA ILE 26 -11.509 -2.747 9.300 169 HB ILE 26 HB ILE 26 -8.906 -1.210 9.675 170 HG12 ILE 26 HG12 ILE 26 -11.697 -0.690 10.806 171 HG13 ILE 26 HG13 ILE 26 -10.292 -1.231 11.718 172 HG21 ILE 26 HG21 ILE 26 -11.476 -0.417 8.227 173 HG22 ILE 26 HG22 ILE 26 -10.070 0.633 8.466 174 HG23 ILE 26 HG23 ILE 26 -9.926 -0.781 7.445 175 HD11 ILE 26 HD11 ILE 26 -10.651 1.494 10.445 176 HD12 ILE 26 HD12 ILE 26 -10.569 1.081 12.161 177 HD13 ILE 26 HD13 ILE 26 -9.124 0.902 11.149 178 H GLY 27 H GLY 27 -8.117 -3.817 9.039 179 HA2 GLY 27 HA2 GLY 27 -8.563 -5.045 6.459 180 HA3 GLY 27 HA3 GLY 27 -7.671 -3.528 6.313 181 HA PRO 28 HA PRO 28 -5.119 -7.442 7.201 182 HB2 PRO 28 HB2 PRO 28 -3.805 -7.768 4.808 183 HB3 PRO 28 HB3 PRO 28 -5.465 -8.355 5.121 184 HG2 PRO 28 HG2 PRO 28 -4.642 -5.735 3.814 185 HG3 PRO 28 HG3 PRO 28 -5.789 -6.964 3.187 186 HD2 PRO 28 HD2 PRO 28 -6.704 -4.814 4.520 187 HD3 PRO 28 HD3 PRO 28 -7.413 -6.425 4.839 188 H ASP 29 H ASP 29 -2.786 -7.879 7.107 189 HA ASP 29 HA ASP 29 -1.221 -5.615 8.081 190 HB2 ASP 29 HB2 ASP 29 -1.347 -8.008 8.996 191 HB3 ASP 29 HB3 ASP 29 -0.353 -8.487 7.627 192 H LEU 30 H LEU 30 1.053 -5.284 7.374 193 HA LEU 30 HA LEU 30 1.298 -5.319 4.385 194 HB2 LEU 30 HB2 LEU 30 2.547 -3.373 6.326 195 HB3 LEU 30 HB3 LEU 30 2.434 -3.213 4.579 196 HG LEU 30 HG LEU 30 0.127 -3.074 6.566 197 HD11 LEU 30 HD11 LEU 30 1.480 -0.927 4.863 198 HD12 LEU 30 HD12 LEU 30 1.589 -1.104 6.625 199 HD13 LEU 30 HD13 LEU 30 0.040 -0.686 5.881 200 HD21 LEU 30 HD21 LEU 30 -1.191 -2.261 4.577 201 HD22 LEU 30 HD22 LEU 30 -0.688 -3.943 4.397 202 HD23 LEU 30 HD23 LEU 30 0.185 -2.666 3.524 203 H LEU 31 H LEU 31 2.753 -6.843 7.042 204 HA LEU 31 HA LEU 31 5.488 -6.298 6.681 205 HB2 LEU 31 HB2 LEU 31 4.571 -7.256 8.608 206 HB3 LEU 31 HB3 LEU 31 4.236 -8.774 7.771 207 HG LEU 31 HG LEU 31 7.038 -7.849 7.530 208 HD11 LEU 31 HD11 LEU 31 7.707 -8.447 9.789 209 HD12 LEU 31 HD12 LEU 31 6.008 -8.709 10.248 210 HD13 LEU 31 HD13 LEU 31 6.582 -7.079 9.802 211 HD21 LEU 31 HD21 LEU 31 7.510 -10.179 8.061 212 HD22 LEU 31 HD22 LEU 31 6.282 -10.049 6.780 213 HD23 LEU 31 HD23 LEU 31 5.799 -10.457 8.443 214 H GLY 32 H GLY 32 6.930 -6.771 5.424 215 HA2 GLY 32 HA2 GLY 32 8.130 -7.356 3.557 216 HA3 GLY 32 HA3 GLY 32 7.465 -8.969 3.775 217 H VAL 33 H VAL 33 4.974 -6.655 3.021 218 HA VAL 33 HA VAL 33 4.044 -8.321 1.067 219 HB VAL 33 HB VAL 33 2.762 -6.662 2.341 220 HG11 VAL 33 HG11 VAL 33 3.597 -4.646 0.219 221 HG12 VAL 33 HG12 VAL 33 2.444 -4.397 1.546 222 HG13 VAL 33 HG13 VAL 33 4.155 -4.651 1.908 223 HG21 VAL 33 HG21 VAL 33 2.143 -6.526 -0.632 224 HG22 VAL 33 HG22 VAL 33 1.729 -7.871 0.456 225 HG23 VAL 33 HG23 VAL 33 1.028 -6.277 0.723 226 H THR 34 H THR 34 6.479 -5.966 0.361 227 HA THR 34 HA THR 34 6.275 -5.774 -2.490 228 HB THR 34 HB THR 34 7.814 -4.378 -1.297 229 HG1 THR 34 HG1 THR 34 9.478 -4.568 -2.626 230 HG21 THR 34 HG21 THR 34 9.909 -5.244 -0.322 231 HG22 THR 34 HG22 THR 34 9.315 -6.905 -0.526 232 HG23 THR 34 HG23 THR 34 8.495 -5.784 0.589 233 H ARG 35 H ARG 35 7.358 -8.506 -0.483 234 HA ARG 35 HA ARG 35 8.201 -10.014 -2.866 235 HB2 ARG 35 HB2 ARG 35 9.228 -11.513 -1.466 236 HB3 ARG 35 HB3 ARG 35 9.406 -9.980 -0.621 237 HG2 ARG 35 HG2 ARG 35 7.238 -10.736 0.685 238 HG3 ARG 35 HG3 ARG 35 7.590 -12.331 0.042 239 HD2 ARG 35 HD2 ARG 35 9.510 -10.639 1.703 240 HD3 ARG 35 HD3 ARG 35 8.517 -11.957 2.326 241 HE ARG 35 HE ARG 35 10.954 -12.156 0.705 242 HH11 ARG 35 HH11 ARG 35 8.136 -13.945 1.973 243 HH12 ARG 35 HH12 ARG 35 8.898 -15.504 1.746 244 HH21 ARG 35 HH21 ARG 35 11.894 -14.194 0.431 245 HH22 ARG 35 HH22 ARG 35 11.020 -15.643 0.876 246 H GLN 36 H GLN 36 5.226 -9.410 -1.683 247 HA GLN 36 HA GLN 36 4.061 -12.118 -2.225 248 HB2 GLN 36 HB2 GLN 36 2.972 -9.634 -0.826 249 HB3 GLN 36 HB3 GLN 36 1.980 -11.011 -1.243 250 HG2 GLN 36 HG2 GLN 36 4.379 -11.113 0.639 251 HG3 GLN 36 HG3 GLN 36 2.680 -11.032 1.123 252 HE21 GLN 36 HE21 GLN 36 1.275 -12.847 -0.165 253 HE22 GLN 36 HE22 GLN 36 2.032 -14.435 -0.229 254 H ARG 37 H ARG 37 4.271 -8.877 -3.528 255 HA ARG 37 HA ARG 37 2.136 -9.438 -5.551 256 HB2 ARG 37 HB2 ARG 37 1.598 -7.874 -3.568 257 HB3 ARG 37 HB3 ARG 37 2.798 -6.779 -4.222 258 HG2 ARG 37 HG2 ARG 37 0.587 -6.045 -4.843 259 HG3 ARG 37 HG3 ARG 37 1.441 -6.529 -6.296 260 HD2 ARG 37 HD2 ARG 37 -0.863 -7.300 -6.383 261 HD3 ARG 37 HD3 ARG 37 0.213 -8.693 -6.297 262 HE ARG 37 HE ARG 37 -1.243 -7.542 -3.935 263 HH11 ARG 37 HH11 ARG 37 -0.244 -10.451 -5.757 264 HH12 ARG 37 HH12 ARG 37 -0.922 -11.539 -4.568 265 HH21 ARG 37 HH21 ARG 37 -2.086 -8.990 -2.436 266 HH22 ARG 37 HH22 ARG 37 -1.960 -10.715 -2.696 267 H ASP 38 H ASP 38 2.403 -8.190 -7.589 268 HA ASP 38 HA ASP 38 5.041 -7.767 -8.630 269 HB2 ASP 38 HB2 ASP 38 2.953 -7.982 -9.995 270 HB3 ASP 38 HB3 ASP 38 2.392 -6.444 -9.389 271 H ALA 39 H ALA 39 6.496 -6.430 -7.814 272 HA ALA 39 HA ALA 39 5.893 -4.486 -5.850 273 HB1 ALA 39 HB1 ALA 39 7.924 -5.871 -5.953 274 HB2 ALA 39 HB2 ALA 39 8.439 -5.021 -7.428 275 HB3 ALA 39 HB3 ALA 39 8.335 -4.145 -5.882 276 H ASN 40 H ASN 40 5.801 -4.113 -9.257 277 HA ASN 40 HA ASN 40 6.313 -1.174 -9.161 278 HB2 ASN 40 HB2 ASN 40 5.918 -3.069 -11.518 279 HB3 ASN 40 HB3 ASN 40 6.285 -1.354 -11.620 280 HD21 ASN 40 HD21 ASN 40 8.456 -0.780 -11.730 281 HD22 ASN 40 HD22 ASN 40 9.746 -1.937 -11.407 282 H TRP 41 H TRP 41 3.735 -3.579 -9.814 283 HA TRP 41 HA TRP 41 1.586 -1.648 -10.150 284 HB2 TRP 41 HB2 TRP 41 1.420 -4.096 -10.726 285 HB3 TRP 41 HB3 TRP 41 1.527 -4.459 -9.018 286 HD1 TRP 41 HD1 TRP 41 -0.949 -3.155 -11.600 287 HE1 TRP 41 HE1 TRP 41 -3.327 -3.274 -10.657 288 HE3 TRP 41 HE3 TRP 41 0.199 -4.309 -6.750 289 HZ2 TRP 41 HZ2 TRP 41 -4.552 -3.728 -8.085 290 HZ3 TRP 41 HZ3 TRP 41 -1.612 -4.535 -5.052 291 HH2 TRP 41 HH2 TRP 41 -3.986 -4.233 -5.710 292 H LEU 42 H LEU 42 2.961 -3.309 -7.301 293 HA LEU 42 HA LEU 42 1.181 -2.597 -5.334 294 HB2 LEU 42 HB2 LEU 42 3.058 -4.156 -5.098 295 HB3 LEU 42 HB3 LEU 42 4.216 -2.836 -5.251 296 HG LEU 42 HG LEU 42 3.439 -1.905 -3.079 297 HD11 LEU 42 HD11 LEU 42 1.739 -4.440 -2.972 298 HD12 LEU 42 HD12 LEU 42 1.134 -2.768 -3.003 299 HD13 LEU 42 HD13 LEU 42 2.059 -3.355 -1.606 300 HD21 LEU 42 HD21 LEU 42 4.482 -3.613 -1.696 301 HD22 LEU 42 HD22 LEU 42 5.339 -3.500 -3.237 302 HD23 LEU 42 HD23 LEU 42 4.210 -4.845 -2.953 303 H VAL 43 H VAL 43 3.934 -0.562 -6.389 304 HA VAL 43 HA VAL 43 3.368 1.583 -4.497 305 HB VAL 43 HB VAL 43 5.125 1.623 -6.981 306 HG11 VAL 43 HG11 VAL 43 4.562 3.896 -6.124 307 HG12 VAL 43 HG12 VAL 43 5.013 3.387 -4.478 308 HG13 VAL 43 HG13 VAL 43 6.239 3.498 -5.755 309 HG21 VAL 43 HG21 VAL 43 5.716 0.961 -4.052 310 HG22 VAL 43 HG22 VAL 43 5.911 -0.116 -5.443 311 HG23 VAL 43 HG23 VAL 43 6.961 1.286 -5.276 312 H ARG 44 H ARG 44 2.530 1.072 -7.972 313 HA ARG 44 HA ARG 44 1.194 3.596 -8.328 314 HB2 ARG 44 HB2 ARG 44 0.940 0.907 -9.722 315 HB3 ARG 44 HB3 ARG 44 -0.068 2.299 -10.148 316 HG2 ARG 44 HG2 ARG 44 1.937 3.671 -10.555 317 HG3 ARG 44 HG3 ARG 44 2.987 2.300 -10.182 318 HD2 ARG 44 HD2 ARG 44 0.892 2.221 -12.401 319 HD3 ARG 44 HD3 ARG 44 2.523 2.839 -12.651 320 HE ARG 44 HE ARG 44 3.467 0.716 -12.276 321 HH11 ARG 44 HH11 ARG 44 -0.100 0.515 -12.321 322 HH12 ARG 44 HH12 ARG 44 -0.089 -1.189 -12.719 323 HH21 ARG 44 HH21 ARG 44 3.423 -1.461 -12.802 324 HH22 ARG 44 HH22 ARG 44 1.903 -2.306 -12.990 325 H TRP 45 H TRP 45 -0.041 0.417 -7.305 326 HA TRP 45 HA TRP 45 -2.747 1.042 -6.773 327 HB2 TRP 45 HB2 TRP 45 -2.199 -1.219 -6.689 328 HB3 TRP 45 HB3 TRP 45 -0.735 -0.959 -5.769 329 HD1 TRP 45 HD1 TRP 45 -0.793 -1.086 -3.229 330 HE1 TRP 45 HE1 TRP 45 -2.571 -1.754 -1.484 331 HE3 TRP 45 HE3 TRP 45 -4.958 -0.910 -6.192 332 HZ2 TRP 45 HZ2 TRP 45 -5.453 -1.984 -1.355 333 HZ3 TRP 45 HZ3 TRP 45 -7.212 -1.264 -5.215 334 HH2 TRP 45 HH2 TRP 45 -7.469 -1.809 -2.802 335 H LEU 46 H LEU 46 0.022 1.279 -4.447 336 HA LEU 46 HA LEU 46 -1.815 2.384 -2.483 337 HB2 LEU 46 HB2 LEU 46 -0.097 2.184 -0.913 338 HB3 LEU 46 HB3 LEU 46 -0.036 0.787 -1.978 339 HG LEU 46 HG LEU 46 1.825 2.103 -3.236 340 HD11 LEU 46 HD11 LEU 46 1.906 3.429 -0.506 341 HD12 LEU 46 HD12 LEU 46 1.733 4.229 -2.079 342 HD13 LEU 46 HD13 LEU 46 3.243 3.422 -1.674 343 HD21 LEU 46 HD21 LEU 46 2.099 -0.026 -1.949 344 HD22 LEU 46 HD22 LEU 46 2.351 0.928 -0.466 345 HD23 LEU 46 HD23 LEU 46 3.498 1.028 -1.815 346 H LYS 47 H LYS 47 0.101 3.898 -4.909 347 HA LYS 47 HA LYS 47 0.025 6.576 -3.701 348 HB2 LYS 47 HB2 LYS 47 0.707 5.459 -6.451 349 HB3 LYS 47 HB3 LYS 47 0.482 7.188 -6.209 350 HG2 LYS 47 HG2 LYS 47 2.205 7.214 -4.451 351 HG3 LYS 47 HG3 LYS 47 2.466 5.482 -4.656 352 HD2 LYS 47 HD2 LYS 47 4.216 6.630 -5.827 353 HD3 LYS 47 HD3 LYS 47 3.148 5.910 -7.041 354 HE2 LYS 47 HE2 LYS 47 2.066 8.108 -7.409 355 HE3 LYS 47 HE3 LYS 47 3.032 8.822 -6.112 356 HZ1 LYS 47 HZ1 LYS 47 5.026 8.334 -7.420 357 HZ2 LYS 47 HZ2 LYS 47 4.023 9.318 -8.247 358 HZ3 LYS 47 HZ3 LYS 47 4.099 7.739 -8.660 359 H VAL 48 H VAL 48 -1.970 4.850 -6.120 360 HA VAL 48 HA VAL 48 -4.073 6.955 -5.822 361 HB VAL 48 HB VAL 48 -4.282 7.068 -8.287 362 HG11 VAL 48 HG11 VAL 48 -3.144 8.817 -6.974 363 HG12 VAL 48 HG12 VAL 48 -1.591 8.021 -7.312 364 HG13 VAL 48 HG13 VAL 48 -2.561 8.675 -8.642 365 HG21 VAL 48 HG21 VAL 48 -2.446 6.465 -9.755 366 HG22 VAL 48 HG22 VAL 48 -1.504 5.819 -8.401 367 HG23 VAL 48 HG23 VAL 48 -2.987 5.000 -8.924 368 HA PRO 49 HA PRO 49 -5.636 2.521 -5.963 369 HB2 PRO 49 HB2 PRO 49 -7.133 2.508 -3.651 370 HB3 PRO 49 HB3 PRO 49 -5.384 2.147 -3.702 371 HG2 PRO 49 HG2 PRO 49 -6.725 4.787 -3.044 372 HG3 PRO 49 HG3 PRO 49 -5.415 3.959 -2.142 373 HD2 PRO 49 HD2 PRO 49 -4.879 5.962 -3.891 374 HD3 PRO 49 HD3 PRO 49 -3.803 4.540 -3.767 375 H ASP 50 H ASP 50 -7.363 5.534 -5.157 376 HA ASP 50 HA ASP 50 -9.966 4.677 -6.041 377 HB2 ASP 50 HB2 ASP 50 -9.581 6.525 -4.481 378 HB3 ASP 50 HB3 ASP 50 -8.715 7.433 -5.712 379 H GLN 51 H GLN 51 -7.232 6.289 -7.716 380 HA GLN 51 HA GLN 51 -8.575 6.608 -10.250 381 HB2 GLN 51 HB2 GLN 51 -6.470 7.765 -9.352 382 HB3 GLN 51 HB3 GLN 51 -5.602 6.273 -9.772 383 HG2 GLN 51 HG2 GLN 51 -6.176 6.584 -12.133 384 HG3 GLN 51 HG3 GLN 51 -7.161 7.996 -11.720 385 HE21 GLN 51 HE21 GLN 51 -3.886 6.842 -12.283 386 HE22 GLN 51 HE22 GLN 51 -3.086 8.375 -11.948 387 H MET 52 H MET 52 -6.721 3.959 -8.770 388 HA MET 52 HA MET 52 -6.459 2.284 -11.081 389 HB2 MET 52 HB2 MET 52 -5.177 2.155 -8.877 390 HB3 MET 52 HB3 MET 52 -6.618 1.436 -8.161 391 HG2 MET 52 HG2 MET 52 -5.304 -0.400 -8.710 392 HG3 MET 52 HG3 MET 52 -6.487 -0.336 -10.006 393 HE1 MET 52 HE1 MET 52 -2.900 -0.511 -8.930 394 HE2 MET 52 HE2 MET 52 -1.935 0.239 -10.218 395 HE3 MET 52 HE3 MET 52 -2.899 1.261 -9.126 396 H LEU 53 H LEU 53 -8.932 2.280 -8.441 397 HA LEU 53 HA LEU 53 -10.562 0.240 -9.712 398 HB2 LEU 53 HB2 LEU 53 -11.157 2.274 -7.531 399 HB3 LEU 53 HB3 LEU 53 -12.291 1.025 -8.043 400 HG LEU 53 HG LEU 53 -9.533 0.451 -6.878 401 HD11 LEU 53 HD11 LEU 53 -10.753 -0.214 -4.849 402 HD12 LEU 53 HD12 LEU 53 -12.291 0.269 -5.596 403 HD13 LEU 53 HD13 LEU 53 -11.048 1.491 -5.227 404 HD21 LEU 53 HD21 LEU 53 -10.304 -1.419 -8.277 405 HD22 LEU 53 HD22 LEU 53 -11.879 -1.408 -7.456 406 HD23 LEU 53 HD23 LEU 53 -10.410 -1.853 -6.568 407 H ALA 54 H ALA 54 -10.473 3.775 -10.068 408 HA ALA 54 HA ALA 54 -12.873 3.848 -11.718 409 HB1 ALA 54 HB1 ALA 54 -10.621 5.851 -11.322 410 HB2 ALA 54 HB2 ALA 54 -12.152 6.162 -12.170 411 HB3 ALA 54 HB3 ALA 54 -12.162 5.799 -10.441 412 H GLU 55 H GLU 55 -9.457 3.201 -12.430 413 HA GLU 55 HA GLU 55 -9.841 3.277 -15.351 414 HB2 GLU 55 HB2 GLU 55 -7.676 3.833 -14.424 415 HB3 GLU 55 HB3 GLU 55 -7.626 2.335 -13.511 416 HG2 GLU 55 HG2 GLU 55 -6.095 2.164 -15.315 417 HG3 GLU 55 HG3 GLU 55 -7.381 1.024 -15.575 418 H LYS 56 H LYS 56 -10.529 1.072 -12.832 419 HA LYS 56 HA LYS 56 -11.033 -1.103 -12.639 420 HB2 LYS 56 HB2 LYS 56 -12.110 -0.894 -15.465 421 HB3 LYS 56 HB3 LYS 56 -12.482 -2.142 -14.263 422 HG2 LYS 56 HG2 LYS 56 -13.441 -0.387 -12.766 423 HG3 LYS 56 HG3 LYS 56 -13.198 0.806 -14.054 424 HD2 LYS 56 HD2 LYS 56 -14.670 -0.511 -15.557 425 HD3 LYS 56 HD3 LYS 56 -14.908 -1.720 -14.274 426 HE2 LYS 56 HE2 LYS 56 -15.882 0.033 -12.808 427 HE3 LYS 56 HE3 LYS 56 -15.649 1.234 -14.086 428 HZ1 LYS 56 HZ1 LYS 56 -17.416 -1.156 -14.315 429 HZ2 LYS 56 HZ2 LYS 56 -17.195 -0.028 -15.474 430 HZ3 LYS 56 HZ3 LYS 56 -17.907 0.398 -14.052 431 H ASP 57 H ASP 57 -8.594 -0.931 -12.733 432 HA ASP 57 HA ASP 57 -7.236 -2.884 -14.495 433 HB2 ASP 57 HB2 ASP 57 -6.057 -0.876 -13.446 434 HB3 ASP 57 HB3 ASP 57 -6.278 -1.660 -11.883 435 HA PRO 58 HA PRO 58 -10.003 -5.339 -12.297 436 HB2 PRO 58 HB2 PRO 58 -9.712 -7.737 -13.513 437 HB3 PRO 58 HB3 PRO 58 -10.237 -6.216 -14.337 438 HG2 PRO 58 HG2 PRO 58 -7.363 -7.198 -14.229 439 HG3 PRO 58 HG3 PRO 58 -8.376 -7.008 -15.713 440 HD2 PRO 58 HD2 PRO 58 -6.793 -5.051 -14.810 441 HD3 PRO 58 HD3 PRO 58 -8.466 -4.649 -15.311 442 H LEU 59 H LEU 59 -6.654 -6.214 -12.182 443 HA LEU 59 HA LEU 59 -6.594 -8.120 -10.066 444 HB2 LEU 59 HB2 LEU 59 -4.636 -7.474 -11.405 445 HB3 LEU 59 HB3 LEU 59 -4.687 -5.837 -10.751 446 HG LEU 59 HG LEU 59 -4.096 -6.652 -8.515 447 HD11 LEU 59 HD11 LEU 59 -3.396 -9.041 -8.208 448 HD12 LEU 59 HD12 LEU 59 -4.105 -9.418 -9.794 449 HD13 LEU 59 HD13 LEU 59 -5.132 -8.862 -8.456 450 HD21 LEU 59 HD21 LEU 59 -2.295 -7.817 -10.676 451 HD22 LEU 59 HD22 LEU 59 -1.812 -7.412 -9.014 452 HD23 LEU 59 HD23 LEU 59 -2.299 -6.135 -10.136 453 H ALA 60 H ALA 60 -6.897 -4.522 -9.911 454 HA ALA 60 HA ALA 60 -6.982 -4.469 -7.000 455 HB1 ALA 60 HB1 ALA 60 -7.938 -2.435 -9.043 456 HB2 ALA 60 HB2 ALA 60 -7.743 -2.182 -7.299 457 HB3 ALA 60 HB3 ALA 60 -6.317 -2.495 -8.311 458 H MET 61 H MET 61 -9.400 -4.465 -9.624 459 HA MET 61 HA MET 61 -11.755 -4.080 -8.100 460 HB2 MET 61 HB2 MET 61 -11.493 -5.752 -10.622 461 HB3 MET 61 HB3 MET 61 -12.946 -4.984 -10.008 462 HG2 MET 61 HG2 MET 61 -10.473 -3.488 -10.963 463 HG3 MET 61 HG3 MET 61 -11.885 -3.817 -11.948 464 HE1 MET 61 HE1 MET 61 -14.396 -3.221 -10.048 465 HE2 MET 61 HE2 MET 61 -14.627 -1.560 -10.630 466 HE3 MET 61 HE3 MET 61 -14.101 -2.840 -11.757 467 H LEU 62 H LEU 62 -9.940 -7.049 -8.754 468 HA LEU 62 HA LEU 62 -11.714 -8.814 -7.228 469 HB2 LEU 62 HB2 LEU 62 -8.860 -8.994 -8.238 470 HB3 LEU 62 HB3 LEU 62 -9.653 -10.296 -7.359 471 HG LEU 62 HG LEU 62 -10.639 -9.209 -10.039 472 HD11 LEU 62 HD11 LEU 62 -9.730 -11.311 -10.951 473 HD12 LEU 62 HD12 LEU 62 -9.093 -11.744 -9.351 474 HD13 LEU 62 HD13 LEU 62 -8.452 -10.330 -10.220 475 HD21 LEU 62 HD21 LEU 62 -11.462 -11.662 -8.420 476 HD22 LEU 62 HD22 LEU 62 -12.001 -11.283 -10.070 477 HD23 LEU 62 HD23 LEU 62 -12.462 -10.225 -8.737 478 H LEU 63 H LEU 63 -8.535 -7.121 -6.545 479 HA LEU 63 HA LEU 63 -8.157 -8.605 -4.137 480 HB2 LEU 63 HB2 LEU 63 -6.406 -7.659 -5.507 481 HB3 LEU 63 HB3 LEU 63 -6.947 -6.014 -5.198 482 HG LEU 63 HG LEU 63 -6.193 -7.743 -2.831 483 HD11 LEU 63 HD11 LEU 63 -3.813 -7.094 -3.155 484 HD12 LEU 63 HD12 LEU 63 -4.235 -6.439 -4.760 485 HD13 LEU 63 HD13 LEU 63 -4.408 -8.172 -4.431 486 HD21 LEU 63 HD21 LEU 63 -5.336 -5.604 -1.969 487 HD22 LEU 63 HD22 LEU 63 -7.005 -5.380 -2.505 488 HD23 LEU 63 HD23 LEU 63 -5.675 -4.805 -3.522 489 H PHE 64 H PHE 64 -9.785 -5.543 -4.767 490 HA PHE 64 HA PHE 64 -10.003 -4.936 -1.907 491 HB2 PHE 64 HB2 PHE 64 -10.695 -2.925 -2.443 492 HB3 PHE 64 HB3 PHE 64 -10.044 -3.302 -4.015 493 HD1 PHE 64 HD1 PHE 64 -11.809 -4.362 -5.746 494 HD2 PHE 64 HD2 PHE 64 -12.856 -2.117 -2.234 495 HE1 PHE 64 HE1 PHE 64 -13.994 -3.778 -6.776 496 HE2 PHE 64 HE2 PHE 64 -15.010 -1.475 -3.284 497 HZ PHE 64 HZ PHE 64 -15.579 -2.300 -5.562 498 H GLU 65 H GLU 65 -12.209 -6.396 -4.312 499 HA GLU 65 HA GLU 65 -14.489 -6.734 -2.657 500 HB2 GLU 65 HB2 GLU 65 -14.675 -6.938 -4.991 501 HB3 GLU 65 HB3 GLU 65 -13.269 -7.975 -5.127 502 HG2 GLU 65 HG2 GLU 65 -15.226 -9.228 -5.591 503 HG3 GLU 65 HG3 GLU 65 -14.417 -9.840 -4.154 504 H GLN 66 H GLN 66 -11.618 -8.819 -3.220 505 HA GLN 66 HA GLN 66 -12.495 -10.777 -1.249 506 HB2 GLN 66 HB2 GLN 66 -10.004 -10.507 -2.970 507 HB3 GLN 66 HB3 GLN 66 -10.287 -11.838 -1.842 508 HG2 GLN 66 HG2 GLN 66 -12.414 -12.381 -3.043 509 HG3 GLN 66 HG3 GLN 66 -12.028 -11.148 -4.244 510 HE21 GLN 66 HE21 GLN 66 -12.466 -13.693 -5.098 511 HE22 GLN 66 HE22 GLN 66 -10.938 -14.445 -5.573 512 H TYR 67 H TYR 67 -11.481 -7.900 -0.579 513 HA TYR 67 HA TYR 67 -10.598 -8.846 2.100 514 HB2 TYR 67 HB2 TYR 67 -9.570 -6.399 0.639 515 HB3 TYR 67 HB3 TYR 67 -9.402 -6.631 2.372 516 HD1 TYR 67 HD2 TYR 67 -8.516 -9.301 2.867 517 HD2 TYR 67 HD1 TYR 67 -7.459 -6.633 -0.354 518 HE1 TYR 67 HE2 TYR 67 -6.283 -10.375 2.704 519 HE2 TYR 67 HE1 TYR 67 -5.201 -7.677 -0.473 520 HH TYR 67 HH TYR 67 -3.751 -9.100 0.515 521 H ASN 68 H ASN 68 -13.170 -8.755 1.350 522 HA ASN 68 HA ASN 68 -15.224 -7.988 1.711 523 HB2 ASN 68 HB2 ASN 68 -14.274 -8.591 3.988 524 HB3 ASN 68 HB3 ASN 68 -14.140 -6.860 4.289 525 HD21 ASN 68 HD21 ASN 68 -15.603 -7.046 6.039 526 HD22 ASN 68 HD22 ASN 68 -17.338 -7.245 5.773 527 H ARG 69 H ARG 69 -13.860 -6.265 0.051 528 HA ARG 69 HA ARG 69 -14.218 -4.439 -1.159 529 HB2 ARG 69 HB2 ARG 69 -16.324 -5.922 -1.063 530 HB3 ARG 69 HB3 ARG 69 -17.071 -4.574 -0.204 531 HG2 ARG 69 HG2 ARG 69 -16.522 -3.103 -2.190 532 HG3 ARG 69 HG3 ARG 69 -15.823 -4.520 -2.994 533 HD2 ARG 69 HD2 ARG 69 -18.026 -5.633 -2.962 534 HD3 ARG 69 HD3 ARG 69 -18.707 -4.294 -2.033 535 HE ARG 69 HE ARG 69 -18.921 -3.044 -3.927 536 HH11 ARG 69 HH11 ARG 69 -16.740 -5.752 -4.740 537 HH12 ARG 69 HH12 ARG 69 -16.757 -5.378 -6.449 538 HH21 ARG 69 HH21 ARG 69 -18.915 -2.607 -6.131 539 HH22 ARG 69 HH22 ARG 69 -17.989 -3.598 -7.237 540 H LEU 70 H LEU 70 -13.180 -3.464 1.336 541 HA LEU 70 HA LEU 70 -14.738 -1.214 2.245 542 HB2 LEU 70 HB2 LEU 70 -13.122 -2.471 3.595 543 HB3 LEU 70 HB3 LEU 70 -11.805 -1.856 2.608 544 HG LEU 70 HG LEU 70 -13.613 0.169 3.936 545 HD11 LEU 70 HD11 LEU 70 -13.256 -1.454 5.727 546 HD12 LEU 70 HD12 LEU 70 -12.373 0.041 6.031 547 HD13 LEU 70 HD13 LEU 70 -11.500 -1.400 5.455 548 HD21 LEU 70 HD21 LEU 70 -11.710 0.995 2.583 549 HD22 LEU 70 HD22 LEU 70 -10.583 0.007 3.526 550 HD23 LEU 70 HD23 LEU 70 -11.457 1.363 4.283 551 H ALA 71 H ALA 71 -11.992 -1.389 -0.031 552 HA ALA 71 HA ALA 71 -11.154 -0.010 -1.566 553 HB1 ALA 71 HB1 ALA 71 -12.508 1.655 -2.697 554 HB2 ALA 71 HB2 ALA 71 -13.436 0.168 -2.468 555 HB3 ALA 71 HB3 ALA 71 -13.744 1.570 -1.431 556 H MET 72 H MET 72 -9.460 0.560 -0.099 557 HA MET 72 HA MET 72 -9.617 2.820 1.595 558 HB2 MET 72 HB2 MET 72 -7.292 2.656 1.895 559 HB3 MET 72 HB3 MET 72 -7.902 1.014 1.709 560 HG2 MET 72 HG2 MET 72 -7.097 1.041 -0.676 561 HG3 MET 72 HG3 MET 72 -6.458 2.670 -0.399 562 HE1 MET 72 HE1 MET 72 -4.480 0.882 -1.591 563 HE2 MET 72 HE2 MET 72 -3.931 2.398 -0.840 564 HE3 MET 72 HE3 MET 72 -3.070 0.879 -0.504 565 HA PRO 73 HA PRO 73 -9.283 6.199 -1.270 566 HB2 PRO 73 HB2 PRO 73 -8.816 8.287 0.376 567 HB3 PRO 73 HB3 PRO 73 -10.318 7.319 0.501 568 HG2 PRO 73 HG2 PRO 73 -7.789 7.028 2.150 569 HG3 PRO 73 HG3 PRO 73 -9.475 7.186 2.740 570 HD2 PRO 73 HD2 PRO 73 -8.247 4.757 2.412 571 HD3 PRO 73 HD3 PRO 73 -9.998 4.984 2.113 572 H ASN 74 H ASN 74 -7.873 7.980 -2.019 573 HA ASN 74 HA ASN 74 -4.966 7.503 -1.840 574 HB2 ASN 74 HB2 ASN 74 -5.906 8.274 -3.958 575 HB3 ASN 74 HB3 ASN 74 -6.681 9.640 -3.167 576 HD21 ASN 74 HD21 ASN 74 -5.482 10.700 -5.008 577 HD22 ASN 74 HD22 ASN 74 -3.830 11.235 -4.642 578 H MET 75 H MET 75 -3.705 8.375 -0.323 579 HA MET 75 HA MET 75 -4.883 10.095 1.778 580 HB2 MET 75 HB2 MET 75 -2.166 8.744 1.652 581 HB3 MET 75 HB3 MET 75 -2.822 9.602 3.037 582 HG2 MET 75 HG2 MET 75 -3.931 7.057 1.800 583 HG3 MET 75 HG3 MET 75 -3.050 7.195 3.319 584 HE1 MET 75 HE1 MET 75 -4.233 9.643 4.814 585 HE2 MET 75 HE2 MET 75 -5.600 8.941 5.697 586 HE3 MET 75 HE3 MET 75 -4.058 8.059 5.604 587 H ARG 76 H ARG 76 -3.592 10.872 -1.106 588 HA ARG 76 HA ARG 76 -2.564 12.571 -2.054 589 HB2 ARG 76 HB2 ARG 76 -4.285 13.715 -0.180 590 HB3 ARG 76 HB3 ARG 76 -2.814 14.638 0.027 591 HG2 ARG 76 HG2 ARG 76 -4.303 14.144 -2.594 592 HG3 ARG 76 HG3 ARG 76 -4.394 15.616 -1.633 593 HD2 ARG 76 HD2 ARG 76 -1.868 14.582 -2.997 594 HD3 ARG 76 HD3 ARG 76 -2.945 15.833 -3.629 595 HE ARG 76 HE ARG 76 -2.039 16.456 -0.960 596 HH11 ARG 76 HH11 ARG 76 -1.030 16.585 -4.380 597 HH12 ARG 76 HH12 ARG 76 0.102 17.890 -4.104 598 HH21 ARG 76 HH21 ARG 76 -0.556 18.146 -0.651 599 HH22 ARG 76 HH22 ARG 76 0.370 18.771 -1.998 600 H LEU 77 H LEU 77 -0.940 10.817 -0.415 601 HA LEU 77 HA LEU 77 1.171 12.346 0.796 602 HB2 LEU 77 HB2 LEU 77 2.169 10.338 1.378 603 HB3 LEU 77 HB3 LEU 77 0.445 10.075 1.544 604 HG LEU 77 HG LEU 77 2.155 9.117 -0.797 605 HD11 LEU 77 HD11 LEU 77 1.142 7.676 1.683 606 HD12 LEU 77 HD12 LEU 77 2.830 8.006 1.245 607 HD13 LEU 77 HD13 LEU 77 1.875 6.869 0.279 608 HD21 LEU 77 HD21 LEU 77 -0.710 8.407 -0.055 609 HD22 LEU 77 HD22 LEU 77 0.262 7.583 -1.284 610 HD23 LEU 77 HD23 LEU 77 -0.167 9.271 -1.521 611 H GLY 78 H GLY 78 3.368 12.495 0.250 612 HA2 GLY 78 HA2 GLY 78 3.710 13.244 -2.561 613 HA3 GLY 78 HA3 GLY 78 4.827 13.530 -1.236 614 H ASP 79 H ASP 79 4.968 12.238 -4.108 615 HA ASP 79 HA ASP 79 5.642 9.570 -3.983 616 HB2 ASP 79 HB2 ASP 79 5.313 10.839 -6.020 617 HB3 ASP 79 HB3 ASP 79 6.806 11.738 -5.761 618 H ALA 80 H ALA 80 7.807 12.190 -2.915 619 HA ALA 80 HA ALA 80 10.135 10.435 -2.663 620 HB1 ALA 80 HB1 ALA 80 11.101 12.326 -1.433 621 HB2 ALA 80 HB2 ALA 80 10.369 12.858 -2.954 622 HB3 ALA 80 HB3 ALA 80 9.525 13.143 -1.414 623 H GLU 81 H GLU 81 7.435 11.387 -0.516 624 HA GLU 81 HA GLU 81 8.545 9.996 1.801 625 HB2 GLU 81 HB2 GLU 81 7.083 11.136 2.956 626 HB3 GLU 81 HB3 GLU 81 6.714 12.020 1.499 627 HG2 GLU 81 HG2 GLU 81 4.802 10.437 1.071 628 HG3 GLU 81 HG3 GLU 81 5.163 9.643 2.602 629 H VAL 82 H VAL 82 6.327 9.193 -0.847 630 HA VAL 82 HA VAL 82 5.724 6.492 -0.061 631 HB VAL 82 HB VAL 82 6.152 7.617 -2.852 632 HG11 VAL 82 HG11 VAL 82 4.787 5.676 -3.624 633 HG12 VAL 82 HG12 VAL 82 6.326 5.162 -2.945 634 HG13 VAL 82 HG13 VAL 82 4.838 5.007 -1.987 635 HG21 VAL 82 HG21 VAL 82 3.764 7.804 -2.982 636 HG22 VAL 82 HG22 VAL 82 3.554 7.029 -1.396 637 HG23 VAL 82 HG23 VAL 82 4.271 8.648 -1.528 638 H SER 83 H SER 83 8.590 7.792 -1.913 639 HA SER 83 HA SER 83 9.836 5.275 -2.212 640 HB2 SER 83 HB2 SER 83 10.479 7.392 -3.384 641 HB3 SER 83 HB3 SER 83 11.273 7.930 -1.888 642 HG SER 83 HG SER 83 12.791 6.928 -3.179 643 H ALA 84 H ALA 84 10.048 7.496 0.573 644 HA ALA 84 HA ALA 84 11.939 5.868 2.052 645 HB1 ALA 84 HB1 ALA 84 11.712 8.227 2.507 646 HB2 ALA 84 HB2 ALA 84 9.987 8.048 2.871 647 HB3 ALA 84 HB3 ALA 84 11.209 7.325 3.948 648 H LEU 85 H LEU 85 8.331 6.004 2.018 649 HA LEU 85 HA LEU 85 7.944 4.011 4.050 650 HB2 LEU 85 HB2 LEU 85 6.291 5.686 3.386 651 HB3 LEU 85 HB3 LEU 85 6.212 5.016 1.760 652 HG LEU 85 HG LEU 85 5.193 2.946 2.611 653 HD11 LEU 85 HD11 LEU 85 5.334 4.312 5.333 654 HD12 LEU 85 HD12 LEU 85 6.165 2.815 4.856 655 HD13 LEU 85 HD13 LEU 85 4.402 2.840 4.962 656 HD21 LEU 85 HD21 LEU 85 3.758 4.838 1.968 657 HD22 LEU 85 HD22 LEU 85 3.846 5.489 3.618 658 HD23 LEU 85 HD23 LEU 85 3.046 3.938 3.318 659 H ILE 86 H ILE 86 8.316 3.764 0.554 660 HA ILE 86 HA ILE 86 7.917 0.905 0.214 661 HB ILE 86 HB ILE 86 9.024 3.177 -1.389 662 HG12 ILE 86 HG12 ILE 86 7.494 2.454 -3.037 663 HG13 ILE 86 HG13 ILE 86 7.323 0.850 -2.322 664 HG21 ILE 86 HG21 ILE 86 9.789 1.647 -3.189 665 HG22 ILE 86 HG22 ILE 86 10.837 1.619 -1.778 666 HG23 ILE 86 HG23 ILE 86 9.688 0.284 -2.057 667 HD11 ILE 86 HD11 ILE 86 6.241 3.365 -1.006 668 HD12 ILE 86 HD12 ILE 86 5.326 2.330 -2.098 669 HD13 ILE 86 HD13 ILE 86 5.914 1.680 -0.556 670 H SER 87 H SER 87 10.783 2.991 0.815 671 HA SER 87 HA SER 87 12.652 0.851 1.038 672 HB2 SER 87 HB2 SER 87 12.723 3.616 2.307 673 HB3 SER 87 HB3 SER 87 14.077 2.483 2.229 674 HG SER 87 HG SER 87 12.701 3.740 0.084 675 H TYR 88 H TYR 88 10.383 2.135 3.492 676 HA TYR 88 HA TYR 88 11.543 0.568 5.659 677 HB2 TYR 88 HB2 TYR 88 10.242 2.418 6.226 678 HB3 TYR 88 HB3 TYR 88 8.872 1.922 5.245 679 HD1 TYR 88 HD2 TYR 88 10.895 0.174 7.923 680 HD2 TYR 88 HD1 TYR 88 7.039 1.636 6.670 681 HE1 TYR 88 HE2 TYR 88 9.864 -0.838 9.928 682 HE2 TYR 88 HE1 TYR 88 6.009 0.668 8.711 683 HH TYR 88 HH TYR 88 6.360 -0.521 10.624 684 H LEU 89 H LEU 89 8.880 -0.106 3.347 685 HA LEU 89 HA LEU 89 8.377 -2.772 4.394 686 HB2 LEU 89 HB2 LEU 89 7.508 -1.133 2.026 687 HB3 LEU 89 HB3 LEU 89 7.322 -2.879 1.932 688 HG LEU 89 HG LEU 89 5.906 -2.971 3.864 689 HD11 LEU 89 HD11 LEU 89 6.278 0.037 4.171 690 HD12 LEU 89 HD12 LEU 89 6.806 -1.211 5.320 691 HD13 LEU 89 HD13 LEU 89 5.084 -0.953 5.045 692 HD21 LEU 89 HD21 LEU 89 4.916 -2.364 1.656 693 HD22 LEU 89 HD22 LEU 89 5.048 -0.648 2.091 694 HD23 LEU 89 HD23 LEU 89 3.983 -1.729 3.025 695 H GLU 90 H GLU 90 10.577 -1.551 1.887 696 HA GLU 90 HA GLU 90 11.450 -4.123 0.987 697 HB2 GLU 90 HB2 GLU 90 11.673 -1.940 -0.201 698 HB3 GLU 90 HB3 GLU 90 12.971 -1.492 0.900 699 HG2 GLU 90 HG2 GLU 90 13.187 -4.139 -0.551 700 HG3 GLU 90 HG3 GLU 90 13.310 -2.676 -1.519 701 H GLU 91 H GLU 91 12.821 -1.971 3.593 702 HA GLU 91 HA GLU 91 14.817 -3.933 4.386 703 HB2 GLU 91 HB2 GLU 91 13.434 -1.782 6.027 704 HB3 GLU 91 HB3 GLU 91 14.818 -2.731 6.564 705 HG2 GLU 91 HG2 GLU 91 14.871 -0.882 4.163 706 HG3 GLU 91 HG3 GLU 91 15.347 -0.412 5.785 707 H GLU 92 H GLU 92 11.336 -3.702 5.010 708 HA GLU 92 HA GLU 92 11.354 -5.674 7.092 709 HB2 GLU 92 HB2 GLU 92 9.496 -3.927 6.378 710 HB3 GLU 92 HB3 GLU 92 8.931 -5.261 5.377 711 HG2 GLU 92 HG2 GLU 92 7.753 -5.326 7.467 712 HG3 GLU 92 HG3 GLU 92 8.856 -6.697 7.423 713 H THR 93 H THR 93 11.983 -6.096 3.776 714 HA THR 93 HA THR 93 11.265 -8.955 3.674 715 HB THR 93 HB THR 93 12.563 -9.117 1.691 716 HG1 THR 93 HG1 THR 93 13.441 -6.443 2.018 717 HG21 THR 93 HG21 THR 93 10.407 -7.908 1.493 718 HG22 THR 93 HG22 THR 93 11.610 -7.377 0.284 719 HG23 THR 93 HG23 THR 93 11.282 -6.376 1.718 720 H ALA 94 H ALA 94 14.079 -7.033 4.439 721 HA ALA 94 HA ALA 94 15.809 -9.291 5.106 722 HB1 ALA 94 HB1 ALA 94 16.141 -6.345 5.818 723 HB2 ALA 94 HB2 ALA 94 17.401 -7.593 5.772 724 HB3 ALA 94 HB3 ALA 94 16.628 -7.073 4.276 725 H ARG 95 H ARG 95 13.569 -7.292 6.902 726 HA ARG 95 HA ARG 95 14.231 -8.539 9.508 727 HB2 ARG 95 HB2 ARG 95 12.381 -6.259 8.809 728 HB3 ARG 95 HB3 ARG 95 12.777 -6.780 10.444 729 HG2 ARG 95 HG2 ARG 95 15.069 -6.057 10.215 730 HG3 ARG 95 HG3 ARG 95 14.876 -5.759 8.480 731 HD2 ARG 95 HD2 ARG 95 13.114 -4.059 8.992 732 HD3 ARG 95 HD3 ARG 95 13.476 -4.251 10.720 733 HE ARG 95 HE ARG 95 15.931 -3.723 9.661 734 HH11 ARG 95 HH11 ARG 95 12.813 -2.013 9.337 735 HH12 ARG 95 HH12 ARG 95 13.575 -0.465 9.055 736 HH21 ARG 95 HH21 ARG 95 16.869 -1.694 9.281 737 HH22 ARG 95 HH22 ARG 95 15.866 -0.285 9.023 738 H LEU 96 H LEU 96 12.605 -9.788 7.171 739 HA LEU 96 HA LEU 96 9.879 -10.078 7.758 740 HB2 LEU 96 HB2 LEU 96 11.268 -10.588 5.685 741 HB3 LEU 96 HB3 LEU 96 11.667 -12.120 6.379 742 HG LEU 96 HG LEU 96 10.057 -12.549 4.790 743 HD11 LEU 96 HD11 LEU 96 9.463 -13.521 6.986 744 HD12 LEU 96 HD12 LEU 96 8.067 -13.275 5.908 745 HD13 LEU 96 HD13 LEU 96 8.370 -12.131 7.236 746 HD21 LEU 96 HD21 LEU 96 9.477 -10.291 4.286 747 HD22 LEU 96 HD22 LEU 96 8.609 -10.100 5.814 748 HD23 LEU 96 HD23 LEU 96 7.973 -11.206 4.563 749 H GLN 97 H GLN 97 12.585 -12.272 8.711 750 HA GLN 97 HA GLN 97 10.827 -14.193 9.870 751 HB2 GLN 97 HB2 GLN 97 12.740 -15.371 10.561 752 HB3 GLN 97 HB3 GLN 97 13.086 -14.666 8.987 753 HG2 GLN 97 HG2 GLN 97 14.402 -12.850 10.117 754 HG3 GLN 97 HG3 GLN 97 14.101 -13.621 11.675 755 HE21 GLN 97 HE21 GLN 97 16.753 -13.159 10.486 756 HE22 GLN 97 HE22 GLN 97 17.426 -14.751 10.166 757 H THR 98 H THR 98 11.462 -11.215 11.142 758 HA THR 98 HA THR 98 10.790 -12.013 13.950 759 HB THR 98 HB THR 98 13.019 -11.370 14.008 760 HG1 THR 98 HG1 THR 98 12.830 -9.683 15.423 761 HG21 THR 98 HG21 THR 98 13.907 -9.190 13.439 762 HG22 THR 98 HG22 THR 98 12.364 -8.681 12.744 763 HG23 THR 98 HG23 THR 98 13.305 -9.985 11.983 764 HA PRO 99 HA PRO 99 7.335 -9.251 12.757 765 HB2 PRO 99 HB2 PRO 99 5.248 -10.894 13.212 766 HB3 PRO 99 HB3 PRO 99 6.232 -11.060 11.729 767 HG2 PRO 99 HG2 PRO 99 6.496 -12.650 14.307 768 HG3 PRO 99 HG3 PRO 99 6.375 -13.275 12.633 769 HD2 PRO 99 HD2 PRO 99 8.774 -12.879 13.938 770 HD3 PRO 99 HD3 PRO 99 8.595 -12.719 12.164 771 H VAL 100 H VAL 100 8.938 -8.871 14.841 772 HA VAL 100 HA VAL 100 7.955 -9.758 17.381 773 HB VAL 100 HB VAL 100 10.279 -9.445 16.997 774 HG11 VAL 100 HG11 VAL 100 9.822 -6.433 16.793 775 HG12 VAL 100 HG12 VAL 100 11.384 -7.274 16.832 776 HG13 VAL 100 HG13 VAL 100 10.306 -7.507 15.459 777 HG21 VAL 100 HG21 VAL 100 10.886 -8.277 19.046 778 HG22 VAL 100 HG22 VAL 100 9.343 -7.409 19.076 779 HG23 VAL 100 HG23 VAL 100 9.384 -9.171 19.315 780 H THR 101 H THR 101 6.537 -8.931 18.764 781 HA THR 101 HA THR 101 5.801 -6.104 18.797 782 HB THR 101 HB THR 101 4.461 -7.022 16.895 783 HG1 THR 101 HG1 THR 101 2.378 -6.342 18.099 784 HG21 THR 101 HG21 THR 101 2.574 -8.461 17.279 785 HG22 THR 101 HG22 THR 101 2.906 -8.550 19.022 786 HG23 THR 101 HG23 THR 101 4.022 -9.293 17.855 787 H ASN 102 H ASN 102 3.783 -5.914 20.295 788 HA ASN 102 HA ASN 102 3.774 -7.672 22.634 789 HB2 ASN 102 HB2 ASN 102 4.496 -5.923 24.183 790 HB3 ASN 102 HB3 ASN 102 5.770 -6.218 23.016 791 HD21 ASN 102 HD21 ASN 102 3.909 -3.805 24.501 792 HD22 ASN 102 HD22 ASN 102 4.211 -2.510 23.351 793 H ARG 103 H ARG 103 1.936 -7.331 23.929 794 HA ARG 103 HA ARG 103 -0.401 -6.273 22.700 795 HB2 ARG 103 HB2 ARG 103 -0.268 -8.152 24.328 796 HB3 ARG 103 HB3 ARG 103 0.136 -7.001 25.605 797 HG2 ARG 103 HG2 ARG 103 -2.114 -5.897 25.247 798 HG3 ARG 103 HG3 ARG 103 -2.469 -7.119 24.015 799 HD2 ARG 103 HD2 ARG 103 -3.519 -7.801 26.073 800 HD3 ARG 103 HD3 ARG 103 -2.159 -8.894 25.768 801 HE ARG 103 HE ARG 103 -1.755 -6.525 27.520 802 HH11 ARG 103 HH11 ARG 103 -2.064 -10.079 27.350 803 HH12 ARG 103 HH12 ARG 103 -1.420 -10.306 28.960 804 HH21 ARG 103 HH21 ARG 103 -0.929 -6.873 29.585 805 HH22 ARG 103 HH22 ARG 103 -0.779 -8.495 30.222 806 H GLY 104 H GLY 104 -1.475 -4.424 22.878 807 HA2 GLY 104 HA2 GLY 104 -1.464 -2.684 25.124 808 HA3 GLY 104 HA3 GLY 104 -0.485 -1.952 23.854 809 H ILE 105 H ILE 105 -3.194 -1.343 25.073 810 HA ILE 105 HA ILE 105 -4.714 -0.831 22.603 811 HB ILE 105 HB ILE 105 -6.785 -1.610 23.445 812 HG12 ILE 105 HG12 ILE 105 -6.744 -1.208 25.789 813 HG13 ILE 105 HG13 ILE 105 -7.146 -2.882 25.478 814 HG21 ILE 105 HG21 ILE 105 -6.525 -3.989 23.379 815 HG22 ILE 105 HG22 ILE 105 -5.395 -3.234 22.251 816 HG23 ILE 105 HG23 ILE 105 -4.812 -3.882 23.802 817 HD11 ILE 105 HD11 ILE 105 -5.724 -2.802 27.400 818 HD12 ILE 105 HD12 ILE 105 -4.766 -3.513 26.089 819 HD13 ILE 105 HD13 ILE 105 -4.517 -1.815 26.568 820 HA PRO 106 HA PRO 106 -5.461 3.129 24.315 821 HB2 PRO 106 HB2 PRO 106 -8.410 2.805 23.755 822 HB3 PRO 106 HB3 PRO 106 -7.330 4.178 23.359 823 HG2 PRO 106 HG2 PRO 106 -7.947 2.408 21.434 824 HG3 PRO 106 HG3 PRO 106 -6.238 2.922 21.632 825 HD2 PRO 106 HD2 PRO 106 -7.577 0.412 22.683 826 HD3 PRO 106 HD3 PRO 106 -6.038 0.576 21.781 827 HHA HEC 107 HHA HEC 107 -5.174 -3.938 0.850 828 HHB HEC 107 HHB HEC 107 -0.037 -0.036 1.262 829 HHC HEC 107 HHC HEC 107 -3.740 4.432 4.144 830 HHD HEC 107 HHD HEC 107 -8.411 0.006 4.796 831 HMA1 HEC 107 HMA1 HEC 107 0.645 -2.340 0.820 832 HMA2 HEC 107 HMA2 HEC 107 -0.001 -3.559 -0.276 833 HMA3 HEC 107 HMA3 HEC 107 0.099 -1.869 -0.808 834 HAA1 HEC 107 HAA1 HEC 107 -3.656 -4.441 -0.856 835 HAA2 HEC 107 HAA2 HEC 107 -1.996 -4.189 -1.301 836 HBA1 HEC 107 HBA1 HEC 107 -1.283 -5.452 0.776 837 HBA2 HEC 107 HBA2 HEC 107 -2.978 -5.820 1.077 838 HMB1 HEC 107 HMB1 HEC 107 1.076 3.516 1.943 839 HMB2 HEC 107 HMB2 HEC 107 1.387 2.088 2.933 840 HMB3 HEC 107 HMB3 HEC 107 1.037 1.933 1.199 841 HAB HEC 107 HAB HEC 107 -1.853 5.217 3.923 842 HBB1 HEC 107 HBB1 HEC 107 -0.836 6.651 2.344 843 HBB2 HEC 107 HBB2 HEC 107 -0.144 5.294 1.439 844 HBB3 HEC 107 HBB3 HEC 107 -1.900 5.516 1.488 845 HMC1 HEC 107 HMC1 HEC 107 -5.159 5.188 5.626 846 HMC2 HEC 107 HMC2 HEC 107 -6.660 5.474 4.722 847 HMC3 HEC 107 HMC3 HEC 107 -6.700 4.862 6.381 848 HAC HEC 107 HAC HEC 107 -8.995 1.693 5.797 849 HBC1 HEC 107 HBC1 HEC 107 -8.897 4.700 5.587 850 HBC2 HEC 107 HBC2 HEC 107 -9.590 3.585 4.389 851 HBC3 HEC 107 HBC3 HEC 107 -10.274 3.679 6.018 852 HMD1 HEC 107 HMD1 HEC 107 -9.236 -2.074 5.032 853 HMD2 HEC 107 HMD2 HEC 107 -9.929 -2.372 3.422 854 HMD3 HEC 107 HMD3 HEC 107 -9.152 -3.681 4.307 855 HAD1 HEC 107 HAD1 HEC 107 -7.273 -4.933 1.495 856 HAD2 HEC 107 HAD2 HEC 107 -8.839 -4.342 2.044 857 HBD1 HEC 107 HBD1 HEC 107 -7.320 -3.288 -0.373 858 HBD2 HEC 107 HBD2 HEC 107 -8.770 -4.281 -0.370 Start of MODEL 3 1 H SER 1 H SER 1 14.472 5.311 7.620 2 HA SER 1 HA SER 1 13.637 7.140 6.624 3 HB2 SER 1 HB2 SER 1 13.200 5.518 4.107 4 HB3 SER 1 HB3 SER 1 13.187 7.279 4.270 5 HG SER 1 HG SER 1 15.433 5.646 4.952 6 H GLY 2 H GLY 2 11.489 4.369 5.743 7 HA2 GLY 2 HA2 GLY 2 9.181 6.071 5.614 8 HA3 GLY 2 HA3 GLY 2 9.210 4.348 5.468 9 H GLU 3 H GLU 3 10.380 4.176 8.408 10 HA GLU 3 HA GLU 3 8.001 3.306 9.495 11 HB2 GLU 3 HB2 GLU 3 10.301 2.810 10.386 12 HB3 GLU 3 HB3 GLU 3 10.299 4.412 11.138 13 HG2 GLU 3 HG2 GLU 3 7.979 3.456 12.182 14 HG3 GLU 3 HG3 GLU 3 8.743 1.916 11.825 15 H GLN 4 H GLN 4 9.438 6.555 10.284 16 HA GLN 4 HA GLN 4 7.358 7.343 12.068 17 HB2 GLN 4 HB2 GLN 4 9.171 8.997 10.259 18 HB3 GLN 4 HB3 GLN 4 8.065 9.695 11.450 19 HG2 GLN 4 HG2 GLN 4 9.203 8.474 13.273 20 HG3 GLN 4 HG3 GLN 4 10.325 7.766 12.111 21 HE21 GLN 4 HE21 GLN 4 11.787 8.894 13.812 22 HE22 GLN 4 HE22 GLN 4 12.275 10.539 13.356 23 H ILE 5 H ILE 5 7.460 7.466 8.534 24 HA ILE 5 HA ILE 5 5.128 9.193 8.223 25 HB ILE 5 HB ILE 5 6.410 7.268 6.222 26 HG12 ILE 5 HG12 ILE 5 7.034 10.235 6.566 27 HG13 ILE 5 HG13 ILE 5 8.077 8.934 7.140 28 HG21 ILE 5 HG21 ILE 5 4.088 8.129 5.665 29 HG22 ILE 5 HG22 ILE 5 4.742 9.777 5.714 30 HG23 ILE 5 HG23 ILE 5 5.325 8.601 4.515 31 HD11 ILE 5 HD11 ILE 5 7.424 9.512 4.243 32 HD12 ILE 5 HD12 ILE 5 8.969 9.688 5.071 33 HD13 ILE 5 HD13 ILE 5 8.289 8.069 4.810 34 H PHE 6 H PHE 6 5.719 5.631 8.060 35 HA PHE 6 HA PHE 6 2.976 4.928 7.593 36 HB2 PHE 6 HB2 PHE 6 4.859 3.365 7.242 37 HB3 PHE 6 HB3 PHE 6 5.198 3.354 8.969 38 HD1 PHE 6 HD1 PHE 6 2.648 2.467 6.388 39 HD2 PHE 6 HD2 PHE 6 3.911 1.970 10.479 40 HE1 PHE 6 HE1 PHE 6 0.831 0.811 6.755 41 HE2 PHE 6 HE2 PHE 6 2.141 0.270 10.819 42 HZ PHE 6 HZ PHE 6 0.577 -0.291 8.969 43 H ARG 7 H ARG 7 4.846 5.131 10.631 44 HA ARG 7 HA ARG 7 2.798 4.473 12.435 45 HB2 ARG 7 HB2 ARG 7 5.243 4.506 12.840 46 HB3 ARG 7 HB3 ARG 7 5.199 6.276 12.925 47 HG2 ARG 7 HG2 ARG 7 3.764 6.194 14.894 48 HG3 ARG 7 HG3 ARG 7 3.547 4.446 14.736 49 HD2 ARG 7 HD2 ARG 7 6.201 5.842 15.295 50 HD3 ARG 7 HD3 ARG 7 5.163 5.128 16.532 51 HE ARG 7 HE ARG 7 6.924 3.750 14.660 52 HH11 ARG 7 HH11 ARG 7 4.134 3.292 16.839 53 HH12 ARG 7 HH12 ARG 7 4.397 1.568 16.973 54 HH21 ARG 7 HH21 ARG 7 7.222 1.530 14.863 55 HH22 ARG 7 HH22 ARG 7 6.147 0.571 15.854 56 H THR 8 H THR 8 3.324 7.536 10.793 57 HA THR 8 HA THR 8 1.348 8.897 12.563 58 HB THR 8 HB THR 8 2.045 10.975 11.359 59 HG1 THR 8 HG1 THR 8 4.241 9.485 10.478 60 HG21 THR 8 HG21 THR 8 4.268 11.101 12.496 61 HG22 THR 8 HG22 THR 8 4.183 9.357 12.820 62 HG23 THR 8 HG23 THR 8 2.992 10.458 13.533 63 H ARG 9 H ARG 9 1.594 7.817 9.185 64 HA ARG 9 HA ARG 9 -1.033 9.137 8.645 65 HB2 ARG 9 HB2 ARG 9 1.097 8.204 6.697 66 HB3 ARG 9 HB3 ARG 9 -0.434 8.982 6.293 67 HG2 ARG 9 HG2 ARG 9 0.337 10.939 7.815 68 HG3 ARG 9 HG3 ARG 9 1.934 10.181 7.771 69 HD2 ARG 9 HD2 ARG 9 1.897 11.867 6.081 70 HD3 ARG 9 HD3 ARG 9 1.847 10.306 5.243 71 HE ARG 9 HE ARG 9 -0.789 10.872 5.459 72 HH11 ARG 9 HH11 ARG 9 1.878 12.933 4.283 73 HH12 ARG 9 HH12 ARG 9 0.828 13.854 3.229 74 HH21 ARG 9 HH21 ARG 9 -2.096 12.087 4.091 75 HH22 ARG 9 HH22 ARG 9 -1.417 13.373 3.119 76 H CYS 10 H CYS 10 0.285 5.937 8.900 77 HA CYS 10 HA CYS 10 -2.012 4.797 7.332 78 HB2 CYS 10 HB2 CYS 10 0.829 3.827 7.494 79 HB3 CYS 10 HB3 CYS 10 -0.404 3.262 6.371 80 H SER 11 H SER 11 -0.357 4.530 10.353 81 HA SER 11 HA SER 11 -0.524 1.647 10.552 82 HB2 SER 11 HB2 SER 11 1.343 3.098 11.359 83 HB3 SER 11 HB3 SER 11 0.302 3.638 12.689 84 HG SER 11 HG SER 11 1.838 1.759 12.946 85 H SER 12 H SER 12 -3.017 3.783 11.066 86 HA SER 12 HA SER 12 -4.128 2.246 13.380 87 HB2 SER 12 HB2 SER 12 -4.797 5.006 12.352 88 HB3 SER 12 HB3 SER 12 -5.686 4.153 13.636 89 HG SER 12 HG SER 12 -4.007 5.525 14.434 90 H CYS 13 H CYS 13 -4.657 2.659 9.951 91 HA CYS 13 HA CYS 13 -7.049 0.867 10.163 92 HB2 CYS 13 HB2 CYS 13 -5.553 1.994 7.778 93 HB3 CYS 13 HB3 CYS 13 -6.796 0.758 7.666 94 H HIS 14 H HIS 14 -3.620 0.799 9.056 95 HA HIS 14 HA HIS 14 -3.773 -2.086 8.440 96 HB2 HIS 14 2HB HIS 14 -1.747 0.115 7.956 97 HB3 HIS 14 3HB HIS 14 -1.357 -1.554 7.649 98 HD1 HIS 14 1HD HIS 14 -2.775 -2.873 5.760 99 HD2 HIS 14 2HD HIS 14 -3.002 1.285 6.111 100 HE1 HIS 14 1HE HIS 14 -3.585 -2.069 3.502 101 H THR 15 H THR 15 -1.726 -3.151 8.714 102 HA THR 15 HA THR 15 -0.143 -2.693 11.117 103 HB THR 15 HB THR 15 -0.046 -5.207 11.601 104 HG1 THR 15 HG1 THR 15 -2.655 -5.166 10.507 105 HG21 THR 15 HG21 THR 15 -1.098 -3.652 13.170 106 HG22 THR 15 HG22 THR 15 -1.964 -5.198 13.118 107 HG23 THR 15 HG23 THR 15 -2.633 -3.769 12.293 108 H VAL 16 H VAL 16 1.988 -3.615 10.933 109 HA VAL 16 HA VAL 16 2.599 -4.922 8.293 110 HB VAL 16 HB VAL 16 4.739 -3.382 9.783 111 HG11 VAL 16 HG11 VAL 16 5.784 -3.490 7.527 112 HG12 VAL 16 HG12 VAL 16 5.379 -5.105 8.130 113 HG13 VAL 16 HG13 VAL 16 4.371 -4.347 6.899 114 HG21 VAL 16 HG21 VAL 16 4.506 -1.555 8.161 115 HG22 VAL 16 HG22 VAL 16 2.976 -2.249 7.593 116 HG23 VAL 16 HG23 VAL 16 3.136 -1.671 9.263 117 H GLY 17 H GLY 17 2.133 -6.903 9.077 118 HA2 GLY 17 HA2 GLY 17 2.738 -8.947 9.942 119 HA3 GLY 17 HA3 GLY 17 4.277 -8.243 10.432 120 H ASN 18 H ASN 18 2.219 -6.347 12.125 121 HA ASN 18 HA ASN 18 1.992 -8.058 14.502 122 HB2 ASN 18 HB2 ASN 18 2.336 -5.551 14.557 123 HB3 ASN 18 HB3 ASN 18 0.701 -5.358 13.929 124 HD21 ASN 18 HD21 ASN 18 0.023 -4.201 15.832 125 HD22 ASN 18 HD22 ASN 18 -0.173 -5.054 17.355 126 H THR 19 H THR 19 0.488 -8.291 11.626 127 HA THR 19 HA THR 19 -2.287 -8.378 12.256 128 HB THR 19 HB THR 19 -1.163 -9.921 9.937 129 HG1 THR 19 HG1 THR 19 -1.199 -7.092 10.010 130 HG21 THR 19 HG21 THR 19 -3.613 -9.593 10.190 131 HG22 THR 19 HG22 THR 19 -3.005 -8.776 8.746 132 HG23 THR 19 HG23 THR 19 -3.374 -7.832 10.201 133 H GLU 20 H GLU 20 -3.641 -10.039 12.658 134 HA GLU 20 HA GLU 20 -2.522 -12.780 13.124 135 HB2 GLU 20 HB2 GLU 20 -4.832 -11.329 14.470 136 HB3 GLU 20 HB3 GLU 20 -4.444 -13.030 14.718 137 HG2 GLU 20 HG2 GLU 20 -2.069 -12.211 15.370 138 HG3 GLU 20 HG3 GLU 20 -2.802 -10.608 15.524 139 HA PRO 21 HA PRO 21 -5.273 -14.259 9.978 140 HB2 PRO 21 HB2 PRO 21 -6.113 -16.721 10.884 141 HB3 PRO 21 HB3 PRO 21 -4.443 -16.376 10.350 142 HG2 PRO 21 HG2 PRO 21 -5.528 -16.322 13.190 143 HG3 PRO 21 HG3 PRO 21 -4.083 -17.196 12.579 144 HD2 PRO 21 HD2 PRO 21 -3.815 -14.806 13.751 145 HD3 PRO 21 HD3 PRO 21 -2.871 -15.178 12.283 146 H GLY 22 H GLY 22 -7.554 -15.244 9.608 147 HA2 GLY 22 HA2 GLY 22 -9.852 -15.412 10.189 148 HA3 GLY 22 HA3 GLY 22 -9.582 -14.404 11.603 149 H GLN 23 H GLN 23 -11.623 -13.408 10.841 150 HA GLN 23 HA GLN 23 -11.857 -12.318 8.292 151 HB2 GLN 23 HB2 GLN 23 -13.902 -11.298 8.976 152 HB3 GLN 23 HB3 GLN 23 -13.749 -12.879 9.725 153 HG2 GLN 23 HG2 GLN 23 -13.100 -11.791 11.875 154 HG3 GLN 23 HG3 GLN 23 -13.289 -10.204 11.113 155 HE21 GLN 23 HE21 GLN 23 -15.504 -9.462 10.535 156 HE22 GLN 23 HE22 GLN 23 -16.861 -10.317 11.257 157 HA PRO 24 HA PRO 24 -9.577 -8.550 8.274 158 HB2 PRO 24 HB2 PRO 24 -10.680 -7.207 6.170 159 HB3 PRO 24 HB3 PRO 24 -9.760 -8.732 5.970 160 HG2 PRO 24 HG2 PRO 24 -12.768 -8.392 6.188 161 HG3 PRO 24 HG3 PRO 24 -11.850 -9.289 4.930 162 HD2 PRO 24 HD2 PRO 24 -12.916 -10.571 7.041 163 HD3 PRO 24 HD3 PRO 24 -11.300 -11.024 6.422 164 H GLY 25 H GLY 25 -9.588 -6.333 8.661 165 HA2 GLY 25 HA2 GLY 25 -12.103 -5.008 9.622 166 HA3 GLY 25 HA3 GLY 25 -10.497 -4.716 10.298 167 H ILE 26 H ILE 26 -9.954 -2.684 9.712 168 HA ILE 26 HA ILE 26 -10.889 -1.505 7.227 169 HB ILE 26 HB ILE 26 -8.978 0.126 8.694 170 HG12 ILE 26 HG12 ILE 26 -11.492 -0.756 10.153 171 HG13 ILE 26 HG13 ILE 26 -9.801 -0.969 10.668 172 HG21 ILE 26 HG21 ILE 26 -10.652 1.810 8.235 173 HG22 ILE 26 HG22 ILE 26 -10.550 0.789 6.809 174 HG23 ILE 26 HG23 ILE 26 -11.898 0.577 7.948 175 HD11 ILE 26 HD11 ILE 26 -9.560 1.535 10.627 176 HD12 ILE 26 HD12 ILE 26 -11.329 1.622 10.409 177 HD13 ILE 26 HD13 ILE 26 -10.650 0.891 11.879 178 H GLY 27 H GLY 27 -7.880 -3.025 8.176 179 HA2 GLY 27 HA2 GLY 27 -6.604 -2.225 5.601 180 HA3 GLY 27 HA3 GLY 27 -5.854 -1.699 7.083 181 HA PRO 28 HA PRO 28 -5.142 -6.437 6.472 182 HB2 PRO 28 HB2 PRO 28 -3.944 -6.288 3.740 183 HB3 PRO 28 HB3 PRO 28 -5.070 -7.488 4.416 184 HG2 PRO 28 HG2 PRO 28 -5.903 -5.622 2.621 185 HG3 PRO 28 HG3 PRO 28 -6.943 -6.141 3.984 186 HD2 PRO 28 HD2 PRO 28 -5.224 -3.670 3.784 187 HD3 PRO 28 HD3 PRO 28 -6.909 -3.849 4.357 188 H ASP 29 H ASP 29 -2.971 -7.682 6.073 189 HA ASP 29 HA ASP 29 -0.794 -6.345 7.353 190 HB2 ASP 29 HB2 ASP 29 -1.251 -8.824 7.342 191 HB3 ASP 29 HB3 ASP 29 -0.862 -8.863 5.636 192 H LEU 30 H LEU 30 1.360 -6.192 6.487 193 HA LEU 30 HA LEU 30 1.696 -5.381 3.641 194 HB2 LEU 30 HB2 LEU 30 2.367 -3.703 6.080 195 HB3 LEU 30 HB3 LEU 30 2.784 -3.271 4.424 196 HG LEU 30 HG LEU 30 -0.046 -3.555 5.503 197 HD11 LEU 30 HD11 LEU 30 -0.086 -1.067 5.338 198 HD12 LEU 30 HD12 LEU 30 1.669 -1.088 5.015 199 HD13 LEU 30 HD13 LEU 30 1.022 -1.687 6.561 200 HD21 LEU 30 HD21 LEU 30 -0.651 -2.334 3.396 201 HD22 LEU 30 HD22 LEU 30 0.156 -3.852 3.005 202 HD23 LEU 30 HD23 LEU 30 1.058 -2.330 2.901 203 H LEU 31 H LEU 31 3.056 -7.032 6.382 204 HA LEU 31 HA LEU 31 5.769 -6.173 6.331 205 HB2 LEU 31 HB2 LEU 31 4.706 -7.391 8.110 206 HB3 LEU 31 HB3 LEU 31 4.662 -8.862 7.159 207 HG LEU 31 HG LEU 31 7.316 -7.422 7.451 208 HD11 LEU 31 HD11 LEU 31 6.368 -7.335 9.699 209 HD12 LEU 31 HD12 LEU 31 7.783 -8.391 9.601 210 HD13 LEU 31 HD13 LEU 31 6.161 -9.113 9.683 211 HD21 LEU 31 HD21 LEU 31 6.570 -10.377 7.592 212 HD22 LEU 31 HD22 LEU 31 8.216 -9.693 7.570 213 HD23 LEU 31 HD23 LEU 31 7.183 -9.537 6.151 214 H GLY 32 H GLY 32 4.307 -8.756 4.555 215 HA2 GLY 32 HA2 GLY 32 6.851 -9.331 3.073 216 HA3 GLY 32 HA3 GLY 32 5.422 -10.360 3.128 217 H VAL 33 H VAL 33 3.975 -7.493 2.552 218 HA VAL 33 HA VAL 33 3.194 -8.494 0.098 219 HB VAL 33 HB VAL 33 1.958 -6.911 1.657 220 HG11 VAL 33 HG11 VAL 33 3.548 -4.966 1.506 221 HG12 VAL 33 HG12 VAL 33 3.057 -4.749 -0.188 222 HG13 VAL 33 HG13 VAL 33 1.867 -4.570 1.112 223 HG21 VAL 33 HG21 VAL 33 1.713 -6.506 -1.346 224 HG22 VAL 33 HG22 VAL 33 1.054 -7.879 -0.426 225 HG23 VAL 33 HG23 VAL 33 0.457 -6.249 -0.120 226 H THR 34 H THR 34 5.720 -6.032 0.538 227 HA THR 34 HA THR 34 6.003 -5.295 -2.237 228 HB THR 34 HB THR 34 8.341 -4.632 -1.588 229 HG1 THR 34 HG1 THR 34 7.571 -5.358 1.033 230 HG21 THR 34 HG21 THR 34 6.175 -3.668 0.316 231 HG22 THR 34 HG22 THR 34 6.489 -3.046 -1.318 232 HG23 THR 34 HG23 THR 34 7.716 -2.858 -0.057 233 H ARG 35 H ARG 35 6.948 -8.165 -0.557 234 HA ARG 35 HA ARG 35 8.652 -9.162 -2.767 235 HB2 ARG 35 HB2 ARG 35 9.476 -9.294 -0.447 236 HB3 ARG 35 HB3 ARG 35 8.069 -10.242 0.016 237 HG2 ARG 35 HG2 ARG 35 9.970 -11.683 -0.214 238 HG3 ARG 35 HG3 ARG 35 8.798 -12.088 -1.464 239 HD2 ARG 35 HD2 ARG 35 10.142 -10.855 -3.141 240 HD3 ARG 35 HD3 ARG 35 11.284 -10.372 -1.867 241 HE ARG 35 HE ARG 35 10.891 -13.243 -2.030 242 HH11 ARG 35 HH11 ARG 35 12.772 -10.556 -3.434 243 HH12 ARG 35 HH12 ARG 35 14.085 -11.602 -3.929 244 HH21 ARG 35 HH21 ARG 35 12.611 -14.552 -2.683 245 HH22 ARG 35 HH22 ARG 35 13.992 -13.863 -3.505 246 H GLN 36 H GLN 36 5.491 -9.685 -1.264 247 HA GLN 36 HA GLN 36 5.080 -12.198 -2.742 248 HB2 GLN 36 HB2 GLN 36 3.331 -10.850 -0.683 249 HB3 GLN 36 HB3 GLN 36 3.094 -12.461 -1.348 250 HG2 GLN 36 HG2 GLN 36 5.433 -11.571 0.388 251 HG3 GLN 36 HG3 GLN 36 4.083 -12.555 0.888 252 HE21 GLN 36 HE21 GLN 36 3.881 -14.763 -0.319 253 HE22 GLN 36 HE22 GLN 36 5.438 -15.560 -0.407 254 H ARG 37 H ARG 37 3.991 -8.879 -3.205 255 HA ARG 37 HA ARG 37 2.300 -9.870 -5.468 256 HB2 ARG 37 HB2 ARG 37 1.548 -7.946 -3.303 257 HB3 ARG 37 HB3 ARG 37 1.032 -7.558 -4.948 258 HG2 ARG 37 HG2 ARG 37 0.044 -9.807 -5.205 259 HG3 ARG 37 HG3 ARG 37 0.492 -10.213 -3.545 260 HD2 ARG 37 HD2 ARG 37 -1.293 -7.850 -4.277 261 HD3 ARG 37 HD3 ARG 37 -1.926 -9.467 -3.976 262 HE ARG 37 HE ARG 37 -0.776 -7.597 -2.013 263 HH11 ARG 37 HH11 ARG 37 -2.039 -10.889 -2.564 264 HH12 ARG 37 HH12 ARG 37 -2.335 -11.166 -0.861 265 HH21 ARG 37 HH21 ARG 37 -1.181 -7.995 0.162 266 HH22 ARG 37 HH22 ARG 37 -1.848 -9.526 0.683 267 H ASP 38 H ASP 38 1.848 -8.228 -7.111 268 HA ASP 38 HA ASP 38 4.232 -7.804 -8.475 269 HB2 ASP 38 HB2 ASP 38 1.407 -6.817 -8.930 270 HB3 ASP 38 HB3 ASP 38 2.719 -6.380 -10.025 271 H ALA 39 H ALA 39 5.763 -6.379 -8.563 272 HA ALA 39 HA ALA 39 5.929 -4.697 -6.307 273 HB1 ALA 39 HB1 ALA 39 8.295 -4.453 -7.113 274 HB2 ALA 39 HB2 ALA 39 7.731 -6.135 -7.131 275 HB3 ALA 39 HB3 ALA 39 7.825 -5.209 -8.645 276 H ASN 40 H ASN 40 5.642 -3.739 -9.748 277 HA ASN 40 HA ASN 40 5.978 -0.871 -9.144 278 HB2 ASN 40 HB2 ASN 40 6.640 -1.756 -11.331 279 HB3 ASN 40 HB3 ASN 40 5.012 -2.386 -11.610 280 HD21 ASN 40 HD21 ASN 40 3.775 -1.111 -12.938 281 HD22 ASN 40 HD22 ASN 40 4.131 0.608 -13.185 282 H TRP 41 H TRP 41 3.280 -3.097 -9.863 283 HA TRP 41 HA TRP 41 1.151 -1.257 -9.892 284 HB2 TRP 41 HB2 TRP 41 0.959 -3.582 -10.619 285 HB3 TRP 41 HB3 TRP 41 1.209 -4.154 -8.973 286 HD1 TRP 41 HD1 TRP 41 -1.406 -2.499 -11.199 287 HE1 TRP 41 HE1 TRP 41 -3.721 -2.714 -10.136 288 HE3 TRP 41 HE3 TRP 41 -0.017 -4.395 -6.652 289 HZ2 TRP 41 HZ2 TRP 41 -4.820 -3.475 -7.562 290 HZ3 TRP 41 HZ3 TRP 41 -1.725 -4.818 -4.891 291 HH2 TRP 41 HH2 TRP 41 -4.121 -4.350 -5.336 292 H LEU 42 H LEU 42 2.513 -3.003 -7.048 293 HA LEU 42 HA LEU 42 0.820 -1.950 -5.055 294 HB2 LEU 42 HB2 LEU 42 3.734 -2.814 -5.136 295 HB3 LEU 42 HB3 LEU 42 3.031 -2.253 -3.634 296 HG LEU 42 HG LEU 42 1.876 -4.585 -5.221 297 HD11 LEU 42 HD11 LEU 42 2.991 -5.995 -3.547 298 HD12 LEU 42 HD12 LEU 42 3.732 -4.564 -2.800 299 HD13 LEU 42 HD13 LEU 42 4.174 -5.060 -4.453 300 HD21 LEU 42 HD21 LEU 42 0.750 -5.120 -3.095 301 HD22 LEU 42 HD22 LEU 42 0.250 -3.535 -3.679 302 HD23 LEU 42 HD23 LEU 42 1.432 -3.656 -2.352 303 H VAL 43 H VAL 43 3.641 -0.362 -6.542 304 HA VAL 43 HA VAL 43 3.609 1.804 -4.557 305 HB VAL 43 HB VAL 43 5.417 1.400 -6.962 306 HG11 VAL 43 HG11 VAL 43 5.660 3.256 -4.549 307 HG12 VAL 43 HG12 VAL 43 6.937 2.967 -5.749 308 HG13 VAL 43 HG13 VAL 43 5.438 3.755 -6.239 309 HG21 VAL 43 HG21 VAL 43 5.688 -0.418 -5.303 310 HG22 VAL 43 HG22 VAL 43 7.080 0.659 -5.252 311 HG23 VAL 43 HG23 VAL 43 5.831 0.763 -3.995 312 H ARG 44 H ARG 44 2.472 1.318 -7.850 313 HA ARG 44 HA ARG 44 1.526 4.083 -8.230 314 HB2 ARG 44 HB2 ARG 44 0.852 1.374 -9.442 315 HB3 ARG 44 HB3 ARG 44 -0.043 2.819 -9.881 316 HG2 ARG 44 HG2 ARG 44 2.994 2.676 -10.125 317 HG3 ARG 44 HG3 ARG 44 1.923 2.092 -11.397 318 HD2 ARG 44 HD2 ARG 44 1.847 4.937 -10.303 319 HD3 ARG 44 HD3 ARG 44 2.738 4.434 -11.750 320 HE ARG 44 HE ARG 44 0.106 3.525 -12.076 321 HH11 ARG 44 HH11 ARG 44 1.739 6.688 -11.848 322 HH12 ARG 44 HH12 ARG 44 0.540 7.491 -12.836 323 HH21 ARG 44 HH21 ARG 44 -1.418 4.603 -13.347 324 HH22 ARG 44 HH22 ARG 44 -1.247 6.312 -13.683 325 H TRP 45 H TRP 45 0.047 1.015 -7.063 326 HA TRP 45 HA TRP 45 -2.574 1.887 -6.688 327 HB2 TRP 45 HB2 TRP 45 -1.920 -0.460 -6.546 328 HB3 TRP 45 HB3 TRP 45 -0.999 -0.159 -5.076 329 HD1 TRP 45 HD1 TRP 45 -2.302 -0.259 -2.824 330 HE1 TRP 45 HE1 TRP 45 -4.809 -0.614 -2.150 331 HE3 TRP 45 HE3 TRP 45 -4.500 0.243 -7.385 332 HZ2 TRP 45 HZ2 TRP 45 -7.303 -0.973 -3.470 333 HZ3 TRP 45 HZ3 TRP 45 -6.982 0.021 -7.638 334 HH2 TRP 45 HH2 TRP 45 -8.377 -0.615 -5.687 335 H LEU 46 H LEU 46 0.011 1.937 -4.138 336 HA LEU 46 HA LEU 46 -1.823 3.096 -2.276 337 HB2 LEU 46 HB2 LEU 46 -0.244 2.863 -0.718 338 HB3 LEU 46 HB3 LEU 46 0.370 1.737 -1.926 339 HG LEU 46 HG LEU 46 1.475 4.477 -1.199 340 HD11 LEU 46 HD11 LEU 46 3.446 3.155 -0.621 341 HD12 LEU 46 HD12 LEU 46 2.681 1.674 -1.239 342 HD13 LEU 46 HD13 LEU 46 2.047 2.476 0.212 343 HD21 LEU 46 HD21 LEU 46 1.881 4.485 -3.521 344 HD22 LEU 46 HD22 LEU 46 1.978 2.720 -3.594 345 HD23 LEU 46 HD23 LEU 46 3.312 3.667 -2.917 346 H LYS 47 H LYS 47 -0.260 4.613 -4.845 347 HA LYS 47 HA LYS 47 -0.372 7.340 -3.691 348 HB2 LYS 47 HB2 LYS 47 0.885 6.070 -6.111 349 HB3 LYS 47 HB3 LYS 47 0.303 7.714 -6.314 350 HG2 LYS 47 HG2 LYS 47 1.553 8.364 -4.216 351 HG3 LYS 47 HG3 LYS 47 2.255 6.744 -4.192 352 HD2 LYS 47 HD2 LYS 47 2.597 8.785 -6.435 353 HD3 LYS 47 HD3 LYS 47 3.746 8.527 -5.122 354 HE2 LYS 47 HE2 LYS 47 4.046 6.152 -5.867 355 HE3 LYS 47 HE3 LYS 47 2.941 6.457 -7.203 356 HZ1 LYS 47 HZ1 LYS 47 4.520 8.222 -7.962 357 HZ2 LYS 47 HZ2 LYS 47 5.123 6.707 -8.005 358 HZ3 LYS 47 HZ3 LYS 47 5.612 7.758 -6.836 359 H VAL 48 H VAL 48 -2.038 5.479 -6.273 360 HA VAL 48 HA VAL 48 -4.230 7.497 -6.120 361 HB VAL 48 HB VAL 48 -2.571 8.115 -7.815 362 HG11 VAL 48 HG11 VAL 48 -1.985 5.866 -8.702 363 HG12 VAL 48 HG12 VAL 48 -3.560 5.814 -9.523 364 HG13 VAL 48 HG13 VAL 48 -2.388 7.066 -9.939 365 HG21 VAL 48 HG21 VAL 48 -4.768 9.033 -7.894 366 HG22 VAL 48 HG22 VAL 48 -4.208 8.711 -9.542 367 HG23 VAL 48 HG23 VAL 48 -5.388 7.630 -8.776 368 HA PRO 49 HA PRO 49 -5.507 2.962 -6.221 369 HB2 PRO 49 HB2 PRO 49 -6.985 2.816 -3.904 370 HB3 PRO 49 HB3 PRO 49 -5.212 2.629 -3.951 371 HG2 PRO 49 HG2 PRO 49 -6.808 5.128 -3.321 372 HG3 PRO 49 HG3 PRO 49 -5.426 4.450 -2.411 373 HD2 PRO 49 HD2 PRO 49 -5.163 6.494 -4.186 374 HD3 PRO 49 HD3 PRO 49 -3.898 5.254 -4.009 375 H ASP 50 H ASP 50 -7.577 5.702 -5.228 376 HA ASP 50 HA ASP 50 -10.068 4.589 -5.904 377 HB2 ASP 50 HB2 ASP 50 -9.671 6.596 -4.496 378 HB3 ASP 50 HB3 ASP 50 -9.204 7.513 -5.929 379 H GLN 51 H GLN 51 -7.751 6.273 -8.032 380 HA GLN 51 HA GLN 51 -9.616 6.366 -10.277 381 HB2 GLN 51 HB2 GLN 51 -7.725 8.027 -9.809 382 HB3 GLN 51 HB3 GLN 51 -6.612 6.768 -10.392 383 HG2 GLN 51 HG2 GLN 51 -7.786 6.713 -12.554 384 HG3 GLN 51 HG3 GLN 51 -8.953 7.904 -11.978 385 HE21 GLN 51 HE21 GLN 51 -6.198 7.579 -13.847 386 HE22 GLN 51 HE22 GLN 51 -5.761 9.293 -13.812 387 H MET 52 H MET 52 -6.934 4.223 -9.227 388 HA MET 52 HA MET 52 -6.897 2.553 -11.570 389 HB2 MET 52 HB2 MET 52 -5.075 2.657 -9.887 390 HB3 MET 52 HB3 MET 52 -6.152 1.951 -8.684 391 HG2 MET 52 HG2 MET 52 -4.875 0.127 -9.424 392 HG3 MET 52 HG3 MET 52 -6.383 -0.067 -10.277 393 HE1 MET 52 HE1 MET 52 -2.753 1.668 -10.712 394 HE2 MET 52 HE2 MET 52 -2.712 -0.066 -10.306 395 HE3 MET 52 HE3 MET 52 -2.176 0.479 -11.902 396 H LEU 53 H LEU 53 -8.800 2.314 -8.484 397 HA LEU 53 HA LEU 53 -10.118 -0.097 -9.355 398 HB2 LEU 53 HB2 LEU 53 -9.821 0.690 -6.974 399 HB3 LEU 53 HB3 LEU 53 -11.049 1.917 -7.275 400 HG LEU 53 HG LEU 53 -12.700 0.126 -7.763 401 HD11 LEU 53 HD11 LEU 53 -12.209 -2.230 -7.148 402 HD12 LEU 53 HD12 LEU 53 -10.497 -1.817 -6.924 403 HD13 LEU 53 HD13 LEU 53 -11.256 -1.729 -8.534 404 HD21 LEU 53 HD21 LEU 53 -11.263 -0.218 -5.093 405 HD22 LEU 53 HD22 LEU 53 -12.940 -0.680 -5.443 406 HD23 LEU 53 HD23 LEU 53 -12.469 1.027 -5.474 407 H ALA 54 H ALA 54 -10.981 3.384 -9.670 408 HA ALA 54 HA ALA 54 -13.522 2.904 -10.939 409 HB1 ALA 54 HB1 ALA 54 -11.666 5.314 -11.052 410 HB2 ALA 54 HB2 ALA 54 -13.372 5.281 -11.540 411 HB3 ALA 54 HB3 ALA 54 -12.938 5.021 -9.844 412 H GLU 55 H GLU 55 -10.242 2.910 -12.206 413 HA GLU 55 HA GLU 55 -10.831 2.929 -15.017 414 HB2 GLU 55 HB2 GLU 55 -8.656 3.475 -14.097 415 HB3 GLU 55 HB3 GLU 55 -8.483 1.893 -13.380 416 HG2 GLU 55 HG2 GLU 55 -8.046 0.824 -15.380 417 HG3 GLU 55 HG3 GLU 55 -8.794 2.087 -16.363 418 H LYS 56 H LYS 56 -11.528 0.570 -12.655 419 HA LYS 56 HA LYS 56 -12.040 -1.632 -12.646 420 HB2 LYS 56 HB2 LYS 56 -12.809 -1.237 -15.559 421 HB3 LYS 56 HB3 LYS 56 -13.297 -2.577 -14.521 422 HG2 LYS 56 HG2 LYS 56 -14.500 -1.056 -13.024 423 HG3 LYS 56 HG3 LYS 56 -14.001 0.348 -13.970 424 HD2 LYS 56 HD2 LYS 56 -15.742 -1.911 -15.024 425 HD3 LYS 56 HD3 LYS 56 -16.327 -0.357 -14.410 426 HE2 LYS 56 HE2 LYS 56 -14.990 0.825 -16.169 427 HE3 LYS 56 HE3 LYS 56 -14.512 -0.743 -16.831 428 HZ1 LYS 56 HZ1 LYS 56 -17.290 0.282 -16.644 429 HZ2 LYS 56 HZ2 LYS 56 -16.862 -1.213 -17.222 430 HZ3 LYS 56 HZ3 LYS 56 -16.402 0.143 -18.022 431 H ASP 57 H ASP 57 -9.496 -1.257 -12.619 432 HA ASP 57 HA ASP 57 -7.967 -2.782 -14.600 433 HB2 ASP 57 HB2 ASP 57 -6.963 -0.802 -13.459 434 HB3 ASP 57 HB3 ASP 57 -7.081 -1.670 -11.918 435 HA PRO 58 HA PRO 58 -9.942 -6.011 -12.673 436 HB2 PRO 58 HB2 PRO 58 -9.130 -8.110 -14.138 437 HB3 PRO 58 HB3 PRO 58 -9.953 -6.627 -14.775 438 HG2 PRO 58 HG2 PRO 58 -6.931 -6.978 -14.745 439 HG3 PRO 58 HG3 PRO 58 -7.981 -6.859 -16.214 440 HD2 PRO 58 HD2 PRO 58 -6.894 -4.706 -15.055 441 HD3 PRO 58 HD3 PRO 58 -8.613 -4.659 -15.564 442 H LEU 59 H LEU 59 -6.483 -6.018 -12.485 443 HA LEU 59 HA LEU 59 -6.173 -8.050 -10.430 444 HB2 LEU 59 HB2 LEU 59 -4.258 -7.246 -11.706 445 HB3 LEU 59 HB3 LEU 59 -4.512 -5.599 -11.140 446 HG LEU 59 HG LEU 59 -3.896 -6.208 -8.862 447 HD11 LEU 59 HD11 LEU 59 -3.555 -9.050 -9.913 448 HD12 LEU 59 HD12 LEU 59 -4.694 -8.507 -8.665 449 HD13 LEU 59 HD13 LEU 59 -2.971 -8.456 -8.327 450 HD21 LEU 59 HD21 LEU 59 -2.128 -5.629 -10.490 451 HD22 LEU 59 HD22 LEU 59 -1.913 -7.340 -10.879 452 HD23 LEU 59 HD23 LEU 59 -1.541 -6.734 -9.240 453 H ALA 60 H ALA 60 -6.913 -4.510 -10.290 454 HA ALA 60 HA ALA 60 -6.952 -4.501 -7.367 455 HB1 ALA 60 HB1 ALA 60 -6.534 -2.460 -8.663 456 HB2 ALA 60 HB2 ALA 60 -8.165 -2.572 -9.376 457 HB3 ALA 60 HB3 ALA 60 -7.978 -2.328 -7.627 458 H MET 61 H MET 61 -9.507 -4.599 -9.899 459 HA MET 61 HA MET 61 -11.758 -4.760 -8.180 460 HB2 MET 61 HB2 MET 61 -11.282 -5.989 -10.923 461 HB3 MET 61 HB3 MET 61 -12.857 -5.718 -10.188 462 HG2 MET 61 HG2 MET 61 -10.961 -3.392 -10.653 463 HG3 MET 61 HG3 MET 61 -11.922 -4.043 -11.967 464 HE1 MET 61 HE1 MET 61 -15.494 -3.208 -11.241 465 HE2 MET 61 HE2 MET 61 -14.254 -3.882 -12.333 466 HE3 MET 61 HE3 MET 61 -14.711 -4.760 -10.860 467 H LEU 62 H LEU 62 -9.476 -7.315 -9.139 468 HA LEU 62 HA LEU 62 -10.890 -9.500 -7.848 469 HB2 LEU 62 HB2 LEU 62 -9.260 -9.767 -9.685 470 HB3 LEU 62 HB3 LEU 62 -8.031 -8.997 -8.665 471 HG LEU 62 HG LEU 62 -8.109 -10.859 -7.096 472 HD11 LEU 62 HD11 LEU 62 -10.068 -12.141 -9.058 473 HD12 LEU 62 HD12 LEU 62 -10.434 -11.658 -7.384 474 HD13 LEU 62 HD13 LEU 62 -9.294 -12.965 -7.692 475 HD21 LEU 62 HD21 LEU 62 -7.044 -12.535 -8.546 476 HD22 LEU 62 HD22 LEU 62 -6.538 -10.902 -8.997 477 HD23 LEU 62 HD23 LEU 62 -7.744 -11.756 -9.984 478 H LEU 63 H LEU 63 -8.041 -7.370 -6.943 479 HA LEU 63 HA LEU 63 -7.508 -9.011 -4.666 480 HB2 LEU 63 HB2 LEU 63 -5.856 -7.825 -6.021 481 HB3 LEU 63 HB3 LEU 63 -6.512 -6.266 -5.562 482 HG LEU 63 HG LEU 63 -4.342 -6.965 -4.520 483 HD11 LEU 63 HD11 LEU 63 -5.854 -5.212 -3.543 484 HD12 LEU 63 HD12 LEU 63 -4.729 -5.986 -2.408 485 HD13 LEU 63 HD13 LEU 63 -6.438 -6.436 -2.396 486 HD21 LEU 63 HD21 LEU 63 -4.848 -9.328 -4.125 487 HD22 LEU 63 HD22 LEU 63 -6.066 -8.890 -2.913 488 HD23 LEU 63 HD23 LEU 63 -4.366 -8.509 -2.624 489 H PHE 64 H PHE 64 -9.268 -5.991 -5.099 490 HA PHE 64 HA PHE 64 -9.266 -5.380 -2.265 491 HB2 PHE 64 HB2 PHE 64 -10.103 -3.423 -2.795 492 HB3 PHE 64 HB3 PHE 64 -9.721 -3.854 -4.439 493 HD1 PHE 64 HD2 PHE 64 -11.708 -5.068 -5.789 494 HD2 PHE 64 HD1 PHE 64 -12.223 -2.711 -2.217 495 HE1 PHE 64 HE2 PHE 64 -14.105 -4.711 -6.364 496 HE2 PHE 64 HE1 PHE 64 -14.579 -2.330 -2.799 497 HZ PHE 64 HZ PHE 64 -15.550 -3.347 -4.872 498 H GLU 65 H GLU 65 -11.707 -7.084 -4.287 499 HA GLU 65 HA GLU 65 -13.512 -7.381 -2.069 500 HB2 GLU 65 HB2 GLU 65 -14.820 -8.837 -3.327 501 HB3 GLU 65 HB3 GLU 65 -14.282 -7.542 -4.386 502 HG2 GLU 65 HG2 GLU 65 -12.707 -9.015 -5.496 503 HG3 GLU 65 HG3 GLU 65 -12.998 -10.297 -4.307 504 H GLN 66 H GLN 66 -10.473 -8.896 -2.473 505 HA GLN 66 HA GLN 66 -11.192 -11.329 -1.076 506 HB2 GLN 66 HB2 GLN 66 -8.397 -10.122 -1.288 507 HB3 GLN 66 HB3 GLN 66 -8.808 -11.793 -0.931 508 HG2 GLN 66 HG2 GLN 66 -9.006 -10.346 -3.567 509 HG3 GLN 66 HG3 GLN 66 -7.961 -11.690 -3.160 510 HE21 GLN 66 HE21 GLN 66 -10.690 -10.909 -4.847 511 HE22 GLN 66 HE22 GLN 66 -11.536 -12.459 -4.807 512 H TYR 67 H TYR 67 -10.791 -8.165 0.068 513 HA TYR 67 HA TYR 67 -10.370 -9.152 2.866 514 HB2 TYR 67 HB2 TYR 67 -9.584 -6.495 1.636 515 HB3 TYR 67 HB3 TYR 67 -9.361 -6.961 3.323 516 HD1 TYR 67 HD1 TYR 67 -7.839 -8.888 3.918 517 HD2 TYR 67 HD2 TYR 67 -8.034 -7.235 -0.069 518 HE1 TYR 67 HE1 TYR 67 -5.694 -9.994 3.357 519 HE2 TYR 67 HE2 TYR 67 -5.868 -8.329 -0.620 520 HH TYR 67 HH TYR 67 -4.064 -10.208 1.827 521 H ASN 68 H ASN 68 -12.884 -9.364 1.885 522 HA ASN 68 HA ASN 68 -15.030 -8.682 1.845 523 HB2 ASN 68 HB2 ASN 68 -14.274 -7.508 4.542 524 HB3 ASN 68 HB3 ASN 68 -15.917 -7.675 3.943 525 HD21 ASN 68 HD21 ASN 68 -15.665 -8.743 6.220 526 HD22 ASN 68 HD22 ASN 68 -15.608 -10.509 6.109 527 H ARG 69 H ARG 69 -13.483 -7.154 0.220 528 HA ARG 69 HA ARG 69 -13.589 -5.309 -1.105 529 HB2 ARG 69 HB2 ARG 69 -16.306 -4.854 0.123 530 HB3 ARG 69 HB3 ARG 69 -15.706 -4.135 -1.371 531 HG2 ARG 69 HG2 ARG 69 -15.585 -6.302 -2.458 532 HG3 ARG 69 HG3 ARG 69 -16.008 -7.145 -0.970 533 HD2 ARG 69 HD2 ARG 69 -17.783 -5.272 -2.573 534 HD3 ARG 69 HD3 ARG 69 -17.954 -7.025 -2.424 535 HE ARG 69 HE ARG 69 -18.946 -5.004 -0.646 536 HH11 ARG 69 HH11 ARG 69 -17.685 -8.348 -0.532 537 HH12 ARG 69 HH12 ARG 69 -18.492 -8.696 0.981 538 HH21 ARG 69 HH21 ARG 69 -19.951 -5.508 1.300 539 HH22 ARG 69 HH22 ARG 69 -19.769 -7.095 2.014 540 H LEU 70 H LEU 70 -15.485 -3.175 0.770 541 HA LEU 70 HA LEU 70 -15.090 -1.142 1.624 542 HB2 LEU 70 HB2 LEU 70 -13.787 -2.687 3.286 543 HB3 LEU 70 HB3 LEU 70 -12.347 -1.985 2.568 544 HG LEU 70 HG LEU 70 -13.127 0.282 3.309 545 HD11 LEU 70 HD11 LEU 70 -15.343 -1.297 4.691 546 HD12 LEU 70 HD12 LEU 70 -15.566 -0.060 3.435 547 HD13 LEU 70 HD13 LEU 70 -14.938 0.405 5.012 548 HD21 LEU 70 HD21 LEU 70 -11.603 -1.061 4.694 549 HD22 LEU 70 HD22 LEU 70 -12.987 -1.842 5.484 550 HD23 LEU 70 HD23 LEU 70 -12.698 -0.095 5.695 551 H ALA 71 H ALA 71 -12.384 0.294 1.671 552 HA ALA 71 HA ALA 71 -11.482 0.399 -1.079 553 HB1 ALA 71 HB1 ALA 71 -13.116 2.753 -0.002 554 HB2 ALA 71 HB2 ALA 71 -12.300 2.648 -1.573 555 HB3 ALA 71 HB3 ALA 71 -13.683 1.604 -1.229 556 H MET 72 H MET 72 -9.871 2.233 -1.374 557 HA MET 72 HA MET 72 -9.007 3.679 1.065 558 HB2 MET 72 HB2 MET 72 -7.527 1.720 0.698 559 HB3 MET 72 HB3 MET 72 -7.129 2.333 -0.915 560 HG2 MET 72 HG2 MET 72 -6.071 4.314 0.071 561 HG3 MET 72 HG3 MET 72 -6.639 3.838 1.678 562 HE1 MET 72 HE1 MET 72 -3.916 3.336 -1.083 563 HE2 MET 72 HE2 MET 72 -3.186 1.783 -0.636 564 HE3 MET 72 HE3 MET 72 -4.844 1.830 -1.270 565 HA PRO 73 HA PRO 73 -9.200 6.952 -2.032 566 HB2 PRO 73 HB2 PRO 73 -8.827 9.145 -0.507 567 HB3 PRO 73 HB3 PRO 73 -10.220 8.052 -0.239 568 HG2 PRO 73 HG2 PRO 73 -7.572 8.086 1.245 569 HG3 PRO 73 HG3 PRO 73 -9.226 8.078 1.937 570 HD2 PRO 73 HD2 PRO 73 -7.713 5.799 1.585 571 HD3 PRO 73 HD3 PRO 73 -9.500 5.805 1.495 572 H ASN 74 H ASN 74 -7.992 8.845 -2.919 573 HA ASN 74 HA ASN 74 -5.036 8.528 -3.006 574 HB2 ASN 74 HB2 ASN 74 -6.196 9.026 -5.094 575 HB3 ASN 74 HB3 ASN 74 -6.971 10.435 -4.376 576 HD21 ASN 74 HD21 ASN 74 -5.862 11.067 -6.594 577 HD22 ASN 74 HD22 ASN 74 -4.328 11.882 -6.361 578 H MET 75 H MET 75 -4.064 9.149 -1.180 579 HA MET 75 HA MET 75 -5.096 11.379 0.452 580 HB2 MET 75 HB2 MET 75 -2.865 9.369 0.924 581 HB3 MET 75 HB3 MET 75 -3.396 10.585 2.090 582 HG2 MET 75 HG2 MET 75 -5.625 9.577 2.185 583 HG3 MET 75 HG3 MET 75 -5.180 8.416 0.934 584 HE1 MET 75 HE1 MET 75 -3.590 8.314 5.300 585 HE2 MET 75 HE2 MET 75 -3.079 9.587 4.175 586 HE3 MET 75 HE3 MET 75 -4.779 9.480 4.685 587 H ARG 76 H ARG 76 -3.206 11.456 -2.195 588 HA ARG 76 HA ARG 76 -1.545 12.708 -3.037 589 HB2 ARG 76 HB2 ARG 76 -2.742 14.858 -1.268 590 HB3 ARG 76 HB3 ARG 76 -1.712 15.111 -2.688 591 HG2 ARG 76 HG2 ARG 76 -3.433 13.821 -4.055 592 HG3 ARG 76 HG3 ARG 76 -4.505 13.890 -2.649 593 HD2 ARG 76 HD2 ARG 76 -3.360 16.266 -4.176 594 HD3 ARG 76 HD3 ARG 76 -5.016 15.651 -4.273 595 HE ARG 76 HE ARG 76 -4.109 16.421 -1.592 596 HH11 ARG 76 HH11 ARG 76 -5.817 17.529 -4.528 597 HH12 ARG 76 HH12 ARG 76 -6.575 18.873 -3.701 598 HH21 ARG 76 HH21 ARG 76 -5.107 18.183 -0.573 599 HH22 ARG 76 HH22 ARG 76 -6.174 19.240 -1.471 600 H LEU 77 H LEU 77 -0.197 11.149 -1.698 601 HA LEU 77 HA LEU 77 1.646 12.360 0.262 602 HB2 LEU 77 HB2 LEU 77 1.937 9.838 -1.423 603 HB3 LEU 77 HB3 LEU 77 2.957 10.336 -0.085 604 HG LEU 77 HG LEU 77 1.738 8.606 0.768 605 HD11 LEU 77 HD11 LEU 77 0.331 9.496 2.534 606 HD12 LEU 77 HD12 LEU 77 0.149 11.032 1.664 607 HD13 LEU 77 HD13 LEU 77 1.744 10.534 2.286 608 HD21 LEU 77 HD21 LEU 77 0.022 8.403 -0.988 609 HD22 LEU 77 HD22 LEU 77 -0.880 9.738 -0.255 610 HD23 LEU 77 HD23 LEU 77 -0.640 8.232 0.644 611 H GLY 78 H GLY 78 3.964 12.703 -0.228 612 HA2 GLY 78 HA2 GLY 78 4.559 13.628 -2.988 613 HA3 GLY 78 HA3 GLY 78 5.632 13.691 -1.596 614 H ASP 79 H ASP 79 6.009 12.545 -4.441 615 HA ASP 79 HA ASP 79 6.183 9.706 -4.306 616 HB2 ASP 79 HB2 ASP 79 6.289 10.957 -6.397 617 HB3 ASP 79 HB3 ASP 79 7.828 11.677 -5.927 618 H ALA 80 H ALA 80 8.537 12.132 -3.111 619 HA ALA 80 HA ALA 80 10.584 10.139 -2.547 620 HB1 ALA 80 HB1 ALA 80 11.101 12.521 -2.952 621 HB2 ALA 80 HB2 ALA 80 10.227 12.964 -1.470 622 HB3 ALA 80 HB3 ALA 80 11.697 11.978 -1.375 623 H GLU 81 H GLU 81 7.838 11.421 -0.738 624 HA GLU 81 HA GLU 81 8.446 10.207 1.838 625 HB2 GLU 81 HB2 GLU 81 7.130 12.065 2.039 626 HB3 GLU 81 HB3 GLU 81 6.293 11.808 0.519 627 HG2 GLU 81 HG2 GLU 81 4.863 10.113 1.507 628 HG3 GLU 81 HG3 GLU 81 5.718 10.260 3.050 629 H VAL 82 H VAL 82 6.477 9.327 -1.015 630 HA VAL 82 HA VAL 82 5.612 6.764 -0.005 631 HB VAL 82 HB VAL 82 5.907 7.849 -2.828 632 HG11 VAL 82 HG11 VAL 82 4.725 5.200 -1.900 633 HG12 VAL 82 HG12 VAL 82 4.441 5.923 -3.501 634 HG13 VAL 82 HG13 VAL 82 6.069 5.427 -3.044 635 HG21 VAL 82 HG21 VAL 82 3.477 8.025 -2.692 636 HG22 VAL 82 HG22 VAL 82 3.462 7.250 -1.091 637 HG23 VAL 82 HG23 VAL 82 4.182 8.856 -1.318 638 H SER 83 H SER 83 8.446 7.646 -2.084 639 HA SER 83 HA SER 83 9.507 5.020 -2.273 640 HB2 SER 83 HB2 SER 83 10.361 6.866 -3.603 641 HB3 SER 83 HB3 SER 83 10.900 7.730 -2.150 642 HG SER 83 HG SER 83 12.534 6.521 -3.311 643 H ALA 84 H ALA 84 9.951 7.427 0.371 644 HA ALA 84 HA ALA 84 11.731 5.858 1.953 645 HB1 ALA 84 HB1 ALA 84 9.667 7.969 2.710 646 HB2 ALA 84 HB2 ALA 84 10.911 7.342 3.798 647 HB3 ALA 84 HB3 ALA 84 11.379 8.237 2.337 648 H LEU 85 H LEU 85 8.112 5.898 1.890 649 HA LEU 85 HA LEU 85 7.733 3.882 3.908 650 HB2 LEU 85 HB2 LEU 85 6.060 4.758 1.527 651 HB3 LEU 85 HB3 LEU 85 5.533 3.514 2.628 652 HG LEU 85 HG LEU 85 6.276 6.292 3.636 653 HD11 LEU 85 HD11 LEU 85 3.802 6.741 3.571 654 HD12 LEU 85 HD12 LEU 85 3.598 5.261 2.606 655 HD13 LEU 85 HD13 LEU 85 4.542 6.627 1.974 656 HD21 LEU 85 HD21 LEU 85 4.706 5.631 5.449 657 HD22 LEU 85 HD22 LEU 85 6.093 4.538 5.350 658 HD23 LEU 85 HD23 LEU 85 4.510 4.039 4.705 659 H ILE 86 H ILE 86 8.342 3.572 0.399 660 HA ILE 86 HA ILE 86 7.946 0.696 0.313 661 HB ILE 86 HB ILE 86 9.648 2.321 -1.590 662 HG12 ILE 86 HG12 ILE 86 7.679 3.468 -1.925 663 HG13 ILE 86 HG13 ILE 86 7.584 2.228 -3.112 664 HG21 ILE 86 HG21 ILE 86 9.110 0.563 -3.189 665 HG22 ILE 86 HG22 ILE 86 9.868 -0.143 -1.770 666 HG23 ILE 86 HG23 ILE 86 8.114 -0.285 -1.984 667 HD11 ILE 86 HD11 ILE 86 5.417 2.472 -2.124 668 HD12 ILE 86 HD12 ILE 86 6.055 0.916 -1.554 669 HD13 ILE 86 HD13 ILE 86 6.051 2.337 -0.483 670 H SER 87 H SER 87 10.784 2.803 0.819 671 HA SER 87 HA SER 87 12.729 0.713 1.151 672 HB2 SER 87 HB2 SER 87 12.701 3.597 2.110 673 HB3 SER 87 HB3 SER 87 14.109 2.523 2.113 674 HG SER 87 HG SER 87 14.047 2.377 -0.087 675 H TYR 88 H TYR 88 10.354 2.067 3.437 676 HA TYR 88 HA TYR 88 11.579 0.645 5.710 677 HB2 TYR 88 HB2 TYR 88 10.350 2.506 6.350 678 HB3 TYR 88 HB3 TYR 88 9.003 2.129 5.274 679 HD1 TYR 88 HD1 TYR 88 10.747 0.126 7.976 680 HD2 TYR 88 HD2 TYR 88 7.058 1.819 6.513 681 HE1 TYR 88 HE1 TYR 88 9.501 -1.051 9.764 682 HE2 TYR 88 HE2 TYR 88 5.814 0.635 8.323 683 HH TYR 88 HH TYR 88 7.436 -1.678 10.509 684 H LEU 89 H LEU 89 8.832 -0.045 3.488 685 HA LEU 89 HA LEU 89 7.949 -2.351 4.851 686 HB2 LEU 89 HB2 LEU 89 7.809 -1.510 1.934 687 HB3 LEU 89 HB3 LEU 89 7.013 -2.964 2.528 688 HG LEU 89 HG LEU 89 6.439 -0.175 3.617 689 HD11 LEU 89 HD11 LEU 89 4.854 -1.880 1.653 690 HD12 LEU 89 HD12 LEU 89 5.762 -0.402 1.251 691 HD13 LEU 89 HD13 LEU 89 4.359 -0.306 2.327 692 HD21 LEU 89 HD21 LEU 89 4.394 -1.277 4.523 693 HD22 LEU 89 HD22 LEU 89 5.879 -1.877 5.258 694 HD23 LEU 89 HD23 LEU 89 5.061 -2.852 4.017 695 H GLU 90 H GLU 90 10.496 -2.214 2.333 696 HA GLU 90 HA GLU 90 11.013 -5.039 2.393 697 HB2 GLU 90 HB2 GLU 90 11.620 -3.471 0.585 698 HB3 GLU 90 HB3 GLU 90 12.859 -2.752 1.609 699 HG2 GLU 90 HG2 GLU 90 12.831 -5.728 0.943 700 HG3 GLU 90 HG3 GLU 90 13.486 -4.548 -0.181 701 H GLU 91 H GLU 91 12.265 -2.414 4.496 702 HA GLU 91 HA GLU 91 14.293 -4.047 5.820 703 HB2 GLU 91 HB2 GLU 91 12.716 -1.582 6.693 704 HB3 GLU 91 HB3 GLU 91 13.853 -2.389 7.748 705 HG2 GLU 91 HG2 GLU 91 14.691 -1.351 5.021 706 HG3 GLU 91 HG3 GLU 91 14.655 -0.328 6.461 707 H GLU 92 H GLU 92 10.809 -3.414 6.427 708 HA GLU 92 HA GLU 92 10.762 -5.054 8.788 709 HB2 GLU 92 HB2 GLU 92 9.127 -3.160 8.004 710 HB3 GLU 92 HB3 GLU 92 8.309 -4.465 7.144 711 HG2 GLU 92 HG2 GLU 92 7.204 -4.251 9.232 712 HG3 GLU 92 HG3 GLU 92 8.184 -5.695 9.392 713 H THR 93 H THR 93 10.237 -5.866 5.350 714 HA THR 93 HA THR 93 9.526 -8.627 5.761 715 HB THR 93 HB THR 93 11.320 -7.647 3.507 716 HG1 THR 93 HG1 THR 93 8.587 -7.255 3.887 717 HG21 THR 93 HG21 THR 93 9.252 -9.874 3.714 718 HG22 THR 93 HG22 THR 93 11.015 -10.058 3.550 719 HG23 THR 93 HG23 THR 93 10.076 -9.387 2.217 720 H ALA 94 H ALA 94 12.751 -7.072 5.293 721 HA ALA 94 HA ALA 94 14.185 -9.513 5.340 722 HB1 ALA 94 HB1 ALA 94 14.951 -7.430 4.297 723 HB2 ALA 94 HB2 ALA 94 15.112 -6.665 5.892 724 HB3 ALA 94 HB3 ALA 94 16.154 -8.040 5.446 725 H ARG 95 H ARG 95 13.476 -7.234 7.990 726 HA ARG 95 HA ARG 95 15.031 -8.328 10.073 727 HB2 ARG 95 HB2 ARG 95 12.325 -6.962 9.985 728 HB3 ARG 95 HB3 ARG 95 13.040 -7.469 11.517 729 HG2 ARG 95 HG2 ARG 95 14.940 -6.049 11.263 730 HG3 ARG 95 HG3 ARG 95 14.562 -5.688 9.574 731 HD2 ARG 95 HD2 ARG 95 12.489 -4.541 10.252 732 HD3 ARG 95 HD3 ARG 95 12.818 -4.922 11.956 733 HE ARG 95 HE ARG 95 15.084 -3.591 11.043 734 HH11 ARG 95 HH11 ARG 95 11.618 -2.789 11.314 735 HH12 ARG 95 HH12 ARG 95 11.926 -1.085 11.564 736 HH21 ARG 95 HH21 ARG 95 15.437 -1.379 11.376 737 HH22 ARG 95 HH22 ARG 95 14.084 -0.288 11.596 738 H LEU 96 H LEU 96 11.938 -9.505 8.796 739 HA LEU 96 HA LEU 96 11.575 -11.466 10.912 740 HB2 LEU 96 HB2 LEU 96 9.905 -10.082 9.217 741 HB3 LEU 96 HB3 LEU 96 9.918 -11.613 8.441 742 HG LEU 96 HG LEU 96 7.998 -11.357 9.799 743 HD11 LEU 96 HD11 LEU 96 8.106 -13.321 11.169 744 HD12 LEU 96 HD12 LEU 96 9.886 -13.224 11.231 745 HD13 LEU 96 HD13 LEU 96 9.060 -13.566 9.684 746 HD21 LEU 96 HD21 LEU 96 8.108 -10.983 12.194 747 HD22 LEU 96 HD22 LEU 96 8.952 -9.693 11.305 748 HD23 LEU 96 HD23 LEU 96 9.888 -10.947 12.138 749 H GLN 97 H GLN 97 13.580 -11.518 8.250 750 HA GLN 97 HA GLN 97 14.727 -13.137 7.140 751 HB2 GLN 97 HB2 GLN 97 14.694 -14.079 10.016 752 HB3 GLN 97 HB3 GLN 97 15.882 -14.556 8.794 753 HG2 GLN 97 HG2 GLN 97 16.731 -12.315 8.594 754 HG3 GLN 97 HG3 GLN 97 15.483 -11.678 9.661 755 HE21 GLN 97 HE21 GLN 97 18.636 -13.036 9.578 756 HE22 GLN 97 HE22 GLN 97 18.799 -13.226 11.330 757 H THR 98 H THR 98 12.342 -13.767 6.241 758 HA THR 98 HA THR 98 12.286 -16.751 6.276 759 HB THR 98 HB THR 98 10.596 -16.210 7.777 760 HG1 THR 98 HG1 THR 98 9.496 -16.649 5.226 761 HG21 THR 98 HG21 THR 98 9.244 -14.393 5.749 762 HG22 THR 98 HG22 THR 98 10.079 -13.844 7.216 763 HG23 THR 98 HG23 THR 98 8.642 -14.864 7.344 764 HA PRO 99 HA PRO 99 12.302 -15.512 1.840 765 HB2 PRO 99 HB2 PRO 99 14.517 -16.953 1.110 766 HB3 PRO 99 HB3 PRO 99 14.589 -15.259 1.682 767 HG2 PRO 99 HG2 PRO 99 15.055 -17.793 3.283 768 HG3 PRO 99 HG3 PRO 99 16.056 -16.308 3.247 769 HD2 PRO 99 HD2 PRO 99 14.248 -16.733 5.215 770 HD3 PRO 99 HD3 PRO 99 14.516 -15.107 4.542 771 H VAL 100 H VAL 100 12.590 -18.371 3.736 772 HA VAL 100 HA VAL 100 11.724 -20.373 3.830 773 HB VAL 100 HB VAL 100 9.766 -18.877 4.041 774 HG11 VAL 100 HG11 VAL 100 7.936 -19.014 2.458 775 HG12 VAL 100 HG12 VAL 100 9.329 -18.293 1.661 776 HG13 VAL 100 HG13 VAL 100 8.899 -19.990 1.341 777 HG21 VAL 100 HG21 VAL 100 9.207 -21.732 3.153 778 HG22 VAL 100 HG22 VAL 100 9.760 -21.213 4.763 779 HG23 VAL 100 HG23 VAL 100 8.171 -20.715 4.170 780 H THR 101 H THR 101 11.420 -19.485 0.389 781 HA THR 101 HA THR 101 11.263 -22.260 -0.506 782 HB THR 101 HB THR 101 11.435 -21.269 -2.775 783 HG1 THR 101 HG1 THR 101 11.148 -18.814 -2.501 784 HG21 THR 101 HG21 THR 101 9.491 -19.667 -1.058 785 HG22 THR 101 HG22 THR 101 9.248 -21.367 -1.504 786 HG23 THR 101 HG23 THR 101 9.329 -20.132 -2.769 787 H ASN 102 H ASN 102 13.783 -20.659 0.764 788 HA ASN 102 HA ASN 102 15.970 -20.765 0.867 789 HB2 ASN 102 HB2 ASN 102 15.420 -23.046 1.452 790 HB3 ASN 102 HB3 ASN 102 15.480 -23.549 -0.243 791 HD21 ASN 102 HD21 ASN 102 17.457 -22.161 2.397 792 HD22 ASN 102 HD22 ASN 102 18.990 -22.663 1.684 793 H ARG 103 H ARG 103 15.223 -21.924 -2.435 794 HA ARG 103 HA ARG 103 16.352 -21.773 -4.390 795 HB2 ARG 103 HB2 ARG 103 16.695 -18.917 -3.424 796 HB3 ARG 103 HB3 ARG 103 16.890 -19.458 -5.099 797 HG2 ARG 103 HG2 ARG 103 14.555 -20.282 -5.130 798 HG3 ARG 103 HG3 ARG 103 14.321 -19.693 -3.472 799 HD2 ARG 103 HD2 ARG 103 14.770 -17.390 -4.192 800 HD3 ARG 103 HD3 ARG 103 15.080 -17.949 -5.850 801 HE ARG 103 HE ARG 103 12.531 -18.887 -5.135 802 HH11 ARG 103 HH11 ARG 103 14.086 -15.719 -5.655 803 HH12 ARG 103 HH12 ARG 103 12.600 -14.959 -6.179 804 HH21 ARG 103 HH21 ARG 103 10.630 -17.861 -5.827 805 HH22 ARG 103 HH22 ARG 103 10.647 -16.170 -6.276 806 H GLY 104 H GLY 104 18.050 -22.768 -2.252 807 HA2 GLY 104 HA2 GLY 104 20.114 -23.822 -2.489 808 HA3 GLY 104 HA3 GLY 104 20.602 -22.653 -3.715 809 H ILE 105 H ILE 105 19.481 -20.801 -1.101 810 HA ILE 105 HA ILE 105 22.163 -19.972 -0.463 811 HB ILE 105 HB ILE 105 19.524 -19.302 0.870 812 HG12 ILE 105 HG12 ILE 105 19.564 -18.584 -1.478 813 HG13 ILE 105 HG13 ILE 105 19.584 -17.222 -0.386 814 HG21 ILE 105 HG21 ILE 105 21.285 -18.809 2.462 815 HG22 ILE 105 HG22 ILE 105 22.256 -17.995 1.218 816 HG23 ILE 105 HG23 ILE 105 20.722 -17.295 1.760 817 HD11 ILE 105 HD11 ILE 105 22.015 -16.895 -0.797 818 HD12 ILE 105 HD12 ILE 105 21.982 -18.276 -1.922 819 HD13 ILE 105 HD13 ILE 105 21.049 -16.815 -2.275 820 HA PRO 106 HA PRO 106 22.796 -23.000 2.836 821 HB2 PRO 106 HB2 PRO 106 25.308 -22.344 3.627 822 HB3 PRO 106 HB3 PRO 106 24.967 -23.102 2.047 823 HG2 PRO 106 HG2 PRO 106 25.394 -20.156 2.634 824 HG3 PRO 106 HG3 PRO 106 26.136 -21.147 1.345 825 HD2 PRO 106 HD2 PRO 106 23.934 -19.580 0.916 826 HD3 PRO 106 HD3 PRO 106 24.179 -21.132 0.063 827 HHA HEC 107 HHA HEC 107 -4.635 -2.671 0.354 828 HHB HEC 107 HHB HEC 107 0.272 1.442 1.288 829 HHC HEC 107 HHC HEC 107 -3.439 4.934 5.267 830 HHD HEC 107 HHD HEC 107 -8.293 0.846 4.308 831 HMA1 HEC 107 HMA1 HEC 107 0.158 -0.890 -1.527 832 HMA2 HEC 107 HMA2 HEC 107 0.925 0.024 -0.229 833 HMA3 HEC 107 HMA3 HEC 107 0.750 -1.728 -0.082 834 HAA1 HEC 107 HAA1 HEC 107 -3.095 -3.160 -1.082 835 HAA2 HEC 107 HAA2 HEC 107 -1.642 -2.569 -1.826 836 HBA1 HEC 107 HBA1 HEC 107 -0.301 -3.985 -0.661 837 HBA2 HEC 107 HBA2 HEC 107 -1.125 -3.684 0.860 838 HMB1 HEC 107 HMB1 HEC 107 1.629 2.823 2.610 839 HMB2 HEC 107 HMB2 HEC 107 1.032 4.165 1.590 840 HMB3 HEC 107 HMB3 HEC 107 1.502 4.444 3.265 841 HAB HEC 107 HAB HEC 107 -1.602 5.839 5.161 842 HBB1 HEC 107 HBB1 HEC 107 -1.418 6.748 2.894 843 HBB2 HEC 107 HBB2 HEC 107 -0.408 7.579 4.091 844 HBB3 HEC 107 HBB3 HEC 107 0.333 6.460 2.935 845 HMC1 HEC 107 HMC1 HEC 107 -6.887 5.272 6.822 846 HMC2 HEC 107 HMC2 HEC 107 -5.144 5.173 7.062 847 HMC3 HEC 107 HMC3 HEC 107 -5.803 5.973 5.619 848 HAC HEC 107 HAC HEC 107 -8.486 1.751 6.197 849 HBC1 HEC 107 HBC1 HEC 107 -9.399 3.520 4.760 850 HBC2 HEC 107 HBC2 HEC 107 -10.163 3.464 6.351 851 HBC3 HEC 107 HBC3 HEC 107 -8.969 4.730 5.980 852 HMD1 HEC 107 HMD1 HEC 107 -9.277 -2.133 3.531 853 HMD2 HEC 107 HMD2 HEC 107 -9.611 -0.435 3.143 854 HMD3 HEC 107 HMD3 HEC 107 -9.628 -1.625 1.862 855 HAD1 HEC 107 HAD1 HEC 107 -6.743 -3.914 0.938 856 HAD2 HEC 107 HAD2 HEC 107 -8.366 -3.278 1.059 857 HBD1 HEC 107 HBD1 HEC 107 -6.375 -2.922 -1.138 858 HBD2 HEC 107 HBD2 HEC 107 -8.118 -3.110 -1.213 Start of MODEL 4 1 H SER 1 H SER 1 14.315 6.394 6.573 2 HA SER 1 HA SER 1 12.021 7.720 5.612 3 HB2 SER 1 HB2 SER 1 13.626 5.425 4.402 4 HB3 SER 1 HB3 SER 1 12.457 6.411 3.516 5 HG SER 1 HG SER 1 14.524 7.164 3.191 6 H GLY 2 H GLY 2 9.912 7.192 5.459 7 HA2 GLY 2 HA2 GLY 2 7.998 5.854 5.113 8 HA3 GLY 2 HA3 GLY 2 8.993 4.447 5.131 9 H GLU 3 H GLU 3 10.263 4.813 7.703 10 HA GLU 3 HA GLU 3 8.489 3.395 9.314 11 HB2 GLU 3 HB2 GLU 3 10.950 3.409 9.536 12 HB3 GLU 3 HB3 GLU 3 10.900 5.054 10.173 13 HG2 GLU 3 HG2 GLU 3 9.642 4.292 12.146 14 HG3 GLU 3 HG3 GLU 3 9.539 2.664 11.486 15 H GLN 4 H GLN 4 9.252 6.913 9.645 16 HA GLN 4 HA GLN 4 7.257 7.163 11.798 17 HB2 GLN 4 HB2 GLN 4 8.877 9.353 10.456 18 HB3 GLN 4 HB3 GLN 4 7.907 9.489 11.921 19 HG2 GLN 4 HG2 GLN 4 10.471 7.893 11.548 20 HG3 GLN 4 HG3 GLN 4 10.234 9.305 12.566 21 HE21 GLN 4 HE21 GLN 4 11.051 6.362 13.134 22 HE22 GLN 4 HE22 GLN 4 9.872 5.778 14.296 23 H ILE 5 H ILE 5 7.379 7.720 8.299 24 HA ILE 5 HA ILE 5 4.854 9.093 8.114 25 HB ILE 5 HB ILE 5 6.044 7.150 6.096 26 HG12 ILE 5 HG12 ILE 5 6.321 10.193 6.256 27 HG13 ILE 5 HG13 ILE 5 7.590 9.045 6.651 28 HG21 ILE 5 HG21 ILE 5 3.593 7.682 5.774 29 HG22 ILE 5 HG22 ILE 5 3.997 9.408 5.776 30 HG23 ILE 5 HG23 ILE 5 4.585 8.345 4.482 31 HD11 ILE 5 HD11 ILE 5 6.406 9.525 3.904 32 HD12 ILE 5 HD12 ILE 5 8.049 9.849 4.467 33 HD13 ILE 5 HD13 ILE 5 7.498 8.171 4.290 34 H PHE 6 H PHE 6 5.625 5.561 8.201 35 HA PHE 6 HA PHE 6 2.921 4.693 8.128 36 HB2 PHE 6 HB2 PHE 6 4.925 3.269 7.725 37 HB3 PHE 6 HB3 PHE 6 5.294 3.323 9.444 38 HD1 PHE 6 HD1 PHE 6 2.892 2.127 6.887 39 HD2 PHE 6 HD2 PHE 6 3.973 2.004 11.058 40 HE1 PHE 6 HE1 PHE 6 1.196 0.352 7.280 41 HE2 PHE 6 HE2 PHE 6 2.298 0.224 11.441 42 HZ PHE 6 HZ PHE 6 0.895 -0.595 9.558 43 H ARG 7 H ARG 7 4.967 5.536 10.932 44 HA ARG 7 HA ARG 7 3.058 4.876 12.962 45 HB2 ARG 7 HB2 ARG 7 5.576 5.199 13.120 46 HB3 ARG 7 HB3 ARG 7 5.268 6.939 13.170 47 HG2 ARG 7 HG2 ARG 7 3.912 6.623 15.234 48 HG3 ARG 7 HG3 ARG 7 4.164 4.864 15.126 49 HD2 ARG 7 HD2 ARG 7 6.647 5.271 15.293 50 HD3 ARG 7 HD3 ARG 7 6.309 6.993 15.500 51 HE ARG 7 HE ARG 7 5.442 6.624 17.639 52 HH11 ARG 7 HH11 ARG 7 6.475 3.504 16.226 53 HH12 ARG 7 HH12 ARG 7 6.517 2.710 17.783 54 HH21 ARG 7 HH21 ARG 7 5.549 5.553 19.617 55 HH22 ARG 7 HH22 ARG 7 5.987 3.863 19.694 56 H THR 8 H THR 8 3.327 7.723 10.924 57 HA THR 8 HA THR 8 1.387 9.221 12.627 58 HB THR 8 HB THR 8 2.063 11.203 11.271 59 HG1 THR 8 HG1 THR 8 4.203 9.580 10.432 60 HG21 THR 8 HG21 THR 8 4.369 9.762 12.662 61 HG22 THR 8 HG22 THR 8 3.161 10.803 13.436 62 HG23 THR 8 HG23 THR 8 4.292 11.491 12.261 63 H ARG 9 H ARG 9 1.489 7.750 9.423 64 HA ARG 9 HA ARG 9 -1.224 8.935 8.901 65 HB2 ARG 9 HB2 ARG 9 0.800 8.005 6.845 66 HB3 ARG 9 HB3 ARG 9 -0.712 8.875 6.562 67 HG2 ARG 9 HG2 ARG 9 0.262 10.823 7.874 68 HG3 ARG 9 HG3 ARG 9 1.803 9.942 7.899 69 HD2 ARG 9 HD2 ARG 9 1.647 9.819 5.356 70 HD3 ARG 9 HD3 ARG 9 0.293 10.954 5.467 71 HE ARG 9 HE ARG 9 2.728 11.785 6.867 72 HH11 ARG 9 HH11 ARG 9 0.977 11.941 3.767 73 HH12 ARG 9 HH12 ARG 9 1.914 13.295 3.184 74 HH21 ARG 9 HH21 ARG 9 3.905 13.552 6.083 75 HH22 ARG 9 HH22 ARG 9 3.565 14.214 4.500 76 H CYS 10 H CYS 10 0.247 5.873 9.487 77 HA CYS 10 HA CYS 10 -1.874 4.474 7.876 78 HB2 CYS 10 HB2 CYS 10 0.940 3.520 8.290 79 HB3 CYS 10 HB3 CYS 10 -0.246 2.880 7.167 80 H SER 11 H SER 11 -0.478 4.630 11.048 81 HA SER 11 HA SER 11 -0.606 1.784 11.614 82 HB2 SER 11 HB2 SER 11 -0.102 4.194 13.392 83 HB3 SER 11 HB3 SER 11 0.029 2.514 13.927 84 HG SER 11 HG SER 11 1.472 3.627 11.748 85 H SER 12 H SER 12 -3.194 3.938 11.479 86 HA SER 12 HA SER 12 -4.681 2.734 13.738 87 HB2 SER 12 HB2 SER 12 -5.770 4.721 11.736 88 HB3 SER 12 HB3 SER 12 -6.366 4.338 13.355 89 HG SER 12 HG SER 12 -5.241 6.106 13.773 90 H CYS 13 H CYS 13 -4.346 2.247 10.316 91 HA CYS 13 HA CYS 13 -6.682 0.345 10.316 92 HB2 CYS 13 HB2 CYS 13 -5.408 1.822 8.001 93 HB3 CYS 13 HB3 CYS 13 -6.736 0.679 7.886 94 H HIS 14 H HIS 14 -3.336 0.224 10.520 95 HA HIS 14 HA HIS 14 -3.180 -2.448 9.263 96 HB2 HIS 14 2HB HIS 14 -1.515 -0.037 8.440 97 HB3 HIS 14 3HB HIS 14 -1.100 -1.684 8.005 98 HD1 HIS 14 1HD HIS 14 -3.465 -2.982 6.815 99 HD2 HIS 14 2HD HIS 14 -2.422 1.032 6.429 100 HE1 HIS 14 1HE HIS 14 -4.546 -2.222 4.620 101 H THR 15 H THR 15 -0.944 -3.188 9.259 102 HA THR 15 HA THR 15 0.849 -2.633 11.519 103 HB THR 15 HB THR 15 0.927 -5.122 12.097 104 HG1 THR 15 HG1 THR 15 -0.208 -6.197 10.746 105 HG21 THR 15 HG21 THR 15 -0.987 -5.090 13.636 106 HG22 THR 15 HG22 THR 15 -1.639 -3.658 12.827 107 HG23 THR 15 HG23 THR 15 -0.078 -3.576 13.686 108 H VAL 16 H VAL 16 2.981 -3.578 11.186 109 HA VAL 16 HA VAL 16 3.354 -4.953 8.541 110 HB VAL 16 HB VAL 16 5.496 -3.230 9.805 111 HG11 VAL 16 HG11 VAL 16 5.140 -4.441 7.011 112 HG12 VAL 16 HG12 VAL 16 6.492 -3.419 7.543 113 HG13 VAL 16 HG13 VAL 16 6.273 -5.022 8.247 114 HG21 VAL 16 HG21 VAL 16 3.522 -2.519 7.592 115 HG22 VAL 16 HG22 VAL 16 3.720 -1.708 9.163 116 HG23 VAL 16 HG23 VAL 16 5.007 -1.614 7.966 117 H GLY 17 H GLY 17 2.779 -6.829 9.738 118 HA2 GLY 17 HA2 GLY 17 3.914 -8.934 9.938 119 HA3 GLY 17 HA3 GLY 17 5.258 -8.168 10.779 120 H ASN 18 H ASN 18 1.958 -7.435 11.788 121 HA ASN 18 HA ASN 18 2.159 -9.292 14.118 122 HB2 ASN 18 HB2 ASN 18 3.176 -7.244 14.948 123 HB3 ASN 18 HB3 ASN 18 1.873 -6.269 14.276 124 HD21 ASN 18 HD21 ASN 18 -0.157 -6.218 15.335 125 HD22 ASN 18 HD22 ASN 18 -0.344 -6.802 16.984 126 H THR 19 H THR 19 0.275 -10.436 14.114 127 HA THR 19 HA THR 19 -2.238 -9.171 13.203 128 HB THR 19 HB THR 19 -3.346 -11.232 13.880 129 HG1 THR 19 HG1 THR 19 -0.743 -12.143 14.562 130 HG21 THR 19 HG21 THR 19 -0.843 -11.850 12.255 131 HG22 THR 19 HG22 THR 19 -2.332 -11.120 11.623 132 HG23 THR 19 HG23 THR 19 -2.368 -12.762 12.280 133 H GLU 20 H GLU 20 -3.993 -8.642 14.482 134 HA GLU 20 HA GLU 20 -3.445 -8.237 17.404 135 HB2 GLU 20 HB2 GLU 20 -5.092 -6.616 15.452 136 HB3 GLU 20 HB3 GLU 20 -5.090 -6.349 17.192 137 HG2 GLU 20 HG2 GLU 20 -2.548 -6.196 15.509 138 HG3 GLU 20 HG3 GLU 20 -3.637 -4.834 15.730 139 HA PRO 21 HA PRO 21 -7.148 -10.760 17.889 140 HB2 PRO 21 HB2 PRO 21 -7.493 -10.644 20.588 141 HB3 PRO 21 HB3 PRO 21 -6.211 -11.611 19.801 142 HG2 PRO 21 HG2 PRO 21 -5.977 -8.869 21.055 143 HG3 PRO 21 HG3 PRO 21 -4.879 -10.268 21.237 144 HD2 PRO 21 HD2 PRO 21 -4.392 -8.214 19.473 145 HD3 PRO 21 HD3 PRO 21 -3.893 -9.901 19.150 146 H GLY 22 H GLY 22 -9.066 -10.044 17.275 147 HA2 GLY 22 HA2 GLY 22 -11.135 -8.942 17.412 148 HA3 GLY 22 HA3 GLY 22 -10.508 -7.886 18.670 149 H GLN 23 H GLN 23 -11.731 -6.308 17.433 150 HA GLN 23 HA GLN 23 -12.081 -4.652 15.895 151 HB2 GLN 23 HB2 GLN 23 -9.133 -4.214 16.451 152 HB3 GLN 23 HB3 GLN 23 -10.290 -3.013 15.861 153 HG2 GLN 23 HG2 GLN 23 -11.647 -3.516 18.001 154 HG3 GLN 23 HG3 GLN 23 -10.175 -4.308 18.599 155 HE21 GLN 23 HE21 GLN 23 -8.073 -2.762 18.124 156 HE22 GLN 23 HE22 GLN 23 -8.374 -1.079 18.549 157 HA PRO 24 HA PRO 24 -10.181 -6.528 12.117 158 HB2 PRO 24 HB2 PRO 24 -12.152 -8.066 11.065 159 HB3 PRO 24 HB3 PRO 24 -11.283 -8.578 12.547 160 HG2 PRO 24 HG2 PRO 24 -13.940 -7.092 12.375 161 HG3 PRO 24 HG3 PRO 24 -13.582 -8.600 13.276 162 HD2 PRO 24 HD2 PRO 24 -13.488 -6.120 14.457 163 HD3 PRO 24 HD3 PRO 24 -12.394 -7.456 14.922 164 H GLY 25 H GLY 25 -12.350 -4.140 12.556 165 HA2 GLY 25 HA2 GLY 25 -13.802 -3.889 10.118 166 HA3 GLY 25 HA3 GLY 25 -13.469 -2.586 11.266 167 H ILE 26 H ILE 26 -10.746 -2.345 11.114 168 HA ILE 26 HA ILE 26 -9.759 -2.803 8.458 169 HB ILE 26 HB ILE 26 -8.629 -0.240 8.955 170 HG12 ILE 26 HG12 ILE 26 -10.534 1.251 8.410 171 HG13 ILE 26 HG13 ILE 26 -11.666 -0.024 8.838 172 HG21 ILE 26 HG21 ILE 26 -9.550 0.136 6.661 173 HG22 ILE 26 HG22 ILE 26 -8.693 -1.408 6.841 174 HG23 ILE 26 HG23 ILE 26 -10.471 -1.356 6.825 175 HD11 ILE 26 HD11 ILE 26 -11.355 1.631 10.642 176 HD12 ILE 26 HD12 ILE 26 -10.780 0.049 11.188 177 HD13 ILE 26 HD13 ILE 26 -9.613 1.290 10.684 178 H GLY 27 H GLY 27 -8.082 -3.974 8.795 179 HA2 GLY 27 HA2 GLY 27 -5.827 -3.051 10.419 180 HA3 GLY 27 HA3 GLY 27 -6.644 -4.465 11.046 181 HA PRO 28 HA PRO 28 -5.053 -6.901 7.492 182 HB2 PRO 28 HB2 PRO 28 -4.373 -5.015 5.235 183 HB3 PRO 28 HB3 PRO 28 -5.032 -6.675 5.166 184 HG2 PRO 28 HG2 PRO 28 -6.668 -4.547 4.803 185 HG3 PRO 28 HG3 PRO 28 -7.201 -5.914 5.837 186 HD2 PRO 28 HD2 PRO 28 -6.012 -3.263 6.716 187 HD3 PRO 28 HD3 PRO 28 -7.457 -4.126 7.290 188 H ASP 29 H ASP 29 -3.047 -7.732 7.769 189 HA ASP 29 HA ASP 29 -0.832 -6.007 8.485 190 HB2 ASP 29 HB2 ASP 29 -1.386 -8.189 9.602 191 HB3 ASP 29 HB3 ASP 29 -0.884 -9.018 8.113 192 H LEU 30 H LEU 30 1.002 -5.563 7.437 193 HA LEU 30 HA LEU 30 0.980 -6.036 4.506 194 HB2 LEU 30 HB2 LEU 30 2.286 -3.790 6.055 195 HB3 LEU 30 HB3 LEU 30 1.973 -3.863 4.321 196 HG LEU 30 HG LEU 30 -0.110 -3.652 6.525 197 HD11 LEU 30 HD11 LEU 30 1.232 -1.615 6.121 198 HD12 LEU 30 HD12 LEU 30 -0.444 -1.381 5.596 199 HD13 LEU 30 HD13 LEU 30 0.830 -1.672 4.390 200 HD21 LEU 30 HD21 LEU 30 -1.711 -3.230 4.625 201 HD22 LEU 30 HD22 LEU 30 -1.065 -4.867 4.587 202 HD23 LEU 30 HD23 LEU 30 -0.426 -3.646 3.467 203 H LEU 31 H LEU 31 2.845 -7.305 6.948 204 HA LEU 31 HA LEU 31 5.490 -7.013 5.732 205 HB2 LEU 31 HB2 LEU 31 5.209 -7.579 8.033 206 HB3 LEU 31 HB3 LEU 31 4.462 -9.131 7.615 207 HG LEU 31 HG LEU 31 7.108 -8.538 6.329 208 HD11 LEU 31 HD11 LEU 31 6.930 -9.113 9.292 209 HD12 LEU 31 HD12 LEU 31 7.476 -7.596 8.526 210 HD13 LEU 31 HD13 LEU 31 8.411 -9.083 8.308 211 HD21 LEU 31 HD21 LEU 31 6.178 -10.994 7.861 212 HD22 LEU 31 HD22 LEU 31 7.478 -10.868 6.652 213 HD23 LEU 31 HD23 LEU 31 5.800 -10.719 6.152 214 H GLY 32 H GLY 32 6.495 -8.341 4.292 215 HA2 GLY 32 HA2 GLY 32 6.724 -9.936 2.583 216 HA3 GLY 32 HA3 GLY 32 5.191 -10.654 3.066 217 H VAL 33 H VAL 33 4.112 -7.608 2.593 218 HA VAL 33 HA VAL 33 3.004 -8.055 0.032 219 HB VAL 33 HB VAL 33 3.426 -5.466 1.549 220 HG11 VAL 33 HG11 VAL 33 1.609 -4.534 0.148 221 HG12 VAL 33 HG12 VAL 33 3.041 -4.899 -0.815 222 HG13 VAL 33 HG13 VAL 33 1.636 -5.987 -0.865 223 HG21 VAL 33 HG21 VAL 33 1.937 -7.222 2.610 224 HG22 VAL 33 HG22 VAL 33 1.061 -5.755 2.148 225 HG23 VAL 33 HG23 VAL 33 0.950 -7.209 1.142 226 H THR 34 H THR 34 6.036 -6.519 0.877 227 HA THR 34 HA THR 34 6.954 -5.537 -1.605 228 HB THR 34 HB THR 34 7.978 -5.121 0.616 229 HG1 THR 34 HG1 THR 34 9.221 -4.797 -1.226 230 HG21 THR 34 HG21 THR 34 8.988 -7.991 0.411 231 HG22 THR 34 HG22 THR 34 7.875 -7.327 1.628 232 HG23 THR 34 HG23 THR 34 9.551 -6.777 1.558 233 H ARG 35 H ARG 35 6.339 -8.806 -0.872 234 HA ARG 35 HA ARG 35 7.843 -9.663 -3.290 235 HB2 ARG 35 HB2 ARG 35 8.191 -11.895 -2.284 236 HB3 ARG 35 HB3 ARG 35 9.138 -10.574 -1.607 237 HG2 ARG 35 HG2 ARG 35 7.659 -10.464 0.355 238 HG3 ARG 35 HG3 ARG 35 6.674 -11.799 -0.301 239 HD2 ARG 35 HD2 ARG 35 8.617 -13.297 -0.173 240 HD3 ARG 35 HD3 ARG 35 9.647 -11.947 0.334 241 HE ARG 35 HE ARG 35 7.276 -12.707 1.968 242 HH11 ARG 35 HH11 ARG 35 10.840 -12.481 1.763 243 HH12 ARG 35 HH12 ARG 35 11.047 -12.722 3.482 244 HH21 ARG 35 HH21 ARG 35 7.607 -13.007 4.176 245 HH22 ARG 35 HH22 ARG 35 9.227 -13.054 4.837 246 H GLN 36 H GLN 36 4.938 -10.085 -1.336 247 HA GLN 36 HA GLN 36 3.451 -11.818 -2.942 248 HB2 GLN 36 HB2 GLN 36 2.955 -10.731 -0.648 249 HB3 GLN 36 HB3 GLN 36 2.371 -9.341 -1.577 250 HG2 GLN 36 HG2 GLN 36 0.767 -10.983 -2.743 251 HG3 GLN 36 HG3 GLN 36 1.288 -12.182 -1.562 252 HE21 GLN 36 HE21 GLN 36 -1.118 -12.155 -1.083 253 HE22 GLN 36 HE22 GLN 36 -1.759 -10.882 -0.042 254 H ARG 37 H ARG 37 4.068 -8.337 -3.473 255 HA ARG 37 HA ARG 37 2.368 -8.365 -5.947 256 HB2 ARG 37 HB2 ARG 37 3.004 -6.011 -4.131 257 HB3 ARG 37 HB3 ARG 37 1.920 -6.007 -5.526 258 HG2 ARG 37 HG2 ARG 37 1.465 -7.471 -2.898 259 HG3 ARG 37 HG3 ARG 37 0.680 -5.997 -3.438 260 HD2 ARG 37 HD2 ARG 37 -0.386 -7.212 -5.305 261 HD3 ARG 37 HD3 ARG 37 0.435 -8.702 -4.810 262 HE ARG 37 HE ARG 37 -1.276 -7.321 -2.826 263 HH11 ARG 37 HH11 ARG 37 -0.944 -10.109 -5.035 264 HH12 ARG 37 HH12 ARG 37 -2.223 -11.002 -4.249 265 HH21 ARG 37 HH21 ARG 37 -2.909 -8.513 -1.857 266 HH22 ARG 37 HH22 ARG 37 -3.311 -10.116 -2.431 267 H ASP 38 H ASP 38 3.024 -7.153 -7.722 268 HA ASP 38 HA ASP 38 5.822 -6.797 -8.313 269 HB2 ASP 38 HB2 ASP 38 4.098 -7.091 -10.063 270 HB3 ASP 38 HB3 ASP 38 3.338 -5.575 -9.583 271 H ALA 39 H ALA 39 7.170 -5.099 -8.118 272 HA ALA 39 HA ALA 39 6.633 -3.256 -6.042 273 HB1 ALA 39 HB1 ALA 39 8.905 -2.445 -6.570 274 HB2 ALA 39 HB2 ALA 39 8.819 -4.221 -6.568 275 HB3 ALA 39 HB3 ALA 39 8.862 -3.341 -8.108 276 H ASN 40 H ASN 40 6.408 -2.715 -9.600 277 HA ASN 40 HA ASN 40 6.054 0.181 -9.235 278 HB2 ASN 40 HB2 ASN 40 7.016 -0.695 -11.335 279 HB3 ASN 40 HB3 ASN 40 5.500 -1.547 -11.676 280 HD21 ASN 40 HD21 ASN 40 6.834 1.722 -11.034 281 HD22 ASN 40 HD22 ASN 40 5.533 2.584 -11.841 282 H TRP 41 H TRP 41 3.883 -2.628 -9.822 283 HA TRP 41 HA TRP 41 1.442 -1.149 -9.853 284 HB2 TRP 41 HB2 TRP 41 1.798 -3.572 -10.495 285 HB3 TRP 41 HB3 TRP 41 1.861 -3.958 -8.783 286 HD1 TRP 41 HD1 TRP 41 -0.526 -3.231 -11.596 287 HE1 TRP 41 HE1 TRP 41 -2.970 -3.561 -10.837 288 HE3 TRP 41 HE3 TRP 41 0.252 -3.707 -6.548 289 HZ2 TRP 41 HZ2 TRP 41 -4.380 -3.826 -8.352 290 HZ3 TRP 41 HZ3 TRP 41 -1.678 -3.950 -5.005 291 HH2 TRP 41 HH2 TRP 41 -3.995 -3.992 -5.892 292 H LEU 42 H LEU 42 3.200 -2.596 -7.077 293 HA LEU 42 HA LEU 42 1.371 -1.917 -5.033 294 HB2 LEU 42 HB2 LEU 42 3.183 -3.539 -4.818 295 HB3 LEU 42 HB3 LEU 42 4.396 -2.286 -5.072 296 HG LEU 42 HG LEU 42 3.814 -1.236 -2.924 297 HD11 LEU 42 HD11 LEU 42 1.451 -1.832 -2.702 298 HD12 LEU 42 HD12 LEU 42 2.362 -2.448 -1.317 299 HD13 LEU 42 HD13 LEU 42 1.865 -3.559 -2.617 300 HD21 LEU 42 HD21 LEU 42 4.721 -3.013 -1.478 301 HD22 LEU 42 HD22 LEU 42 5.566 -2.959 -3.029 302 HD23 LEU 42 HD23 LEU 42 4.363 -4.227 -2.730 303 H VAL 43 H VAL 43 4.152 0.004 -6.271 304 HA VAL 43 HA VAL 43 3.674 2.220 -4.433 305 HB VAL 43 HB VAL 43 5.385 1.886 -6.913 306 HG11 VAL 43 HG11 VAL 43 6.434 4.049 -6.395 307 HG12 VAL 43 HG12 VAL 43 4.764 4.248 -6.907 308 HG13 VAL 43 HG13 VAL 43 5.189 4.382 -5.183 309 HG21 VAL 43 HG21 VAL 43 6.182 0.745 -4.900 310 HG22 VAL 43 HG22 VAL 43 7.213 2.138 -5.207 311 HG23 VAL 43 HG23 VAL 43 6.002 2.208 -3.918 312 H ARG 44 H ARG 44 2.718 1.623 -7.863 313 HA ARG 44 HA ARG 44 1.353 4.115 -8.223 314 HB2 ARG 44 HB2 ARG 44 0.969 1.372 -9.469 315 HB3 ARG 44 HB3 ARG 44 -0.036 2.761 -9.889 316 HG2 ARG 44 HG2 ARG 44 1.927 4.048 -10.607 317 HG3 ARG 44 HG3 ARG 44 2.992 2.706 -10.172 318 HD2 ARG 44 HD2 ARG 44 2.581 2.690 -12.572 319 HD3 ARG 44 HD3 ARG 44 1.861 1.257 -11.831 320 HE ARG 44 HE ARG 44 0.364 3.715 -12.682 321 HH11 ARG 44 HH11 ARG 44 0.376 0.162 -12.253 322 HH12 ARG 44 HH12 ARG 44 -1.246 -0.008 -12.883 323 HH21 ARG 44 HH21 ARG 44 -1.723 3.430 -13.464 324 HH22 ARG 44 HH22 ARG 44 -2.429 1.832 -13.566 325 H TRP 45 H TRP 45 0.109 0.977 -6.964 326 HA TRP 45 HA TRP 45 -2.567 1.803 -6.531 327 HB2 TRP 45 HB2 TRP 45 -1.764 -0.535 -6.411 328 HB3 TRP 45 HB3 TRP 45 -0.880 -0.169 -4.934 329 HD1 TRP 45 HD1 TRP 45 -2.167 -0.643 -2.758 330 HE1 TRP 45 HE1 TRP 45 -4.666 -1.073 -2.111 331 HE3 TRP 45 HE3 TRP 45 -4.443 0.558 -7.177 332 HZ2 TRP 45 HZ2 TRP 45 -7.164 -1.274 -3.441 333 HZ3 TRP 45 HZ3 TRP 45 -6.916 0.404 -7.402 334 HH2 TRP 45 HH2 TRP 45 -8.280 -0.568 -5.571 335 H LEU 46 H LEU 46 0.258 2.090 -4.325 336 HA LEU 46 HA LEU 46 -1.357 3.405 -2.310 337 HB2 LEU 46 HB2 LEU 46 0.579 1.939 -1.887 338 HB3 LEU 46 HB3 LEU 46 1.654 3.141 -2.591 339 HG LEU 46 HG LEU 46 1.228 4.690 -0.767 340 HD11 LEU 46 HD11 LEU 46 -0.814 2.651 0.250 341 HD12 LEU 46 HD12 LEU 46 -1.151 4.319 -0.262 342 HD13 LEU 46 HD13 LEU 46 -0.200 4.039 1.191 343 HD21 LEU 46 HD21 LEU 46 2.095 3.339 1.090 344 HD22 LEU 46 HD22 LEU 46 2.847 2.852 -0.429 345 HD23 LEU 46 HD23 LEU 46 1.563 1.841 0.262 346 H LYS 47 H LYS 47 0.312 4.603 -5.126 347 HA LYS 47 HA LYS 47 0.122 7.431 -4.372 348 HB2 LYS 47 HB2 LYS 47 0.552 6.019 -7.031 349 HB3 LYS 47 HB3 LYS 47 0.320 7.763 -6.907 350 HG2 LYS 47 HG2 LYS 47 2.259 8.006 -5.474 351 HG3 LYS 47 HG3 LYS 47 2.495 6.256 -5.412 352 HD2 LYS 47 HD2 LYS 47 2.987 6.207 -7.833 353 HD3 LYS 47 HD3 LYS 47 2.715 7.962 -7.925 354 HE2 LYS 47 HE2 LYS 47 4.521 8.277 -6.194 355 HE3 LYS 47 HE3 LYS 47 4.832 6.535 -6.238 356 HZ1 LYS 47 HZ1 LYS 47 6.378 7.684 -7.616 357 HZ2 LYS 47 HZ2 LYS 47 5.200 8.428 -8.494 358 HZ3 LYS 47 HZ3 LYS 47 5.442 6.786 -8.590 359 H VAL 48 H VAL 48 -1.915 5.401 -6.601 360 HA VAL 48 HA VAL 48 -4.116 7.364 -6.113 361 HB VAL 48 HB VAL 48 -2.529 8.074 -7.887 362 HG11 VAL 48 HG11 VAL 48 -2.177 5.887 -9.028 363 HG12 VAL 48 HG12 VAL 48 -3.804 6.019 -9.715 364 HG13 VAL 48 HG13 VAL 48 -2.590 7.242 -10.093 365 HG21 VAL 48 HG21 VAL 48 -4.362 8.855 -9.377 366 HG22 VAL 48 HG22 VAL 48 -5.480 7.855 -8.419 367 HG23 VAL 48 HG23 VAL 48 -4.581 9.165 -7.651 368 HA PRO 49 HA PRO 49 -5.442 2.904 -6.423 369 HB2 PRO 49 HB2 PRO 49 -6.939 2.691 -4.103 370 HB3 PRO 49 HB3 PRO 49 -5.173 2.478 -4.159 371 HG2 PRO 49 HG2 PRO 49 -6.738 4.955 -3.391 372 HG3 PRO 49 HG3 PRO 49 -5.323 4.238 -2.559 373 HD2 PRO 49 HD2 PRO 49 -5.141 6.363 -4.276 374 HD3 PRO 49 HD3 PRO 49 -3.839 5.161 -4.137 375 H ASP 50 H ASP 50 -7.552 5.623 -5.386 376 HA ASP 50 HA ASP 50 -10.002 4.510 -6.262 377 HB2 ASP 50 HB2 ASP 50 -9.697 6.438 -4.708 378 HB3 ASP 50 HB3 ASP 50 -9.192 7.440 -6.070 379 H GLN 51 H GLN 51 -7.449 5.958 -8.163 380 HA GLN 51 HA GLN 51 -9.115 6.302 -10.575 381 HB2 GLN 51 HB2 GLN 51 -7.335 7.918 -9.916 382 HB3 GLN 51 HB3 GLN 51 -6.129 6.639 -10.172 383 HG2 GLN 51 HG2 GLN 51 -6.749 6.489 -12.529 384 HG3 GLN 51 HG3 GLN 51 -8.000 7.719 -12.313 385 HE21 GLN 51 HE21 GLN 51 -5.416 7.641 -13.984 386 HE22 GLN 51 HE22 GLN 51 -4.619 9.158 -13.524 387 H MET 52 H MET 52 -6.426 4.152 -9.388 388 HA MET 52 HA MET 52 -6.380 2.424 -11.652 389 HB2 MET 52 HB2 MET 52 -5.486 2.392 -8.777 390 HB3 MET 52 HB3 MET 52 -5.657 0.808 -9.562 391 HG2 MET 52 HG2 MET 52 -4.211 1.449 -11.343 392 HG3 MET 52 HG3 MET 52 -4.102 3.118 -10.751 393 HE1 MET 52 HE1 MET 52 -2.817 -0.528 -10.547 394 HE2 MET 52 HE2 MET 52 -2.049 -0.611 -8.942 395 HE3 MET 52 HE3 MET 52 -3.817 -0.468 -9.080 396 H LEU 53 H LEU 53 -8.525 2.413 -8.791 397 HA LEU 53 HA LEU 53 -9.861 -0.023 -9.612 398 HB2 LEU 53 HB2 LEU 53 -9.591 0.852 -7.261 399 HB3 LEU 53 HB3 LEU 53 -10.749 2.121 -7.643 400 HG LEU 53 HG LEU 53 -12.501 0.419 -8.009 401 HD11 LEU 53 HD11 LEU 53 -10.397 -1.629 -7.177 402 HD12 LEU 53 HD12 LEU 53 -11.151 -1.506 -8.789 403 HD13 LEU 53 HD13 LEU 53 -12.132 -1.934 -7.403 404 HD21 LEU 53 HD21 LEU 53 -12.721 -0.314 -5.668 405 HD22 LEU 53 HD22 LEU 53 -12.124 1.348 -5.735 406 HD23 LEU 53 HD23 LEU 53 -11.009 0.018 -5.363 407 H ALA 54 H ALA 54 -10.476 3.457 -10.181 408 HA ALA 54 HA ALA 54 -13.039 3.073 -11.453 409 HB1 ALA 54 HB1 ALA 54 -12.433 5.214 -10.490 410 HB2 ALA 54 HB2 ALA 54 -11.037 5.364 -11.591 411 HB3 ALA 54 HB3 ALA 54 -12.690 5.409 -12.227 412 H GLU 55 H GLU 55 -9.691 3.198 -12.758 413 HA GLU 55 HA GLU 55 -10.506 3.009 -15.512 414 HB2 GLU 55 HB2 GLU 55 -8.215 2.840 -16.031 415 HB3 GLU 55 HB3 GLU 55 -8.294 3.902 -14.642 416 HG2 GLU 55 HG2 GLU 55 -7.563 2.059 -13.227 417 HG3 GLU 55 HG3 GLU 55 -7.611 0.918 -14.558 418 H LYS 56 H LYS 56 -10.638 0.726 -13.085 419 HA LYS 56 HA LYS 56 -10.745 -1.504 -12.857 420 HB2 LYS 56 HB2 LYS 56 -11.798 -1.531 -15.708 421 HB3 LYS 56 HB3 LYS 56 -11.955 -2.809 -14.491 422 HG2 LYS 56 HG2 LYS 56 -13.079 -1.060 -12.984 423 HG3 LYS 56 HG3 LYS 56 -13.152 -0.005 -14.400 424 HD2 LYS 56 HD2 LYS 56 -14.552 -1.616 -15.589 425 HD3 LYS 56 HD3 LYS 56 -14.397 -2.785 -14.258 426 HE2 LYS 56 HE2 LYS 56 -15.416 -1.123 -12.695 427 HE3 LYS 56 HE3 LYS 56 -15.603 0.012 -14.040 428 HZ1 LYS 56 HZ1 LYS 56 -16.915 -2.651 -13.892 429 HZ2 LYS 56 HZ2 LYS 56 -17.073 -1.575 -15.107 430 HZ3 LYS 56 HZ3 LYS 56 -17.653 -1.197 -13.628 431 H ASP 57 H ASP 57 -8.521 -1.292 -12.602 432 HA ASP 57 HA ASP 57 -6.754 -2.865 -14.386 433 HB2 ASP 57 HB2 ASP 57 -5.837 -0.894 -13.069 434 HB3 ASP 57 HB3 ASP 57 -6.218 -1.775 -11.589 435 HA PRO 58 HA PRO 58 -9.385 -5.840 -12.714 436 HB2 PRO 58 HB2 PRO 58 -8.490 -8.095 -13.921 437 HB3 PRO 58 HB3 PRO 58 -9.160 -6.640 -14.754 438 HG2 PRO 58 HG2 PRO 58 -6.190 -7.140 -14.315 439 HG3 PRO 58 HG3 PRO 58 -7.040 -7.015 -15.905 440 HD2 PRO 58 HD2 PRO 58 -5.936 -4.895 -14.701 441 HD3 PRO 58 HD3 PRO 58 -7.569 -4.736 -15.429 442 H LEU 59 H LEU 59 -6.000 -6.150 -12.050 443 HA LEU 59 HA LEU 59 -6.252 -8.064 -9.870 444 HB2 LEU 59 HB2 LEU 59 -4.116 -7.646 -11.025 445 HB3 LEU 59 HB3 LEU 59 -4.112 -5.977 -10.444 446 HG LEU 59 HG LEU 59 -3.904 -6.753 -8.112 447 HD11 LEU 59 HD11 LEU 59 -3.397 -9.156 -7.649 448 HD12 LEU 59 HD12 LEU 59 -3.874 -9.558 -9.312 449 HD13 LEU 59 HD13 LEU 59 -5.066 -8.908 -8.161 450 HD21 LEU 59 HD21 LEU 59 -1.631 -7.628 -8.263 451 HD22 LEU 59 HD22 LEU 59 -1.890 -6.389 -9.500 452 HD23 LEU 59 HD23 LEU 59 -1.895 -8.106 -9.956 453 H ALA 60 H ALA 60 -6.562 -4.485 -10.076 454 HA ALA 60 HA ALA 60 -6.749 -4.120 -7.193 455 HB1 ALA 60 HB1 ALA 60 -6.063 -2.267 -8.627 456 HB2 ALA 60 HB2 ALA 60 -7.605 -2.347 -9.513 457 HB3 ALA 60 HB3 ALA 60 -7.601 -1.911 -7.805 458 H MET 61 H MET 61 -9.162 -4.395 -9.836 459 HA MET 61 HA MET 61 -11.566 -4.198 -8.378 460 HB2 MET 61 HB2 MET 61 -10.754 -5.939 -10.743 461 HB3 MET 61 HB3 MET 61 -12.419 -5.689 -10.242 462 HG2 MET 61 HG2 MET 61 -10.567 -3.385 -10.993 463 HG3 MET 61 HG3 MET 61 -11.522 -4.258 -12.179 464 HE1 MET 61 HE1 MET 61 -14.349 -4.788 -10.791 465 HE2 MET 61 HE2 MET 61 -15.117 -3.388 -11.574 466 HE3 MET 61 HE3 MET 61 -13.874 -4.336 -12.440 467 H LEU 62 H LEU 62 -9.380 -6.971 -8.707 468 HA LEU 62 HA LEU 62 -10.991 -8.836 -7.175 469 HB2 LEU 62 HB2 LEU 62 -9.109 -9.140 -8.963 470 HB3 LEU 62 HB3 LEU 62 -8.001 -8.902 -7.616 471 HG LEU 62 HG LEU 62 -10.184 -11.038 -7.651 472 HD11 LEU 62 HD11 LEU 62 -7.272 -11.348 -8.509 473 HD12 LEU 62 HD12 LEU 62 -8.674 -11.330 -9.599 474 HD13 LEU 62 HD13 LEU 62 -8.513 -12.630 -8.428 475 HD21 LEU 62 HD21 LEU 62 -7.583 -10.825 -6.062 476 HD22 LEU 62 HD22 LEU 62 -8.689 -12.220 -6.053 477 HD23 LEU 62 HD23 LEU 62 -9.230 -10.679 -5.411 478 H LEU 63 H LEU 63 -8.090 -6.770 -6.458 479 HA LEU 63 HA LEU 63 -7.598 -7.947 -3.921 480 HB2 LEU 63 HB2 LEU 63 -5.951 -6.937 -5.398 481 HB3 LEU 63 HB3 LEU 63 -6.708 -5.361 -5.273 482 HG LEU 63 HG LEU 63 -4.528 -5.766 -4.063 483 HD11 LEU 63 HD11 LEU 63 -6.771 -4.749 -2.297 484 HD12 LEU 63 HD12 LEU 63 -5.983 -3.824 -3.592 485 HD13 LEU 63 HD13 LEU 63 -5.046 -4.364 -2.191 486 HD21 LEU 63 HD21 LEU 63 -5.093 -7.980 -3.122 487 HD22 LEU 63 HD22 LEU 63 -6.267 -7.212 -2.035 488 HD23 LEU 63 HD23 LEU 63 -4.550 -6.812 -1.894 489 H PHE 64 H PHE 64 -9.460 -5.114 -4.886 490 HA PHE 64 HA PHE 64 -9.804 -4.229 -2.098 491 HB2 PHE 64 HB2 PHE 64 -10.493 -2.341 -2.909 492 HB3 PHE 64 HB3 PHE 64 -10.056 -2.924 -4.490 493 HD1 PHE 64 HD2 PHE 64 -11.942 -4.171 -5.855 494 HD2 PHE 64 HD1 PHE 64 -12.673 -1.652 -2.442 495 HE1 PHE 64 HE2 PHE 64 -14.267 -3.775 -6.645 496 HE2 PHE 64 HE1 PHE 64 -14.973 -1.209 -3.252 497 HZ PHE 64 HZ PHE 64 -15.767 -2.253 -5.366 498 H GLU 65 H GLU 65 -11.858 -6.198 -4.340 499 HA GLU 65 HA GLU 65 -13.893 -6.577 -2.416 500 HB2 GLU 65 HB2 GLU 65 -14.112 -6.605 -4.870 501 HB3 GLU 65 HB3 GLU 65 -13.214 -8.134 -4.931 502 HG2 GLU 65 HG2 GLU 65 -14.892 -9.247 -3.679 503 HG3 GLU 65 HG3 GLU 65 -15.602 -7.711 -3.146 504 H GLN 66 H GLN 66 -10.774 -8.152 -2.841 505 HA GLN 66 HA GLN 66 -11.297 -10.531 -1.376 506 HB2 GLN 66 HB2 GLN 66 -9.224 -9.993 -2.754 507 HB3 GLN 66 HB3 GLN 66 -8.734 -8.880 -1.478 508 HG2 GLN 66 HG2 GLN 66 -8.741 -10.888 0.118 509 HG3 GLN 66 HG3 GLN 66 -8.925 -11.905 -1.311 510 HE21 GLN 66 HE21 GLN 66 -6.837 -9.277 0.060 511 HE22 GLN 66 HE22 GLN 66 -5.354 -10.012 -0.514 512 H TYR 67 H TYR 67 -10.574 -7.247 -0.247 513 HA TYR 67 HA TYR 67 -10.759 -8.120 2.587 514 HB2 TYR 67 HB2 TYR 67 -9.901 -5.513 1.322 515 HB3 TYR 67 HB3 TYR 67 -10.092 -5.758 3.055 516 HD1 TYR 67 HD1 TYR 67 -8.779 -7.652 4.203 517 HD2 TYR 67 HD2 TYR 67 -7.808 -6.173 0.265 518 HE1 TYR 67 HE1 TYR 67 -6.498 -8.613 4.410 519 HE2 TYR 67 HE2 TYR 67 -5.493 -7.105 0.501 520 HH TYR 67 HH TYR 67 -4.395 -8.786 3.458 521 H ASN 68 H ASN 68 -13.015 -8.689 1.369 522 HA ASN 68 HA ASN 68 -15.219 -8.421 1.150 523 HB2 ASN 68 HB2 ASN 68 -14.897 -8.875 3.571 524 HB3 ASN 68 HB3 ASN 68 -14.998 -7.148 3.892 525 HD21 ASN 68 HD21 ASN 68 -16.819 -7.844 5.319 526 HD22 ASN 68 HD22 ASN 68 -18.396 -7.968 4.560 527 H ARG 69 H ARG 69 -14.245 -6.712 -0.470 528 HA ARG 69 HA ARG 69 -14.467 -4.769 -1.640 529 HB2 ARG 69 HB2 ARG 69 -16.647 -6.149 -1.783 530 HB3 ARG 69 HB3 ARG 69 -17.374 -4.857 -0.834 531 HG2 ARG 69 HG2 ARG 69 -16.647 -3.226 -2.624 532 HG3 ARG 69 HG3 ARG 69 -15.983 -4.594 -3.544 533 HD2 ARG 69 HD2 ARG 69 -18.225 -5.578 -3.750 534 HD3 ARG 69 HD3 ARG 69 -18.897 -4.345 -2.682 535 HE ARG 69 HE ARG 69 -18.866 -2.782 -4.374 536 HH11 ARG 69 HH11 ARG 69 -17.179 -5.696 -5.565 537 HH12 ARG 69 HH12 ARG 69 -17.179 -5.132 -7.222 538 HH21 ARG 69 HH21 ARG 69 -18.821 -2.098 -6.521 539 HH22 ARG 69 HH22 ARG 69 -18.106 -3.105 -7.759 540 H LEU 70 H LEU 70 -13.382 -4.059 0.728 541 HA LEU 70 HA LEU 70 -14.537 -1.353 1.268 542 HB2 LEU 70 HB2 LEU 70 -14.267 -2.855 3.238 543 HB3 LEU 70 HB3 LEU 70 -12.545 -2.990 2.876 544 HG LEU 70 HG LEU 70 -12.333 -0.496 3.236 545 HD11 LEU 70 HD11 LEU 70 -14.692 0.179 2.868 546 HD12 LEU 70 HD12 LEU 70 -14.133 0.655 4.470 547 HD13 LEU 70 HD13 LEU 70 -15.186 -0.763 4.291 548 HD21 LEU 70 HD21 LEU 70 -11.806 -2.138 5.006 549 HD22 LEU 70 HD22 LEU 70 -13.495 -2.114 5.544 550 HD23 LEU 70 HD23 LEU 70 -12.490 -0.656 5.698 551 H ALA 71 H ALA 71 -13.503 0.319 0.337 552 HA ALA 71 HA ALA 71 -11.096 -0.193 -1.301 553 HB1 ALA 71 HB1 ALA 71 -11.679 1.946 -2.290 554 HB2 ALA 71 HB2 ALA 71 -13.106 0.905 -2.232 555 HB3 ALA 71 HB3 ALA 71 -12.917 2.227 -1.054 556 H MET 72 H MET 72 -9.432 1.590 -1.347 557 HA MET 72 HA MET 72 -8.997 2.967 1.259 558 HB2 MET 72 HB2 MET 72 -7.343 1.191 0.927 559 HB3 MET 72 HB3 MET 72 -6.887 1.875 -0.642 560 HG2 MET 72 HG2 MET 72 -6.014 3.876 0.420 561 HG3 MET 72 HG3 MET 72 -6.707 3.405 1.972 562 HE1 MET 72 HE1 MET 72 -4.577 1.227 -0.627 563 HE2 MET 72 HE2 MET 72 -3.816 2.835 -0.601 564 HE3 MET 72 HE3 MET 72 -2.961 1.432 0.079 565 HA PRO 73 HA PRO 73 -9.362 6.463 -1.553 566 HB2 PRO 73 HB2 PRO 73 -8.968 8.548 0.153 567 HB3 PRO 73 HB3 PRO 73 -10.434 7.520 0.223 568 HG2 PRO 73 HG2 PRO 73 -7.912 7.283 1.904 569 HG3 PRO 73 HG3 PRO 73 -9.614 7.324 2.467 570 HD2 PRO 73 HD2 PRO 73 -8.258 4.984 2.092 571 HD3 PRO 73 HD3 PRO 73 -10.006 5.116 1.743 572 H ASN 74 H ASN 74 -8.031 8.192 -2.444 573 HA ASN 74 HA ASN 74 -5.113 7.806 -2.363 574 HB2 ASN 74 HB2 ASN 74 -5.960 8.678 -4.423 575 HB3 ASN 74 HB3 ASN 74 -6.994 9.846 -3.610 576 HD21 ASN 74 HD21 ASN 74 -3.600 9.228 -4.610 577 HD22 ASN 74 HD22 ASN 74 -3.122 10.877 -4.333 578 H MET 75 H MET 75 -3.655 8.871 -1.090 579 HA MET 75 HA MET 75 -4.717 10.677 1.054 580 HB2 MET 75 HB2 MET 75 -2.446 8.667 1.208 581 HB3 MET 75 HB3 MET 75 -2.944 9.779 2.492 582 HG2 MET 75 HG2 MET 75 -5.217 8.720 2.473 583 HG3 MET 75 HG3 MET 75 -4.641 7.573 1.267 584 HE1 MET 75 HE1 MET 75 -3.469 7.645 5.738 585 HE2 MET 75 HE2 MET 75 -2.913 8.940 4.662 586 HE3 MET 75 HE3 MET 75 -4.654 8.706 4.955 587 H ARG 76 H ARG 76 -3.815 11.452 -1.601 588 HA ARG 76 HA ARG 76 -2.476 12.814 -2.754 589 HB2 ARG 76 HB2 ARG 76 -2.564 14.420 -0.182 590 HB3 ARG 76 HB3 ARG 76 -2.142 15.036 -1.788 591 HG2 ARG 76 HG2 ARG 76 -4.422 14.145 -2.580 592 HG3 ARG 76 HG3 ARG 76 -4.840 13.983 -0.869 593 HD2 ARG 76 HD2 ARG 76 -3.980 16.544 -2.293 594 HD3 ARG 76 HD3 ARG 76 -5.638 16.103 -1.883 595 HE ARG 76 HE ARG 76 -3.486 16.550 0.157 596 HH11 ARG 76 HH11 ARG 76 -6.878 17.076 -0.859 597 HH12 ARG 76 HH12 ARG 76 -7.249 18.025 0.561 598 HH21 ARG 76 HH21 ARG 76 -4.027 17.778 1.959 599 HH22 ARG 76 HH22 ARG 76 -5.645 18.419 2.148 600 H LEU 77 H LEU 77 -0.958 10.707 -1.810 601 HA LEU 77 HA LEU 77 1.647 11.746 -0.910 602 HB2 LEU 77 HB2 LEU 77 0.883 8.921 -1.716 603 HB3 LEU 77 HB3 LEU 77 2.315 9.434 -0.813 604 HG LEU 77 HG LEU 77 -0.541 9.564 0.214 605 HD11 LEU 77 HD11 LEU 77 1.734 7.676 0.938 606 HD12 LEU 77 HD12 LEU 77 0.290 7.256 -0.015 607 HD13 LEU 77 HD13 LEU 77 0.119 7.724 1.682 608 HD21 LEU 77 HD21 LEU 77 0.521 9.999 2.403 609 HD22 LEU 77 HD22 LEU 77 0.878 11.293 1.250 610 HD23 LEU 77 HD23 LEU 77 2.116 10.074 1.626 611 H GLY 78 H GLY 78 3.507 11.886 -2.083 612 HA2 GLY 78 HA2 GLY 78 3.530 10.974 -4.954 613 HA3 GLY 78 HA3 GLY 78 4.238 12.496 -4.431 614 H ASP 79 H ASP 79 6.158 11.542 -5.523 615 HA ASP 79 HA ASP 79 7.535 9.314 -4.359 616 HB2 ASP 79 HB2 ASP 79 7.900 10.232 -6.660 617 HB3 ASP 79 HB3 ASP 79 8.684 11.648 -5.947 618 H ALA 80 H ALA 80 9.514 9.359 -3.147 619 HA ALA 80 HA ALA 80 10.451 9.513 -1.159 620 HB1 ALA 80 HB1 ALA 80 10.154 12.518 -1.278 621 HB2 ALA 80 HB2 ALA 80 11.308 11.581 -0.318 622 HB3 ALA 80 HB3 ALA 80 11.439 11.585 -2.085 623 H GLU 81 H GLU 81 7.190 10.294 -1.374 624 HA GLU 81 HA GLU 81 6.912 9.712 1.558 625 HB2 GLU 81 HB2 GLU 81 4.801 10.473 -0.487 626 HB3 GLU 81 HB3 GLU 81 4.479 10.014 1.178 627 HG2 GLU 81 HG2 GLU 81 5.508 11.967 2.058 628 HG3 GLU 81 HG3 GLU 81 6.306 12.355 0.529 629 H VAL 82 H VAL 82 5.552 8.587 -1.600 630 HA VAL 82 HA VAL 82 4.779 6.049 -0.481 631 HB VAL 82 HB VAL 82 5.050 6.758 -3.429 632 HG11 VAL 82 HG11 VAL 82 3.284 4.972 -3.645 633 HG12 VAL 82 HG12 VAL 82 4.775 4.309 -2.976 634 HG13 VAL 82 HG13 VAL 82 3.413 4.660 -1.908 635 HG21 VAL 82 HG21 VAL 82 2.730 7.073 -1.465 636 HG22 VAL 82 HG22 VAL 82 3.538 8.358 -2.403 637 HG23 VAL 82 HG23 VAL 82 2.546 7.156 -3.223 638 H SER 83 H SER 83 7.593 6.913 -2.580 639 HA SER 83 HA SER 83 8.590 4.233 -2.779 640 HB2 SER 83 HB2 SER 83 10.748 5.384 -3.380 641 HB3 SER 83 HB3 SER 83 9.336 5.857 -4.332 642 HG SER 83 HG SER 83 10.085 7.734 -3.865 643 H ALA 84 H ALA 84 8.993 6.718 -0.303 644 HA ALA 84 HA ALA 84 10.993 5.337 1.248 645 HB1 ALA 84 HB1 ALA 84 10.640 7.765 1.379 646 HB2 ALA 84 HB2 ALA 84 8.985 7.521 1.978 647 HB3 ALA 84 HB3 ALA 84 10.365 7.023 2.962 648 H LEU 85 H LEU 85 7.386 5.490 1.479 649 HA LEU 85 HA LEU 85 7.118 3.643 3.666 650 HB2 LEU 85 HB2 LEU 85 5.343 4.528 1.367 651 HB3 LEU 85 HB3 LEU 85 4.800 3.294 2.490 652 HG LEU 85 HG LEU 85 5.720 6.031 3.466 653 HD11 LEU 85 HD11 LEU 85 3.907 6.428 1.924 654 HD12 LEU 85 HD12 LEU 85 3.251 6.544 3.563 655 HD13 LEU 85 HD13 LEU 85 2.960 5.086 2.594 656 HD21 LEU 85 HD21 LEU 85 5.623 4.285 5.196 657 HD22 LEU 85 HD22 LEU 85 3.988 3.825 4.680 658 HD23 LEU 85 HD23 LEU 85 4.280 5.408 5.412 659 H ILE 86 H ILE 86 7.459 3.067 0.168 660 HA ILE 86 HA ILE 86 6.973 0.220 0.391 661 HB ILE 86 HB ILE 86 7.459 2.019 -1.824 662 HG12 ILE 86 HG12 ILE 86 5.941 0.190 -2.833 663 HG13 ILE 86 HG13 ILE 86 6.009 -0.638 -1.312 664 HG21 ILE 86 HG21 ILE 86 8.542 -0.823 -2.014 665 HG22 ILE 86 HG22 ILE 86 8.250 0.283 -3.369 666 HG23 ILE 86 HG23 ILE 86 9.486 0.679 -2.176 667 HD11 ILE 86 HD11 ILE 86 4.898 1.256 -0.183 668 HD12 ILE 86 HD12 ILE 86 4.953 2.202 -1.688 669 HD13 ILE 86 HD13 ILE 86 3.953 0.740 -1.586 670 H SER 87 H SER 87 9.947 2.224 0.383 671 HA SER 87 HA SER 87 11.752 0.040 0.829 672 HB2 SER 87 HB2 SER 87 11.932 2.967 1.614 673 HB3 SER 87 HB3 SER 87 13.251 1.792 1.784 674 HG SER 87 HG SER 87 13.202 3.090 -0.198 675 H TYR 88 H TYR 88 9.678 1.866 3.205 676 HA TYR 88 HA TYR 88 10.916 0.564 5.471 677 HB2 TYR 88 HB2 TYR 88 9.615 2.542 5.753 678 HB3 TYR 88 HB3 TYR 88 8.152 1.770 5.140 679 HD1 TYR 88 HD2 TYR 88 10.773 1.294 7.817 680 HD2 TYR 88 HD1 TYR 88 6.596 1.025 6.766 681 HE1 TYR 88 HE2 TYR 88 10.220 0.635 10.147 682 HE2 TYR 88 HE1 TYR 88 6.053 0.341 9.104 683 HH TYR 88 HH TYR 88 6.920 -0.248 11.179 684 H LEU 89 H LEU 89 8.003 -0.390 3.569 685 HA LEU 89 HA LEU 89 7.541 -2.834 5.035 686 HB2 LEU 89 HB2 LEU 89 6.670 -1.662 2.396 687 HB3 LEU 89 HB3 LEU 89 6.471 -3.390 2.629 688 HG LEU 89 HG LEU 89 5.066 -3.087 4.571 689 HD11 LEU 89 HD11 LEU 89 5.971 -1.036 5.562 690 HD12 LEU 89 HD12 LEU 89 4.237 -0.869 5.273 691 HD13 LEU 89 HD13 LEU 89 5.398 -0.086 4.173 692 HD21 LEU 89 HD21 LEU 89 4.245 -1.301 2.241 693 HD22 LEU 89 HD22 LEU 89 3.142 -1.989 3.457 694 HD23 LEU 89 HD23 LEU 89 4.021 -3.063 2.353 695 H GLU 90 H GLU 90 9.678 -2.106 2.296 696 HA GLU 90 HA GLU 90 10.445 -4.834 1.775 697 HB2 GLU 90 HB2 GLU 90 10.583 -2.943 0.180 698 HB3 GLU 90 HB3 GLU 90 11.888 -2.236 1.134 699 HG2 GLU 90 HG2 GLU 90 13.351 -4.093 0.593 700 HG3 GLU 90 HG3 GLU 90 12.017 -4.996 -0.136 701 H GLU 91 H GLU 91 12.037 -2.246 3.779 702 HA GLU 91 HA GLU 91 14.116 -4.102 4.532 703 HB2 GLU 91 HB2 GLU 91 15.238 -2.429 5.450 704 HB3 GLU 91 HB3 GLU 91 14.299 -1.589 4.245 705 HG2 GLU 91 HG2 GLU 91 13.815 -0.141 5.877 706 HG3 GLU 91 HG3 GLU 91 12.662 -1.314 6.474 707 H GLU 92 H GLU 92 11.109 -3.110 6.218 708 HA GLU 92 HA GLU 92 11.664 -4.556 8.650 709 HB2 GLU 92 HB2 GLU 92 9.101 -3.776 7.213 710 HB3 GLU 92 HB3 GLU 92 9.058 -4.751 8.669 711 HG2 GLU 92 HG2 GLU 92 10.397 -2.021 8.557 712 HG3 GLU 92 HG3 GLU 92 8.711 -2.288 9.014 713 H THR 93 H THR 93 10.315 -5.623 5.505 714 HA THR 93 HA THR 93 9.789 -8.355 6.353 715 HB THR 93 HB THR 93 10.281 -7.226 3.579 716 HG1 THR 93 HG1 THR 93 8.490 -6.312 4.256 717 HG21 THR 93 HG21 THR 93 10.535 -9.641 3.511 718 HG22 THR 93 HG22 THR 93 8.974 -9.212 2.815 719 HG23 THR 93 HG23 THR 93 9.048 -9.868 4.468 720 H ALA 94 H ALA 94 12.668 -6.765 4.869 721 HA ALA 94 HA ALA 94 14.236 -9.160 4.717 722 HB1 ALA 94 HB1 ALA 94 16.126 -7.608 4.488 723 HB2 ALA 94 HB2 ALA 94 14.757 -7.075 3.504 724 HB3 ALA 94 HB3 ALA 94 15.117 -6.258 5.041 725 H ARG 95 H ARG 95 13.449 -7.114 7.476 726 HA ARG 95 HA ARG 95 15.472 -8.406 9.167 727 HB2 ARG 95 HB2 ARG 95 14.636 -5.886 9.167 728 HB3 ARG 95 HB3 ARG 95 13.400 -6.518 10.250 729 HG2 ARG 95 HG2 ARG 95 15.209 -5.673 11.583 730 HG3 ARG 95 HG3 ARG 95 15.293 -7.435 11.702 731 HD2 ARG 95 HD2 ARG 95 17.120 -7.487 10.048 732 HD3 ARG 95 HD3 ARG 95 16.971 -5.749 9.785 733 HE ARG 95 HE ARG 95 18.102 -7.156 12.136 734 HH11 ARG 95 HH11 ARG 95 17.397 -3.993 10.620 735 HH12 ARG 95 HH12 ARG 95 18.508 -3.141 11.667 736 HH21 ARG 95 HH21 ARG 95 19.519 -6.008 13.446 737 HH22 ARG 95 HH22 ARG 95 19.705 -4.278 13.264 738 H LEU 96 H LEU 96 12.024 -8.692 8.677 739 HA LEU 96 HA LEU 96 10.439 -10.049 9.571 740 HB2 LEU 96 HB2 LEU 96 12.229 -11.315 8.069 741 HB3 LEU 96 HB3 LEU 96 12.481 -12.255 9.481 742 HG LEU 96 HG LEU 96 11.064 -13.489 8.137 743 HD11 LEU 96 HD11 LEU 96 9.178 -11.940 9.923 744 HD12 LEU 96 HD12 LEU 96 10.128 -13.389 10.368 745 HD13 LEU 96 HD13 LEU 96 8.837 -13.517 9.163 746 HD21 LEU 96 HD21 LEU 96 10.628 -11.841 6.498 747 HD22 LEU 96 HD22 LEU 96 9.583 -10.923 7.594 748 HD23 LEU 96 HD23 LEU 96 9.081 -12.540 7.005 749 H GLN 97 H GLN 97 11.606 -8.656 11.725 750 HA GLN 97 HA GLN 97 11.522 -10.661 13.959 751 HB2 GLN 97 HB2 GLN 97 13.008 -9.269 15.198 752 HB3 GLN 97 HB3 GLN 97 13.719 -9.590 13.618 753 HG2 GLN 97 HG2 GLN 97 13.104 -7.335 12.841 754 HG3 GLN 97 HG3 GLN 97 12.221 -7.022 14.335 755 HE21 GLN 97 HE21 GLN 97 13.516 -5.139 14.712 756 HE22 GLN 97 HE22 GLN 97 15.165 -5.310 15.293 757 H THR 98 H THR 98 10.821 -9.877 16.075 758 HA THR 98 HA THR 98 9.250 -8.999 17.506 759 HB THR 98 HB THR 98 9.891 -6.437 16.040 760 HG1 THR 98 HG1 THR 98 11.609 -6.374 17.481 761 HG21 THR 98 HG21 THR 98 9.755 -5.515 18.398 762 HG22 THR 98 HG22 THR 98 9.062 -7.066 18.915 763 HG23 THR 98 HG23 THR 98 8.206 -6.029 17.745 764 HA PRO 99 HA PRO 99 5.462 -9.007 14.887 765 HB2 PRO 99 HB2 PRO 99 4.497 -11.479 15.394 766 HB3 PRO 99 HB3 PRO 99 5.786 -11.210 14.199 767 HG2 PRO 99 HG2 PRO 99 6.105 -12.123 17.071 768 HG3 PRO 99 HG3 PRO 99 6.835 -12.827 15.597 769 HD2 PRO 99 HD2 PRO 99 8.135 -11.012 17.224 770 HD3 PRO 99 HD3 PRO 99 8.437 -11.150 15.467 771 H VAL 100 H VAL 100 5.496 -7.389 16.652 772 HA VAL 100 HA VAL 100 3.692 -7.960 18.964 773 HB VAL 100 HB VAL 100 6.400 -6.560 18.978 774 HG11 VAL 100 HG11 VAL 100 4.326 -6.763 21.219 775 HG12 VAL 100 HG12 VAL 100 5.997 -6.201 21.424 776 HG13 VAL 100 HG13 VAL 100 4.887 -5.265 20.434 777 HG21 VAL 100 HG21 VAL 100 7.002 -8.195 20.701 778 HG22 VAL 100 HG22 VAL 100 5.421 -8.976 20.526 779 HG23 VAL 100 HG23 VAL 100 6.591 -8.991 19.186 780 H THR 101 H THR 101 2.265 -6.212 19.460 781 HA THR 101 HA THR 101 1.705 -4.429 17.320 782 HB THR 101 HB THR 101 0.096 -5.290 19.045 783 HG1 THR 101 HG1 THR 101 -1.185 -3.805 18.389 784 HG21 THR 101 HG21 THR 101 1.299 -4.494 21.106 785 HG22 THR 101 HG22 THR 101 -0.383 -3.949 20.999 786 HG23 THR 101 HG23 THR 101 0.934 -2.823 20.626 787 H ASN 102 H ASN 102 1.866 -2.165 17.082 788 HA ASN 102 HA ASN 102 4.551 -1.442 17.767 789 HB2 ASN 102 HB2 ASN 102 3.309 -1.157 15.556 790 HB3 ASN 102 HB3 ASN 102 2.496 0.232 16.277 791 HD21 ASN 102 HD21 ASN 102 3.479 1.607 14.659 792 HD22 ASN 102 HD22 ASN 102 5.194 1.999 14.784 793 H ARG 103 H ARG 103 1.538 -0.513 19.231 794 HA ARG 103 HA ARG 103 0.843 1.077 20.647 795 HB2 ARG 103 HB2 ARG 103 3.634 0.816 21.819 796 HB3 ARG 103 HB3 ARG 103 2.238 1.547 22.621 797 HG2 ARG 103 HG2 ARG 103 1.015 -0.621 22.456 798 HG3 ARG 103 HG3 ARG 103 2.477 -1.368 21.774 799 HD2 ARG 103 HD2 ARG 103 3.743 -0.811 23.805 800 HD3 ARG 103 HD3 ARG 103 2.321 0.005 24.488 801 HE ARG 103 HE ARG 103 1.547 -2.622 23.826 802 HH11 ARG 103 HH11 ARG 103 3.755 -1.036 26.136 803 HH12 ARG 103 HH12 ARG 103 3.594 -2.308 27.324 804 HH21 ARG 103 HH21 ARG 103 1.356 -4.240 25.405 805 HH22 ARG 103 HH22 ARG 103 2.237 -4.119 26.912 806 H GLY 104 H GLY 104 1.888 2.068 18.190 807 HA2 GLY 104 HA2 GLY 104 3.009 4.782 18.812 808 HA3 GLY 104 HA3 GLY 104 3.360 3.839 17.362 809 H ILE 105 H ILE 105 0.157 3.312 17.765 810 HA ILE 105 HA ILE 105 -0.863 4.866 15.732 811 HB ILE 105 HB ILE 105 -1.912 2.912 16.792 812 HG12 ILE 105 HG12 ILE 105 -3.765 5.312 16.628 813 HG13 ILE 105 HG13 ILE 105 -3.184 4.328 15.276 814 HG21 ILE 105 HG21 ILE 105 -1.556 3.593 19.197 815 HG22 ILE 105 HG22 ILE 105 -2.886 4.753 19.014 816 HG23 ILE 105 HG23 ILE 105 -3.176 3.012 18.847 817 HD11 ILE 105 HD11 ILE 105 -4.334 2.339 16.259 818 HD12 ILE 105 HD12 ILE 105 -5.012 3.392 17.525 819 HD13 ILE 105 HD13 ILE 105 -5.438 3.662 15.833 820 HA PRO 106 HA PRO 106 -1.531 8.902 17.723 821 HB2 PRO 106 HB2 PRO 106 -2.641 10.298 15.688 822 HB3 PRO 106 HB3 PRO 106 -0.924 9.793 15.698 823 HG2 PRO 106 HG2 PRO 106 -3.248 8.474 14.279 824 HG3 PRO 106 HG3 PRO 106 -1.609 8.823 13.647 825 HD2 PRO 106 HD2 PRO 106 -2.400 6.367 14.671 826 HD3 PRO 106 HD3 PRO 106 -0.710 6.951 14.695 827 HHA HEC 107 HHA HEC 107 -4.979 -2.916 1.070 828 HHB HEC 107 HHB HEC 107 0.333 0.513 2.274 829 HHC HEC 107 HHC HEC 107 -3.177 4.701 5.747 830 HHD HEC 107 HHD HEC 107 -8.399 1.075 4.832 831 HMA1 HEC 107 HMA1 HEC 107 0.844 -1.925 1.512 832 HMA2 HEC 107 HMA2 HEC 107 0.188 -2.572 0.007 833 HMA3 HEC 107 HMA3 HEC 107 0.553 -0.850 0.121 834 HAA1 HEC 107 HAA1 HEC 107 -3.449 -3.496 -0.394 835 HAA2 HEC 107 HAA2 HEC 107 -1.815 -3.183 -0.898 836 HBA1 HEC 107 HBA1 HEC 107 -0.943 -4.548 0.999 837 HBA2 HEC 107 HBA2 HEC 107 -2.600 -4.850 1.532 838 HMB1 HEC 107 HMB1 HEC 107 1.656 2.078 4.747 839 HMB2 HEC 107 HMB2 HEC 107 1.697 2.093 2.977 840 HMB3 HEC 107 HMB3 HEC 107 1.749 3.607 3.872 841 HAB HEC 107 HAB HEC 107 -1.278 5.451 5.608 842 HBB1 HEC 107 HBB1 HEC 107 0.167 6.912 4.398 843 HBB2 HEC 107 HBB2 HEC 107 0.742 5.575 3.387 844 HBB3 HEC 107 HBB3 HEC 107 -0.953 6.078 3.305 845 HMC1 HEC 107 HMC1 HEC 107 -6.445 5.217 7.550 846 HMC2 HEC 107 HMC2 HEC 107 -4.698 5.167 7.411 847 HMC3 HEC 107 HMC3 HEC 107 -5.664 5.972 6.153 848 HAC HEC 107 HAC HEC 107 -8.530 2.037 6.699 849 HBC1 HEC 107 HBC1 HEC 107 -9.901 3.902 7.203 850 HBC2 HEC 107 HBC2 HEC 107 -8.579 5.046 6.904 851 HBC3 HEC 107 HBC3 HEC 107 -9.243 4.085 5.571 852 HMD1 HEC 107 HMD1 HEC 107 -9.946 -0.853 2.452 853 HMD2 HEC 107 HMD2 HEC 107 -9.666 -2.157 3.614 854 HMD3 HEC 107 HMD3 HEC 107 -9.757 -0.483 4.170 855 HAD1 HEC 107 HAD1 HEC 107 -7.622 -3.876 1.765 856 HAD2 HEC 107 HAD2 HEC 107 -8.911 -2.759 1.358 857 HBD1 HEC 107 HBD1 HEC 107 -6.520 -3.462 -0.287 858 HBD2 HEC 107 HBD2 HEC 107 -8.207 -3.355 -0.713 Start of MODEL 5 1 H SER 1 H SER 1 12.867 5.419 9.821 2 HA SER 1 HA SER 1 12.101 6.595 8.020 3 HB2 SER 1 HB2 SER 1 13.916 5.184 7.197 4 HB3 SER 1 HB3 SER 1 12.753 3.944 6.708 5 HG SER 1 HG SER 1 13.312 5.265 4.977 6 H GLY 2 H GLY 2 10.807 3.818 6.347 7 HA2 GLY 2 HA2 GLY 2 8.369 4.841 5.536 8 HA3 GLY 2 HA3 GLY 2 8.713 3.159 5.745 9 H GLU 3 H GLU 3 9.135 3.264 8.666 10 HA GLU 3 HA GLU 3 6.575 2.699 9.712 11 HB2 GLU 3 HB2 GLU 3 8.878 2.152 10.677 12 HB3 GLU 3 HB3 GLU 3 8.991 3.817 11.192 13 HG2 GLU 3 HG2 GLU 3 8.326 2.574 13.094 14 HG3 GLU 3 HG3 GLU 3 6.902 3.478 12.595 15 H GLN 4 H GLN 4 8.398 5.804 9.775 16 HA GLN 4 HA GLN 4 6.401 7.171 11.374 17 HB2 GLN 4 HB2 GLN 4 8.882 7.668 11.254 18 HB3 GLN 4 HB3 GLN 4 8.599 8.377 9.656 19 HG2 GLN 4 HG2 GLN 4 7.037 10.032 10.690 20 HG3 GLN 4 HG3 GLN 4 7.270 9.266 12.266 21 HE21 GLN 4 HE21 GLN 4 7.954 11.523 12.922 22 HE22 GLN 4 HE22 GLN 4 9.627 11.973 12.589 23 H ILE 5 H ILE 5 6.946 6.766 7.891 24 HA ILE 5 HA ILE 5 4.925 8.725 7.097 25 HB ILE 5 HB ILE 5 6.347 6.511 5.595 26 HG12 ILE 5 HG12 ILE 5 7.121 8.401 4.234 27 HG13 ILE 5 HG13 ILE 5 6.214 9.542 5.224 28 HG21 ILE 5 HG21 ILE 5 4.129 8.372 4.607 29 HG22 ILE 5 HG22 ILE 5 5.162 7.390 3.557 30 HG23 ILE 5 HG23 ILE 5 4.057 6.599 4.677 31 HD11 ILE 5 HD11 ILE 5 8.570 7.884 6.199 32 HD12 ILE 5 HD12 ILE 5 8.657 9.560 5.607 33 HD13 ILE 5 HD13 ILE 5 7.749 9.203 7.081 34 H PHE 6 H PHE 6 4.911 5.157 7.633 35 HA PHE 6 HA PHE 6 2.138 4.746 7.193 36 HB2 PHE 6 HB2 PHE 6 3.278 2.767 7.466 37 HB3 PHE 6 HB3 PHE 6 4.311 3.385 8.738 38 HD1 PHE 6 HD1 PHE 6 0.651 2.688 8.190 39 HD2 PHE 6 HD2 PHE 6 3.994 2.570 10.909 40 HE1 PHE 6 HE1 PHE 6 -0.847 1.901 9.998 41 HE2 PHE 6 HE2 PHE 6 2.514 1.672 12.687 42 HZ PHE 6 HZ PHE 6 0.085 1.367 12.247 43 H ARG 7 H ARG 7 3.789 5.632 10.249 44 HA ARG 7 HA ARG 7 1.493 5.909 11.837 45 HB2 ARG 7 HB2 ARG 7 3.903 5.644 12.513 46 HB3 ARG 7 HB3 ARG 7 4.134 7.372 12.204 47 HG2 ARG 7 HG2 ARG 7 2.483 7.910 13.963 48 HG3 ARG 7 HG3 ARG 7 2.123 6.183 14.173 49 HD2 ARG 7 HD2 ARG 7 4.496 5.810 14.853 50 HD3 ARG 7 HD3 ARG 7 4.799 7.547 14.711 51 HE ARG 7 HE ARG 7 3.351 6.122 16.822 52 HH11 ARG 7 HH11 ARG 7 3.929 9.344 15.394 53 HH12 ARG 7 HH12 ARG 7 3.413 10.182 16.839 54 HH21 ARG 7 HH21 ARG 7 2.690 7.253 18.658 55 HH22 ARG 7 HH22 ARG 7 2.713 9.003 18.682 56 H THR 8 H THR 8 2.633 8.170 9.472 57 HA THR 8 HA THR 8 0.955 10.374 10.608 58 HB THR 8 HB THR 8 2.174 11.816 8.939 59 HG1 THR 8 HG1 THR 8 4.017 9.687 8.939 60 HG21 THR 8 HG21 THR 8 4.350 11.790 10.255 61 HG22 THR 8 HG22 THR 8 3.720 10.399 11.151 62 HG23 THR 8 HG23 THR 8 2.880 11.961 11.213 63 H ARG 9 H ARG 9 1.455 8.602 7.546 64 HA ARG 9 HA ARG 9 -0.890 9.942 6.342 65 HB2 ARG 9 HB2 ARG 9 1.132 8.015 5.165 66 HB3 ARG 9 HB3 ARG 9 -0.112 8.863 4.262 67 HG2 ARG 9 HG2 ARG 9 2.158 10.261 5.764 68 HG3 ARG 9 HG3 ARG 9 2.187 9.818 4.070 69 HD2 ARG 9 HD2 ARG 9 1.613 12.095 4.071 70 HD3 ARG 9 HD3 ARG 9 0.128 11.228 3.701 71 HE ARG 9 HE ARG 9 -0.806 11.941 5.696 72 HH11 ARG 9 HH11 ARG 9 2.657 12.803 5.735 73 HH12 ARG 9 HH12 ARG 9 2.486 13.831 7.140 74 HH21 ARG 9 HH21 ARG 9 -0.974 13.281 7.503 75 HH22 ARG 9 HH22 ARG 9 0.435 14.103 8.137 76 H CYS 10 H CYS 10 -0.089 6.733 7.569 77 HA CYS 10 HA CYS 10 -2.522 5.609 6.236 78 HB2 CYS 10 HB2 CYS 10 0.096 4.241 6.829 79 HB3 CYS 10 HB3 CYS 10 -1.218 3.610 5.844 80 H SER 11 H SER 11 -1.717 6.392 9.245 81 HA SER 11 HA SER 11 -2.285 4.059 10.821 82 HB2 SER 11 HB2 SER 11 -2.381 5.691 12.645 83 HB3 SER 11 HB3 SER 11 -1.002 6.016 11.599 84 HG SER 11 HG SER 11 -2.357 7.867 12.217 85 H SER 12 H SER 12 -4.189 4.353 12.521 86 HA SER 12 HA SER 12 -6.347 4.037 12.944 87 HB2 SER 12 HB2 SER 12 -7.112 5.866 10.667 88 HB3 SER 12 HB3 SER 12 -8.087 5.421 12.071 89 HG SER 12 HG SER 12 -6.932 7.516 12.012 90 H CYS 13 H CYS 13 -4.928 2.533 10.662 91 HA CYS 13 HA CYS 13 -7.143 0.709 10.125 92 HB2 CYS 13 HB2 CYS 13 -5.649 1.909 7.767 93 HB3 CYS 13 HB3 CYS 13 -6.684 0.488 7.720 94 H HIS 14 H HIS 14 -3.734 1.376 8.994 95 HA HIS 14 HA HIS 14 -3.265 -1.525 8.892 96 HB2 HIS 14 2HB HIS 14 -1.863 0.936 7.860 97 HB3 HIS 14 3HB HIS 14 -0.991 -0.568 7.911 98 HD1 HIS 14 1HD HIS 14 -2.226 -2.705 6.481 99 HD2 HIS 14 2HD HIS 14 -3.110 1.309 5.794 100 HE1 HIS 14 1HE HIS 14 -3.048 -2.630 4.097 101 H THR 15 H THR 15 -1.053 -2.176 9.221 102 HA THR 15 HA THR 15 0.721 -0.857 11.040 103 HB THR 15 HB THR 15 1.309 -2.773 12.451 104 HG1 THR 15 HG1 THR 15 0.138 -4.483 12.616 105 HG21 THR 15 HG21 THR 15 -0.242 -1.007 13.340 106 HG22 THR 15 HG22 THR 15 -0.364 -2.587 14.125 107 HG23 THR 15 HG23 THR 15 -1.600 -2.084 12.955 108 H VAL 16 H VAL 16 2.966 -1.827 10.878 109 HA VAL 16 HA VAL 16 3.249 -3.484 8.400 110 HB VAL 16 HB VAL 16 5.508 -1.955 9.706 111 HG11 VAL 16 HG11 VAL 16 6.465 -2.247 7.409 112 HG12 VAL 16 HG12 VAL 16 6.148 -3.801 8.185 113 HG13 VAL 16 HG13 VAL 16 5.046 -3.194 6.931 114 HG21 VAL 16 HG21 VAL 16 3.791 -1.030 7.370 115 HG22 VAL 16 HG22 VAL 16 3.813 -0.286 8.987 116 HG23 VAL 16 HG23 VAL 16 5.261 -0.250 7.980 117 H GLY 17 H GLY 17 2.680 -5.394 9.290 118 HA2 GLY 17 HA2 GLY 17 3.312 -7.523 9.995 119 HA3 GLY 17 HA3 GLY 17 4.834 -6.869 10.608 120 H ASN 18 H ASN 18 4.228 -5.117 12.482 121 HA ASN 18 HA ASN 18 3.723 -6.442 14.823 122 HB2 ASN 18 HB2 ASN 18 2.904 -3.542 14.293 123 HB3 ASN 18 HB3 ASN 18 3.336 -4.238 15.839 124 HD21 ASN 18 HD21 ASN 18 4.643 -2.144 15.719 125 HD22 ASN 18 HD22 ASN 18 6.172 -2.234 14.854 126 H THR 19 H THR 19 1.904 -7.687 15.342 127 HA THR 19 HA THR 19 -0.747 -6.842 14.417 128 HB THR 19 HB THR 19 -0.014 -9.182 14.491 129 HG1 THR 19 HG1 THR 19 -2.401 -8.784 15.921 130 HG21 THR 19 HG21 THR 19 0.888 -9.221 16.776 131 HG22 THR 19 HG22 THR 19 -0.368 -10.456 16.516 132 HG23 THR 19 HG23 THR 19 -0.742 -8.965 17.422 133 H GLU 20 H GLU 20 -2.101 -5.453 15.372 134 HA GLU 20 HA GLU 20 -1.787 -4.930 18.294 135 HB2 GLU 20 HB2 GLU 20 -1.946 -2.800 16.121 136 HB3 GLU 20 HB3 GLU 20 -2.021 -2.511 17.860 137 HG2 GLU 20 HG2 GLU 20 0.260 -3.658 18.029 138 HG3 GLU 20 HG3 GLU 20 0.358 -3.544 16.275 139 HA PRO 21 HA PRO 21 -6.245 -4.948 18.134 140 HB2 PRO 21 HB2 PRO 21 -6.863 -4.406 20.706 141 HB3 PRO 21 HB3 PRO 21 -5.891 -5.839 20.263 142 HG2 PRO 21 HG2 PRO 21 -4.885 -3.144 21.239 143 HG3 PRO 21 HG3 PRO 21 -4.432 -4.781 21.821 144 HD2 PRO 21 HD2 PRO 21 -2.971 -3.369 19.953 145 HD3 PRO 21 HD3 PRO 21 -3.025 -5.152 20.042 146 H GLY 22 H GLY 22 -4.789 -2.308 17.413 147 HA2 GLY 22 HA2 GLY 22 -6.113 -0.068 18.565 148 HA3 GLY 22 HA3 GLY 22 -5.177 -0.096 17.072 149 H GLN 23 H GLN 23 -6.423 -1.284 15.196 150 HA GLN 23 HA GLN 23 -9.295 -0.541 15.176 151 HB2 GLN 23 HB2 GLN 23 -7.264 0.414 13.136 152 HB3 GLN 23 HB3 GLN 23 -9.007 0.505 12.907 153 HG2 GLN 23 HG2 GLN 23 -7.496 1.905 15.164 154 HG3 GLN 23 HG3 GLN 23 -7.981 2.644 13.656 155 HE21 GLN 23 HE21 GLN 23 -8.872 3.982 15.810 156 HE22 GLN 23 HE22 GLN 23 -10.598 3.683 16.007 157 HA PRO 24 HA PRO 24 -8.330 -4.645 13.231 158 HB2 PRO 24 HB2 PRO 24 -9.508 -6.385 14.960 159 HB3 PRO 24 HB3 PRO 24 -7.923 -5.643 15.326 160 HG2 PRO 24 HG2 PRO 24 -10.666 -4.696 16.242 161 HG3 PRO 24 HG3 PRO 24 -9.221 -5.019 17.255 162 HD2 PRO 24 HD2 PRO 24 -9.809 -2.507 16.371 163 HD3 PRO 24 HD3 PRO 24 -8.123 -3.098 16.474 164 H GLY 25 H GLY 25 -11.025 -2.866 13.808 165 HA2 GLY 25 HA2 GLY 25 -13.170 -4.505 12.789 166 HA3 GLY 25 HA3 GLY 25 -13.158 -2.744 12.928 167 H ILE 26 H ILE 26 -10.677 -2.513 11.335 168 HA ILE 26 HA ILE 26 -11.569 -3.394 8.625 169 HB ILE 26 HB ILE 26 -9.263 -1.483 9.041 170 HG12 ILE 26 HG12 ILE 26 -11.067 0.315 8.316 171 HG13 ILE 26 HG13 ILE 26 -12.200 -0.738 9.154 172 HG21 ILE 26 HG21 ILE 26 -9.789 -2.680 6.846 173 HG22 ILE 26 HG22 ILE 26 -11.307 -1.792 6.812 174 HG23 ILE 26 HG23 ILE 26 -9.770 -0.902 6.755 175 HD11 ILE 26 HD11 ILE 26 -11.355 1.099 10.584 176 HD12 ILE 26 HD12 ILE 26 -10.822 -0.451 11.249 177 HD13 ILE 26 HD13 ILE 26 -9.686 0.559 10.329 178 H GLY 27 H GLY 27 -8.631 -3.152 10.665 179 HA2 GLY 27 HA2 GLY 27 -6.977 -4.634 11.168 180 HA3 GLY 27 HA3 GLY 27 -8.019 -5.925 10.595 181 HA PRO 28 HA PRO 28 -5.596 -5.559 6.652 182 HB2 PRO 28 HB2 PRO 28 -4.973 -3.303 5.359 183 HB3 PRO 28 HB3 PRO 28 -6.665 -3.809 5.565 184 HG2 PRO 28 HG2 PRO 28 -5.129 -1.876 7.364 185 HG3 PRO 28 HG3 PRO 28 -6.652 -1.549 6.463 186 HD2 PRO 28 HD2 PRO 28 -6.784 -2.429 9.005 187 HD3 PRO 28 HD3 PRO 28 -7.863 -3.069 7.742 188 H ASP 29 H ASP 29 -3.410 -5.245 5.637 189 HA ASP 29 HA ASP 29 -1.331 -4.995 7.793 190 HB2 ASP 29 HB2 ASP 29 -1.945 -7.272 5.869 191 HB3 ASP 29 HB3 ASP 29 -0.571 -7.238 6.956 192 H LEU 30 H LEU 30 0.949 -5.069 6.919 193 HA LEU 30 HA LEU 30 1.245 -4.035 4.121 194 HB2 LEU 30 HB2 LEU 30 2.367 -2.719 6.620 195 HB3 LEU 30 HB3 LEU 30 2.822 -2.278 4.984 196 HG LEU 30 HG LEU 30 0.042 -2.011 6.156 197 HD11 LEU 30 HD11 LEU 30 1.559 -0.439 7.212 198 HD12 LEU 30 HD12 LEU 30 0.510 0.436 6.095 199 HD13 LEU 30 HD13 LEU 30 2.189 0.081 5.629 200 HD21 LEU 30 HD21 LEU 30 1.247 -0.976 3.537 201 HD22 LEU 30 HD22 LEU 30 -0.368 -0.562 4.157 202 HD23 LEU 30 HD23 LEU 30 -0.006 -2.227 3.670 203 H LEU 31 H LEU 31 2.625 -6.019 6.648 204 HA LEU 31 HA LEU 31 5.341 -5.887 5.601 205 HB2 LEU 31 HB2 LEU 31 4.832 -6.290 7.887 206 HB3 LEU 31 HB3 LEU 31 4.158 -7.880 7.513 207 HG LEU 31 HG LEU 31 6.933 -7.247 6.496 208 HD11 LEU 31 HD11 LEU 31 8.005 -7.706 8.608 209 HD12 LEU 31 HD12 LEU 31 6.435 -7.872 9.423 210 HD13 LEU 31 HD13 LEU 31 6.948 -6.295 8.767 211 HD21 LEU 31 HD21 LEU 31 5.909 -9.473 6.124 212 HD22 LEU 31 HD22 LEU 31 5.734 -9.687 7.877 213 HD23 LEU 31 HD23 LEU 31 7.351 -9.570 7.157 214 H GLY 32 H GLY 32 6.398 -7.195 4.296 215 HA2 GLY 32 HA2 GLY 32 6.897 -8.984 2.880 216 HA3 GLY 32 HA3 GLY 32 5.339 -9.697 3.245 217 H VAL 33 H VAL 33 4.414 -6.697 2.158 218 HA VAL 33 HA VAL 33 3.102 -7.832 0.046 219 HB VAL 33 HB VAL 33 2.498 -5.540 -0.621 220 HG11 VAL 33 HG11 VAL 33 1.239 -6.618 1.135 221 HG12 VAL 33 HG12 VAL 33 2.414 -6.125 2.359 222 HG13 VAL 33 HG13 VAL 33 1.431 -4.908 1.532 223 HG21 VAL 33 HG21 VAL 33 3.273 -3.604 0.640 224 HG22 VAL 33 HG22 VAL 33 4.418 -4.604 1.547 225 HG23 VAL 33 HG23 VAL 33 4.631 -4.363 -0.198 226 H THR 34 H THR 34 6.370 -6.521 -0.268 227 HA THR 34 HA THR 34 6.155 -6.340 -3.185 228 HB THR 34 HB THR 34 7.719 -4.923 -1.862 229 HG1 THR 34 HG1 THR 34 9.219 -4.996 -3.493 230 HG21 THR 34 HG21 THR 34 9.945 -5.765 -1.366 231 HG22 THR 34 HG22 THR 34 9.488 -7.408 -1.849 232 HG23 THR 34 HG23 THR 34 8.749 -6.656 -0.414 233 H ARG 35 H ARG 35 6.738 -9.042 -1.012 234 HA ARG 35 HA ARG 35 7.852 -10.633 -3.226 235 HB2 ARG 35 HB2 ARG 35 7.953 -12.498 -1.841 236 HB3 ARG 35 HB3 ARG 35 8.667 -11.134 -1.012 237 HG2 ARG 35 HG2 ARG 35 7.091 -11.108 0.652 238 HG3 ARG 35 HG3 ARG 35 5.784 -11.728 -0.370 239 HD2 ARG 35 HD2 ARG 35 8.136 -13.379 0.643 240 HD3 ARG 35 HD3 ARG 35 6.561 -13.300 1.435 241 HE ARG 35 HE ARG 35 7.262 -14.750 -1.000 242 HH11 ARG 35 HH11 ARG 35 4.523 -13.434 0.879 243 HH12 ARG 35 HH12 ARG 35 3.361 -14.492 0.109 244 HH21 ARG 35 HH21 ARG 35 5.720 -16.086 -1.967 245 HH22 ARG 35 HH22 ARG 35 4.036 -15.987 -1.499 246 H GLN 36 H GLN 36 4.683 -9.725 -2.283 247 HA GLN 36 HA GLN 36 3.532 -12.007 -3.816 248 HB2 GLN 36 HB2 GLN 36 1.645 -11.937 -2.551 249 HB3 GLN 36 HB3 GLN 36 2.891 -11.534 -1.375 250 HG2 GLN 36 HG2 GLN 36 2.291 -9.067 -1.826 251 HG3 GLN 36 HG3 GLN 36 0.894 -9.673 -2.725 252 HE21 GLN 36 HE21 GLN 36 0.225 -8.003 -0.737 253 HE22 GLN 36 HE22 GLN 36 -0.136 -8.856 0.763 254 H ARG 37 H ARG 37 4.217 -8.714 -4.365 255 HA ARG 37 HA ARG 37 2.257 -8.590 -6.632 256 HB2 ARG 37 HB2 ARG 37 3.041 -6.322 -4.754 257 HB3 ARG 37 HB3 ARG 37 2.027 -6.161 -6.183 258 HG2 ARG 37 HG2 ARG 37 1.331 -7.758 -3.702 259 HG3 ARG 37 HG3 ARG 37 0.725 -6.170 -4.110 260 HD2 ARG 37 HD2 ARG 37 -0.400 -7.049 -6.113 261 HD3 ARG 37 HD3 ARG 37 0.265 -8.656 -5.804 262 HE ARG 37 HE ARG 37 -1.468 -7.337 -3.776 263 HH11 ARG 37 HH11 ARG 37 -0.996 -10.054 -6.043 264 HH12 ARG 37 HH12 ARG 37 -2.350 -10.956 -5.400 265 HH21 ARG 37 HH21 ARG 37 -3.209 -8.541 -2.985 266 HH22 ARG 37 HH22 ARG 37 -3.598 -10.102 -3.674 267 H ASP 38 H ASP 38 2.833 -7.009 -8.315 268 HA ASP 38 HA ASP 38 5.643 -7.109 -9.106 269 HB2 ASP 38 HB2 ASP 38 3.898 -7.341 -10.781 270 HB3 ASP 38 HB3 ASP 38 3.165 -5.812 -10.305 271 H ALA 39 H ALA 39 7.102 -5.439 -9.371 272 HA ALA 39 HA ALA 39 7.104 -3.525 -7.290 273 HB1 ALA 39 HB1 ALA 39 8.912 -3.790 -9.724 274 HB2 ALA 39 HB2 ALA 39 9.301 -2.963 -8.199 275 HB3 ALA 39 HB3 ALA 39 9.064 -4.727 -8.218 276 H ASN 40 H ASN 40 5.946 -3.101 -10.624 277 HA ASN 40 HA ASN 40 5.958 -0.130 -10.284 278 HB2 ASN 40 HB2 ASN 40 5.125 -1.933 -12.587 279 HB3 ASN 40 HB3 ASN 40 4.802 -0.205 -12.538 280 HD21 ASN 40 HD21 ASN 40 7.144 -2.572 -13.353 281 HD22 ASN 40 HD22 ASN 40 8.379 -1.407 -13.776 282 H TRP 41 H TRP 41 3.672 -2.880 -10.532 283 HA TRP 41 HA TRP 41 1.244 -1.454 -10.165 284 HB2 TRP 41 HB2 TRP 41 1.461 -3.887 -10.750 285 HB3 TRP 41 HB3 TRP 41 2.016 -4.214 -9.117 286 HD1 TRP 41 HD1 TRP 41 -1.114 -3.677 -11.132 287 HE1 TRP 41 HE1 TRP 41 -3.204 -4.089 -9.725 288 HE3 TRP 41 HE3 TRP 41 1.111 -4.024 -6.531 289 HZ2 TRP 41 HZ2 TRP 41 -3.834 -4.326 -6.903 290 HZ3 TRP 41 HZ3 TRP 41 -0.290 -4.209 -4.469 291 HH2 TRP 41 HH2 TRP 41 -2.730 -4.345 -4.647 292 H LEU 42 H LEU 42 3.461 -2.762 -7.637 293 HA LEU 42 HA LEU 42 1.798 -2.111 -5.448 294 HB2 LEU 42 HB2 LEU 42 3.654 -3.716 -5.387 295 HB3 LEU 42 HB3 LEU 42 4.820 -2.422 -5.648 296 HG LEU 42 HG LEU 42 4.279 -1.445 -3.446 297 HD11 LEU 42 HD11 LEU 42 2.908 -2.741 -1.827 298 HD12 LEU 42 HD12 LEU 42 2.411 -3.843 -3.131 299 HD13 LEU 42 HD13 LEU 42 1.930 -2.128 -3.167 300 HD21 LEU 42 HD21 LEU 42 4.838 -4.433 -3.271 301 HD22 LEU 42 HD22 LEU 42 5.304 -3.179 -2.091 302 HD23 LEU 42 HD23 LEU 42 6.040 -3.194 -3.698 303 H VAL 43 H VAL 43 4.347 -0.110 -6.966 304 HA VAL 43 HA VAL 43 4.136 2.042 -5.028 305 HB VAL 43 HB VAL 43 5.332 2.112 -7.815 306 HG11 VAL 43 HG11 VAL 43 5.739 3.911 -5.373 307 HG12 VAL 43 HG12 VAL 43 6.661 4.004 -6.888 308 HG13 VAL 43 HG13 VAL 43 4.938 4.385 -6.887 309 HG21 VAL 43 HG21 VAL 43 6.443 0.389 -6.443 310 HG22 VAL 43 HG22 VAL 43 7.497 1.799 -6.559 311 HG23 VAL 43 HG23 VAL 43 6.559 1.501 -5.082 312 H ARG 44 H ARG 44 2.598 1.408 -8.175 313 HA ARG 44 HA ARG 44 1.129 3.902 -8.264 314 HB2 ARG 44 HB2 ARG 44 0.690 1.209 -9.600 315 HB3 ARG 44 HB3 ARG 44 -0.291 2.647 -9.927 316 HG2 ARG 44 HG2 ARG 44 1.635 3.882 -10.738 317 HG3 ARG 44 HG3 ARG 44 2.738 2.578 -10.279 318 HD2 ARG 44 HD2 ARG 44 1.600 1.051 -11.873 319 HD3 ARG 44 HD3 ARG 44 0.542 2.375 -12.382 320 HE ARG 44 HE ARG 44 3.423 2.012 -12.949 321 HH11 ARG 44 HH11 ARG 44 0.602 4.179 -13.288 322 HH12 ARG 44 HH12 ARG 44 1.377 5.152 -14.518 323 HH21 ARG 44 HH21 ARG 44 4.378 3.307 -14.531 324 HH22 ARG 44 HH22 ARG 44 3.507 4.659 -15.219 325 H TRP 45 H TRP 45 0.239 0.620 -7.115 326 HA TRP 45 HA TRP 45 -2.419 1.174 -6.312 327 HB2 TRP 45 HB2 TRP 45 -1.635 -1.100 -6.523 328 HB3 TRP 45 HB3 TRP 45 -0.373 -0.845 -5.323 329 HD1 TRP 45 HD1 TRP 45 -0.928 -1.647 -2.963 330 HE1 TRP 45 HE1 TRP 45 -3.036 -2.250 -1.656 331 HE3 TRP 45 HE3 TRP 45 -4.454 -0.233 -6.398 332 HZ2 TRP 45 HZ2 TRP 45 -5.910 -2.019 -1.982 333 HZ3 TRP 45 HZ3 TRP 45 -6.869 -0.373 -5.853 334 HH2 TRP 45 HH2 TRP 45 -7.610 -1.274 -3.658 335 H LEU 46 H LEU 46 0.562 1.239 -4.247 336 HA LEU 46 HA LEU 46 -1.053 1.986 -1.984 337 HB2 LEU 46 HB2 LEU 46 0.624 1.391 -0.760 338 HB3 LEU 46 HB3 LEU 46 1.343 0.754 -2.224 339 HG LEU 46 HG LEU 46 2.021 3.457 -0.967 340 HD11 LEU 46 HD11 LEU 46 3.511 0.794 -1.010 341 HD12 LEU 46 HD12 LEU 46 2.742 1.522 0.412 342 HD13 LEU 46 HD13 LEU 46 4.124 2.324 -0.349 343 HD21 LEU 46 HD21 LEU 46 3.889 3.464 -2.517 344 HD22 LEU 46 HD22 LEU 46 2.395 3.300 -3.450 345 HD23 LEU 46 HD23 LEU 46 3.394 1.866 -3.133 346 H LYS 47 H LYS 47 -0.021 3.901 -4.509 347 HA LYS 47 HA LYS 47 -0.076 6.402 -2.922 348 HB2 LYS 47 HB2 LYS 47 1.781 5.795 -4.591 349 HB3 LYS 47 HB3 LYS 47 0.593 6.083 -5.875 350 HG2 LYS 47 HG2 LYS 47 0.256 8.390 -4.941 351 HG3 LYS 47 HG3 LYS 47 1.486 8.045 -3.715 352 HD2 LYS 47 HD2 LYS 47 3.152 7.644 -5.574 353 HD3 LYS 47 HD3 LYS 47 1.914 8.163 -6.738 354 HE2 LYS 47 HE2 LYS 47 1.750 10.359 -5.580 355 HE3 LYS 47 HE3 LYS 47 2.947 9.825 -4.394 356 HZ1 LYS 47 HZ1 LYS 47 4.544 9.602 -6.253 357 HZ2 LYS 47 HZ2 LYS 47 4.041 11.138 -6.004 358 HZ3 LYS 47 HZ3 LYS 47 3.457 10.260 -7.283 359 H VAL 48 H VAL 48 -1.775 4.956 -5.772 360 HA VAL 48 HA VAL 48 -4.004 6.908 -5.289 361 HB VAL 48 HB VAL 48 -4.285 7.067 -7.740 362 HG11 VAL 48 HG11 VAL 48 -3.208 8.803 -6.335 363 HG12 VAL 48 HG12 VAL 48 -1.624 8.101 -6.736 364 HG13 VAL 48 HG13 VAL 48 -2.654 8.785 -8.010 365 HG21 VAL 48 HG21 VAL 48 -2.525 6.517 -9.265 366 HG22 VAL 48 HG22 VAL 48 -1.453 5.979 -7.962 367 HG23 VAL 48 HG23 VAL 48 -2.898 5.038 -8.382 368 HA PRO 49 HA PRO 49 -5.316 2.420 -5.479 369 HB2 PRO 49 HB2 PRO 49 -6.676 2.210 -3.104 370 HB3 PRO 49 HB3 PRO 49 -4.901 2.078 -3.257 371 HG2 PRO 49 HG2 PRO 49 -6.508 4.572 -2.571 372 HG3 PRO 49 HG3 PRO 49 -5.118 3.892 -1.661 373 HD2 PRO 49 HD2 PRO 49 -4.754 5.879 -3.397 374 HD3 PRO 49 HD3 PRO 49 -3.601 4.507 -3.351 375 H ASP 50 H ASP 50 -7.421 5.280 -4.884 376 HA ASP 50 HA ASP 50 -9.842 3.767 -5.739 377 HB2 ASP 50 HB2 ASP 50 -10.016 5.533 -4.014 378 HB3 ASP 50 HB3 ASP 50 -9.447 6.720 -5.197 379 H GLN 51 H GLN 51 -7.446 5.981 -7.089 380 HA GLN 51 HA GLN 51 -8.716 6.359 -9.650 381 HB2 GLN 51 HB2 GLN 51 -6.388 7.242 -8.255 382 HB3 GLN 51 HB3 GLN 51 -5.793 6.492 -9.733 383 HG2 GLN 51 HG2 GLN 51 -7.926 8.669 -9.570 384 HG3 GLN 51 HG3 GLN 51 -6.215 8.958 -9.872 385 HE21 GLN 51 HE21 GLN 51 -5.254 8.072 -11.868 386 HE22 GLN 51 HE22 GLN 51 -6.290 7.750 -13.257 387 H MET 52 H MET 52 -6.382 3.937 -8.412 388 HA MET 52 HA MET 52 -6.169 2.428 -10.846 389 HB2 MET 52 HB2 MET 52 -4.630 2.294 -8.811 390 HB3 MET 52 HB3 MET 52 -5.911 1.407 -7.974 391 HG2 MET 52 HG2 MET 52 -4.479 -0.260 -8.811 392 HG3 MET 52 HG3 MET 52 -5.852 -0.270 -9.899 393 HE1 MET 52 HE1 MET 52 -2.245 1.162 -9.325 394 HE2 MET 52 HE2 MET 52 -2.219 -0.588 -9.639 395 HE3 MET 52 HE3 MET 52 -1.474 0.529 -10.804 396 H LEU 53 H LEU 53 -8.427 2.040 -8.024 397 HA LEU 53 HA LEU 53 -9.708 -0.252 -9.183 398 HB2 LEU 53 HB2 LEU 53 -9.630 0.478 -6.728 399 HB3 LEU 53 HB3 LEU 53 -10.860 1.672 -7.135 400 HG LEU 53 HG LEU 53 -12.319 -0.269 -7.936 401 HD11 LEU 53 HD11 LEU 53 -11.775 -2.524 -7.097 402 HD12 LEU 53 HD12 LEU 53 -10.212 -1.946 -6.480 403 HD13 LEU 53 HD13 LEU 53 -10.533 -2.000 -8.226 404 HD21 LEU 53 HD21 LEU 53 -12.941 -0.959 -5.645 405 HD22 LEU 53 HD22 LEU 53 -12.642 0.784 -5.738 406 HD23 LEU 53 HD23 LEU 53 -11.416 -0.289 -5.024 407 H ALA 54 H ALA 54 -10.237 3.221 -9.604 408 HA ALA 54 HA ALA 54 -12.635 2.973 -11.199 409 HB1 ALA 54 HB1 ALA 54 -10.544 5.181 -11.017 410 HB2 ALA 54 HB2 ALA 54 -12.116 5.310 -11.829 411 HB3 ALA 54 HB3 ALA 54 -12.046 5.066 -10.077 412 H GLU 55 H GLU 55 -9.151 2.651 -11.989 413 HA GLU 55 HA GLU 55 -9.774 2.489 -14.848 414 HB2 GLU 55 HB2 GLU 55 -7.638 2.401 -15.331 415 HB3 GLU 55 HB3 GLU 55 -7.524 3.281 -13.831 416 HG2 GLU 55 HG2 GLU 55 -6.426 1.484 -12.763 417 HG3 GLU 55 HG3 GLU 55 -7.054 0.272 -13.879 418 H LYS 56 H LYS 56 -10.322 0.426 -12.333 419 HA LYS 56 HA LYS 56 -10.803 -1.760 -12.056 420 HB2 LYS 56 HB2 LYS 56 -11.633 -1.579 -14.971 421 HB3 LYS 56 HB3 LYS 56 -12.121 -2.841 -13.832 422 HG2 LYS 56 HG2 LYS 56 -13.284 -1.207 -12.425 423 HG3 LYS 56 HG3 LYS 56 -12.710 0.126 -13.424 424 HD2 LYS 56 HD2 LYS 56 -14.960 -0.236 -14.016 425 HD3 LYS 56 HD3 LYS 56 -13.971 -0.795 -15.371 426 HE2 LYS 56 HE2 LYS 56 -14.268 -3.152 -14.575 427 HE3 LYS 56 HE3 LYS 56 -15.265 -2.554 -13.232 428 HZ1 LYS 56 HZ1 LYS 56 -16.615 -3.296 -15.130 429 HZ2 LYS 56 HZ2 LYS 56 -15.886 -2.228 -16.114 430 HZ3 LYS 56 HZ3 LYS 56 -16.852 -1.697 -14.886 431 H ASP 57 H ASP 57 -8.234 -1.553 -12.097 432 HA ASP 57 HA ASP 57 -6.728 -3.339 -13.805 433 HB2 ASP 57 HB2 ASP 57 -5.494 -1.707 -12.545 434 HB3 ASP 57 HB3 ASP 57 -6.203 -2.267 -11.022 435 HA PRO 58 HA PRO 58 -9.212 -6.521 -12.307 436 HB2 PRO 58 HB2 PRO 58 -8.597 -8.411 -14.041 437 HB3 PRO 58 HB3 PRO 58 -9.118 -6.722 -14.516 438 HG2 PRO 58 HG2 PRO 58 -6.214 -7.608 -14.287 439 HG3 PRO 58 HG3 PRO 58 -7.066 -7.150 -15.814 440 HD2 PRO 58 HD2 PRO 58 -5.793 -5.382 -14.240 441 HD3 PRO 58 HD3 PRO 58 -7.379 -4.968 -14.976 442 H LEU 59 H LEU 59 -6.052 -6.503 -11.691 443 HA LEU 59 HA LEU 59 -5.972 -8.860 -9.880 444 HB2 LEU 59 HB2 LEU 59 -3.933 -8.057 -11.133 445 HB3 LEU 59 HB3 LEU 59 -3.945 -6.596 -10.183 446 HG LEU 59 HG LEU 59 -2.289 -8.282 -9.485 447 HD11 LEU 59 HD11 LEU 59 -3.287 -6.611 -7.860 448 HD12 LEU 59 HD12 LEU 59 -2.476 -8.020 -7.177 449 HD13 LEU 59 HD13 LEU 59 -4.245 -7.958 -7.203 450 HD21 LEU 59 HD21 LEU 59 -3.731 -10.283 -9.947 451 HD22 LEU 59 HD22 LEU 59 -4.620 -9.945 -8.445 452 HD23 LEU 59 HD23 LEU 59 -2.893 -10.325 -8.385 453 H ALA 60 H ALA 60 -5.866 -5.223 -9.525 454 HA ALA 60 HA ALA 60 -6.357 -5.276 -6.722 455 HB1 ALA 60 HB1 ALA 60 -5.540 -3.305 -7.980 456 HB2 ALA 60 HB2 ALA 60 -7.153 -3.129 -8.707 457 HB3 ALA 60 HB3 ALA 60 -6.946 -2.961 -6.945 458 H MET 61 H MET 61 -8.734 -5.103 -9.428 459 HA MET 61 HA MET 61 -11.095 -4.899 -7.934 460 HB2 MET 61 HB2 MET 61 -10.445 -6.343 -10.522 461 HB3 MET 61 HB3 MET 61 -12.082 -6.065 -9.946 462 HG2 MET 61 HG2 MET 61 -10.136 -3.766 -10.340 463 HG3 MET 61 HG3 MET 61 -11.094 -4.408 -11.664 464 HE1 MET 61 HE1 MET 61 -13.453 -4.298 -11.957 465 HE2 MET 61 HE2 MET 61 -13.931 -5.024 -10.411 466 HE3 MET 61 HE3 MET 61 -14.668 -3.486 -10.923 467 H LEU 62 H LEU 62 -9.017 -7.778 -8.303 468 HA LEU 62 HA LEU 62 -11.014 -9.575 -7.077 469 HB2 LEU 62 HB2 LEU 62 -8.059 -9.862 -7.689 470 HB3 LEU 62 HB3 LEU 62 -9.010 -11.106 -6.907 471 HG LEU 62 HG LEU 62 -9.535 -10.066 -9.716 472 HD11 LEU 62 HD11 LEU 62 -7.420 -11.343 -9.502 473 HD12 LEU 62 HD12 LEU 62 -8.632 -12.252 -10.426 474 HD13 LEU 62 HD13 LEU 62 -8.298 -12.680 -8.733 475 HD21 LEU 62 HD21 LEU 62 -10.987 -12.063 -9.927 476 HD22 LEU 62 HD22 LEU 62 -11.596 -10.937 -8.713 477 HD23 LEU 62 HD23 LEU 62 -10.730 -12.420 -8.205 478 H LEU 63 H LEU 63 -8.042 -7.764 -6.006 479 HA LEU 63 HA LEU 63 -8.088 -9.185 -3.445 480 HB2 LEU 63 HB2 LEU 63 -6.190 -8.134 -2.858 481 HB3 LEU 63 HB3 LEU 63 -6.061 -8.280 -4.600 482 HG LEU 63 HG LEU 63 -7.082 -5.784 -4.516 483 HD11 LEU 63 HD11 LEU 63 -5.585 -6.043 -1.875 484 HD12 LEU 63 HD12 LEU 63 -7.329 -5.816 -2.030 485 HD13 LEU 63 HD13 LEU 63 -6.229 -4.543 -2.587 486 HD21 LEU 63 HD21 LEU 63 -4.855 -4.905 -4.610 487 HD22 LEU 63 HD22 LEU 63 -4.880 -6.464 -5.454 488 HD23 LEU 63 HD23 LEU 63 -4.183 -6.361 -3.828 489 H PHE 64 H PHE 64 -9.534 -6.211 -4.639 490 HA PHE 64 HA PHE 64 -10.050 -5.220 -1.961 491 HB2 PHE 64 HB2 PHE 64 -10.428 -3.339 -3.002 492 HB3 PHE 64 HB3 PHE 64 -10.150 -4.115 -4.536 493 HD1 PHE 64 HD2 PHE 64 -12.130 -5.053 -5.839 494 HD2 PHE 64 HD1 PHE 64 -12.599 -2.623 -2.324 495 HE1 PHE 64 HE2 PHE 64 -14.484 -4.624 -6.454 496 HE2 PHE 64 HE1 PHE 64 -14.917 -2.122 -2.954 497 HZ PHE 64 HZ PHE 64 -15.904 -3.143 -5.022 498 H GLU 65 H GLU 65 -12.060 -7.163 -4.229 499 HA GLU 65 HA GLU 65 -14.193 -7.252 -2.252 500 HB2 GLU 65 HB2 GLU 65 -15.470 -8.540 -3.667 501 HB3 GLU 65 HB3 GLU 65 -14.719 -7.289 -4.646 502 HG2 GLU 65 HG2 GLU 65 -13.179 -8.912 -5.627 503 HG3 GLU 65 HG3 GLU 65 -13.730 -10.170 -4.513 504 H GLN 66 H GLN 66 -11.248 -8.958 -2.433 505 HA GLN 66 HA GLN 66 -12.255 -11.186 -0.810 506 HB2 GLN 66 HB2 GLN 66 -10.388 -11.535 -2.377 507 HB3 GLN 66 HB3 GLN 66 -9.424 -10.308 -1.549 508 HG2 GLN 66 HG2 GLN 66 -9.293 -11.704 0.463 509 HG3 GLN 66 HG3 GLN 66 -10.354 -12.913 -0.268 510 HE21 GLN 66 HE21 GLN 66 -7.910 -13.766 0.733 511 HE22 GLN 66 HE22 GLN 66 -6.857 -14.153 -0.610 512 H TYR 67 H TYR 67 -11.062 -7.983 -0.188 513 HA TYR 67 HA TYR 67 -10.913 -8.574 2.734 514 HB2 TYR 67 HB2 TYR 67 -9.695 -6.338 1.101 515 HB3 TYR 67 HB3 TYR 67 -9.528 -6.559 2.843 516 HD1 TYR 67 HD2 TYR 67 -8.837 -9.210 3.432 517 HD2 TYR 67 HD1 TYR 67 -7.733 -6.929 -0.056 518 HE1 TYR 67 HE2 TYR 67 -6.786 -10.587 3.170 519 HE2 TYR 67 HE1 TYR 67 -5.634 -8.269 -0.282 520 HH TYR 67 HH TYR 67 -4.313 -9.838 0.727 521 H ASN 68 H ASN 68 -13.292 -8.645 2.549 522 HA ASN 68 HA ASN 68 -15.329 -7.894 3.004 523 HB2 ASN 68 HB2 ASN 68 -13.832 -7.067 4.996 524 HB3 ASN 68 HB3 ASN 68 -14.178 -5.463 4.374 525 HD21 ASN 68 HD21 ASN 68 -15.757 -8.506 5.368 526 HD22 ASN 68 HD22 ASN 68 -17.229 -7.733 5.978 527 H ARG 69 H ARG 69 -14.265 -6.832 0.368 528 HA ARG 69 HA ARG 69 -14.530 -5.151 -1.163 529 HB2 ARG 69 HB2 ARG 69 -17.305 -5.218 0.039 530 HB3 ARG 69 HB3 ARG 69 -16.907 -4.304 -1.415 531 HG2 ARG 69 HG2 ARG 69 -16.219 -6.252 -2.609 532 HG3 ARG 69 HG3 ARG 69 -16.390 -7.294 -1.186 533 HD2 ARG 69 HD2 ARG 69 -18.700 -5.735 -2.408 534 HD3 ARG 69 HD3 ARG 69 -18.268 -7.377 -2.902 535 HE ARG 69 HE ARG 69 -18.524 -7.955 -0.413 536 HH11 ARG 69 HH11 ARG 69 -20.586 -5.537 -2.044 537 HH12 ARG 69 HH12 ARG 69 -21.956 -5.867 -1.007 538 HH21 ARG 69 HH21 ARG 69 -20.320 -8.349 0.885 539 HH22 ARG 69 HH22 ARG 69 -21.805 -7.456 0.649 540 H LEU 70 H LEU 70 -13.579 -4.163 1.594 541 HA LEU 70 HA LEU 70 -14.846 -1.675 2.083 542 HB2 LEU 70 HB2 LEU 70 -13.642 -3.190 3.653 543 HB3 LEU 70 HB3 LEU 70 -12.109 -2.657 3.002 544 HG LEU 70 HG LEU 70 -12.938 -1.767 5.239 545 HD11 LEU 70 HD11 LEU 70 -12.117 0.392 3.275 546 HD12 LEU 70 HD12 LEU 70 -11.018 -0.764 4.047 547 HD13 LEU 70 HD13 LEU 70 -11.926 0.396 5.032 548 HD21 LEU 70 HD21 LEU 70 -15.244 -1.201 4.539 549 HD22 LEU 70 HD22 LEU 70 -14.598 0.147 3.575 550 HD23 LEU 70 HD23 LEU 70 -14.391 0.133 5.335 551 H ALA 71 H ALA 71 -12.128 -2.379 0.028 552 HA ALA 71 HA ALA 71 -10.820 -1.183 -1.370 553 HB1 ALA 71 HB1 ALA 71 -12.743 1.141 -1.175 554 HB2 ALA 71 HB2 ALA 71 -11.647 0.716 -2.499 555 HB3 ALA 71 HB3 ALA 71 -13.047 -0.302 -2.157 556 H MET 72 H MET 72 -9.955 1.514 -1.426 557 HA MET 72 HA MET 72 -9.806 2.696 1.118 558 HB2 MET 72 HB2 MET 72 -7.442 2.795 1.600 559 HB3 MET 72 HB3 MET 72 -7.964 1.121 1.587 560 HG2 MET 72 HG2 MET 72 -7.019 0.888 -0.732 561 HG3 MET 72 HG3 MET 72 -6.449 2.556 -0.602 562 HE1 MET 72 HE1 MET 72 -3.866 2.171 -0.974 563 HE2 MET 72 HE2 MET 72 -3.047 0.717 -0.392 564 HE3 MET 72 HE3 MET 72 -4.436 0.566 -1.487 565 HA PRO 73 HA PRO 73 -8.893 6.071 -1.798 566 HB2 PRO 73 HB2 PRO 73 -9.138 8.226 -0.165 567 HB3 PRO 73 HB3 PRO 73 -10.516 7.178 -0.587 568 HG2 PRO 73 HG2 PRO 73 -8.888 7.188 1.949 569 HG3 PRO 73 HG3 PRO 73 -10.652 7.028 1.755 570 HD2 PRO 73 HD2 PRO 73 -8.858 4.890 2.081 571 HD3 PRO 73 HD3 PRO 73 -10.495 4.768 1.376 572 H ASN 74 H ASN 74 -7.497 8.159 -1.816 573 HA ASN 74 HA ASN 74 -4.674 7.563 -1.194 574 HB2 ASN 74 HB2 ASN 74 -5.044 8.396 -3.370 575 HB3 ASN 74 HB3 ASN 74 -6.217 9.591 -2.841 576 HD21 ASN 74 HD21 ASN 74 -2.773 8.878 -3.149 577 HD22 ASN 74 HD22 ASN 74 -2.270 10.536 -2.927 578 H MET 75 H MET 75 -3.261 9.148 -0.136 579 HA MET 75 HA MET 75 -4.570 11.005 1.789 580 HB2 MET 75 HB2 MET 75 -2.416 9.010 2.594 581 HB3 MET 75 HB3 MET 75 -3.100 10.287 3.602 582 HG2 MET 75 HG2 MET 75 -4.385 8.611 4.349 583 HG3 MET 75 HG3 MET 75 -5.400 9.153 3.030 584 HE1 MET 75 HE1 MET 75 -6.771 7.249 2.292 585 HE2 MET 75 HE2 MET 75 -6.358 5.560 2.654 586 HE3 MET 75 HE3 MET 75 -6.414 6.773 3.964 587 H ARG 76 H ARG 76 -3.203 11.693 -0.691 588 HA ARG 76 HA ARG 76 -1.699 13.200 -1.507 589 HB2 ARG 76 HB2 ARG 76 -2.346 14.460 1.174 590 HB3 ARG 76 HB3 ARG 76 -1.564 15.303 -0.168 591 HG2 ARG 76 HG2 ARG 76 -3.507 15.009 -1.599 592 HG3 ARG 76 HG3 ARG 76 -4.304 13.987 -0.394 593 HD2 ARG 76 HD2 ARG 76 -5.252 16.226 -0.319 594 HD3 ARG 76 HD3 ARG 76 -4.416 15.855 1.187 595 HE ARG 76 HE ARG 76 -2.714 17.386 0.679 596 HH11 ARG 76 HH11 ARG 76 -5.158 17.394 -1.928 597 HH12 ARG 76 HH12 ARG 76 -4.592 18.916 -2.579 598 HH21 ARG 76 HH21 ARG 76 -2.028 19.337 -0.200 599 HH22 ARG 76 HH22 ARG 76 -2.824 20.014 -1.604 600 H LEU 77 H LEU 77 -0.036 11.474 -1.354 601 HA LEU 77 HA LEU 77 1.974 11.554 0.747 602 HB2 LEU 77 HB2 LEU 77 1.898 10.180 -1.973 603 HB3 LEU 77 HB3 LEU 77 3.209 10.021 -0.827 604 HG LEU 77 HG LEU 77 1.901 8.069 -0.722 605 HD11 LEU 77 HD11 LEU 77 1.406 7.916 1.633 606 HD12 LEU 77 HD12 LEU 77 1.229 9.677 1.768 607 HD13 LEU 77 HD13 LEU 77 2.820 8.962 1.422 608 HD21 LEU 77 HD21 LEU 77 -0.561 9.634 0.113 609 HD22 LEU 77 HD22 LEU 77 -0.407 7.891 -0.165 610 HD23 LEU 77 HD23 LEU 77 -0.277 9.009 -1.531 611 H GLY 78 H GLY 78 3.857 12.553 0.872 612 HA2 GLY 78 HA2 GLY 78 4.852 14.403 -1.164 613 HA3 GLY 78 HA3 GLY 78 5.663 13.919 0.328 614 H ASP 79 H ASP 79 6.890 14.164 -2.237 615 HA ASP 79 HA ASP 79 7.033 11.679 -3.678 616 HB2 ASP 79 HB2 ASP 79 9.027 13.967 -3.620 617 HB3 ASP 79 HB3 ASP 79 8.869 12.749 -4.893 618 H ALA 80 H ALA 80 8.995 12.968 -1.016 619 HA ALA 80 HA ALA 80 10.821 10.683 -0.967 620 HB1 ALA 80 HB1 ALA 80 10.347 12.885 1.078 621 HB2 ALA 80 HB2 ALA 80 11.755 11.816 0.969 622 HB3 ALA 80 HB3 ALA 80 11.458 13.005 -0.303 623 H GLU 81 H GLU 81 7.627 11.346 0.356 624 HA GLU 81 HA GLU 81 7.841 9.518 2.608 625 HB2 GLU 81 HB2 GLU 81 5.376 10.667 1.225 626 HB3 GLU 81 HB3 GLU 81 5.339 9.649 2.651 627 HG2 GLU 81 HG2 GLU 81 6.724 11.336 3.877 628 HG3 GLU 81 HG3 GLU 81 6.617 12.399 2.485 629 H VAL 82 H VAL 82 6.633 9.260 -0.744 630 HA VAL 82 HA VAL 82 5.928 6.454 -0.637 631 HB VAL 82 HB VAL 82 6.994 8.078 -3.001 632 HG11 VAL 82 HG11 VAL 82 5.816 6.388 -4.394 633 HG12 VAL 82 HG12 VAL 82 7.084 5.628 -3.435 634 HG13 VAL 82 HG13 VAL 82 5.385 5.470 -2.939 635 HG21 VAL 82 HG21 VAL 82 4.957 9.112 -2.125 636 HG22 VAL 82 HG22 VAL 82 4.614 8.296 -3.645 637 HG23 VAL 82 HG23 VAL 82 4.127 7.536 -2.113 638 H SER 83 H SER 83 9.063 8.065 -1.513 639 HA SER 83 HA SER 83 10.525 5.665 -1.879 640 HB2 SER 83 HB2 SER 83 11.541 7.680 -2.592 641 HB3 SER 83 HB3 SER 83 11.363 8.430 -0.996 642 HG SER 83 HG SER 83 13.197 6.398 -1.777 643 H ALA 84 H ALA 84 9.909 7.413 1.224 644 HA ALA 84 HA ALA 84 11.537 5.701 2.824 645 HB1 ALA 84 HB1 ALA 84 9.032 7.277 3.541 646 HB2 ALA 84 HB2 ALA 84 10.214 6.622 4.692 647 HB3 ALA 84 HB3 ALA 84 10.699 7.894 3.559 648 H LEU 85 H LEU 85 8.069 5.411 1.893 649 HA LEU 85 HA LEU 85 7.584 2.937 3.310 650 HB2 LEU 85 HB2 LEU 85 6.297 4.380 0.968 651 HB3 LEU 85 HB3 LEU 85 5.730 2.799 1.443 652 HG LEU 85 HG LEU 85 5.828 5.176 3.336 653 HD11 LEU 85 HD11 LEU 85 3.345 5.247 2.926 654 HD12 LEU 85 HD12 LEU 85 3.560 4.038 1.642 655 HD13 LEU 85 HD13 LEU 85 4.304 5.645 1.494 656 HD21 LEU 85 HD21 LEU 85 4.407 2.481 3.539 657 HD22 LEU 85 HD22 LEU 85 4.202 3.839 4.668 658 HD23 LEU 85 HD23 LEU 85 5.763 3.034 4.547 659 H ILE 86 H ILE 86 8.740 3.587 0.010 660 HA ILE 86 HA ILE 86 8.620 0.826 -0.909 661 HB ILE 86 HB ILE 86 9.509 3.468 -1.969 662 HG12 ILE 86 HG12 ILE 86 8.165 2.801 -3.865 663 HG13 ILE 86 HG13 ILE 86 8.077 1.134 -3.293 664 HG21 ILE 86 HG21 ILE 86 11.521 2.205 -2.548 665 HG22 ILE 86 HG22 ILE 86 10.522 0.890 -3.225 666 HG23 ILE 86 HG23 ILE 86 10.537 2.494 -3.976 667 HD11 ILE 86 HD11 ILE 86 6.612 1.828 -1.424 668 HD12 ILE 86 HD12 ILE 86 6.746 3.521 -1.956 669 HD13 ILE 86 HD13 ILE 86 5.958 2.324 -2.986 670 H SER 87 H SER 87 11.157 2.889 0.442 671 HA SER 87 HA SER 87 13.252 0.892 0.278 672 HB2 SER 87 HB2 SER 87 13.141 3.327 2.080 673 HB3 SER 87 HB3 SER 87 14.581 2.428 1.554 674 HG SER 87 HG SER 87 12.830 4.079 0.074 675 H TYR 88 H TYR 88 10.863 1.826 2.853 676 HA TYR 88 HA TYR 88 12.151 0.043 4.773 677 HB2 TYR 88 HB2 TYR 88 10.970 2.090 5.391 678 HB3 TYR 88 HB3 TYR 88 9.459 1.397 4.788 679 HD1 TYR 88 HD2 TYR 88 12.230 0.147 7.070 680 HD2 TYR 88 HD1 TYR 88 8.011 0.926 6.557 681 HE1 TYR 88 HE2 TYR 88 11.798 -0.629 9.387 682 HE2 TYR 88 HE1 TYR 88 7.603 0.207 8.904 683 HH TYR 88 HH TYR 88 8.540 -0.320 10.860 684 H LEU 89 H LEU 89 9.181 -0.309 2.724 685 HA LEU 89 HA LEU 89 8.411 -2.760 4.021 686 HB2 LEU 89 HB2 LEU 89 7.561 -1.296 1.528 687 HB3 LEU 89 HB3 LEU 89 7.063 -2.961 1.742 688 HG LEU 89 HG LEU 89 5.833 -2.541 3.702 689 HD11 LEU 89 HD11 LEU 89 7.231 -0.945 4.933 690 HD12 LEU 89 HD12 LEU 89 5.574 -0.358 4.796 691 HD13 LEU 89 HD13 LEU 89 6.839 0.329 3.757 692 HD21 LEU 89 HD21 LEU 89 5.354 -0.213 1.795 693 HD22 LEU 89 HD22 LEU 89 4.167 -0.927 2.919 694 HD23 LEU 89 HD23 LEU 89 4.784 -1.879 1.556 695 H GLU 90 H GLU 90 10.632 -2.218 1.288 696 HA GLU 90 HA GLU 90 11.001 -5.026 0.690 697 HB2 GLU 90 HB2 GLU 90 11.804 -3.228 -0.779 698 HB3 GLU 90 HB3 GLU 90 12.968 -2.700 0.455 699 HG2 GLU 90 HG2 GLU 90 14.114 -4.869 0.333 700 HG3 GLU 90 HG3 GLU 90 12.851 -5.488 -0.735 701 H GLU 91 H GLU 91 12.378 -2.875 3.173 702 HA GLU 91 HA GLU 91 14.353 -4.750 4.096 703 HB2 GLU 91 HB2 GLU 91 13.798 -1.997 4.358 704 HB3 GLU 91 HB3 GLU 91 13.510 -2.600 5.969 705 HG2 GLU 91 HG2 GLU 91 16.002 -3.726 4.882 706 HG3 GLU 91 HG3 GLU 91 15.969 -1.986 4.664 707 H GLU 92 H GLU 92 11.137 -3.802 5.332 708 HA GLU 92 HA GLU 92 11.054 -5.677 7.535 709 HB2 GLU 92 HB2 GLU 92 8.903 -4.335 5.852 710 HB3 GLU 92 HB3 GLU 92 8.541 -5.321 7.259 711 HG2 GLU 92 HG2 GLU 92 10.398 -2.919 7.464 712 HG3 GLU 92 HG3 GLU 92 8.657 -2.738 7.516 713 H THR 93 H THR 93 10.261 -5.987 4.053 714 HA THR 93 HA THR 93 9.249 -8.697 4.215 715 HB THR 93 HB THR 93 10.555 -7.250 1.880 716 HG1 THR 93 HG1 THR 93 8.745 -6.230 2.400 717 HG21 THR 93 HG21 THR 93 10.593 -9.640 1.440 718 HG22 THR 93 HG22 THR 93 9.315 -8.891 0.484 719 HG23 THR 93 HG23 THR 93 8.897 -9.800 1.952 720 H ALA 94 H ALA 94 12.560 -7.387 3.849 721 HA ALA 94 HA ALA 94 13.853 -9.955 3.777 722 HB1 ALA 94 HB1 ALA 94 15.897 -8.691 4.093 723 HB2 ALA 94 HB2 ALA 94 14.853 -7.909 2.903 724 HB3 ALA 94 HB3 ALA 94 14.974 -7.241 4.541 725 H ARG 95 H ARG 95 12.121 -8.724 6.325 726 HA ARG 95 HA ARG 95 13.514 -10.529 8.225 727 HB2 ARG 95 HB2 ARG 95 12.569 -7.717 8.768 728 HB3 ARG 95 HB3 ARG 95 12.750 -8.905 10.072 729 HG2 ARG 95 HG2 ARG 95 15.089 -9.336 9.425 730 HG3 ARG 95 HG3 ARG 95 14.982 -8.110 8.155 731 HD2 ARG 95 HD2 ARG 95 14.566 -7.535 11.117 732 HD3 ARG 95 HD3 ARG 95 16.106 -7.370 10.273 733 HE ARG 95 HE ARG 95 15.307 -5.557 9.020 734 HH11 ARG 95 HH11 ARG 95 12.809 -6.689 11.306 735 HH12 ARG 95 HH12 ARG 95 11.811 -5.273 11.063 736 HH21 ARG 95 HH21 ARG 95 13.984 -3.776 8.722 737 HH22 ARG 95 HH22 ARG 95 12.484 -3.621 9.602 738 H LEU 96 H LEU 96 11.398 -11.098 6.412 739 HA LEU 96 HA LEU 96 8.833 -11.307 7.427 740 HB2 LEU 96 HB2 LEU 96 10.224 -12.314 5.259 741 HB3 LEU 96 HB3 LEU 96 9.897 -13.773 6.101 742 HG LEU 96 HG LEU 96 8.278 -13.599 4.474 743 HD11 LEU 96 HD11 LEU 96 7.333 -14.102 6.672 744 HD12 LEU 96 HD12 LEU 96 6.159 -13.296 5.594 745 HD13 LEU 96 HD13 LEU 96 6.953 -12.379 6.900 746 HD21 LEU 96 HD21 LEU 96 8.725 -11.364 3.792 747 HD22 LEU 96 HD22 LEU 96 7.992 -10.696 5.258 748 HD23 LEU 96 HD23 LEU 96 6.971 -11.536 4.052 749 H GLN 97 H GLN 97 11.617 -13.112 8.554 750 HA GLN 97 HA GLN 97 10.202 -15.119 10.096 751 HB2 GLN 97 HB2 GLN 97 13.033 -14.047 9.974 752 HB3 GLN 97 HB3 GLN 97 12.570 -15.267 11.150 753 HG2 GLN 97 HG2 GLN 97 11.963 -16.855 9.430 754 HG3 GLN 97 HG3 GLN 97 12.173 -15.647 8.158 755 HE21 GLN 97 HE21 GLN 97 14.457 -14.607 8.127 756 HE22 GLN 97 HE22 GLN 97 15.829 -15.636 8.538 757 H THR 98 H THR 98 10.885 -11.734 10.804 758 HA THR 98 HA THR 98 10.128 -12.171 13.664 759 HB THR 98 HB THR 98 11.782 -10.363 14.274 760 HG1 THR 98 HG1 THR 98 12.377 -9.581 12.288 761 HG21 THR 98 HG21 THR 98 12.871 -12.996 13.230 762 HG22 THR 98 HG22 THR 98 12.161 -12.707 14.828 763 HG23 THR 98 HG23 THR 98 13.678 -11.912 14.382 764 HA PRO 99 HA PRO 99 7.482 -8.643 12.210 765 HB2 PRO 99 HB2 PRO 99 5.035 -9.804 12.199 766 HB3 PRO 99 HB3 PRO 99 6.136 -9.924 10.796 767 HG2 PRO 99 HG2 PRO 99 5.713 -11.978 12.992 768 HG3 PRO 99 HG3 PRO 99 5.716 -12.234 11.221 769 HD2 PRO 99 HD2 PRO 99 7.927 -12.666 12.792 770 HD3 PRO 99 HD3 PRO 99 8.042 -12.089 11.103 771 H VAL 100 H VAL 100 8.307 -7.992 14.238 772 HA VAL 100 HA VAL 100 6.982 -9.019 16.711 773 HB VAL 100 HB VAL 100 9.357 -9.569 16.398 774 HG11 VAL 100 HG11 VAL 100 9.891 -6.606 16.779 775 HG12 VAL 100 HG12 VAL 100 11.099 -7.906 16.707 776 HG13 VAL 100 HG13 VAL 100 10.143 -7.505 15.269 777 HG21 VAL 100 HG21 VAL 100 10.072 -8.991 18.649 778 HG22 VAL 100 HG22 VAL 100 8.811 -7.746 18.767 779 HG23 VAL 100 HG23 VAL 100 8.375 -9.469 18.640 780 H THR 101 H THR 101 6.115 -7.670 18.224 781 HA THR 101 HA THR 101 5.210 -5.118 17.173 782 HB THR 101 HB THR 101 3.837 -5.075 19.269 783 HG1 THR 101 HG1 THR 101 4.060 -7.428 20.203 784 HG21 THR 101 HG21 THR 101 2.954 -6.243 17.281 785 HG22 THR 101 HG22 THR 101 2.467 -7.065 18.767 786 HG23 THR 101 HG23 THR 101 3.770 -7.742 17.777 787 H ASN 102 H ASN 102 6.849 -5.984 20.201 788 HA ASN 102 HA ASN 102 8.367 -5.045 21.514 789 HB2 ASN 102 HB2 ASN 102 9.505 -5.455 19.301 790 HB3 ASN 102 HB3 ASN 102 9.363 -3.731 18.971 791 HD21 ASN 102 HD21 ASN 102 10.961 -2.391 19.816 792 HD22 ASN 102 HD22 ASN 102 12.199 -2.942 20.919 793 H ARG 103 H ARG 103 6.279 -2.691 20.163 794 HA ARG 103 HA ARG 103 7.502 -0.346 21.154 795 HB2 ARG 103 HB2 ARG 103 5.301 0.741 20.722 796 HB3 ARG 103 HB3 ARG 103 6.047 -0.117 19.394 797 HG2 ARG 103 HG2 ARG 103 3.680 -0.404 19.338 798 HG3 ARG 103 HG3 ARG 103 4.443 -1.962 19.584 799 HD2 ARG 103 HD2 ARG 103 3.503 -0.457 22.024 800 HD3 ARG 103 HD3 ARG 103 2.271 -1.098 20.945 801 HE ARG 103 HE ARG 103 4.153 -2.639 22.599 802 HH11 ARG 103 HH11 ARG 103 1.628 -2.793 20.077 803 HH12 ARG 103 HH12 ARG 103 1.326 -4.495 20.347 804 HH21 ARG 103 HH21 ARG 103 3.723 -4.826 22.912 805 HH22 ARG 103 HH22 ARG 103 2.510 -5.643 21.951 806 H GLY 104 H GLY 104 6.747 1.212 22.661 807 HA2 GLY 104 HA2 GLY 104 5.287 0.272 25.052 808 HA3 GLY 104 HA3 GLY 104 6.996 0.670 25.269 809 H ILE 105 H ILE 105 5.776 2.094 26.837 810 HA ILE 105 HA ILE 105 4.375 4.421 25.893 811 HB ILE 105 HB ILE 105 5.771 3.956 28.552 812 HG12 ILE 105 HG12 ILE 105 4.143 2.189 28.254 813 HG13 ILE 105 HG13 ILE 105 3.600 3.312 29.476 814 HG21 ILE 105 HG21 ILE 105 4.186 5.631 29.462 815 HG22 ILE 105 HG22 ILE 105 5.278 6.323 28.266 816 HG23 ILE 105 HG23 ILE 105 3.600 5.967 27.819 817 HD11 ILE 105 HD11 ILE 105 1.751 2.564 28.046 818 HD12 ILE 105 HD12 ILE 105 1.982 4.310 27.879 819 HD13 ILE 105 HD13 ILE 105 2.561 3.205 26.608 820 HA PRO 106 HA PRO 106 8.051 6.964 24.979 821 HB2 PRO 106 HB2 PRO 106 6.837 9.411 24.715 822 HB3 PRO 106 HB3 PRO 106 6.823 8.128 23.464 823 HG2 PRO 106 HG2 PRO 106 4.681 8.766 25.493 824 HG3 PRO 106 HG3 PRO 106 4.486 8.464 23.739 825 HD2 PRO 106 HD2 PRO 106 4.045 6.551 25.622 826 HD3 PRO 106 HD3 PRO 106 4.760 6.140 24.037 827 HHA HEC 107 HHA HEC 107 -4.297 -3.991 0.927 828 HHB HEC 107 HHB HEC 107 0.259 0.546 1.210 829 HHC HEC 107 HHC HEC 107 -3.793 4.458 4.383 830 HHD HEC 107 HHD HEC 107 -8.140 -0.326 4.580 831 HMA1 HEC 107 HMA1 HEC 107 0.675 -2.871 -0.512 832 HMA2 HEC 107 HMA2 HEC 107 0.749 -1.112 -0.621 833 HMA3 HEC 107 HMA3 HEC 107 1.215 -1.930 0.889 834 HAA1 HEC 107 HAA1 HEC 107 -0.630 -4.564 0.404 835 HAA2 HEC 107 HAA2 HEC 107 -2.307 -4.902 0.633 836 HBA1 HEC 107 HBA1 HEC 107 -2.808 -4.347 -1.717 837 HBA2 HEC 107 HBA2 HEC 107 -1.076 -4.030 -1.989 838 HMB1 HEC 107 HMB1 HEC 107 1.429 2.273 2.198 839 HMB2 HEC 107 HMB2 HEC 107 0.800 3.372 0.936 840 HMB3 HEC 107 HMB3 HEC 107 1.192 3.971 2.539 841 HAB HEC 107 HAB HEC 107 -2.101 5.547 3.917 842 HBB1 HEC 107 HBB1 HEC 107 -1.783 5.937 1.521 843 HBB2 HEC 107 HBB2 HEC 107 -0.882 7.060 2.557 844 HBB3 HEC 107 HBB3 HEC 107 -0.033 5.745 1.727 845 HMC1 HEC 107 HMC1 HEC 107 -5.642 4.277 6.893 846 HMC2 HEC 107 HMC2 HEC 107 -5.599 5.237 5.407 847 HMC3 HEC 107 HMC3 HEC 107 -7.142 4.742 6.087 848 HAC HEC 107 HAC HEC 107 -8.563 1.019 6.096 849 HBC1 HEC 107 HBC1 HEC 107 -9.597 2.478 4.436 850 HBC2 HEC 107 HBC2 HEC 107 -10.293 2.699 6.054 851 HBC3 HEC 107 HBC3 HEC 107 -9.162 3.898 5.410 852 HMD1 HEC 107 HMD1 HEC 107 -8.700 -4.024 3.897 853 HMD2 HEC 107 HMD2 HEC 107 -8.608 -2.617 4.929 854 HMD3 HEC 107 HMD3 HEC 107 -9.444 -2.506 3.360 855 HAD1 HEC 107 HAD1 HEC 107 -7.752 -4.976 2.095 856 HAD2 HEC 107 HAD2 HEC 107 -6.343 -4.964 1.069 857 HBD1 HEC 107 HBD1 HEC 107 -6.307 -5.553 4.067 858 HBD2 HEC 107 HBD2 HEC 107 -6.283 -6.759 2.799 Start of MODEL 6 1 H SER 1 H SER 1 13.715 7.256 8.243 2 HA SER 1 HA SER 1 12.294 7.724 5.720 3 HB2 SER 1 HB2 SER 1 14.502 5.765 6.396 4 HB3 SER 1 HB3 SER 1 13.835 6.060 4.782 5 HG SER 1 HG SER 1 15.756 7.199 5.228 6 H GLY 2 H GLY 2 10.257 7.151 6.805 7 HA2 GLY 2 HA2 GLY 2 8.540 5.809 5.798 8 HA3 GLY 2 HA3 GLY 2 9.571 4.425 5.859 9 H GLU 3 H GLU 3 10.276 4.279 8.679 10 HA GLU 3 HA GLU 3 7.845 3.125 9.651 11 HB2 GLU 3 HB2 GLU 3 10.089 2.367 10.353 12 HB3 GLU 3 HB3 GLU 3 10.309 3.865 11.270 13 HG2 GLU 3 HG2 GLU 3 8.331 3.320 12.651 14 HG3 GLU 3 HG3 GLU 3 8.079 1.834 11.740 15 H GLN 4 H GLN 4 9.477 6.163 10.732 16 HA GLN 4 HA GLN 4 7.348 6.849 12.566 17 HB2 GLN 4 HB2 GLN 4 9.487 8.598 11.308 18 HB3 GLN 4 HB3 GLN 4 8.429 9.066 12.640 19 HG2 GLN 4 HG2 GLN 4 9.357 7.220 14.035 20 HG3 GLN 4 HG3 GLN 4 10.444 6.769 12.729 21 HE21 GLN 4 HE21 GLN 4 12.088 7.178 14.563 22 HE22 GLN 4 HE22 GLN 4 12.633 8.843 14.737 23 H ILE 5 H ILE 5 7.579 7.179 9.144 24 HA ILE 5 HA ILE 5 5.438 9.184 8.850 25 HB ILE 5 HB ILE 5 6.738 7.262 6.843 26 HG12 ILE 5 HG12 ILE 5 7.191 10.258 7.205 27 HG13 ILE 5 HG13 ILE 5 8.286 9.007 7.787 28 HG21 ILE 5 HG21 ILE 5 4.932 9.661 6.284 29 HG22 ILE 5 HG22 ILE 5 5.654 8.568 5.089 30 HG23 ILE 5 HG23 ILE 5 4.416 7.964 6.166 31 HD11 ILE 5 HD11 ILE 5 8.607 8.189 5.456 32 HD12 ILE 5 HD12 ILE 5 7.635 9.557 4.867 33 HD13 ILE 5 HD13 ILE 5 9.151 9.855 5.725 34 H PHE 6 H PHE 6 5.772 5.608 8.486 35 HA PHE 6 HA PHE 6 3.106 4.986 7.878 36 HB2 PHE 6 HB2 PHE 6 4.982 3.411 7.761 37 HB3 PHE 6 HB3 PHE 6 5.173 3.447 9.504 38 HD1 PHE 6 HD2 PHE 6 3.534 2.360 11.009 39 HD2 PHE 6 HD1 PHE 6 3.204 2.110 6.716 40 HE1 PHE 6 HE2 PHE 6 1.883 0.528 11.246 41 HE2 PHE 6 HE1 PHE 6 1.545 0.271 6.962 42 HZ PHE 6 HZ PHE 6 0.898 -0.515 9.224 43 H ARG 7 H ARG 7 4.582 5.525 11.083 44 HA ARG 7 HA ARG 7 2.530 4.858 12.804 45 HB2 ARG 7 HB2 ARG 7 4.910 5.669 13.258 46 HB3 ARG 7 HB3 ARG 7 4.303 7.312 13.083 47 HG2 ARG 7 HG2 ARG 7 4.474 6.730 15.414 48 HG3 ARG 7 HG3 ARG 7 2.765 6.931 15.019 49 HD2 ARG 7 HD2 ARG 7 2.405 4.538 15.002 50 HD3 ARG 7 HD3 ARG 7 4.141 4.209 15.043 51 HE ARG 7 HE ARG 7 2.397 4.974 17.279 52 HH11 ARG 7 HH11 ARG 7 5.779 4.547 16.213 53 HH12 ARG 7 HH12 ARG 7 6.383 4.415 17.849 54 HH21 ARG 7 HH21 ARG 7 3.229 4.794 19.374 55 HH22 ARG 7 HH22 ARG 7 4.942 4.555 19.635 56 H THR 8 H THR 8 2.748 7.761 10.831 57 HA THR 8 HA THR 8 0.282 8.899 12.077 58 HB THR 8 HB THR 8 2.363 10.144 12.343 59 HG1 THR 8 HG1 THR 8 1.478 12.062 11.856 60 HG21 THR 8 HG21 THR 8 3.585 9.762 10.333 61 HG22 THR 8 HG22 THR 8 3.282 11.488 10.517 62 HG23 THR 8 HG23 THR 8 2.323 10.559 9.351 63 H ARG 9 H ARG 9 1.649 8.004 8.919 64 HA ARG 9 HA ARG 9 -0.722 8.997 7.479 65 HB2 ARG 9 HB2 ARG 9 1.743 7.477 6.543 66 HB3 ARG 9 HB3 ARG 9 0.474 8.097 5.494 67 HG2 ARG 9 HG2 ARG 9 2.386 9.791 7.132 68 HG3 ARG 9 HG3 ARG 9 2.397 9.508 5.399 69 HD2 ARG 9 HD2 ARG 9 1.259 11.452 5.270 70 HD3 ARG 9 HD3 ARG 9 -0.135 10.447 5.624 71 HE ARG 9 HE ARG 9 -0.232 11.315 7.801 72 HH11 ARG 9 HH11 ARG 9 2.692 12.546 6.160 73 HH12 ARG 9 HH12 ARG 9 2.965 13.792 7.356 74 HH21 ARG 9 HH21 ARG 9 0.158 12.946 9.317 75 HH22 ARG 9 HH22 ARG 9 1.528 14.020 9.142 76 H CYS 10 H CYS 10 0.270 5.881 8.788 77 HA CYS 10 HA CYS 10 -1.783 4.481 7.094 78 HB2 CYS 10 HB2 CYS 10 0.921 3.415 7.884 79 HB3 CYS 10 HB3 CYS 10 -0.211 2.696 6.746 80 H SER 11 H SER 11 -0.153 4.515 10.236 81 HA SER 11 HA SER 11 -0.755 1.923 11.112 82 HB2 SER 11 HB2 SER 11 0.880 3.615 12.047 83 HB3 SER 11 HB3 SER 11 -0.494 4.384 12.872 84 HG SER 11 HG SER 11 0.124 2.994 14.348 85 H SER 12 H SER 12 -2.973 4.639 10.964 86 HA SER 12 HA SER 12 -4.904 3.758 12.871 87 HB2 SER 12 HB2 SER 12 -6.476 5.151 11.595 88 HB3 SER 12 HB3 SER 12 -4.957 5.991 11.925 89 HG SER 12 HG SER 12 -6.023 5.935 9.676 90 H CYS 13 H CYS 13 -4.064 2.326 9.807 91 HA CYS 13 HA CYS 13 -6.392 0.458 10.050 92 HB2 CYS 13 HB2 CYS 13 -5.355 1.646 7.484 93 HB3 CYS 13 HB3 CYS 13 -6.732 0.563 7.656 94 H HIS 14 H HIS 14 -3.147 0.356 10.281 95 HA HIS 14 HA HIS 14 -2.887 -2.255 8.939 96 HB2 HIS 14 2HB HIS 14 -1.376 0.251 8.113 97 HB3 HIS 14 3HB HIS 14 -0.728 -1.347 7.780 98 HD1 HIS 14 1HD HIS 14 -3.216 -2.900 6.784 99 HD2 HIS 14 2HD HIS 14 -2.100 1.013 5.882 100 HE1 HIS 14 1HE HIS 14 -4.292 -2.406 4.520 101 H THR 15 H THR 15 -0.790 -3.081 8.967 102 HA THR 15 HA THR 15 1.119 -2.425 11.111 103 HB THR 15 HB THR 15 1.283 -4.826 11.811 104 HG1 THR 15 HG1 THR 15 0.243 -5.939 10.298 105 HG21 THR 15 HG21 THR 15 -0.655 -4.877 13.304 106 HG22 THR 15 HG22 THR 15 -1.447 -3.600 12.378 107 HG23 THR 15 HG23 THR 15 0.056 -3.247 13.270 108 H VAL 16 H VAL 16 3.207 -3.434 10.748 109 HA VAL 16 HA VAL 16 3.607 -4.740 8.084 110 HB VAL 16 HB VAL 16 5.653 -2.837 9.278 111 HG11 VAL 16 HG11 VAL 16 6.612 -2.959 7.005 112 HG12 VAL 16 HG12 VAL 16 6.505 -4.578 7.689 113 HG13 VAL 16 HG13 VAL 16 5.309 -4.054 6.484 114 HG21 VAL 16 HG21 VAL 16 4.987 -1.286 7.419 115 HG22 VAL 16 HG22 VAL 16 3.545 -2.290 7.150 116 HG23 VAL 16 HG23 VAL 16 3.781 -1.437 8.695 117 H GLY 17 H GLY 17 3.067 -6.491 9.558 118 HA2 GLY 17 HA2 GLY 17 4.443 -8.542 9.849 119 HA3 GLY 17 HA3 GLY 17 5.539 -7.620 10.873 120 H ASN 18 H ASN 18 2.190 -6.926 11.454 121 HA ASN 18 HA ASN 18 2.214 -8.718 13.853 122 HB2 ASN 18 HB2 ASN 18 1.529 -5.758 13.853 123 HB3 ASN 18 HB3 ASN 18 1.245 -6.870 15.184 124 HD21 ASN 18 HD21 ASN 18 2.496 -4.816 15.952 125 HD22 ASN 18 HD22 ASN 18 4.251 -5.118 16.083 126 H THR 19 H THR 19 0.910 -9.661 11.754 127 HA THR 19 HA THR 19 -1.686 -8.640 11.293 128 HB THR 19 HB THR 19 -0.283 -10.196 9.850 129 HG1 THR 19 HG1 THR 19 -2.094 -10.797 8.813 130 HG21 THR 19 HG21 THR 19 -0.239 -11.994 11.666 131 HG22 THR 19 HG22 THR 19 -0.652 -12.516 10.012 132 HG23 THR 19 HG23 THR 19 -1.929 -12.315 11.239 133 H GLU 20 H GLU 20 -3.690 -9.959 11.403 134 HA GLU 20 HA GLU 20 -5.530 -10.142 12.740 135 HB2 GLU 20 HB2 GLU 20 -3.877 -12.429 13.819 136 HB3 GLU 20 HB3 GLU 20 -5.595 -12.169 14.145 137 HG2 GLU 20 HG2 GLU 20 -5.925 -12.066 11.590 138 HG3 GLU 20 HG3 GLU 20 -4.291 -12.716 11.452 139 HA PRO 21 HA PRO 21 -4.388 -7.666 16.469 140 HB2 PRO 21 HB2 PRO 21 -5.538 -5.327 15.741 141 HB3 PRO 21 HB3 PRO 21 -3.937 -5.814 15.134 142 HG2 PRO 21 HG2 PRO 21 -6.618 -6.151 13.741 143 HG3 PRO 21 HG3 PRO 21 -5.128 -5.386 13.098 144 HD2 PRO 21 HD2 PRO 21 -5.756 -7.996 12.618 145 HD3 PRO 21 HD3 PRO 21 -4.064 -7.458 12.829 146 H GLY 22 H GLY 22 -6.585 -6.035 17.313 147 HA2 GLY 22 HA2 GLY 22 -8.869 -7.834 17.777 148 HA3 GLY 22 HA3 GLY 22 -8.719 -6.134 18.228 149 H GLN 23 H GLN 23 -10.992 -5.970 17.356 150 HA GLN 23 HA GLN 23 -11.315 -6.110 14.439 151 HB2 GLN 23 HB2 GLN 23 -13.118 -5.254 16.691 152 HB3 GLN 23 HB3 GLN 23 -13.475 -4.763 15.027 153 HG2 GLN 23 HG2 GLN 23 -13.398 -7.100 14.265 154 HG3 GLN 23 HG3 GLN 23 -13.002 -7.641 15.893 155 HE21 GLN 23 HE21 GLN 23 -14.699 -7.493 17.572 156 HE22 GLN 23 HE22 GLN 23 -16.377 -7.515 17.012 157 HA PRO 24 HA PRO 24 -10.467 -1.419 14.518 158 HB2 PRO 24 HB2 PRO 24 -8.916 -1.066 17.067 159 HB3 PRO 24 HB3 PRO 24 -10.081 0.059 16.305 160 HG2 PRO 24 HG2 PRO 24 -10.763 -1.375 18.518 161 HG3 PRO 24 HG3 PRO 24 -11.937 -1.154 17.179 162 HD2 PRO 24 HD2 PRO 24 -10.131 -3.533 17.723 163 HD3 PRO 24 HD3 PRO 24 -11.881 -3.507 17.348 164 H GLY 25 H GLY 25 -8.389 -0.222 14.049 165 HA2 GLY 25 HA2 GLY 25 -6.329 -0.375 12.963 166 HA3 GLY 25 HA3 GLY 25 -6.092 -2.014 13.576 167 H ILE 26 H ILE 26 -9.161 -1.939 12.293 168 HA ILE 26 HA ILE 26 -10.266 -2.495 10.447 169 HB ILE 26 HB ILE 26 -7.994 -1.207 8.929 170 HG12 ILE 26 HG12 ILE 26 -8.652 0.390 10.610 171 HG13 ILE 26 HG13 ILE 26 -9.303 0.894 9.071 172 HG21 ILE 26 HG21 ILE 26 -10.927 -1.562 8.184 173 HG22 ILE 26 HG22 ILE 26 -9.758 -0.553 7.317 174 HG23 ILE 26 HG23 ILE 26 -9.524 -2.301 7.392 175 HD11 ILE 26 HD11 ILE 26 -11.558 0.063 9.731 176 HD12 ILE 26 HD12 ILE 26 -10.892 -0.427 11.311 177 HD13 ILE 26 HD13 ILE 26 -10.914 1.280 10.846 178 H GLY 27 H GLY 27 -7.045 -3.781 10.441 179 HA2 GLY 27 HA2 GLY 27 -7.256 -6.262 10.634 180 HA3 GLY 27 HA3 GLY 27 -8.130 -6.259 9.120 181 HA PRO 28 HA PRO 28 -4.769 -7.111 6.811 182 HB2 PRO 28 HB2 PRO 28 -4.293 -4.641 5.214 183 HB3 PRO 28 HB3 PRO 28 -4.845 -6.252 4.681 184 HG2 PRO 28 HG2 PRO 28 -6.582 -4.168 4.849 185 HG3 PRO 28 HG3 PRO 28 -7.075 -5.812 5.366 186 HD2 PRO 28 HD2 PRO 28 -6.074 -3.533 7.111 187 HD3 PRO 28 HD3 PRO 28 -7.533 -4.542 7.302 188 H ASP 29 H ASP 29 -2.687 -7.609 6.829 189 HA ASP 29 HA ASP 29 -0.670 -5.727 7.973 190 HB2 ASP 29 HB2 ASP 29 -1.161 -7.705 9.323 191 HB3 ASP 29 HB3 ASP 29 -0.791 -8.758 7.952 192 H LEU 30 H LEU 30 1.285 -5.460 7.003 193 HA LEU 30 HA LEU 30 1.251 -6.041 4.090 194 HB2 LEU 30 HB2 LEU 30 2.699 -3.845 5.587 195 HB3 LEU 30 HB3 LEU 30 2.388 -3.934 3.856 196 HG LEU 30 HG LEU 30 0.306 -3.548 6.048 197 HD11 LEU 30 HD11 LEU 30 0.079 -1.294 5.134 198 HD12 LEU 30 HD12 LEU 30 1.298 -1.646 3.880 199 HD13 LEU 30 HD13 LEU 30 1.762 -1.593 5.593 200 HD21 LEU 30 HD21 LEU 30 -0.025 -3.595 3.006 201 HD22 LEU 30 HD22 LEU 30 -1.272 -3.077 4.165 202 HD23 LEU 30 HD23 LEU 30 -0.720 -4.752 4.157 203 H LEU 31 H LEU 31 3.062 -7.347 6.603 204 HA LEU 31 HA LEU 31 5.733 -7.055 5.510 205 HB2 LEU 31 HB2 LEU 31 5.298 -7.504 7.794 206 HB3 LEU 31 HB3 LEU 31 4.709 -9.133 7.418 207 HG LEU 31 HG LEU 31 7.439 -8.248 6.443 208 HD11 LEU 31 HD11 LEU 31 6.872 -9.168 9.274 209 HD12 LEU 31 HD12 LEU 31 7.404 -7.539 8.761 210 HD13 LEU 31 HD13 LEU 31 8.469 -8.939 8.528 211 HD21 LEU 31 HD21 LEU 31 8.023 -10.622 6.919 212 HD22 LEU 31 HD22 LEU 31 6.694 -10.491 5.776 213 HD23 LEU 31 HD23 LEU 31 6.353 -10.903 7.461 214 H GLY 32 H GLY 32 6.837 -8.174 4.136 215 HA2 GLY 32 HA2 GLY 32 7.411 -9.801 2.547 216 HA3 GLY 32 HA3 GLY 32 6.035 -10.757 3.062 217 H VAL 33 H VAL 33 4.377 -8.059 2.329 218 HA VAL 33 HA VAL 33 3.348 -9.185 -0.004 219 HB VAL 33 HB VAL 33 2.261 -7.518 1.553 220 HG11 VAL 33 HG11 VAL 33 3.343 -5.413 -0.365 221 HG12 VAL 33 HG12 VAL 33 2.269 -5.185 1.027 222 HG13 VAL 33 HG13 VAL 33 3.950 -5.661 1.289 223 HG21 VAL 33 HG21 VAL 33 1.142 -8.416 -0.417 224 HG22 VAL 33 HG22 VAL 33 0.720 -6.716 -0.183 225 HG23 VAL 33 HG23 VAL 33 1.882 -7.174 -1.445 226 H THR 34 H THR 34 5.862 -6.723 0.197 227 HA THR 34 HA THR 34 6.075 -6.104 -2.595 228 HB THR 34 HB THR 34 6.928 -4.756 -0.622 229 HG1 THR 34 HG1 THR 34 8.607 -3.949 -1.778 230 HG21 THR 34 HG21 THR 34 9.375 -6.557 -0.798 231 HG22 THR 34 HG22 THR 34 8.208 -6.555 0.549 232 HG23 THR 34 HG23 THR 34 9.152 -5.103 0.191 233 H ARG 35 H ARG 35 7.101 -8.882 -0.872 234 HA ARG 35 HA ARG 35 8.967 -9.831 -2.989 235 HB2 ARG 35 HB2 ARG 35 9.868 -9.981 -0.787 236 HB3 ARG 35 HB3 ARG 35 8.388 -10.665 -0.135 237 HG2 ARG 35 HG2 ARG 35 10.072 -12.365 -0.244 238 HG3 ARG 35 HG3 ARG 35 8.758 -12.768 -1.341 239 HD2 ARG 35 HD2 ARG 35 10.152 -11.928 -3.258 240 HD3 ARG 35 HD3 ARG 35 11.465 -11.592 -2.114 241 HE ARG 35 HE ARG 35 10.610 -14.284 -1.787 242 HH11 ARG 35 HH11 ARG 35 12.374 -12.308 -4.175 243 HH12 ARG 35 HH12 ARG 35 13.272 -13.677 -4.794 244 HH21 ARG 35 HH21 ARG 35 11.792 -16.023 -2.617 245 HH22 ARG 35 HH22 ARG 35 12.943 -15.780 -3.912 246 H GLN 36 H GLN 36 5.909 -10.590 -1.375 247 HA GLN 36 HA GLN 36 5.427 -13.102 -2.706 248 HB2 GLN 36 HB2 GLN 36 3.712 -11.201 -1.076 249 HB3 GLN 36 HB3 GLN 36 3.140 -12.775 -1.622 250 HG2 GLN 36 HG2 GLN 36 4.693 -13.970 -0.268 251 HG3 GLN 36 HG3 GLN 36 5.664 -12.543 0.061 252 HE21 GLN 36 HE21 GLN 36 5.068 -13.846 2.308 253 HE22 GLN 36 HE22 GLN 36 3.796 -12.996 3.165 254 H ARG 37 H ARG 37 4.301 -9.762 -3.407 255 HA ARG 37 HA ARG 37 3.141 -10.739 -5.950 256 HB2 ARG 37 HB2 ARG 37 1.578 -9.343 -3.786 257 HB3 ARG 37 HB3 ARG 37 1.170 -9.087 -5.489 258 HG2 ARG 37 HG2 ARG 37 1.199 -11.625 -5.786 259 HG3 ARG 37 HG3 ARG 37 1.225 -11.758 -4.025 260 HD2 ARG 37 HD2 ARG 37 -0.927 -10.245 -5.572 261 HD3 ARG 37 HD3 ARG 37 -1.012 -11.973 -5.242 262 HE ARG 37 HE ARG 37 -1.414 -11.615 -3.007 263 HH11 ARG 37 HH11 ARG 37 -0.709 -8.473 -4.541 264 HH12 ARG 37 HH12 ARG 37 -1.380 -7.561 -3.208 265 HH21 ARG 37 HH21 ARG 37 -2.276 -10.412 -1.324 266 HH22 ARG 37 HH22 ARG 37 -2.276 -8.664 -1.386 267 H ASP 38 H ASP 38 2.347 -8.883 -7.319 268 HA ASP 38 HA ASP 38 4.788 -7.957 -8.315 269 HB2 ASP 38 HB2 ASP 38 1.927 -7.308 -9.074 270 HB3 ASP 38 HB3 ASP 38 3.324 -6.737 -9.993 271 H ALA 39 H ALA 39 6.079 -6.334 -7.979 272 HA ALA 39 HA ALA 39 5.532 -4.454 -5.922 273 HB1 ALA 39 HB1 ALA 39 7.856 -4.667 -7.879 274 HB2 ALA 39 HB2 ALA 39 7.840 -3.695 -6.394 275 HB3 ALA 39 HB3 ALA 39 7.725 -5.461 -6.292 276 H ASN 40 H ASN 40 5.973 -3.856 -9.482 277 HA ASN 40 HA ASN 40 5.607 -1.019 -9.272 278 HB2 ASN 40 HB2 ASN 40 5.025 -2.928 -11.576 279 HB3 ASN 40 HB3 ASN 40 4.971 -1.182 -11.716 280 HD21 ASN 40 HD21 ASN 40 6.603 -2.645 -13.389 281 HD22 ASN 40 HD22 ASN 40 8.265 -2.325 -12.942 282 H TRP 41 H TRP 41 3.234 -3.651 -9.557 283 HA TRP 41 HA TRP 41 0.897 -1.993 -9.810 284 HB2 TRP 41 HB2 TRP 41 0.980 -4.371 -10.442 285 HB3 TRP 41 HB3 TRP 41 1.238 -4.829 -8.760 286 HD1 TRP 41 HD1 TRP 41 -1.439 -3.735 -11.183 287 HE1 TRP 41 HE1 TRP 41 -3.742 -3.804 -10.118 288 HE3 TRP 41 HE3 TRP 41 -0.017 -4.780 -6.387 289 HZ2 TRP 41 HZ2 TRP 41 -4.804 -3.969 -7.390 290 HZ3 TRP 41 HZ3 TRP 41 -1.699 -4.790 -4.545 291 HH2 TRP 41 HH2 TRP 41 -4.082 -4.321 -5.043 292 H LEU 42 H LEU 42 2.455 -3.508 -6.917 293 HA LEU 42 HA LEU 42 0.669 -2.467 -4.970 294 HB2 LEU 42 HB2 LEU 42 3.613 -3.229 -4.917 295 HB3 LEU 42 HB3 LEU 42 2.801 -2.661 -3.467 296 HG LEU 42 HG LEU 42 1.735 -5.039 -5.035 297 HD11 LEU 42 HD11 LEU 42 4.052 -5.536 -4.401 298 HD12 LEU 42 HD12 LEU 42 2.919 -6.478 -3.441 299 HD13 LEU 42 HD13 LEU 42 3.716 -5.053 -2.722 300 HD21 LEU 42 HD21 LEU 42 1.445 -4.213 -2.114 301 HD22 LEU 42 HD22 LEU 42 0.666 -5.595 -2.910 302 HD23 LEU 42 HD23 LEU 42 0.215 -3.952 -3.368 303 H VAL 43 H VAL 43 3.577 -0.931 -6.389 304 HA VAL 43 HA VAL 43 3.338 1.498 -4.809 305 HB VAL 43 HB VAL 43 4.804 0.975 -7.420 306 HG11 VAL 43 HG11 VAL 43 4.428 3.394 -7.171 307 HG12 VAL 43 HG12 VAL 43 4.987 3.329 -5.480 308 HG13 VAL 43 HG13 VAL 43 6.112 3.011 -6.821 309 HG21 VAL 43 HG21 VAL 43 5.678 -0.362 -5.519 310 HG22 VAL 43 HG22 VAL 43 6.802 0.942 -5.888 311 HG23 VAL 43 HG23 VAL 43 5.704 1.070 -4.498 312 H ARG 44 H ARG 44 1.952 0.561 -8.013 313 HA ARG 44 HA ARG 44 0.798 3.147 -8.500 314 HB2 ARG 44 HB2 ARG 44 1.086 1.220 -10.162 315 HB3 ARG 44 HB3 ARG 44 -0.407 0.544 -9.481 316 HG2 ARG 44 HG2 ARG 44 -1.535 2.763 -9.991 317 HG3 ARG 44 HG3 ARG 44 -0.032 3.312 -10.728 318 HD2 ARG 44 HD2 ARG 44 -0.179 1.542 -12.431 319 HD3 ARG 44 HD3 ARG 44 -1.611 0.870 -11.634 320 HE ARG 44 HE ARG 44 -2.932 2.478 -12.581 321 HH11 ARG 44 HH11 ARG 44 0.449 3.547 -12.988 322 HH12 ARG 44 HH12 ARG 44 0.003 4.894 -14.011 323 HH21 ARG 44 HH21 ARG 44 -3.458 4.222 -13.892 324 HH22 ARG 44 HH22 ARG 44 -2.216 5.276 -14.525 325 H TRP 45 H TRP 45 -0.548 0.229 -6.868 326 HA TRP 45 HA TRP 45 -3.064 1.378 -6.174 327 HB2 TRP 45 HB2 TRP 45 -2.503 -1.045 -6.018 328 HB3 TRP 45 HB3 TRP 45 -1.482 -0.709 -4.619 329 HD1 TRP 45 HD1 TRP 45 -2.684 -0.626 -2.310 330 HE1 TRP 45 HE1 TRP 45 -5.184 -0.631 -1.501 331 HE3 TRP 45 HE3 TRP 45 -5.063 -0.103 -6.810 332 HZ2 TRP 45 HZ2 TRP 45 -7.761 -0.356 -2.636 333 HZ3 TRP 45 HZ3 TRP 45 -7.531 0.191 -6.897 334 HH2 TRP 45 HH2 TRP 45 -8.887 0.040 -4.832 335 H LEU 46 H LEU 46 0.056 1.519 -4.415 336 HA LEU 46 HA LEU 46 -1.124 3.006 -2.247 337 HB2 LEU 46 HB2 LEU 46 0.840 1.496 -2.168 338 HB3 LEU 46 HB3 LEU 46 1.790 2.690 -3.044 339 HG LEU 46 HG LEU 46 1.839 4.178 -1.186 340 HD11 LEU 46 HD11 LEU 46 -0.332 2.475 0.123 341 HD12 LEU 46 HD12 LEU 46 -0.488 4.166 -0.400 342 HD13 LEU 46 HD13 LEU 46 0.585 3.773 0.932 343 HD21 LEU 46 HD21 LEU 46 3.169 2.058 -1.006 344 HD22 LEU 46 HD22 LEU 46 1.841 1.332 -0.086 345 HD23 LEU 46 HD23 LEU 46 2.748 2.733 0.575 346 H LYS 47 H LYS 47 0.045 4.020 -5.373 347 HA LYS 47 HA LYS 47 0.132 6.881 -4.644 348 HB2 LYS 47 HB2 LYS 47 0.449 5.361 -7.252 349 HB3 LYS 47 HB3 LYS 47 0.324 7.123 -7.191 350 HG2 LYS 47 HG2 LYS 47 2.269 7.287 -5.729 351 HG3 LYS 47 HG3 LYS 47 2.429 5.523 -5.668 352 HD2 LYS 47 HD2 LYS 47 2.859 5.453 -8.102 353 HD3 LYS 47 HD3 LYS 47 2.595 7.208 -8.203 354 HE2 LYS 47 HE2 LYS 47 4.476 7.502 -6.530 355 HE3 LYS 47 HE3 LYS 47 4.822 5.774 -6.685 356 HZ1 LYS 47 HZ1 LYS 47 6.195 7.155 -8.110 357 HZ2 LYS 47 HZ2 LYS 47 4.868 7.728 -8.921 358 HZ3 LYS 47 HZ3 LYS 47 5.298 6.127 -9.018 359 H VAL 48 H VAL 48 -2.081 4.875 -6.675 360 HA VAL 48 HA VAL 48 -4.091 7.076 -6.469 361 HB VAL 48 HB VAL 48 -2.489 7.322 -8.363 362 HG11 VAL 48 HG11 VAL 48 -3.989 5.085 -9.777 363 HG12 VAL 48 HG12 VAL 48 -2.689 6.113 -10.393 364 HG13 VAL 48 HG13 VAL 48 -2.357 4.947 -9.103 365 HG21 VAL 48 HG21 VAL 48 -4.451 8.603 -8.304 366 HG22 VAL 48 HG22 VAL 48 -4.286 7.994 -9.959 367 HG23 VAL 48 HG23 VAL 48 -5.458 7.255 -8.836 368 HA PRO 49 HA PRO 49 -5.831 2.701 -6.241 369 HB2 PRO 49 HB2 PRO 49 -7.011 2.689 -3.776 370 HB3 PRO 49 HB3 PRO 49 -5.278 2.383 -4.027 371 HG2 PRO 49 HG2 PRO 49 -6.625 4.990 -3.313 372 HG3 PRO 49 HG3 PRO 49 -5.210 4.238 -2.499 373 HD2 PRO 49 HD2 PRO 49 -4.954 6.213 -4.358 374 HD3 PRO 49 HD3 PRO 49 -3.783 4.875 -4.274 375 H ASP 50 H ASP 50 -7.368 5.827 -5.955 376 HA ASP 50 HA ASP 50 -10.113 4.819 -6.338 377 HB2 ASP 50 HB2 ASP 50 -8.824 7.556 -6.683 378 HB3 ASP 50 HB3 ASP 50 -10.517 7.227 -7.045 379 H GLN 51 H GLN 51 -7.593 6.272 -8.461 380 HA GLN 51 HA GLN 51 -9.176 6.146 -10.834 381 HB2 GLN 51 HB2 GLN 51 -7.112 7.585 -10.387 382 HB3 GLN 51 HB3 GLN 51 -6.151 6.126 -10.705 383 HG2 GLN 51 HG2 GLN 51 -7.330 6.022 -12.983 384 HG3 GLN 51 HG3 GLN 51 -7.985 7.621 -12.622 385 HE21 GLN 51 HE21 GLN 51 -5.256 5.844 -13.764 386 HE22 GLN 51 HE22 GLN 51 -4.145 7.205 -13.913 387 H MET 52 H MET 52 -6.844 3.801 -9.393 388 HA MET 52 HA MET 52 -6.750 2.031 -11.601 389 HB2 MET 52 HB2 MET 52 -6.291 1.844 -8.623 390 HB3 MET 52 HB3 MET 52 -6.284 0.358 -9.601 391 HG2 MET 52 HG2 MET 52 -4.545 1.341 -11.061 392 HG3 MET 52 HG3 MET 52 -4.586 2.828 -10.101 393 HE1 MET 52 HE1 MET 52 -4.575 -1.059 -9.246 394 HE2 MET 52 HE2 MET 52 -3.264 -0.802 -10.419 395 HE3 MET 52 HE3 MET 52 -2.879 -1.247 -8.740 396 H LEU 53 H LEU 53 -9.360 2.359 -9.172 397 HA LEU 53 HA LEU 53 -10.709 -0.059 -10.231 398 HB2 LEU 53 HB2 LEU 53 -11.669 2.114 -8.335 399 HB3 LEU 53 HB3 LEU 53 -12.606 0.698 -8.813 400 HG LEU 53 HG LEU 53 -9.964 0.611 -7.303 401 HD11 LEU 53 HD11 LEU 53 -12.813 0.108 -6.347 402 HD12 LEU 53 HD12 LEU 53 -11.819 1.536 -5.960 403 HD13 LEU 53 HD13 LEU 53 -11.338 -0.066 -5.376 404 HD21 LEU 53 HD21 LEU 53 -10.492 -1.757 -6.883 405 HD22 LEU 53 HD22 LEU 53 -10.276 -1.455 -8.606 406 HD23 LEU 53 HD23 LEU 53 -11.914 -1.636 -7.938 407 H ALA 54 H ALA 54 -10.988 3.491 -10.562 408 HA ALA 54 HA ALA 54 -13.223 3.452 -12.344 409 HB1 ALA 54 HB1 ALA 54 -11.042 5.544 -11.961 410 HB2 ALA 54 HB2 ALA 54 -12.665 5.797 -12.622 411 HB3 ALA 54 HB3 ALA 54 -12.477 5.353 -10.920 412 H GLU 55 H GLU 55 -9.825 2.951 -13.008 413 HA GLU 55 HA GLU 55 -10.202 3.078 -15.939 414 HB2 GLU 55 HB2 GLU 55 -7.893 3.174 -16.080 415 HB3 GLU 55 HB3 GLU 55 -8.275 4.099 -14.640 416 HG2 GLU 55 HG2 GLU 55 -7.700 1.902 -13.389 417 HG3 GLU 55 HG3 GLU 55 -7.047 1.326 -14.909 418 H LYS 56 H LYS 56 -10.824 0.834 -13.692 419 HA LYS 56 HA LYS 56 -10.681 -1.364 -13.301 420 HB2 LYS 56 HB2 LYS 56 -11.409 -1.431 -16.241 421 HB3 LYS 56 HB3 LYS 56 -11.378 -2.863 -15.197 422 HG2 LYS 56 HG2 LYS 56 -12.977 -1.770 -13.639 423 HG3 LYS 56 HG3 LYS 56 -13.058 -0.366 -14.717 424 HD2 LYS 56 HD2 LYS 56 -13.974 -1.770 -16.512 425 HD3 LYS 56 HD3 LYS 56 -13.784 -3.220 -15.525 426 HE2 LYS 56 HE2 LYS 56 -16.111 -2.461 -15.585 427 HE3 LYS 56 HE3 LYS 56 -15.467 -2.448 -13.942 428 HZ1 LYS 56 HZ1 LYS 56 -16.775 -0.422 -14.625 429 HZ2 LYS 56 HZ2 LYS 56 -15.528 -0.005 -15.625 430 HZ3 LYS 56 HZ3 LYS 56 -15.299 -0.107 -14.001 431 H ASP 57 H ASP 57 -8.578 -1.121 -12.670 432 HA ASP 57 HA ASP 57 -6.561 -2.764 -14.115 433 HB2 ASP 57 HB2 ASP 57 -5.877 -0.712 -12.802 434 HB3 ASP 57 HB3 ASP 57 -6.463 -1.508 -11.338 435 HA PRO 58 HA PRO 58 -9.617 -5.575 -12.577 436 HB2 PRO 58 HB2 PRO 58 -8.828 -7.892 -13.790 437 HB3 PRO 58 HB3 PRO 58 -9.470 -6.448 -14.646 438 HG2 PRO 58 HG2 PRO 58 -6.515 -7.052 -14.224 439 HG3 PRO 58 HG3 PRO 58 -7.383 -6.865 -15.799 440 HD2 PRO 58 HD2 PRO 58 -6.158 -4.806 -14.628 441 HD3 PRO 58 HD3 PRO 58 -7.801 -4.579 -15.309 442 H LEU 59 H LEU 59 -6.209 -6.202 -12.034 443 HA LEU 59 HA LEU 59 -6.518 -8.166 -9.927 444 HB2 LEU 59 HB2 LEU 59 -4.410 -7.841 -11.116 445 HB3 LEU 59 HB3 LEU 59 -4.281 -6.191 -10.509 446 HG LEU 59 HG LEU 59 -3.977 -7.006 -8.216 447 HD11 LEU 59 HD11 LEU 59 -4.208 -9.801 -9.419 448 HD12 LEU 59 HD12 LEU 59 -5.302 -9.070 -8.219 449 HD13 LEU 59 HD13 LEU 59 -3.633 -9.434 -7.777 450 HD21 LEU 59 HD21 LEU 59 -2.182 -8.501 -10.176 451 HD22 LEU 59 HD22 LEU 59 -1.783 -8.048 -8.504 452 HD23 LEU 59 HD23 LEU 59 -2.012 -6.793 -9.727 453 H ALA 60 H ALA 60 -6.630 -4.567 -9.920 454 HA ALA 60 HA ALA 60 -6.952 -4.426 -7.011 455 HB1 ALA 60 HB1 ALA 60 -6.119 -2.496 -8.330 456 HB2 ALA 60 HB2 ALA 60 -7.695 -2.396 -9.150 457 HB3 ALA 60 HB3 ALA 60 -7.594 -2.153 -7.397 458 H MET 61 H MET 61 -9.177 -4.378 -9.818 459 HA MET 61 HA MET 61 -11.637 -4.063 -8.488 460 HB2 MET 61 HB2 MET 61 -11.049 -5.894 -10.852 461 HB3 MET 61 HB3 MET 61 -12.629 -5.303 -10.388 462 HG2 MET 61 HG2 MET 61 -10.315 -3.547 -11.292 463 HG3 MET 61 HG3 MET 61 -11.627 -4.091 -12.316 464 HE1 MET 61 HE1 MET 61 -14.226 -3.704 -10.385 465 HE2 MET 61 HE2 MET 61 -14.678 -2.178 -11.179 466 HE3 MET 61 HE3 MET 61 -13.949 -3.513 -12.131 467 H LEU 62 H LEU 62 -9.648 -6.970 -8.731 468 HA LEU 62 HA LEU 62 -11.458 -8.733 -7.303 469 HB2 LEU 62 HB2 LEU 62 -9.825 -9.378 -9.092 470 HB3 LEU 62 HB3 LEU 62 -8.518 -8.829 -8.033 471 HG LEU 62 HG LEU 62 -9.198 -10.556 -6.365 472 HD11 LEU 62 HD11 LEU 62 -11.059 -11.435 -8.620 473 HD12 LEU 62 HD12 LEU 62 -11.532 -10.975 -6.971 474 HD13 LEU 62 HD13 LEU 62 -10.626 -12.466 -7.250 475 HD21 LEU 62 HD21 LEU 62 -7.378 -10.937 -7.974 476 HD22 LEU 62 HD22 LEU 62 -8.547 -11.571 -9.153 477 HD23 LEU 62 HD23 LEU 62 -8.245 -12.445 -7.628 478 H LEU 63 H LEU 63 -8.272 -7.063 -6.494 479 HA LEU 63 HA LEU 63 -8.140 -8.467 -4.002 480 HB2 LEU 63 HB2 LEU 63 -6.252 -7.799 -5.357 481 HB3 LEU 63 HB3 LEU 63 -6.605 -6.091 -5.136 482 HG LEU 63 HG LEU 63 -6.087 -7.843 -2.706 483 HD11 LEU 63 HD11 LEU 63 -3.664 -7.252 -2.983 484 HD12 LEU 63 HD12 LEU 63 -4.035 -6.699 -4.632 485 HD13 LEU 63 HD13 LEU 63 -4.279 -8.398 -4.191 486 HD21 LEU 63 HD21 LEU 63 -6.747 -5.487 -2.281 487 HD22 LEU 63 HD22 LEU 63 -5.490 -4.921 -3.382 488 HD23 LEU 63 HD23 LEU 63 -5.050 -5.730 -1.859 489 H PHE 64 H PHE 64 -9.350 -5.281 -4.896 490 HA PHE 64 HA PHE 64 -9.574 -4.354 -2.136 491 HB2 PHE 64 HB2 PHE 64 -10.073 -2.395 -3.017 492 HB3 PHE 64 HB3 PHE 64 -9.705 -3.072 -4.579 493 HD1 PHE 64 HD1 PHE 64 -11.699 -4.060 -5.972 494 HD2 PHE 64 HD2 PHE 64 -12.225 -1.639 -2.454 495 HE1 PHE 64 HE1 PHE 64 -14.066 -3.677 -6.595 496 HE2 PHE 64 HE2 PHE 64 -14.587 -1.214 -3.103 497 HZ PHE 64 HZ PHE 64 -15.521 -2.277 -5.144 498 H GLU 65 H GLU 65 -11.808 -5.960 -4.402 499 HA GLU 65 HA GLU 65 -14.122 -6.074 -2.762 500 HB2 GLU 65 HB2 GLU 65 -14.348 -6.353 -5.070 501 HB3 GLU 65 HB3 GLU 65 -12.980 -7.435 -5.185 502 HG2 GLU 65 HG2 GLU 65 -14.876 -8.689 -5.667 503 HG3 GLU 65 HG3 GLU 65 -14.233 -9.233 -4.127 504 H GLN 66 H GLN 66 -11.353 -8.342 -3.126 505 HA GLN 66 HA GLN 66 -12.446 -10.135 -1.161 506 HB2 GLN 66 HB2 GLN 66 -9.656 -9.908 -2.385 507 HB3 GLN 66 HB3 GLN 66 -10.148 -11.212 -1.297 508 HG2 GLN 66 HG2 GLN 66 -11.926 -11.889 -2.900 509 HG3 GLN 66 HG3 GLN 66 -11.394 -10.657 -4.029 510 HE21 GLN 66 HE21 GLN 66 -11.389 -13.248 -4.997 511 HE22 GLN 66 HE22 GLN 66 -9.750 -13.871 -5.027 512 H TYR 67 H TYR 67 -10.489 -7.282 -0.744 513 HA TYR 67 HA TYR 67 -10.274 -7.889 2.164 514 HB2 TYR 67 HB2 TYR 67 -8.939 -5.850 0.414 515 HB3 TYR 67 HB3 TYR 67 -9.055 -5.640 2.157 516 HD1 TYR 67 HD2 TYR 67 -8.216 -7.427 3.737 517 HD2 TYR 67 HD1 TYR 67 -7.124 -7.244 -0.431 518 HE1 TYR 67 HE2 TYR 67 -6.127 -8.696 4.224 519 HE2 TYR 67 HE1 TYR 67 -5.025 -8.500 0.064 520 HH TYR 67 HH TYR 67 -3.722 -9.515 1.720 521 H ASN 68 H ASN 68 -12.806 -7.831 1.377 522 HA ASN 68 HA ASN 68 -14.838 -7.071 1.916 523 HB2 ASN 68 HB2 ASN 68 -13.631 -7.316 4.128 524 HB3 ASN 68 HB3 ASN 68 -13.439 -5.570 4.136 525 HD21 ASN 68 HD21 ASN 68 -14.822 -4.842 5.680 526 HD22 ASN 68 HD22 ASN 68 -16.518 -5.300 5.776 527 H ARG 69 H ARG 69 -13.450 -5.433 -0.048 528 HA ARG 69 HA ARG 69 -13.565 -3.472 -1.167 529 HB2 ARG 69 HB2 ARG 69 -15.857 -2.919 -1.925 530 HB3 ARG 69 HB3 ARG 69 -15.380 -4.589 -2.047 531 HG2 ARG 69 HG2 ARG 69 -16.732 -5.182 -0.083 532 HG3 ARG 69 HG3 ARG 69 -17.222 -3.479 0.104 533 HD2 ARG 69 HD2 ARG 69 -18.335 -3.522 -2.067 534 HD3 ARG 69 HD3 ARG 69 -17.647 -5.104 -2.442 535 HE ARG 69 HE ARG 69 -19.158 -6.177 -1.062 536 HH11 ARG 69 HH11 ARG 69 -19.672 -2.654 -0.786 537 HH12 ARG 69 HH12 ARG 69 -21.243 -2.848 -0.040 538 HH21 ARG 69 HH21 ARG 69 -21.182 -6.372 -0.109 539 HH22 ARG 69 HH22 ARG 69 -22.097 -4.952 0.344 540 H LEU 70 H LEU 70 -12.965 -2.751 1.546 541 HA LEU 70 HA LEU 70 -14.307 -0.355 2.304 542 HB2 LEU 70 HB2 LEU 70 -12.834 -1.659 3.715 543 HB3 LEU 70 HB3 LEU 70 -11.440 -1.269 2.720 544 HG LEU 70 HG LEU 70 -13.015 0.945 4.094 545 HD11 LEU 70 HD11 LEU 70 -10.849 -0.760 5.338 546 HD12 LEU 70 HD12 LEU 70 -12.543 -0.684 5.831 547 HD13 LEU 70 HD13 LEU 70 -11.524 0.739 6.034 548 HD21 LEU 70 HD21 LEU 70 -10.065 0.635 3.324 549 HD22 LEU 70 HD22 LEU 70 -10.750 2.011 4.224 550 HD23 LEU 70 HD23 LEU 70 -11.233 1.727 2.562 551 H ALA 71 H ALA 71 -11.625 -0.818 0.014 552 HA ALA 71 HA ALA 71 -10.724 0.428 -1.611 553 HB1 ALA 71 HB1 ALA 71 -12.143 1.886 -2.903 554 HB2 ALA 71 HB2 ALA 71 -13.100 0.492 -2.386 555 HB3 ALA 71 HB3 ALA 71 -13.297 2.045 -1.568 556 H MET 72 H MET 72 -9.070 1.107 -0.044 557 HA MET 72 HA MET 72 -9.272 3.607 1.281 558 HB2 MET 72 HB2 MET 72 -7.103 3.408 1.934 559 HB3 MET 72 HB3 MET 72 -7.557 1.732 1.668 560 HG2 MET 72 HG2 MET 72 -6.397 1.882 -0.591 561 HG3 MET 72 HG3 MET 72 -5.880 3.509 -0.146 562 HE1 MET 72 HE1 MET 72 -2.504 1.594 0.140 563 HE2 MET 72 HE2 MET 72 -3.786 1.517 -1.089 564 HE3 MET 72 HE3 MET 72 -3.299 3.086 -0.413 565 HA PRO 73 HA PRO 73 -9.055 6.325 -2.168 566 HB2 PRO 73 HB2 PRO 73 -8.923 8.742 -0.974 567 HB3 PRO 73 HB3 PRO 73 -10.273 7.612 -0.642 568 HG2 PRO 73 HG2 PRO 73 -7.754 8.010 1.011 569 HG3 PRO 73 HG3 PRO 73 -9.457 8.065 1.572 570 HD2 PRO 73 HD2 PRO 73 -7.931 5.791 1.730 571 HD3 PRO 73 HD3 PRO 73 -9.695 5.747 1.419 572 H ASN 74 H ASN 74 -7.785 8.132 -3.224 573 HA ASN 74 HA ASN 74 -4.867 8.095 -2.771 574 HB2 ASN 74 HB2 ASN 74 -5.806 8.771 -4.969 575 HB3 ASN 74 HB3 ASN 74 -6.630 10.129 -4.193 576 HD21 ASN 74 HD21 ASN 74 -5.166 10.955 -6.168 577 HD22 ASN 74 HD22 ASN 74 -3.618 11.624 -5.611 578 H MET 75 H MET 75 -4.284 8.535 -0.768 579 HA MET 75 HA MET 75 -5.902 9.986 1.091 580 HB2 MET 75 HB2 MET 75 -3.130 8.766 1.262 581 HB3 MET 75 HB3 MET 75 -3.925 9.527 2.641 582 HG2 MET 75 HG2 MET 75 -5.571 7.917 2.811 583 HG3 MET 75 HG3 MET 75 -5.433 7.404 1.138 584 HE1 MET 75 HE1 MET 75 -3.968 5.571 0.208 585 HE2 MET 75 HE2 MET 75 -2.575 6.645 0.463 586 HE3 MET 75 HE3 MET 75 -2.503 4.955 1.004 587 H ARG 76 H ARG 76 -2.462 10.715 0.556 588 HA ARG 76 HA ARG 76 -2.795 13.567 0.246 589 HB2 ARG 76 HB2 ARG 76 -1.953 14.291 2.445 590 HB3 ARG 76 HB3 ARG 76 -3.498 13.477 2.576 591 HG2 ARG 76 HG2 ARG 76 -2.470 11.445 3.421 592 HG3 ARG 76 HG3 ARG 76 -0.841 12.071 3.132 593 HD2 ARG 76 HD2 ARG 76 -2.839 13.417 4.995 594 HD3 ARG 76 HD3 ARG 76 -1.684 12.188 5.532 595 HE ARG 76 HE ARG 76 -0.132 14.038 4.185 596 HH11 ARG 76 HH11 ARG 76 -2.309 14.200 7.004 597 HH12 ARG 76 HH12 ARG 76 -1.414 15.504 7.750 598 HH21 ARG 76 HH21 ARG 76 0.996 15.724 5.185 599 HH22 ARG 76 HH22 ARG 76 0.457 16.368 6.719 600 H LEU 77 H LEU 77 -0.962 11.003 -0.416 601 HA LEU 77 HA LEU 77 1.532 11.662 0.887 602 HB2 LEU 77 HB2 LEU 77 1.010 9.576 -1.244 603 HB3 LEU 77 HB3 LEU 77 2.371 9.628 -0.124 604 HG LEU 77 HG LEU 77 -0.540 9.167 0.666 605 HD11 LEU 77 HD11 LEU 77 1.785 7.212 0.582 606 HD12 LEU 77 HD12 LEU 77 0.521 7.336 -0.664 607 HD13 LEU 77 HD13 LEU 77 0.081 6.869 0.973 608 HD21 LEU 77 HD21 LEU 77 0.818 10.234 2.482 609 HD22 LEU 77 HD22 LEU 77 1.959 8.877 2.376 610 HD23 LEU 77 HD23 LEU 77 0.269 8.606 2.862 611 H GLY 78 H GLY 78 3.421 12.410 0.119 612 HA2 GLY 78 HA2 GLY 78 3.614 13.506 -2.645 613 HA3 GLY 78 HA3 GLY 78 4.782 13.712 -1.347 614 H ASP 79 H ASP 79 5.452 12.942 -4.027 615 HA ASP 79 HA ASP 79 5.767 10.184 -4.448 616 HB2 ASP 79 HB2 ASP 79 6.138 12.254 -5.998 617 HB3 ASP 79 HB3 ASP 79 7.792 12.244 -5.390 618 H ALA 80 H ALA 80 7.952 12.405 -2.681 619 HA ALA 80 HA ALA 80 10.015 10.424 -2.231 620 HB1 ALA 80 HB1 ALA 80 10.965 12.107 -0.776 621 HB2 ALA 80 HB2 ALA 80 10.408 12.873 -2.267 622 HB3 ALA 80 HB3 ALA 80 9.457 13.036 -0.772 623 H GLU 81 H GLU 81 7.050 11.351 -0.468 624 HA GLU 81 HA GLU 81 7.619 9.944 1.979 625 HB2 GLU 81 HB2 GLU 81 6.232 11.840 1.983 626 HB3 GLU 81 HB3 GLU 81 5.282 11.306 0.614 627 HG2 GLU 81 HG2 GLU 81 4.139 9.704 1.874 628 HG3 GLU 81 HG3 GLU 81 5.250 9.873 3.250 629 H VAL 82 H VAL 82 5.761 9.166 -1.019 630 HA VAL 82 HA VAL 82 5.202 6.415 -0.335 631 HB VAL 82 HB VAL 82 5.655 7.705 -3.059 632 HG11 VAL 82 HG11 VAL 82 4.436 5.754 -3.988 633 HG12 VAL 82 HG12 VAL 82 5.954 5.253 -3.251 634 HG13 VAL 82 HG13 VAL 82 4.419 4.990 -2.390 635 HG21 VAL 82 HG21 VAL 82 3.193 7.649 -3.228 636 HG22 VAL 82 HG22 VAL 82 3.081 6.961 -1.595 637 HG23 VAL 82 HG23 VAL 82 3.690 8.610 -1.837 638 H SER 83 H SER 83 8.033 7.914 -2.003 639 HA SER 83 HA SER 83 9.487 5.517 -2.415 640 HB2 SER 83 HB2 SER 83 10.626 8.283 -1.881 641 HB3 SER 83 HB3 SER 83 11.476 6.925 -2.623 642 HG SER 83 HG SER 83 9.161 8.245 -3.652 643 H ALA 84 H ALA 84 9.251 7.432 0.578 644 HA ALA 84 HA ALA 84 11.309 5.909 1.985 645 HB1 ALA 84 HB1 ALA 84 10.475 7.166 3.936 646 HB2 ALA 84 HB2 ALA 84 10.786 8.238 2.566 647 HB3 ALA 84 HB3 ALA 84 9.118 7.788 2.973 648 H LEU 85 H LEU 85 7.700 5.828 1.922 649 HA LEU 85 HA LEU 85 7.419 3.684 3.824 650 HB2 LEU 85 HB2 LEU 85 5.660 4.797 1.606 651 HB3 LEU 85 HB3 LEU 85 5.111 3.515 2.678 652 HG LEU 85 HG LEU 85 6.088 6.202 3.751 653 HD11 LEU 85 HD11 LEU 85 4.182 6.599 2.253 654 HD12 LEU 85 HD12 LEU 85 3.709 6.823 3.942 655 HD13 LEU 85 HD13 LEU 85 3.245 5.336 3.089 656 HD21 LEU 85 HD21 LEU 85 4.327 4.015 4.949 657 HD22 LEU 85 HD22 LEU 85 4.750 5.551 5.722 658 HD23 LEU 85 HD23 LEU 85 6.011 4.360 5.405 659 H ILE 86 H ILE 86 7.979 3.665 0.372 660 HA ILE 86 HA ILE 86 7.589 0.838 -0.177 661 HB ILE 86 HB ILE 86 8.694 3.226 -1.564 662 HG12 ILE 86 HG12 ILE 86 7.340 2.447 -3.377 663 HG13 ILE 86 HG13 ILE 86 7.184 0.836 -2.672 664 HG21 ILE 86 HG21 ILE 86 10.640 1.805 -1.921 665 HG22 ILE 86 HG22 ILE 86 9.590 0.455 -2.427 666 HG23 ILE 86 HG23 ILE 86 9.699 1.932 -3.401 667 HD11 ILE 86 HD11 ILE 86 5.102 2.183 -2.536 668 HD12 ILE 86 HD12 ILE 86 5.675 1.666 -0.945 669 HD13 ILE 86 HD13 ILE 86 5.926 3.338 -1.482 670 H SER 87 H SER 87 10.405 2.807 0.829 671 HA SER 87 HA SER 87 12.217 0.570 0.965 672 HB2 SER 87 HB2 SER 87 12.701 3.141 0.873 673 HB3 SER 87 HB3 SER 87 12.576 3.060 2.641 674 HG SER 87 HG SER 87 14.293 1.628 2.676 675 H TYR 88 H TYR 88 9.961 2.038 3.390 676 HA TYR 88 HA TYR 88 11.000 0.406 5.552 677 HB2 TYR 88 HB2 TYR 88 9.699 2.377 6.002 678 HB3 TYR 88 HB3 TYR 88 8.270 1.690 5.227 679 HD1 TYR 88 HD2 TYR 88 10.764 0.454 7.810 680 HD2 TYR 88 HD1 TYR 88 6.623 1.228 6.870 681 HE1 TYR 88 HE2 TYR 88 10.092 -0.464 10.002 682 HE2 TYR 88 HE1 TYR 88 5.961 0.298 9.089 683 HH TYR 88 HH TYR 88 6.669 -0.653 11.042 684 H LEU 89 H LEU 89 8.321 -0.205 3.234 685 HA LEU 89 HA LEU 89 7.671 -2.777 4.357 686 HB2 LEU 89 HB2 LEU 89 6.992 -1.257 1.859 687 HB3 LEU 89 HB3 LEU 89 6.816 -3.006 1.800 688 HG LEU 89 HG LEU 89 5.331 -3.007 3.744 689 HD11 LEU 89 HD11 LEU 89 6.085 -1.003 4.962 690 HD12 LEU 89 HD12 LEU 89 4.358 -0.912 4.615 691 HD13 LEU 89 HD13 LEU 89 5.509 0.034 3.641 692 HD21 LEU 89 HD21 LEU 89 3.399 -1.946 2.652 693 HD22 LEU 89 HD22 LEU 89 4.398 -2.810 1.476 694 HD23 LEU 89 HD23 LEU 89 4.490 -1.036 1.578 695 H GLU 90 H GLU 90 10.201 -1.888 2.016 696 HA GLU 90 HA GLU 90 10.891 -4.682 1.503 697 HB2 GLU 90 HB2 GLU 90 11.385 -2.694 -0.038 698 HB3 GLU 90 HB3 GLU 90 12.711 -2.291 1.065 699 HG2 GLU 90 HG2 GLU 90 13.566 -4.658 0.752 700 HG3 GLU 90 HG3 GLU 90 12.285 -4.920 -0.433 701 H GLU 91 H GLU 91 12.323 -2.135 3.602 702 HA GLU 91 HA GLU 91 14.480 -3.781 4.538 703 HB2 GLU 91 HB2 GLU 91 13.257 -1.194 5.578 704 HB3 GLU 91 HB3 GLU 91 14.684 -1.950 6.283 705 HG2 GLU 91 HG2 GLU 91 15.951 -1.698 4.232 706 HG3 GLU 91 HG3 GLU 91 14.541 -1.092 3.362 707 H GLU 92 H GLU 92 11.351 -2.891 6.169 708 HA GLU 92 HA GLU 92 11.990 -4.352 8.561 709 HB2 GLU 92 HB2 GLU 92 10.220 -2.515 8.210 710 HB3 GLU 92 HB3 GLU 92 9.216 -3.763 7.486 711 HG2 GLU 92 HG2 GLU 92 8.477 -3.626 9.695 712 HG3 GLU 92 HG3 GLU 92 9.467 -5.075 9.682 713 H THR 93 H THR 93 10.381 -5.289 5.532 714 HA THR 93 HA THR 93 9.661 -7.983 6.237 715 HB THR 93 HB THR 93 10.415 -6.726 3.573 716 HG1 THR 93 HG1 THR 93 8.531 -6.010 3.825 717 HG21 THR 93 HG21 THR 93 9.199 -9.465 4.083 718 HG22 THR 93 HG22 THR 93 10.773 -9.129 3.321 719 HG23 THR 93 HG23 THR 93 9.296 -8.640 2.502 720 H ALA 94 H ALA 94 12.736 -6.646 4.868 721 HA ALA 94 HA ALA 94 14.019 -9.204 4.699 722 HB1 ALA 94 HB1 ALA 94 14.712 -7.205 3.421 723 HB2 ALA 94 HB2 ALA 94 15.214 -6.405 4.925 724 HB3 ALA 94 HB3 ALA 94 16.047 -7.871 4.370 725 H ARG 95 H ARG 95 13.928 -6.761 7.324 726 HA ARG 95 HA ARG 95 15.761 -8.195 9.045 727 HB2 ARG 95 HB2 ARG 95 13.699 -6.053 9.646 728 HB3 ARG 95 HB3 ARG 95 14.833 -6.691 10.833 729 HG2 ARG 95 HG2 ARG 95 15.579 -5.145 8.313 730 HG3 ARG 95 HG3 ARG 95 15.584 -4.563 9.969 731 HD2 ARG 95 HD2 ARG 95 17.818 -4.994 9.623 732 HD3 ARG 95 HD3 ARG 95 17.294 -6.470 10.437 733 HE ARG 95 HE ARG 95 17.509 -6.223 7.451 734 HH11 ARG 95 HH11 ARG 95 18.378 -8.039 10.405 735 HH12 ARG 95 HH12 ARG 95 19.147 -9.323 9.500 736 HH21 ARG 95 HH21 ARG 95 18.510 -7.903 6.340 737 HH22 ARG 95 HH22 ARG 95 19.221 -9.246 7.207 738 H LEU 96 H LEU 96 12.199 -8.250 8.846 739 HA LEU 96 HA LEU 96 12.111 -10.183 11.094 740 HB2 LEU 96 HB2 LEU 96 10.119 -8.287 9.874 741 HB3 LEU 96 HB3 LEU 96 9.570 -9.600 10.833 742 HG LEU 96 HG LEU 96 9.613 -7.495 11.995 743 HD11 LEU 96 HD11 LEU 96 10.505 -8.420 14.049 744 HD12 LEU 96 HD12 LEU 96 11.445 -9.630 13.134 745 HD13 LEU 96 HD13 LEU 96 9.666 -9.667 13.107 746 HD21 LEU 96 HD21 LEU 96 11.695 -6.657 10.975 747 HD22 LEU 96 HD22 LEU 96 12.614 -7.815 11.979 748 HD23 LEU 96 HD23 LEU 96 11.668 -6.523 12.749 749 H GLN 97 H GLN 97 13.084 -11.224 8.574 750 HA GLN 97 HA GLN 97 11.088 -12.831 7.305 751 HB2 GLN 97 HB2 GLN 97 14.097 -13.151 7.656 752 HB3 GLN 97 HB3 GLN 97 13.130 -14.345 6.792 753 HG2 GLN 97 HG2 GLN 97 13.332 -11.409 6.028 754 HG3 GLN 97 HG3 GLN 97 14.181 -12.738 5.247 755 HE21 GLN 97 HE21 GLN 97 11.255 -10.927 5.272 756 HE22 GLN 97 HE22 GLN 97 10.340 -11.971 4.175 757 H THR 98 H THR 98 12.930 -13.465 10.309 758 HA THR 98 HA THR 98 10.903 -15.502 10.975 759 HB THR 98 HB THR 98 12.394 -16.963 9.997 760 HG1 THR 98 HG1 THR 98 12.975 -18.175 11.847 761 HG21 THR 98 HG21 THR 98 14.498 -15.704 9.937 762 HG22 THR 98 HG22 THR 98 14.715 -17.308 10.636 763 HG23 THR 98 HG23 THR 98 14.683 -15.891 11.694 764 HA PRO 99 HA PRO 99 11.659 -13.596 15.019 765 HB2 PRO 99 HB2 PRO 99 9.118 -12.866 15.588 766 HB3 PRO 99 HB3 PRO 99 10.158 -11.855 14.544 767 HG2 PRO 99 HG2 PRO 99 8.087 -13.904 13.674 768 HG3 PRO 99 HG3 PRO 99 8.250 -12.205 13.125 769 HD2 PRO 99 HD2 PRO 99 9.307 -14.332 11.749 770 HD3 PRO 99 HD3 PRO 99 10.088 -12.725 11.771 771 H VAL 100 H VAL 100 10.716 -16.325 13.582 772 HA VAL 100 HA VAL 100 8.759 -17.530 15.302 773 HB VAL 100 HB VAL 100 10.646 -18.766 13.254 774 HG11 VAL 100 HG11 VAL 100 9.605 -20.501 14.698 775 HG12 VAL 100 HG12 VAL 100 8.004 -19.828 14.307 776 HG13 VAL 100 HG13 VAL 100 9.000 -20.560 13.043 777 HG21 VAL 100 HG21 VAL 100 7.798 -17.711 12.937 778 HG22 VAL 100 HG22 VAL 100 9.261 -17.028 12.192 779 HG23 VAL 100 HG23 VAL 100 8.699 -18.621 11.707 780 H THR 101 H THR 101 8.988 -18.813 17.081 781 HA THR 101 HA THR 101 11.569 -20.183 17.622 782 HB THR 101 HB THR 101 10.261 -18.412 19.705 783 HG1 THR 101 HG1 THR 101 12.120 -17.979 17.801 784 HG21 THR 101 HG21 THR 101 12.846 -20.027 19.797 785 HG22 THR 101 HG22 THR 101 11.363 -20.409 20.703 786 HG23 THR 101 HG23 THR 101 12.255 -18.924 21.053 787 H ASN 102 H ASN 102 8.309 -19.629 19.088 788 HA ASN 102 HA ASN 102 7.673 -22.492 18.928 789 HB2 ASN 102 HB2 ASN 102 8.931 -22.606 20.972 790 HB3 ASN 102 HB3 ASN 102 8.281 -21.078 21.549 791 HD21 ASN 102 HD21 ASN 102 6.785 -21.306 23.151 792 HD22 ASN 102 HD22 ASN 102 5.716 -22.714 23.324 793 H ARG 103 H ARG 103 5.580 -22.643 18.463 794 HA ARG 103 HA ARG 103 3.628 -20.498 18.945 795 HB2 ARG 103 HB2 ARG 103 3.600 -21.997 16.954 796 HB3 ARG 103 HB3 ARG 103 3.186 -23.356 17.982 797 HG2 ARG 103 HG2 ARG 103 1.530 -20.801 17.661 798 HG3 ARG 103 HG3 ARG 103 1.272 -22.278 16.742 799 HD2 ARG 103 HD2 ARG 103 0.879 -21.954 19.740 800 HD3 ARG 103 HD3 ARG 103 -0.375 -22.094 18.511 801 HE ARG 103 HE ARG 103 1.049 -24.369 18.091 802 HH11 ARG 103 HH11 ARG 103 -0.368 -23.005 21.067 803 HH12 ARG 103 HH12 ARG 103 -0.594 -24.577 21.801 804 HH21 ARG 103 HH21 ARG 103 0.743 -26.378 19.080 805 HH22 ARG 103 HH22 ARG 103 0.034 -26.486 20.675 806 H GLY 104 H GLY 104 3.244 -20.112 21.007 807 HA2 GLY 104 HA2 GLY 104 2.751 -22.381 22.916 808 HA3 GLY 104 HA3 GLY 104 3.482 -20.841 23.350 809 H ILE 105 H ILE 105 1.044 -19.968 21.309 810 HA ILE 105 HA ILE 105 -0.639 -19.052 23.418 811 HB ILE 105 HB ILE 105 -0.097 -17.725 21.553 812 HG12 ILE 105 HG12 ILE 105 -2.245 -17.369 22.809 813 HG13 ILE 105 HG13 ILE 105 -2.037 -16.566 21.264 814 HG21 ILE 105 HG21 ILE 105 -1.060 -17.995 19.305 815 HG22 ILE 105 HG22 ILE 105 0.079 -19.274 19.713 816 HG23 ILE 105 HG23 ILE 105 -1.663 -19.597 19.748 817 HD11 ILE 105 HD11 ILE 105 -3.785 -19.017 21.688 818 HD12 ILE 105 HD12 ILE 105 -4.325 -17.345 21.527 819 HD13 ILE 105 HD13 ILE 105 -3.553 -18.145 20.157 820 HA PRO 106 HA PRO 106 -3.368 -22.639 23.349 821 HB2 PRO 106 HB2 PRO 106 -4.794 -22.200 25.605 822 HB3 PRO 106 HB3 PRO 106 -3.049 -22.608 25.632 823 HG2 PRO 106 HG2 PRO 106 -4.325 -19.874 25.859 824 HG3 PRO 106 HG3 PRO 106 -3.024 -20.576 26.867 825 HD2 PRO 106 HD2 PRO 106 -2.533 -18.902 24.728 826 HD3 PRO 106 HD3 PRO 106 -1.408 -20.190 25.238 827 HHA HEC 107 HHA HEC 107 -4.814 -3.329 0.813 828 HHB HEC 107 HHB HEC 107 0.517 0.147 1.781 829 HHC HEC 107 HHC HEC 107 -3.000 4.559 4.982 830 HHD HEC 107 HHD HEC 107 -7.980 0.450 4.952 831 HMA1 HEC 107 HMA1 HEC 107 0.400 -3.210 -0.021 832 HMA2 HEC 107 HMA2 HEC 107 0.524 -1.570 -0.683 833 HMA3 HEC 107 HMA3 HEC 107 1.087 -1.931 0.970 834 HAA1 HEC 107 HAA1 HEC 107 -3.276 -3.881 -0.814 835 HAA2 HEC 107 HAA2 HEC 107 -1.563 -3.780 -1.120 836 HBA1 HEC 107 HBA1 HEC 107 -1.115 -5.005 1.035 837 HBA2 HEC 107 HBA2 HEC 107 -2.858 -5.154 1.282 838 HMB1 HEC 107 HMB1 HEC 107 1.957 3.274 3.183 839 HMB2 HEC 107 HMB2 HEC 107 1.858 1.884 4.264 840 HMB3 HEC 107 HMB3 HEC 107 1.903 1.651 2.510 841 HAB HEC 107 HAB HEC 107 -1.040 5.112 5.044 842 HBB1 HEC 107 HBB1 HEC 107 0.568 6.540 3.894 843 HBB2 HEC 107 HBB2 HEC 107 0.901 5.229 2.759 844 HBB3 HEC 107 HBB3 HEC 107 -0.736 5.914 2.868 845 HMC1 HEC 107 HMC1 HEC 107 -6.127 5.067 7.021 846 HMC2 HEC 107 HMC2 HEC 107 -4.401 5.026 6.753 847 HMC3 HEC 107 HMC3 HEC 107 -5.461 5.797 5.553 848 HAC HEC 107 HAC HEC 107 -8.386 1.979 6.274 849 HBC1 HEC 107 HBC1 HEC 107 -9.609 3.979 6.714 850 HBC2 HEC 107 HBC2 HEC 107 -8.221 4.991 6.297 851 HBC3 HEC 107 HBC3 HEC 107 -8.994 3.996 5.049 852 HMD1 HEC 107 HMD1 HEC 107 -8.600 -1.840 5.219 853 HMD2 HEC 107 HMD2 HEC 107 -9.537 -1.741 3.705 854 HMD3 HEC 107 HMD3 HEC 107 -8.744 -3.249 4.170 855 HAD1 HEC 107 HAD1 HEC 107 -7.116 -4.312 1.407 856 HAD2 HEC 107 HAD2 HEC 107 -8.607 -3.407 1.724 857 HBD1 HEC 107 HBD1 HEC 107 -6.664 -3.029 -0.551 858 HBD2 HEC 107 HBD2 HEC 107 -8.411 -3.213 -0.581 Start of MODEL 7 1 H SER 1 H SER 1 13.794 6.307 5.775 2 HA SER 1 HA SER 1 12.556 7.042 8.181 3 HB2 SER 1 HB2 SER 1 11.973 8.269 5.466 4 HB3 SER 1 HB3 SER 1 11.998 9.072 7.045 5 HG SER 1 HG SER 1 13.838 9.453 5.738 6 H GLY 2 H GLY 2 11.119 5.174 5.621 7 HA2 GLY 2 HA2 GLY 2 8.501 5.998 5.418 8 HA3 GLY 2 HA3 GLY 2 8.997 4.345 5.337 9 H GLU 3 H GLU 3 9.865 4.305 8.271 10 HA GLU 3 HA GLU 3 7.474 3.471 9.554 11 HB2 GLU 3 HB2 GLU 3 9.908 3.056 10.272 12 HB3 GLU 3 HB3 GLU 3 9.908 4.699 10.914 13 HG2 GLU 3 HG2 GLU 3 7.650 3.753 12.113 14 HG3 GLU 3 HG3 GLU 3 8.486 2.235 11.905 15 H GLN 4 H GLN 4 8.988 6.698 9.389 16 HA GLN 4 HA GLN 4 7.406 8.024 11.389 17 HB2 GLN 4 HB2 GLN 4 8.730 9.197 8.901 18 HB3 GLN 4 HB3 GLN 4 8.271 10.076 10.355 19 HG2 GLN 4 HG2 GLN 4 10.008 8.962 11.656 20 HG3 GLN 4 HG3 GLN 4 10.394 7.878 10.323 21 HE21 GLN 4 HE21 GLN 4 12.646 8.671 10.579 22 HE22 GLN 4 HE22 GLN 4 13.052 10.259 9.937 23 H ILE 5 H ILE 5 7.016 7.423 7.962 24 HA ILE 5 HA ILE 5 4.662 9.102 7.563 25 HB ILE 5 HB ILE 5 5.895 7.017 5.728 26 HG12 ILE 5 HG12 ILE 5 6.425 10.022 5.901 27 HG13 ILE 5 HG13 ILE 5 7.566 8.748 6.344 28 HG21 ILE 5 HG21 ILE 5 4.053 9.395 5.158 29 HG22 ILE 5 HG22 ILE 5 4.663 8.238 3.960 30 HG23 ILE 5 HG23 ILE 5 3.531 7.699 5.193 31 HD11 ILE 5 HD11 ILE 5 8.222 9.510 4.207 32 HD12 ILE 5 HD12 ILE 5 7.491 7.904 3.982 33 HD13 ILE 5 HD13 ILE 5 6.582 9.378 3.563 34 H PHE 6 H PHE 6 5.327 5.564 7.860 35 HA PHE 6 HA PHE 6 2.642 4.678 7.660 36 HB2 PHE 6 HB2 PHE 6 4.644 3.224 7.607 37 HB3 PHE 6 HB3 PHE 6 4.927 3.534 9.315 38 HD1 PHE 6 HD2 PHE 6 2.575 1.980 6.870 39 HD2 PHE 6 HD1 PHE 6 3.698 2.322 11.021 40 HE1 PHE 6 HE2 PHE 6 0.953 0.189 7.467 41 HE2 PHE 6 HE1 PHE 6 2.100 0.521 11.599 42 HZ PHE 6 HZ PHE 6 0.703 -0.522 9.831 43 H ARG 7 H ARG 7 4.434 5.891 10.503 44 HA ARG 7 HA ARG 7 2.363 5.575 12.420 45 HB2 ARG 7 HB2 ARG 7 4.828 5.974 12.780 46 HB3 ARG 7 HB3 ARG 7 4.536 7.691 12.461 47 HG2 ARG 7 HG2 ARG 7 2.983 7.776 14.395 48 HG3 ARG 7 HG3 ARG 7 3.176 6.026 14.633 49 HD2 ARG 7 HD2 ARG 7 5.621 6.400 15.041 50 HD3 ARG 7 HD3 ARG 7 5.343 8.150 14.901 51 HE ARG 7 HE ARG 7 3.586 6.885 16.831 52 HH11 ARG 7 HH11 ARG 7 6.878 8.208 16.462 53 HH12 ARG 7 HH12 ARG 7 7.064 8.491 18.179 54 HH21 ARG 7 HH21 ARG 7 3.874 7.260 19.038 55 HH22 ARG 7 HH22 ARG 7 5.364 7.955 19.637 56 H THR 8 H THR 8 2.677 7.980 9.920 57 HA THR 8 HA THR 8 0.635 9.729 11.229 58 HB THR 8 HB THR 8 1.571 11.543 9.757 59 HG1 THR 8 HG1 THR 8 3.874 9.925 9.631 60 HG21 THR 8 HG21 THR 8 3.488 11.990 11.206 61 HG22 THR 8 HG22 THR 8 3.503 10.301 11.768 62 HG23 THR 8 HG23 THR 8 2.136 11.360 12.158 63 H ARG 9 H ARG 9 1.002 7.690 8.500 64 HA ARG 9 HA ARG 9 -1.510 8.813 7.298 65 HB2 ARG 9 HB2 ARG 9 0.754 7.353 5.902 66 HB3 ARG 9 HB3 ARG 9 -0.655 8.079 5.138 67 HG2 ARG 9 HG2 ARG 9 1.582 9.597 6.546 68 HG3 ARG 9 HG3 ARG 9 1.385 9.391 4.808 69 HD2 ARG 9 HD2 ARG 9 -0.742 10.634 4.862 70 HD3 ARG 9 HD3 ARG 9 -0.590 10.831 6.617 71 HE ARG 9 HE ARG 9 1.640 11.789 4.932 72 HH11 ARG 9 HH11 ARG 9 -1.218 12.710 6.858 73 HH12 ARG 9 HH12 ARG 9 -0.717 14.384 6.976 74 HH21 ARG 9 HH21 ARG 9 2.241 13.952 5.117 75 HH22 ARG 9 HH22 ARG 9 1.237 15.083 5.998 76 H CYS 10 H CYS 10 -0.149 5.871 8.603 77 HA CYS 10 HA CYS 10 -2.244 4.235 7.194 78 HB2 CYS 10 HB2 CYS 10 0.525 3.299 7.827 79 HB3 CYS 10 HB3 CYS 10 -0.637 2.554 6.739 80 H SER 11 H SER 11 -0.663 4.815 10.253 81 HA SER 11 HA SER 11 -1.089 2.202 11.441 82 HB2 SER 11 HB2 SER 11 -0.406 4.926 12.607 83 HB3 SER 11 HB3 SER 11 -0.481 3.434 13.555 84 HG SER 11 HG SER 11 1.147 3.887 11.274 85 H SER 12 H SER 12 -3.260 4.685 10.755 86 HA SER 12 HA SER 12 -5.229 4.332 12.820 87 HB2 SER 12 HB2 SER 12 -6.663 5.446 11.037 88 HB3 SER 12 HB3 SER 12 -5.211 6.326 11.521 89 HG SER 12 HG SER 12 -5.453 6.260 9.254 90 H CYS 13 H CYS 13 -4.352 2.340 10.087 91 HA CYS 13 HA CYS 13 -6.794 0.664 10.524 92 HB2 CYS 13 HB2 CYS 13 -5.686 1.496 7.841 93 HB3 CYS 13 HB3 CYS 13 -7.072 0.447 8.110 94 H HIS 14 H HIS 14 -3.370 0.620 9.976 95 HA HIS 14 HA HIS 14 -3.447 -2.269 9.195 96 HB2 HIS 14 2HB HIS 14 -1.780 0.037 8.171 97 HB3 HIS 14 3HB HIS 14 -1.229 -1.606 7.972 98 HD1 HIS 14 1HD HIS 14 -3.128 -3.318 6.637 99 HD2 HIS 14 2HD HIS 14 -2.986 0.849 6.192 100 HE1 HIS 14 1HE HIS 14 -4.142 -2.843 4.361 101 H THR 15 H THR 15 -1.135 -3.035 9.204 102 HA THR 15 HA THR 15 0.516 -2.479 11.567 103 HB THR 15 HB THR 15 0.645 -4.904 12.144 104 HG1 THR 15 HG1 THR 15 -1.741 -5.074 10.644 105 HG21 THR 15 HG21 THR 15 -2.182 -3.817 12.490 106 HG22 THR 15 HG22 THR 15 -0.796 -3.540 13.573 107 HG23 THR 15 HG23 THR 15 -1.463 -5.179 13.361 108 H VAL 16 H VAL 16 2.657 -3.741 11.306 109 HA VAL 16 HA VAL 16 3.053 -4.868 8.559 110 HB VAL 16 HB VAL 16 5.207 -3.182 9.861 111 HG11 VAL 16 HG11 VAL 16 5.969 -4.962 8.291 112 HG12 VAL 16 HG12 VAL 16 4.873 -4.352 7.042 113 HG13 VAL 16 HG13 VAL 16 6.228 -3.361 7.613 114 HG21 VAL 16 HG21 VAL 16 4.726 -1.578 7.975 115 HG22 VAL 16 HG22 VAL 16 3.201 -2.443 7.687 116 HG23 VAL 16 HG23 VAL 16 3.494 -1.614 9.233 117 H GLY 17 H GLY 17 3.072 -6.909 8.983 118 HA2 GLY 17 HA2 GLY 17 3.978 -8.956 9.629 119 HA3 GLY 17 HA3 GLY 17 5.263 -8.106 10.503 120 H ASN 18 H ASN 18 1.721 -8.513 10.754 121 HA ASN 18 HA ASN 18 1.928 -9.449 13.543 122 HB2 ASN 18 HB2 ASN 18 0.351 -6.948 12.843 123 HB3 ASN 18 HB3 ASN 18 0.232 -7.827 14.361 124 HD21 ASN 18 HD21 ASN 18 2.062 -7.800 15.848 125 HD22 ASN 18 HD22 ASN 18 3.253 -6.510 15.682 126 H THR 19 H THR 19 -1.065 -8.191 12.292 127 HA THR 19 HA THR 19 -3.052 -8.998 11.904 128 HB THR 19 HB THR 19 -1.825 -11.218 10.248 129 HG1 THR 19 HG1 THR 19 -0.793 -9.503 9.487 130 HG21 THR 19 HG21 THR 19 -4.359 -9.548 9.955 131 HG22 THR 19 HG22 THR 19 -4.254 -11.312 10.181 132 HG23 THR 19 HG23 THR 19 -3.693 -10.592 8.677 133 H GLU 20 H GLU 20 -1.111 -11.171 13.643 134 HA GLU 20 HA GLU 20 -2.925 -13.329 14.045 135 HB2 GLU 20 HB2 GLU 20 -1.287 -14.064 15.703 136 HB3 GLU 20 HB3 GLU 20 -0.511 -13.500 14.234 137 HG2 GLU 20 HG2 GLU 20 -0.040 -11.303 15.374 138 HG3 GLU 20 HG3 GLU 20 -0.738 -11.972 16.860 139 HA PRO 21 HA PRO 21 -5.920 -12.347 16.878 140 HB2 PRO 21 HB2 PRO 21 -4.762 -14.200 18.975 141 HB3 PRO 21 HB3 PRO 21 -6.466 -14.026 18.448 142 HG2 PRO 21 HG2 PRO 21 -4.977 -16.032 17.441 143 HG3 PRO 21 HG3 PRO 21 -6.001 -15.055 16.334 144 HD2 PRO 21 HD2 PRO 21 -3.028 -14.837 16.842 145 HD3 PRO 21 HD3 PRO 21 -3.918 -14.782 15.290 146 H GLY 22 H GLY 22 -6.465 -10.729 18.189 147 HA2 GLY 22 HA2 GLY 22 -6.336 -8.991 19.683 148 HA3 GLY 22 HA3 GLY 22 -4.936 -9.748 20.444 149 H GLN 23 H GLN 23 -4.115 -9.415 17.200 150 HA GLN 23 HA GLN 23 -3.471 -6.554 17.265 151 HB2 GLN 23 HB2 GLN 23 -1.066 -6.900 16.917 152 HB3 GLN 23 HB3 GLN 23 -1.628 -7.517 18.465 153 HG2 GLN 23 HG2 GLN 23 -1.669 -9.834 17.532 154 HG3 GLN 23 HG3 GLN 23 -1.055 -9.214 15.997 155 HE21 GLN 23 HE21 GLN 23 -0.316 -9.499 19.484 156 HE22 GLN 23 HE22 GLN 23 1.410 -9.659 19.263 157 HA PRO 24 HA PRO 24 -3.976 -7.334 12.753 158 HB2 PRO 24 HB2 PRO 24 -6.597 -7.421 12.232 159 HB3 PRO 24 HB3 PRO 24 -5.699 -8.928 12.589 160 HG2 PRO 24 HG2 PRO 24 -7.427 -7.300 14.474 161 HG3 PRO 24 HG3 PRO 24 -7.417 -9.071 14.229 162 HD2 PRO 24 HD2 PRO 24 -6.034 -7.738 16.242 163 HD3 PRO 24 HD3 PRO 24 -5.556 -9.335 15.585 164 H GLY 25 H GLY 25 -4.913 -5.522 11.501 165 HA2 GLY 25 HA2 GLY 25 -5.460 -3.072 13.120 166 HA3 GLY 25 HA3 GLY 25 -5.176 -3.157 11.384 167 H ILE 26 H ILE 26 -7.096 -1.924 11.113 168 HA ILE 26 HA ILE 26 -9.738 -3.176 11.173 169 HB ILE 26 HB ILE 26 -8.397 -0.971 9.586 170 HG12 ILE 26 HG12 ILE 26 -10.820 -0.925 11.444 171 HG13 ILE 26 HG13 ILE 26 -9.166 -0.705 12.016 172 HG21 ILE 26 HG21 ILE 26 -9.931 -1.962 7.953 173 HG22 ILE 26 HG22 ILE 26 -11.250 -1.921 9.139 174 HG23 ILE 26 HG23 ILE 26 -10.560 -0.422 8.502 175 HD11 ILE 26 HD11 ILE 26 -10.645 1.123 10.098 176 HD12 ILE 26 HD12 ILE 26 -10.117 1.463 11.759 177 HD13 ILE 26 HD13 ILE 26 -8.912 1.231 10.479 178 H GLY 27 H GLY 27 -6.832 -3.605 9.347 179 HA2 GLY 27 HA2 GLY 27 -7.964 -5.973 7.983 180 HA3 GLY 27 HA3 GLY 27 -7.315 -4.701 6.944 181 HA PRO 28 HA PRO 28 -4.120 -7.912 7.922 182 HB2 PRO 28 HB2 PRO 28 -3.427 -7.415 5.036 183 HB3 PRO 28 HB3 PRO 28 -3.560 -8.969 5.917 184 HG2 PRO 28 HG2 PRO 28 -5.522 -8.157 4.234 185 HG3 PRO 28 HG3 PRO 28 -5.940 -8.903 5.811 186 HD2 PRO 28 HD2 PRO 28 -5.833 -5.961 5.090 187 HD3 PRO 28 HD3 PRO 28 -7.104 -6.869 5.967 188 H ASP 29 H ASP 29 -1.785 -8.030 7.749 189 HA ASP 29 HA ASP 29 -0.498 -5.423 7.916 190 HB2 ASP 29 HB2 ASP 29 1.221 -6.389 9.060 191 HB3 ASP 29 HB3 ASP 29 -0.160 -7.323 9.584 192 H LEU 30 H LEU 30 1.494 -4.889 6.996 193 HA LEU 30 HA LEU 30 1.553 -5.498 4.114 194 HB2 LEU 30 HB2 LEU 30 2.994 -3.274 5.556 195 HB3 LEU 30 HB3 LEU 30 2.556 -3.357 3.856 196 HG LEU 30 HG LEU 30 0.649 -3.030 6.206 197 HD11 LEU 30 HD11 LEU 30 0.314 -0.761 5.282 198 HD12 LEU 30 HD12 LEU 30 1.501 -1.103 3.998 199 HD13 LEU 30 HD13 LEU 30 2.019 -1.035 5.693 200 HD21 LEU 30 HD21 LEU 30 -1.069 -2.542 4.433 201 HD22 LEU 30 HD22 LEU 30 -0.518 -4.212 4.390 202 HD23 LEU 30 HD23 LEU 30 0.092 -3.062 3.193 203 H LEU 31 H LEU 31 3.144 -7.176 6.292 204 HA LEU 31 HA LEU 31 5.938 -6.669 5.510 205 HB2 LEU 31 HB2 LEU 31 5.090 -7.297 7.765 206 HB3 LEU 31 HB3 LEU 31 4.728 -8.897 7.149 207 HG LEU 31 HG LEU 31 6.636 -8.972 8.528 208 HD11 LEU 31 HD11 LEU 31 8.283 -10.024 7.247 209 HD12 LEU 31 HD12 LEU 31 7.913 -9.091 5.802 210 HD13 LEU 31 HD13 LEU 31 6.765 -10.325 6.399 211 HD21 LEU 31 HD21 LEU 31 7.810 -6.727 6.858 212 HD22 LEU 31 HD22 LEU 31 8.684 -7.639 8.102 213 HD23 LEU 31 HD23 LEU 31 7.290 -6.686 8.564 214 H GLY 32 H GLY 32 7.111 -7.867 4.189 215 HA2 GLY 32 HA2 GLY 32 7.788 -9.461 2.621 216 HA3 GLY 32 HA3 GLY 32 6.553 -10.512 3.310 217 H VAL 33 H VAL 33 4.346 -8.612 2.371 218 HA VAL 33 HA VAL 33 3.747 -9.641 -0.149 219 HB VAL 33 HB VAL 33 2.173 -8.527 1.356 220 HG11 VAL 33 HG11 VAL 33 1.886 -6.119 1.421 221 HG12 VAL 33 HG12 VAL 33 3.501 -6.544 1.995 222 HG13 VAL 33 HG13 VAL 33 3.292 -5.873 0.366 223 HG21 VAL 33 HG21 VAL 33 0.751 -7.498 -0.298 224 HG22 VAL 33 HG22 VAL 33 2.128 -7.236 -1.390 225 HG23 VAL 33 HG23 VAL 33 1.582 -8.891 -1.009 226 H THR 34 H THR 34 5.814 -6.901 0.533 227 HA THR 34 HA THR 34 6.360 -5.779 -1.974 228 HB THR 34 HB THR 34 7.364 -4.825 -0.065 229 HG1 THR 34 HG1 THR 34 8.675 -4.819 -1.915 230 HG21 THR 34 HG21 THR 34 8.865 -7.426 0.479 231 HG22 THR 34 HG22 THR 34 7.566 -6.728 1.482 232 HG23 THR 34 HG23 THR 34 9.102 -5.885 1.315 233 H ARG 35 H ARG 35 7.512 -8.918 -0.760 234 HA ARG 35 HA ARG 35 8.999 -9.387 -3.293 235 HB2 ARG 35 HB2 ARG 35 10.308 -11.047 -2.117 236 HB3 ARG 35 HB3 ARG 35 10.433 -9.449 -1.380 237 HG2 ARG 35 HG2 ARG 35 8.974 -10.070 0.433 238 HG3 ARG 35 HG3 ARG 35 8.562 -11.620 -0.344 239 HD2 ARG 35 HD2 ARG 35 10.934 -12.319 -0.116 240 HD3 ARG 35 HD3 ARG 35 11.293 -10.775 0.693 241 HE ARG 35 HE ARG 35 9.081 -12.156 1.936 242 HH11 ARG 35 HH11 ARG 35 12.633 -12.135 1.772 243 HH12 ARG 35 HH12 ARG 35 12.816 -12.868 3.353 244 HH21 ARG 35 HH21 ARG 35 9.335 -13.092 3.959 245 HH22 ARG 35 HH22 ARG 35 10.933 -13.416 4.602 246 H GLN 36 H GLN 36 6.014 -9.915 -2.370 247 HA GLN 36 HA GLN 36 5.763 -12.560 -3.711 248 HB2 GLN 36 HB2 GLN 36 5.109 -11.789 -1.060 249 HB3 GLN 36 HB3 GLN 36 3.569 -11.856 -1.878 250 HG2 GLN 36 HG2 GLN 36 5.675 -14.050 -1.908 251 HG3 GLN 36 HG3 GLN 36 4.335 -13.975 -0.773 252 HE21 GLN 36 HE21 GLN 36 5.259 -15.279 -3.855 253 HE22 GLN 36 HE22 GLN 36 3.632 -15.710 -4.340 254 H ARG 37 H ARG 37 5.371 -9.498 -4.492 255 HA ARG 37 HA ARG 37 3.069 -9.962 -6.337 256 HB2 ARG 37 HB2 ARG 37 3.600 -7.441 -4.712 257 HB3 ARG 37 HB3 ARG 37 2.357 -7.602 -5.940 258 HG2 ARG 37 HG2 ARG 37 2.411 -9.152 -3.323 259 HG3 ARG 37 HG3 ARG 37 1.479 -7.690 -3.655 260 HD2 ARG 37 HD2 ARG 37 0.264 -8.873 -5.473 261 HD3 ARG 37 HD3 ARG 37 1.114 -10.366 -5.059 262 HE ARG 37 HE ARG 37 -1.042 -9.029 -3.580 263 HH11 ARG 37 HH11 ARG 37 1.483 -11.544 -3.366 264 HH12 ARG 37 HH12 ARG 37 0.734 -12.310 -1.982 265 HH21 ARG 37 HH21 ARG 37 -1.956 -10.050 -1.788 266 HH22 ARG 37 HH22 ARG 37 -1.202 -11.467 -1.095 267 H ASP 38 H ASP 38 3.066 -8.129 -8.012 268 HA ASP 38 HA ASP 38 5.658 -7.569 -9.239 269 HB2 ASP 38 HB2 ASP 38 3.708 -7.868 -10.602 270 HB3 ASP 38 HB3 ASP 38 2.810 -6.655 -9.733 271 H ALA 39 H ALA 39 7.063 -6.099 -8.611 272 HA ALA 39 HA ALA 39 6.664 -4.473 -6.329 273 HB1 ALA 39 HB1 ALA 39 8.994 -3.808 -6.774 274 HB2 ALA 39 HB2 ALA 39 8.790 -5.557 -7.019 275 HB3 ALA 39 HB3 ALA 39 8.877 -4.457 -8.418 276 H ASN 40 H ASN 40 5.758 -3.657 -9.527 277 HA ASN 40 HA ASN 40 5.872 -0.748 -8.833 278 HB2 ASN 40 HB2 ASN 40 7.084 -1.409 -10.902 279 HB3 ASN 40 HB3 ASN 40 5.547 -1.949 -11.602 280 HD21 ASN 40 HD21 ASN 40 4.142 -0.334 -12.437 281 HD22 ASN 40 HD22 ASN 40 4.509 1.392 -12.322 282 H TRP 41 H TRP 41 3.734 -3.362 -10.009 283 HA TRP 41 HA TRP 41 1.266 -1.938 -10.147 284 HB2 TRP 41 HB2 TRP 41 1.586 -4.238 -10.945 285 HB3 TRP 41 HB3 TRP 41 1.916 -4.773 -9.298 286 HD1 TRP 41 HD1 TRP 41 -0.959 -3.894 -11.602 287 HE1 TRP 41 HE1 TRP 41 -3.176 -4.730 -10.603 288 HE3 TRP 41 HE3 TRP 41 0.750 -5.386 -7.011 289 HZ2 TRP 41 HZ2 TRP 41 -4.096 -5.759 -8.071 290 HZ3 TRP 41 HZ3 TRP 41 -0.844 -6.270 -5.307 291 HH2 TRP 41 HH2 TRP 41 -3.244 -6.501 -5.856 292 H LEU 42 H LEU 42 2.747 -3.644 -7.335 293 HA LEU 42 HA LEU 42 0.669 -3.121 -5.491 294 HB2 LEU 42 HB2 LEU 42 2.499 -4.797 -5.254 295 HB3 LEU 42 HB3 LEU 42 3.668 -3.497 -5.063 296 HG LEU 42 HG LEU 42 2.524 -2.805 -2.938 297 HD11 LEU 42 HD11 LEU 42 0.263 -3.681 -3.318 298 HD12 LEU 42 HD12 LEU 42 0.960 -4.444 -1.881 299 HD13 LEU 42 HD13 LEU 42 0.889 -5.340 -3.412 300 HD21 LEU 42 HD21 LEU 42 4.476 -4.321 -2.943 301 HD22 LEU 42 HD22 LEU 42 3.389 -5.723 -3.032 302 HD23 LEU 42 HD23 LEU 42 3.368 -4.658 -1.607 303 H VAL 43 H VAL 43 3.454 -1.149 -6.364 304 HA VAL 43 HA VAL 43 3.057 0.880 -4.305 305 HB VAL 43 HB VAL 43 4.834 0.824 -6.778 306 HG11 VAL 43 HG11 VAL 43 6.109 2.623 -5.614 307 HG12 VAL 43 HG12 VAL 43 4.491 3.152 -6.075 308 HG13 VAL 43 HG13 VAL 43 4.825 2.708 -4.387 309 HG21 VAL 43 HG21 VAL 43 6.621 0.382 -5.059 310 HG22 VAL 43 HG22 VAL 43 5.352 0.198 -3.836 311 HG23 VAL 43 HG23 VAL 43 5.457 -0.932 -5.196 312 H ARG 44 H ARG 44 2.331 0.622 -7.803 313 HA ARG 44 HA ARG 44 1.233 3.246 -8.093 314 HB2 ARG 44 HB2 ARG 44 1.983 1.830 -9.956 315 HB3 ARG 44 HB3 ARG 44 0.633 0.714 -9.676 316 HG2 ARG 44 HG2 ARG 44 -0.985 2.481 -10.191 317 HG3 ARG 44 HG3 ARG 44 0.313 3.690 -10.304 318 HD2 ARG 44 HD2 ARG 44 1.263 2.564 -12.244 319 HD3 ARG 44 HD3 ARG 44 0.109 1.234 -12.084 320 HE ARG 44 HE ARG 44 -0.693 4.066 -12.664 321 HH11 ARG 44 HH11 ARG 44 -1.028 0.589 -13.425 322 HH12 ARG 44 HH12 ARG 44 -2.321 0.877 -14.570 323 HH21 ARG 44 HH21 ARG 44 -2.380 4.360 -14.143 324 HH22 ARG 44 HH22 ARG 44 -3.079 2.984 -14.971 325 H TRP 45 H TRP 45 -0.306 0.103 -7.330 326 HA TRP 45 HA TRP 45 -2.972 0.918 -6.885 327 HB2 TRP 45 HB2 TRP 45 -2.641 -1.375 -6.713 328 HB3 TRP 45 HB3 TRP 45 -1.178 -1.211 -5.760 329 HD1 TRP 45 HD1 TRP 45 -1.300 -1.350 -3.249 330 HE1 TRP 45 HE1 TRP 45 -3.156 -1.644 -1.493 331 HE3 TRP 45 HE3 TRP 45 -5.379 -0.509 -6.225 332 HZ2 TRP 45 HZ2 TRP 45 -6.036 -1.420 -1.373 333 HZ3 TRP 45 HZ3 TRP 45 -7.660 -0.457 -5.243 334 HH2 TRP 45 HH2 TRP 45 -8.000 -0.931 -2.829 335 H LEU 46 H LEU 46 -0.366 0.837 -4.359 336 HA LEU 46 HA LEU 46 -2.197 2.049 -2.516 337 HB2 LEU 46 HB2 LEU 46 -0.557 1.790 -0.864 338 HB3 LEU 46 HB3 LEU 46 -0.455 0.412 -1.945 339 HG LEU 46 HG LEU 46 1.507 1.689 -3.076 340 HD11 LEU 46 HD11 LEU 46 1.327 3.129 -0.413 341 HD12 LEU 46 HD12 LEU 46 1.403 3.849 -2.032 342 HD13 LEU 46 HD13 LEU 46 2.817 3.031 -1.381 343 HD21 LEU 46 HD21 LEU 46 1.800 0.584 -0.251 344 HD22 LEU 46 HD22 LEU 46 3.090 0.712 -1.469 345 HD23 LEU 46 HD23 LEU 46 1.737 -0.384 -1.747 346 H LYS 47 H LYS 47 -0.107 3.544 -4.799 347 HA LYS 47 HA LYS 47 -0.103 6.167 -3.483 348 HB2 LYS 47 HB2 LYS 47 1.796 5.391 -4.831 349 HB3 LYS 47 HB3 LYS 47 0.765 5.260 -6.265 350 HG2 LYS 47 HG2 LYS 47 0.390 7.634 -6.304 351 HG3 LYS 47 HG3 LYS 47 1.203 7.864 -4.743 352 HD2 LYS 47 HD2 LYS 47 3.335 7.064 -5.856 353 HD3 LYS 47 HD3 LYS 47 2.467 7.045 -7.400 354 HE2 LYS 47 HE2 LYS 47 2.856 9.477 -5.580 355 HE3 LYS 47 HE3 LYS 47 3.774 9.135 -7.054 356 HZ1 LYS 47 HZ1 LYS 47 1.653 9.270 -8.291 357 HZ2 LYS 47 HZ2 LYS 47 2.046 10.677 -7.556 358 HZ3 LYS 47 HZ3 LYS 47 0.857 9.695 -6.937 359 H VAL 48 H VAL 48 -2.213 4.572 -5.842 360 HA VAL 48 HA VAL 48 -3.918 7.000 -5.791 361 HB VAL 48 HB VAL 48 -2.203 6.913 -7.717 362 HG11 VAL 48 HG11 VAL 48 -4.294 5.405 -9.264 363 HG12 VAL 48 HG12 VAL 48 -2.658 5.886 -9.722 364 HG13 VAL 48 HG13 VAL 48 -2.896 4.596 -8.533 365 HG21 VAL 48 HG21 VAL 48 -3.618 8.694 -7.586 366 HG22 VAL 48 HG22 VAL 48 -3.911 8.061 -9.214 367 HG23 VAL 48 HG23 VAL 48 -5.069 7.740 -7.887 368 HA PRO 49 HA PRO 49 -5.729 2.642 -5.548 369 HB2 PRO 49 HB2 PRO 49 -6.870 2.597 -3.046 370 HB3 PRO 49 HB3 PRO 49 -5.142 2.293 -3.358 371 HG2 PRO 49 HG2 PRO 49 -6.430 4.945 -2.597 372 HG3 PRO 49 HG3 PRO 49 -5.040 4.136 -1.801 373 HD2 PRO 49 HD2 PRO 49 -4.640 6.057 -3.624 374 HD3 PRO 49 HD3 PRO 49 -3.649 4.567 -3.662 375 H ASP 50 H ASP 50 -7.460 5.685 -5.123 376 HA ASP 50 HA ASP 50 -10.098 4.356 -5.539 377 HB2 ASP 50 HB2 ASP 50 -9.827 6.223 -3.923 378 HB3 ASP 50 HB3 ASP 50 -9.408 7.292 -5.262 379 H GLN 51 H GLN 51 -7.667 6.214 -7.337 380 HA GLN 51 HA GLN 51 -9.276 6.651 -9.694 381 HB2 GLN 51 HB2 GLN 51 -7.301 8.039 -9.082 382 HB3 GLN 51 HB3 GLN 51 -6.277 6.612 -9.265 383 HG2 GLN 51 HG2 GLN 51 -6.033 8.090 -11.152 384 HG3 GLN 51 HG3 GLN 51 -6.705 6.549 -11.665 385 HE21 GLN 51 HE21 GLN 51 -9.047 6.483 -12.178 386 HE22 GLN 51 HE22 GLN 51 -9.857 7.984 -12.650 387 H MET 52 H MET 52 -6.898 4.138 -8.722 388 HA MET 52 HA MET 52 -6.641 2.693 -11.111 389 HB2 MET 52 HB2 MET 52 -6.679 1.922 -8.173 390 HB3 MET 52 HB3 MET 52 -6.357 0.717 -9.431 391 HG2 MET 52 HG2 MET 52 -4.810 3.301 -9.133 392 HG3 MET 52 HG3 MET 52 -4.341 1.820 -8.323 393 HE1 MET 52 HE1 MET 52 -4.546 -0.541 -10.146 394 HE2 MET 52 HE2 MET 52 -3.023 -0.490 -11.064 395 HE3 MET 52 HE3 MET 52 -3.032 -0.085 -9.332 396 H LEU 53 H LEU 53 -9.288 2.447 -8.712 397 HA LEU 53 HA LEU 53 -10.626 0.282 -10.072 398 HB2 LEU 53 HB2 LEU 53 -11.638 2.255 -7.992 399 HB3 LEU 53 HB3 LEU 53 -12.464 0.776 -8.477 400 HG LEU 53 HG LEU 53 -9.742 0.905 -7.098 401 HD11 LEU 53 HD11 LEU 53 -10.948 0.024 -5.144 402 HD12 LEU 53 HD12 LEU 53 -12.478 0.093 -6.044 403 HD13 LEU 53 HD13 LEU 53 -11.609 1.588 -5.641 404 HD21 LEU 53 HD21 LEU 53 -11.495 -1.478 -7.812 405 HD22 LEU 53 HD22 LEU 53 -10.066 -1.540 -6.756 406 HD23 LEU 53 HD23 LEU 53 -9.880 -1.119 -8.466 407 H ALA 54 H ALA 54 -10.729 3.775 -10.463 408 HA ALA 54 HA ALA 54 -13.156 3.774 -12.132 409 HB1 ALA 54 HB1 ALA 54 -12.748 5.648 -10.655 410 HB2 ALA 54 HB2 ALA 54 -11.160 5.939 -11.392 411 HB3 ALA 54 HB3 ALA 54 -12.633 6.173 -12.350 412 H GLU 55 H GLU 55 -9.631 3.909 -12.606 413 HA GLU 55 HA GLU 55 -9.667 4.138 -15.482 414 HB2 GLU 55 HB2 GLU 55 -7.761 4.634 -13.830 415 HB3 GLU 55 HB3 GLU 55 -7.556 2.890 -13.673 416 HG2 GLU 55 HG2 GLU 55 -5.929 3.609 -15.223 417 HG3 GLU 55 HG3 GLU 55 -7.144 2.819 -16.187 418 H LYS 56 H LYS 56 -10.429 1.601 -13.346 419 HA LYS 56 HA LYS 56 -10.807 -0.609 -13.439 420 HB2 LYS 56 HB2 LYS 56 -11.226 -0.309 -16.430 421 HB3 LYS 56 HB3 LYS 56 -11.785 -1.616 -15.383 422 HG2 LYS 56 HG2 LYS 56 -13.219 0.036 -14.140 423 HG3 LYS 56 HG3 LYS 56 -12.741 1.277 -15.319 424 HD2 LYS 56 HD2 LYS 56 -13.593 -0.223 -17.153 425 HD3 LYS 56 HD3 LYS 56 -14.216 -1.326 -15.922 426 HE2 LYS 56 HE2 LYS 56 -15.048 1.588 -16.340 427 HE3 LYS 56 HE3 LYS 56 -15.950 0.167 -16.865 428 HZ1 LYS 56 HZ1 LYS 56 -16.873 0.913 -14.817 429 HZ2 LYS 56 HZ2 LYS 56 -15.428 0.978 -14.072 430 HZ3 LYS 56 HZ3 LYS 56 -16.060 -0.484 -14.462 431 H ASP 57 H ASP 57 -8.373 -0.179 -13.007 432 HA ASP 57 HA ASP 57 -6.547 -1.608 -14.842 433 HB2 ASP 57 HB2 ASP 57 -6.156 0.367 -12.706 434 HB3 ASP 57 HB3 ASP 57 -5.209 -1.084 -12.457 435 HA PRO 58 HA PRO 58 -8.383 -4.896 -12.681 436 HB2 PRO 58 HB2 PRO 58 -7.493 -7.006 -14.106 437 HB3 PRO 58 HB3 PRO 58 -8.528 -5.678 -14.767 438 HG2 PRO 58 HG2 PRO 58 -5.488 -5.787 -14.958 439 HG3 PRO 58 HG3 PRO 58 -6.660 -5.751 -16.322 440 HD2 PRO 58 HD2 PRO 58 -5.542 -3.533 -15.265 441 HD3 PRO 58 HD3 PRO 58 -7.272 -3.545 -15.734 442 H LEU 59 H LEU 59 -7.593 -7.227 -11.850 443 HA LEU 59 HA LEU 59 -7.087 -8.123 -9.972 444 HB2 LEU 59 HB2 LEU 59 -4.945 -8.283 -11.201 445 HB3 LEU 59 HB3 LEU 59 -4.336 -6.912 -10.284 446 HG LEU 59 HG LEU 59 -4.459 -8.200 -8.206 447 HD11 LEU 59 HD11 LEU 59 -4.972 -10.663 -8.301 448 HD12 LEU 59 HD12 LEU 59 -5.637 -10.425 -9.935 449 HD13 LEU 59 HD13 LEU 59 -6.390 -9.639 -8.524 450 HD21 LEU 59 HD21 LEU 59 -2.506 -8.361 -9.713 451 HD22 LEU 59 HD22 LEU 59 -3.271 -9.717 -10.562 452 HD23 LEU 59 HD23 LEU 59 -2.759 -9.904 -8.862 453 H ALA 60 H ALA 60 -6.401 -4.572 -9.820 454 HA ALA 60 HA ALA 60 -6.649 -4.476 -6.931 455 HB1 ALA 60 HB1 ALA 60 -7.206 -2.148 -7.276 456 HB2 ALA 60 HB2 ALA 60 -5.809 -2.598 -8.288 457 HB3 ALA 60 HB3 ALA 60 -7.437 -2.402 -9.018 458 H MET 61 H MET 61 -8.973 -4.303 -9.571 459 HA MET 61 HA MET 61 -11.419 -3.904 -8.283 460 HB2 MET 61 HB2 MET 61 -10.968 -5.912 -10.536 461 HB3 MET 61 HB3 MET 61 -12.402 -4.932 -10.260 462 HG2 MET 61 HG2 MET 61 -9.670 -3.912 -11.172 463 HG3 MET 61 HG3 MET 61 -11.026 -4.243 -12.219 464 HE1 MET 61 HE1 MET 61 -12.556 -2.623 -13.018 465 HE2 MET 61 HE2 MET 61 -13.504 -3.057 -11.577 466 HE3 MET 61 HE3 MET 61 -13.317 -1.345 -12.032 467 H LEU 62 H LEU 62 -9.523 -6.907 -8.441 468 HA LEU 62 HA LEU 62 -11.578 -8.518 -7.168 469 HB2 LEU 62 HB2 LEU 62 -9.934 -9.240 -8.988 470 HB3 LEU 62 HB3 LEU 62 -8.657 -9.004 -7.785 471 HG LEU 62 HG LEU 62 -9.631 -10.720 -6.368 472 HD11 LEU 62 HD11 LEU 62 -11.706 -11.018 -8.585 473 HD12 LEU 62 HD12 LEU 62 -12.013 -10.637 -6.872 474 HD13 LEU 62 HD13 LEU 62 -11.437 -12.239 -7.330 475 HD21 LEU 62 HD21 LEU 62 -9.284 -11.642 -9.251 476 HD22 LEU 62 HD22 LEU 62 -9.164 -12.686 -7.815 477 HD23 LEU 62 HD23 LEU 62 -7.982 -11.395 -8.068 478 H LEU 63 H LEU 63 -8.384 -6.975 -6.315 479 HA LEU 63 HA LEU 63 -8.023 -8.332 -3.841 480 HB2 LEU 63 HB2 LEU 63 -6.296 -7.176 -5.089 481 HB3 LEU 63 HB3 LEU 63 -7.104 -5.623 -4.931 482 HG LEU 63 HG LEU 63 -6.281 -7.111 -2.431 483 HD11 LEU 63 HD11 LEU 63 -4.063 -6.037 -2.556 484 HD12 LEU 63 HD12 LEU 63 -4.473 -5.396 -4.172 485 HD13 LEU 63 HD13 LEU 63 -4.323 -7.150 -3.899 486 HD21 LEU 63 HD21 LEU 63 -5.892 -4.812 -1.576 487 HD22 LEU 63 HD22 LEU 63 -7.544 -4.955 -2.160 488 HD23 LEU 63 HD23 LEU 63 -6.337 -4.135 -3.160 489 H PHE 64 H PHE 64 -9.724 -5.369 -4.715 490 HA PHE 64 HA PHE 64 -10.146 -4.715 -1.898 491 HB2 PHE 64 HB2 PHE 64 -10.603 -2.671 -2.478 492 HB3 PHE 64 HB3 PHE 64 -9.921 -3.119 -4.021 493 HD1 PHE 64 HD1 PHE 64 -11.613 -3.990 -5.835 494 HD2 PHE 64 HD2 PHE 64 -12.707 -1.680 -2.370 495 HE1 PHE 64 HE1 PHE 64 -13.671 -3.219 -7.003 496 HE2 PHE 64 HE2 PHE 64 -14.741 -0.870 -3.556 497 HZ PHE 64 HZ PHE 64 -15.207 -1.643 -5.866 498 H GLU 65 H GLU 65 -12.366 -6.084 -4.409 499 HA GLU 65 HA GLU 65 -14.504 -6.264 -2.486 500 HB2 GLU 65 HB2 GLU 65 -15.678 -7.655 -3.939 501 HB3 GLU 65 HB3 GLU 65 -14.900 -6.406 -4.903 502 HG2 GLU 65 HG2 GLU 65 -13.253 -8.002 -5.728 503 HG3 GLU 65 HG3 GLU 65 -13.822 -9.250 -4.612 504 H GLN 66 H GLN 66 -11.702 -8.390 -2.942 505 HA GLN 66 HA GLN 66 -12.859 -10.479 -1.270 506 HB2 GLN 66 HB2 GLN 66 -10.059 -10.023 -2.386 507 HB3 GLN 66 HB3 GLN 66 -10.479 -11.393 -1.356 508 HG2 GLN 66 HG2 GLN 66 -12.215 -12.107 -2.991 509 HG3 GLN 66 HG3 GLN 66 -11.731 -10.806 -4.073 510 HE21 GLN 66 HE21 GLN 66 -11.593 -13.359 -5.139 511 HE22 GLN 66 HE22 GLN 66 -9.902 -13.870 -5.174 512 H TYR 67 H TYR 67 -10.826 -7.669 -0.565 513 HA TYR 67 HA TYR 67 -10.723 -8.470 2.285 514 HB2 TYR 67 HB2 TYR 67 -9.570 -6.091 0.839 515 HB3 TYR 67 HB3 TYR 67 -9.436 -6.376 2.572 516 HD1 TYR 67 HD1 TYR 67 -8.689 -9.077 3.032 517 HD2 TYR 67 HD2 TYR 67 -7.507 -6.511 -0.228 518 HE1 TYR 67 HE1 TYR 67 -6.619 -10.410 2.732 519 HE2 TYR 67 HE2 TYR 67 -5.378 -7.839 -0.479 520 HH TYR 67 HH TYR 67 -4.702 -10.706 1.505 521 H ASN 68 H ASN 68 -13.269 -8.296 1.292 522 HA ASN 68 HA ASN 68 -15.317 -7.664 1.804 523 HB2 ASN 68 HB2 ASN 68 -14.262 -8.017 4.119 524 HB3 ASN 68 HB3 ASN 68 -14.293 -6.263 4.275 525 HD21 ASN 68 HD21 ASN 68 -15.706 -6.694 6.168 526 HD22 ASN 68 HD22 ASN 68 -17.379 -7.159 5.896 527 H ARG 69 H ARG 69 -13.922 -5.859 0.035 528 HA ARG 69 HA ARG 69 -14.158 -3.875 -1.019 529 HB2 ARG 69 HB2 ARG 69 -16.286 -5.374 -1.266 530 HB3 ARG 69 HB3 ARG 69 -17.102 -4.071 -0.403 531 HG2 ARG 69 HG2 ARG 69 -16.252 -2.472 -2.173 532 HG3 ARG 69 HG3 ARG 69 -15.505 -3.854 -3.000 533 HD2 ARG 69 HD2 ARG 69 -17.751 -4.919 -3.197 534 HD3 ARG 69 HD3 ARG 69 -18.484 -3.490 -2.455 535 HE ARG 69 HE ARG 69 -17.536 -3.817 -5.187 536 HH11 ARG 69 HH11 ARG 69 -18.238 -1.343 -2.708 537 HH12 ARG 69 HH12 ARG 69 -18.508 -0.090 -3.900 538 HH21 ARG 69 HH21 ARG 69 -17.903 -2.166 -6.678 539 HH22 ARG 69 HH22 ARG 69 -18.315 -0.553 -6.138 540 H LEU 70 H LEU 70 -13.219 -3.173 1.431 541 HA LEU 70 HA LEU 70 -14.845 -1.093 2.678 542 HB2 LEU 70 HB2 LEU 70 -12.421 -2.600 3.262 543 HB3 LEU 70 HB3 LEU 70 -12.106 -0.888 3.449 544 HG LEU 70 HG LEU 70 -14.108 -0.712 4.964 545 HD11 LEU 70 HD11 LEU 70 -15.365 -2.723 4.200 546 HD12 LEU 70 HD12 LEU 70 -15.022 -2.803 5.932 547 HD13 LEU 70 HD13 LEU 70 -14.056 -3.763 4.790 548 HD21 LEU 70 HD21 LEU 70 -11.979 -2.729 5.784 549 HD22 LEU 70 HD22 LEU 70 -13.028 -1.810 6.886 550 HD23 LEU 70 HD23 LEU 70 -11.852 -0.953 5.882 551 H ALA 71 H ALA 71 -12.309 -1.145 0.287 552 HA ALA 71 HA ALA 71 -11.493 0.243 -1.207 553 HB1 ALA 71 HB1 ALA 71 -13.799 2.131 -0.682 554 HB2 ALA 71 HB2 ALA 71 -12.747 2.080 -2.110 555 HB3 ALA 71 HB3 ALA 71 -13.843 0.730 -1.774 556 H MET 72 H MET 72 -9.841 1.683 -1.355 557 HA MET 72 HA MET 72 -9.126 3.031 1.213 558 HB2 MET 72 HB2 MET 72 -7.820 1.036 0.707 559 HB3 MET 72 HB3 MET 72 -7.299 1.739 -0.830 560 HG2 MET 72 HG2 MET 72 -6.110 3.522 0.351 561 HG3 MET 72 HG3 MET 72 -6.829 3.023 1.886 562 HE1 MET 72 HE1 MET 72 -3.940 2.442 -0.681 563 HE2 MET 72 HE2 MET 72 -3.421 0.785 -0.317 564 HE3 MET 72 HE3 MET 72 -5.007 1.070 -1.069 565 HA PRO 73 HA PRO 73 -8.726 6.679 -1.432 566 HB2 PRO 73 HB2 PRO 73 -8.445 8.596 0.434 567 HB3 PRO 73 HB3 PRO 73 -9.967 7.675 0.305 568 HG2 PRO 73 HG2 PRO 73 -7.667 7.193 2.222 569 HG3 PRO 73 HG3 PRO 73 -9.416 7.301 2.598 570 HD2 PRO 73 HD2 PRO 73 -8.064 4.921 2.180 571 HD3 PRO 73 HD3 PRO 73 -9.801 5.137 1.819 572 H ASN 74 H ASN 74 -7.126 8.171 -2.076 573 HA ASN 74 HA ASN 74 -4.331 7.947 -1.063 574 HB2 ASN 74 HB2 ASN 74 -4.730 8.329 -3.490 575 HB3 ASN 74 HB3 ASN 74 -5.660 9.774 -3.112 576 HD21 ASN 74 HD21 ASN 74 -3.960 10.431 -4.782 577 HD22 ASN 74 HD22 ASN 74 -2.453 11.086 -4.103 578 H MET 75 H MET 75 -3.434 9.527 0.151 579 HA MET 75 HA MET 75 -5.275 11.271 1.718 580 HB2 MET 75 HB2 MET 75 -2.422 10.621 2.447 581 HB3 MET 75 HB3 MET 75 -3.716 11.255 3.468 582 HG2 MET 75 HG2 MET 75 -3.412 8.460 2.312 583 HG3 MET 75 HG3 MET 75 -3.178 8.927 3.982 584 HE1 MET 75 HE1 MET 75 -5.333 10.251 5.285 585 HE2 MET 75 HE2 MET 75 -6.601 9.031 5.542 586 HE3 MET 75 HE3 MET 75 -4.893 8.594 5.763 587 H ARG 76 H ARG 76 -1.854 11.803 1.135 588 HA ARG 76 HA ARG 76 -2.207 13.840 -0.975 589 HB2 ARG 76 HB2 ARG 76 -0.881 14.398 1.718 590 HB3 ARG 76 HB3 ARG 76 -0.717 15.441 0.312 591 HG2 ARG 76 HG2 ARG 76 -3.326 14.880 1.770 592 HG3 ARG 76 HG3 ARG 76 -2.327 16.311 1.948 593 HD2 ARG 76 HD2 ARG 76 -3.693 15.460 -0.637 594 HD3 ARG 76 HD3 ARG 76 -4.274 16.695 0.477 595 HE ARG 76 HE ARG 76 -2.096 17.901 0.048 596 HH11 ARG 76 HH11 ARG 76 -3.506 15.817 -2.491 597 HH12 ARG 76 HH12 ARG 76 -2.718 16.699 -3.781 598 HH21 ARG 76 HH21 ARG 76 -1.111 18.999 -1.653 599 HH22 ARG 76 HH22 ARG 76 -1.375 18.497 -3.308 600 H LEU 77 H LEU 77 -1.229 11.239 -1.197 601 HA LEU 77 HA LEU 77 1.458 10.867 -0.342 602 HB2 LEU 77 HB2 LEU 77 -0.275 9.319 -2.306 603 HB3 LEU 77 HB3 LEU 77 1.270 8.753 -1.702 604 HG LEU 77 HG LEU 77 -1.145 9.309 0.073 605 HD11 LEU 77 HD11 LEU 77 -1.350 6.862 0.194 606 HD12 LEU 77 HD12 LEU 77 0.008 6.668 -0.933 607 HD13 LEU 77 HD13 LEU 77 -1.505 7.411 -1.481 608 HD21 LEU 77 HD21 LEU 77 0.971 9.491 1.322 609 HD22 LEU 77 HD22 LEU 77 1.515 7.931 0.658 610 HD23 LEU 77 HD23 LEU 77 0.120 8.014 1.758 611 H GLY 78 H GLY 78 2.782 12.491 -1.160 612 HA2 GLY 78 HA2 GLY 78 3.383 12.812 -3.980 613 HA3 GLY 78 HA3 GLY 78 4.398 13.320 -2.626 614 H ASP 79 H ASP 79 5.155 11.988 -5.146 615 HA ASP 79 HA ASP 79 5.668 9.240 -4.932 616 HB2 ASP 79 HB2 ASP 79 7.261 9.565 -6.701 617 HB3 ASP 79 HB3 ASP 79 5.868 10.605 -6.979 618 H ALA 80 H ALA 80 7.616 11.893 -3.529 619 HA ALA 80 HA ALA 80 9.806 10.196 -2.708 620 HB1 ALA 80 HB1 ALA 80 10.421 12.218 -1.377 621 HB2 ALA 80 HB2 ALA 80 10.081 12.580 -3.082 622 HB3 ALA 80 HB3 ALA 80 8.876 12.960 -1.835 623 H GLU 81 H GLU 81 6.692 11.003 -1.189 624 HA GLU 81 HA GLU 81 7.424 9.975 1.462 625 HB2 GLU 81 HB2 GLU 81 4.648 10.363 0.261 626 HB3 GLU 81 HB3 GLU 81 5.030 10.126 1.956 627 HG2 GLU 81 HG2 GLU 81 5.755 12.556 0.274 628 HG3 GLU 81 HG3 GLU 81 4.450 12.449 1.443 629 H VAL 82 H VAL 82 5.685 8.794 -1.413 630 HA VAL 82 HA VAL 82 5.082 6.161 -0.446 631 HB VAL 82 HB VAL 82 5.497 7.205 -3.277 632 HG11 VAL 82 HG11 VAL 82 4.331 4.547 -2.342 633 HG12 VAL 82 HG12 VAL 82 4.207 5.191 -3.992 634 HG13 VAL 82 HG13 VAL 82 5.788 4.776 -3.332 635 HG21 VAL 82 HG21 VAL 82 2.976 6.614 -1.655 636 HG22 VAL 82 HG22 VAL 82 3.596 8.229 -2.062 637 HG23 VAL 82 HG23 VAL 82 3.027 7.163 -3.343 638 H SER 83 H SER 83 7.898 7.334 -2.377 639 HA SER 83 HA SER 83 9.239 4.860 -2.527 640 HB2 SER 83 HB2 SER 83 9.691 7.012 -3.767 641 HB3 SER 83 HB3 SER 83 10.503 7.633 -2.319 642 HG SER 83 HG SER 83 11.806 6.620 -4.007 643 H ALA 84 H ALA 84 9.345 7.236 0.180 644 HA ALA 84 HA ALA 84 11.330 5.752 1.690 645 HB1 ALA 84 HB1 ALA 84 10.585 7.247 3.538 646 HB2 ALA 84 HB2 ALA 84 10.998 8.124 2.054 647 HB3 ALA 84 HB3 ALA 84 9.296 7.870 2.480 648 H LEU 85 H LEU 85 7.712 5.729 1.703 649 HA LEU 85 HA LEU 85 7.387 3.762 3.774 650 HB2 LEU 85 HB2 LEU 85 5.751 4.531 1.335 651 HB3 LEU 85 HB3 LEU 85 5.268 3.195 2.354 652 HG LEU 85 HG LEU 85 5.692 5.995 3.460 653 HD11 LEU 85 HD11 LEU 85 3.194 6.172 3.328 654 HD12 LEU 85 HD12 LEU 85 3.161 4.661 2.395 655 HD13 LEU 85 HD13 LEU 85 3.965 6.107 1.738 656 HD21 LEU 85 HD21 LEU 85 5.667 4.179 5.150 657 HD22 LEU 85 HD22 LEU 85 4.152 3.548 4.469 658 HD23 LEU 85 HD23 LEU 85 4.186 5.138 5.251 659 H ILE 86 H ILE 86 8.204 3.391 0.332 660 HA ILE 86 HA ILE 86 7.800 0.518 0.295 661 HB ILE 86 HB ILE 86 9.532 2.200 -1.573 662 HG12 ILE 86 HG12 ILE 86 7.547 3.101 -2.208 663 HG13 ILE 86 HG13 ILE 86 7.500 1.690 -3.190 664 HG21 ILE 86 HG21 ILE 86 9.303 0.352 -3.159 665 HG22 ILE 86 HG22 ILE 86 10.093 -0.193 -1.688 666 HG23 ILE 86 HG23 ILE 86 8.381 -0.588 -1.963 667 HD11 ILE 86 HD11 ILE 86 5.327 2.009 -2.219 668 HD12 ILE 86 HD12 ILE 86 6.033 0.562 -1.464 669 HD13 ILE 86 HD13 ILE 86 5.975 2.117 -0.589 670 H SER 87 H SER 87 10.747 2.570 0.722 671 HA SER 87 HA SER 87 12.522 0.365 1.193 672 HB2 SER 87 HB2 SER 87 12.613 3.226 2.173 673 HB3 SER 87 HB3 SER 87 13.945 2.057 2.342 674 HG SER 87 HG SER 87 13.845 1.820 0.004 675 H TYR 88 H TYR 88 10.269 2.089 3.441 676 HA TYR 88 HA TYR 88 11.264 0.702 5.789 677 HB2 TYR 88 HB2 TYR 88 10.008 2.582 6.192 678 HB3 TYR 88 HB3 TYR 88 8.739 2.142 5.055 679 HD1 TYR 88 HD1 TYR 88 10.254 0.785 8.254 680 HD2 TYR 88 HD2 TYR 88 6.694 1.536 5.925 681 HE1 TYR 88 HE1 TYR 88 8.842 -0.023 10.134 682 HE2 TYR 88 HE2 TYR 88 5.297 0.717 7.822 683 HH TYR 88 HH TYR 88 6.694 -0.500 10.869 684 H LEU 89 H LEU 89 8.590 -0.205 3.504 685 HA LEU 89 HA LEU 89 8.061 -2.704 4.853 686 HB2 LEU 89 HB2 LEU 89 7.606 -1.960 1.932 687 HB3 LEU 89 HB3 LEU 89 6.930 -3.360 2.761 688 HG LEU 89 HG LEU 89 6.252 -0.439 3.264 689 HD11 LEU 89 HD11 LEU 89 5.212 -1.504 1.295 690 HD12 LEU 89 HD12 LEU 89 4.020 -1.126 2.552 691 HD13 LEU 89 HD13 LEU 89 4.579 -2.802 2.338 692 HD21 LEU 89 HD21 LEU 89 5.325 -2.886 4.792 693 HD22 LEU 89 HD22 LEU 89 4.577 -1.268 4.887 694 HD23 LEU 89 HD23 LEU 89 6.237 -1.497 5.435 695 H GLU 90 H GLU 90 10.307 -1.891 2.215 696 HA GLU 90 HA GLU 90 11.180 -4.525 1.600 697 HB2 GLU 90 HB2 GLU 90 11.529 -2.531 0.193 698 HB3 GLU 90 HB3 GLU 90 12.638 -1.860 1.398 699 HG2 GLU 90 HG2 GLU 90 14.205 -3.726 1.020 700 HG3 GLU 90 HG3 GLU 90 13.079 -4.453 -0.131 701 H GLU 91 H GLU 91 12.443 -2.187 4.027 702 HA GLU 91 HA GLU 91 14.570 -4.063 4.813 703 HB2 GLU 91 HB2 GLU 91 13.885 -1.228 5.664 704 HB3 GLU 91 HB3 GLU 91 15.228 -2.158 6.311 705 HG2 GLU 91 HG2 GLU 91 14.860 -1.374 3.383 706 HG3 GLU 91 HG3 GLU 91 16.006 -0.669 4.522 707 H GLU 92 H GLU 92 11.493 -2.980 6.304 708 HA GLU 92 HA GLU 92 11.988 -4.283 8.833 709 HB2 GLU 92 HB2 GLU 92 10.142 -2.614 8.266 710 HB3 GLU 92 HB3 GLU 92 9.341 -3.897 7.365 711 HG2 GLU 92 HG2 GLU 92 8.254 -3.818 9.452 712 HG3 GLU 92 HG3 GLU 92 9.293 -5.236 9.557 713 H THR 93 H THR 93 10.712 -5.432 5.718 714 HA THR 93 HA THR 93 9.971 -8.085 6.392 715 HB THR 93 HB THR 93 11.027 -6.899 3.809 716 HG1 THR 93 HG1 THR 93 9.141 -6.064 4.119 717 HG21 THR 93 HG21 THR 93 9.954 -8.796 2.652 718 HG22 THR 93 HG22 THR 93 9.693 -9.608 4.220 719 HG23 THR 93 HG23 THR 93 11.336 -9.317 3.609 720 H ALA 94 H ALA 94 13.254 -6.825 5.724 721 HA ALA 94 HA ALA 94 14.415 -9.438 5.410 722 HB1 ALA 94 HB1 ALA 94 15.415 -7.452 4.452 723 HB2 ALA 94 HB2 ALA 94 15.642 -6.731 6.063 724 HB3 ALA 94 HB3 ALA 94 16.548 -8.188 5.597 725 H ARG 95 H ARG 95 13.755 -7.516 8.288 726 HA ARG 95 HA ARG 95 15.360 -9.363 9.995 727 HB2 ARG 95 HB2 ARG 95 14.454 -6.527 10.247 728 HB3 ARG 95 HB3 ARG 95 14.409 -7.484 11.724 729 HG2 ARG 95 HG2 ARG 95 16.548 -6.408 11.623 730 HG3 ARG 95 HG3 ARG 95 16.764 -8.147 11.447 731 HD2 ARG 95 HD2 ARG 95 18.244 -7.014 9.920 732 HD3 ARG 95 HD3 ARG 95 17.009 -7.834 8.966 733 HE ARG 95 HE ARG 95 16.038 -5.251 9.430 734 HH11 ARG 95 HH11 ARG 95 18.863 -6.644 7.768 735 HH12 ARG 95 HH12 ARG 95 19.049 -5.257 6.715 736 HH21 ARG 95 HH21 ARG 95 16.320 -3.492 8.068 737 HH22 ARG 95 HH22 ARG 95 17.613 -3.474 6.888 738 H LEU 96 H LEU 96 12.012 -8.790 9.199 739 HA LEU 96 HA LEU 96 11.040 -10.121 11.624 740 HB2 LEU 96 HB2 LEU 96 9.955 -8.195 10.132 741 HB3 LEU 96 HB3 LEU 96 9.273 -9.520 9.278 742 HG LEU 96 HG LEU 96 7.696 -8.649 10.787 743 HD11 LEU 96 HD11 LEU 96 8.830 -11.171 11.997 744 HD12 LEU 96 HD12 LEU 96 7.762 -11.080 10.581 745 HD13 LEU 96 HD13 LEU 96 7.165 -10.566 12.181 746 HD21 LEU 96 HD21 LEU 96 9.324 -7.527 12.223 747 HD22 LEU 96 HD22 LEU 96 9.734 -9.076 12.989 748 HD23 LEU 96 HD23 LEU 96 8.098 -8.409 13.162 749 H GLN 97 H GLN 97 12.710 -11.804 10.869 750 HA GLN 97 HA GLN 97 11.398 -14.007 9.353 751 HB2 GLN 97 HB2 GLN 97 14.253 -13.014 8.929 752 HB3 GLN 97 HB3 GLN 97 13.480 -14.409 8.166 753 HG2 GLN 97 HG2 GLN 97 11.697 -12.673 7.329 754 HG3 GLN 97 HG3 GLN 97 12.926 -11.469 7.741 755 HE21 GLN 97 HE21 GLN 97 15.050 -11.627 6.509 756 HE22 GLN 97 HE22 GLN 97 14.990 -12.423 4.927 757 H THR 98 H THR 98 10.968 -14.750 11.522 758 HA THR 98 HA THR 98 13.190 -16.483 12.442 759 HB THR 98 HB THR 98 11.400 -15.320 14.575 760 HG1 THR 98 HG1 THR 98 12.311 -13.525 13.817 761 HG21 THR 98 HG21 THR 98 14.277 -16.350 14.581 762 HG22 THR 98 HG22 THR 98 12.867 -17.351 14.953 763 HG23 THR 98 HG23 THR 98 13.265 -15.986 15.999 764 HA PRO 99 HA PRO 99 9.283 -18.981 11.925 765 HB2 PRO 99 HB2 PRO 99 9.922 -20.476 9.771 766 HB3 PRO 99 HB3 PRO 99 9.237 -18.838 9.608 767 HG2 PRO 99 HG2 PRO 99 12.150 -19.647 9.417 768 HG3 PRO 99 HG3 PRO 99 11.214 -18.577 8.327 769 HD2 PRO 99 HD2 PRO 99 12.816 -17.643 10.370 770 HD3 PRO 99 HD3 PRO 99 11.350 -16.792 9.799 771 H VAL 100 H VAL 100 9.757 -20.067 13.817 772 HA VAL 100 HA VAL 100 11.874 -22.149 13.825 773 HB VAL 100 HB VAL 100 12.886 -19.925 14.422 774 HG11 VAL 100 HG11 VAL 100 11.255 -20.168 16.983 775 HG12 VAL 100 HG12 VAL 100 12.529 -18.991 16.654 776 HG13 VAL 100 HG13 VAL 100 11.021 -18.953 15.721 777 HG21 VAL 100 HG21 VAL 100 13.026 -21.983 16.642 778 HG22 VAL 100 HG22 VAL 100 13.919 -22.051 15.105 779 HG23 VAL 100 HG23 VAL 100 14.224 -20.739 16.251 780 H THR 101 H THR 101 11.617 -23.795 15.343 781 HA THR 101 HA THR 101 8.929 -24.060 16.464 782 HB THR 101 HB THR 101 11.256 -25.960 16.876 783 HG1 THR 101 HG1 THR 101 10.121 -27.088 15.135 784 HG21 THR 101 HG21 THR 101 8.233 -26.378 16.898 785 HG22 THR 101 HG22 THR 101 9.258 -26.290 18.345 786 HG23 THR 101 HG23 THR 101 9.477 -27.614 17.199 787 H ASN 102 H ASN 102 12.241 -23.890 17.753 788 HA ASN 102 HA ASN 102 13.175 -23.295 19.691 789 HB2 ASN 102 HB2 ASN 102 12.242 -21.182 18.777 790 HB3 ASN 102 HB3 ASN 102 10.871 -21.324 19.852 791 HD21 ASN 102 HD21 ASN 102 11.957 -19.026 20.073 792 HD22 ASN 102 HD22 ASN 102 13.064 -18.885 21.420 793 H ARG 103 H ARG 103 13.088 -23.085 22.034 794 HA ARG 103 HA ARG 103 10.996 -24.751 23.372 795 HB2 ARG 103 HB2 ARG 103 12.684 -26.015 24.540 796 HB3 ARG 103 HB3 ARG 103 12.935 -26.130 22.800 797 HG2 ARG 103 HG2 ARG 103 14.717 -24.261 23.075 798 HG3 ARG 103 HG3 ARG 103 14.530 -24.488 24.819 799 HD2 ARG 103 HD2 ARG 103 16.413 -25.796 24.126 800 HD3 ARG 103 HD3 ARG 103 15.102 -26.933 24.482 801 HE ARG 103 HE ARG 103 15.226 -26.100 21.691 802 HH11 ARG 103 HH11 ARG 103 16.528 -28.475 24.012 803 HH12 ARG 103 HH12 ARG 103 16.947 -29.621 22.756 804 HH21 ARG 103 HH21 ARG 103 15.786 -27.610 20.104 805 HH22 ARG 103 HH22 ARG 103 16.523 -29.132 20.548 806 H GLY 104 H GLY 104 12.614 -21.822 23.397 807 HA2 GLY 104 HA2 GLY 104 11.877 -20.110 24.966 808 HA3 GLY 104 HA3 GLY 104 11.981 -21.278 26.283 809 H ILE 105 H ILE 105 13.226 -18.861 26.526 810 HA ILE 105 HA ILE 105 16.131 -19.407 26.139 811 HB ILE 105 HB ILE 105 16.614 -17.183 25.687 812 HG12 ILE 105 HG12 ILE 105 13.662 -16.689 25.115 813 HG13 ILE 105 HG13 ILE 105 14.441 -16.201 26.638 814 HG21 ILE 105 HG21 ILE 105 16.035 -17.351 23.313 815 HG22 ILE 105 HG22 ILE 105 16.439 -18.917 23.971 816 HG23 ILE 105 HG23 ILE 105 14.737 -18.513 23.688 817 HD11 ILE 105 HD11 ILE 105 16.169 -15.005 25.408 818 HD12 ILE 105 HD12 ILE 105 15.350 -15.367 23.876 819 HD13 ILE 105 HD13 ILE 105 14.542 -14.340 25.080 820 HA PRO 106 HA PRO 106 16.825 -18.484 30.407 821 HB2 PRO 106 HB2 PRO 106 19.410 -17.225 29.494 822 HB3 PRO 106 HB3 PRO 106 19.137 -18.451 30.770 823 HG2 PRO 106 HG2 PRO 106 20.103 -19.204 28.371 824 HG3 PRO 106 HG3 PRO 106 18.802 -20.169 29.152 825 HD2 PRO 106 HD2 PRO 106 18.524 -18.045 27.002 826 HD3 PRO 106 HD3 PRO 106 17.858 -19.705 27.062 827 HHA HEC 107 HHA HEC 107 -5.519 -3.335 0.682 828 HHB HEC 107 HHB HEC 107 -0.032 -0.040 1.661 829 HHC HEC 107 HHC HEC 107 -3.378 4.293 5.113 830 HHD HEC 107 HHD HEC 107 -8.400 0.265 5.170 831 HMA1 HEC 107 HMA1 HEC 107 -0.474 -2.464 -1.089 832 HMA2 HEC 107 HMA2 HEC 107 0.387 -1.539 0.140 833 HMA3 HEC 107 HMA3 HEC 107 -0.002 -3.242 0.434 834 HAA1 HEC 107 HAA1 HEC 107 -3.658 -4.014 -1.125 835 HAA2 HEC 107 HAA2 HEC 107 -1.991 -4.295 -0.694 836 HBA1 HEC 107 HBA1 HEC 107 -4.426 -5.220 0.826 837 HBA2 HEC 107 HBA2 HEC 107 -3.041 -6.127 0.249 838 HMB1 HEC 107 HMB1 HEC 107 1.548 2.883 3.524 839 HMB2 HEC 107 HMB2 HEC 107 1.451 1.194 3.060 840 HMB3 HEC 107 HMB3 HEC 107 1.167 2.467 1.848 841 HAB HEC 107 HAB HEC 107 -1.472 4.993 4.864 842 HBB1 HEC 107 HBB1 HEC 107 0.657 4.927 2.732 843 HBB2 HEC 107 HBB2 HEC 107 -1.013 5.499 2.542 844 HBB3 HEC 107 HBB3 HEC 107 0.100 6.332 3.644 845 HMC1 HEC 107 HMC1 HEC 107 -6.579 4.944 7.032 846 HMC2 HEC 107 HMC2 HEC 107 -4.835 4.750 7.000 847 HMC3 HEC 107 HMC3 HEC 107 -5.666 5.536 5.641 848 HAC HEC 107 HAC HEC 107 -8.684 1.686 6.611 849 HBC1 HEC 107 HBC1 HEC 107 -9.999 3.674 6.896 850 HBC2 HEC 107 HBC2 HEC 107 -8.679 4.686 6.288 851 HBC3 HEC 107 HBC3 HEC 107 -9.461 3.503 5.215 852 HMD1 HEC 107 HMD1 HEC 107 -9.651 -1.468 4.880 853 HMD2 HEC 107 HMD2 HEC 107 -10.093 -2.294 3.386 854 HMD3 HEC 107 HMD3 HEC 107 -9.240 -3.175 4.662 855 HAD1 HEC 107 HAD1 HEC 107 -7.443 -4.394 1.372 856 HAD2 HEC 107 HAD2 HEC 107 -8.954 -4.046 2.187 857 HBD1 HEC 107 HBD1 HEC 107 -7.975 -2.474 -0.234 858 HBD2 HEC 107 HBD2 HEC 107 -9.071 -3.853 -0.301 Start of MODEL 8 1 H SER 1 H SER 1 14.126 5.550 5.898 2 HA SER 1 HA SER 1 12.648 6.343 8.035 3 HB2 SER 1 HB2 SER 1 12.959 7.957 5.499 4 HB3 SER 1 HB3 SER 1 12.827 8.552 7.167 5 HG SER 1 HG SER 1 14.991 8.534 6.688 6 H GLY 2 H GLY 2 10.961 4.679 5.876 7 HA2 GLY 2 HA2 GLY 2 8.522 6.238 5.542 8 HA3 GLY 2 HA3 GLY 2 8.729 4.529 5.300 9 H GLU 3 H GLU 3 9.908 4.461 8.213 10 HA GLU 3 HA GLU 3 7.708 3.086 9.222 11 HB2 GLU 3 HB2 GLU 3 10.098 2.755 9.764 12 HB3 GLU 3 HB3 GLU 3 10.088 4.221 10.720 13 HG2 GLU 3 HG2 GLU 3 8.519 3.249 12.310 14 HG3 GLU 3 HG3 GLU 3 8.351 1.801 11.312 15 H GLN 4 H GLN 4 8.729 6.408 10.284 16 HA GLN 4 HA GLN 4 6.350 6.690 11.944 17 HB2 GLN 4 HB2 GLN 4 8.462 8.669 11.041 18 HB3 GLN 4 HB3 GLN 4 7.049 9.122 12.014 19 HG2 GLN 4 HG2 GLN 4 7.659 7.364 13.685 20 HG3 GLN 4 HG3 GLN 4 9.156 7.080 12.796 21 HE21 GLN 4 HE21 GLN 4 8.616 8.106 15.612 22 HE22 GLN 4 HE22 GLN 4 9.336 9.704 15.663 23 H ILE 5 H ILE 5 6.877 7.234 8.531 24 HA ILE 5 HA ILE 5 4.517 8.932 8.163 25 HB ILE 5 HB ILE 5 5.879 7.148 6.106 26 HG12 ILE 5 HG12 ILE 5 6.476 10.062 6.790 27 HG13 ILE 5 HG13 ILE 5 7.540 8.685 7.086 28 HG21 ILE 5 HG21 ILE 5 3.586 7.960 5.514 29 HG22 ILE 5 HG22 ILE 5 4.134 9.632 5.770 30 HG23 ILE 5 HG23 ILE 5 4.818 8.639 4.464 31 HD11 ILE 5 HD11 ILE 5 6.777 9.815 4.382 32 HD12 ILE 5 HD12 ILE 5 8.367 9.771 5.152 33 HD13 ILE 5 HD13 ILE 5 7.612 8.259 4.606 34 H PHE 6 H PHE 6 5.211 5.403 8.004 35 HA PHE 6 HA PHE 6 2.510 4.584 7.559 36 HB2 PHE 6 HB2 PHE 6 4.481 3.128 7.255 37 HB3 PHE 6 HB3 PHE 6 4.774 3.137 8.991 38 HD1 PHE 6 HD1 PHE 6 2.461 2.014 6.318 39 HD2 PHE 6 HD2 PHE 6 3.374 1.839 10.526 40 HE1 PHE 6 HE1 PHE 6 0.680 0.308 6.649 41 HE2 PHE 6 HE2 PHE 6 1.630 0.126 10.840 42 HZ PHE 6 HZ PHE 6 0.272 -0.640 8.898 43 H ARG 7 H ARG 7 4.270 5.214 10.604 44 HA ARG 7 HA ARG 7 2.244 4.473 12.426 45 HB2 ARG 7 HB2 ARG 7 4.728 4.975 12.780 46 HB3 ARG 7 HB3 ARG 7 4.286 6.679 12.808 47 HG2 ARG 7 HG2 ARG 7 4.576 5.892 15.038 48 HG3 ARG 7 HG3 ARG 7 2.864 6.250 14.823 49 HD2 ARG 7 HD2 ARG 7 2.341 3.875 14.611 50 HD3 ARG 7 HD3 ARG 7 4.057 3.449 14.558 51 HE ARG 7 HE ARG 7 2.446 4.167 16.907 52 HH11 ARG 7 HH11 ARG 7 5.760 3.625 15.698 53 HH12 ARG 7 HH12 ARG 7 6.412 3.389 17.303 54 HH21 ARG 7 HH21 ARG 7 3.334 3.853 18.955 55 HH22 ARG 7 HH22 ARG 7 5.040 3.519 19.146 56 H THR 8 H THR 8 2.413 7.336 10.458 57 HA THR 8 HA THR 8 0.288 8.716 12.049 58 HB THR 8 HB THR 8 0.999 10.750 10.748 59 HG1 THR 8 HG1 THR 8 3.367 9.322 10.263 60 HG21 THR 8 HG21 THR 8 3.016 11.167 12.092 61 HG22 THR 8 HG22 THR 8 3.126 9.440 12.502 62 HG23 THR 8 HG23 THR 8 1.748 10.408 13.063 63 H ARG 9 H ARG 9 1.060 7.869 8.625 64 HA ARG 9 HA ARG 9 -1.610 8.799 7.796 65 HB2 ARG 9 HB2 ARG 9 0.638 7.564 6.173 66 HB3 ARG 9 HB3 ARG 9 -0.889 8.193 5.534 67 HG2 ARG 9 HG2 ARG 9 -0.313 10.428 6.612 68 HG3 ARG 9 HG3 ARG 9 1.312 9.776 6.917 69 HD2 ARG 9 HD2 ARG 9 1.579 9.339 4.482 70 HD3 ARG 9 HD3 ARG 9 -0.034 9.998 4.181 71 HE ARG 9 HE ARG 9 2.429 11.456 4.652 72 HH11 ARG 9 HH11 ARG 9 -1.126 11.746 4.903 73 HH12 ARG 9 HH12 ARG 9 -1.087 13.490 4.784 74 HH21 ARG 9 HH21 ARG 9 2.418 13.705 4.490 75 HH22 ARG 9 HH22 ARG 9 0.916 14.597 4.553 76 H CYS 10 H CYS 10 -0.211 5.689 8.613 77 HA CYS 10 HA CYS 10 -2.302 4.305 6.970 78 HB2 CYS 10 HB2 CYS 10 0.444 3.341 7.707 79 HB3 CYS 10 HB3 CYS 10 -0.642 2.643 6.516 80 H SER 11 H SER 11 -0.912 4.293 10.203 81 HA SER 11 HA SER 11 -1.529 1.543 10.818 82 HB2 SER 11 HB2 SER 11 -0.838 3.880 12.633 83 HB3 SER 11 HB3 SER 11 -0.900 2.176 13.118 84 HG SER 11 HG SER 11 0.747 3.258 11.053 85 H SER 12 H SER 12 -3.500 4.421 10.885 86 HA SER 12 HA SER 12 -5.635 3.760 12.528 87 HB2 SER 12 HB2 SER 12 -5.704 4.920 9.718 88 HB3 SER 12 HB3 SER 12 -7.072 4.901 10.841 89 HG SER 12 HG SER 12 -6.231 6.779 11.206 90 H CYS 13 H CYS 13 -4.796 2.129 9.486 91 HA CYS 13 HA CYS 13 -7.159 0.308 9.828 92 HB2 CYS 13 HB2 CYS 13 -6.009 1.295 7.218 93 HB3 CYS 13 HB3 CYS 13 -7.395 0.227 7.411 94 H HIS 14 H HIS 14 -3.840 0.292 9.934 95 HA HIS 14 HA HIS 14 -3.617 -2.520 9.011 96 HB2 HIS 14 2HB HIS 14 -1.942 -0.178 8.008 97 HB3 HIS 14 3HB HIS 14 -1.546 -1.865 7.705 98 HD1 HIS 14 1HD HIS 14 -3.905 -3.194 6.495 99 HD2 HIS 14 2HD HIS 14 -2.671 0.744 5.882 100 HE1 HIS 14 1HE HIS 14 -4.806 -2.579 4.215 101 H THR 15 H THR 15 -1.354 -3.166 9.186 102 HA THR 15 HA THR 15 0.481 -1.873 10.991 103 HB THR 15 HB THR 15 1.114 -3.926 12.236 104 HG1 THR 15 HG1 THR 15 -0.289 -5.523 12.500 105 HG21 THR 15 HG21 THR 15 -0.230 -2.118 13.297 106 HG22 THR 15 HG22 THR 15 -0.500 -3.722 13.997 107 HG23 THR 15 HG23 THR 15 -1.702 -3.025 12.889 108 H VAL 16 H VAL 16 2.667 -3.040 10.838 109 HA VAL 16 HA VAL 16 2.925 -4.711 8.333 110 HB VAL 16 HB VAL 16 5.146 -2.962 9.454 111 HG11 VAL 16 HG11 VAL 16 6.177 -3.436 7.271 112 HG12 VAL 16 HG12 VAL 16 5.814 -4.948 8.102 113 HG13 VAL 16 HG13 VAL 16 4.766 -4.389 6.777 114 HG21 VAL 16 HG21 VAL 16 3.540 -1.378 8.668 115 HG22 VAL 16 HG22 VAL 16 4.751 -1.546 7.396 116 HG23 VAL 16 HG23 VAL 16 3.171 -2.344 7.227 117 H GLY 17 H GLY 17 2.676 -6.642 9.248 118 HA2 GLY 17 HA2 GLY 17 3.431 -8.617 10.191 119 HA3 GLY 17 HA3 GLY 17 4.957 -7.812 10.542 120 H ASN 18 H ASN 18 3.535 -5.823 12.325 121 HA ASN 18 HA ASN 18 3.346 -7.171 14.873 122 HB2 ASN 18 HB2 ASN 18 4.077 -4.840 14.548 123 HB3 ASN 18 HB3 ASN 18 2.544 -4.422 13.806 124 HD21 ASN 18 HD21 ASN 18 1.959 -2.792 15.267 125 HD22 ASN 18 HD22 ASN 18 1.764 -3.107 16.974 126 H THR 19 H THR 19 1.782 -8.918 14.520 127 HA THR 19 HA THR 19 -0.967 -8.061 13.739 128 HB THR 19 HB THR 19 -1.341 -10.337 12.980 129 HG1 THR 19 HG1 THR 19 0.962 -11.366 12.660 130 HG21 THR 19 HG21 THR 19 -0.471 -8.599 11.419 131 HG22 THR 19 HG22 THR 19 -0.045 -10.259 10.969 132 HG23 THR 19 HG23 THR 19 1.171 -9.203 11.711 133 H GLU 20 H GLU 20 -2.723 -8.535 14.678 134 HA GLU 20 HA GLU 20 -2.908 -9.639 17.394 135 HB2 GLU 20 HB2 GLU 20 -5.359 -9.225 16.999 136 HB3 GLU 20 HB3 GLU 20 -4.351 -7.802 16.871 137 HG2 GLU 20 HG2 GLU 20 -5.106 -9.348 14.360 138 HG3 GLU 20 HG3 GLU 20 -6.278 -8.288 15.131 139 HA PRO 21 HA PRO 21 -4.260 -13.751 16.028 140 HB2 PRO 21 HB2 PRO 21 -6.073 -14.520 17.917 141 HB3 PRO 21 HB3 PRO 21 -4.315 -14.428 18.227 142 HG2 PRO 21 HG2 PRO 21 -6.443 -12.383 18.904 143 HG3 PRO 21 HG3 PRO 21 -5.121 -12.988 19.948 144 HD2 PRO 21 HD2 PRO 21 -4.954 -10.630 18.574 145 HD3 PRO 21 HD3 PRO 21 -3.530 -11.653 18.873 146 H GLY 22 H GLY 22 -5.826 -14.635 14.758 147 HA2 GLY 22 HA2 GLY 22 -7.619 -14.732 13.312 148 HA3 GLY 22 HA3 GLY 22 -8.525 -13.674 14.383 149 H GLN 23 H GLN 23 -9.352 -12.768 12.306 150 HA GLN 23 HA GLN 23 -7.420 -11.413 10.607 151 HB2 GLN 23 HB2 GLN 23 -9.325 -10.775 9.207 152 HB3 GLN 23 HB3 GLN 23 -9.148 -12.507 9.467 153 HG2 GLN 23 HG2 GLN 23 -11.032 -12.546 11.010 154 HG3 GLN 23 HG3 GLN 23 -11.141 -10.780 10.995 155 HE21 GLN 23 HE21 GLN 23 -12.379 -9.798 9.378 156 HE22 GLN 23 HE22 GLN 23 -13.057 -10.678 8.017 157 HA PRO 24 HA PRO 24 -7.672 -7.401 12.525 158 HB2 PRO 24 HB2 PRO 24 -6.671 -5.790 10.542 159 HB3 PRO 24 HB3 PRO 24 -5.672 -6.924 11.500 160 HG2 PRO 24 HG2 PRO 24 -6.888 -7.367 8.764 161 HG3 PRO 24 HG3 PRO 24 -5.206 -7.670 9.289 162 HD2 PRO 24 HD2 PRO 24 -7.071 -9.657 9.191 163 HD3 PRO 24 HD3 PRO 24 -5.838 -9.607 10.484 164 H GLY 25 H GLY 25 -8.734 -5.348 12.412 165 HA2 GLY 25 HA2 GLY 25 -11.459 -5.810 11.950 166 HA3 GLY 25 HA3 GLY 25 -10.745 -4.289 12.479 167 H ILE 26 H ILE 26 -9.264 -3.795 9.994 168 HA ILE 26 HA ILE 26 -11.567 -3.061 8.200 169 HB ILE 26 HB ILE 26 -9.023 -1.489 8.742 170 HG12 ILE 26 HG12 ILE 26 -11.908 -0.961 9.609 171 HG13 ILE 26 HG13 ILE 26 -10.593 -1.455 10.672 172 HG21 ILE 26 HG21 ILE 26 -11.485 -0.770 7.091 173 HG22 ILE 26 HG22 ILE 26 -10.073 0.266 7.360 174 HG23 ILE 26 HG23 ILE 26 -9.900 -1.204 6.415 175 HD11 ILE 26 HD11 ILE 26 -10.848 1.210 9.253 176 HD12 ILE 26 HD12 ILE 26 -10.877 0.876 10.986 177 HD13 ILE 26 HD13 ILE 26 -9.370 0.665 10.088 178 H GLY 27 H GLY 27 -8.055 -3.898 8.174 179 HA2 GLY 27 HA2 GLY 27 -8.372 -5.458 5.759 180 HA3 GLY 27 HA3 GLY 27 -7.578 -3.916 5.433 181 HA PRO 28 HA PRO 28 -4.901 -7.554 6.940 182 HB2 PRO 28 HB2 PRO 28 -3.313 -8.004 4.756 183 HB3 PRO 28 HB3 PRO 28 -4.990 -8.618 4.875 184 HG2 PRO 28 HG2 PRO 28 -4.056 -6.026 3.571 185 HG3 PRO 28 HG3 PRO 28 -5.029 -7.326 2.823 186 HD2 PRO 28 HD2 PRO 28 -6.263 -5.195 3.893 187 HD3 PRO 28 HD3 PRO 28 -6.915 -6.827 4.228 188 H ASP 29 H ASP 29 -2.701 -7.701 7.569 189 HA ASP 29 HA ASP 29 -1.198 -5.214 7.781 190 HB2 ASP 29 HB2 ASP 29 0.312 -6.370 9.133 191 HB3 ASP 29 HB3 ASP 29 -1.233 -7.135 9.499 192 H LEU 30 H LEU 30 1.030 -4.981 7.025 193 HA LEU 30 HA LEU 30 1.114 -5.785 4.168 194 HB2 LEU 30 HB2 LEU 30 2.553 -3.442 5.375 195 HB3 LEU 30 HB3 LEU 30 2.090 -3.703 3.702 196 HG LEU 30 HG LEU 30 0.227 -3.113 6.032 197 HD11 LEU 30 HD11 LEU 30 1.034 -1.467 3.583 198 HD12 LEU 30 HD12 LEU 30 1.614 -1.213 5.235 199 HD13 LEU 30 HD13 LEU 30 -0.105 -0.958 4.859 200 HD21 LEU 30 HD21 LEU 30 -0.405 -3.423 3.041 201 HD22 LEU 30 HD22 LEU 30 -1.542 -2.827 4.280 202 HD23 LEU 30 HD23 LEU 30 -0.968 -4.490 4.337 203 H LEU 31 H LEU 31 2.634 -7.320 6.487 204 HA LEU 31 HA LEU 31 5.417 -6.783 5.860 205 HB2 LEU 31 HB2 LEU 31 4.710 -7.555 7.963 206 HB3 LEU 31 HB3 LEU 31 4.066 -9.049 7.309 207 HG LEU 31 HG LEU 31 6.109 -9.295 8.625 208 HD11 LEU 31 HD11 LEU 31 6.872 -10.006 5.783 209 HD12 LEU 31 HD12 LEU 31 5.645 -10.886 6.729 210 HD13 LEU 31 HD13 LEU 31 7.313 -10.792 7.297 211 HD21 LEU 31 HD21 LEU 31 8.267 -8.477 7.901 212 HD22 LEU 31 HD22 LEU 31 7.145 -7.133 8.134 213 HD23 LEU 31 HD23 LEU 31 7.550 -7.684 6.487 214 H GLY 32 H GLY 32 6.701 -7.618 4.478 215 HA2 GLY 32 HA2 GLY 32 7.535 -8.622 2.594 216 HA3 GLY 32 HA3 GLY 32 6.524 -10.003 2.963 217 H VAL 33 H VAL 33 4.508 -7.199 2.310 218 HA VAL 33 HA VAL 33 3.564 -8.345 -0.099 219 HB VAL 33 HB VAL 33 2.269 -6.380 -0.385 220 HG11 VAL 33 HG11 VAL 33 0.991 -6.409 1.685 221 HG12 VAL 33 HG12 VAL 33 1.517 -8.032 1.228 222 HG13 VAL 33 HG13 VAL 33 2.350 -7.176 2.535 223 HG21 VAL 33 HG21 VAL 33 3.946 -5.069 1.762 224 HG22 VAL 33 HG22 VAL 33 3.721 -4.551 0.089 225 HG23 VAL 33 HG23 VAL 33 2.369 -4.463 1.221 226 H THR 34 H THR 34 6.266 -6.170 0.397 227 HA THR 34 HA THR 34 6.680 -5.272 -2.303 228 HB THR 34 HB THR 34 9.115 -5.138 -1.404 229 HG1 THR 34 HG1 THR 34 9.425 -5.960 0.469 230 HG21 THR 34 HG21 THR 34 6.870 -3.675 0.035 231 HG22 THR 34 HG22 THR 34 7.662 -3.181 -1.478 232 HG23 THR 34 HG23 THR 34 8.587 -3.206 0.031 233 H ARG 35 H ARG 35 6.981 -8.422 -0.938 234 HA ARG 35 HA ARG 35 8.454 -9.365 -3.368 235 HB2 ARG 35 HB2 ARG 35 8.261 -10.697 -0.646 236 HB3 ARG 35 HB3 ARG 35 9.104 -11.320 -2.072 237 HG2 ARG 35 HG2 ARG 35 10.486 -9.156 -2.051 238 HG3 ARG 35 HG3 ARG 35 9.808 -8.840 -0.447 239 HD2 ARG 35 HD2 ARG 35 11.475 -11.254 -1.280 240 HD3 ARG 35 HD3 ARG 35 12.017 -9.883 -0.301 241 HE ARG 35 HE ARG 35 9.707 -11.357 0.753 242 HH11 ARG 35 HH11 ARG 35 13.262 -11.043 0.839 243 HH12 ARG 35 HH12 ARG 35 13.404 -11.920 2.345 244 HH21 ARG 35 HH21 ARG 35 9.946 -12.496 2.692 245 HH22 ARG 35 HH22 ARG 35 11.530 -12.738 3.392 246 H GLN 36 H GLN 36 5.550 -9.885 -1.372 247 HA GLN 36 HA GLN 36 4.604 -12.077 -3.065 248 HB2 GLN 36 HB2 GLN 36 3.253 -10.495 -0.852 249 HB3 GLN 36 HB3 GLN 36 2.512 -11.848 -1.714 250 HG2 GLN 36 HG2 GLN 36 4.380 -13.334 -0.991 251 HG3 GLN 36 HG3 GLN 36 5.061 -12.001 -0.047 252 HE21 GLN 36 HE21 GLN 36 2.232 -14.227 -0.316 253 HE22 GLN 36 HE22 GLN 36 1.790 -14.029 1.365 254 H ARG 37 H ARG 37 4.152 -8.570 -3.217 255 HA ARG 37 HA ARG 37 2.163 -8.932 -5.422 256 HB2 ARG 37 HB2 ARG 37 2.872 -6.450 -3.820 257 HB3 ARG 37 HB3 ARG 37 1.829 -6.461 -5.228 258 HG2 ARG 37 HG2 ARG 37 1.251 -7.987 -2.655 259 HG3 ARG 37 HG3 ARG 37 0.559 -6.430 -3.124 260 HD2 ARG 37 HD2 ARG 37 -0.387 -7.511 -5.190 261 HD3 ARG 37 HD3 ARG 37 0.185 -9.079 -4.582 262 HE ARG 37 HE ARG 37 -1.405 -7.746 -2.606 263 HH11 ARG 37 HH11 ARG 37 -1.739 -9.562 -5.658 264 HH12 ARG 37 HH12 ARG 37 -3.355 -10.112 -5.274 265 HH21 ARG 37 HH21 ARG 37 -3.498 -8.482 -2.152 266 HH22 ARG 37 HH22 ARG 37 -4.350 -9.501 -3.291 267 H ASP 38 H ASP 38 2.417 -7.706 -7.324 268 HA ASP 38 HA ASP 38 4.997 -7.940 -8.546 269 HB2 ASP 38 HB2 ASP 38 2.402 -6.574 -9.332 270 HB3 ASP 38 HB3 ASP 38 3.817 -6.572 -10.376 271 H ALA 39 H ALA 39 6.705 -6.649 -8.641 272 HA ALA 39 HA ALA 39 6.975 -4.879 -6.545 273 HB1 ALA 39 HB1 ALA 39 8.775 -5.191 -8.983 274 HB2 ALA 39 HB2 ALA 39 9.259 -4.553 -7.398 275 HB3 ALA 39 HB3 ALA 39 8.766 -6.249 -7.553 276 H ASN 40 H ASN 40 6.243 -3.956 -9.902 277 HA ASN 40 HA ASN 40 6.603 -1.084 -9.240 278 HB2 ASN 40 HB2 ASN 40 7.450 -2.000 -11.389 279 HB3 ASN 40 HB3 ASN 40 5.796 -2.403 -11.860 280 HD21 ASN 40 HD21 ASN 40 4.445 -0.758 -12.610 281 HD22 ASN 40 HD22 ASN 40 4.975 0.913 -12.761 282 H TRP 41 H TRP 41 3.961 -3.344 -10.125 283 HA TRP 41 HA TRP 41 1.797 -1.513 -10.136 284 HB2 TRP 41 HB2 TRP 41 1.565 -3.801 -10.933 285 HB3 TRP 41 HB3 TRP 41 1.943 -4.431 -9.333 286 HD1 TRP 41 HD1 TRP 41 -0.940 -3.158 -11.390 287 HE1 TRP 41 HE1 TRP 41 -3.149 -3.256 -10.070 288 HE3 TRP 41 HE3 TRP 41 0.954 -4.539 -6.856 289 HZ2 TRP 41 HZ2 TRP 41 -3.882 -3.430 -7.244 290 HZ3 TRP 41 HZ3 TRP 41 -0.494 -4.561 -4.837 291 HH2 TRP 41 HH2 TRP 41 -2.877 -3.927 -5.012 292 H LEU 42 H LEU 42 3.296 -3.214 -7.358 293 HA LEU 42 HA LEU 42 1.509 -2.375 -5.342 294 HB2 LEU 42 HB2 LEU 42 3.256 -4.093 -5.072 295 HB3 LEU 42 HB3 LEU 42 4.514 -2.883 -5.306 296 HG LEU 42 HG LEU 42 3.792 -1.743 -3.182 297 HD11 LEU 42 HD11 LEU 42 2.008 -4.202 -2.875 298 HD12 LEU 42 HD12 LEU 42 1.455 -2.517 -3.038 299 HD13 LEU 42 HD13 LEU 42 2.371 -3.012 -1.603 300 HD21 LEU 42 HD21 LEU 42 5.635 -3.348 -3.243 301 HD22 LEU 42 HD22 LEU 42 4.495 -4.677 -2.935 302 HD23 LEU 42 HD23 LEU 42 4.767 -3.415 -1.703 303 H VAL 43 H VAL 43 4.250 -0.595 -6.769 304 HA VAL 43 HA VAL 43 4.097 1.576 -4.800 305 HB VAL 43 HB VAL 43 5.658 1.478 -7.408 306 HG11 VAL 43 HG11 VAL 43 5.959 3.215 -4.914 307 HG12 VAL 43 HG12 VAL 43 7.062 3.206 -6.302 308 HG13 VAL 43 HG13 VAL 43 5.403 3.771 -6.511 309 HG21 VAL 43 HG21 VAL 43 6.501 0.734 -4.556 310 HG22 VAL 43 HG22 VAL 43 6.394 -0.357 -5.944 311 HG23 VAL 43 HG23 VAL 43 7.606 0.929 -5.932 312 H ARG 44 H ARG 44 2.885 0.995 -8.115 313 HA ARG 44 HA ARG 44 1.709 3.601 -8.446 314 HB2 ARG 44 HB2 ARG 44 2.169 1.933 -10.245 315 HB3 ARG 44 HB3 ARG 44 0.796 0.971 -9.672 316 HG2 ARG 44 HG2 ARG 44 -0.740 2.834 -10.144 317 HG3 ARG 44 HG3 ARG 44 0.622 3.888 -10.572 318 HD2 ARG 44 HD2 ARG 44 1.198 2.448 -12.466 319 HD3 ARG 44 HD3 ARG 44 -0.074 1.303 -12.028 320 HE ARG 44 HE ARG 44 -0.416 4.048 -13.135 321 HH11 ARG 44 HH11 ARG 44 -1.952 0.953 -12.237 322 HH12 ARG 44 HH12 ARG 44 -3.458 1.360 -13.026 323 HH21 ARG 44 HH21 ARG 44 -2.382 4.528 -14.135 324 HH22 ARG 44 HH22 ARG 44 -3.699 3.379 -14.099 325 H TRP 45 H TRP 45 0.345 0.530 -7.186 326 HA TRP 45 HA TRP 45 -2.226 1.482 -6.426 327 HB2 TRP 45 HB2 TRP 45 -1.708 -0.869 -6.494 328 HB3 TRP 45 HB3 TRP 45 -0.405 -0.685 -5.330 329 HD1 TRP 45 HD1 TRP 45 -0.949 -1.304 -2.982 330 HE1 TRP 45 HE1 TRP 45 -3.056 -1.627 -1.541 331 HE3 TRP 45 HE3 TRP 45 -4.483 0.224 -6.354 332 HZ2 TRP 45 HZ2 TRP 45 -5.916 -1.189 -1.794 333 HZ3 TRP 45 HZ3 TRP 45 -6.885 0.277 -5.718 334 HH2 TRP 45 HH2 TRP 45 -7.602 -0.432 -3.446 335 H LEU 46 H LEU 46 0.873 1.639 -4.620 336 HA LEU 46 HA LEU 46 -0.384 3.090 -2.446 337 HB2 LEU 46 HB2 LEU 46 1.493 1.507 -2.174 338 HB3 LEU 46 HB3 LEU 46 2.557 2.619 -3.031 339 HG LEU 46 HG LEU 46 2.482 4.221 -1.233 340 HD11 LEU 46 HD11 LEU 46 1.155 3.909 0.813 341 HD12 LEU 46 HD12 LEU 46 0.333 2.497 0.079 342 HD13 LEU 46 HD13 LEU 46 0.115 4.137 -0.570 343 HD21 LEU 46 HD21 LEU 46 2.639 1.425 -0.045 344 HD22 LEU 46 HD22 LEU 46 3.356 2.913 0.626 345 HD23 LEU 46 HD23 LEU 46 3.935 2.269 -0.915 346 H LYS 47 H LYS 47 0.158 4.196 -5.489 347 HA LYS 47 HA LYS 47 0.591 7.010 -4.536 348 HB2 LYS 47 HB2 LYS 47 1.232 5.634 -7.160 349 HB3 LYS 47 HB3 LYS 47 1.015 7.387 -7.076 350 HG2 LYS 47 HG2 LYS 47 2.737 7.592 -5.366 351 HG3 LYS 47 HG3 LYS 47 2.963 5.835 -5.338 352 HD2 LYS 47 HD2 LYS 47 3.715 5.909 -7.716 353 HD3 LYS 47 HD3 LYS 47 3.510 7.682 -7.701 354 HE2 LYS 47 HE2 LYS 47 5.096 7.831 -5.786 355 HE3 LYS 47 HE3 LYS 47 5.324 6.077 -5.849 356 HZ1 LYS 47 HZ1 LYS 47 7.091 7.109 -6.987 357 HZ2 LYS 47 HZ2 LYS 47 6.129 8.050 -7.915 358 HZ3 LYS 47 HZ3 LYS 47 6.184 6.420 -8.168 359 H VAL 48 H VAL 48 -1.746 4.965 -6.252 360 HA VAL 48 HA VAL 48 -3.658 7.230 -6.216 361 HB VAL 48 HB VAL 48 -2.009 7.275 -8.218 362 HG11 VAL 48 HG11 VAL 48 -3.915 5.433 -9.633 363 HG12 VAL 48 HG12 VAL 48 -2.389 6.133 -10.176 364 HG13 VAL 48 HG13 VAL 48 -2.381 4.875 -8.925 365 HG21 VAL 48 HG21 VAL 48 -3.835 8.174 -9.700 366 HG22 VAL 48 HG22 VAL 48 -4.946 7.748 -8.365 367 HG23 VAL 48 HG23 VAL 48 -3.623 8.879 -8.090 368 HA PRO 49 HA PRO 49 -5.153 2.734 -5.844 369 HB2 PRO 49 HB2 PRO 49 -6.385 2.781 -3.374 370 HB3 PRO 49 HB3 PRO 49 -4.638 2.511 -3.613 371 HG2 PRO 49 HG2 PRO 49 -6.043 5.130 -2.970 372 HG3 PRO 49 HG3 PRO 49 -4.617 4.418 -2.157 373 HD2 PRO 49 HD2 PRO 49 -4.303 6.301 -4.061 374 HD3 PRO 49 HD3 PRO 49 -3.207 4.893 -4.002 375 H ASP 50 H ASP 50 -7.131 5.593 -4.880 376 HA ASP 50 HA ASP 50 -9.655 4.226 -5.398 377 HB2 ASP 50 HB2 ASP 50 -9.528 5.896 -3.672 378 HB3 ASP 50 HB3 ASP 50 -8.898 7.101 -4.785 379 H GLN 51 H GLN 51 -7.409 6.084 -7.342 380 HA GLN 51 HA GLN 51 -9.248 6.472 -9.588 381 HB2 GLN 51 HB2 GLN 51 -7.188 7.868 -8.974 382 HB3 GLN 51 HB3 GLN 51 -6.229 6.524 -9.639 383 HG2 GLN 51 HG2 GLN 51 -7.377 6.821 -11.821 384 HG3 GLN 51 HG3 GLN 51 -8.295 8.180 -11.144 385 HE21 GLN 51 HE21 GLN 51 -5.499 7.391 -12.882 386 HE22 GLN 51 HE22 GLN 51 -4.571 8.851 -12.528 387 H MET 52 H MET 52 -6.780 4.035 -8.646 388 HA MET 52 HA MET 52 -6.954 2.476 -11.056 389 HB2 MET 52 HB2 MET 52 -5.956 2.015 -8.234 390 HB3 MET 52 HB3 MET 52 -6.113 0.642 -9.343 391 HG2 MET 52 HG2 MET 52 -4.666 1.656 -10.951 392 HG3 MET 52 HG3 MET 52 -4.619 3.178 -10.047 393 HE1 MET 52 HE1 MET 52 -2.432 -0.726 -8.848 394 HE2 MET 52 HE2 MET 52 -4.206 -0.617 -8.809 395 HE3 MET 52 HE3 MET 52 -3.338 -0.492 -10.357 396 H LEU 53 H LEU 53 -8.834 2.303 -7.974 397 HA LEU 53 HA LEU 53 -10.396 0.051 -8.830 398 HB2 LEU 53 HB2 LEU 53 -10.135 0.901 -6.471 399 HB3 LEU 53 HB3 LEU 53 -11.148 2.276 -6.898 400 HG LEU 53 HG LEU 53 -13.008 0.639 -7.460 401 HD11 LEU 53 HD11 LEU 53 -11.124 -1.375 -6.163 402 HD12 LEU 53 HD12 LEU 53 -11.707 -1.399 -7.846 403 HD13 LEU 53 HD13 LEU 53 -12.842 -1.640 -6.519 404 HD21 LEU 53 HD21 LEU 53 -12.901 1.801 -5.276 405 HD22 LEU 53 HD22 LEU 53 -11.892 0.487 -4.627 406 HD23 LEU 53 HD23 LEU 53 -13.571 0.173 -5.108 407 H ALA 54 H ALA 54 -10.893 3.578 -9.241 408 HA ALA 54 HA ALA 54 -13.417 3.331 -10.602 409 HB1 ALA 54 HB1 ALA 54 -13.023 5.729 -11.119 410 HB2 ALA 54 HB2 ALA 54 -12.841 5.330 -9.403 411 HB3 ALA 54 HB3 ALA 54 -11.398 5.580 -10.406 412 H GLU 55 H GLU 55 -10.061 3.270 -11.867 413 HA GLU 55 HA GLU 55 -11.021 3.237 -14.639 414 HB2 GLU 55 HB2 GLU 55 -8.868 3.214 -15.328 415 HB3 GLU 55 HB3 GLU 55 -8.739 4.122 -13.833 416 HG2 GLU 55 HG2 GLU 55 -7.899 2.012 -12.766 417 HG3 GLU 55 HG3 GLU 55 -7.980 1.196 -14.306 418 H LYS 56 H LYS 56 -11.259 1.024 -12.246 419 HA LYS 56 HA LYS 56 -11.290 -1.199 -11.948 420 HB2 LYS 56 HB2 LYS 56 -12.663 -1.005 -14.646 421 HB3 LYS 56 HB3 LYS 56 -12.540 -2.509 -13.719 422 HG2 LYS 56 HG2 LYS 56 -13.545 -1.314 -11.734 423 HG3 LYS 56 HG3 LYS 56 -13.878 0.070 -12.792 424 HD2 LYS 56 HD2 LYS 56 -15.392 -1.262 -14.152 425 HD3 LYS 56 HD3 LYS 56 -14.862 -2.756 -13.353 426 HE2 LYS 56 HE2 LYS 56 -15.707 -1.805 -11.168 427 HE3 LYS 56 HE3 LYS 56 -16.446 -0.482 -12.077 428 HZ1 LYS 56 HZ1 LYS 56 -17.841 -2.101 -13.215 429 HZ2 LYS 56 HZ2 LYS 56 -17.921 -2.466 -11.598 430 HZ3 LYS 56 HZ3 LYS 56 -16.998 -3.351 -12.622 431 H ASP 57 H ASP 57 -8.953 -0.686 -12.090 432 HA ASP 57 HA ASP 57 -7.184 -2.189 -13.811 433 HB2 ASP 57 HB2 ASP 57 -6.367 -0.409 -12.297 434 HB3 ASP 57 HB3 ASP 57 -6.905 -1.337 -10.897 435 HA PRO 58 HA PRO 58 -9.512 -5.612 -12.559 436 HB2 PRO 58 HB2 PRO 58 -8.732 -7.406 -14.369 437 HB3 PRO 58 HB3 PRO 58 -9.426 -5.771 -14.764 438 HG2 PRO 58 HG2 PRO 58 -6.441 -6.364 -14.617 439 HG3 PRO 58 HG3 PRO 58 -7.367 -5.898 -16.100 440 HD2 PRO 58 HD2 PRO 58 -6.238 -4.080 -14.487 441 HD3 PRO 58 HD3 PRO 58 -7.895 -3.810 -15.107 442 H LEU 59 H LEU 59 -6.250 -5.585 -12.037 443 HA LEU 59 HA LEU 59 -6.114 -7.956 -10.273 444 HB2 LEU 59 HB2 LEU 59 -4.153 -6.909 -11.584 445 HB3 LEU 59 HB3 LEU 59 -4.170 -5.614 -10.410 446 HG LEU 59 HG LEU 59 -2.418 -7.201 -9.950 447 HD11 LEU 59 HD11 LEU 59 -2.731 -7.702 -7.643 448 HD12 LEU 59 HD12 LEU 59 -4.492 -7.688 -7.789 449 HD13 LEU 59 HD13 LEU 59 -3.568 -6.176 -7.970 450 HD21 LEU 59 HD21 LEU 59 -2.767 -9.526 -9.386 451 HD22 LEU 59 HD22 LEU 59 -3.455 -9.205 -10.985 452 HD23 LEU 59 HD23 LEU 59 -4.523 -9.367 -9.571 453 H ALA 60 H ALA 60 -6.167 -4.328 -9.788 454 HA ALA 60 HA ALA 60 -6.474 -4.526 -6.967 455 HB1 ALA 60 HB1 ALA 60 -7.409 -2.293 -8.786 456 HB2 ALA 60 HB2 ALA 60 -7.059 -2.210 -7.042 457 HB3 ALA 60 HB3 ALA 60 -5.742 -2.500 -8.207 458 H MET 61 H MET 61 -9.074 -4.084 -9.460 459 HA MET 61 HA MET 61 -11.147 -3.976 -7.460 460 HB2 MET 61 HB2 MET 61 -12.666 -3.817 -9.182 461 HB3 MET 61 HB3 MET 61 -11.269 -2.889 -9.673 462 HG2 MET 61 HG2 MET 61 -10.768 -4.224 -11.434 463 HG3 MET 61 HG3 MET 61 -11.278 -5.714 -10.643 464 HE1 MET 61 HE1 MET 61 -14.323 -4.984 -9.750 465 HE2 MET 61 HE2 MET 61 -15.100 -5.802 -11.126 466 HE3 MET 61 HE3 MET 61 -13.651 -6.507 -10.358 467 H LEU 62 H LEU 62 -9.408 -6.650 -8.580 468 HA LEU 62 HA LEU 62 -11.392 -8.675 -7.763 469 HB2 LEU 62 HB2 LEU 62 -9.902 -9.019 -9.693 470 HB3 LEU 62 HB3 LEU 62 -8.509 -8.718 -8.642 471 HG LEU 62 HG LEU 62 -8.949 -10.754 -7.378 472 HD11 LEU 62 HD11 LEU 62 -11.223 -11.219 -9.358 473 HD12 LEU 62 HD12 LEU 62 -11.402 -10.950 -7.608 474 HD13 LEU 62 HD13 LEU 62 -10.615 -12.417 -8.195 475 HD21 LEU 62 HD21 LEU 62 -7.498 -10.846 -9.354 476 HD22 LEU 62 HD22 LEU 62 -8.904 -11.200 -10.382 477 HD23 LEU 62 HD23 LEU 62 -8.382 -12.373 -9.154 478 H LEU 63 H LEU 63 -8.346 -7.072 -6.539 479 HA LEU 63 HA LEU 63 -8.202 -8.976 -4.313 480 HB2 LEU 63 HB2 LEU 63 -6.204 -8.107 -3.813 481 HB3 LEU 63 HB3 LEU 63 -6.297 -7.721 -5.510 482 HG LEU 63 HG LEU 63 -7.184 -5.365 -4.612 483 HD11 LEU 63 HD11 LEU 63 -6.139 -4.748 -2.468 484 HD12 LEU 63 HD12 LEU 63 -5.571 -6.422 -2.241 485 HD13 LEU 63 HD13 LEU 63 -7.296 -6.057 -2.206 486 HD21 LEU 63 HD21 LEU 63 -5.044 -5.798 -5.818 487 HD22 LEU 63 HD22 LEU 63 -4.277 -6.192 -4.273 488 HD23 LEU 63 HD23 LEU 63 -4.923 -4.551 -4.563 489 H PHE 64 H PHE 64 -9.682 -5.888 -4.847 490 HA PHE 64 HA PHE 64 -10.004 -5.247 -2.036 491 HB2 PHE 64 HB2 PHE 64 -10.404 -3.243 -2.807 492 HB3 PHE 64 HB3 PHE 64 -10.239 -3.828 -4.435 493 HD1 PHE 64 HD2 PHE 64 -12.433 -4.859 -5.523 494 HD2 PHE 64 HD1 PHE 64 -12.391 -2.193 -2.144 495 HE1 PHE 64 HE2 PHE 64 -14.792 -4.261 -5.979 496 HE2 PHE 64 HE1 PHE 64 -14.747 -1.551 -2.631 497 HZ PHE 64 HZ PHE 64 -15.953 -2.591 -4.537 498 H GLU 65 H GLU 65 -12.107 -7.013 -4.278 499 HA GLU 65 HA GLU 65 -14.386 -6.877 -2.537 500 HB2 GLU 65 HB2 GLU 65 -15.387 -8.599 -3.941 501 HB3 GLU 65 HB3 GLU 65 -14.766 -7.224 -4.854 502 HG2 GLU 65 HG2 GLU 65 -12.855 -8.503 -5.613 503 HG3 GLU 65 HG3 GLU 65 -13.278 -9.865 -4.561 504 H GLN 66 H GLN 66 -11.566 -8.922 -2.409 505 HA GLN 66 HA GLN 66 -12.795 -10.852 -0.611 506 HB2 GLN 66 HB2 GLN 66 -10.714 -11.398 -1.863 507 HB3 GLN 66 HB3 GLN 66 -9.869 -10.071 -1.060 508 HG2 GLN 66 HG2 GLN 66 -10.223 -11.225 1.151 509 HG3 GLN 66 HG3 GLN 66 -10.981 -12.570 0.302 510 HE21 GLN 66 HE21 GLN 66 -8.882 -13.069 1.964 511 HE22 GLN 66 HE22 GLN 66 -7.400 -13.370 1.072 512 H TYR 67 H TYR 67 -11.042 -7.782 -0.144 513 HA TYR 67 HA TYR 67 -11.263 -8.055 2.774 514 HB2 TYR 67 HB2 TYR 67 -9.974 -5.953 1.032 515 HB3 TYR 67 HB3 TYR 67 -9.930 -5.978 2.799 516 HD1 TYR 67 HD2 TYR 67 -9.290 -8.486 3.777 517 HD2 TYR 67 HD1 TYR 67 -8.008 -6.818 0.001 518 HE1 TYR 67 HE2 TYR 67 -7.361 -10.042 3.742 519 HE2 TYR 67 HE1 TYR 67 -6.033 -8.347 0.006 520 HH TYR 67 HH TYR 67 -4.840 -9.891 1.210 521 H ASN 68 H ASN 68 -13.615 -8.258 2.188 522 HA ASN 68 HA ASN 68 -15.743 -7.564 2.454 523 HB2 ASN 68 HB2 ASN 68 -14.481 -7.172 4.666 524 HB3 ASN 68 HB3 ASN 68 -14.583 -5.453 4.297 525 HD21 ASN 68 HD21 ASN 68 -15.661 -5.756 6.528 526 HD22 ASN 68 HD22 ASN 68 -17.397 -6.023 6.490 527 H ARG 69 H ARG 69 -14.370 -6.240 0.184 528 HA ARG 69 HA ARG 69 -14.500 -4.493 -1.270 529 HB2 ARG 69 HB2 ARG 69 -17.403 -4.479 -0.370 530 HB3 ARG 69 HB3 ARG 69 -16.790 -3.606 -1.775 531 HG2 ARG 69 HG2 ARG 69 -16.093 -5.641 -2.862 532 HG3 ARG 69 HG3 ARG 69 -16.588 -6.621 -1.457 533 HD2 ARG 69 HD2 ARG 69 -18.927 -5.851 -1.774 534 HD3 ARG 69 HD3 ARG 69 -18.428 -4.912 -3.189 535 HE ARG 69 HE ARG 69 -18.837 -7.794 -2.988 536 HH11 ARG 69 HH11 ARG 69 -17.280 -5.248 -4.942 537 HH12 ARG 69 HH12 ARG 69 -17.206 -6.251 -6.374 538 HH21 ARG 69 HH21 ARG 69 -18.718 -9.053 -4.854 539 HH22 ARG 69 HH22 ARG 69 -18.016 -8.406 -6.322 540 H LEU 70 H LEU 70 -13.501 -3.700 1.340 541 HA LEU 70 HA LEU 70 -14.945 -1.433 2.297 542 HB2 LEU 70 HB2 LEU 70 -13.426 -3.146 3.482 543 HB3 LEU 70 HB3 LEU 70 -12.081 -2.159 2.969 544 HG LEU 70 HG LEU 70 -12.669 -1.805 5.280 545 HD11 LEU 70 HD11 LEU 70 -13.563 0.726 3.884 546 HD12 LEU 70 HD12 LEU 70 -11.864 0.198 3.961 547 HD13 LEU 70 HD13 LEU 70 -12.771 0.560 5.446 548 HD21 LEU 70 HD21 LEU 70 -15.398 -0.803 4.388 549 HD22 LEU 70 HD22 LEU 70 -14.774 -0.884 6.043 550 HD23 LEU 70 HD23 LEU 70 -15.075 -2.379 5.141 551 H ALA 71 H ALA 71 -11.975 -1.594 0.324 552 HA ALA 71 HA ALA 71 -10.930 -0.205 -1.005 553 HB1 ALA 71 HB1 ALA 71 -13.161 0.290 -1.943 554 HB2 ALA 71 HB2 ALA 71 -13.262 1.717 -0.887 555 HB3 ALA 71 HB3 ALA 71 -12.000 1.614 -2.125 556 H MET 72 H MET 72 -9.699 1.702 -1.244 557 HA MET 72 HA MET 72 -9.038 3.079 1.312 558 HB2 MET 72 HB2 MET 72 -7.557 1.246 0.963 559 HB3 MET 72 HB3 MET 72 -7.292 1.670 -0.730 560 HG2 MET 72 HG2 MET 72 -6.003 3.594 -0.147 561 HG3 MET 72 HG3 MET 72 -6.411 3.442 1.571 562 HE1 MET 72 HE1 MET 72 -2.481 2.559 0.628 563 HE2 MET 72 HE2 MET 72 -3.590 3.449 -0.426 564 HE3 MET 72 HE3 MET 72 -3.506 3.849 1.305 565 HA PRO 73 HA PRO 73 -8.831 6.681 -1.493 566 HB2 PRO 73 HB2 PRO 73 -8.705 8.664 0.307 567 HB3 PRO 73 HB3 PRO 73 -10.159 7.626 0.206 568 HG2 PRO 73 HG2 PRO 73 -7.834 7.399 2.146 569 HG3 PRO 73 HG3 PRO 73 -9.586 7.372 2.515 570 HD2 PRO 73 HD2 PRO 73 -8.032 5.095 2.169 571 HD3 PRO 73 HD3 PRO 73 -9.791 5.158 1.843 572 H ASN 74 H ASN 74 -7.325 8.511 -1.929 573 HA ASN 74 HA ASN 74 -4.499 8.007 -1.176 574 HB2 ASN 74 HB2 ASN 74 -5.245 8.328 -3.563 575 HB3 ASN 74 HB3 ASN 74 -5.712 9.971 -3.173 576 HD21 ASN 74 HD21 ASN 74 -3.980 9.726 -5.177 577 HD22 ASN 74 HD22 ASN 74 -2.311 9.924 -4.660 578 H MET 75 H MET 75 -3.269 9.486 -0.025 579 HA MET 75 HA MET 75 -4.763 11.561 1.522 580 HB2 MET 75 HB2 MET 75 -2.118 10.371 2.381 581 HB3 MET 75 HB3 MET 75 -3.248 11.366 3.293 582 HG2 MET 75 HG2 MET 75 -3.671 9.258 4.136 583 HG3 MET 75 HG3 MET 75 -4.931 9.417 2.912 584 HE1 MET 75 HE1 MET 75 -5.543 7.042 2.607 585 HE2 MET 75 HE2 MET 75 -4.421 5.676 2.466 586 HE3 MET 75 HE3 MET 75 -4.513 6.601 3.988 587 H ARG 76 H ARG 76 -1.331 11.176 0.620 588 HA ARG 76 HA ARG 76 -1.402 13.603 -1.016 589 HB2 ARG 76 HB2 ARG 76 -0.696 14.198 1.347 590 HB3 ARG 76 HB3 ARG 76 0.757 13.247 1.102 591 HG2 ARG 76 HG2 ARG 76 -0.113 15.637 -0.587 592 HG3 ARG 76 HG3 ARG 76 1.016 15.707 0.765 593 HD2 ARG 76 HD2 ARG 76 2.562 14.172 -0.454 594 HD3 ARG 76 HD3 ARG 76 1.480 14.220 -1.852 595 HE ARG 76 HE ARG 76 3.299 16.302 -0.935 596 HH11 ARG 76 HH11 ARG 76 0.445 15.656 -2.983 597 HH12 ARG 76 HH12 ARG 76 0.689 17.096 -3.947 598 HH21 ARG 76 HH21 ARG 76 3.566 18.150 -2.210 599 HH22 ARG 76 HH22 ARG 76 2.450 18.502 -3.510 600 H LEU 77 H LEU 77 1.139 11.300 0.211 601 HA LEU 77 HA LEU 77 2.411 9.762 -0.891 602 HB2 LEU 77 HB2 LEU 77 -0.341 9.384 -2.067 603 HB3 LEU 77 HB3 LEU 77 0.965 8.314 -2.497 604 HG LEU 77 HG LEU 77 1.150 7.347 -0.403 605 HD11 LEU 77 HD11 LEU 77 -0.048 8.040 1.633 606 HD12 LEU 77 HD12 LEU 77 -0.612 9.497 0.803 607 HD13 LEU 77 HD13 LEU 77 1.127 9.250 1.120 608 HD21 LEU 77 HD21 LEU 77 -1.074 6.506 0.070 609 HD22 LEU 77 HD22 LEU 77 -0.962 6.791 -1.674 610 HD23 LEU 77 HD23 LEU 77 -1.828 7.943 -0.656 611 H GLY 78 H GLY 78 3.376 11.914 -1.757 612 HA2 GLY 78 HA2 GLY 78 3.678 11.972 -4.702 613 HA3 GLY 78 HA3 GLY 78 4.542 12.966 -3.525 614 H ASP 79 H ASP 79 6.165 11.944 -5.416 615 HA ASP 79 HA ASP 79 6.863 9.225 -5.217 616 HB2 ASP 79 HB2 ASP 79 8.500 11.599 -6.184 617 HB3 ASP 79 HB3 ASP 79 9.065 9.939 -6.270 618 H ALA 80 H ALA 80 8.379 11.978 -3.454 619 HA ALA 80 HA ALA 80 10.435 10.338 -2.293 620 HB1 ALA 80 HB1 ALA 80 10.868 12.311 -0.888 621 HB2 ALA 80 HB2 ALA 80 10.641 12.776 -2.585 622 HB3 ALA 80 HB3 ALA 80 9.339 13.040 -1.408 623 H GLU 81 H GLU 81 7.211 11.383 -1.069 624 HA GLU 81 HA GLU 81 7.399 10.315 1.522 625 HB2 GLU 81 HB2 GLU 81 5.891 12.105 0.571 626 HB3 GLU 81 HB3 GLU 81 4.974 10.850 -0.277 627 HG2 GLU 81 HG2 GLU 81 4.407 9.813 1.841 628 HG3 GLU 81 HG3 GLU 81 5.463 10.956 2.695 629 H VAL 82 H VAL 82 6.014 8.938 -1.509 630 HA VAL 82 HA VAL 82 5.334 6.369 -0.290 631 HB VAL 82 HB VAL 82 5.660 7.220 -3.199 632 HG11 VAL 82 HG11 VAL 82 4.391 5.086 -3.687 633 HG12 VAL 82 HG12 VAL 82 6.051 4.830 -3.144 634 HG13 VAL 82 HG13 VAL 82 4.703 4.580 -2.015 635 HG21 VAL 82 HG21 VAL 82 3.767 8.250 -2.003 636 HG22 VAL 82 HG22 VAL 82 3.172 7.059 -3.155 637 HG23 VAL 82 HG23 VAL 82 3.229 6.654 -1.433 638 H SER 83 H SER 83 8.234 7.588 -2.094 639 HA SER 83 HA SER 83 9.555 5.068 -2.284 640 HB2 SER 83 HB2 SER 83 10.296 6.990 -3.553 641 HB3 SER 83 HB3 SER 83 10.687 7.880 -2.068 642 HG SER 83 HG SER 83 12.490 6.977 -3.078 643 H ALA 84 H ALA 84 9.615 7.481 0.392 644 HA ALA 84 HA ALA 84 11.419 6.025 2.072 645 HB1 ALA 84 HB1 ALA 84 9.130 7.927 2.747 646 HB2 ALA 84 HB2 ALA 84 10.412 7.418 3.870 647 HB3 ALA 84 HB3 ALA 84 10.820 8.379 2.435 648 H LEU 85 H LEU 85 7.873 5.778 1.634 649 HA LEU 85 HA LEU 85 7.409 3.784 3.646 650 HB2 LEU 85 HB2 LEU 85 5.865 5.403 1.983 651 HB3 LEU 85 HB3 LEU 85 5.645 3.837 1.248 652 HG LEU 85 HG LEU 85 3.844 4.248 2.739 653 HD11 LEU 85 HD11 LEU 85 3.916 2.404 4.315 654 HD12 LEU 85 HD12 LEU 85 5.682 2.343 4.230 655 HD13 LEU 85 HD13 LEU 85 4.714 1.918 2.802 656 HD21 LEU 85 HD21 LEU 85 4.054 4.762 5.099 657 HD22 LEU 85 HD22 LEU 85 4.928 5.966 4.139 658 HD23 LEU 85 HD23 LEU 85 5.826 4.699 5.000 659 H ILE 86 H ILE 86 8.364 3.539 0.238 660 HA ILE 86 HA ILE 86 8.054 0.659 -0.053 661 HB ILE 86 HB ILE 86 9.915 2.489 -1.599 662 HG12 ILE 86 HG12 ILE 86 7.858 3.358 -2.217 663 HG13 ILE 86 HG13 ILE 86 8.120 2.151 -3.425 664 HG21 ILE 86 HG21 ILE 86 9.872 0.681 -3.282 665 HG22 ILE 86 HG22 ILE 86 10.554 0.120 -1.764 666 HG23 ILE 86 HG23 ILE 86 8.889 -0.323 -2.189 667 HD11 ILE 86 HD11 ILE 86 6.265 1.925 -1.012 668 HD12 ILE 86 HD12 ILE 86 5.803 2.083 -2.706 669 HD13 ILE 86 HD13 ILE 86 6.588 0.590 -2.141 670 H SER 87 H SER 87 10.827 2.823 0.645 671 HA SER 87 HA SER 87 12.744 0.832 1.248 672 HB2 SER 87 HB2 SER 87 13.263 3.201 0.806 673 HB3 SER 87 HB3 SER 87 12.479 3.666 2.325 674 HG SER 87 HG SER 87 14.678 1.858 2.109 675 H TYR 88 H TYR 88 10.313 2.377 3.472 676 HA TYR 88 HA TYR 88 11.290 0.953 5.773 677 HB2 TYR 88 HB2 TYR 88 9.834 2.772 6.111 678 HB3 TYR 88 HB3 TYR 88 8.564 2.079 5.096 679 HD1 TYR 88 HD1 TYR 88 10.647 0.791 7.979 680 HD2 TYR 88 HD2 TYR 88 6.693 1.525 6.414 681 HE1 TYR 88 HE1 TYR 88 9.658 -0.372 9.930 682 HE2 TYR 88 HE2 TYR 88 5.705 0.397 8.411 683 HH TYR 88 HH TYR 88 7.746 -1.063 10.971 684 H LEU 89 H LEU 89 8.729 -0.019 3.399 685 HA LEU 89 HA LEU 89 8.220 -2.522 4.734 686 HB2 LEU 89 HB2 LEU 89 7.475 -1.264 2.112 687 HB3 LEU 89 HB3 LEU 89 7.379 -3.017 2.231 688 HG LEU 89 HG LEU 89 5.833 -2.960 4.049 689 HD11 LEU 89 HD11 LEU 89 6.521 -1.019 5.337 690 HD12 LEU 89 HD12 LEU 89 4.827 -0.829 4.875 691 HD13 LEU 89 HD13 LEU 89 6.096 0.061 3.998 692 HD21 LEU 89 HD21 LEU 89 5.012 -0.944 1.915 693 HD22 LEU 89 HD22 LEU 89 3.917 -1.922 2.928 694 HD23 LEU 89 HD23 LEU 89 4.967 -2.714 1.740 695 H GLU 90 H GLU 90 10.519 -1.727 2.074 696 HA GLU 90 HA GLU 90 11.448 -4.422 1.710 697 HB2 GLU 90 HB2 GLU 90 12.819 -1.725 1.326 698 HB3 GLU 90 HB3 GLU 90 13.605 -3.267 0.997 699 HG2 GLU 90 HG2 GLU 90 11.703 -3.817 -0.596 700 HG3 GLU 90 HG3 GLU 90 11.172 -2.144 -0.435 701 H GLU 91 H GLU 91 12.727 -1.826 3.894 702 HA GLU 91 HA GLU 91 14.745 -3.620 4.954 703 HB2 GLU 91 HB2 GLU 91 13.834 -0.826 5.716 704 HB3 GLU 91 HB3 GLU 91 15.142 -1.660 6.540 705 HG2 GLU 91 HG2 GLU 91 15.095 -1.116 3.531 706 HG3 GLU 91 HG3 GLU 91 15.920 -0.109 4.715 707 H GLU 92 H GLU 92 11.461 -2.928 5.982 708 HA GLU 92 HA GLU 92 11.721 -4.347 8.541 709 HB2 GLU 92 HB2 GLU 92 9.919 -2.622 7.976 710 HB3 GLU 92 HB3 GLU 92 9.224 -3.807 6.883 711 HG2 GLU 92 HG2 GLU 92 8.019 -3.854 8.967 712 HG3 GLU 92 HG3 GLU 92 8.898 -5.370 8.807 713 H THR 93 H THR 93 10.700 -5.211 5.194 714 HA THR 93 HA THR 93 10.074 -7.956 5.807 715 HB THR 93 HB THR 93 10.885 -6.610 3.208 716 HG1 THR 93 HG1 THR 93 9.031 -5.838 3.743 717 HG21 THR 93 HG21 THR 93 11.271 -8.976 2.957 718 HG22 THR 93 HG22 THR 93 9.792 -8.530 2.102 719 HG23 THR 93 HG23 THR 93 9.688 -9.368 3.677 720 H ALA 94 H ALA 94 13.167 -6.358 5.002 721 HA ALA 94 HA ALA 94 14.748 -8.740 4.961 722 HB1 ALA 94 HB1 ALA 94 16.624 -7.203 5.364 723 HB2 ALA 94 HB2 ALA 94 15.503 -6.556 4.156 724 HB3 ALA 94 HB3 ALA 94 15.490 -5.912 5.814 725 H ARG 95 H ARG 95 13.356 -7.000 7.698 726 HA ARG 95 HA ARG 95 14.918 -8.457 9.714 727 HB2 ARG 95 HB2 ARG 95 14.172 -6.099 10.030 728 HB3 ARG 95 HB3 ARG 95 12.494 -6.663 10.111 729 HG2 ARG 95 HG2 ARG 95 13.032 -8.045 12.088 730 HG3 ARG 95 HG3 ARG 95 14.739 -7.568 11.968 731 HD2 ARG 95 HD2 ARG 95 14.092 -5.198 12.324 732 HD3 ARG 95 HD3 ARG 95 12.393 -5.687 12.474 733 HE ARG 95 HE ARG 95 13.782 -7.240 14.321 734 HH11 ARG 95 HH11 ARG 95 13.277 -3.742 13.834 735 HH12 ARG 95 HH12 ARG 95 13.445 -3.377 15.537 736 HH21 ARG 95 HH21 ARG 95 13.992 -6.718 16.517 737 HH22 ARG 95 HH22 ARG 95 13.845 -5.059 17.053 738 H LEU 96 H LEU 96 11.639 -8.500 8.401 739 HA LEU 96 HA LEU 96 10.047 -10.051 8.158 740 HB2 LEU 96 HB2 LEU 96 12.208 -11.228 7.340 741 HB3 LEU 96 HB3 LEU 96 12.050 -12.227 8.729 742 HG LEU 96 HG LEU 96 11.263 -13.405 6.886 743 HD11 LEU 96 HD11 LEU 96 8.996 -13.921 7.454 744 HD12 LEU 96 HD12 LEU 96 8.793 -12.329 8.226 745 HD13 LEU 96 HD13 LEU 96 9.894 -13.534 8.946 746 HD21 LEU 96 HD21 LEU 96 9.493 -12.551 5.395 747 HD22 LEU 96 HD22 LEU 96 10.963 -11.547 5.396 748 HD23 LEU 96 HD23 LEU 96 9.525 -10.999 6.269 749 H GLN 97 H GLN 97 11.869 -11.189 11.034 750 HA GLN 97 HA GLN 97 10.007 -13.135 11.566 751 HB2 GLN 97 HB2 GLN 97 11.993 -11.867 13.494 752 HB3 GLN 97 HB3 GLN 97 11.136 -13.386 13.777 753 HG2 GLN 97 HG2 GLN 97 12.160 -14.317 11.674 754 HG3 GLN 97 HG3 GLN 97 13.111 -12.840 11.520 755 HE21 GLN 97 HE21 GLN 97 15.055 -12.710 12.700 756 HE22 GLN 97 HE22 GLN 97 15.536 -13.898 13.901 757 H THR 98 H THR 98 10.055 -10.001 13.366 758 HA THR 98 HA THR 98 8.850 -9.327 15.219 759 HB THR 98 HB THR 98 6.471 -10.603 13.880 760 HG1 THR 98 HG1 THR 98 6.942 -9.312 12.379 761 HG21 THR 98 HG21 THR 98 6.771 -8.251 15.795 762 HG22 THR 98 HG22 THR 98 5.941 -9.788 16.110 763 HG23 THR 98 HG23 THR 98 5.279 -8.664 14.925 764 HA PRO 99 HA PRO 99 9.114 -13.550 17.066 765 HB2 PRO 99 HB2 PRO 99 11.246 -13.305 18.705 766 HB3 PRO 99 HB3 PRO 99 11.420 -13.373 16.932 767 HG2 PRO 99 HG2 PRO 99 11.293 -10.876 18.663 768 HG3 PRO 99 HG3 PRO 99 12.554 -11.317 17.462 769 HD2 PRO 99 HD2 PRO 99 10.442 -9.703 16.827 770 HD3 PRO 99 HD3 PRO 99 11.119 -10.873 15.653 771 H VAL 100 H VAL 100 7.075 -11.880 17.751 772 HA VAL 100 HA VAL 100 7.006 -11.498 20.718 773 HB VAL 100 HB VAL 100 6.548 -9.454 18.498 774 HG11 VAL 100 HG11 VAL 100 6.108 -7.817 20.277 775 HG12 VAL 100 HG12 VAL 100 4.911 -9.107 20.346 776 HG13 VAL 100 HG13 VAL 100 6.254 -9.076 21.513 777 HG21 VAL 100 HG21 VAL 100 8.350 -8.182 19.643 778 HG22 VAL 100 HG22 VAL 100 8.628 -9.566 20.721 779 HG23 VAL 100 HG23 VAL 100 8.926 -9.701 18.975 780 H THR 101 H THR 101 4.999 -12.059 21.603 781 HA THR 101 HA THR 101 3.200 -13.403 19.781 782 HB THR 101 HB THR 101 1.935 -14.156 21.642 783 HG1 THR 101 HG1 THR 101 1.808 -12.463 23.000 784 HG21 THR 101 HG21 THR 101 3.620 -15.339 22.909 785 HG22 THR 101 HG22 THR 101 4.874 -14.178 22.430 786 HG23 THR 101 HG23 THR 101 4.130 -15.246 21.214 787 H ASN 102 H ASN 102 2.793 -10.403 21.665 788 HA ASN 102 HA ASN 102 -0.011 -10.153 20.660 789 HB2 ASN 102 HB2 ASN 102 1.407 -8.783 22.985 790 HB3 ASN 102 HB3 ASN 102 -0.305 -8.671 22.599 791 HD21 ASN 102 HD21 ASN 102 0.242 -9.375 25.132 792 HD22 ASN 102 HD22 ASN 102 -0.098 -11.093 25.330 793 H ARG 103 H ARG 103 -0.781 -7.826 20.215 794 HA ARG 103 HA ARG 103 1.098 -6.425 18.489 795 HB2 ARG 103 HB2 ARG 103 -1.717 -5.840 19.416 796 HB3 ARG 103 HB3 ARG 103 -0.726 -4.570 18.693 797 HG2 ARG 103 HG2 ARG 103 -0.297 -6.110 16.716 798 HG3 ARG 103 HG3 ARG 103 -1.494 -7.215 17.406 799 HD2 ARG 103 HD2 ARG 103 -2.480 -5.802 15.660 800 HD3 ARG 103 HD3 ARG 103 -3.222 -5.447 17.233 801 HE ARG 103 HE ARG 103 -1.054 -3.676 16.881 802 HH11 ARG 103 HH11 ARG 103 -4.224 -4.230 15.345 803 HH12 ARG 103 HH12 ARG 103 -4.415 -2.549 14.904 804 HH21 ARG 103 HH21 ARG 103 -1.349 -1.518 16.307 805 HH22 ARG 103 HH22 ARG 103 -2.787 -1.014 15.448 806 H GLY 104 H GLY 104 2.268 -4.695 18.818 807 HA2 GLY 104 HA2 GLY 104 2.120 -3.096 21.336 808 HA3 GLY 104 HA3 GLY 104 3.681 -3.697 20.763 809 H ILE 105 H ILE 105 4.323 -1.437 20.606 810 HA ILE 105 HA ILE 105 4.437 0.665 19.762 811 HB ILE 105 HB ILE 105 5.140 0.718 17.392 812 HG12 ILE 105 HG12 ILE 105 3.862 -1.415 16.681 813 HG13 ILE 105 HG13 ILE 105 5.433 -1.047 16.011 814 HG21 ILE 105 HG21 ILE 105 6.556 -1.160 19.302 815 HG22 ILE 105 HG22 ILE 105 7.279 -0.383 17.880 816 HG23 ILE 105 HG23 ILE 105 6.691 0.608 19.217 817 HD11 ILE 105 HD11 ILE 105 5.171 -3.440 16.487 818 HD12 ILE 105 HD12 ILE 105 6.514 -2.742 17.394 819 HD13 ILE 105 HD13 ILE 105 4.980 -3.102 18.213 820 HA PRO 106 HA PRO 106 0.099 1.239 18.314 821 HB2 PRO 106 HB2 PRO 106 -1.018 2.452 20.437 822 HB3 PRO 106 HB3 PRO 106 -0.664 0.702 20.429 823 HG2 PRO 106 HG2 PRO 106 1.026 2.923 21.642 824 HG3 PRO 106 HG3 PRO 106 0.506 1.392 22.403 825 HD2 PRO 106 HD2 PRO 106 2.952 1.690 21.194 826 HD3 PRO 106 HD3 PRO 106 2.055 0.141 21.206 827 HHA HEC 107 HHA HEC 107 -4.959 -3.440 0.508 828 HHB HEC 107 HHB HEC 107 0.232 0.204 1.735 829 HHC HEC 107 HHC HEC 107 -3.512 4.381 4.977 830 HHD HEC 107 HHD HEC 107 -8.529 0.383 4.258 831 HMA1 HEC 107 HMA1 HEC 107 0.880 -1.973 1.037 832 HMA2 HEC 107 HMA2 HEC 107 0.291 -3.123 -0.153 833 HMA3 HEC 107 HMA3 HEC 107 0.442 -1.411 -0.594 834 HAA1 HEC 107 HAA1 HEC 107 -3.313 -4.047 -0.898 835 HAA2 HEC 107 HAA2 HEC 107 -1.608 -3.847 -1.205 836 HBA1 HEC 107 HBA1 HEC 107 -1.062 -5.001 0.932 837 HBA2 HEC 107 HBA2 HEC 107 -2.789 -5.196 1.263 838 HMB1 HEC 107 HMB1 HEC 107 1.520 3.433 3.221 839 HMB2 HEC 107 HMB2 HEC 107 1.532 1.853 4.006 840 HMB3 HEC 107 HMB3 HEC 107 1.490 1.989 2.239 841 HAB HEC 107 HAB HEC 107 -1.614 5.150 4.904 842 HBB1 HEC 107 HBB1 HEC 107 0.519 5.338 2.780 843 HBB2 HEC 107 HBB2 HEC 107 -1.201 5.695 2.549 844 HBB3 HEC 107 HBB3 HEC 107 -0.236 6.646 3.693 845 HMC1 HEC 107 HMC1 HEC 107 -6.783 4.791 6.801 846 HMC2 HEC 107 HMC2 HEC 107 -5.054 4.893 6.552 847 HMC3 HEC 107 HMC3 HEC 107 -6.172 5.542 5.332 848 HAC HEC 107 HAC HEC 107 -8.916 1.670 5.827 849 HBC1 HEC 107 HBC1 HEC 107 -8.851 4.693 5.884 850 HBC2 HEC 107 HBC2 HEC 107 -9.521 3.684 4.589 851 HBC3 HEC 107 HBC3 HEC 107 -10.234 3.637 6.210 852 HMD1 HEC 107 HMD1 HEC 107 -9.897 -0.981 2.729 853 HMD2 HEC 107 HMD2 HEC 107 -9.830 -2.713 2.479 854 HMD3 HEC 107 HMD3 HEC 107 -9.509 -2.064 4.091 855 HAD1 HEC 107 HAD1 HEC 107 -6.886 -4.548 1.101 856 HAD2 HEC 107 HAD2 HEC 107 -8.515 -4.174 1.604 857 HBD1 HEC 107 HBD1 HEC 107 -7.132 -3.086 -0.881 858 HBD2 HEC 107 HBD2 HEC 107 -8.439 -4.269 -0.821 Start of MODEL 9 1 H SER 1 H SER 1 13.291 7.679 7.577 2 HA SER 1 HA SER 1 10.936 9.261 8.251 3 HB2 SER 1 HB2 SER 1 12.491 8.873 5.679 4 HB3 SER 1 HB3 SER 1 11.015 9.854 5.769 5 HG SER 1 HG SER 1 13.020 11.035 6.120 6 H GLY 2 H GLY 2 11.406 6.309 6.261 7 HA2 GLY 2 HA2 GLY 2 8.746 5.986 5.308 8 HA3 GLY 2 HA3 GLY 2 9.889 4.714 5.647 9 H GLU 3 H GLU 3 10.162 5.004 8.481 10 HA GLU 3 HA GLU 3 7.794 3.780 9.525 11 HB2 GLU 3 HB2 GLU 3 10.131 3.562 10.439 12 HB3 GLU 3 HB3 GLU 3 10.008 5.204 11.064 13 HG2 GLU 3 HG2 GLU 3 8.107 4.567 12.493 14 HG3 GLU 3 HG3 GLU 3 8.107 2.936 11.807 15 H GLN 4 H GLN 4 8.995 7.156 9.823 16 HA GLN 4 HA GLN 4 6.856 8.175 11.432 17 HB2 GLN 4 HB2 GLN 4 8.699 9.478 9.390 18 HB3 GLN 4 HB3 GLN 4 7.615 10.395 10.430 19 HG2 GLN 4 HG2 GLN 4 8.761 9.746 12.420 20 HG3 GLN 4 HG3 GLN 4 9.676 8.486 11.609 21 HE21 GLN 4 HE21 GLN 4 11.032 10.327 13.157 22 HE22 GLN 4 HE22 GLN 4 11.945 11.414 12.102 23 H ILE 5 H ILE 5 7.190 7.851 7.904 24 HA ILE 5 HA ILE 5 4.655 9.041 7.200 25 HB ILE 5 HB ILE 5 6.545 7.151 5.748 26 HG12 ILE 5 HG12 ILE 5 5.993 10.097 5.167 27 HG13 ILE 5 HG13 ILE 5 7.181 9.647 6.370 28 HG21 ILE 5 HG21 ILE 5 4.155 8.695 4.614 29 HG22 ILE 5 HG22 ILE 5 5.308 7.724 3.682 30 HG23 ILE 5 HG23 ILE 5 4.218 6.935 4.819 31 HD11 ILE 5 HD11 ILE 5 7.260 8.858 3.449 32 HD12 ILE 5 HD12 ILE 5 8.301 10.034 4.270 33 HD13 ILE 5 HD13 ILE 5 8.418 8.310 4.671 34 H PHE 6 H PHE 6 5.634 5.582 7.740 35 HA PHE 6 HA PHE 6 3.025 4.518 7.317 36 HB2 PHE 6 HB2 PHE 6 5.104 3.177 7.371 37 HB3 PHE 6 HB3 PHE 6 5.261 3.471 9.098 38 HD1 PHE 6 HD1 PHE 6 3.020 1.957 6.505 39 HD2 PHE 6 HD2 PHE 6 4.089 2.083 10.679 40 HE1 PHE 6 HE1 PHE 6 1.454 0.081 6.968 41 HE2 PHE 6 HE2 PHE 6 2.541 0.195 11.131 42 HZ PHE 6 HZ PHE 6 1.206 -0.791 9.280 43 H ARG 7 H ARG 7 4.492 5.857 10.307 44 HA ARG 7 HA ARG 7 2.322 5.285 12.060 45 HB2 ARG 7 HB2 ARG 7 4.677 6.153 12.627 46 HB3 ARG 7 HB3 ARG 7 4.111 7.754 12.158 47 HG2 ARG 7 HG2 ARG 7 3.877 7.661 14.522 48 HG3 ARG 7 HG3 ARG 7 2.231 7.453 13.903 49 HD2 ARG 7 HD2 ARG 7 2.645 4.919 14.045 50 HD3 ARG 7 HD3 ARG 7 4.157 5.302 14.877 51 HE ARG 7 HE ARG 7 1.981 6.609 16.192 52 HH11 ARG 7 HH11 ARG 7 3.333 3.397 15.575 53 HH12 ARG 7 HH12 ARG 7 2.607 2.665 16.984 54 HH21 ARG 7 HH21 ARG 7 1.004 5.637 18.046 55 HH22 ARG 7 HH22 ARG 7 1.278 3.945 18.397 56 H THR 8 H THR 8 2.954 8.190 10.069 57 HA THR 8 HA THR 8 0.544 9.512 11.041 58 HB THR 8 HB THR 8 1.273 11.341 9.459 59 HG1 THR 8 HG1 THR 8 3.662 9.864 9.228 60 HG21 THR 8 HG21 THR 8 3.331 11.911 10.705 61 HG22 THR 8 HG22 THR 8 3.350 10.292 11.438 62 HG23 THR 8 HG23 THR 8 2.012 11.409 11.776 63 H ARG 9 H ARG 9 1.275 7.786 8.050 64 HA ARG 9 HA ARG 9 -1.306 8.690 6.873 65 HB2 ARG 9 HB2 ARG 9 0.939 7.057 5.665 66 HB3 ARG 9 HB3 ARG 9 -0.476 7.687 4.823 67 HG2 ARG 9 HG2 ARG 9 1.710 9.398 6.082 68 HG3 ARG 9 HG3 ARG 9 1.579 8.955 4.381 69 HD2 ARG 9 HD2 ARG 9 -0.693 10.074 4.331 70 HD3 ARG 9 HD3 ARG 9 -0.353 10.682 5.967 71 HE ARG 9 HE ARG 9 1.786 11.229 4.090 72 HH11 ARG 9 HH11 ARG 9 -1.371 12.463 5.189 73 HH12 ARG 9 HH12 ARG 9 -1.042 14.089 4.633 74 HH21 ARG 9 HH21 ARG 9 2.173 13.328 3.386 75 HH22 ARG 9 HH22 ARG 9 0.972 14.582 3.611 76 H CYS 10 H CYS 10 0.208 5.660 7.988 77 HA CYS 10 HA CYS 10 -2.005 4.124 6.699 78 HB2 CYS 10 HB2 CYS 10 0.783 3.202 7.366 79 HB3 CYS 10 HB3 CYS 10 -0.367 2.431 6.280 80 H SER 11 H SER 11 -0.691 4.611 9.858 81 HA SER 11 HA SER 11 -0.985 1.886 10.839 82 HB2 SER 11 HB2 SER 11 -0.418 4.548 12.182 83 HB3 SER 11 HB3 SER 11 -0.524 3.013 13.055 84 HG SER 11 HG SER 11 1.216 3.560 10.867 85 H SER 12 H SER 12 -3.290 4.454 10.458 86 HA SER 12 HA SER 12 -5.146 3.564 12.492 87 HB2 SER 12 HB2 SER 12 -6.705 5.081 11.495 88 HB3 SER 12 HB3 SER 12 -5.113 5.850 11.534 89 HG SER 12 HG SER 12 -5.989 6.208 9.522 90 H CYS 13 H CYS 13 -4.223 1.925 9.709 91 HA CYS 13 HA CYS 13 -6.686 0.248 9.820 92 HB2 CYS 13 HB2 CYS 13 -5.391 1.317 7.305 93 HB3 CYS 13 HB3 CYS 13 -6.649 0.091 7.342 94 H HIS 14 H HIS 14 -3.271 0.164 9.828 95 HA HIS 14 HA HIS 14 -3.221 -2.678 8.935 96 HB2 HIS 14 2HB HIS 14 -1.530 -0.379 7.886 97 HB3 HIS 14 3HB HIS 14 -1.069 -2.049 7.655 98 HD1 HIS 14 1HD HIS 14 -3.528 -3.494 6.590 99 HD2 HIS 14 2HD HIS 14 -2.258 0.373 5.664 100 HE1 HIS 14 1HE HIS 14 -4.493 -3.013 4.290 101 H THR 15 H THR 15 -1.062 -3.511 9.045 102 HA THR 15 HA THR 15 0.859 -2.547 11.015 103 HB THR 15 HB THR 15 1.268 -4.756 12.037 104 HG1 THR 15 HG1 THR 15 -1.268 -5.498 11.024 105 HG21 THR 15 HG21 THR 15 -0.567 -4.775 13.648 106 HG22 THR 15 HG22 THR 15 -1.515 -3.710 12.589 107 HG23 THR 15 HG23 THR 15 -0.008 -3.125 13.315 108 H VAL 16 H VAL 16 2.960 -3.870 10.745 109 HA VAL 16 HA VAL 16 3.133 -5.186 8.031 110 HB VAL 16 HB VAL 16 5.410 -3.765 9.451 111 HG11 VAL 16 HG11 VAL 16 6.546 -4.095 7.266 112 HG12 VAL 16 HG12 VAL 16 6.125 -5.642 7.999 113 HG13 VAL 16 HG13 VAL 16 5.143 -4.996 6.662 114 HG21 VAL 16 HG21 VAL 16 5.226 -2.123 7.576 115 HG22 VAL 16 HG22 VAL 16 3.694 -2.884 7.085 116 HG23 VAL 16 HG23 VAL 16 3.832 -2.077 8.655 117 H GLY 17 H GLY 17 2.731 -7.232 8.541 118 HA2 GLY 17 HA2 GLY 17 3.118 -9.370 9.321 119 HA3 GLY 17 HA3 GLY 17 4.568 -8.799 10.143 120 H ASN 18 H ASN 18 3.279 -6.841 11.820 121 HA ASN 18 HA ASN 18 3.315 -8.332 14.016 122 HB2 ASN 18 HB2 ASN 18 3.154 -5.649 13.550 123 HB3 ASN 18 HB3 ASN 18 1.625 -5.902 14.387 124 HD21 ASN 18 HD21 ASN 18 2.237 -7.792 16.384 125 HD22 ASN 18 HD22 ASN 18 3.533 -7.088 17.353 126 H THR 19 H THR 19 0.178 -7.522 12.483 127 HA THR 19 HA THR 19 -1.927 -8.359 12.829 128 HB THR 19 HB THR 19 -0.471 -10.974 13.312 129 HG1 THR 19 HG1 THR 19 0.450 -9.953 11.575 130 HG21 THR 19 HG21 THR 19 -2.947 -11.175 13.382 131 HG22 THR 19 HG22 THR 19 -2.305 -11.908 11.915 132 HG23 THR 19 HG23 THR 19 -3.073 -10.308 11.848 133 H GLU 20 H GLU 20 -1.711 -6.986 14.954 134 HA GLU 20 HA GLU 20 -1.896 -8.584 17.428 135 HB2 GLU 20 HB2 GLU 20 -2.028 -5.599 16.958 136 HB3 GLU 20 HB3 GLU 20 -2.026 -6.373 18.543 137 HG2 GLU 20 HG2 GLU 20 0.251 -6.629 16.523 138 HG3 GLU 20 HG3 GLU 20 0.170 -5.389 17.758 139 HA PRO 21 HA PRO 21 -6.246 -8.833 17.179 140 HB2 PRO 21 HB2 PRO 21 -7.021 -9.490 19.705 141 HB3 PRO 21 HB3 PRO 21 -6.026 -10.553 18.664 142 HG2 PRO 21 HG2 PRO 21 -5.093 -8.691 20.865 143 HG3 PRO 21 HG3 PRO 21 -4.603 -10.383 20.571 144 HD2 PRO 21 HD2 PRO 21 -3.104 -8.254 19.721 145 HD3 PRO 21 HD3 PRO 21 -3.187 -9.797 18.818 146 H GLY 22 H GLY 22 -7.574 -7.223 16.717 147 HA2 GLY 22 HA2 GLY 22 -9.067 -5.508 16.966 148 HA3 GLY 22 HA3 GLY 22 -8.776 -5.516 18.704 149 H GLN 23 H GLN 23 -5.752 -5.019 17.766 150 HA GLN 23 HA GLN 23 -5.817 -2.185 18.262 151 HB2 GLN 23 HB2 GLN 23 -3.469 -3.858 17.316 152 HB3 GLN 23 HB3 GLN 23 -3.385 -2.278 18.060 153 HG2 GLN 23 HG2 GLN 23 -4.450 -4.770 19.462 154 HG3 GLN 23 HG3 GLN 23 -2.798 -4.212 19.536 155 HE21 GLN 23 HE21 GLN 23 -3.781 -4.494 21.879 156 HE22 GLN 23 HE22 GLN 23 -4.129 -2.934 22.629 157 HA PRO 24 HA PRO 24 -4.053 -1.677 13.892 158 HB2 PRO 24 HB2 PRO 24 -5.421 -3.778 12.220 159 HB3 PRO 24 HB3 PRO 24 -3.738 -3.186 12.126 160 HG2 PRO 24 HG2 PRO 24 -4.295 -5.582 13.280 161 HG3 PRO 24 HG3 PRO 24 -3.126 -4.473 14.078 162 HD2 PRO 24 HD2 PRO 24 -6.073 -4.830 14.686 163 HD3 PRO 24 HD3 PRO 24 -4.668 -4.837 15.788 164 H GLY 25 H GLY 25 -7.153 -1.518 14.748 165 HA2 GLY 25 HA2 GLY 25 -9.047 -0.391 13.962 166 HA3 GLY 25 HA3 GLY 25 -8.037 0.324 12.709 167 H ILE 26 H ILE 26 -8.253 -0.385 10.703 168 HA ILE 26 HA ILE 26 -10.684 -1.789 10.150 169 HB ILE 26 HB ILE 26 -8.680 -0.185 8.619 170 HG12 ILE 26 HG12 ILE 26 -10.652 1.140 7.981 171 HG13 ILE 26 HG13 ILE 26 -11.716 -0.006 8.788 172 HG21 ILE 26 HG21 ILE 26 -9.002 -1.869 6.952 173 HG22 ILE 26 HG22 ILE 26 -10.753 -1.893 7.250 174 HG23 ILE 26 HG23 ILE 26 -9.997 -0.484 6.494 175 HD11 ILE 26 HD11 ILE 26 -11.320 2.092 10.073 176 HD12 ILE 26 HD12 ILE 26 -10.819 0.653 10.972 177 HD13 ILE 26 HD13 ILE 26 -9.596 1.685 10.185 178 H GLY 27 H GLY 27 -7.275 -2.795 9.480 179 HA2 GLY 27 HA2 GLY 27 -8.331 -5.276 8.179 180 HA3 GLY 27 HA3 GLY 27 -7.455 -4.062 7.264 181 HA PRO 28 HA PRO 28 -4.696 -7.423 8.797 182 HB2 PRO 28 HB2 PRO 28 -4.029 -8.662 6.500 183 HB3 PRO 28 HB3 PRO 28 -5.689 -8.776 7.159 184 HG2 PRO 28 HG2 PRO 28 -4.661 -6.852 5.044 185 HG3 PRO 28 HG3 PRO 28 -6.080 -7.939 4.931 186 HD2 PRO 28 HD2 PRO 28 -6.304 -5.320 5.691 187 HD3 PRO 28 HD3 PRO 28 -7.351 -6.598 6.376 188 H ASP 29 H ASP 29 -2.429 -8.111 8.189 189 HA ASP 29 HA ASP 29 -0.770 -5.778 8.229 190 HB2 ASP 29 HB2 ASP 29 0.874 -7.137 9.000 191 HB3 ASP 29 HB3 ASP 29 -0.534 -8.032 9.519 192 H LEU 30 H LEU 30 1.217 -5.488 6.984 193 HA LEU 30 HA LEU 30 0.920 -6.090 4.081 194 HB2 LEU 30 HB2 LEU 30 2.383 -3.806 5.440 195 HB3 LEU 30 HB3 LEU 30 2.068 -3.973 3.717 196 HG LEU 30 HG LEU 30 -0.023 -3.528 5.886 197 HD11 LEU 30 HD11 LEU 30 1.438 -1.588 5.358 198 HD12 LEU 30 HD12 LEU 30 -0.234 -1.311 4.854 199 HD13 LEU 30 HD13 LEU 30 1.005 -1.732 3.644 200 HD21 LEU 30 HD21 LEU 30 -1.067 -4.802 4.110 201 HD22 LEU 30 HD22 LEU 30 -0.269 -3.839 2.856 202 HD23 LEU 30 HD23 LEU 30 -1.538 -3.125 3.876 203 H LEU 31 H LEU 31 2.649 -7.722 6.167 204 HA LEU 31 HA LEU 31 5.400 -7.338 5.199 205 HB2 LEU 31 HB2 LEU 31 4.944 -7.987 7.408 206 HB3 LEU 31 HB3 LEU 31 4.189 -9.501 6.899 207 HG LEU 31 HG LEU 31 6.956 -8.908 5.904 208 HD11 LEU 31 HD11 LEU 31 7.103 -8.133 8.180 209 HD12 LEU 31 HD12 LEU 31 8.008 -9.647 7.986 210 HD13 LEU 31 HD13 LEU 31 6.421 -9.668 8.784 211 HD21 LEU 31 HD21 LEU 31 7.307 -11.298 6.311 212 HD22 LEU 31 HD22 LEU 31 5.862 -11.030 5.324 213 HD23 LEU 31 HD23 LEU 31 5.699 -11.411 7.047 214 H GLY 32 H GLY 32 6.461 -8.466 3.739 215 HA2 GLY 32 HA2 GLY 32 6.982 -9.827 1.948 216 HA3 GLY 32 HA3 GLY 32 5.709 -10.915 2.490 217 H VAL 33 H VAL 33 3.413 -9.014 1.927 218 HA VAL 33 HA VAL 33 2.927 -9.561 -0.759 219 HB VAL 33 HB VAL 33 1.156 -7.976 -0.664 220 HG11 VAL 33 HG11 VAL 33 0.829 -10.143 0.425 221 HG12 VAL 33 HG12 VAL 33 1.326 -9.432 1.980 222 HG13 VAL 33 HG13 VAL 33 -0.142 -8.853 1.155 223 HG21 VAL 33 HG21 VAL 33 2.104 -6.059 0.522 224 HG22 VAL 33 HG22 VAL 33 0.642 -6.611 1.331 225 HG23 VAL 33 HG23 VAL 33 2.223 -7.031 2.013 226 H THR 34 H THR 34 4.544 -6.750 0.605 227 HA THR 34 HA THR 34 4.762 -5.090 -1.635 228 HB THR 34 HB THR 34 5.459 -4.737 0.819 229 HG1 THR 34 HG1 THR 34 7.385 -3.554 -0.759 230 HG21 THR 34 HG21 THR 34 7.785 -4.919 1.378 231 HG22 THR 34 HG22 THR 34 8.197 -5.579 -0.211 232 HG23 THR 34 HG23 THR 34 7.204 -6.524 0.927 233 H ARG 35 H ARG 35 6.362 -8.156 -1.181 234 HA ARG 35 HA ARG 35 7.987 -7.634 -3.625 235 HB2 ARG 35 HB2 ARG 35 9.655 -9.128 -2.966 236 HB3 ARG 35 HB3 ARG 35 9.427 -7.926 -1.700 237 HG2 ARG 35 HG2 ARG 35 8.187 -9.570 -0.335 238 HG3 ARG 35 HG3 ARG 35 8.380 -10.798 -1.601 239 HD2 ARG 35 HD2 ARG 35 10.616 -9.424 -0.051 240 HD3 ARG 35 HD3 ARG 35 10.017 -11.064 0.237 241 HE ARG 35 HE ARG 35 10.719 -11.111 -2.416 242 HH11 ARG 35 HH11 ARG 35 12.516 -10.257 0.545 243 HH12 ARG 35 HH12 ARG 35 14.063 -10.690 -0.149 244 HH21 ARG 35 HH21 ARG 35 12.745 -11.650 -3.271 245 HH22 ARG 35 HH22 ARG 35 14.192 -11.475 -2.303 246 H GLN 36 H GLN 36 5.611 -9.771 -2.187 247 HA GLN 36 HA GLN 36 5.780 -11.748 -4.326 248 HB2 GLN 36 HB2 GLN 36 3.806 -11.271 -2.070 249 HB3 GLN 36 HB3 GLN 36 3.577 -12.540 -3.270 250 HG2 GLN 36 HG2 GLN 36 6.016 -12.282 -1.465 251 HG3 GLN 36 HG3 GLN 36 4.662 -13.365 -1.186 252 HE21 GLN 36 HE21 GLN 36 7.514 -14.016 -1.605 253 HE22 GLN 36 HE22 GLN 36 7.617 -14.980 -3.086 254 H ARG 37 H ARG 37 3.748 -8.829 -3.851 255 HA ARG 37 HA ARG 37 2.396 -9.407 -6.442 256 HB2 ARG 37 HB2 ARG 37 1.921 -7.093 -4.549 257 HB3 ARG 37 HB3 ARG 37 1.086 -7.415 -6.075 258 HG2 ARG 37 HG2 ARG 37 0.631 -9.808 -4.961 259 HG3 ARG 37 HG3 ARG 37 0.909 -8.908 -3.463 260 HD2 ARG 37 HD2 ARG 37 -0.853 -7.238 -4.348 261 HD3 ARG 37 HD3 ARG 37 -1.210 -8.419 -5.603 262 HE ARG 37 HE ARG 37 -1.742 -8.613 -2.701 263 HH11 ARG 37 HH11 ARG 37 -1.942 -10.309 -5.837 264 HH12 ARG 37 HH12 ARG 37 -3.096 -11.476 -5.233 265 HH21 ARG 37 HH21 ARG 37 -3.226 -10.128 -1.982 266 HH22 ARG 37 HH22 ARG 37 -3.824 -11.373 -3.057 267 H ASP 38 H ASP 38 2.411 -7.698 -8.102 268 HA ASP 38 HA ASP 38 5.085 -7.685 -8.964 269 HB2 ASP 38 HB2 ASP 38 2.552 -6.521 -10.142 270 HB3 ASP 38 HB3 ASP 38 4.110 -6.466 -10.977 271 H ALA 39 H ALA 39 6.611 -6.180 -9.565 272 HA ALA 39 HA ALA 39 6.975 -4.517 -7.322 273 HB1 ALA 39 HB1 ALA 39 8.719 -4.811 -9.793 274 HB2 ALA 39 HB2 ALA 39 9.223 -4.257 -8.186 275 HB3 ALA 39 HB3 ALA 39 8.698 -5.941 -8.407 276 H ASN 40 H ASN 40 5.924 -3.518 -10.502 277 HA ASN 40 HA ASN 40 6.331 -0.664 -9.710 278 HB2 ASN 40 HB2 ASN 40 5.677 -1.918 -12.398 279 HB3 ASN 40 HB3 ASN 40 5.443 -0.212 -12.060 280 HD21 ASN 40 HD21 ASN 40 6.956 -0.489 -14.082 281 HD22 ASN 40 HD22 ASN 40 8.666 -0.297 -13.683 282 H TRP 41 H TRP 41 3.810 -3.038 -10.651 283 HA TRP 41 HA TRP 41 1.481 -1.566 -10.390 284 HB2 TRP 41 HB2 TRP 41 1.587 -3.935 -11.050 285 HB3 TRP 41 HB3 TRP 41 2.038 -4.394 -9.411 286 HD1 TRP 41 HD1 TRP 41 -0.931 -3.350 -11.513 287 HE1 TRP 41 HE1 TRP 41 -3.122 -3.711 -10.261 288 HE3 TRP 41 HE3 TRP 41 0.980 -4.608 -6.905 289 HZ2 TRP 41 HZ2 TRP 41 -3.942 -4.317 -7.547 290 HZ3 TRP 41 HZ3 TRP 41 -0.560 -4.976 -4.969 291 HH2 TRP 41 HH2 TRP 41 -3.005 -4.829 -5.292 292 H LEU 42 H LEU 42 3.191 -3.173 -7.681 293 HA LEU 42 HA LEU 42 1.495 -2.479 -5.567 294 HB2 LEU 42 HB2 LEU 42 3.320 -4.112 -5.553 295 HB3 LEU 42 HB3 LEU 42 4.525 -2.857 -5.714 296 HG LEU 42 HG LEU 42 4.314 -3.963 -3.498 297 HD11 LEU 42 HD11 LEU 42 4.721 -2.050 -2.144 298 HD12 LEU 42 HD12 LEU 42 3.885 -0.968 -3.263 299 HD13 LEU 42 HD13 LEU 42 5.410 -1.749 -3.740 300 HD21 LEU 42 HD21 LEU 42 1.845 -4.089 -3.376 301 HD22 LEU 42 HD22 LEU 42 1.780 -2.324 -3.140 302 HD23 LEU 42 HD23 LEU 42 2.580 -3.368 -1.939 303 H VAL 43 H VAL 43 4.063 -0.531 -7.056 304 HA VAL 43 HA VAL 43 3.959 1.532 -5.005 305 HB VAL 43 HB VAL 43 5.423 1.651 -7.663 306 HG11 VAL 43 HG11 VAL 43 6.940 3.172 -6.414 307 HG12 VAL 43 HG12 VAL 43 5.300 3.817 -6.478 308 HG13 VAL 43 HG13 VAL 43 5.890 3.051 -4.988 309 HG21 VAL 43 HG21 VAL 43 7.412 0.878 -6.275 310 HG22 VAL 43 HG22 VAL 43 6.267 0.435 -4.992 311 HG23 VAL 43 HG23 VAL 43 6.196 -0.366 -6.568 312 H ARG 44 H ARG 44 2.517 1.115 -8.227 313 HA ARG 44 HA ARG 44 1.300 3.774 -8.201 314 HB2 ARG 44 HB2 ARG 44 1.592 2.482 -10.290 315 HB3 ARG 44 HB3 ARG 44 0.402 1.295 -9.718 316 HG2 ARG 44 HG2 ARG 44 -1.316 3.084 -9.585 317 HG3 ARG 44 HG3 ARG 44 -0.117 4.288 -10.076 318 HD2 ARG 44 HD2 ARG 44 0.082 3.254 -12.281 319 HD3 ARG 44 HD3 ARG 44 -0.948 1.904 -11.776 320 HE ARG 44 HE ARG 44 -2.819 3.163 -12.100 321 HH11 ARG 44 HH11 ARG 44 -0.062 5.428 -12.087 322 HH12 ARG 44 HH12 ARG 44 -1.058 6.798 -12.526 323 HH21 ARG 44 HH21 ARG 44 -4.062 4.953 -12.651 324 HH22 ARG 44 HH22 ARG 44 -3.325 6.527 -12.845 325 H TRP 45 H TRP 45 0.180 0.488 -7.283 326 HA TRP 45 HA TRP 45 -2.456 1.088 -6.539 327 HB2 TRP 45 HB2 TRP 45 -1.792 -1.193 -6.730 328 HB3 TRP 45 HB3 TRP 45 -0.464 -0.988 -5.607 329 HD1 TRP 45 HD1 TRP 45 -0.855 -2.204 -3.507 330 HE1 TRP 45 HE1 TRP 45 -2.814 -2.789 -1.967 331 HE3 TRP 45 HE3 TRP 45 -4.594 0.234 -6.002 332 HZ2 TRP 45 HZ2 TRP 45 -5.677 -2.298 -1.858 333 HZ3 TRP 45 HZ3 TRP 45 -6.917 0.166 -5.178 334 HH2 TRP 45 HH2 TRP 45 -7.485 -1.109 -3.111 335 H LEU 46 H LEU 46 0.371 0.971 -4.283 336 HA LEU 46 HA LEU 46 -1.306 1.947 -2.151 337 HB2 LEU 46 HB2 LEU 46 0.221 1.133 -0.834 338 HB3 LEU 46 HB3 LEU 46 1.000 0.483 -2.269 339 HG LEU 46 HG LEU 46 1.774 3.060 -0.838 340 HD11 LEU 46 HD11 LEU 46 2.324 0.888 0.320 341 HD12 LEU 46 HD12 LEU 46 3.748 1.814 -0.180 342 HD13 LEU 46 HD13 LEU 46 3.228 0.393 -1.114 343 HD21 LEU 46 HD21 LEU 46 3.721 3.018 -2.335 344 HD22 LEU 46 HD22 LEU 46 2.266 3.148 -3.315 345 HD23 LEU 46 HD23 LEU 46 3.065 1.579 -3.151 346 H LYS 47 H LYS 47 -0.039 3.663 -4.679 347 HA LYS 47 HA LYS 47 0.216 6.225 -3.186 348 HB2 LYS 47 HB2 LYS 47 2.060 5.678 -4.672 349 HB3 LYS 47 HB3 LYS 47 0.950 5.435 -6.030 350 HG2 LYS 47 HG2 LYS 47 0.357 7.801 -6.049 351 HG3 LYS 47 HG3 LYS 47 1.277 8.089 -4.570 352 HD2 LYS 47 HD2 LYS 47 2.431 8.901 -6.587 353 HD3 LYS 47 HD3 LYS 47 3.382 7.678 -5.732 354 HE2 LYS 47 HE2 LYS 47 2.837 5.979 -7.357 355 HE3 LYS 47 HE3 LYS 47 1.615 7.005 -8.125 356 HZ1 LYS 47 HZ1 LYS 47 3.295 8.429 -8.958 357 HZ2 LYS 47 HZ2 LYS 47 3.812 6.893 -9.289 358 HZ3 LYS 47 HZ3 LYS 47 4.476 7.787 -8.066 359 H VAL 48 H VAL 48 -1.657 4.850 -5.958 360 HA VAL 48 HA VAL 48 -3.664 7.009 -5.471 361 HB VAL 48 HB VAL 48 -2.107 7.561 -7.294 362 HG11 VAL 48 HG11 VAL 48 -1.906 5.330 -8.374 363 HG12 VAL 48 HG12 VAL 48 -3.550 5.532 -9.021 364 HG13 VAL 48 HG13 VAL 48 -2.273 6.665 -9.475 365 HG21 VAL 48 HG21 VAL 48 -5.082 7.475 -7.758 366 HG22 VAL 48 HG22 VAL 48 -4.093 8.768 -7.084 367 HG23 VAL 48 HG23 VAL 48 -3.952 8.368 -8.804 368 HA PRO 49 HA PRO 49 -5.379 2.655 -5.554 369 HB2 PRO 49 HB2 PRO 49 -6.557 2.585 -3.051 370 HB3 PRO 49 HB3 PRO 49 -4.831 2.243 -3.335 371 HG2 PRO 49 HG2 PRO 49 -6.082 4.894 -2.513 372 HG3 PRO 49 HG3 PRO 49 -4.692 4.051 -1.748 373 HD2 PRO 49 HD2 PRO 49 -4.309 6.028 -3.508 374 HD3 PRO 49 HD3 PRO 49 -3.284 4.561 -3.543 375 H ASP 50 H ASP 50 -6.985 5.778 -5.019 376 HA ASP 50 HA ASP 50 -9.678 4.582 -5.323 377 HB2 ASP 50 HB2 ASP 50 -9.062 6.628 -3.896 378 HB3 ASP 50 HB3 ASP 50 -9.015 7.531 -5.422 379 H GLN 51 H GLN 51 -7.283 6.312 -7.357 380 HA GLN 51 HA GLN 51 -9.011 6.308 -9.684 381 HB2 GLN 51 HB2 GLN 51 -7.065 7.886 -9.274 382 HB3 GLN 51 HB3 GLN 51 -5.981 6.509 -9.538 383 HG2 GLN 51 HG2 GLN 51 -6.185 7.854 -11.555 384 HG3 GLN 51 HG3 GLN 51 -6.804 6.224 -11.805 385 HE21 GLN 51 HE21 GLN 51 -8.225 6.818 -13.576 386 HE22 GLN 51 HE22 GLN 51 -9.673 7.768 -13.250 387 H MET 52 H MET 52 -6.596 4.019 -8.323 388 HA MET 52 HA MET 52 -6.431 2.355 -10.602 389 HB2 MET 52 HB2 MET 52 -4.898 2.269 -8.665 390 HB3 MET 52 HB3 MET 52 -6.176 1.532 -7.671 391 HG2 MET 52 HG2 MET 52 -6.285 -0.391 -9.124 392 HG3 MET 52 HG3 MET 52 -5.249 0.389 -10.316 393 HE1 MET 52 HE1 MET 52 -1.703 -0.114 -9.105 394 HE2 MET 52 HE2 MET 52 -2.792 0.287 -10.453 395 HE3 MET 52 HE3 MET 52 -2.693 1.367 -9.039 396 H LEU 53 H LEU 53 -8.993 2.462 -8.137 397 HA LEU 53 HA LEU 53 -10.379 0.141 -9.312 398 HB2 LEU 53 HB2 LEU 53 -11.225 2.106 -7.161 399 HB3 LEU 53 HB3 LEU 53 -12.175 0.718 -7.689 400 HG LEU 53 HG LEU 53 -9.413 0.552 -6.421 401 HD11 LEU 53 HD11 LEU 53 -10.595 -0.328 -4.459 402 HD12 LEU 53 HD12 LEU 53 -12.154 -0.135 -5.289 403 HD13 LEU 53 HD13 LEU 53 -11.191 1.289 -4.859 404 HD21 LEU 53 HD21 LEU 53 -9.768 -1.390 -7.865 405 HD22 LEU 53 HD22 LEU 53 -11.363 -1.663 -7.119 406 HD23 LEU 53 HD23 LEU 53 -9.880 -1.857 -6.167 407 H ALA 54 H ALA 54 -10.234 3.535 -10.000 408 HA ALA 54 HA ALA 54 -12.776 3.593 -11.476 409 HB1 ALA 54 HB1 ALA 54 -11.869 5.585 -10.261 410 HB2 ALA 54 HB2 ALA 54 -10.513 5.626 -11.409 411 HB3 ALA 54 HB3 ALA 54 -12.171 5.878 -11.983 412 H GLU 55 H GLU 55 -9.292 3.281 -12.251 413 HA GLU 55 HA GLU 55 -9.729 3.034 -15.114 414 HB2 GLU 55 HB2 GLU 55 -7.408 2.576 -15.262 415 HB3 GLU 55 HB3 GLU 55 -7.584 3.787 -14.006 416 HG2 GLU 55 HG2 GLU 55 -7.339 2.028 -12.335 417 HG3 GLU 55 HG3 GLU 55 -7.237 0.783 -13.568 418 H LYS 56 H LYS 56 -10.488 0.981 -12.614 419 HA LYS 56 HA LYS 56 -10.690 -1.207 -12.187 420 HB2 LYS 56 HB2 LYS 56 -11.546 -1.481 -15.080 421 HB3 LYS 56 HB3 LYS 56 -11.880 -2.593 -13.752 422 HG2 LYS 56 HG2 LYS 56 -13.116 -0.646 -12.599 423 HG3 LYS 56 HG3 LYS 56 -12.958 0.216 -14.141 424 HD2 LYS 56 HD2 LYS 56 -13.989 -1.970 -15.188 425 HD3 LYS 56 HD3 LYS 56 -14.432 -2.379 -13.538 426 HE2 LYS 56 HE2 LYS 56 -16.316 -1.368 -14.614 427 HE3 LYS 56 HE3 LYS 56 -15.734 -0.232 -13.389 428 HZ1 LYS 56 HZ1 LYS 56 -16.255 0.674 -15.703 429 HZ2 LYS 56 HZ2 LYS 56 -14.859 -0.017 -16.216 430 HZ3 LYS 56 HZ3 LYS 56 -14.861 1.148 -15.022 431 H ASP 57 H ASP 57 -8.348 -1.086 -11.929 432 HA ASP 57 HA ASP 57 -6.714 -2.815 -13.695 433 HB2 ASP 57 HB2 ASP 57 -5.793 -0.800 -12.384 434 HB3 ASP 57 HB3 ASP 57 -6.008 -1.792 -10.932 435 HA PRO 58 HA PRO 58 -9.473 -5.553 -12.000 436 HB2 PRO 58 HB2 PRO 58 -8.896 -7.858 -13.326 437 HB3 PRO 58 HB3 PRO 58 -9.446 -6.318 -14.090 438 HG2 PRO 58 HG2 PRO 58 -6.525 -7.133 -13.786 439 HG3 PRO 58 HG3 PRO 58 -7.417 -6.867 -15.335 440 HD2 PRO 58 HD2 PRO 58 -6.045 -4.918 -14.126 441 HD3 PRO 58 HD3 PRO 58 -7.679 -4.569 -14.758 442 H LEU 59 H LEU 59 -6.118 -6.300 -11.568 443 HA LEU 59 HA LEU 59 -6.304 -8.324 -9.523 444 HB2 LEU 59 HB2 LEU 59 -4.249 -7.840 -10.790 445 HB3 LEU 59 HB3 LEU 59 -4.172 -6.221 -10.093 446 HG LEU 59 HG LEU 59 -3.733 -7.139 -7.865 447 HD11 LEU 59 HD11 LEU 59 -4.977 -9.250 -7.916 448 HD12 LEU 59 HD12 LEU 59 -3.281 -9.566 -7.566 449 HD13 LEU 59 HD13 LEU 59 -3.906 -9.880 -9.195 450 HD21 LEU 59 HD21 LEU 59 -1.970 -8.452 -9.980 451 HD22 LEU 59 HD22 LEU 59 -1.519 -8.089 -8.300 452 HD23 LEU 59 HD23 LEU 59 -1.838 -6.768 -9.428 453 H ALA 60 H ALA 60 -6.300 -4.701 -9.299 454 HA ALA 60 HA ALA 60 -6.562 -4.753 -6.386 455 HB1 ALA 60 HB1 ALA 60 -5.611 -2.804 -7.527 456 HB2 ALA 60 HB2 ALA 60 -7.156 -2.545 -8.386 457 HB3 ALA 60 HB3 ALA 60 -7.077 -2.395 -6.617 458 H MET 61 H MET 61 -8.786 -4.401 -9.164 459 HA MET 61 HA MET 61 -11.222 -4.003 -7.789 460 HB2 MET 61 HB2 MET 61 -10.725 -5.631 -10.307 461 HB3 MET 61 HB3 MET 61 -12.282 -5.056 -9.771 462 HG2 MET 61 HG2 MET 61 -9.955 -3.224 -10.458 463 HG3 MET 61 HG3 MET 61 -11.229 -3.679 -11.578 464 HE1 MET 61 HE1 MET 61 -14.348 -1.933 -10.293 465 HE2 MET 61 HE2 MET 61 -13.611 -3.227 -11.296 466 HE3 MET 61 HE3 MET 61 -13.897 -3.490 -9.560 467 H LEU 62 H LEU 62 -9.460 -7.053 -8.363 468 HA LEU 62 HA LEU 62 -11.418 -8.798 -7.142 469 HB2 LEU 62 HB2 LEU 62 -9.729 -9.459 -8.845 470 HB3 LEU 62 HB3 LEU 62 -8.457 -8.979 -7.705 471 HG LEU 62 HG LEU 62 -9.103 -10.752 -6.169 472 HD11 LEU 62 HD11 LEU 62 -11.516 -10.992 -6.668 473 HD12 LEU 62 HD12 LEU 62 -10.691 -12.542 -6.871 474 HD13 LEU 62 HD13 LEU 62 -11.132 -11.577 -8.297 475 HD21 LEU 62 HD21 LEU 62 -8.347 -12.663 -7.521 476 HD22 LEU 62 HD22 LEU 62 -7.431 -11.202 -7.927 477 HD23 LEU 62 HD23 LEU 62 -8.727 -11.772 -9.011 478 H LEU 63 H LEU 63 -8.289 -7.252 -6.026 479 HA LEU 63 HA LEU 63 -8.187 -8.779 -3.617 480 HB2 LEU 63 HB2 LEU 63 -6.327 -7.730 -4.858 481 HB3 LEU 63 HB3 LEU 63 -6.911 -6.124 -4.430 482 HG LEU 63 HG LEU 63 -5.947 -8.179 -2.392 483 HD11 LEU 63 HD11 LEU 63 -3.834 -6.919 -2.413 484 HD12 LEU 63 HD12 LEU 63 -4.460 -5.839 -3.677 485 HD13 LEU 63 HD13 LEU 63 -4.165 -7.551 -4.031 486 HD21 LEU 63 HD21 LEU 63 -7.267 -6.416 -1.342 487 HD22 LEU 63 HD22 LEU 63 -6.449 -5.171 -2.308 488 HD23 LEU 63 HD23 LEU 63 -5.567 -6.077 -1.042 489 H PHE 64 H PHE 64 -9.471 -5.576 -4.408 490 HA PHE 64 HA PHE 64 -10.081 -4.962 -1.609 491 HB2 PHE 64 HB2 PHE 64 -10.331 -2.894 -2.272 492 HB3 PHE 64 HB3 PHE 64 -9.793 -3.388 -3.855 493 HD1 PHE 64 HD1 PHE 64 -11.680 -4.198 -5.521 494 HD2 PHE 64 HD2 PHE 64 -12.408 -1.846 -1.997 495 HE1 PHE 64 HE1 PHE 64 -13.857 -3.450 -6.473 496 HE2 PHE 64 HE2 PHE 64 -14.564 -1.078 -2.946 497 HZ PHE 64 HZ PHE 64 -15.292 -1.874 -5.190 498 H GLU 65 H GLU 65 -11.933 -6.543 -4.205 499 HA GLU 65 HA GLU 65 -14.462 -6.439 -2.832 500 HB2 GLU 65 HB2 GLU 65 -14.456 -6.485 -5.193 501 HB3 GLU 65 HB3 GLU 65 -13.309 -7.837 -5.268 502 HG2 GLU 65 HG2 GLU 65 -14.868 -9.400 -4.578 503 HG3 GLU 65 HG3 GLU 65 -15.983 -8.170 -3.954 504 H GLN 66 H GLN 66 -11.877 -8.924 -3.221 505 HA GLN 66 HA GLN 66 -13.209 -10.933 -1.666 506 HB2 GLN 66 HB2 GLN 66 -10.264 -10.452 -2.288 507 HB3 GLN 66 HB3 GLN 66 -10.862 -11.890 -1.460 508 HG2 GLN 66 HG2 GLN 66 -11.720 -11.046 -4.264 509 HG3 GLN 66 HG3 GLN 66 -10.480 -12.242 -3.899 510 HE21 GLN 66 HE21 GLN 66 -11.185 -14.276 -2.763 511 HE22 GLN 66 HE22 GLN 66 -12.888 -14.745 -2.970 512 H TYR 67 H TYR 67 -10.951 -8.328 -0.684 513 HA TYR 67 HA TYR 67 -11.263 -9.000 2.152 514 HB2 TYR 67 HB2 TYR 67 -9.748 -6.869 0.645 515 HB3 TYR 67 HB3 TYR 67 -9.944 -6.795 2.386 516 HD1 TYR 67 HD1 TYR 67 -9.204 -8.659 3.866 517 HD2 TYR 67 HD2 TYR 67 -8.031 -8.403 -0.275 518 HE1 TYR 67 HE1 TYR 67 -7.253 -10.111 4.315 519 HE2 TYR 67 HE2 TYR 67 -6.020 -9.795 0.199 520 HH TYR 67 HH TYR 67 -5.328 -10.974 3.524 521 H ASN 68 H ASN 68 -13.699 -8.742 1.041 522 HA ASN 68 HA ASN 68 -15.761 -7.998 1.440 523 HB2 ASN 68 HB2 ASN 68 -14.551 -6.755 3.928 524 HB3 ASN 68 HB3 ASN 68 -16.256 -7.067 3.657 525 HD21 ASN 68 HD21 ASN 68 -15.881 -8.200 5.835 526 HD22 ASN 68 HD22 ASN 68 -15.512 -9.910 5.650 527 H ARG 69 H ARG 69 -14.532 -6.402 -0.462 528 HA ARG 69 HA ARG 69 -14.782 -4.445 -1.628 529 HB2 ARG 69 HB2 ARG 69 -17.487 -4.629 -0.284 530 HB3 ARG 69 HB3 ARG 69 -17.128 -3.425 -1.511 531 HG2 ARG 69 HG2 ARG 69 -16.784 -6.405 -2.007 532 HG3 ARG 69 HG3 ARG 69 -18.288 -5.544 -2.310 533 HD2 ARG 69 HD2 ARG 69 -15.630 -4.791 -3.604 534 HD3 ARG 69 HD3 ARG 69 -16.836 -5.842 -4.343 535 HE ARG 69 HE ARG 69 -16.965 -2.931 -3.956 536 HH11 ARG 69 HH11 ARG 69 -18.787 -5.848 -4.922 537 HH12 ARG 69 HH12 ARG 69 -20.012 -4.922 -5.763 538 HH21 ARG 69 HH21 ARG 69 -18.573 -1.786 -5.053 539 HH22 ARG 69 HH22 ARG 69 -19.889 -2.631 -5.836 540 H LEU 70 H LEU 70 -13.066 -3.880 0.230 541 HA LEU 70 HA LEU 70 -13.976 -1.353 1.565 542 HB2 LEU 70 HB2 LEU 70 -13.435 -3.505 2.903 543 HB3 LEU 70 HB3 LEU 70 -11.757 -3.078 2.628 544 HG LEU 70 HG LEU 70 -13.917 -1.408 3.999 545 HD11 LEU 70 HD11 LEU 70 -12.636 -1.785 6.019 546 HD12 LEU 70 HD12 LEU 70 -11.404 -2.694 5.100 547 HD13 LEU 70 HD13 LEU 70 -13.047 -3.329 5.271 548 HD21 LEU 70 HD21 LEU 70 -10.993 -0.688 3.526 549 HD22 LEU 70 HD22 LEU 70 -12.029 0.096 4.738 550 HD23 LEU 70 HD23 LEU 70 -12.438 0.228 3.040 551 H ALA 71 H ALA 71 -13.285 0.358 0.548 552 HA ALA 71 HA ALA 71 -10.843 0.428 -1.029 553 HB1 ALA 71 HB1 ALA 71 -11.740 2.669 -1.635 554 HB2 ALA 71 HB2 ALA 71 -12.926 1.374 -1.847 555 HB3 ALA 71 HB3 ALA 71 -13.032 2.461 -0.444 556 H MET 72 H MET 72 -9.411 2.337 -0.979 557 HA MET 72 HA MET 72 -9.064 3.697 1.580 558 HB2 MET 72 HB2 MET 72 -6.762 3.189 1.934 559 HB3 MET 72 HB3 MET 72 -7.645 1.671 1.807 560 HG2 MET 72 HG2 MET 72 -6.833 1.415 -0.537 561 HG3 MET 72 HG3 MET 72 -5.960 2.943 -0.370 562 HE1 MET 72 HE1 MET 72 -4.433 0.544 -1.451 563 HE2 MET 72 HE2 MET 72 -3.589 2.048 -1.022 564 HE3 MET 72 HE3 MET 72 -2.954 0.486 -0.466 565 HA PRO 73 HA PRO 73 -7.850 6.852 -1.365 566 HB2 PRO 73 HB2 PRO 73 -7.594 8.974 0.247 567 HB3 PRO 73 HB3 PRO 73 -9.098 8.006 0.268 568 HG2 PRO 73 HG2 PRO 73 -6.740 7.808 2.164 569 HG3 PRO 73 HG3 PRO 73 -8.477 7.948 2.578 570 HD2 PRO 73 HD2 PRO 73 -7.096 5.532 2.396 571 HD3 PRO 73 HD3 PRO 73 -8.857 5.716 2.137 572 H ASN 74 H ASN 74 -6.294 8.557 -1.910 573 HA ASN 74 HA ASN 74 -3.446 7.933 -1.659 574 HB2 ASN 74 HB2 ASN 74 -4.202 8.683 -3.782 575 HB3 ASN 74 HB3 ASN 74 -5.210 9.944 -3.113 576 HD21 ASN 74 HD21 ASN 74 -1.875 9.051 -3.821 577 HD22 ASN 74 HD22 ASN 74 -1.312 10.714 -3.963 578 H MET 75 H MET 75 -5.648 10.015 0.044 579 HA MET 75 HA MET 75 -5.485 11.659 1.553 580 HB2 MET 75 HB2 MET 75 -2.689 10.781 2.358 581 HB3 MET 75 HB3 MET 75 -3.911 11.644 3.284 582 HG2 MET 75 HG2 MET 75 -4.115 9.590 4.200 583 HG3 MET 75 HG3 MET 75 -5.270 9.370 2.883 584 HE1 MET 75 HE1 MET 75 -5.034 6.686 3.152 585 HE2 MET 75 HE2 MET 75 -3.471 5.850 3.211 586 HE3 MET 75 HE3 MET 75 -3.926 6.973 4.520 587 H ARG 76 H ARG 76 -2.060 11.854 1.034 588 HA ARG 76 HA ARG 76 -2.086 14.236 -0.668 589 HB2 ARG 76 HB2 ARG 76 -1.012 14.336 2.182 590 HB3 ARG 76 HB3 ARG 76 -0.757 15.592 0.982 591 HG2 ARG 76 HG2 ARG 76 -3.453 14.820 2.154 592 HG3 ARG 76 HG3 ARG 76 -2.471 16.182 2.642 593 HD2 ARG 76 HD2 ARG 76 -3.543 15.849 -0.192 594 HD3 ARG 76 HD3 ARG 76 -4.376 16.739 1.076 595 HE ARG 76 HE ARG 76 -1.941 17.525 -0.370 596 HH11 ARG 76 HH11 ARG 76 -4.097 18.280 2.375 597 HH12 ARG 76 HH12 ARG 76 -3.526 19.928 2.499 598 HH21 ARG 76 HH21 ARG 76 -1.240 19.668 -0.167 599 HH22 ARG 76 HH22 ARG 76 -1.915 20.711 1.067 600 H LEU 77 H LEU 77 -0.957 11.375 -0.597 601 HA LEU 77 HA LEU 77 1.736 11.360 0.241 602 HB2 LEU 77 HB2 LEU 77 0.176 9.679 -1.746 603 HB3 LEU 77 HB3 LEU 77 1.850 9.321 -1.364 604 HG LEU 77 HG LEU 77 -0.319 9.437 0.770 605 HD11 LEU 77 HD11 LEU 77 0.832 7.013 -0.690 606 HD12 LEU 77 HD12 LEU 77 -0.798 7.682 -0.927 607 HD13 LEU 77 HD13 LEU 77 -0.358 6.997 0.631 608 HD21 LEU 77 HD21 LEU 77 1.939 9.686 1.685 609 HD22 LEU 77 HD22 LEU 77 2.500 8.277 0.755 610 HD23 LEU 77 HD23 LEU 77 1.311 8.078 2.055 611 H GLY 78 H GLY 78 3.597 12.123 -0.522 612 HA2 GLY 78 HA2 GLY 78 3.877 13.005 -3.356 613 HA3 GLY 78 HA3 GLY 78 4.977 13.351 -2.029 614 H ASP 79 H ASP 79 5.457 12.127 -4.754 615 HA ASP 79 HA ASP 79 6.001 9.348 -4.638 616 HB2 ASP 79 HB2 ASP 79 7.254 11.615 -6.220 617 HB3 ASP 79 HB3 ASP 79 7.793 9.946 -6.396 618 H ALA 80 H ALA 80 8.032 12.014 -3.374 619 HA ALA 80 HA ALA 80 10.320 10.269 -2.862 620 HB1 ALA 80 HB1 ALA 80 10.524 12.689 -3.346 621 HB2 ALA 80 HB2 ALA 80 9.683 13.060 -1.824 622 HB3 ALA 80 HB3 ALA 80 11.261 12.243 -1.795 623 H GLU 81 H GLU 81 7.392 11.028 -1.096 624 HA GLU 81 HA GLU 81 8.452 9.905 1.431 625 HB2 GLU 81 HB2 GLU 81 6.870 11.019 2.474 626 HB3 GLU 81 HB3 GLU 81 6.642 11.892 0.982 627 HG2 GLU 81 HG2 GLU 81 4.761 10.311 0.402 628 HG3 GLU 81 HG3 GLU 81 4.989 9.530 1.970 629 H VAL 82 H VAL 82 6.212 9.043 -1.195 630 HA VAL 82 HA VAL 82 5.566 6.373 -0.407 631 HB VAL 82 HB VAL 82 5.900 7.702 -3.121 632 HG11 VAL 82 HG11 VAL 82 6.222 5.322 -3.545 633 HG12 VAL 82 HG12 VAL 82 4.817 4.931 -2.527 634 HG13 VAL 82 HG13 VAL 82 4.607 5.790 -4.068 635 HG21 VAL 82 HG21 VAL 82 4.021 8.477 -1.658 636 HG22 VAL 82 HG22 VAL 82 3.447 7.671 -3.122 637 HG23 VAL 82 HG23 VAL 82 3.426 6.809 -1.570 638 H SER 83 H SER 83 8.498 7.616 -2.125 639 HA SER 83 HA SER 83 9.774 5.125 -2.555 640 HB2 SER 83 HB2 SER 83 10.539 7.242 -3.525 641 HB3 SER 83 HB3 SER 83 10.980 7.847 -1.915 642 HG SER 83 HG SER 83 12.064 5.589 -3.280 643 H ALA 84 H ALA 84 9.934 7.214 0.372 644 HA ALA 84 HA ALA 84 11.720 5.473 1.839 645 HB1 ALA 84 HB1 ALA 84 11.092 6.908 3.731 646 HB2 ALA 84 HB2 ALA 84 11.435 7.894 2.297 647 HB3 ALA 84 HB3 ALA 84 9.753 7.605 2.790 648 H LEU 85 H LEU 85 8.168 5.703 1.566 649 HA LEU 85 HA LEU 85 7.558 3.725 3.551 650 HB2 LEU 85 HB2 LEU 85 6.157 5.612 2.618 651 HB3 LEU 85 HB3 LEU 85 5.944 4.667 1.150 652 HG LEU 85 HG LEU 85 4.704 2.946 2.412 653 HD11 LEU 85 HD11 LEU 85 3.990 3.484 4.769 654 HD12 LEU 85 HD12 LEU 85 5.217 4.766 4.810 655 HD13 LEU 85 HD13 LEU 85 5.702 3.070 4.630 656 HD21 LEU 85 HD21 LEU 85 3.858 5.860 2.732 657 HD22 LEU 85 HD22 LEU 85 2.776 4.511 3.035 658 HD23 LEU 85 HD23 LEU 85 3.454 4.750 1.413 659 H ILE 86 H ILE 86 8.176 3.494 0.084 660 HA ILE 86 HA ILE 86 7.597 0.693 -0.343 661 HB ILE 86 HB ILE 86 8.704 2.937 -1.855 662 HG12 ILE 86 HG12 ILE 86 7.774 1.713 -3.741 663 HG13 ILE 86 HG13 ILE 86 7.563 0.262 -2.748 664 HG21 ILE 86 HG21 ILE 86 10.087 0.290 -2.377 665 HG22 ILE 86 HG22 ILE 86 10.080 1.695 -3.459 666 HG23 ILE 86 HG23 ILE 86 10.862 1.823 -1.893 667 HD11 ILE 86 HD11 ILE 86 5.868 1.444 -1.376 668 HD12 ILE 86 HD12 ILE 86 6.164 2.932 -2.304 669 HD13 ILE 86 HD13 ILE 86 5.459 1.505 -3.090 670 H SER 87 H SER 87 10.512 2.480 0.557 671 HA SER 87 HA SER 87 12.230 0.202 0.906 672 HB2 SER 87 HB2 SER 87 12.389 2.927 2.250 673 HB3 SER 87 HB3 SER 87 13.689 1.740 2.092 674 HG SER 87 HG SER 87 12.408 3.233 0.030 675 H TYR 88 H TYR 88 10.077 2.007 3.193 676 HA TYR 88 HA TYR 88 10.867 0.600 5.515 677 HB2 TYR 88 HB2 TYR 88 9.539 2.662 5.518 678 HB3 TYR 88 HB3 TYR 88 8.135 1.780 4.930 679 HD1 TYR 88 HD2 TYR 88 10.601 1.977 7.753 680 HD2 TYR 88 HD1 TYR 88 6.692 0.667 6.492 681 HE1 TYR 88 HE2 TYR 88 10.078 1.265 10.082 682 HE2 TYR 88 HE1 TYR 88 6.172 -0.029 8.829 683 HH TYR 88 HH TYR 88 7.083 -0.407 10.951 684 H LEU 89 H LEU 89 8.144 -0.218 3.298 685 HA LEU 89 HA LEU 89 7.291 -2.491 4.783 686 HB2 LEU 89 HB2 LEU 89 6.880 -1.400 2.024 687 HB3 LEU 89 HB3 LEU 89 6.594 -3.119 2.218 688 HG LEU 89 HG LEU 89 4.923 -2.804 3.899 689 HD11 LEU 89 HD11 LEU 89 4.077 -0.556 4.532 690 HD12 LEU 89 HD12 LEU 89 5.467 0.183 3.698 691 HD13 LEU 89 HD13 LEU 89 5.710 -0.860 5.121 692 HD21 LEU 89 HD21 LEU 89 4.491 -0.875 1.580 693 HD22 LEU 89 HD22 LEU 89 3.221 -1.645 2.564 694 HD23 LEU 89 HD23 LEU 89 4.262 -2.633 1.522 695 H GLU 90 H GLU 90 9.765 -2.399 2.137 696 HA GLU 90 HA GLU 90 10.108 -5.294 2.422 697 HB2 GLU 90 HB2 GLU 90 11.748 -5.213 0.745 698 HB3 GLU 90 HB3 GLU 90 10.299 -4.362 0.243 699 HG2 GLU 90 HG2 GLU 90 11.497 -2.196 0.622 700 HG3 GLU 90 HG3 GLU 90 12.932 -3.095 1.122 701 H GLU 91 H GLU 91 11.849 -2.518 3.801 702 HA GLU 91 HA GLU 91 14.005 -4.254 4.799 703 HB2 GLU 91 HB2 GLU 91 13.293 -1.346 5.193 704 HB3 GLU 91 HB3 GLU 91 14.585 -2.121 6.100 705 HG2 GLU 91 HG2 GLU 91 14.502 -2.163 3.050 706 HG3 GLU 91 HG3 GLU 91 15.272 -0.877 3.985 707 H GLU 92 H GLU 92 11.020 -2.830 6.249 708 HA GLU 92 HA GLU 92 11.562 -3.827 8.891 709 HB2 GLU 92 HB2 GLU 92 9.851 -2.105 8.414 710 HB3 GLU 92 HB3 GLU 92 8.941 -3.272 7.457 711 HG2 GLU 92 HG2 GLU 92 7.807 -3.045 9.492 712 HG3 GLU 92 HG3 GLU 92 8.547 -4.633 9.519 713 H THR 93 H THR 93 10.010 -5.267 6.030 714 HA THR 93 HA THR 93 9.411 -7.863 7.086 715 HB THR 93 HB THR 93 10.208 -7.020 4.269 716 HG1 THR 93 HG1 THR 93 8.337 -6.086 4.665 717 HG21 THR 93 HG21 THR 93 8.956 -9.101 3.580 718 HG22 THR 93 HG22 THR 93 9.017 -9.633 5.279 719 HG23 THR 93 HG23 THR 93 10.511 -9.401 4.357 720 H ALA 94 H ALA 94 12.403 -6.688 5.413 721 HA ALA 94 HA ALA 94 13.737 -9.211 5.640 722 HB1 ALA 94 HB1 ALA 94 14.202 -7.586 3.869 723 HB2 ALA 94 HB2 ALA 94 14.818 -6.423 5.071 724 HB3 ALA 94 HB3 ALA 94 15.674 -7.949 4.779 725 H ARG 95 H ARG 95 13.520 -6.571 7.929 726 HA ARG 95 HA ARG 95 15.718 -7.671 9.606 727 HB2 ARG 95 HB2 ARG 95 14.131 -5.082 9.698 728 HB3 ARG 95 HB3 ARG 95 15.369 -5.524 10.876 729 HG2 ARG 95 HG2 ARG 95 17.115 -5.531 9.209 730 HG3 ARG 95 HG3 ARG 95 15.955 -5.326 7.894 731 HD2 ARG 95 HD2 ARG 95 17.055 -3.215 8.358 732 HD3 ARG 95 HD3 ARG 95 15.329 -3.102 8.731 733 HE ARG 95 HE ARG 95 16.543 -3.803 11.131 734 HH11 ARG 95 HH11 ARG 95 16.851 -1.061 8.871 735 HH12 ARG 95 HH12 ARG 95 17.266 0.071 10.140 736 HH21 ARG 95 HH21 ARG 95 17.077 -2.296 12.741 737 HH22 ARG 95 HH22 ARG 95 17.394 -0.628 12.323 738 H LEU 96 H LEU 96 12.574 -8.487 9.370 739 HA LEU 96 HA LEU 96 11.465 -7.970 11.882 740 HB2 LEU 96 HB2 LEU 96 10.422 -8.664 9.610 741 HB3 LEU 96 HB3 LEU 96 10.549 -10.282 10.166 742 HG LEU 96 HG LEU 96 8.373 -9.698 10.620 743 HD11 LEU 96 HD11 LEU 96 8.072 -9.418 12.994 744 HD12 LEU 96 HD12 LEU 96 9.743 -8.831 13.171 745 HD13 LEU 96 HD13 LEU 96 9.431 -10.519 12.680 746 HD21 LEU 96 HD21 LEU 96 9.364 -6.992 11.571 747 HD22 LEU 96 HD22 LEU 96 7.659 -7.515 11.481 748 HD23 LEU 96 HD23 LEU 96 8.627 -7.360 10.002 749 H GLN 97 H GLN 97 13.130 -8.484 13.323 750 HA GLN 97 HA GLN 97 12.966 -11.270 14.433 751 HB2 GLN 97 HB2 GLN 97 15.303 -9.321 14.360 752 HB3 GLN 97 HB3 GLN 97 15.264 -10.736 15.410 753 HG2 GLN 97 HG2 GLN 97 15.115 -10.837 12.363 754 HG3 GLN 97 HG3 GLN 97 16.567 -11.099 13.328 755 HE21 GLN 97 HE21 GLN 97 13.399 -12.481 12.462 756 HE22 GLN 97 HE22 GLN 97 13.751 -14.074 13.131 757 H THR 98 H THR 98 12.356 -7.942 15.023 758 HA THR 98 HA THR 98 11.582 -8.540 17.877 759 HB THR 98 HB THR 98 12.306 -5.870 16.686 760 HG1 THR 98 HG1 THR 98 14.126 -6.044 17.895 761 HG21 THR 98 HG21 THR 98 12.396 -5.270 19.141 762 HG22 THR 98 HG22 THR 98 11.671 -6.843 19.508 763 HG23 THR 98 HG23 THR 98 10.775 -5.632 18.552 764 HA PRO 99 HA PRO 99 7.855 -8.172 15.209 765 HB2 PRO 99 HB2 PRO 99 6.396 -10.258 16.173 766 HB3 PRO 99 HB3 PRO 99 7.840 -10.512 15.159 767 HG2 PRO 99 HG2 PRO 99 7.713 -10.516 18.198 768 HG3 PRO 99 HG3 PRO 99 8.364 -11.800 17.123 769 HD2 PRO 99 HD2 PRO 99 9.989 -9.924 18.213 770 HD3 PRO 99 HD3 PRO 99 10.236 -10.498 16.538 771 H VAL 100 H VAL 100 8.309 -6.305 17.137 772 HA VAL 100 HA VAL 100 5.910 -6.123 18.901 773 HB VAL 100 HB VAL 100 8.864 -6.115 19.652 774 HG11 VAL 100 HG11 VAL 100 6.475 -5.106 21.300 775 HG12 VAL 100 HG12 VAL 100 8.084 -5.449 21.960 776 HG13 VAL 100 HG13 VAL 100 7.896 -4.151 20.789 777 HG21 VAL 100 HG21 VAL 100 6.460 -7.640 20.728 778 HG22 VAL 100 HG22 VAL 100 7.775 -8.301 19.730 779 HG23 VAL 100 HG23 VAL 100 8.121 -7.730 21.358 780 H THR 101 H THR 101 4.998 -4.202 18.740 781 HA THR 101 HA THR 101 6.566 -1.807 17.837 782 HB THR 101 HB THR 101 4.509 -1.230 16.462 783 HG1 THR 101 HG1 THR 101 4.026 -3.992 16.525 784 HG21 THR 101 HG21 THR 101 5.138 -2.644 14.560 785 HG22 THR 101 HG22 THR 101 6.107 -3.682 15.624 786 HG23 THR 101 HG23 THR 101 6.564 -1.990 15.379 787 H ASN 102 H ASN 102 5.335 0.254 18.043 788 HA ASN 102 HA ASN 102 4.034 0.537 20.677 789 HB2 ASN 102 HB2 ASN 102 5.623 2.241 19.898 790 HB3 ASN 102 HB3 ASN 102 4.679 2.507 18.434 791 HD21 ASN 102 HD21 ASN 102 4.581 4.833 19.077 792 HD22 ASN 102 HD22 ASN 102 3.385 5.277 20.280 793 H ARG 103 H ARG 103 2.407 -1.139 19.945 794 HA ARG 103 HA ARG 103 0.708 -0.725 17.731 795 HB2 ARG 103 HB2 ARG 103 -0.496 -2.644 18.476 796 HB3 ARG 103 HB3 ARG 103 1.216 -2.888 18.823 797 HG2 ARG 103 HG2 ARG 103 0.730 -2.159 21.230 798 HG3 ARG 103 HG3 ARG 103 -0.993 -2.171 20.799 799 HD2 ARG 103 HD2 ARG 103 -0.685 -4.582 20.061 800 HD3 ARG 103 HD3 ARG 103 0.945 -4.516 20.749 801 HE ARG 103 HE ARG 103 -0.568 -3.668 22.836 802 HH11 ARG 103 HH11 ARG 103 -0.899 -6.534 20.742 803 HH12 ARG 103 HH12 ARG 103 -1.663 -7.488 21.994 804 HH21 ARG 103 HH21 ARG 103 -1.558 -4.930 24.421 805 HH22 ARG 103 HH22 ARG 103 -2.035 -6.580 24.079 806 H GLY 104 H GLY 104 -1.627 -0.519 17.664 807 HA2 GLY 104 HA2 GLY 104 -3.740 0.258 18.562 808 HA3 GLY 104 HA3 GLY 104 -2.878 1.182 19.785 809 H ILE 105 H ILE 105 -3.961 3.092 19.288 810 HA ILE 105 HA ILE 105 -4.272 4.062 16.649 811 HB ILE 105 HB ILE 105 -5.263 5.994 17.506 812 HG12 ILE 105 HG12 ILE 105 -3.805 6.730 19.275 813 HG13 ILE 105 HG13 ILE 105 -5.465 6.646 19.815 814 HG21 ILE 105 HG21 ILE 105 -6.108 3.636 19.223 815 HG22 ILE 105 HG22 ILE 105 -7.080 5.062 18.810 816 HG23 ILE 105 HG23 ILE 105 -6.574 3.940 17.539 817 HD11 ILE 105 HD11 ILE 105 -3.935 5.908 21.552 818 HD12 ILE 105 HD12 ILE 105 -4.976 4.559 21.061 819 HD13 ILE 105 HD13 ILE 105 -3.279 4.639 20.519 820 HA PRO 106 HA PRO 106 -0.521 6.015 15.561 821 HB2 PRO 106 HB2 PRO 106 -2.242 8.304 14.572 822 HB3 PRO 106 HB3 PRO 106 -0.856 7.512 13.767 823 HG2 PRO 106 HG2 PRO 106 -3.374 6.824 13.094 824 HG3 PRO 106 HG3 PRO 106 -2.169 5.522 13.381 825 HD2 PRO 106 HD2 PRO 106 -4.290 6.575 15.267 826 HD3 PRO 106 HD3 PRO 106 -3.844 4.889 14.869 827 HHA HEC 107 HHA HEC 107 -4.643 -3.927 0.385 828 HHB HEC 107 HHB HEC 107 0.491 -0.233 1.465 829 HHC HEC 107 HHC HEC 107 -3.266 3.950 4.686 830 HHD HEC 107 HHD HEC 107 -8.130 -0.274 4.385 831 HMA1 HEC 107 HMA1 HEC 107 1.190 -2.413 1.018 832 HMA2 HEC 107 HMA2 HEC 107 0.640 -3.767 0.046 833 HMA3 HEC 107 HMA3 HEC 107 0.791 -2.163 -0.699 834 HAA1 HEC 107 HAA1 HEC 107 -1.302 -5.112 0.476 835 HAA2 HEC 107 HAA2 HEC 107 -2.921 -5.085 -0.145 836 HBA1 HEC 107 HBA1 HEC 107 -2.263 -4.739 -2.343 837 HBA2 HEC 107 HBA2 HEC 107 -0.714 -4.005 -1.887 838 HMB1 HEC 107 HMB1 HEC 107 1.530 2.757 1.786 839 HMB2 HEC 107 HMB2 HEC 107 1.818 2.563 3.520 840 HMB3 HEC 107 HMB3 HEC 107 1.794 1.157 2.519 841 HAB HEC 107 HAB HEC 107 -1.405 4.777 4.527 842 HBB1 HEC 107 HBB1 HEC 107 -1.150 5.327 2.197 843 HBB2 HEC 107 HBB2 HEC 107 -0.026 6.249 3.197 844 HBB3 HEC 107 HBB3 HEC 107 0.563 4.881 2.246 845 HMC1 HEC 107 HMC1 HEC 107 -4.886 4.282 6.570 846 HMC2 HEC 107 HMC2 HEC 107 -5.534 5.087 5.122 847 HMC3 HEC 107 HMC3 HEC 107 -6.618 4.487 6.369 848 HAC HEC 107 HAC HEC 107 -8.461 1.083 5.926 849 HBC1 HEC 107 HBC1 HEC 107 -8.664 4.075 5.571 850 HBC2 HEC 107 HBC2 HEC 107 -9.285 2.840 4.461 851 HBC3 HEC 107 HBC3 HEC 107 -9.940 2.967 6.107 852 HMD1 HEC 107 HMD1 HEC 107 -9.040 -2.341 4.318 853 HMD2 HEC 107 HMD2 HEC 107 -9.602 -2.400 2.629 854 HMD3 HEC 107 HMD3 HEC 107 -8.970 -3.851 3.429 855 HAD1 HEC 107 HAD1 HEC 107 -8.200 -4.651 1.382 856 HAD2 HEC 107 HAD2 HEC 107 -6.802 -4.600 0.348 857 HBD1 HEC 107 HBD1 HEC 107 -6.917 -5.722 3.186 858 HBD2 HEC 107 HBD2 HEC 107 -6.787 -6.623 1.675 Start of MODEL 10 1 H SER 1 H SER 1 15.678 5.224 7.827 2 HA SER 1 HA SER 1 14.670 5.688 5.839 3 HB2 SER 1 HB2 SER 1 13.729 2.827 6.237 4 HB3 SER 1 HB3 SER 1 13.720 3.694 4.687 5 HG SER 1 HG SER 1 15.675 2.316 5.551 6 H GLY 2 H GLY 2 11.968 4.393 5.008 7 HA2 GLY 2 HA2 GLY 2 10.234 6.502 5.531 8 HA3 GLY 2 HA3 GLY 2 9.773 4.928 4.968 9 H GLU 3 H GLU 3 11.101 4.653 8.167 10 HA GLU 3 HA GLU 3 8.578 3.611 9.098 11 HB2 GLU 3 HB2 GLU 3 10.843 2.778 9.736 12 HB3 GLU 3 HB3 GLU 3 11.107 4.277 10.628 13 HG2 GLU 3 HG2 GLU 3 9.148 3.676 12.098 14 HG3 GLU 3 HG3 GLU 3 8.982 2.166 11.200 15 H GLN 4 H GLN 4 10.205 6.747 9.723 16 HA GLN 4 HA GLN 4 8.273 7.515 11.803 17 HB2 GLN 4 HB2 GLN 4 10.520 9.014 10.430 18 HB3 GLN 4 HB3 GLN 4 9.391 9.773 11.563 19 HG2 GLN 4 HG2 GLN 4 10.032 8.191 13.338 20 HG3 GLN 4 HG3 GLN 4 11.119 7.353 12.234 21 HE21 GLN 4 HE21 GLN 4 12.715 7.870 14.047 22 HE22 GLN 4 HE22 GLN 4 13.598 9.378 13.778 23 H ILE 5 H ILE 5 8.427 7.738 8.315 24 HA ILE 5 HA ILE 5 5.929 9.313 8.191 25 HB ILE 5 HB ILE 5 7.254 7.454 6.145 26 HG12 ILE 5 HG12 ILE 5 7.207 10.495 6.091 27 HG13 ILE 5 HG13 ILE 5 8.545 9.583 6.767 28 HG21 ILE 5 HG21 ILE 5 5.001 9.457 5.716 29 HG22 ILE 5 HG22 ILE 5 5.761 8.447 4.470 30 HG23 ILE 5 HG23 ILE 5 4.812 7.683 5.728 31 HD11 ILE 5 HD11 ILE 5 9.162 10.136 4.534 32 HD12 ILE 5 HD12 ILE 5 8.825 8.399 4.560 33 HD13 ILE 5 HD13 ILE 5 7.639 9.534 3.868 34 H PHE 6 H PHE 6 6.636 5.716 7.790 35 HA PHE 6 HA PHE 6 4.014 4.992 7.394 36 HB2 PHE 6 HB2 PHE 6 5.829 3.369 7.226 37 HB3 PHE 6 HB3 PHE 6 6.085 3.416 8.963 38 HD1 PHE 6 HD2 PHE 6 3.579 2.474 6.331 39 HD2 PHE 6 HD1 PHE 6 4.745 2.078 10.461 40 HE1 PHE 6 HE2 PHE 6 1.770 0.825 6.679 41 HE2 PHE 6 HE1 PHE 6 2.928 0.425 10.807 42 HZ PHE 6 HZ PHE 6 1.421 -0.186 8.923 43 H ARG 7 H ARG 7 5.534 5.158 10.643 44 HA ARG 7 HA ARG 7 3.234 4.282 12.055 45 HB2 ARG 7 HB2 ARG 7 5.841 4.427 12.647 46 HB3 ARG 7 HB3 ARG 7 5.388 5.989 13.309 47 HG2 ARG 7 HG2 ARG 7 5.227 4.534 15.153 48 HG3 ARG 7 HG3 ARG 7 3.550 4.679 14.636 49 HD2 ARG 7 HD2 ARG 7 3.929 2.361 15.052 50 HD3 ARG 7 HD3 ARG 7 3.893 2.526 13.291 51 HE ARG 7 HE ARG 7 6.521 2.689 14.642 52 HH11 ARG 7 HH11 ARG 7 4.317 0.605 12.753 53 HH12 ARG 7 HH12 ARG 7 5.593 -0.516 12.334 54 HH21 ARG 7 HH21 ARG 7 8.116 1.229 14.069 55 HH22 ARG 7 HH22 ARG 7 7.738 -0.164 13.080 56 H THR 8 H THR 8 3.870 7.358 10.680 57 HA THR 8 HA THR 8 1.968 8.784 12.511 58 HB THR 8 HB THR 8 3.007 10.859 11.672 59 HG1 THR 8 HG1 THR 8 5.161 9.611 10.592 60 HG21 THR 8 HG21 THR 8 5.101 8.915 12.743 61 HG22 THR 8 HG22 THR 8 3.956 9.852 13.724 62 HG23 THR 8 HG23 THR 8 5.189 10.688 12.768 63 H ARG 9 H ARG 9 2.676 8.164 9.096 64 HA ARG 9 HA ARG 9 0.379 9.749 8.165 65 HB2 ARG 9 HB2 ARG 9 2.745 10.145 7.445 66 HB3 ARG 9 HB3 ARG 9 2.785 8.517 6.771 67 HG2 ARG 9 HG2 ARG 9 2.552 10.166 5.047 68 HG3 ARG 9 HG3 ARG 9 1.130 9.134 5.065 69 HD2 ARG 9 HD2 ARG 9 -0.193 10.870 6.146 70 HD3 ARG 9 HD3 ARG 9 1.251 11.858 6.420 71 HE ARG 9 HE ARG 9 1.482 12.179 4.027 72 HH11 ARG 9 HH11 ARG 9 -1.749 11.044 5.047 73 HH12 ARG 9 HH12 ARG 9 -2.512 11.640 3.592 74 HH21 ARG 9 HH21 ARG 9 0.469 12.900 2.189 75 HH22 ARG 9 HH22 ARG 9 -1.253 12.689 1.967 76 H CYS 10 H CYS 10 1.271 6.392 8.519 77 HA CYS 10 HA CYS 10 -0.680 5.612 6.389 78 HB2 CYS 10 HB2 CYS 10 1.714 5.574 5.721 79 HB3 CYS 10 HB3 CYS 10 2.023 4.418 7.009 80 H SER 11 H SER 11 0.491 4.739 9.623 81 HA SER 11 HA SER 11 -0.759 2.139 9.645 82 HB2 SER 11 HB2 SER 11 -0.042 2.096 11.952 83 HB3 SER 11 HB3 SER 11 1.240 2.735 10.921 84 HG SER 11 HG SER 11 0.748 3.840 12.947 85 H SER 12 H SER 12 -1.949 2.159 12.263 86 HA SER 12 HA SER 12 -3.904 2.193 13.267 87 HB2 SER 12 HB2 SER 12 -4.451 4.886 12.015 88 HB3 SER 12 HB3 SER 12 -5.263 4.162 13.412 89 HG SER 12 HG SER 12 -2.677 5.208 13.171 90 H CYS 13 H CYS 13 -3.849 1.496 10.159 91 HA CYS 13 HA CYS 13 -6.431 0.135 10.634 92 HB2 CYS 13 HB2 CYS 13 -5.576 0.782 7.813 93 HB3 CYS 13 HB3 CYS 13 -7.028 -0.030 8.342 94 H HIS 14 H HIS 14 -3.391 0.137 8.674 95 HA HIS 14 HA HIS 14 -3.131 -2.799 9.011 96 HB2 HIS 14 2HB HIS 14 -1.286 -0.892 7.537 97 HB3 HIS 14 3HB HIS 14 -1.222 -2.627 7.491 98 HD1 HIS 14 1HD HIS 14 -3.113 -3.870 5.926 99 HD2 HIS 14 2HD HIS 14 -2.727 0.280 5.953 100 HE1 HIS 14 1HE HIS 14 -4.182 -3.092 3.755 101 H THR 15 H THR 15 -1.122 -3.529 9.310 102 HA THR 15 HA THR 15 1.090 -2.024 10.312 103 HB THR 15 HB THR 15 1.851 -3.382 12.085 104 HG1 THR 15 HG1 THR 15 -0.488 -4.927 11.711 105 HG21 THR 15 HG21 THR 15 0.343 -3.062 13.904 106 HG22 THR 15 HG22 THR 15 -1.047 -2.858 12.815 107 HG23 THR 15 HG23 THR 15 0.253 -1.645 12.846 108 H VAL 16 H VAL 16 3.073 -3.568 10.277 109 HA VAL 16 HA VAL 16 2.900 -5.535 8.003 110 HB VAL 16 HB VAL 16 5.219 -4.005 9.242 111 HG11 VAL 16 HG11 VAL 16 6.034 -6.149 8.290 112 HG12 VAL 16 HG12 VAL 16 5.232 -5.763 6.747 113 HG13 VAL 16 HG13 VAL 16 6.572 -4.775 7.329 114 HG21 VAL 16 HG21 VAL 16 4.105 -3.646 6.436 115 HG22 VAL 16 HG22 VAL 16 3.579 -2.628 7.785 116 HG23 VAL 16 HG23 VAL 16 5.277 -2.637 7.289 117 H GLY 17 H GLY 17 1.687 -6.835 9.643 118 HA2 GLY 17 HA2 GLY 17 1.712 -8.876 10.719 119 HA3 GLY 17 HA3 GLY 17 3.467 -8.893 10.633 120 H ASN 18 H ASN 18 2.906 -6.078 12.203 121 HA ASN 18 HA ASN 18 3.675 -7.168 14.779 122 HB2 ASN 18 HB2 ASN 18 4.503 -5.017 13.776 123 HB3 ASN 18 HB3 ASN 18 2.891 -4.322 14.005 124 HD21 ASN 18 HD21 ASN 18 5.864 -5.336 15.622 125 HD22 ASN 18 HD22 ASN 18 5.336 -4.791 17.220 126 H THR 19 H THR 19 0.674 -6.116 13.386 127 HA THR 19 HA THR 19 -1.449 -5.948 13.949 128 HB THR 19 HB THR 19 -1.051 -7.526 16.488 129 HG1 THR 19 HG1 THR 19 -0.390 -9.007 15.268 130 HG21 THR 19 HG21 THR 19 -3.313 -8.375 15.926 131 HG22 THR 19 HG22 THR 19 -3.370 -7.285 14.522 132 HG23 THR 19 HG23 THR 19 -3.321 -6.624 16.173 133 H GLU 20 H GLU 20 0.784 -4.979 16.494 134 HA GLU 20 HA GLU 20 0.798 -3.401 18.045 135 HB2 GLU 20 HB2 GLU 20 -0.919 -2.064 15.970 136 HB3 GLU 20 HB3 GLU 20 -0.814 -1.323 17.550 137 HG2 GLU 20 HG2 GLU 20 1.710 -1.447 17.387 138 HG3 GLU 20 HG3 GLU 20 1.524 -2.007 15.721 139 HA PRO 21 HA PRO 21 -1.883 -4.382 21.210 140 HB2 PRO 21 HB2 PRO 21 -1.958 -2.229 22.932 141 HB3 PRO 21 HB3 PRO 21 -0.528 -3.270 22.674 142 HG2 PRO 21 HG2 PRO 21 -1.171 -0.617 21.340 143 HG3 PRO 21 HG3 PRO 21 0.366 -1.114 22.123 144 HD2 PRO 21 HD2 PRO 21 0.086 -1.263 19.473 145 HD3 PRO 21 HD3 PRO 21 0.907 -2.582 20.349 146 H GLY 22 H GLY 22 -2.988 -1.484 19.500 147 HA2 GLY 22 HA2 GLY 22 -5.671 -1.435 20.591 148 HA3 GLY 22 HA3 GLY 22 -5.116 -0.693 19.089 149 H GLN 23 H GLN 23 -7.537 -1.646 18.895 150 HA GLN 23 HA GLN 23 -7.720 -4.419 18.193 151 HB2 GLN 23 HB2 GLN 23 -9.614 -2.085 17.766 152 HB3 GLN 23 HB3 GLN 23 -9.979 -3.747 17.310 153 HG2 GLN 23 HG2 GLN 23 -10.995 -3.336 19.446 154 HG3 GLN 23 HG3 GLN 23 -9.693 -4.492 19.656 155 HE21 GLN 23 HE21 GLN 23 -9.528 -3.986 21.960 156 HE22 GLN 23 HE22 GLN 23 -8.809 -2.449 22.461 157 HA PRO 24 HA PRO 24 -6.711 -3.904 13.753 158 HB2 PRO 24 HB2 PRO 24 -6.548 -6.493 13.047 159 HB3 PRO 24 HB3 PRO 24 -5.396 -5.802 14.219 160 HG2 PRO 24 HG2 PRO 24 -7.928 -7.376 14.824 161 HG3 PRO 24 HG3 PRO 24 -6.273 -7.667 15.450 162 HD2 PRO 24 HD2 PRO 24 -8.192 -6.179 16.788 163 HD3 PRO 24 HD3 PRO 24 -6.432 -5.897 16.959 164 H GLY 25 H GLY 25 -7.906 -5.640 11.838 165 HA2 GLY 25 HA2 GLY 25 -9.960 -6.720 11.296 166 HA3 GLY 25 HA3 GLY 25 -10.846 -5.603 12.325 167 H ILE 26 H ILE 26 -9.045 -3.400 10.870 168 HA ILE 26 HA ILE 26 -10.872 -3.075 8.527 169 HB ILE 26 HB ILE 26 -8.853 -1.124 9.697 170 HG12 ILE 26 HG12 ILE 26 -11.897 -1.162 9.935 171 HG13 ILE 26 HG13 ILE 26 -10.771 -1.580 11.223 172 HG21 ILE 26 HG21 ILE 26 -11.012 -0.723 7.581 173 HG22 ILE 26 HG22 ILE 26 -9.924 0.524 8.208 174 HG23 ILE 26 HG23 ILE 26 -9.269 -0.802 7.260 175 HD11 ILE 26 HD11 ILE 26 -9.814 0.739 11.110 176 HD12 ILE 26 HD12 ILE 26 -11.138 1.168 9.995 177 HD13 ILE 26 HD13 ILE 26 -11.506 0.641 11.641 178 H GLY 27 H GLY 27 -7.352 -2.998 9.291 179 HA2 GLY 27 HA2 GLY 27 -6.649 -3.196 6.453 180 HA3 GLY 27 HA3 GLY 27 -5.545 -3.055 7.802 181 HA PRO 28 HA PRO 28 -5.557 -7.670 6.642 182 HB2 PRO 28 HB2 PRO 28 -4.473 -6.961 3.948 183 HB3 PRO 28 HB3 PRO 28 -5.490 -8.351 4.423 184 HG2 PRO 28 HG2 PRO 28 -6.531 -6.260 3.023 185 HG3 PRO 28 HG3 PRO 28 -7.463 -7.014 4.361 186 HD2 PRO 28 HD2 PRO 28 -5.759 -4.509 4.448 187 HD3 PRO 28 HD3 PRO 28 -7.429 -4.759 5.046 188 H ASP 29 H ASP 29 -3.305 -8.705 6.364 189 HA ASP 29 HA ASP 29 -1.440 -6.984 7.772 190 HB2 ASP 29 HB2 ASP 29 -0.144 -8.934 8.145 191 HB3 ASP 29 HB3 ASP 29 -1.837 -9.288 8.455 192 H LEU 30 H LEU 30 0.334 -5.904 7.055 193 HA LEU 30 HA LEU 30 1.090 -6.169 4.194 194 HB2 LEU 30 HB2 LEU 30 1.936 -4.175 6.308 195 HB3 LEU 30 HB3 LEU 30 2.371 -4.096 4.599 196 HG LEU 30 HG LEU 30 -0.427 -3.874 5.761 197 HD11 LEU 30 HD11 LEU 30 -0.235 -1.506 5.018 198 HD12 LEU 30 HD12 LEU 30 1.434 -1.810 4.485 199 HD13 LEU 30 HD13 LEU 30 1.010 -1.918 6.208 200 HD21 LEU 30 HD21 LEU 30 0.561 -3.585 2.877 201 HD22 LEU 30 HD22 LEU 30 -1.066 -3.141 3.444 202 HD23 LEU 30 HD23 LEU 30 -0.554 -4.825 3.494 203 H LEU 31 H LEU 31 1.990 -7.847 6.710 204 HA LEU 31 HA LEU 31 4.610 -7.901 7.397 205 HB2 LEU 31 HB2 LEU 31 2.875 -9.238 8.302 206 HB3 LEU 31 HB3 LEU 31 2.538 -9.997 6.792 207 HG LEU 31 HG LEU 31 3.520 -11.433 8.517 208 HD11 LEU 31 HD11 LEU 31 5.445 -11.387 6.183 209 HD12 LEU 31 HD12 LEU 31 3.776 -11.984 6.088 210 HD13 LEU 31 HD13 LEU 31 4.931 -12.746 7.181 211 HD21 LEU 31 HD21 LEU 31 5.889 -11.366 9.072 212 HD22 LEU 31 HD22 LEU 31 5.043 -9.904 9.583 213 HD23 LEU 31 HD23 LEU 31 6.085 -9.863 8.151 214 H GLY 32 H GLY 32 3.454 -9.169 4.291 215 HA2 GLY 32 HA2 GLY 32 6.301 -9.556 3.401 216 HA3 GLY 32 HA3 GLY 32 5.013 -10.691 3.011 217 H VAL 33 H VAL 33 4.162 -7.290 2.887 218 HA VAL 33 HA VAL 33 2.934 -7.775 0.461 219 HB VAL 33 HB VAL 33 2.311 -6.076 2.130 220 HG11 VAL 33 HG11 VAL 33 4.492 -4.901 2.360 221 HG12 VAL 33 HG12 VAL 33 4.295 -4.246 0.716 222 HG13 VAL 33 HG13 VAL 33 3.152 -3.808 1.999 223 HG21 VAL 33 HG21 VAL 33 2.376 -5.088 -0.740 224 HG22 VAL 33 HG22 VAL 33 1.201 -6.224 -0.050 225 HG23 VAL 33 HG23 VAL 33 1.264 -4.562 0.544 226 H THR 34 H THR 34 6.154 -6.320 0.753 227 HA THR 34 HA THR 34 6.392 -5.635 -2.050 228 HB THR 34 HB THR 34 7.809 -4.533 -0.457 229 HG1 THR 34 HG1 THR 34 9.813 -4.947 -1.519 230 HG21 THR 34 HG21 THR 34 8.159 -6.212 1.263 231 HG22 THR 34 HG22 THR 34 9.722 -5.713 0.615 232 HG23 THR 34 HG23 THR 34 9.018 -7.269 0.121 233 H ARG 35 H ARG 35 6.539 -8.714 -0.461 234 HA ARG 35 HA ARG 35 7.873 -10.015 -2.798 235 HB2 ARG 35 HB2 ARG 35 6.863 -11.330 -0.258 236 HB3 ARG 35 HB3 ARG 35 7.963 -11.993 -1.461 237 HG2 ARG 35 HG2 ARG 35 8.543 -9.744 0.511 238 HG3 ARG 35 HG3 ARG 35 9.169 -11.389 0.561 239 HD2 ARG 35 HD2 ARG 35 10.448 -11.022 -1.497 240 HD3 ARG 35 HD3 ARG 35 9.750 -9.404 -1.671 241 HE ARG 35 HE ARG 35 11.350 -10.152 0.736 242 HH11 ARG 35 HH11 ARG 35 10.927 -7.986 -2.072 243 HH12 ARG 35 HH12 ARG 35 12.144 -6.864 -1.511 244 HH21 ARG 35 HH21 ARG 35 12.897 -8.660 1.423 245 HH22 ARG 35 HH22 ARG 35 13.251 -7.242 0.461 246 H GLN 36 H GLN 36 4.726 -9.667 -1.208 247 HA GLN 36 HA GLN 36 3.294 -11.616 -2.783 248 HB2 GLN 36 HB2 GLN 36 2.389 -9.139 -1.267 249 HB3 GLN 36 HB3 GLN 36 1.279 -10.279 -2.019 250 HG2 GLN 36 HG2 GLN 36 1.932 -12.067 -0.554 251 HG3 GLN 36 HG3 GLN 36 3.285 -11.137 0.096 252 HE21 GLN 36 HE21 GLN 36 -0.265 -11.577 0.310 253 HE22 GLN 36 HE22 GLN 36 -0.421 -10.462 1.662 254 H ARG 37 H ARG 37 4.149 -8.233 -3.419 255 HA ARG 37 HA ARG 37 2.586 -8.275 -5.969 256 HB2 ARG 37 HB2 ARG 37 2.886 -5.974 -4.020 257 HB3 ARG 37 HB3 ARG 37 2.003 -5.928 -5.546 258 HG2 ARG 37 HG2 ARG 37 1.288 -7.628 -3.121 259 HG3 ARG 37 HG3 ARG 37 0.512 -6.130 -3.609 260 HD2 ARG 37 HD2 ARG 37 -0.413 -7.127 -5.596 261 HD3 ARG 37 HD3 ARG 37 0.557 -8.585 -5.408 262 HE ARG 37 HE ARG 37 -1.555 -7.757 -3.463 263 HH11 ARG 37 HH11 ARG 37 -0.053 -10.379 -5.372 264 HH12 ARG 37 HH12 ARG 37 -1.028 -11.612 -4.605 265 HH21 ARG 37 HH21 ARG 37 -2.758 -9.382 -2.506 266 HH22 ARG 37 HH22 ARG 37 -2.552 -11.052 -2.988 267 H ASP 38 H ASP 38 3.174 -6.827 -7.605 268 HA ASP 38 HA ASP 38 5.960 -6.993 -8.235 269 HB2 ASP 38 HB2 ASP 38 4.067 -7.163 -9.865 270 HB3 ASP 38 HB3 ASP 38 3.746 -5.451 -9.629 271 H ALA 39 H ALA 39 7.570 -5.549 -8.345 272 HA ALA 39 HA ALA 39 7.713 -3.532 -6.444 273 HB1 ALA 39 HB1 ALA 39 9.584 -4.875 -7.482 274 HB2 ALA 39 HB2 ALA 39 9.413 -3.886 -8.952 275 HB3 ALA 39 HB3 ALA 39 9.929 -3.131 -7.436 276 H ASN 40 H ASN 40 6.333 -3.117 -9.575 277 HA ASN 40 HA ASN 40 6.416 -0.166 -9.105 278 HB2 ASN 40 HB2 ASN 40 6.318 -1.655 -11.742 279 HB3 ASN 40 HB3 ASN 40 5.920 0.059 -11.551 280 HD21 ASN 40 HD21 ASN 40 8.560 -2.298 -11.432 281 HD22 ASN 40 HD22 ASN 40 9.837 -1.104 -11.297 282 H TRP 41 H TRP 41 4.197 -2.861 -10.148 283 HA TRP 41 HA TRP 41 1.841 -1.287 -10.144 284 HB2 TRP 41 HB2 TRP 41 1.907 -3.671 -10.912 285 HB3 TRP 41 HB3 TRP 41 2.066 -4.167 -9.231 286 HD1 TRP 41 HD1 TRP 41 -0.544 -2.637 -11.600 287 HE1 TRP 41 HE1 TRP 41 -2.894 -2.979 -10.605 288 HE3 TRP 41 HE3 TRP 41 0.782 -4.423 -6.982 289 HZ2 TRP 41 HZ2 TRP 41 -3.995 -3.522 -8.004 290 HZ3 TRP 41 HZ3 TRP 41 -0.948 -4.690 -5.206 291 HH2 TRP 41 HH2 TRP 41 -3.326 -4.219 -5.701 292 H LEU 42 H LEU 42 3.424 -2.908 -7.339 293 HA LEU 42 HA LEU 42 1.439 -2.421 -5.405 294 HB2 LEU 42 HB2 LEU 42 3.415 -3.835 -5.064 295 HB3 LEU 42 HB3 LEU 42 4.488 -2.450 -5.233 296 HG LEU 42 HG LEU 42 3.693 -1.491 -3.134 297 HD11 LEU 42 HD11 LEU 42 2.216 -2.775 -1.624 298 HD12 LEU 42 HD12 LEU 42 1.922 -3.964 -2.914 299 HD13 LEU 42 HD13 LEU 42 1.362 -2.290 -3.095 300 HD21 LEU 42 HD21 LEU 42 4.407 -4.435 -2.834 301 HD22 LEU 42 HD22 LEU 42 4.621 -3.163 -1.609 302 HD23 LEU 42 HD23 LEU 42 5.559 -3.110 -3.109 303 H VAL 43 H VAL 43 3.947 -0.262 -6.631 304 HA VAL 43 HA VAL 43 3.438 1.878 -4.731 305 HB VAL 43 HB VAL 43 5.035 2.077 -7.313 306 HG11 VAL 43 HG11 VAL 43 6.275 3.788 -6.046 307 HG12 VAL 43 HG12 VAL 43 4.558 4.201 -6.077 308 HG13 VAL 43 HG13 VAL 43 5.271 3.472 -4.616 309 HG21 VAL 43 HG21 VAL 43 7.041 1.522 -5.882 310 HG22 VAL 43 HG22 VAL 43 5.932 0.959 -4.615 311 HG23 VAL 43 HG23 VAL 43 5.984 0.151 -6.193 312 H ARG 44 H ARG 44 2.792 1.371 -8.225 313 HA ARG 44 HA ARG 44 1.401 3.810 -8.713 314 HB2 ARG 44 HB2 ARG 44 1.252 1.082 -10.049 315 HB3 ARG 44 HB3 ARG 44 0.398 2.508 -10.653 316 HG2 ARG 44 HG2 ARG 44 2.539 3.744 -10.827 317 HG3 ARG 44 HG3 ARG 44 3.427 2.309 -10.313 318 HD2 ARG 44 HD2 ARG 44 1.675 2.496 -12.805 319 HD3 ARG 44 HD3 ARG 44 3.426 2.682 -12.777 320 HE ARG 44 HE ARG 44 3.728 0.400 -12.271 321 HH11 ARG 44 HH11 ARG 44 0.274 1.124 -12.829 322 HH12 ARG 44 HH12 ARG 44 -0.113 -0.541 -13.198 323 HH21 ARG 44 HH21 ARG 44 3.176 -1.727 -12.776 324 HH22 ARG 44 HH22 ARG 44 1.524 -2.148 -13.168 325 H TRP 45 H TRP 45 0.232 0.751 -7.366 326 HA TRP 45 HA TRP 45 -2.569 1.486 -7.163 327 HB2 TRP 45 HB2 TRP 45 -2.103 -0.815 -7.035 328 HB3 TRP 45 HB3 TRP 45 -0.741 -0.589 -5.955 329 HD1 TRP 45 HD1 TRP 45 -1.079 -0.857 -3.498 330 HE1 TRP 45 HE1 TRP 45 -3.091 -1.384 -1.948 331 HE3 TRP 45 HE3 TRP 45 -4.884 0.032 -6.764 332 HZ2 TRP 45 HZ2 TRP 45 -5.982 -1.332 -2.114 333 HZ3 TRP 45 HZ3 TRP 45 -7.240 -0.146 -6.063 334 HH2 TRP 45 HH2 TRP 45 -7.804 -0.871 -3.725 335 H LEU 46 H LEU 46 -0.002 1.352 -4.631 336 HA LEU 46 HA LEU 46 -1.859 2.119 -2.679 337 HB2 LEU 46 HB2 LEU 46 -0.068 1.992 -1.100 338 HB3 LEU 46 HB3 LEU 46 0.095 0.728 -2.310 339 HG LEU 46 HG LEU 46 1.854 2.133 -3.443 340 HD11 LEU 46 HD11 LEU 46 1.685 4.310 -2.616 341 HD12 LEU 46 HD12 LEU 46 3.117 3.658 -1.836 342 HD13 LEU 46 HD13 LEU 46 1.589 3.768 -0.928 343 HD21 LEU 46 HD21 LEU 46 2.292 0.158 -1.966 344 HD22 LEU 46 HD22 LEU 46 2.438 1.266 -0.581 345 HD23 LEU 46 HD23 LEU 46 3.586 1.349 -1.927 346 H LYS 47 H LYS 47 -0.222 4.217 -4.746 347 HA LYS 47 HA LYS 47 -0.228 6.616 -3.115 348 HB2 LYS 47 HB2 LYS 47 1.222 6.102 -5.141 349 HB3 LYS 47 HB3 LYS 47 -0.204 6.274 -6.153 350 HG2 LYS 47 HG2 LYS 47 -0.453 8.632 -5.486 351 HG3 LYS 47 HG3 LYS 47 0.875 8.468 -4.317 352 HD2 LYS 47 HD2 LYS 47 2.432 7.916 -6.159 353 HD3 LYS 47 HD3 LYS 47 1.132 8.109 -7.335 354 HE2 LYS 47 HE2 LYS 47 2.170 10.284 -5.462 355 HE3 LYS 47 HE3 LYS 47 2.679 10.056 -7.139 356 HZ1 LYS 47 HZ1 LYS 47 1.006 11.718 -7.097 357 HZ2 LYS 47 HZ2 LYS 47 -0.056 10.832 -6.241 358 HZ3 LYS 47 HZ3 LYS 47 0.306 10.407 -7.792 359 H VAL 48 H VAL 48 -2.634 5.050 -5.161 360 HA VAL 48 HA VAL 48 -4.555 7.299 -4.891 361 HB VAL 48 HB VAL 48 -2.750 7.805 -6.588 362 HG11 VAL 48 HG11 VAL 48 -2.622 5.476 -7.552 363 HG12 VAL 48 HG12 VAL 48 -4.090 5.869 -8.475 364 HG13 VAL 48 HG13 VAL 48 -2.627 6.833 -8.678 365 HG21 VAL 48 HG21 VAL 48 -4.515 9.205 -6.761 366 HG22 VAL 48 HG22 VAL 48 -4.386 8.561 -8.398 367 HG23 VAL 48 HG23 VAL 48 -5.651 7.960 -7.300 368 HA PRO 49 HA PRO 49 -5.901 2.735 -5.840 369 HB2 PRO 49 HB2 PRO 49 -7.335 2.103 -3.568 370 HB3 PRO 49 HB3 PRO 49 -5.552 1.954 -3.676 371 HG2 PRO 49 HG2 PRO 49 -7.132 4.332 -2.622 372 HG3 PRO 49 HG3 PRO 49 -5.856 3.418 -1.768 373 HD2 PRO 49 HD2 PRO 49 -5.187 5.646 -3.052 374 HD3 PRO 49 HD3 PRO 49 -4.177 4.187 -3.298 375 H ASP 50 H ASP 50 -7.961 5.316 -4.385 376 HA ASP 50 HA ASP 50 -10.433 4.350 -5.407 377 HB2 ASP 50 HB2 ASP 50 -10.073 6.169 -3.656 378 HB3 ASP 50 HB3 ASP 50 -9.718 7.281 -4.986 379 H GLN 51 H GLN 51 -7.816 5.998 -7.085 380 HA GLN 51 HA GLN 51 -9.448 6.485 -9.497 381 HB2 GLN 51 HB2 GLN 51 -7.560 8.020 -8.661 382 HB3 GLN 51 HB3 GLN 51 -6.445 6.751 -9.209 383 HG2 GLN 51 HG2 GLN 51 -7.519 6.928 -11.495 384 HG3 GLN 51 HG3 GLN 51 -8.482 8.280 -10.887 385 HE21 GLN 51 HE21 GLN 51 -5.184 7.144 -11.581 386 HE22 GLN 51 HE22 GLN 51 -4.530 8.751 -11.866 387 H MET 52 H MET 52 -7.037 4.126 -8.220 388 HA MET 52 HA MET 52 -6.708 2.813 -10.728 389 HB2 MET 52 HB2 MET 52 -5.116 2.543 -8.879 390 HB3 MET 52 HB3 MET 52 -6.322 1.617 -7.954 391 HG2 MET 52 HG2 MET 52 -6.392 -0.118 -9.617 392 HG3 MET 52 HG3 MET 52 -5.506 0.874 -10.769 393 HE1 MET 52 HE1 MET 52 -3.001 1.011 -11.039 394 HE2 MET 52 HE2 MET 52 -2.951 1.897 -9.496 395 HE3 MET 52 HE3 MET 52 -1.834 0.540 -9.782 396 H LEU 53 H LEU 53 -9.064 2.188 -8.088 397 HA LEU 53 HA LEU 53 -10.402 0.050 -9.561 398 HB2 LEU 53 HB2 LEU 53 -11.303 1.771 -7.228 399 HB3 LEU 53 HB3 LEU 53 -12.238 0.428 -7.884 400 HG LEU 53 HG LEU 53 -9.442 0.150 -6.730 401 HD11 LEU 53 HD11 LEU 53 -10.538 -0.841 -4.769 402 HD12 LEU 53 HD12 LEU 53 -12.135 -0.541 -5.489 403 HD13 LEU 53 HD13 LEU 53 -11.087 0.822 -5.018 404 HD21 LEU 53 HD21 LEU 53 -9.973 -2.277 -6.618 405 HD22 LEU 53 HD22 LEU 53 -9.932 -1.695 -8.282 406 HD23 LEU 53 HD23 LEU 53 -11.493 -1.978 -7.482 407 H ALA 54 H ALA 54 -10.493 3.512 -9.905 408 HA ALA 54 HA ALA 54 -13.013 3.479 -11.429 409 HB1 ALA 54 HB1 ALA 54 -10.938 5.691 -11.159 410 HB2 ALA 54 HB2 ALA 54 -12.570 5.828 -11.828 411 HB3 ALA 54 HB3 ALA 54 -12.356 5.470 -10.107 412 H GLU 55 H GLU 55 -9.476 3.620 -12.198 413 HA GLU 55 HA GLU 55 -9.914 3.449 -15.050 414 HB2 GLU 55 HB2 GLU 55 -7.670 3.414 -15.325 415 HB3 GLU 55 HB3 GLU 55 -7.782 4.266 -13.805 416 HG2 GLU 55 HG2 GLU 55 -6.977 2.326 -12.619 417 HG3 GLU 55 HG3 GLU 55 -7.203 1.267 -13.988 418 H LYS 56 H LYS 56 -10.361 1.192 -12.637 419 HA LYS 56 HA LYS 56 -10.599 -1.038 -12.447 420 HB2 LYS 56 HB2 LYS 56 -11.776 -0.673 -15.223 421 HB3 LYS 56 HB3 LYS 56 -11.935 -2.141 -14.240 422 HG2 LYS 56 HG2 LYS 56 -12.899 -0.763 -12.390 423 HG3 LYS 56 HG3 LYS 56 -12.902 0.648 -13.451 424 HD2 LYS 56 HD2 LYS 56 -14.541 -0.378 -14.919 425 HD3 LYS 56 HD3 LYS 56 -14.373 -1.938 -14.077 426 HE2 LYS 56 HE2 LYS 56 -15.111 -0.802 -11.948 427 HE3 LYS 56 HE3 LYS 56 -15.456 0.663 -12.879 428 HZ1 LYS 56 HZ1 LYS 56 -16.722 -1.986 -13.369 429 HZ2 LYS 56 HZ2 LYS 56 -17.127 -0.558 -14.105 430 HZ3 LYS 56 HZ3 LYS 56 -17.421 -0.777 -12.522 431 H ASP 57 H ASP 57 -8.228 -0.768 -12.443 432 HA ASP 57 HA ASP 57 -6.705 -2.427 -14.350 433 HB2 ASP 57 HB2 ASP 57 -5.642 -0.480 -13.147 434 HB3 ASP 57 HB3 ASP 57 -5.860 -1.372 -11.632 435 HA PRO 58 HA PRO 58 -9.193 -5.352 -12.540 436 HB2 PRO 58 HB2 PRO 58 -8.632 -7.552 -14.006 437 HB3 PRO 58 HB3 PRO 58 -9.255 -5.988 -14.664 438 HG2 PRO 58 HG2 PRO 58 -6.302 -6.725 -14.551 439 HG3 PRO 58 HG3 PRO 58 -7.282 -6.441 -16.041 440 HD2 PRO 58 HD2 PRO 58 -5.933 -4.485 -14.824 441 HD3 PRO 58 HD3 PRO 58 -7.615 -4.178 -15.371 442 H LEU 59 H LEU 59 -5.818 -5.822 -12.260 443 HA LEU 59 HA LEU 59 -5.692 -7.996 -10.378 444 HB2 LEU 59 HB2 LEU 59 -3.799 -6.778 -11.669 445 HB3 LEU 59 HB3 LEU 59 -3.853 -5.576 -10.397 446 HG LEU 59 HG LEU 59 -2.038 -7.061 -10.003 447 HD11 LEU 59 HD11 LEU 59 -4.114 -8.071 -8.038 448 HD12 LEU 59 HD12 LEU 59 -3.342 -6.468 -7.943 449 HD13 LEU 59 HD13 LEU 59 -2.361 -7.933 -7.825 450 HD21 LEU 59 HD21 LEU 59 -3.956 -9.419 -10.098 451 HD22 LEU 59 HD22 LEU 59 -2.210 -9.469 -9.792 452 HD23 LEU 59 HD23 LEU 59 -2.803 -8.953 -11.377 453 H ALA 60 H ALA 60 -6.107 -4.404 -9.830 454 HA ALA 60 HA ALA 60 -6.374 -4.714 -6.977 455 HB1 ALA 60 HB1 ALA 60 -5.903 -2.519 -7.961 456 HB2 ALA 60 HB2 ALA 60 -7.483 -2.545 -8.787 457 HB3 ALA 60 HB3 ALA 60 -7.399 -2.526 -7.009 458 H MET 61 H MET 61 -8.669 -4.674 -9.670 459 HA MET 61 HA MET 61 -11.109 -4.655 -8.244 460 HB2 MET 61 HB2 MET 61 -10.555 -5.977 -10.918 461 HB3 MET 61 HB3 MET 61 -12.116 -5.476 -10.307 462 HG2 MET 61 HG2 MET 61 -9.843 -3.555 -10.897 463 HG3 MET 61 HG3 MET 61 -11.121 -3.959 -12.028 464 HE1 MET 61 HE1 MET 61 -13.773 -4.006 -10.108 465 HE2 MET 61 HE2 MET 61 -14.278 -2.366 -10.549 466 HE3 MET 61 HE3 MET 61 -13.549 -3.434 -11.778 467 H LEU 62 H LEU 62 -8.893 -7.335 -8.725 468 HA LEU 62 HA LEU 62 -10.672 -9.485 -7.885 469 HB2 LEU 62 HB2 LEU 62 -7.678 -9.097 -7.745 470 HB3 LEU 62 HB3 LEU 62 -8.470 -10.562 -7.232 471 HG LEU 62 HG LEU 62 -8.649 -9.538 -10.090 472 HD11 LEU 62 HD11 LEU 62 -6.996 -11.250 -10.630 473 HD12 LEU 62 HD12 LEU 62 -6.878 -11.707 -8.915 474 HD13 LEU 62 HD13 LEU 62 -6.327 -10.104 -9.450 475 HD21 LEU 62 HD21 LEU 62 -9.378 -11.837 -10.585 476 HD22 LEU 62 HD22 LEU 62 -10.481 -11.076 -9.436 477 HD23 LEU 62 HD23 LEU 62 -9.286 -12.257 -8.861 478 H LEU 63 H LEU 63 -8.355 -7.278 -6.187 479 HA LEU 63 HA LEU 63 -8.249 -9.070 -3.875 480 HB2 LEU 63 HB2 LEU 63 -7.326 -6.183 -4.176 481 HB3 LEU 63 HB3 LEU 63 -6.814 -7.288 -2.916 482 HG LEU 63 HG LEU 63 -6.248 -7.843 -5.853 483 HD11 LEU 63 HD11 LEU 63 -4.140 -6.668 -5.526 484 HD12 LEU 63 HD12 LEU 63 -4.593 -6.288 -3.842 485 HD13 LEU 63 HD13 LEU 63 -5.529 -5.594 -5.177 486 HD21 LEU 63 HD21 LEU 63 -4.406 -9.175 -4.915 487 HD22 LEU 63 HD22 LEU 63 -5.984 -9.737 -4.306 488 HD23 LEU 63 HD23 LEU 63 -4.942 -8.746 -3.271 489 H PHE 64 H PHE 64 -9.247 -5.802 -4.399 490 HA PHE 64 HA PHE 64 -10.327 -5.314 -1.820 491 HB2 PHE 64 HB2 PHE 64 -10.665 -3.255 -2.535 492 HB3 PHE 64 HB3 PHE 64 -9.963 -3.754 -4.054 493 HD1 PHE 64 HD2 PHE 64 -11.566 -4.548 -5.929 494 HD2 PHE 64 HD1 PHE 64 -12.907 -2.551 -2.357 495 HE1 PHE 64 HE2 PHE 64 -13.759 -4.098 -7.006 496 HE2 PHE 64 HE1 PHE 64 -15.091 -2.072 -3.437 497 HZ PHE 64 HZ PHE 64 -15.535 -2.879 -5.748 498 H GLU 65 H GLU 65 -11.955 -6.814 -4.572 499 HA GLU 65 HA GLU 65 -14.593 -7.011 -3.624 500 HB2 GLU 65 HB2 GLU 65 -13.685 -7.079 -5.932 501 HB3 GLU 65 HB3 GLU 65 -12.881 -8.611 -5.572 502 HG2 GLU 65 HG2 GLU 65 -15.051 -9.658 -5.227 503 HG3 GLU 65 HG3 GLU 65 -15.847 -8.104 -5.576 504 H GLN 66 H GLN 66 -11.713 -8.875 -2.785 505 HA GLN 66 HA GLN 66 -13.342 -10.836 -1.234 506 HB2 GLN 66 HB2 GLN 66 -10.374 -10.900 -1.866 507 HB3 GLN 66 HB3 GLN 66 -11.295 -12.129 -1.000 508 HG2 GLN 66 HG2 GLN 66 -11.550 -11.367 -3.921 509 HG3 GLN 66 HG3 GLN 66 -10.913 -12.870 -3.278 510 HE21 GLN 66 HE21 GLN 66 -13.369 -12.052 -5.049 511 HE22 GLN 66 HE22 GLN 66 -14.706 -12.930 -4.283 512 H TYR 67 H TYR 67 -11.784 -7.899 -0.809 513 HA TYR 67 HA TYR 67 -11.474 -8.307 2.119 514 HB2 TYR 67 HB2 TYR 67 -10.464 -6.125 0.285 515 HB3 TYR 67 HB3 TYR 67 -10.352 -6.070 2.040 516 HD1 TYR 67 HD1 TYR 67 -9.498 -8.603 2.968 517 HD2 TYR 67 HD2 TYR 67 -8.261 -6.494 -0.589 518 HE1 TYR 67 HE1 TYR 67 -7.336 -9.787 3.004 519 HE2 TYR 67 HE2 TYR 67 -6.053 -7.680 -0.515 520 HH TYR 67 HH TYR 67 -5.330 -10.011 2.131 521 H ASN 68 H ASN 68 -14.052 -8.459 1.220 522 HA ASN 68 HA ASN 68 -16.115 -7.804 1.673 523 HB2 ASN 68 HB2 ASN 68 -14.929 -7.695 3.954 524 HB3 ASN 68 HB3 ASN 68 -15.011 -5.941 3.778 525 HD21 ASN 68 HD21 ASN 68 -16.148 -6.138 5.798 526 HD22 ASN 68 HD22 ASN 68 -17.855 -6.594 5.819 527 H ARG 69 H ARG 69 -14.572 -6.209 -0.315 528 HA ARG 69 HA ARG 69 -14.711 -4.426 -1.660 529 HB2 ARG 69 HB2 ARG 69 -17.596 -4.198 -0.765 530 HB3 ARG 69 HB3 ARG 69 -16.885 -3.468 -2.205 531 HG2 ARG 69 HG2 ARG 69 -16.396 -5.695 -3.140 532 HG3 ARG 69 HG3 ARG 69 -17.102 -6.467 -1.702 533 HD2 ARG 69 HD2 ARG 69 -19.264 -5.320 -2.174 534 HD3 ARG 69 HD3 ARG 69 -18.572 -4.638 -3.651 535 HE ARG 69 HE ARG 69 -19.409 -7.411 -3.139 536 HH11 ARG 69 HH11 ARG 69 -17.657 -5.263 -5.392 537 HH12 ARG 69 HH12 ARG 69 -17.790 -6.392 -6.722 538 HH21 ARG 69 HH21 ARG 69 -19.549 -8.831 -4.887 539 HH22 ARG 69 HH22 ARG 69 -18.859 -8.406 -6.437 540 H LEU 70 H LEU 70 -13.909 -3.926 1.198 541 HA LEU 70 HA LEU 70 -14.870 -1.250 1.820 542 HB2 LEU 70 HB2 LEU 70 -14.342 -3.119 3.487 543 HB3 LEU 70 HB3 LEU 70 -12.641 -2.802 3.164 544 HG LEU 70 HG LEU 70 -13.176 -0.321 3.843 545 HD11 LEU 70 HD11 LEU 70 -15.594 -1.716 5.067 546 HD12 LEU 70 HD12 LEU 70 -15.653 -0.511 3.763 547 HD13 LEU 70 HD13 LEU 70 -15.071 -0.042 5.362 548 HD21 LEU 70 HD21 LEU 70 -13.316 -2.585 5.864 549 HD22 LEU 70 HD22 LEU 70 -12.988 -0.874 6.247 550 HD23 LEU 70 HD23 LEU 70 -11.857 -1.790 5.247 551 H ALA 71 H ALA 71 -14.030 -0.734 -0.501 552 HA ALA 71 HA ALA 71 -11.442 -0.592 -1.328 553 HB1 ALA 71 HB1 ALA 71 -13.651 1.436 -1.864 554 HB2 ALA 71 HB2 ALA 71 -12.203 1.204 -2.860 555 HB3 ALA 71 HB3 ALA 71 -13.403 -0.098 -2.729 556 H MET 72 H MET 72 -9.627 0.418 -0.819 557 HA MET 72 HA MET 72 -9.402 2.239 1.302 558 HB2 MET 72 HB2 MET 72 -7.713 0.624 0.514 559 HB3 MET 72 HB3 MET 72 -7.415 1.613 -0.917 560 HG2 MET 72 HG2 MET 72 -6.483 3.392 0.455 561 HG3 MET 72 HG3 MET 72 -7.087 2.622 1.924 562 HE1 MET 72 HE1 MET 72 -4.139 2.501 -0.796 563 HE2 MET 72 HE2 MET 72 -3.487 0.894 -0.465 564 HE3 MET 72 HE3 MET 72 -5.110 1.052 -1.165 565 HA PRO 73 HA PRO 73 -10.235 6.160 -0.768 566 HB2 PRO 73 HB2 PRO 73 -9.258 7.926 1.089 567 HB3 PRO 73 HB3 PRO 73 -10.781 7.010 1.311 568 HG2 PRO 73 HG2 PRO 73 -8.016 6.315 2.363 569 HG3 PRO 73 HG3 PRO 73 -9.562 6.377 3.275 570 HD2 PRO 73 HD2 PRO 73 -8.597 4.044 2.328 571 HD3 PRO 73 HD3 PRO 73 -10.345 4.384 2.252 572 H ASN 74 H ASN 74 -9.081 7.987 -1.715 573 HA ASN 74 HA ASN 74 -6.234 7.461 -2.338 574 HB2 ASN 74 HB2 ASN 74 -7.650 8.285 -4.143 575 HB3 ASN 74 HB3 ASN 74 -8.087 9.707 -3.199 576 HD21 ASN 74 HD21 ASN 74 -7.072 10.192 -5.646 577 HD22 ASN 74 HD22 ASN 74 -5.394 10.764 -5.467 578 H MET 75 H MET 75 -4.847 7.843 -0.837 579 HA MET 75 HA MET 75 -5.271 9.685 1.393 580 HB2 MET 75 HB2 MET 75 -3.015 7.781 0.681 581 HB3 MET 75 HB3 MET 75 -3.158 8.631 2.220 582 HG2 MET 75 HG2 MET 75 -5.098 7.439 2.856 583 HG3 MET 75 HG3 MET 75 -5.373 6.797 1.245 584 HE1 MET 75 HE1 MET 75 -2.821 3.944 0.832 585 HE2 MET 75 HE2 MET 75 -4.261 4.763 0.183 586 HE3 MET 75 HE3 MET 75 -2.688 5.594 0.205 587 H ARG 76 H ARG 76 -4.192 10.341 -1.652 588 HA ARG 76 HA ARG 76 -2.801 11.810 -2.657 589 HB2 ARG 76 HB2 ARG 76 -3.493 13.474 -0.209 590 HB3 ARG 76 HB3 ARG 76 -2.849 14.108 -1.720 591 HG2 ARG 76 HG2 ARG 76 -5.532 12.680 -1.433 592 HG3 ARG 76 HG3 ARG 76 -5.287 14.427 -1.497 593 HD2 ARG 76 HD2 ARG 76 -4.294 14.210 -3.765 594 HD3 ARG 76 HD3 ARG 76 -4.606 12.465 -3.726 595 HE ARG 76 HE ARG 76 -7.034 13.785 -3.152 596 HH11 ARG 76 HH11 ARG 76 -4.810 13.425 -5.916 597 HH12 ARG 76 HH12 ARG 76 -6.077 13.649 -7.100 598 HH21 ARG 76 HH21 ARG 76 -8.649 14.064 -4.728 599 HH22 ARG 76 HH22 ARG 76 -8.241 14.019 -6.430 600 H LEU 77 H LEU 77 -1.149 10.073 -1.993 601 HA LEU 77 HA LEU 77 0.959 10.993 -0.154 602 HB2 LEU 77 HB2 LEU 77 1.082 8.626 -2.019 603 HB3 LEU 77 HB3 LEU 77 2.064 8.955 -0.591 604 HG LEU 77 HG LEU 77 -0.873 8.172 -0.628 605 HD11 LEU 77 HD11 LEU 77 1.578 6.718 0.452 606 HD12 LEU 77 HD12 LEU 77 0.800 6.374 -1.107 607 HD13 LEU 77 HD13 LEU 77 -0.099 6.116 0.383 608 HD21 LEU 77 HD21 LEU 77 0.958 8.815 1.728 609 HD22 LEU 77 HD22 LEU 77 -0.625 8.011 1.859 610 HD23 LEU 77 HD23 LEU 77 -0.533 9.667 1.260 611 H GLY 78 H GLY 78 2.915 11.875 -0.671 612 HA2 GLY 78 HA2 GLY 78 3.233 13.014 -3.379 613 HA3 GLY 78 HA3 GLY 78 4.216 13.368 -1.969 614 H ASP 79 H ASP 79 5.033 12.701 -4.759 615 HA ASP 79 HA ASP 79 5.798 10.030 -5.106 616 HB2 ASP 79 HB2 ASP 79 7.156 12.534 -6.181 617 HB3 ASP 79 HB3 ASP 79 7.382 10.904 -6.811 618 H ALA 80 H ALA 80 7.586 12.533 -3.327 619 HA ALA 80 HA ALA 80 9.987 10.857 -3.011 620 HB1 ALA 80 HB1 ALA 80 10.821 12.810 -1.766 621 HB2 ALA 80 HB2 ALA 80 10.168 13.277 -3.347 622 HB3 ALA 80 HB3 ALA 80 9.219 13.573 -1.873 623 H GLU 81 H GLU 81 7.066 11.483 -1.177 624 HA GLU 81 HA GLU 81 7.971 10.391 1.374 625 HB2 GLU 81 HB2 GLU 81 6.345 12.053 1.511 626 HB3 GLU 81 HB3 GLU 81 5.484 11.503 0.080 627 HG2 GLU 81 HG2 GLU 81 4.529 9.639 1.269 628 HG3 GLU 81 HG3 GLU 81 5.403 10.100 2.748 629 H VAL 82 H VAL 82 6.022 9.295 -1.410 630 HA VAL 82 HA VAL 82 5.489 6.591 -0.600 631 HB VAL 82 HB VAL 82 5.815 7.945 -3.315 632 HG11 VAL 82 HG11 VAL 82 4.828 5.126 -2.741 633 HG12 VAL 82 HG12 VAL 82 4.646 5.989 -4.283 634 HG13 VAL 82 HG13 VAL 82 6.256 5.576 -3.705 635 HG21 VAL 82 HG21 VAL 82 3.861 8.624 -1.920 636 HG22 VAL 82 HG22 VAL 82 3.368 7.771 -3.384 637 HG23 VAL 82 HG23 VAL 82 3.355 6.926 -1.816 638 H SER 83 H SER 83 8.348 7.946 -2.478 639 HA SER 83 HA SER 83 9.498 5.357 -2.854 640 HB2 SER 83 HB2 SER 83 11.549 6.563 -3.479 641 HB3 SER 83 HB3 SER 83 10.103 7.209 -4.283 642 HG SER 83 HG SER 83 11.772 8.650 -3.092 643 H ALA 84 H ALA 84 9.967 7.702 -0.186 644 HA ALA 84 HA ALA 84 11.980 6.151 1.191 645 HB1 ALA 84 HB1 ALA 84 11.589 8.545 1.611 646 HB2 ALA 84 HB2 ALA 84 9.954 8.193 2.211 647 HB3 ALA 84 HB3 ALA 84 11.377 7.603 3.100 648 H LEU 85 H LEU 85 8.394 6.168 1.329 649 HA LEU 85 HA LEU 85 8.143 4.250 3.427 650 HB2 LEU 85 HB2 LEU 85 6.442 5.928 2.521 651 HB3 LEU 85 HB3 LEU 85 6.195 4.831 1.165 652 HG LEU 85 HG LEU 85 5.446 3.062 2.799 653 HD11 LEU 85 HD11 LEU 85 4.798 3.875 5.085 654 HD12 LEU 85 HD12 LEU 85 5.706 5.369 4.787 655 HD13 LEU 85 HD13 LEU 85 6.547 3.807 4.860 656 HD21 LEU 85 HD21 LEU 85 3.982 5.735 2.915 657 HD22 LEU 85 HD22 LEU 85 3.277 4.148 3.290 658 HD23 LEU 85 HD23 LEU 85 3.823 4.504 1.641 659 H ILE 86 H ILE 86 8.578 3.860 -0.036 660 HA ILE 86 HA ILE 86 8.081 1.012 -0.266 661 HB ILE 86 HB ILE 86 9.172 3.175 -1.958 662 HG12 ILE 86 HG12 ILE 86 7.848 2.024 -3.650 663 HG13 ILE 86 HG13 ILE 86 7.595 0.643 -2.580 664 HG21 ILE 86 HG21 ILE 86 10.093 0.314 -2.470 665 HG22 ILE 86 HG22 ILE 86 10.162 1.648 -3.632 666 HG23 ILE 86 HG23 ILE 86 11.135 1.729 -2.169 667 HD11 ILE 86 HD11 ILE 86 6.254 2.131 -1.049 668 HD12 ILE 86 HD12 ILE 86 6.498 3.455 -2.215 669 HD13 ILE 86 HD13 ILE 86 5.590 2.024 -2.681 670 H SER 87 H SER 87 11.034 2.940 0.433 671 HA SER 87 HA SER 87 12.750 0.660 0.864 672 HB2 SER 87 HB2 SER 87 12.934 3.553 1.778 673 HB3 SER 87 HB3 SER 87 14.171 2.332 2.101 674 HG SER 87 HG SER 87 14.753 3.369 0.275 675 H TYR 88 H TYR 88 10.527 2.452 3.103 676 HA TYR 88 HA TYR 88 11.369 0.914 5.426 677 HB2 TYR 88 HB2 TYR 88 10.142 2.807 5.882 678 HB3 TYR 88 HB3 TYR 88 8.867 2.446 4.724 679 HD1 TYR 88 HD1 TYR 88 10.367 1.375 7.976 680 HD2 TYR 88 HD2 TYR 88 6.932 1.208 5.373 681 HE1 TYR 88 HE1 TYR 88 9.034 0.331 9.804 682 HE2 TYR 88 HE2 TYR 88 5.613 0.126 7.202 683 HH TYR 88 HH TYR 88 7.078 -0.714 10.334 684 H LEU 89 H LEU 89 8.931 0.200 2.885 685 HA LEU 89 HA LEU 89 8.052 -2.245 4.120 686 HB2 LEU 89 HB2 LEU 89 7.913 -1.250 1.248 687 HB3 LEU 89 HB3 LEU 89 7.148 -2.734 1.799 688 HG LEU 89 HG LEU 89 6.492 0.037 2.896 689 HD11 LEU 89 HD11 LEU 89 5.813 -0.243 0.543 690 HD12 LEU 89 HD12 LEU 89 4.412 -0.180 1.621 691 HD13 LEU 89 HD13 LEU 89 4.957 -1.743 0.964 692 HD21 LEU 89 HD21 LEU 89 5.999 -1.654 4.572 693 HD22 LEU 89 HD22 LEU 89 5.182 -2.667 3.363 694 HD23 LEU 89 HD23 LEU 89 4.494 -1.098 3.844 695 H GLU 90 H GLU 90 10.960 -1.628 2.255 696 HA GLU 90 HA GLU 90 11.584 -4.480 1.905 697 HB2 GLU 90 HB2 GLU 90 13.334 -1.985 1.896 698 HB3 GLU 90 HB3 GLU 90 13.924 -3.606 1.576 699 HG2 GLU 90 HG2 GLU 90 11.831 -2.131 -0.064 700 HG3 GLU 90 HG3 GLU 90 13.519 -2.333 -0.488 701 H GLU 91 H GLU 91 12.214 -2.039 4.429 702 HA GLU 91 HA GLU 91 14.076 -3.768 5.863 703 HB2 GLU 91 HB2 GLU 91 12.844 -1.057 6.475 704 HB3 GLU 91 HB3 GLU 91 13.955 -1.900 7.572 705 HG2 GLU 91 HG2 GLU 91 15.691 -1.966 5.854 706 HG3 GLU 91 HG3 GLU 91 14.619 -1.202 4.681 707 H GLU 92 H GLU 92 10.769 -2.547 6.698 708 HA GLU 92 HA GLU 92 10.752 -3.933 9.197 709 HB2 GLU 92 HB2 GLU 92 9.327 -1.953 8.432 710 HB3 GLU 92 HB3 GLU 92 8.303 -3.123 7.609 711 HG2 GLU 92 HG2 GLU 92 7.164 -2.953 9.583 712 HG3 GLU 92 HG3 GLU 92 8.223 -4.272 10.030 713 H THR 93 H THR 93 9.582 -4.905 5.993 714 HA THR 93 HA THR 93 8.377 -7.405 6.491 715 HB THR 93 HB THR 93 10.177 -6.489 4.210 716 HG1 THR 93 HG1 THR 93 8.506 -5.439 3.716 717 HG21 THR 93 HG21 THR 93 9.012 -8.192 2.820 718 HG22 THR 93 HG22 THR 93 8.298 -8.880 4.289 719 HG23 THR 93 HG23 THR 93 10.057 -8.924 4.042 720 H ALA 94 H ALA 94 11.885 -6.603 6.252 721 HA ALA 94 HA ALA 94 12.677 -9.403 6.580 722 HB1 ALA 94 HB1 ALA 94 13.962 -7.906 5.165 723 HB2 ALA 94 HB2 ALA 94 14.287 -6.817 6.534 724 HB3 ALA 94 HB3 ALA 94 14.952 -8.466 6.521 725 H ARG 95 H ARG 95 12.670 -6.455 8.653 726 HA ARG 95 HA ARG 95 13.885 -7.585 10.955 727 HB2 ARG 95 HB2 ARG 95 11.982 -5.294 10.489 728 HB3 ARG 95 HB3 ARG 95 12.184 -5.879 12.133 729 HG2 ARG 95 HG2 ARG 95 13.707 -4.095 11.873 730 HG3 ARG 95 HG3 ARG 95 14.647 -5.586 11.964 731 HD2 ARG 95 HD2 ARG 95 14.888 -5.539 9.467 732 HD3 ARG 95 HD3 ARG 95 13.985 -4.015 9.441 733 HE ARG 95 HE ARG 95 16.742 -4.467 10.374 734 HH11 ARG 95 HH11 ARG 95 14.068 -2.118 10.084 735 HH12 ARG 95 HH12 ARG 95 15.119 -0.741 10.331 736 HH21 ARG 95 HH21 ARG 95 18.057 -2.657 10.664 737 HH22 ARG 95 HH22 ARG 95 17.374 -1.046 10.649 738 H LEU 96 H LEU 96 10.483 -7.850 9.888 739 HA LEU 96 HA LEU 96 9.491 -9.184 12.204 740 HB2 LEU 96 HB2 LEU 96 8.625 -8.722 9.389 741 HB3 LEU 96 HB3 LEU 96 8.012 -10.173 10.072 742 HG LEU 96 HG LEU 96 6.506 -8.261 10.206 743 HD11 LEU 96 HD11 LEU 96 7.363 -9.470 12.857 744 HD12 LEU 96 HD12 LEU 96 6.339 -10.242 11.628 745 HD13 LEU 96 HD13 LEU 96 5.764 -8.778 12.467 746 HD21 LEU 96 HD21 LEU 96 8.424 -7.305 12.334 747 HD22 LEU 96 HD22 LEU 96 6.854 -6.577 11.907 748 HD23 LEU 96 HD23 LEU 96 8.176 -6.581 10.719 749 H GLN 97 H GLN 97 11.574 -10.551 9.734 750 HA GLN 97 HA GLN 97 10.841 -13.312 10.485 751 HB2 GLN 97 HB2 GLN 97 12.954 -12.251 8.596 752 HB3 GLN 97 HB3 GLN 97 12.615 -13.958 8.888 753 HG2 GLN 97 HG2 GLN 97 10.275 -13.606 8.087 754 HG3 GLN 97 HG3 GLN 97 10.690 -11.934 7.670 755 HE21 GLN 97 HE21 GLN 97 11.264 -15.358 6.862 756 HE22 GLN 97 HE22 GLN 97 12.110 -15.031 5.345 757 H THR 98 H THR 98 13.102 -10.953 11.557 758 HA THR 98 HA THR 98 14.240 -12.840 13.592 759 HB THR 98 HB THR 98 15.788 -10.764 12.005 760 HG1 THR 98 HG1 THR 98 15.838 -12.780 11.106 761 HG21 THR 98 HG21 THR 98 16.631 -10.390 14.191 762 HG22 THR 98 HG22 THR 98 17.726 -11.580 13.511 763 HG23 THR 98 HG23 THR 98 16.462 -12.096 14.654 764 HA PRO 99 HA PRO 99 11.758 -9.253 15.097 765 HB2 PRO 99 HB2 PRO 99 9.858 -10.487 16.561 766 HB3 PRO 99 HB3 PRO 99 9.860 -10.545 14.774 767 HG2 PRO 99 HG2 PRO 99 10.979 -12.637 16.680 768 HG3 PRO 99 HG3 PRO 99 9.812 -12.880 15.337 769 HD2 PRO 99 HD2 PRO 99 12.497 -13.270 15.013 770 HD3 PRO 99 HD3 PRO 99 11.470 -12.594 13.713 771 H VAL 100 H VAL 100 14.085 -9.249 16.034 772 HA VAL 100 HA VAL 100 14.322 -10.251 18.794 773 HB VAL 100 HB VAL 100 15.758 -10.916 16.800 774 HG11 VAL 100 HG11 VAL 100 17.163 -8.280 17.404 775 HG12 VAL 100 HG12 VAL 100 17.687 -9.536 16.275 776 HG13 VAL 100 HG13 VAL 100 16.209 -8.620 15.942 777 HG21 VAL 100 HG21 VAL 100 17.254 -9.946 19.276 778 HG22 VAL 100 HG22 VAL 100 16.345 -11.464 19.148 779 HG23 VAL 100 HG23 VAL 100 17.769 -11.196 18.130 780 H THR 101 H THR 101 13.690 -7.258 17.454 781 HA THR 101 HA THR 101 13.808 -5.097 18.132 782 HB THR 101 HB THR 101 13.480 -6.202 20.931 783 HG1 THR 101 HG1 THR 101 11.952 -7.206 19.898 784 HG21 THR 101 HG21 THR 101 12.346 -3.710 19.564 785 HG22 THR 101 HG22 THR 101 13.681 -3.695 20.730 786 HG23 THR 101 HG23 THR 101 12.085 -4.210 21.252 787 H ASN 102 H ASN 102 16.124 -5.159 17.422 788 HA ASN 102 HA ASN 102 18.237 -4.942 19.393 789 HB2 ASN 102 HB2 ASN 102 18.074 -3.881 16.534 790 HB3 ASN 102 HB3 ASN 102 19.541 -4.004 17.502 791 HD21 ASN 102 HD21 ASN 102 20.195 -6.247 18.214 792 HD22 ASN 102 HD22 ASN 102 19.818 -7.557 17.091 793 H ARG 103 H ARG 103 16.024 -2.549 17.920 794 HA ARG 103 HA ARG 103 17.155 -0.402 19.651 795 HB2 ARG 103 HB2 ARG 103 16.755 0.061 17.236 796 HB3 ARG 103 HB3 ARG 103 15.027 -0.211 17.502 797 HG2 ARG 103 HG2 ARG 103 15.150 1.642 19.299 798 HG3 ARG 103 HG3 ARG 103 16.808 1.934 18.756 799 HD2 ARG 103 HD2 ARG 103 15.369 3.531 17.673 800 HD3 ARG 103 HD3 ARG 103 15.902 2.368 16.443 801 HE ARG 103 HE ARG 103 13.409 1.579 17.675 802 HH11 ARG 103 HH11 ARG 103 14.711 3.783 15.193 803 HH12 ARG 103 HH12 ARG 103 13.206 3.821 14.300 804 HH21 ARG 103 HH21 ARG 103 11.493 1.654 16.488 805 HH22 ARG 103 HH22 ARG 103 11.389 2.618 15.031 806 H GLY 104 H GLY 104 16.422 -0.474 21.643 807 HA2 GLY 104 HA2 GLY 104 13.729 -1.424 22.392 808 HA3 GLY 104 HA3 GLY 104 15.029 -0.909 23.462 809 H ILE 105 H ILE 105 13.344 0.144 24.645 810 HA ILE 105 HA ILE 105 12.546 2.822 23.576 811 HB ILE 105 HB ILE 105 11.283 1.265 25.837 812 HG12 ILE 105 HG12 ILE 105 10.273 1.921 23.025 813 HG13 ILE 105 HG13 ILE 105 10.783 0.327 23.578 814 HG21 ILE 105 HG21 ILE 105 11.243 3.760 26.171 815 HG22 ILE 105 HG22 ILE 105 10.486 3.939 24.575 816 HG23 ILE 105 HG23 ILE 105 9.642 3.105 25.897 817 HD11 ILE 105 HD11 ILE 105 8.406 0.366 23.579 818 HD12 ILE 105 HD12 ILE 105 8.946 0.349 25.271 819 HD13 ILE 105 HD13 ILE 105 8.347 1.856 24.529 820 HA PRO 106 HA PRO 106 16.028 4.145 25.970 821 HB2 PRO 106 HB2 PRO 106 14.552 6.773 26.190 822 HB3 PRO 106 HB3 PRO 106 16.270 6.477 25.778 823 HG2 PRO 106 HG2 PRO 106 14.488 6.967 23.810 824 HG3 PRO 106 HG3 PRO 106 15.678 5.639 23.611 825 HD2 PRO 106 HD2 PRO 106 12.769 5.453 24.430 826 HD3 PRO 106 HD3 PRO 106 13.703 4.456 23.273 827 HHA HEC 107 HHA HEC 107 -5.711 -3.499 0.420 828 HHB HEC 107 HHB HEC 107 -0.242 -0.096 0.749 829 HHC HEC 107 HHC HEC 107 -3.049 3.907 5.022 830 HHD HEC 107 HHD HEC 107 -8.252 0.111 5.118 831 HMA1 HEC 107 HMA1 HEC 107 -0.717 -3.343 -1.261 832 HMA2 HEC 107 HMA2 HEC 107 -0.401 -1.604 -1.419 833 HMA3 HEC 107 HMA3 HEC 107 0.144 -2.489 0.020 834 HAA1 HEC 107 HAA1 HEC 107 -4.466 -3.904 -1.435 835 HAA2 HEC 107 HAA2 HEC 107 -2.850 -3.698 -2.037 836 HBA1 HEC 107 HBA1 HEC 107 -2.122 -5.182 0.027 837 HBA2 HEC 107 HBA2 HEC 107 -3.839 -5.661 0.039 838 HMB1 HEC 107 HMB1 HEC 107 0.842 3.067 1.053 839 HMB2 HEC 107 HMB2 HEC 107 1.616 2.608 2.559 840 HMB3 HEC 107 HMB3 HEC 107 1.284 1.373 1.367 841 HAB HEC 107 HAB HEC 107 -1.122 4.446 4.782 842 HBB1 HEC 107 HBB1 HEC 107 -0.771 5.545 2.617 843 HBB2 HEC 107 HBB2 HEC 107 0.354 6.070 3.875 844 HBB3 HEC 107 HBB3 HEC 107 0.906 4.956 2.613 845 HMC1 HEC 107 HMC1 HEC 107 -4.323 4.450 6.884 846 HMC2 HEC 107 HMC2 HEC 107 -5.439 5.183 5.719 847 HMC3 HEC 107 HMC3 HEC 107 -6.045 4.523 7.240 848 HAC HEC 107 HAC HEC 107 -8.356 1.420 6.702 849 HBC1 HEC 107 HBC1 HEC 107 -9.038 3.349 5.402 850 HBC2 HEC 107 HBC2 HEC 107 -9.590 3.431 7.080 851 HBC3 HEC 107 HBC3 HEC 107 -8.224 4.432 6.550 852 HMD1 HEC 107 HMD1 HEC 107 -9.479 -1.686 4.946 853 HMD2 HEC 107 HMD2 HEC 107 -10.173 -1.916 3.336 854 HMD3 HEC 107 HMD3 HEC 107 -9.481 -3.287 4.215 855 HAD1 HEC 107 HAD1 HEC 107 -7.626 -4.434 1.037 856 HAD2 HEC 107 HAD2 HEC 107 -8.915 -4.285 2.204 857 HBD1 HEC 107 HBD1 HEC 107 -9.866 -3.897 0.021 858 HBD2 HEC 107 HBD2 HEC 107 -9.864 -2.361 0.885 Start of MODEL 11 1 H SER 1 H SER 1 13.593 7.431 6.554 2 HA SER 1 HA SER 1 12.810 5.988 4.981 3 HB2 SER 1 HB2 SER 1 13.980 4.056 6.982 4 HB3 SER 1 HB3 SER 1 13.550 3.642 5.316 5 HG SER 1 HG SER 1 15.667 4.223 5.209 6 H GLY 2 H GLY 2 10.646 6.895 6.079 7 HA2 GLY 2 HA2 GLY 2 8.420 6.353 5.576 8 HA3 GLY 2 HA3 GLY 2 8.739 4.699 5.686 9 H GLU 3 H GLU 3 10.041 5.389 8.568 10 HA GLU 3 HA GLU 3 7.899 4.177 9.939 11 HB2 GLU 3 HB2 GLU 3 10.371 4.261 10.611 12 HB3 GLU 3 HB3 GLU 3 10.060 5.864 11.271 13 HG2 GLU 3 HG2 GLU 3 8.010 4.189 12.344 14 HG3 GLU 3 HG3 GLU 3 9.453 3.201 12.360 15 H GLN 4 H GLN 4 8.857 7.632 10.038 16 HA GLN 4 HA GLN 4 6.850 8.490 11.859 17 HB2 GLN 4 HB2 GLN 4 8.919 9.698 11.231 18 HB3 GLN 4 HB3 GLN 4 8.253 10.022 9.624 19 HG2 GLN 4 HG2 GLN 4 6.422 11.340 10.689 20 HG3 GLN 4 HG3 GLN 4 7.117 11.025 12.275 21 HE21 GLN 4 HE21 GLN 4 6.725 13.627 10.666 22 HE22 GLN 4 HE22 GLN 4 8.336 14.353 10.764 23 H ILE 5 H ILE 5 6.698 8.009 8.331 24 HA ILE 5 HA ILE 5 4.120 9.321 7.975 25 HB ILE 5 HB ILE 5 5.488 7.210 6.211 26 HG12 ILE 5 HG12 ILE 5 5.650 10.249 5.998 27 HG13 ILE 5 HG13 ILE 5 6.944 9.197 6.583 28 HG21 ILE 5 HG21 ILE 5 3.057 7.534 5.721 29 HG22 ILE 5 HG22 ILE 5 3.317 9.285 5.600 30 HG23 ILE 5 HG23 ILE 5 4.039 8.179 4.415 31 HD11 ILE 5 HD11 ILE 5 6.950 8.030 4.361 32 HD12 ILE 5 HD12 ILE 5 5.852 9.296 3.761 33 HD13 ILE 5 HD13 ILE 5 7.465 9.730 4.334 34 H PHE 6 H PHE 6 5.154 5.895 8.404 35 HA PHE 6 HA PHE 6 2.543 4.781 8.214 36 HB2 PHE 6 HB2 PHE 6 4.539 3.419 8.036 37 HB3 PHE 6 HB3 PHE 6 5.012 3.808 9.686 38 HD1 PHE 6 HD2 PHE 6 2.435 2.038 7.627 39 HD2 PHE 6 HD1 PHE 6 4.081 2.618 11.573 40 HE1 PHE 6 HE2 PHE 6 1.112 0.114 8.466 41 HE2 PHE 6 HE1 PHE 6 2.759 0.683 12.401 42 HZ PHE 6 HZ PHE 6 1.283 -0.574 10.853 43 H ARG 7 H ARG 7 4.381 5.859 11.096 44 HA ARG 7 HA ARG 7 2.421 5.198 13.051 45 HB2 ARG 7 HB2 ARG 7 4.887 5.758 13.309 46 HB3 ARG 7 HB3 ARG 7 4.452 7.453 13.134 47 HG2 ARG 7 HG2 ARG 7 4.751 6.920 15.450 48 HG3 ARG 7 HG3 ARG 7 3.043 7.275 15.204 49 HD2 ARG 7 HD2 ARG 7 3.937 4.396 15.013 50 HD3 ARG 7 HD3 ARG 7 3.959 5.152 16.611 51 HE ARG 7 HE ARG 7 1.482 5.811 15.791 52 HH11 ARG 7 HH11 ARG 7 3.127 2.635 15.787 53 HH12 ARG 7 HH12 ARG 7 1.649 1.765 16.127 54 HH21 ARG 7 HH21 ARG 7 -0.389 4.625 16.269 55 HH22 ARG 7 HH22 ARG 7 -0.323 2.881 16.400 56 H THR 8 H THR 8 2.788 8.118 11.022 57 HA THR 8 HA THR 8 0.720 9.517 12.570 58 HB THR 8 HB THR 8 1.295 11.489 11.128 59 HG1 THR 8 HG1 THR 8 3.482 10.020 10.233 60 HG21 THR 8 HG21 THR 8 3.576 11.836 12.059 61 HG22 THR 8 HG22 THR 8 3.617 10.136 12.571 62 HG23 THR 8 HG23 THR 8 2.421 11.238 13.264 63 H ARG 9 H ARG 9 0.772 8.150 9.274 64 HA ARG 9 HA ARG 9 -2.127 8.590 9.370 65 HB2 ARG 9 HB2 ARG 9 -2.460 9.693 7.337 66 HB3 ARG 9 HB3 ARG 9 -1.413 10.631 8.388 67 HG2 ARG 9 HG2 ARG 9 0.569 9.855 7.024 68 HG3 ARG 9 HG3 ARG 9 -0.591 9.068 5.920 69 HD2 ARG 9 HD2 ARG 9 -1.796 11.391 5.884 70 HD3 ARG 9 HD3 ARG 9 -0.281 12.032 6.542 71 HE ARG 9 HE ARG 9 -0.844 11.038 3.857 72 HH11 ARG 9 HH11 ARG 9 1.813 11.799 6.116 73 HH12 ARG 9 HH12 ARG 9 3.025 11.673 4.854 74 HH21 ARG 9 HH21 ARG 9 0.701 10.854 2.324 75 HH22 ARG 9 HH22 ARG 9 2.383 11.184 2.689 76 H CYS 10 H CYS 10 -0.815 6.244 9.711 77 HA CYS 10 HA CYS 10 -2.115 4.640 7.575 78 HB2 CYS 10 HB2 CYS 10 0.541 5.217 7.329 79 HB3 CYS 10 HB3 CYS 10 0.628 3.785 8.337 80 H SER 11 H SER 11 -1.190 4.931 10.923 81 HA SER 11 HA SER 11 -0.996 2.071 11.412 82 HB2 SER 11 HB2 SER 11 -0.959 4.478 13.255 83 HB3 SER 11 HB3 SER 11 -0.732 2.814 13.796 84 HG SER 11 HG SER 11 0.827 3.994 11.750 85 H SER 12 H SER 12 -2.170 0.958 13.117 86 HA SER 12 HA SER 12 -3.953 -0.198 13.754 87 HB2 SER 12 HB2 SER 12 -4.621 1.969 14.874 88 HB3 SER 12 HB3 SER 12 -5.744 2.219 13.522 89 HG SER 12 HG SER 12 -5.765 0.382 15.600 90 H CYS 13 H CYS 13 -4.802 1.815 10.929 91 HA CYS 13 HA CYS 13 -6.648 -0.060 9.723 92 HB2 CYS 13 HB2 CYS 13 -5.278 2.475 9.101 93 HB3 CYS 13 HB3 CYS 13 -5.326 1.438 7.712 94 H HIS 14 H HIS 14 -3.335 -0.409 10.240 95 HA HIS 14 HA HIS 14 -3.183 -2.690 8.410 96 HB2 HIS 14 2HB HIS 14 -1.486 -0.209 8.176 97 HB3 HIS 14 3HB HIS 14 -0.672 -1.743 7.968 98 HD1 HIS 14 1HD HIS 14 -2.043 -3.468 6.092 99 HD2 HIS 14 2HD HIS 14 -2.664 0.651 6.171 100 HE1 HIS 14 1HE HIS 14 -2.988 -2.901 3.805 101 H THR 15 H THR 15 -1.252 -3.838 8.658 102 HA THR 15 HA THR 15 0.399 -3.390 11.036 103 HB THR 15 HB THR 15 0.546 -5.867 11.574 104 HG1 THR 15 HG1 THR 15 -1.953 -5.806 10.243 105 HG21 THR 15 HG21 THR 15 -2.058 -4.503 12.328 106 HG22 THR 15 HG22 THR 15 -0.472 -4.139 13.051 107 HG23 THR 15 HG23 THR 15 -1.161 -5.751 13.221 108 H VAL 16 H VAL 16 2.471 -3.606 10.633 109 HA VAL 16 HA VAL 16 3.374 -5.442 8.451 110 HB VAL 16 HB VAL 16 4.143 -3.420 7.636 111 HG11 VAL 16 HG11 VAL 16 4.878 -2.498 10.396 112 HG12 VAL 16 HG12 VAL 16 5.308 -1.703 8.863 113 HG13 VAL 16 HG13 VAL 16 3.602 -1.872 9.302 114 HG21 VAL 16 HG21 VAL 16 6.515 -3.474 7.753 115 HG22 VAL 16 HG22 VAL 16 6.492 -4.328 9.301 116 HG23 VAL 16 HG23 VAL 16 5.921 -5.143 7.820 117 H GLY 17 H GLY 17 3.637 -7.205 9.369 118 HA2 GLY 17 HA2 GLY 17 4.751 -8.856 10.588 119 HA3 GLY 17 HA3 GLY 17 6.016 -7.664 10.904 120 H ASN 18 H ASN 18 2.624 -7.823 11.963 121 HA ASN 18 HA ASN 18 3.225 -8.215 14.785 122 HB2 ASN 18 HB2 ASN 18 3.826 -5.797 14.411 123 HB3 ASN 18 HB3 ASN 18 2.199 -5.509 13.792 124 HD21 ASN 18 HD21 ASN 18 1.518 -4.048 15.373 125 HD22 ASN 18 HD22 ASN 18 1.327 -4.522 17.050 126 H THR 19 H THR 19 1.184 -8.364 16.093 127 HA THR 19 HA THR 19 -0.997 -9.459 14.517 128 HB THR 19 HB THR 19 -2.168 -9.834 16.613 129 HG1 THR 19 HG1 THR 19 -1.069 -9.488 18.539 130 HG21 THR 19 HG21 THR 19 -0.400 -11.409 15.690 131 HG22 THR 19 HG22 THR 19 -0.712 -11.554 17.419 132 HG23 THR 19 HG23 THR 19 0.743 -10.701 16.851 133 H GLU 20 H GLU 20 -2.858 -8.669 13.940 134 HA GLU 20 HA GLU 20 -3.331 -5.845 13.920 135 HB2 GLU 20 HB2 GLU 20 -5.472 -6.514 12.799 136 HB3 GLU 20 HB3 GLU 20 -4.009 -7.064 12.022 137 HG2 GLU 20 HG2 GLU 20 -5.452 -8.925 13.937 138 HG3 GLU 20 HG3 GLU 20 -6.108 -8.626 12.337 139 HA PRO 21 HA PRO 21 -5.569 -4.849 17.435 140 HB2 PRO 21 HB2 PRO 21 -7.887 -3.925 15.726 141 HB3 PRO 21 HB3 PRO 21 -7.110 -3.078 17.108 142 HG2 PRO 21 HG2 PRO 21 -6.453 -2.370 14.596 143 HG3 PRO 21 HG3 PRO 21 -5.137 -2.636 15.786 144 HD2 PRO 21 HD2 PRO 21 -6.186 -4.539 13.675 145 HD3 PRO 21 HD3 PRO 21 -4.495 -4.109 14.062 146 H GLY 22 H GLY 22 -7.421 -5.179 18.882 147 HA2 GLY 22 HA2 GLY 22 -8.654 -7.776 18.785 148 HA3 GLY 22 HA3 GLY 22 -9.100 -6.455 19.868 149 H GLN 23 H GLN 23 -10.359 -8.442 17.642 150 HA GLN 23 HA GLN 23 -11.910 -8.492 16.001 151 HB2 GLN 23 HB2 GLN 23 -13.238 -6.359 17.682 152 HB3 GLN 23 HB3 GLN 23 -14.016 -7.237 16.368 153 HG2 GLN 23 HG2 GLN 23 -12.862 -8.527 18.884 154 HG3 GLN 23 HG3 GLN 23 -14.554 -8.143 18.630 155 HE21 GLN 23 HE21 GLN 23 -13.612 -10.791 19.231 156 HE22 GLN 23 HE22 GLN 23 -14.012 -11.764 17.816 157 HA PRO 24 HA PRO 24 -9.941 -4.925 13.843 158 HB2 PRO 24 HB2 PRO 24 -8.465 -6.208 11.990 159 HB3 PRO 24 HB3 PRO 24 -8.006 -6.154 13.717 160 HG2 PRO 24 HG2 PRO 24 -9.399 -8.403 12.239 161 HG3 PRO 24 HG3 PRO 24 -8.037 -8.498 13.397 162 HD2 PRO 24 HD2 PRO 24 -10.666 -8.920 14.087 163 HD3 PRO 24 HD3 PRO 24 -9.435 -8.322 15.225 164 H GLY 25 H GLY 25 -11.741 -3.995 13.011 165 HA2 GLY 25 HA2 GLY 25 -13.281 -5.010 10.745 166 HA3 GLY 25 HA3 GLY 25 -13.269 -3.355 11.377 167 H ILE 26 H ILE 26 -10.388 -2.997 11.183 168 HA ILE 26 HA ILE 26 -9.514 -3.610 8.476 169 HB ILE 26 HB ILE 26 -8.584 -1.383 8.138 170 HG12 ILE 26 HG12 ILE 26 -8.721 -0.258 10.246 171 HG13 ILE 26 HG13 ILE 26 -9.649 0.566 9.014 172 HG21 ILE 26 HG21 ILE 26 -10.525 -0.468 7.057 173 HG22 ILE 26 HG22 ILE 26 -10.522 -2.228 6.886 174 HG23 ILE 26 HG23 ILE 26 -11.611 -1.452 8.047 175 HD11 ILE 26 HD11 ILE 26 -10.711 -0.939 11.400 176 HD12 ILE 26 HD12 ILE 26 -10.853 0.780 11.034 177 HD13 ILE 26 HD13 ILE 26 -11.755 -0.396 10.060 178 H GLY 27 H GLY 27 -7.559 -4.351 8.600 179 HA2 GLY 27 HA2 GLY 27 -5.391 -3.094 9.998 180 HA3 GLY 27 HA3 GLY 27 -5.878 -4.539 10.864 181 HA PRO 28 HA PRO 28 -4.651 -6.990 7.123 182 HB2 PRO 28 HB2 PRO 28 -4.052 -5.816 4.628 183 HB3 PRO 28 HB3 PRO 28 -5.570 -6.613 5.139 184 HG2 PRO 28 HG2 PRO 28 -4.897 -3.677 5.133 185 HG3 PRO 28 HG3 PRO 28 -6.436 -4.483 4.697 186 HD2 PRO 28 HD2 PRO 28 -6.128 -3.286 7.085 187 HD3 PRO 28 HD3 PRO 28 -6.986 -4.847 6.949 188 H ASP 29 H ASP 29 -2.816 -7.887 6.243 189 HA ASP 29 HA ASP 29 -0.455 -6.900 7.616 190 HB2 ASP 29 HB2 ASP 29 -1.478 -9.551 6.697 191 HB3 ASP 29 HB3 ASP 29 0.260 -9.365 6.885 192 H LEU 30 H LEU 30 1.394 -6.323 6.897 193 HA LEU 30 HA LEU 30 1.792 -5.821 3.992 194 HB2 LEU 30 HB2 LEU 30 2.853 -4.629 6.558 195 HB3 LEU 30 HB3 LEU 30 3.310 -3.991 5.002 196 HG LEU 30 HG LEU 30 0.569 -4.006 6.289 197 HD11 LEU 30 HD11 LEU 30 0.873 -1.510 6.204 198 HD12 LEU 30 HD12 LEU 30 2.531 -1.766 5.627 199 HD13 LEU 30 HD13 LEU 30 2.046 -2.335 7.240 200 HD21 LEU 30 HD21 LEU 30 0.242 -4.201 3.861 201 HD22 LEU 30 HD22 LEU 30 1.510 -2.999 3.541 202 HD23 LEU 30 HD23 LEU 30 -0.026 -2.503 4.265 203 H LEU 31 H LEU 31 3.394 -7.540 6.612 204 HA LEU 31 HA LEU 31 6.092 -7.140 5.920 205 HB2 LEU 31 HB2 LEU 31 5.183 -8.106 7.973 206 HB3 LEU 31 HB3 LEU 31 4.793 -9.590 7.113 207 HG LEU 31 HG LEU 31 6.673 -9.798 8.624 208 HD11 LEU 31 HD11 LEU 31 8.223 -10.958 7.255 209 HD12 LEU 31 HD12 LEU 31 7.739 -10.087 5.797 210 HD13 LEU 31 HD13 LEU 31 6.613 -11.222 6.581 211 HD21 LEU 31 HD21 LEU 31 8.115 -7.801 6.857 212 HD22 LEU 31 HD22 LEU 31 8.797 -8.689 8.234 213 HD23 LEU 31 HD23 LEU 31 7.498 -7.509 8.498 214 H GLY 32 H GLY 32 7.310 -7.805 4.448 215 HA2 GLY 32 HA2 GLY 32 8.102 -8.631 2.405 216 HA3 GLY 32 HA3 GLY 32 7.290 -10.125 2.837 217 H VAL 33 H VAL 33 4.933 -7.593 2.414 218 HA VAL 33 HA VAL 33 3.749 -9.171 0.443 219 HB VAL 33 HB VAL 33 2.646 -7.581 2.027 220 HG11 VAL 33 HG11 VAL 33 3.039 -5.503 -0.172 221 HG12 VAL 33 HG12 VAL 33 2.148 -5.324 1.352 222 HG13 VAL 33 HG13 VAL 33 3.903 -5.506 1.384 223 HG21 VAL 33 HG21 VAL 33 1.622 -7.442 -0.827 224 HG22 VAL 33 HG22 VAL 33 1.446 -8.839 0.262 225 HG23 VAL 33 HG23 VAL 33 0.691 -7.302 0.682 226 H THR 34 H THR 34 5.964 -6.533 -0.173 227 HA THR 34 HA THR 34 5.470 -6.165 -2.984 228 HB THR 34 HB THR 34 6.814 -4.670 -1.471 229 HG1 THR 34 HG1 THR 34 8.533 -5.067 -3.539 230 HG21 THR 34 HG21 THR 34 8.309 -6.351 -0.423 231 HG22 THR 34 HG22 THR 34 9.178 -5.021 -1.203 232 HG23 THR 34 HG23 THR 34 9.102 -6.607 -1.994 233 H ARG 35 H ARG 35 6.901 -8.822 -1.298 234 HA ARG 35 HA ARG 35 8.244 -9.931 -3.655 235 HB2 ARG 35 HB2 ARG 35 9.181 -9.948 -1.296 236 HB3 ARG 35 HB3 ARG 35 7.951 -11.141 -0.885 237 HG2 ARG 35 HG2 ARG 35 10.151 -12.133 -1.306 238 HG3 ARG 35 HG3 ARG 35 8.944 -12.763 -2.418 239 HD2 ARG 35 HD2 ARG 35 9.794 -11.360 -4.228 240 HD3 ARG 35 HD3 ARG 35 10.887 -10.519 -3.122 241 HE ARG 35 HE ARG 35 11.123 -13.292 -4.162 242 HH11 ARG 35 HH11 ARG 35 12.609 -10.706 -2.190 243 HH12 ARG 35 HH12 ARG 35 14.166 -11.503 -2.152 244 HH21 ARG 35 HH21 ARG 35 13.144 -14.286 -4.053 245 HH22 ARG 35 HH22 ARG 35 14.463 -13.527 -3.188 246 H GLN 36 H GLN 36 5.122 -9.888 -2.562 247 HA GLN 36 HA GLN 36 4.412 -12.551 -3.743 248 HB2 GLN 36 HB2 GLN 36 3.172 -11.101 -1.365 249 HB3 GLN 36 HB3 GLN 36 2.594 -12.623 -2.040 250 HG2 GLN 36 HG2 GLN 36 5.332 -12.181 -0.755 251 HG3 GLN 36 HG3 GLN 36 3.964 -12.971 -0.003 252 HE21 GLN 36 HE21 GLN 36 6.428 -14.348 -0.212 253 HE22 GLN 36 HE22 GLN 36 6.264 -15.571 -1.468 254 H ARG 37 H ARG 37 3.251 -9.185 -3.410 255 HA ARG 37 HA ARG 37 0.962 -9.770 -5.188 256 HB2 ARG 37 HB2 ARG 37 0.862 -8.526 -2.960 257 HB3 ARG 37 HB3 ARG 37 1.672 -7.189 -3.763 258 HG2 ARG 37 HG2 ARG 37 -0.672 -6.712 -3.652 259 HG3 ARG 37 HG3 ARG 37 -0.289 -7.015 -5.331 260 HD2 ARG 37 HD2 ARG 37 -2.322 -8.112 -5.001 261 HD3 ARG 37 HD3 ARG 37 -1.141 -9.426 -4.943 262 HE ARG 37 HE ARG 37 -1.783 -8.230 -2.349 263 HH11 ARG 37 HH11 ARG 37 -2.742 -10.769 -4.664 264 HH12 ARG 37 HH12 ARG 37 -3.681 -11.643 -3.472 265 HH21 ARG 37 HH21 ARG 37 -3.013 -9.392 -0.845 266 HH22 ARG 37 HH22 ARG 37 -3.819 -10.872 -1.310 267 H ASP 38 H ASP 38 3.942 -9.408 -6.052 268 HA ASP 38 HA ASP 38 5.290 -8.547 -7.516 269 HB2 ASP 38 HB2 ASP 38 2.760 -7.992 -9.071 270 HB3 ASP 38 HB3 ASP 38 4.391 -7.680 -9.624 271 H ALA 39 H ALA 39 6.594 -6.900 -7.692 272 HA ALA 39 HA ALA 39 6.115 -4.763 -5.926 273 HB1 ALA 39 HB1 ALA 39 8.391 -4.078 -6.542 274 HB2 ALA 39 HB2 ALA 39 8.290 -5.832 -6.289 275 HB3 ALA 39 HB3 ALA 39 8.362 -5.173 -7.941 276 H ASN 40 H ASN 40 6.453 -4.526 -9.576 277 HA ASN 40 HA ASN 40 6.181 -1.668 -9.420 278 HB2 ASN 40 HB2 ASN 40 7.273 -2.919 -11.319 279 HB3 ASN 40 HB3 ASN 40 5.655 -3.370 -11.889 280 HD21 ASN 40 HD21 ASN 40 7.572 -0.495 -10.890 281 HD22 ASN 40 HD22 ASN 40 6.773 0.611 -12.014 282 H TRP 41 H TRP 41 3.717 -4.218 -9.977 283 HA TRP 41 HA TRP 41 1.494 -2.450 -10.286 284 HB2 TRP 41 HB2 TRP 41 1.402 -4.890 -10.733 285 HB3 TRP 41 HB3 TRP 41 1.593 -5.214 -9.014 286 HD1 TRP 41 HD1 TRP 41 -0.943 -3.967 -11.564 287 HE1 TRP 41 HE1 TRP 41 -3.269 -3.720 -10.523 288 HE3 TRP 41 HE3 TRP 41 0.297 -4.950 -6.699 289 HZ2 TRP 41 HZ2 TRP 41 -4.397 -3.781 -7.841 290 HZ3 TRP 41 HZ3 TRP 41 -1.415 -4.720 -4.901 291 HH2 TRP 41 HH2 TRP 41 -3.751 -4.128 -5.463 292 H LEU 42 H LEU 42 2.888 -3.905 -7.294 293 HA LEU 42 HA LEU 42 1.050 -2.789 -5.471 294 HB2 LEU 42 HB2 LEU 42 2.671 -4.669 -5.170 295 HB3 LEU 42 HB3 LEU 42 3.994 -3.525 -5.084 296 HG LEU 42 HG LEU 42 3.348 -4.509 -2.953 297 HD11 LEU 42 HD11 LEU 42 2.686 -1.554 -2.834 298 HD12 LEU 42 HD12 LEU 42 4.330 -2.214 -2.979 299 HD13 LEU 42 HD13 LEU 42 3.347 -2.586 -1.553 300 HD21 LEU 42 HD21 LEU 42 0.913 -4.737 -3.460 301 HD22 LEU 42 HD22 LEU 42 0.723 -2.999 -3.146 302 HD23 LEU 42 HD23 LEU 42 1.278 -4.099 -1.853 303 H VAL 43 H VAL 43 4.180 -1.476 -6.590 304 HA VAL 43 HA VAL 43 4.011 0.927 -4.990 305 HB VAL 43 HB VAL 43 5.841 0.226 -7.316 306 HG11 VAL 43 HG11 VAL 43 5.885 2.655 -6.962 307 HG12 VAL 43 HG12 VAL 43 6.063 2.431 -5.211 308 HG13 VAL 43 HG13 VAL 43 7.362 1.948 -6.327 309 HG21 VAL 43 HG21 VAL 43 7.489 -0.255 -5.519 310 HG22 VAL 43 HG22 VAL 43 6.247 0.088 -4.291 311 HG23 VAL 43 HG23 VAL 43 6.086 -1.305 -5.348 312 H ARG 44 H ARG 44 2.917 0.173 -8.283 313 HA ARG 44 HA ARG 44 2.140 2.925 -8.895 314 HB2 ARG 44 HB2 ARG 44 1.446 0.231 -10.096 315 HB3 ARG 44 HB3 ARG 44 0.646 1.721 -10.608 316 HG2 ARG 44 HG2 ARG 44 2.753 2.746 -11.250 317 HG3 ARG 44 HG3 ARG 44 3.668 1.339 -10.679 318 HD2 ARG 44 HD2 ARG 44 2.564 -0.095 -12.335 319 HD3 ARG 44 HD3 ARG 44 1.544 1.245 -12.867 320 HE ARG 44 HE ARG 44 4.481 0.946 -13.282 321 HH11 ARG 44 HH11 ARG 44 1.484 2.688 -14.150 322 HH12 ARG 44 HH12 ARG 44 2.231 3.474 -15.523 323 HH21 ARG 44 HH21 ARG 44 5.394 2.000 -15.044 324 HH22 ARG 44 HH22 ARG 44 4.430 3.071 -16.038 325 H TRP 45 H TRP 45 0.476 0.137 -7.450 326 HA TRP 45 HA TRP 45 -2.162 1.199 -7.396 327 HB2 TRP 45 HB2 TRP 45 -1.799 -1.151 -7.197 328 HB3 TRP 45 HB3 TRP 45 -0.706 -0.955 -5.840 329 HD1 TRP 45 HD1 TRP 45 -1.680 -1.677 -3.662 330 HE1 TRP 45 HE1 TRP 45 -4.071 -1.989 -2.649 331 HE3 TRP 45 HE3 TRP 45 -4.477 0.389 -7.413 332 HZ2 TRP 45 HZ2 TRP 45 -6.725 -1.289 -3.302 333 HZ3 TRP 45 HZ3 TRP 45 -6.948 0.581 -7.177 334 HH2 TRP 45 HH2 TRP 45 -8.081 -0.247 -5.135 335 H LEU 46 H LEU 46 0.210 1.032 -4.694 336 HA LEU 46 HA LEU 46 -1.595 2.187 -2.861 337 HB2 LEU 46 HB2 LEU 46 -0.074 1.698 -1.296 338 HB3 LEU 46 HB3 LEU 46 0.601 0.730 -2.602 339 HG LEU 46 HG LEU 46 1.643 3.393 -1.551 340 HD11 LEU 46 HD11 LEU 46 2.845 0.603 -1.704 341 HD12 LEU 46 HD12 LEU 46 2.145 1.339 -0.245 342 HD13 LEU 46 HD13 LEU 46 3.592 2.042 -0.974 343 HD21 LEU 46 HD21 LEU 46 3.581 2.834 -3.195 344 HD22 LEU 46 HD22 LEU 46 2.135 3.559 -3.881 345 HD23 LEU 46 HD23 LEU 46 2.380 1.815 -4.020 346 H LYS 47 H LYS 47 -0.185 3.847 -5.277 347 HA LYS 47 HA LYS 47 0.244 6.430 -3.916 348 HB2 LYS 47 HB2 LYS 47 1.789 5.374 -5.639 349 HB3 LYS 47 HB3 LYS 47 0.540 5.644 -6.853 350 HG2 LYS 47 HG2 LYS 47 0.738 8.079 -6.554 351 HG3 LYS 47 HG3 LYS 47 1.799 7.842 -5.161 352 HD2 LYS 47 HD2 LYS 47 3.224 8.415 -6.979 353 HD3 LYS 47 HD3 LYS 47 3.458 6.689 -6.693 354 HE2 LYS 47 HE2 LYS 47 1.790 6.261 -8.591 355 HE3 LYS 47 HE3 LYS 47 1.821 8.001 -8.906 356 HZ1 LYS 47 HZ1 LYS 47 3.405 6.893 -10.327 357 HZ2 LYS 47 HZ2 LYS 47 4.102 6.116 -9.068 358 HZ3 LYS 47 HZ3 LYS 47 4.288 7.742 -9.198 359 H VAL 48 H VAL 48 -2.215 4.842 -5.844 360 HA VAL 48 HA VAL 48 -3.969 7.222 -5.910 361 HB VAL 48 HB VAL 48 -4.191 7.066 -8.400 362 HG11 VAL 48 HG11 VAL 48 -2.866 8.830 -7.310 363 HG12 VAL 48 HG12 VAL 48 -1.398 7.884 -7.669 364 HG13 VAL 48 HG13 VAL 48 -2.437 8.463 -8.986 365 HG21 VAL 48 HG21 VAL 48 -1.562 5.533 -8.371 366 HG22 VAL 48 HG22 VAL 48 -3.141 4.784 -8.684 367 HG23 VAL 48 HG23 VAL 48 -2.538 6.025 -9.772 368 HA PRO 49 HA PRO 49 -5.673 2.746 -5.962 369 HB2 PRO 49 HB2 PRO 49 -7.228 2.781 -3.656 370 HB3 PRO 49 HB3 PRO 49 -5.514 2.287 -3.745 371 HG2 PRO 49 HG2 PRO 49 -6.618 5.031 -3.032 372 HG3 PRO 49 HG3 PRO 49 -5.398 4.064 -2.138 373 HD2 PRO 49 HD2 PRO 49 -4.607 6.003 -3.815 374 HD3 PRO 49 HD3 PRO 49 -3.766 4.424 -3.847 375 H ASP 50 H ASP 50 -7.628 5.681 -5.134 376 HA ASP 50 HA ASP 50 -10.133 4.549 -6.108 377 HB2 ASP 50 HB2 ASP 50 -10.185 6.318 -4.467 378 HB3 ASP 50 HB3 ASP 50 -9.216 7.377 -5.484 379 H GLN 51 H GLN 51 -7.498 6.427 -7.575 380 HA GLN 51 HA GLN 51 -8.958 6.964 -10.045 381 HB2 GLN 51 HB2 GLN 51 -7.273 8.453 -8.969 382 HB3 GLN 51 HB3 GLN 51 -6.037 7.245 -9.328 383 HG2 GLN 51 HG2 GLN 51 -6.468 7.526 -11.740 384 HG3 GLN 51 HG3 GLN 51 -7.688 8.751 -11.387 385 HE21 GLN 51 HE21 GLN 51 -5.482 9.286 -13.020 386 HE22 GLN 51 HE22 GLN 51 -4.312 10.302 -12.172 387 H MET 52 H MET 52 -6.611 4.520 -8.902 388 HA MET 52 HA MET 52 -6.241 3.264 -11.470 389 HB2 MET 52 HB2 MET 52 -4.712 2.997 -9.474 390 HB3 MET 52 HB3 MET 52 -5.976 2.048 -8.684 391 HG2 MET 52 HG2 MET 52 -4.517 0.449 -9.615 392 HG3 MET 52 HG3 MET 52 -5.907 0.483 -10.675 393 HE1 MET 52 HE1 MET 52 -2.334 2.068 -10.124 394 HE2 MET 52 HE2 MET 52 -2.187 0.320 -10.456 395 HE3 MET 52 HE3 MET 52 -1.553 1.503 -11.621 396 H LEU 53 H LEU 53 -8.580 2.634 -8.758 397 HA LEU 53 HA LEU 53 -9.989 0.535 -10.169 398 HB2 LEU 53 HB2 LEU 53 -10.840 2.492 -8.002 399 HB3 LEU 53 HB3 LEU 53 -11.915 1.257 -8.646 400 HG LEU 53 HG LEU 53 -9.266 0.657 -7.276 401 HD11 LEU 53 HD11 LEU 53 -10.927 1.625 -5.732 402 HD12 LEU 53 HD12 LEU 53 -10.653 -0.089 -5.389 403 HD13 LEU 53 HD13 LEU 53 -12.122 0.413 -6.248 404 HD21 LEU 53 HD21 LEU 53 -11.534 -1.193 -8.151 405 HD22 LEU 53 HD22 LEU 53 -10.160 -1.667 -7.133 406 HD23 LEU 53 HD23 LEU 53 -9.879 -1.169 -8.799 407 H ALA 54 H ALA 54 -10.317 4.113 -10.291 408 HA ALA 54 HA ALA 54 -12.549 4.068 -12.089 409 HB1 ALA 54 HB1 ALA 54 -10.469 6.238 -11.619 410 HB2 ALA 54 HB2 ALA 54 -12.034 6.443 -12.424 411 HB3 ALA 54 HB3 ALA 54 -11.974 6.012 -10.710 412 H GLU 55 H GLU 55 -9.131 3.527 -12.764 413 HA GLU 55 HA GLU 55 -9.616 3.754 -15.677 414 HB2 GLU 55 HB2 GLU 55 -7.394 3.730 -16.054 415 HB3 GLU 55 HB3 GLU 55 -7.464 4.595 -14.546 416 HG2 GLU 55 HG2 GLU 55 -6.528 2.726 -13.375 417 HG3 GLU 55 HG3 GLU 55 -6.813 1.616 -14.707 418 H LYS 56 H LYS 56 -10.245 1.474 -13.427 419 HA LYS 56 HA LYS 56 -10.719 -0.717 -13.369 420 HB2 LYS 56 HB2 LYS 56 -11.097 -0.537 -16.372 421 HB3 LYS 56 HB3 LYS 56 -11.804 -1.715 -15.259 422 HG2 LYS 56 HG2 LYS 56 -12.998 0.175 -14.087 423 HG3 LYS 56 HG3 LYS 56 -12.366 1.286 -15.316 424 HD2 LYS 56 HD2 LYS 56 -13.485 -0.135 -17.081 425 HD3 LYS 56 HD3 LYS 56 -14.252 -1.052 -15.765 426 HE2 LYS 56 HE2 LYS 56 -15.288 1.035 -14.910 427 HE3 LYS 56 HE3 LYS 56 -14.475 1.966 -16.178 428 HZ1 LYS 56 HZ1 LYS 56 -15.724 0.712 -17.829 429 HZ2 LYS 56 HZ2 LYS 56 -16.743 1.477 -16.780 430 HZ3 LYS 56 HZ3 LYS 56 -16.508 -0.141 -16.639 431 H ASP 57 H ASP 57 -8.579 -1.007 -12.654 432 HA ASP 57 HA ASP 57 -6.630 -2.389 -14.413 433 HB2 ASP 57 HB2 ASP 57 -5.853 -0.535 -12.916 434 HB3 ASP 57 HB3 ASP 57 -6.305 -1.535 -11.520 435 HA PRO 58 HA PRO 58 -9.351 -5.508 -13.313 436 HB2 PRO 58 HB2 PRO 58 -8.356 -7.626 -14.678 437 HB3 PRO 58 HB3 PRO 58 -8.918 -6.083 -15.430 438 HG2 PRO 58 HG2 PRO 58 -6.023 -6.643 -14.674 439 HG3 PRO 58 HG3 PRO 58 -6.676 -6.410 -16.339 440 HD2 PRO 58 HD2 PRO 58 -5.790 -4.341 -14.916 441 HD3 PRO 58 HD3 PRO 58 -7.382 -4.181 -15.729 442 H LEU 59 H LEU 59 -6.074 -5.865 -12.366 443 HA LEU 59 HA LEU 59 -6.469 -8.122 -10.540 444 HB2 LEU 59 HB2 LEU 59 -4.300 -7.328 -11.729 445 HB3 LEU 59 HB3 LEU 59 -4.206 -6.090 -10.497 446 HG LEU 59 HG LEU 59 -2.739 -7.970 -10.067 447 HD11 LEU 59 HD11 LEU 59 -3.216 -8.464 -7.782 448 HD12 LEU 59 HD12 LEU 59 -4.935 -8.105 -7.982 449 HD13 LEU 59 HD13 LEU 59 -3.731 -6.799 -8.096 450 HD21 LEU 59 HD21 LEU 59 -3.492 -10.206 -9.562 451 HD22 LEU 59 HD22 LEU 59 -4.068 -9.751 -11.171 452 HD23 LEU 59 HD23 LEU 59 -5.188 -9.755 -9.786 453 H ALA 60 H ALA 60 -6.321 -4.502 -10.113 454 HA ALA 60 HA ALA 60 -6.590 -4.553 -7.276 455 HB1 ALA 60 HB1 ALA 60 -7.645 -2.446 -9.199 456 HB2 ALA 60 HB2 ALA 60 -7.324 -2.280 -7.459 457 HB3 ALA 60 HB3 ALA 60 -5.974 -2.510 -8.592 458 H MET 61 H MET 61 -9.053 -4.682 -9.805 459 HA MET 61 HA MET 61 -11.350 -4.162 -8.280 460 HB2 MET 61 HB2 MET 61 -11.493 -6.273 -10.412 461 HB3 MET 61 HB3 MET 61 -12.637 -4.997 -10.006 462 HG2 MET 61 HG2 MET 61 -10.007 -4.700 -11.456 463 HG3 MET 61 HG3 MET 61 -11.588 -4.668 -12.195 464 HE1 MET 61 HE1 MET 61 -13.424 -2.800 -10.687 465 HE2 MET 61 HE2 MET 61 -13.033 -1.226 -11.408 466 HE3 MET 61 HE3 MET 61 -13.091 -2.685 -12.430 467 H LEU 62 H LEU 62 -9.365 -7.077 -8.295 468 HA LEU 62 HA LEU 62 -11.313 -8.806 -7.010 469 HB2 LEU 62 HB2 LEU 62 -8.325 -8.902 -7.463 470 HB3 LEU 62 HB3 LEU 62 -9.054 -9.944 -6.272 471 HG LEU 62 HG LEU 62 -10.522 -10.980 -7.940 472 HD11 LEU 62 HD11 LEU 62 -10.740 -9.186 -9.599 473 HD12 LEU 62 HD12 LEU 62 -10.085 -10.641 -10.347 474 HD13 LEU 62 HD13 LEU 62 -8.996 -9.285 -9.952 475 HD21 LEU 62 HD21 LEU 62 -8.752 -12.247 -9.079 476 HD22 LEU 62 HD22 LEU 62 -8.301 -11.922 -7.405 477 HD23 LEU 62 HD23 LEU 62 -7.572 -10.967 -8.713 478 H LEU 63 H LEU 63 -8.604 -6.684 -5.789 479 HA LEU 63 HA LEU 63 -8.797 -8.056 -3.193 480 HB2 LEU 63 HB2 LEU 63 -7.382 -5.400 -3.643 481 HB3 LEU 63 HB3 LEU 63 -7.206 -6.524 -2.323 482 HG LEU 63 HG LEU 63 -5.263 -6.855 -3.435 483 HD11 LEU 63 HD11 LEU 63 -6.363 -9.054 -3.160 484 HD12 LEU 63 HD12 LEU 63 -5.260 -9.011 -4.549 485 HD13 LEU 63 HD13 LEU 63 -7.005 -8.932 -4.816 486 HD21 LEU 63 HD21 LEU 63 -6.720 -6.740 -6.080 487 HD22 LEU 63 HD22 LEU 63 -4.963 -6.891 -5.836 488 HD23 LEU 63 HD23 LEU 63 -5.807 -5.419 -5.326 489 H PHE 64 H PHE 64 -9.849 -5.026 -4.554 490 HA PHE 64 HA PHE 64 -10.678 -3.890 -2.044 491 HB2 PHE 64 HB2 PHE 64 -10.863 -2.028 -3.177 492 HB3 PHE 64 HB3 PHE 64 -10.316 -2.888 -4.596 493 HD1 PHE 64 HD2 PHE 64 -12.049 -3.795 -6.228 494 HD2 PHE 64 HD1 PHE 64 -13.087 -1.188 -2.969 495 HE1 PHE 64 HE2 PHE 64 -14.196 -3.233 -7.361 496 HE2 PHE 64 HE1 PHE 64 -15.204 -0.590 -4.108 497 HZ PHE 64 HZ PHE 64 -15.778 -1.636 -6.300 498 H GLU 65 H GLU 65 -12.538 -5.939 -4.313 499 HA GLU 65 HA GLU 65 -14.879 -5.658 -2.535 500 HB2 GLU 65 HB2 GLU 65 -16.183 -6.806 -3.935 501 HB3 GLU 65 HB3 GLU 65 -15.173 -5.855 -5.017 502 HG2 GLU 65 HG2 GLU 65 -13.837 -7.858 -5.544 503 HG3 GLU 65 HG3 GLU 65 -14.754 -8.815 -4.377 504 H GLN 66 H GLN 66 -12.210 -7.961 -2.898 505 HA GLN 66 HA GLN 66 -13.466 -10.048 -1.361 506 HB2 GLN 66 HB2 GLN 66 -11.586 -10.454 -2.900 507 HB3 GLN 66 HB3 GLN 66 -10.535 -9.448 -1.905 508 HG2 GLN 66 HG2 GLN 66 -10.039 -11.770 -1.496 509 HG3 GLN 66 HG3 GLN 66 -10.723 -11.075 -0.040 510 HE21 GLN 66 HE21 GLN 66 -10.847 -13.591 0.277 511 HE22 GLN 66 HE22 GLN 66 -12.440 -14.254 -0.128 512 H TYR 67 H TYR 67 -11.336 -7.316 -0.428 513 HA TYR 67 HA TYR 67 -11.646 -7.967 2.430 514 HB2 TYR 67 HB2 TYR 67 -10.097 -5.810 0.984 515 HB3 TYR 67 HB3 TYR 67 -10.205 -5.947 2.735 516 HD1 TYR 67 HD1 TYR 67 -9.459 -8.111 3.878 517 HD2 TYR 67 HD2 TYR 67 -8.439 -7.143 -0.190 518 HE1 TYR 67 HE1 TYR 67 -7.623 -9.779 3.945 519 HE2 TYR 67 HE2 TYR 67 -6.607 -8.826 -0.132 520 HH TYR 67 HH TYR 67 -5.984 -10.843 2.786 521 H ASN 68 H ASN 68 -14.032 -7.854 1.748 522 HA ASN 68 HA ASN 68 -16.083 -7.018 2.135 523 HB2 ASN 68 HB2 ASN 68 -14.898 -7.186 4.356 524 HB3 ASN 68 HB3 ASN 68 -14.712 -5.437 4.323 525 HD21 ASN 68 HD21 ASN 68 -15.875 -6.346 6.431 526 HD22 ASN 68 HD22 ASN 68 -17.605 -5.998 6.423 527 H ARG 69 H ARG 69 -15.115 -5.727 -0.019 528 HA ARG 69 HA ARG 69 -15.465 -4.027 -1.441 529 HB2 ARG 69 HB2 ARG 69 -17.923 -4.519 -0.049 530 HB3 ARG 69 HB3 ARG 69 -17.897 -2.836 -0.529 531 HG2 ARG 69 HG2 ARG 69 -17.238 -5.140 -2.407 532 HG3 ARG 69 HG3 ARG 69 -18.863 -4.496 -2.216 533 HD2 ARG 69 HD2 ARG 69 -16.616 -2.594 -2.945 534 HD3 ARG 69 HD3 ARG 69 -17.281 -3.671 -4.169 535 HE ARG 69 HE ARG 69 -19.465 -2.723 -3.877 536 HH11 ARG 69 HH11 ARG 69 -16.870 -0.713 -2.450 537 HH12 ARG 69 HH12 ARG 69 -17.838 0.741 -2.548 538 HH21 ARG 69 HH21 ARG 69 -20.646 -0.825 -3.955 539 HH22 ARG 69 HH22 ARG 69 -19.960 0.676 -3.371 540 H LEU 70 H LEU 70 -13.854 -3.194 0.997 541 HA LEU 70 HA LEU 70 -14.483 -0.319 1.151 542 HB2 LEU 70 HB2 LEU 70 -13.901 -1.569 3.170 543 HB3 LEU 70 HB3 LEU 70 -12.342 -2.016 2.478 544 HG LEU 70 HG LEU 70 -11.610 0.336 2.496 545 HD11 LEU 70 HD11 LEU 70 -12.976 2.058 3.679 546 HD12 LEU 70 HD12 LEU 70 -14.345 0.926 3.712 547 HD13 LEU 70 HD13 LEU 70 -13.715 1.547 2.165 548 HD21 LEU 70 HD21 LEU 70 -12.817 -0.557 5.144 549 HD22 LEU 70 HD22 LEU 70 -11.518 0.637 4.938 550 HD23 LEU 70 HD23 LEU 70 -11.250 -1.060 4.488 551 H ALA 71 H ALA 71 -13.924 0.874 -0.634 552 HA ALA 71 HA ALA 71 -11.387 0.425 -2.028 553 HB1 ALA 71 HB1 ALA 71 -13.351 1.323 -3.225 554 HB2 ALA 71 HB2 ALA 71 -13.296 2.777 -2.200 555 HB3 ALA 71 HB3 ALA 71 -11.955 2.416 -3.296 556 H MET 72 H MET 72 -9.553 0.791 -0.963 557 HA MET 72 HA MET 72 -9.178 2.373 1.318 558 HB2 MET 72 HB2 MET 72 -7.645 0.616 0.729 559 HB3 MET 72 HB3 MET 72 -7.233 1.400 -0.805 560 HG2 MET 72 HG2 MET 72 -6.116 3.226 0.357 561 HG3 MET 72 HG3 MET 72 -6.687 2.628 1.918 562 HE1 MET 72 HE1 MET 72 -3.353 0.630 -0.625 563 HE2 MET 72 HE2 MET 72 -5.054 0.546 -1.122 564 HE3 MET 72 HE3 MET 72 -4.217 2.117 -1.075 565 HA PRO 73 HA PRO 73 -9.077 6.415 -0.656 566 HB2 PRO 73 HB2 PRO 73 -8.552 8.023 1.491 567 HB3 PRO 73 HB3 PRO 73 -10.137 7.225 1.238 568 HG2 PRO 73 HG2 PRO 73 -7.828 6.278 2.973 569 HG3 PRO 73 HG3 PRO 73 -9.561 6.415 3.417 570 HD2 PRO 73 HD2 PRO 73 -8.447 4.060 2.610 571 HD3 PRO 73 HD3 PRO 73 -10.127 4.498 2.167 572 H ASN 74 H ASN 74 -7.533 7.875 -1.425 573 HA ASN 74 HA ASN 74 -4.682 7.206 -1.101 574 HB2 ASN 74 HB2 ASN 74 -5.507 7.993 -3.262 575 HB3 ASN 74 HB3 ASN 74 -6.102 9.487 -2.548 576 HD21 ASN 74 HD21 ASN 74 -4.669 10.346 -4.394 577 HD22 ASN 74 HD22 ASN 74 -2.955 10.501 -4.023 578 H MET 75 H MET 75 -3.752 7.683 0.805 579 HA MET 75 HA MET 75 -4.510 9.969 2.455 580 HB2 MET 75 HB2 MET 75 -2.126 8.103 2.753 581 HB3 MET 75 HB3 MET 75 -2.755 9.211 3.969 582 HG2 MET 75 HG2 MET 75 -4.165 6.764 2.846 583 HG3 MET 75 HG3 MET 75 -3.423 6.910 4.432 584 HE1 MET 75 HE1 MET 75 -5.872 9.172 6.425 585 HE2 MET 75 HE2 MET 75 -4.430 8.134 6.480 586 HE3 MET 75 HE3 MET 75 -4.385 9.687 5.609 587 H ARG 76 H ARG 76 -3.960 10.965 0.028 588 HA ARG 76 HA ARG 76 -2.689 12.158 -1.383 589 HB2 ARG 76 HB2 ARG 76 -1.975 14.314 -0.488 590 HB3 ARG 76 HB3 ARG 76 -3.585 13.823 0.014 591 HG2 ARG 76 HG2 ARG 76 -2.761 13.236 2.263 592 HG3 ARG 76 HG3 ARG 76 -1.106 13.662 1.785 593 HD2 ARG 76 HD2 ARG 76 -1.894 15.996 1.310 594 HD3 ARG 76 HD3 ARG 76 -3.508 15.532 1.865 595 HE ARG 76 HE ARG 76 -2.768 15.405 4.079 596 HH11 ARG 76 HH11 ARG 76 -0.029 16.289 1.958 597 HH12 ARG 76 HH12 ARG 76 0.962 16.815 3.301 598 HH21 ARG 76 HH21 ARG 76 -1.445 16.093 5.769 599 HH22 ARG 76 HH22 ARG 76 0.175 16.675 5.452 600 H LEU 77 H LEU 77 -1.240 10.009 -1.386 601 HA LEU 77 HA LEU 77 1.409 10.331 -0.268 602 HB2 LEU 77 HB2 LEU 77 0.260 8.373 -2.296 603 HB3 LEU 77 HB3 LEU 77 1.944 8.374 -1.826 604 HG LEU 77 HG LEU 77 0.979 6.679 -0.599 605 HD11 LEU 77 HD11 LEU 77 1.368 7.251 1.699 606 HD12 LEU 77 HD12 LEU 77 1.064 8.967 1.408 607 HD13 LEU 77 HD13 LEU 77 2.508 8.197 0.717 608 HD21 LEU 77 HD21 LEU 77 -0.956 6.815 0.837 609 HD22 LEU 77 HD22 LEU 77 -1.387 7.291 -0.814 610 HD23 LEU 77 HD23 LEU 77 -1.173 8.534 0.439 611 H GLY 78 H GLY 78 2.918 11.639 -0.848 612 HA2 GLY 78 HA2 GLY 78 3.300 12.618 -3.593 613 HA3 GLY 78 HA3 GLY 78 4.244 13.030 -2.163 614 H ASP 79 H ASP 79 5.489 12.557 -4.565 615 HA ASP 79 HA ASP 79 6.231 9.907 -5.198 616 HB2 ASP 79 HB2 ASP 79 6.548 11.924 -6.621 617 HB3 ASP 79 HB3 ASP 79 7.852 12.465 -5.558 618 H ALA 80 H ALA 80 7.901 12.173 -2.956 619 HA ALA 80 HA ALA 80 9.981 10.218 -2.295 620 HB1 ALA 80 HB1 ALA 80 10.773 11.987 -0.801 621 HB2 ALA 80 HB2 ALA 80 10.415 12.653 -2.404 622 HB3 ALA 80 HB3 ALA 80 9.280 12.915 -1.062 623 H GLU 81 H GLU 81 6.776 10.882 -1.119 624 HA GLU 81 HA GLU 81 7.188 9.602 1.511 625 HB2 GLU 81 HB2 GLU 81 4.638 10.383 0.044 626 HB3 GLU 81 HB3 GLU 81 4.722 9.701 1.674 627 HG2 GLU 81 HG2 GLU 81 6.214 11.590 2.357 628 HG3 GLU 81 HG3 GLU 81 5.966 12.327 0.756 629 H VAL 82 H VAL 82 5.977 8.688 -1.724 630 HA VAL 82 HA VAL 82 5.497 5.919 -1.089 631 HB VAL 82 HB VAL 82 6.256 7.257 -3.713 632 HG11 VAL 82 HG11 VAL 82 5.332 4.401 -3.191 633 HG12 VAL 82 HG12 VAL 82 5.452 5.161 -4.793 634 HG13 VAL 82 HG13 VAL 82 6.914 4.880 -3.848 635 HG21 VAL 82 HG21 VAL 82 4.033 7.876 -2.811 636 HG22 VAL 82 HG22 VAL 82 3.864 6.846 -4.233 637 HG23 VAL 82 HG23 VAL 82 3.621 6.160 -2.610 638 H SER 83 H SER 83 8.522 7.517 -2.372 639 HA SER 83 HA SER 83 10.091 5.172 -2.280 640 HB2 SER 83 HB2 SER 83 10.803 7.316 -3.313 641 HB3 SER 83 HB3 SER 83 11.038 8.003 -1.692 642 HG SER 83 HG SER 83 12.372 5.789 -2.893 643 H ALA 84 H ALA 84 9.470 7.461 0.410 644 HA ALA 84 HA ALA 84 11.096 6.176 2.362 645 HB1 ALA 84 HB1 ALA 84 8.587 7.872 2.653 646 HB2 ALA 84 HB2 ALA 84 9.769 7.528 3.938 647 HB3 ALA 84 HB3 ALA 84 10.249 8.476 2.526 648 H LEU 85 H LEU 85 7.577 5.758 1.664 649 HA LEU 85 HA LEU 85 7.163 3.678 3.621 650 HB2 LEU 85 HB2 LEU 85 5.682 4.600 1.127 651 HB3 LEU 85 HB3 LEU 85 5.081 3.289 2.134 652 HG LEU 85 HG LEU 85 5.668 6.052 3.295 653 HD11 LEU 85 HD11 LEU 85 3.203 6.404 3.115 654 HD12 LEU 85 HD12 LEU 85 3.098 4.928 2.128 655 HD13 LEU 85 HD13 LEU 85 4.017 6.325 1.545 656 HD21 LEU 85 HD21 LEU 85 5.498 4.248 4.968 657 HD22 LEU 85 HD22 LEU 85 3.955 3.717 4.261 658 HD23 LEU 85 HD23 LEU 85 4.089 5.301 5.051 659 H ILE 86 H ILE 86 8.321 3.576 0.306 660 HA ILE 86 HA ILE 86 8.087 0.687 0.008 661 HB ILE 86 HB ILE 86 9.146 2.957 -1.600 662 HG12 ILE 86 HG12 ILE 86 7.997 1.833 -3.398 663 HG13 ILE 86 HG13 ILE 86 7.856 0.340 -2.468 664 HG21 ILE 86 HG21 ILE 86 11.196 1.652 -1.602 665 HG22 ILE 86 HG22 ILE 86 10.296 0.176 -2.026 666 HG23 ILE 86 HG23 ILE 86 10.395 1.549 -3.161 667 HD11 ILE 86 HD11 ILE 86 5.709 1.587 -2.665 668 HD12 ILE 86 HD12 ILE 86 6.193 1.354 -0.984 669 HD13 ILE 86 HD13 ILE 86 6.418 2.929 -1.767 670 H SER 87 H SER 87 10.736 2.866 1.135 671 HA SER 87 HA SER 87 12.417 0.629 1.753 672 HB2 SER 87 HB2 SER 87 13.322 2.221 3.623 673 HB3 SER 87 HB3 SER 87 13.675 2.481 1.929 674 HG SER 87 HG SER 87 11.460 3.798 3.092 675 H TYR 88 H TYR 88 9.822 2.207 3.686 676 HA TYR 88 HA TYR 88 10.260 0.623 6.006 677 HB2 TYR 88 HB2 TYR 88 8.919 2.722 5.756 678 HB3 TYR 88 HB3 TYR 88 7.620 1.784 5.050 679 HD1 TYR 88 HD2 TYR 88 9.795 2.016 8.110 680 HD2 TYR 88 HD1 TYR 88 5.959 0.912 6.491 681 HE1 TYR 88 HE2 TYR 88 8.934 1.628 10.420 682 HE2 TYR 88 HE1 TYR 88 5.096 0.550 8.791 683 HH TYR 88 HH TYR 88 5.558 0.595 10.993 684 H LEU 89 H LEU 89 8.466 -0.230 3.062 685 HA LEU 89 HA LEU 89 7.659 -2.788 4.277 686 HB2 LEU 89 HB2 LEU 89 7.178 -1.407 1.633 687 HB3 LEU 89 HB3 LEU 89 7.080 -3.164 1.698 688 HG LEU 89 HG LEU 89 5.405 -3.067 3.481 689 HD11 LEU 89 HD11 LEU 89 5.425 -0.056 3.064 690 HD12 LEU 89 HD12 LEU 89 5.863 -0.920 4.553 691 HD13 LEU 89 HD13 LEU 89 4.197 -0.963 3.973 692 HD21 LEU 89 HD21 LEU 89 4.679 -1.391 1.044 693 HD22 LEU 89 HD22 LEU 89 3.547 -2.305 2.071 694 HD23 LEU 89 HD23 LEU 89 4.745 -3.166 1.095 695 H GLU 90 H GLU 90 9.868 -1.923 1.524 696 HA GLU 90 HA GLU 90 10.611 -4.684 1.254 697 HB2 GLU 90 HB2 GLU 90 10.555 -2.910 -0.578 698 HB3 GLU 90 HB3 GLU 90 12.067 -2.276 0.089 699 HG2 GLU 90 HG2 GLU 90 13.048 -4.619 -0.219 700 HG3 GLU 90 HG3 GLU 90 11.570 -5.060 -1.067 701 H GLU 91 H GLU 91 12.534 -1.924 2.741 702 HA GLU 91 HA GLU 91 14.679 -3.966 3.142 703 HB2 GLU 91 HB2 GLU 91 16.156 -2.136 3.775 704 HB3 GLU 91 HB3 GLU 91 15.581 -2.095 2.125 705 HG2 GLU 91 HG2 GLU 91 13.999 -0.328 2.686 706 HG3 GLU 91 HG3 GLU 91 14.524 -0.346 4.375 707 H GLU 92 H GLU 92 12.276 -2.288 5.071 708 HA GLU 92 HA GLU 92 13.580 -3.149 7.557 709 HB2 GLU 92 HB2 GLU 92 10.786 -2.091 7.198 710 HB3 GLU 92 HB3 GLU 92 11.669 -2.257 8.706 711 HG2 GLU 92 HG2 GLU 92 12.364 -0.386 6.405 712 HG3 GLU 92 HG3 GLU 92 11.671 0.067 7.951 713 H THR 93 H THR 93 11.294 -4.654 5.352 714 HA THR 93 HA THR 93 10.357 -6.805 6.984 715 HB THR 93 HB THR 93 11.027 -6.530 4.050 716 HG1 THR 93 HG1 THR 93 9.176 -5.641 4.432 717 HG21 THR 93 HG21 THR 93 9.930 -8.616 3.566 718 HG22 THR 93 HG22 THR 93 9.789 -9.007 5.306 719 HG23 THR 93 HG23 THR 93 11.377 -8.928 4.504 720 H ALA 94 H ALA 94 13.540 -6.260 5.529 721 HA ALA 94 HA ALA 94 14.630 -8.842 6.312 722 HB1 ALA 94 HB1 ALA 94 15.317 -7.511 4.281 723 HB2 ALA 94 HB2 ALA 94 16.048 -6.315 5.365 724 HB3 ALA 94 HB3 ALA 94 16.664 -7.981 5.325 725 H ARG 95 H ARG 95 13.809 -6.230 8.219 726 HA ARG 95 HA ARG 95 16.051 -6.566 10.137 727 HB2 ARG 95 HB2 ARG 95 16.299 -4.639 8.428 728 HB3 ARG 95 HB3 ARG 95 14.986 -3.853 9.301 729 HG2 ARG 95 HG2 ARG 95 16.924 -4.743 11.259 730 HG3 ARG 95 HG3 ARG 95 17.836 -4.026 9.934 731 HD2 ARG 95 HD2 ARG 95 15.505 -2.669 11.353 732 HD3 ARG 95 HD3 ARG 95 17.196 -2.443 11.795 733 HE ARG 95 HE ARG 95 15.834 -1.509 9.328 734 HH11 ARG 95 HH11 ARG 95 18.844 -1.512 11.262 735 HH12 ARG 95 HH12 ARG 95 19.507 -0.147 10.392 736 HH21 ARG 95 HH21 ARG 95 16.740 0.239 8.253 737 HH22 ARG 95 HH22 ARG 95 18.324 0.837 8.690 738 H LEU 96 H LEU 96 13.190 -7.444 10.250 739 HA LEU 96 HA LEU 96 11.646 -5.583 11.664 740 HB2 LEU 96 HB2 LEU 96 11.202 -7.997 10.377 741 HB3 LEU 96 HB3 LEU 96 10.850 -8.415 12.004 742 HG LEU 96 HG LEU 96 8.889 -7.921 10.746 743 HD11 LEU 96 HD11 LEU 96 7.806 -6.360 12.215 744 HD12 LEU 96 HD12 LEU 96 9.380 -5.682 12.708 745 HD13 LEU 96 HD13 LEU 96 8.962 -7.363 13.128 746 HD21 LEU 96 HD21 LEU 96 8.445 -5.732 9.816 747 HD22 LEU 96 HD22 LEU 96 9.974 -6.390 9.175 748 HD23 LEU 96 HD23 LEU 96 10.005 -5.122 10.407 749 H GLN 97 H GLN 97 14.219 -7.201 13.135 750 HA GLN 97 HA GLN 97 13.028 -7.312 15.831 751 HB2 GLN 97 HB2 GLN 97 15.947 -7.277 14.985 752 HB3 GLN 97 HB3 GLN 97 15.329 -7.636 16.589 753 HG2 GLN 97 HG2 GLN 97 14.296 -9.704 15.822 754 HG3 GLN 97 HG3 GLN 97 14.679 -9.331 14.139 755 HE21 GLN 97 HE21 GLN 97 16.429 -10.502 13.390 756 HE22 GLN 97 HE22 GLN 97 17.816 -10.921 14.390 757 H THR 98 H THR 98 14.734 -4.927 13.830 758 HA THR 98 HA THR 98 14.587 -2.883 15.995 759 HB THR 98 HB THR 98 16.951 -2.255 15.500 760 HG1 THR 98 HG1 THR 98 17.973 -4.372 14.524 761 HG21 THR 98 HG21 THR 98 18.052 -3.986 16.724 762 HG22 THR 98 HG22 THR 98 16.806 -5.182 16.314 763 HG23 THR 98 HG23 THR 98 16.422 -3.817 17.389 764 HA PRO 99 HA PRO 99 13.920 -0.982 11.730 765 HB2 PRO 99 HB2 PRO 99 11.267 -0.974 11.265 766 HB3 PRO 99 HB3 PRO 99 12.244 -2.456 11.013 767 HG2 PRO 99 HG2 PRO 99 10.595 -1.723 13.463 768 HG3 PRO 99 HG3 PRO 99 10.551 -3.248 12.520 769 HD2 PRO 99 HD2 PRO 99 12.074 -2.954 14.789 770 HD3 PRO 99 HD3 PRO 99 12.574 -3.979 13.420 771 H VAL 100 H VAL 100 12.909 -0.444 14.904 772 HA VAL 100 HA VAL 100 11.553 2.096 14.704 773 HB VAL 100 HB VAL 100 13.020 0.708 16.976 774 HG11 VAL 100 HG11 VAL 100 11.659 2.212 18.477 775 HG12 VAL 100 HG12 VAL 100 12.854 3.092 17.534 776 HG13 VAL 100 HG13 VAL 100 11.147 3.125 17.039 777 HG21 VAL 100 HG21 VAL 100 10.044 0.887 16.387 778 HG22 VAL 100 HG22 VAL 100 11.054 -0.563 16.184 779 HG23 VAL 100 HG23 VAL 100 10.786 0.105 17.791 780 H THR 101 H THR 101 12.353 4.022 14.367 781 HA THR 101 HA THR 101 15.128 4.725 15.230 782 HB THR 101 HB THR 101 14.960 4.232 12.756 783 HG1 THR 101 HG1 THR 101 16.114 6.243 12.275 784 HG21 THR 101 HG21 THR 101 13.639 6.961 12.582 785 HG22 THR 101 HG22 THR 101 12.768 5.425 12.366 786 HG23 THR 101 HG23 THR 101 14.076 5.852 11.260 787 H ASN 102 H ASN 102 11.833 5.438 15.324 788 HA ASN 102 HA ASN 102 12.428 7.711 17.118 789 HB2 ASN 102 HB2 ASN 102 11.873 8.822 15.047 790 HB3 ASN 102 HB3 ASN 102 10.493 7.762 14.766 791 HD21 ASN 102 HD21 ASN 102 11.644 9.963 17.432 792 HD22 ASN 102 HD22 ASN 102 10.015 10.620 17.674 793 H ARG 103 H ARG 103 9.670 5.700 15.876 794 HA ARG 103 HA ARG 103 8.971 4.970 18.709 795 HB2 ARG 103 HB2 ARG 103 7.082 6.141 16.631 796 HB3 ARG 103 HB3 ARG 103 6.542 5.285 18.077 797 HG2 ARG 103 HG2 ARG 103 7.586 6.964 19.530 798 HG3 ARG 103 HG3 ARG 103 8.262 7.801 18.126 799 HD2 ARG 103 HD2 ARG 103 6.300 8.994 18.853 800 HD3 ARG 103 HD3 ARG 103 5.988 8.259 17.274 801 HE ARG 103 HE ARG 103 5.144 6.606 19.524 802 HH11 ARG 103 HH11 ARG 103 4.108 9.263 17.377 803 HH12 ARG 103 HH12 ARG 103 2.407 8.975 17.677 804 HH21 ARG 103 HH21 ARG 103 2.932 6.247 19.841 805 HH22 ARG 103 HH22 ARG 103 1.746 7.274 19.066 806 H GLY 104 H GLY 104 8.015 4.407 15.311 807 HA2 GLY 104 HA2 GLY 104 7.338 2.544 14.154 808 HA3 GLY 104 HA3 GLY 104 8.411 1.612 15.185 809 H ILE 105 H ILE 105 7.526 0.346 16.803 810 HA ILE 105 HA ILE 105 4.554 0.313 17.147 811 HB ILE 105 HB ILE 105 6.303 -2.152 17.122 812 HG12 ILE 105 HG12 ILE 105 4.402 -1.050 14.998 813 HG13 ILE 105 HG13 ILE 105 6.151 -1.231 14.844 814 HG21 ILE 105 HG21 ILE 105 3.263 -1.783 17.200 815 HG22 ILE 105 HG22 ILE 105 4.146 -3.324 17.283 816 HG23 ILE 105 HG23 ILE 105 4.262 -2.184 18.609 817 HD11 ILE 105 HD11 ILE 105 5.872 -3.720 15.124 818 HD12 ILE 105 HD12 ILE 105 4.112 -3.456 14.990 819 HD13 ILE 105 HD13 ILE 105 5.178 -3.024 13.644 820 HA PRO 106 HA PRO 106 6.940 1.712 20.672 821 HB2 PRO 106 HB2 PRO 106 4.961 3.007 22.136 822 HB3 PRO 106 HB3 PRO 106 5.823 3.678 20.717 823 HG2 PRO 106 HG2 PRO 106 3.137 2.277 20.793 824 HG3 PRO 106 HG3 PRO 106 3.572 3.803 19.956 825 HD2 PRO 106 HD2 PRO 106 3.484 1.473 18.611 826 HD3 PRO 106 HD3 PRO 106 4.805 2.640 18.290 827 HHA HEC 107 HHA HEC 107 -4.101 -3.766 0.771 828 HHB HEC 107 HHB HEC 107 0.354 0.849 1.208 829 HHC HEC 107 HHC HEC 107 -3.518 4.140 5.183 830 HHD HEC 107 HHD HEC 107 -7.963 -0.486 4.746 831 HMA1 HEC 107 HMA1 HEC 107 0.608 -1.301 -1.178 832 HMA2 HEC 107 HMA2 HEC 107 1.328 -0.992 0.421 833 HMA3 HEC 107 HMA3 HEC 107 0.979 -2.637 -0.068 834 HAA1 HEC 107 HAA1 HEC 107 -2.589 -4.111 -0.813 835 HAA2 HEC 107 HAA2 HEC 107 -0.956 -3.695 -1.246 836 HBA1 HEC 107 HBA1 HEC 107 -0.913 -5.819 -0.095 837 HBA2 HEC 107 HBA2 HEC 107 -0.150 -4.627 0.961 838 HMB1 HEC 107 HMB1 HEC 107 0.718 4.503 2.031 839 HMB2 HEC 107 HMB2 HEC 107 1.617 3.174 2.813 840 HMB3 HEC 107 HMB3 HEC 107 0.943 2.999 1.172 841 HAB HEC 107 HAB HEC 107 -1.605 4.925 5.316 842 HBB1 HEC 107 HBB1 HEC 107 0.325 6.228 5.333 843 HBB2 HEC 107 HBB2 HEC 107 1.214 5.109 4.294 844 HBB3 HEC 107 HBB3 HEC 107 -0.146 6.070 3.639 845 HMC1 HEC 107 HMC1 HEC 107 -7.073 4.394 6.509 846 HMC2 HEC 107 HMC2 HEC 107 -5.413 4.318 7.109 847 HMC3 HEC 107 HMC3 HEC 107 -5.761 5.013 5.510 848 HAC HEC 107 HAC HEC 107 -7.988 0.528 6.752 849 HBC1 HEC 107 HBC1 HEC 107 -9.389 1.750 5.124 850 HBC2 HEC 107 HBC2 HEC 107 -9.989 1.931 6.788 851 HBC3 HEC 107 HBC3 HEC 107 -9.102 3.256 6.017 852 HMD1 HEC 107 HMD1 HEC 107 -9.321 -2.490 2.438 853 HMD2 HEC 107 HMD2 HEC 107 -8.738 -3.884 3.362 854 HMD3 HEC 107 HMD3 HEC 107 -8.990 -2.356 4.177 855 HAD1 HEC 107 HAD1 HEC 107 -5.997 -5.085 1.279 856 HAD2 HEC 107 HAD2 HEC 107 -7.682 -4.770 1.592 857 HBD1 HEC 107 HBD1 HEC 107 -7.624 -4.800 -0.728 858 HBD2 HEC 107 HBD2 HEC 107 -7.575 -3.075 -0.388 Start of MODEL 12 1 H SER 1 H SER 1 12.670 8.614 7.784 2 HA SER 1 HA SER 1 9.907 8.875 7.241 3 HB2 SER 1 HB2 SER 1 12.145 8.105 5.331 4 HB3 SER 1 HB3 SER 1 10.528 8.662 4.860 5 HG SER 1 HG SER 1 12.250 10.236 4.858 6 H GLY 2 H GLY 2 8.391 7.560 6.226 7 HA2 GLY 2 HA2 GLY 2 7.427 5.558 5.418 8 HA3 GLY 2 HA3 GLY 2 8.964 4.752 5.609 9 H GLU 3 H GLU 3 9.667 4.681 8.117 10 HA GLU 3 HA GLU 3 7.903 3.023 9.611 11 HB2 GLU 3 HB2 GLU 3 10.292 3.078 9.980 12 HB3 GLU 3 HB3 GLU 3 10.259 4.792 10.361 13 HG2 GLU 3 HG2 GLU 3 10.582 3.719 12.405 14 HG3 GLU 3 HG3 GLU 3 8.917 4.255 12.446 15 H GLN 4 H GLN 4 8.693 6.487 10.258 16 HA GLN 4 HA GLN 4 6.602 6.890 12.171 17 HB2 GLN 4 HB2 GLN 4 8.690 8.249 11.864 18 HB3 GLN 4 HB3 GLN 4 8.009 8.904 10.366 19 HG2 GLN 4 HG2 GLN 4 6.074 9.813 11.767 20 HG3 GLN 4 HG3 GLN 4 6.919 9.226 13.199 21 HE21 GLN 4 HE21 GLN 4 7.255 11.282 14.125 22 HE22 GLN 4 HE22 GLN 4 8.150 12.562 13.316 23 H ILE 5 H ILE 5 6.651 7.193 8.640 24 HA ILE 5 HA ILE 5 4.194 8.705 8.411 25 HB ILE 5 HB ILE 5 5.577 6.984 6.311 26 HG12 ILE 5 HG12 ILE 5 5.829 9.966 6.917 27 HG13 ILE 5 HG13 ILE 5 7.067 8.755 7.236 28 HG21 ILE 5 HG21 ILE 5 3.472 9.195 6.106 29 HG22 ILE 5 HG22 ILE 5 4.272 8.441 4.718 30 HG23 ILE 5 HG23 ILE 5 3.215 7.482 5.742 31 HD11 ILE 5 HD11 ILE 5 6.106 9.695 4.528 32 HD12 ILE 5 HD12 ILE 5 7.710 9.875 5.246 33 HD13 ILE 5 HD13 ILE 5 7.140 8.266 4.744 34 H PHE 6 H PHE 6 4.898 5.164 8.165 35 HA PHE 6 HA PHE 6 2.174 4.449 7.779 36 HB2 PHE 6 HB2 PHE 6 4.220 2.973 7.465 37 HB3 PHE 6 HB3 PHE 6 4.250 2.758 9.207 38 HD1 PHE 6 HD2 PHE 6 2.266 1.623 10.350 39 HD2 PHE 6 HD1 PHE 6 2.642 1.823 6.063 40 HE1 PHE 6 HE2 PHE 6 0.503 -0.105 10.113 41 HE2 PHE 6 HE1 PHE 6 0.880 0.087 5.827 42 HZ PHE 6 HZ PHE 6 -0.195 -0.879 7.858 43 H ARG 7 H ARG 7 4.076 4.860 10.765 44 HA ARG 7 HA ARG 7 2.078 4.127 12.624 45 HB2 ARG 7 HB2 ARG 7 4.588 4.346 12.876 46 HB3 ARG 7 HB3 ARG 7 4.361 6.089 13.053 47 HG2 ARG 7 HG2 ARG 7 3.025 5.703 15.102 48 HG3 ARG 7 HG3 ARG 7 3.133 3.946 14.848 49 HD2 ARG 7 HD2 ARG 7 5.624 4.113 15.016 50 HD3 ARG 7 HD3 ARG 7 5.464 5.846 15.336 51 HE ARG 7 HE ARG 7 4.201 3.766 17.080 52 HH11 ARG 7 HH11 ARG 7 6.341 6.621 16.834 53 HH12 ARG 7 HH12 ARG 7 6.537 6.736 18.569 54 HH21 ARG 7 HH21 ARG 7 4.498 3.963 19.303 55 HH22 ARG 7 HH22 ARG 7 5.496 5.242 19.959 56 H THR 8 H THR 8 2.311 7.088 10.813 57 HA THR 8 HA THR 8 0.373 8.469 12.639 58 HB THR 8 HB THR 8 1.153 10.569 11.489 59 HG1 THR 8 HG1 THR 8 3.349 8.973 10.734 60 HG21 THR 8 HG21 THR 8 3.269 10.739 12.728 61 HG22 THR 8 HG22 THR 8 3.293 8.979 12.983 62 HG23 THR 8 HG23 THR 8 2.016 9.970 13.715 63 H ARG 9 H ARG 9 0.739 7.442 9.275 64 HA ARG 9 HA ARG 9 -2.010 8.510 8.722 65 HB2 ARG 9 HB2 ARG 9 0.529 8.657 7.088 66 HB3 ARG 9 HB3 ARG 9 -1.050 8.739 6.309 67 HG2 ARG 9 HG2 ARG 9 -1.739 10.625 7.677 68 HG3 ARG 9 HG3 ARG 9 -0.216 10.595 8.580 69 HD2 ARG 9 HD2 ARG 9 -0.354 10.997 5.564 70 HD3 ARG 9 HD3 ARG 9 -0.395 12.330 6.730 71 HE ARG 9 HE ARG 9 1.823 10.754 7.400 72 HH11 ARG 9 HH11 ARG 9 0.820 12.793 4.644 73 HH12 ARG 9 HH12 ARG 9 2.462 13.268 4.274 74 HH21 ARG 9 HH21 ARG 9 3.930 11.421 6.884 75 HH22 ARG 9 HH22 ARG 9 4.210 12.499 5.536 76 H CYS 10 H CYS 10 -0.426 5.563 8.996 77 HA CYS 10 HA CYS 10 -2.368 4.313 7.069 78 HB2 CYS 10 HB2 CYS 10 0.415 3.320 7.547 79 HB3 CYS 10 HB3 CYS 10 -0.695 2.811 6.293 80 H SER 11 H SER 11 -0.908 4.058 10.247 81 HA SER 11 HA SER 11 -1.433 1.265 10.650 82 HB2 SER 11 HB2 SER 11 -0.667 1.717 12.931 83 HB3 SER 11 HB3 SER 11 0.430 2.395 11.722 84 HG SER 11 HG SER 11 -0.438 3.719 13.675 85 H SER 12 H SER 12 -3.784 3.248 10.195 86 HA SER 12 HA SER 12 -5.550 2.792 12.493 87 HB2 SER 12 HB2 SER 12 -7.030 4.266 11.041 88 HB3 SER 12 HB3 SER 12 -5.475 4.983 11.519 89 HG SER 12 HG SER 12 -5.843 5.295 9.301 90 H CYS 13 H CYS 13 -4.870 1.195 9.556 91 HA CYS 13 HA CYS 13 -7.460 -0.319 9.636 92 HB2 CYS 13 HB2 CYS 13 -5.994 0.680 7.177 93 HB3 CYS 13 HB3 CYS 13 -7.490 -0.246 7.192 94 H HIS 14 H HIS 14 -4.025 -0.544 9.419 95 HA HIS 14 HA HIS 14 -4.010 -3.433 9.248 96 HB2 HIS 14 2HB HIS 14 -2.066 -3.150 7.379 97 HB3 HIS 14 3HB HIS 14 -3.747 -3.508 7.003 98 HD1 HIS 14 1HD HIS 14 -2.496 0.077 7.745 99 HD2 HIS 14 2HD HIS 14 -3.779 -2.493 4.693 100 HE1 HIS 14 1HE HIS 14 -2.821 1.548 5.756 101 H THR 15 H THR 15 -1.697 -4.178 9.256 102 HA THR 15 HA THR 15 0.129 -2.382 10.779 103 HB THR 15 HB THR 15 0.874 -4.092 12.282 104 HG1 THR 15 HG1 THR 15 -1.292 -5.676 11.400 105 HG21 THR 15 HG21 THR 15 -2.115 -3.763 12.562 106 HG22 THR 15 HG22 THR 15 -0.880 -2.630 13.146 107 HG23 THR 15 HG23 THR 15 -0.986 -4.267 13.834 108 H VAL 16 H VAL 16 2.338 -2.933 10.678 109 HA VAL 16 HA VAL 16 3.063 -4.987 8.613 110 HB VAL 16 HB VAL 16 4.769 -2.561 9.239 111 HG11 VAL 16 HG11 VAL 16 5.854 -4.545 8.179 112 HG12 VAL 16 HG12 VAL 16 4.640 -4.504 6.879 113 HG13 VAL 16 HG13 VAL 16 5.791 -3.161 7.083 114 HG21 VAL 16 HG21 VAL 16 3.858 -1.738 6.969 115 HG22 VAL 16 HG22 VAL 16 2.498 -2.872 7.231 116 HG23 VAL 16 HG23 VAL 16 2.805 -1.573 8.373 117 H GLY 17 H GLY 17 2.917 -6.537 10.118 118 HA2 GLY 17 HA2 GLY 17 4.015 -8.138 11.362 119 HA3 GLY 17 HA3 GLY 17 5.295 -6.995 11.760 120 H ASN 18 H ASN 18 2.726 -5.234 12.789 121 HA ASN 18 HA ASN 18 3.239 -6.020 15.533 122 HB2 ASN 18 HB2 ASN 18 1.298 -3.935 14.474 123 HB3 ASN 18 HB3 ASN 18 1.757 -4.163 16.155 124 HD21 ASN 18 HD21 ASN 18 4.118 -3.937 16.688 125 HD22 ASN 18 HD22 ASN 18 5.091 -2.854 15.686 126 H THR 19 H THR 19 0.397 -6.587 13.408 127 HA THR 19 HA THR 19 -0.833 -8.212 15.590 128 HB THR 19 HB THR 19 -2.094 -7.290 13.007 129 HG1 THR 19 HG1 THR 19 -3.076 -5.798 14.205 130 HG21 THR 19 HG21 THR 19 -4.228 -7.801 14.162 131 HG22 THR 19 HG22 THR 19 -3.336 -8.480 15.533 132 HG23 THR 19 HG23 THR 19 -3.284 -9.265 13.939 133 H GLU 20 H GLU 20 -1.580 -10.437 15.028 134 HA GLU 20 HA GLU 20 0.190 -11.860 13.207 135 HB2 GLU 20 HB2 GLU 20 -2.298 -12.735 14.719 136 HB3 GLU 20 HB3 GLU 20 -1.279 -13.820 13.781 137 HG2 GLU 20 HG2 GLU 20 -0.404 -12.211 16.218 138 HG3 GLU 20 HG3 GLU 20 -0.747 -13.931 16.182 139 HA PRO 21 HA PRO 21 -1.993 -11.390 9.431 140 HB2 PRO 21 HB2 PRO 21 -1.446 -13.707 8.059 141 HB3 PRO 21 HB3 PRO 21 -0.205 -12.468 8.414 142 HG2 PRO 21 HG2 PRO 21 -0.820 -14.989 10.000 143 HG3 PRO 21 HG3 PRO 21 0.766 -14.440 9.376 144 HD2 PRO 21 HD2 PRO 21 0.061 -13.907 11.915 145 HD3 PRO 21 HD3 PRO 21 0.847 -12.634 10.932 146 H GLY 22 H GLY 22 -2.767 -14.318 11.295 147 HA2 GLY 22 HA2 GLY 22 -5.046 -15.108 9.738 148 HA3 GLY 22 HA3 GLY 22 -4.627 -15.668 11.361 149 H GLN 23 H GLN 23 -4.783 -12.413 11.773 150 HA GLN 23 HA GLN 23 -7.688 -12.432 12.509 151 HB2 GLN 23 HB2 GLN 23 -5.332 -11.660 14.271 152 HB3 GLN 23 HB3 GLN 23 -7.048 -11.505 14.687 153 HG2 GLN 23 HG2 GLN 23 -7.313 -13.984 14.431 154 HG3 GLN 23 HG3 GLN 23 -5.591 -14.125 14.083 155 HE21 GLN 23 HE21 GLN 23 -6.025 -15.711 15.940 156 HE22 GLN 23 HE22 GLN 23 -5.685 -15.081 17.546 157 HA PRO 24 HA PRO 24 -6.693 -8.411 10.443 158 HB2 PRO 24 HB2 PRO 24 -8.483 -8.430 8.415 159 HB3 PRO 24 HB3 PRO 24 -6.986 -9.408 8.352 160 HG2 PRO 24 HG2 PRO 24 -9.767 -10.326 9.155 161 HG3 PRO 24 HG3 PRO 24 -8.638 -11.094 7.994 162 HD2 PRO 24 HD2 PRO 24 -8.843 -11.883 10.619 163 HD3 PRO 24 HD3 PRO 24 -7.308 -11.962 9.703 164 H GLY 25 H GLY 25 -7.755 -6.450 10.548 165 HA2 GLY 25 HA2 GLY 25 -10.502 -6.230 11.722 166 HA3 GLY 25 HA3 GLY 25 -9.287 -4.947 11.644 167 H ILE 26 H ILE 26 -9.460 -3.511 9.941 168 HA ILE 26 HA ILE 26 -11.095 -3.985 7.575 169 HB ILE 26 HB ILE 26 -8.967 -1.950 8.280 170 HG12 ILE 26 HG12 ILE 26 -11.897 -1.555 7.559 171 HG13 ILE 26 HG13 ILE 26 -11.365 -1.848 9.212 172 HG21 ILE 26 HG21 ILE 26 -9.516 -0.791 6.121 173 HG22 ILE 26 HG22 ILE 26 -8.685 -2.309 5.869 174 HG23 ILE 26 HG23 ILE 26 -10.448 -2.212 5.622 175 HD11 ILE 26 HD11 ILE 26 -11.660 0.529 8.873 176 HD12 ILE 26 HD12 ILE 26 -9.936 0.189 9.113 177 HD13 ILE 26 HD13 ILE 26 -10.567 0.540 7.494 178 H GLY 27 H GLY 27 -7.534 -3.920 8.082 179 HA2 GLY 27 HA2 GLY 27 -7.156 -5.728 5.738 180 HA3 GLY 27 HA3 GLY 27 -6.037 -4.478 6.269 181 HA PRO 28 HA PRO 28 -4.820 -8.553 8.339 182 HB2 PRO 28 HB2 PRO 28 -3.247 -9.804 6.535 183 HB3 PRO 28 HB3 PRO 28 -5.020 -9.793 6.332 184 HG2 PRO 28 HG2 PRO 28 -3.007 -7.911 5.045 185 HG3 PRO 28 HG3 PRO 28 -4.261 -8.900 4.228 186 HD2 PRO 28 HD2 PRO 28 -4.651 -6.272 4.958 187 HD3 PRO 28 HD3 PRO 28 -5.975 -7.473 4.931 188 H ASP 29 H ASP 29 -2.211 -9.341 8.215 189 HA ASP 29 HA ASP 29 -0.475 -7.036 8.874 190 HB2 ASP 29 HB2 ASP 29 -0.240 -9.068 10.187 191 HB3 ASP 29 HB3 ASP 29 -0.051 -10.040 8.729 192 H LEU 30 H LEU 30 1.068 -6.246 7.505 193 HA LEU 30 HA LEU 30 0.981 -7.073 4.634 194 HB2 LEU 30 HB2 LEU 30 2.168 -4.555 5.805 195 HB3 LEU 30 HB3 LEU 30 1.810 -4.889 4.118 196 HG LEU 30 HG LEU 30 -0.206 -4.433 6.352 197 HD11 LEU 30 HD11 LEU 30 0.453 -2.819 3.852 198 HD12 LEU 30 HD12 LEU 30 0.957 -2.416 5.511 199 HD13 LEU 30 HD13 LEU 30 -0.761 -2.412 5.088 200 HD21 LEU 30 HD21 LEU 30 -1.941 -4.478 4.563 201 HD22 LEU 30 HD22 LEU 30 -1.168 -6.043 4.750 202 HD23 LEU 30 HD23 LEU 30 -0.713 -5.003 3.388 203 H LEU 31 H LEU 31 3.004 -7.694 7.298 204 HA LEU 31 HA LEU 31 5.567 -7.285 6.116 205 HB2 LEU 31 HB2 LEU 31 5.173 -7.497 8.409 206 HB3 LEU 31 HB3 LEU 31 4.772 -9.212 8.232 207 HG LEU 31 HG LEU 31 7.031 -9.811 7.789 208 HD11 LEU 31 HD11 LEU 31 7.854 -8.179 6.203 209 HD12 LEU 31 HD12 LEU 31 8.864 -8.042 7.626 210 HD13 LEU 31 HD13 LEU 31 7.583 -6.844 7.343 211 HD21 LEU 31 HD21 LEU 31 8.203 -8.842 9.726 212 HD22 LEU 31 HD22 LEU 31 6.492 -9.104 10.126 213 HD23 LEU 31 HD23 LEU 31 7.062 -7.467 9.717 214 H GLY 32 H GLY 32 6.626 -8.268 4.709 215 HA2 GLY 32 HA2 GLY 32 7.437 -9.929 3.181 216 HA3 GLY 32 HA3 GLY 32 6.069 -10.963 3.583 217 H VAL 33 H VAL 33 4.315 -8.304 2.980 218 HA VAL 33 HA VAL 33 3.402 -9.349 0.576 219 HB VAL 33 HB VAL 33 2.222 -7.821 2.226 220 HG11 VAL 33 HG11 VAL 33 2.078 -5.459 1.754 221 HG12 VAL 33 HG12 VAL 33 3.785 -5.840 2.028 222 HG13 VAL 33 HG13 VAL 33 3.180 -5.586 0.374 223 HG21 VAL 33 HG21 VAL 33 1.210 -8.698 0.132 224 HG22 VAL 33 HG22 VAL 33 0.574 -7.130 0.634 225 HG23 VAL 33 HG23 VAL 33 1.743 -7.212 -0.696 226 H THR 34 H THR 34 5.856 -6.867 0.917 227 HA THR 34 HA THR 34 6.035 -5.951 -1.780 228 HB THR 34 HB THR 34 7.146 -4.754 -0.065 229 HG1 THR 34 HG1 THR 34 9.329 -5.886 -1.431 230 HG21 THR 34 HG21 THR 34 9.094 -5.540 1.154 231 HG22 THR 34 HG22 THR 34 8.976 -7.143 0.413 232 HG23 THR 34 HG23 THR 34 7.718 -6.562 1.523 233 H ARG 35 H ARG 35 7.331 -8.950 -0.323 234 HA ARG 35 HA ARG 35 8.701 -9.557 -2.875 235 HB2 ARG 35 HB2 ARG 35 9.834 -11.330 -1.838 236 HB3 ARG 35 HB3 ARG 35 10.042 -9.859 -0.902 237 HG2 ARG 35 HG2 ARG 35 8.567 -10.623 0.830 238 HG3 ARG 35 HG3 ARG 35 8.015 -12.007 -0.131 239 HD2 ARG 35 HD2 ARG 35 10.881 -11.591 0.810 240 HD3 ARG 35 HD3 ARG 35 9.678 -12.570 1.669 241 HE ARG 35 HE ARG 35 9.578 -13.659 -0.807 242 HH11 ARG 35 HH11 ARG 35 12.363 -13.000 1.324 243 HH12 ARG 35 HH12 ARG 35 13.301 -14.325 0.673 244 HH21 ARG 35 HH21 ARG 35 10.828 -15.355 -1.619 245 HH22 ARG 35 HH22 ARG 35 12.433 -15.657 -0.991 246 H GLN 36 H GLN 36 5.672 -9.698 -2.103 247 HA GLN 36 HA GLN 36 5.095 -12.292 -3.484 248 HB2 GLN 36 HB2 GLN 36 3.631 -10.967 -1.162 249 HB3 GLN 36 HB3 GLN 36 3.042 -12.378 -2.049 250 HG2 GLN 36 HG2 GLN 36 5.017 -13.676 -1.381 251 HG3 GLN 36 HG3 GLN 36 5.677 -12.285 -0.514 252 HE21 GLN 36 HE21 GLN 36 3.142 -14.808 -0.406 253 HE22 GLN 36 HE22 GLN 36 2.751 -14.496 1.269 254 H ARG 37 H ARG 37 4.485 -8.858 -3.496 255 HA ARG 37 HA ARG 37 2.364 -9.160 -5.588 256 HB2 ARG 37 HB2 ARG 37 3.015 -6.828 -3.763 257 HB3 ARG 37 HB3 ARG 37 1.808 -6.789 -5.045 258 HG2 ARG 37 HG2 ARG 37 1.714 -8.626 -2.616 259 HG3 ARG 37 HG3 ARG 37 0.843 -7.104 -2.816 260 HD2 ARG 37 HD2 ARG 37 -0.327 -8.073 -4.809 261 HD3 ARG 37 HD3 ARG 37 0.465 -9.622 -4.472 262 HE ARG 37 HE ARG 37 -1.249 -8.229 -2.455 263 HH11 ARG 37 HH11 ARG 37 -0.598 -11.206 -4.319 264 HH12 ARG 37 HH12 ARG 37 -1.779 -12.134 -3.420 265 HH21 ARG 37 HH21 ARG 37 -2.748 -9.456 -1.341 266 HH22 ARG 37 HH22 ARG 37 -3.002 -11.141 -1.738 267 H ASP 38 H ASP 38 2.387 -7.782 -7.391 268 HA ASP 38 HA ASP 38 4.936 -7.611 -8.684 269 HB2 ASP 38 HB2 ASP 38 2.175 -6.612 -9.456 270 HB3 ASP 38 HB3 ASP 38 3.588 -6.521 -10.517 271 H ALA 39 H ALA 39 6.394 -6.057 -8.933 272 HA ALA 39 HA ALA 39 6.413 -4.183 -6.838 273 HB1 ALA 39 HB1 ALA 39 8.333 -5.508 -7.611 274 HB2 ALA 39 HB2 ALA 39 8.372 -4.594 -9.131 275 HB3 ALA 39 HB3 ALA 39 8.723 -3.780 -7.589 276 H ASN 40 H ASN 40 5.751 -3.488 -10.274 277 HA ASN 40 HA ASN 40 6.052 -0.580 -9.800 278 HB2 ASN 40 HB2 ASN 40 6.532 -1.773 -12.021 279 HB3 ASN 40 HB3 ASN 40 4.782 -1.920 -12.221 280 HD21 ASN 40 HD21 ASN 40 7.501 0.320 -11.923 281 HD22 ASN 40 HD22 ASN 40 6.649 1.713 -12.589 282 H TRP 41 H TRP 41 3.480 -2.967 -10.125 283 HA TRP 41 HA TRP 41 1.188 -1.295 -10.034 284 HB2 TRP 41 HB2 TRP 41 1.187 -3.600 -10.779 285 HB3 TRP 41 HB3 TRP 41 1.694 -4.172 -9.200 286 HD1 TRP 41 HD1 TRP 41 -1.368 -3.033 -11.124 287 HE1 TRP 41 HE1 TRP 41 -3.472 -3.743 -9.881 288 HE3 TRP 41 HE3 TRP 41 0.794 -4.545 -6.723 289 HZ2 TRP 41 HZ2 TRP 41 -4.161 -4.654 -7.197 290 HZ3 TRP 41 HZ3 TRP 41 -0.631 -5.277 -4.816 291 HH2 TRP 41 HH2 TRP 41 -3.089 -5.329 -5.042 292 H LEU 42 H LEU 42 2.899 -2.977 -7.337 293 HA LEU 42 HA LEU 42 1.133 -2.235 -5.303 294 HB2 LEU 42 HB2 LEU 42 3.010 -3.942 -5.269 295 HB3 LEU 42 HB3 LEU 42 4.154 -2.617 -5.090 296 HG LEU 42 HG LEU 42 3.004 -2.007 -2.911 297 HD11 LEU 42 HD11 LEU 42 0.794 -3.001 -3.238 298 HD12 LEU 42 HD12 LEU 42 1.580 -3.829 -1.885 299 HD13 LEU 42 HD13 LEU 42 1.506 -4.609 -3.467 300 HD21 LEU 42 HD21 LEU 42 3.964 -3.880 -1.639 301 HD22 LEU 42 HD22 LEU 42 5.045 -3.382 -2.953 302 HD23 LEU 42 HD23 LEU 42 4.069 -4.850 -3.127 303 H VAL 43 H VAL 43 3.819 -0.341 -6.623 304 HA VAL 43 HA VAL 43 3.550 1.811 -4.637 305 HB VAL 43 HB VAL 43 5.162 1.794 -7.216 306 HG11 VAL 43 HG11 VAL 43 5.381 3.486 -4.682 307 HG12 VAL 43 HG12 VAL 43 6.501 3.533 -6.058 308 HG13 VAL 43 HG13 VAL 43 4.830 4.060 -6.273 309 HG21 VAL 43 HG21 VAL 43 5.955 -0.056 -5.840 310 HG22 VAL 43 HG22 VAL 43 7.099 1.273 -5.670 311 HG23 VAL 43 HG23 VAL 43 5.926 0.942 -4.381 312 H ARG 44 H ARG 44 2.527 1.292 -8.036 313 HA ARG 44 HA ARG 44 1.363 3.877 -8.468 314 HB2 ARG 44 HB2 ARG 44 1.800 2.350 -10.295 315 HB3 ARG 44 HB3 ARG 44 0.705 1.138 -9.615 316 HG2 ARG 44 HG2 ARG 44 -1.221 2.635 -9.968 317 HG3 ARG 44 HG3 ARG 44 -0.154 3.894 -10.606 318 HD2 ARG 44 HD2 ARG 44 0.292 2.667 -12.587 319 HD3 ARG 44 HD3 ARG 44 -0.170 1.130 -11.843 320 HE ARG 44 HE ARG 44 -2.310 1.436 -12.475 321 HH11 ARG 44 HH11 ARG 44 -0.831 4.685 -12.547 322 HH12 ARG 44 HH12 ARG 44 -2.278 5.430 -13.192 323 HH21 ARG 44 HH21 ARG 44 -4.144 2.442 -13.294 324 HH22 ARG 44 HH22 ARG 44 -4.150 4.163 -13.611 325 H TRP 45 H TRP 45 -0.008 0.872 -7.099 326 HA TRP 45 HA TRP 45 -2.650 1.748 -6.532 327 HB2 TRP 45 HB2 TRP 45 -2.118 -0.553 -6.364 328 HB3 TRP 45 HB3 TRP 45 -0.731 -0.258 -5.333 329 HD1 TRP 45 HD1 TRP 45 -1.018 -0.777 -2.932 330 HE1 TRP 45 HE1 TRP 45 -2.964 -1.201 -1.320 331 HE3 TRP 45 HE3 TRP 45 -4.904 0.550 -5.985 332 HZ2 TRP 45 HZ2 TRP 45 -5.851 -0.877 -1.307 333 HZ3 TRP 45 HZ3 TRP 45 -7.238 0.526 -5.139 334 HH2 TRP 45 HH2 TRP 45 -7.722 -0.194 -2.816 335 H LEU 46 H LEU 46 0.336 2.232 -4.578 336 HA LEU 46 HA LEU 46 -1.152 3.537 -2.453 337 HB2 LEU 46 HB2 LEU 46 0.887 2.227 -2.084 338 HB3 LEU 46 HB3 LEU 46 1.825 3.363 -3.052 339 HG LEU 46 HG LEU 46 1.533 5.127 -1.409 340 HD11 LEU 46 HD11 LEU 46 -0.167 3.138 0.173 341 HD12 LEU 46 HD12 LEU 46 -0.750 4.642 -0.567 342 HD13 LEU 46 HD13 LEU 46 0.396 4.732 0.749 343 HD21 LEU 46 HD21 LEU 46 2.741 4.093 0.468 344 HD22 LEU 46 HD22 LEU 46 3.330 3.483 -1.080 345 HD23 LEU 46 HD23 LEU 46 2.253 2.471 -0.099 346 H LYS 47 H LYS 47 0.439 4.701 -5.376 347 HA LYS 47 HA LYS 47 0.263 7.539 -4.660 348 HB2 LYS 47 HB2 LYS 47 0.688 6.060 -7.283 349 HB3 LYS 47 HB3 LYS 47 0.574 7.819 -7.180 350 HG2 LYS 47 HG2 LYS 47 2.516 7.966 -5.747 351 HG3 LYS 47 HG3 LYS 47 2.623 6.201 -5.609 352 HD2 LYS 47 HD2 LYS 47 3.116 5.973 -7.971 353 HD3 LYS 47 HD3 LYS 47 2.852 7.708 -8.247 354 HE2 LYS 47 HE2 LYS 47 4.778 8.284 -6.875 355 HE3 LYS 47 HE3 LYS 47 5.047 6.584 -6.453 356 HZ1 LYS 47 HZ1 LYS 47 5.143 7.643 -9.230 357 HZ2 LYS 47 HZ2 LYS 47 5.540 6.120 -8.762 358 HZ3 LYS 47 HZ3 LYS 47 6.468 7.388 -8.295 359 H VAL 48 H VAL 48 -1.787 5.387 -6.685 360 HA VAL 48 HA VAL 48 -3.969 7.436 -6.516 361 HB VAL 48 HB VAL 48 -4.348 7.157 -8.929 362 HG11 VAL 48 HG11 VAL 48 -2.651 8.677 -9.626 363 HG12 VAL 48 HG12 VAL 48 -3.011 9.033 -7.932 364 HG13 VAL 48 HG13 VAL 48 -1.535 8.146 -8.360 365 HG21 VAL 48 HG21 VAL 48 -3.127 4.988 -9.350 366 HG22 VAL 48 HG22 VAL 48 -2.633 6.305 -10.421 367 HG23 VAL 48 HG23 VAL 48 -1.598 5.839 -9.061 368 HA PRO 49 HA PRO 49 -5.384 3.019 -5.765 369 HB2 PRO 49 HB2 PRO 49 -6.806 3.393 -3.422 370 HB3 PRO 49 HB3 PRO 49 -5.057 3.063 -3.490 371 HG2 PRO 49 HG2 PRO 49 -6.443 5.748 -3.261 372 HG3 PRO 49 HG3 PRO 49 -5.056 5.132 -2.304 373 HD2 PRO 49 HD2 PRO 49 -4.693 6.797 -4.408 374 HD3 PRO 49 HD3 PRO 49 -3.561 5.449 -4.105 375 H ASP 50 H ASP 50 -7.335 6.030 -5.576 376 HA ASP 50 HA ASP 50 -9.878 4.636 -6.017 377 HB2 ASP 50 HB2 ASP 50 -9.743 6.778 -4.782 378 HB3 ASP 50 HB3 ASP 50 -9.135 7.579 -6.236 379 H GLN 51 H GLN 51 -7.484 6.342 -7.986 380 HA GLN 51 HA GLN 51 -9.003 6.183 -10.451 381 HB2 GLN 51 HB2 GLN 51 -7.267 7.923 -9.552 382 HB3 GLN 51 HB3 GLN 51 -6.071 6.823 -10.256 383 HG2 GLN 51 HG2 GLN 51 -7.144 7.118 -12.472 384 HG3 GLN 51 HG3 GLN 51 -8.397 8.125 -11.734 385 HE21 GLN 51 HE21 GLN 51 -7.655 9.857 -13.319 386 HE22 GLN 51 HE22 GLN 51 -6.307 10.814 -12.749 387 H MET 52 H MET 52 -6.832 4.008 -8.834 388 HA MET 52 HA MET 52 -6.159 2.327 -11.091 389 HB2 MET 52 HB2 MET 52 -4.990 2.345 -8.856 390 HB3 MET 52 HB3 MET 52 -6.436 1.648 -8.125 391 HG2 MET 52 HG2 MET 52 -5.021 -0.176 -8.475 392 HG3 MET 52 HG3 MET 52 -6.201 -0.274 -9.764 393 HE1 MET 52 HE1 MET 52 -2.623 1.031 -8.816 394 HE2 MET 52 HE2 MET 52 -2.699 -0.749 -8.856 395 HE3 MET 52 HE3 MET 52 -1.682 0.115 -10.024 396 H LEU 53 H LEU 53 -8.805 2.282 -8.660 397 HA LEU 53 HA LEU 53 -10.207 0.042 -9.878 398 HB2 LEU 53 HB2 LEU 53 -11.091 2.106 -7.826 399 HB3 LEU 53 HB3 LEU 53 -11.996 0.656 -8.245 400 HG LEU 53 HG LEU 53 -9.197 0.601 -7.050 401 HD11 LEU 53 HD11 LEU 53 -11.880 0.252 -5.652 402 HD12 LEU 53 HD12 LEU 53 -10.779 1.637 -5.468 403 HD13 LEU 53 HD13 LEU 53 -10.283 0.035 -4.904 404 HD21 LEU 53 HD21 LEU 53 -9.702 -1.725 -6.466 405 HD22 LEU 53 HD22 LEU 53 -9.793 -1.494 -8.217 406 HD23 LEU 53 HD23 LEU 53 -11.283 -1.600 -7.254 407 H ALA 54 H ALA 54 -10.617 3.617 -10.043 408 HA ALA 54 HA ALA 54 -12.942 3.522 -11.720 409 HB1 ALA 54 HB1 ALA 54 -10.905 5.751 -11.406 410 HB2 ALA 54 HB2 ALA 54 -12.562 5.905 -12.012 411 HB3 ALA 54 HB3 ALA 54 -12.284 5.462 -10.319 412 H GLU 55 H GLU 55 -9.600 3.034 -12.514 413 HA GLU 55 HA GLU 55 -9.948 3.225 -15.419 414 HB2 GLU 55 HB2 GLU 55 -7.764 3.617 -14.562 415 HB3 GLU 55 HB3 GLU 55 -7.794 2.158 -13.591 416 HG2 GLU 55 HG2 GLU 55 -6.310 1.692 -15.296 417 HG3 GLU 55 HG3 GLU 55 -7.743 0.806 -15.736 418 H LYS 56 H LYS 56 -8.900 0.249 -13.761 419 HA LYS 56 HA LYS 56 -11.294 -1.287 -14.297 420 HB2 LYS 56 HB2 LYS 56 -10.706 -2.505 -16.256 421 HB3 LYS 56 HB3 LYS 56 -10.417 -0.830 -16.662 422 HG2 LYS 56 HG2 LYS 56 -7.914 -1.364 -15.959 423 HG3 LYS 56 HG3 LYS 56 -8.421 -3.040 -16.170 424 HD2 LYS 56 HD2 LYS 56 -9.205 -2.444 -18.503 425 HD3 LYS 56 HD3 LYS 56 -8.530 -0.818 -18.256 426 HE2 LYS 56 HE2 LYS 56 -6.302 -1.955 -17.732 427 HE3 LYS 56 HE3 LYS 56 -7.035 -3.476 -18.250 428 HZ1 LYS 56 HZ1 LYS 56 -5.854 -2.467 -20.078 429 HZ2 LYS 56 HZ2 LYS 56 -6.677 -1.047 -19.931 430 HZ3 LYS 56 HZ3 LYS 56 -7.460 -2.399 -20.424 431 H ASP 57 H ASP 57 -8.389 -1.099 -12.699 432 HA ASP 57 HA ASP 57 -6.934 -3.241 -13.664 433 HB2 ASP 57 HB2 ASP 57 -6.141 -1.168 -12.426 434 HB3 ASP 57 HB3 ASP 57 -6.503 -2.040 -10.928 435 HA PRO 58 HA PRO 58 -9.778 -5.851 -11.900 436 HB2 PRO 58 HB2 PRO 58 -9.439 -8.117 -13.341 437 HB3 PRO 58 HB3 PRO 58 -9.872 -6.491 -14.007 438 HG2 PRO 58 HG2 PRO 58 -7.044 -7.559 -13.873 439 HG3 PRO 58 HG3 PRO 58 -7.970 -7.152 -15.369 440 HD2 PRO 58 HD2 PRO 58 -6.409 -5.362 -14.136 441 HD3 PRO 58 HD3 PRO 58 -8.036 -4.876 -14.705 442 H LEU 59 H LEU 59 -6.463 -6.747 -11.609 443 HA LEU 59 HA LEU 59 -6.590 -8.709 -9.503 444 HB2 LEU 59 HB2 LEU 59 -4.544 -8.249 -10.742 445 HB3 LEU 59 HB3 LEU 59 -4.557 -6.561 -10.230 446 HG LEU 59 HG LEU 59 -4.113 -7.227 -7.898 447 HD11 LEU 59 HD11 LEU 59 -3.990 -10.068 -8.990 448 HD12 LEU 59 HD12 LEU 59 -5.165 -9.447 -7.810 449 HD13 LEU 59 HD13 LEU 59 -3.460 -9.559 -7.374 450 HD21 LEU 59 HD21 LEU 59 -2.254 -6.794 -9.475 451 HD22 LEU 59 HD22 LEU 59 -2.187 -8.528 -9.866 452 HD23 LEU 59 HD23 LEU 59 -1.813 -7.958 -8.221 453 H ALA 60 H ALA 60 -6.651 -5.080 -9.394 454 HA ALA 60 HA ALA 60 -6.894 -5.064 -6.475 455 HB1 ALA 60 HB1 ALA 60 -7.256 -2.704 -6.719 456 HB2 ALA 60 HB2 ALA 60 -5.868 -3.190 -7.716 457 HB3 ALA 60 HB3 ALA 60 -7.444 -2.854 -8.481 458 H MET 61 H MET 61 -9.169 -4.693 -9.240 459 HA MET 61 HA MET 61 -11.540 -4.292 -7.755 460 HB2 MET 61 HB2 MET 61 -11.221 -5.786 -10.365 461 HB3 MET 61 HB3 MET 61 -12.696 -5.037 -9.767 462 HG2 MET 61 HG2 MET 61 -10.181 -3.446 -10.378 463 HG3 MET 61 HG3 MET 61 -11.428 -3.761 -11.564 464 HE1 MET 61 HE1 MET 61 -14.316 -1.602 -10.648 465 HE2 MET 61 HE2 MET 61 -13.386 -2.475 -11.904 466 HE3 MET 61 HE3 MET 61 -14.082 -3.373 -10.537 467 H LEU 62 H LEU 62 -9.749 -7.283 -8.287 468 HA LEU 62 HA LEU 62 -11.716 -9.068 -7.060 469 HB2 LEU 62 HB2 LEU 62 -10.069 -9.845 -8.713 470 HB3 LEU 62 HB3 LEU 62 -8.765 -9.216 -7.707 471 HG LEU 62 HG LEU 62 -9.218 -10.879 -5.986 472 HD11 LEU 62 HD11 LEU 62 -11.641 -11.253 -6.279 473 HD12 LEU 62 HD12 LEU 62 -10.757 -12.778 -6.438 474 HD13 LEU 62 HD13 LEU 62 -11.347 -11.946 -7.890 475 HD21 LEU 62 HD21 LEU 62 -7.652 -11.388 -7.814 476 HD22 LEU 62 HD22 LEU 62 -8.986 -12.074 -8.773 477 HD23 LEU 62 HD23 LEU 62 -8.477 -12.849 -7.254 478 H LEU 63 H LEU 63 -8.531 -7.559 -6.069 479 HA LEU 63 HA LEU 63 -8.460 -9.010 -3.631 480 HB2 LEU 63 HB2 LEU 63 -6.541 -8.168 -4.867 481 HB3 LEU 63 HB3 LEU 63 -7.015 -6.495 -4.580 482 HG LEU 63 HG LEU 63 -6.491 -8.284 -2.212 483 HD11 LEU 63 HD11 LEU 63 -4.397 -6.962 -3.981 484 HD12 LEU 63 HD12 LEU 63 -4.582 -8.698 -3.662 485 HD13 LEU 63 HD13 LEU 63 -4.081 -7.605 -2.356 486 HD21 LEU 63 HD21 LEU 63 -5.917 -5.338 -2.802 487 HD22 LEU 63 HD22 LEU 63 -5.626 -6.162 -1.253 488 HD23 LEU 63 HD23 LEU 63 -7.280 -5.932 -1.839 489 H PHE 64 H PHE 64 -9.628 -5.785 -4.444 490 HA PHE 64 HA PHE 64 -9.952 -5.037 -1.648 491 HB2 PHE 64 HB2 PHE 64 -10.137 -2.987 -2.330 492 HB3 PHE 64 HB3 PHE 64 -9.692 -3.550 -3.914 493 HD1 PHE 64 HD2 PHE 64 -11.745 -4.268 -5.488 494 HD2 PHE 64 HD1 PHE 64 -12.046 -1.702 -2.044 495 HE1 PHE 64 HE2 PHE 64 -13.842 -3.290 -6.397 496 HE2 PHE 64 HE1 PHE 64 -14.141 -0.733 -2.945 497 HZ PHE 64 HZ PHE 64 -15.046 -1.527 -5.122 498 H GLU 65 H GLU 65 -12.337 -6.187 -4.133 499 HA GLU 65 HA GLU 65 -14.551 -6.040 -2.319 500 HB2 GLU 65 HB2 GLU 65 -14.166 -7.895 -4.701 501 HB3 GLU 65 HB3 GLU 65 -15.646 -7.731 -3.748 502 HG2 GLU 65 HG2 GLU 65 -15.452 -5.186 -4.288 503 HG3 GLU 65 HG3 GLU 65 -14.371 -5.686 -5.574 504 H GLN 66 H GLN 66 -12.090 -8.617 -2.749 505 HA GLN 66 HA GLN 66 -13.471 -10.385 -0.946 506 HB2 GLN 66 HB2 GLN 66 -10.614 -10.375 -2.014 507 HB3 GLN 66 HB3 GLN 66 -11.219 -11.596 -0.879 508 HG2 GLN 66 HG2 GLN 66 -13.120 -12.044 -2.475 509 HG3 GLN 66 HG3 GLN 66 -12.298 -11.046 -3.671 510 HE21 GLN 66 HE21 GLN 66 -12.903 -13.674 -4.270 511 HE22 GLN 66 HE22 GLN 66 -11.400 -14.592 -4.339 512 H TYR 67 H TYR 67 -11.224 -7.766 -0.241 513 HA TYR 67 HA TYR 67 -11.341 -8.518 2.643 514 HB2 TYR 67 HB2 TYR 67 -9.808 -6.311 1.259 515 HB3 TYR 67 HB3 TYR 67 -9.831 -6.598 2.992 516 HD1 TYR 67 HD1 TYR 67 -9.133 -9.059 3.790 517 HD2 TYR 67 HD2 TYR 67 -8.002 -7.218 0.066 518 HE1 TYR 67 HE1 TYR 67 -7.111 -10.513 3.681 519 HE2 TYR 67 HE2 TYR 67 -5.964 -8.660 -0.027 520 HH TYR 67 HH TYR 67 -5.114 -10.998 2.508 521 H ASN 68 H ASN 68 -13.799 -8.059 1.471 522 HA ASN 68 HA ASN 68 -15.720 -6.947 1.567 523 HB2 ASN 68 HB2 ASN 68 -15.410 -7.618 3.932 524 HB3 ASN 68 HB3 ASN 68 -14.712 -6.036 4.274 525 HD21 ASN 68 HD21 ASN 68 -16.173 -4.774 5.293 526 HD22 ASN 68 HD22 ASN 68 -17.859 -4.600 4.818 527 H ARG 69 H ARG 69 -14.043 -5.597 -0.049 528 HA ARG 69 HA ARG 69 -13.837 -3.674 -1.229 529 HB2 ARG 69 HB2 ARG 69 -16.450 -2.925 0.111 530 HB3 ARG 69 HB3 ARG 69 -15.668 -1.963 -1.151 531 HG2 ARG 69 HG2 ARG 69 -15.772 -3.781 -2.719 532 HG3 ARG 69 HG3 ARG 69 -16.440 -4.886 -1.494 533 HD2 ARG 69 HD2 ARG 69 -18.446 -3.415 -1.304 534 HD3 ARG 69 HD3 ARG 69 -17.776 -2.364 -2.561 535 HE ARG 69 HE ARG 69 -18.371 -3.880 -4.185 536 HH11 ARG 69 HH11 ARG 69 -18.703 -5.513 -1.027 537 HH12 ARG 69 HH12 ARG 69 -19.510 -6.902 -1.718 538 HH21 ARG 69 HH21 ARG 69 -19.414 -5.702 -5.028 539 HH22 ARG 69 HH22 ARG 69 -19.910 -7.008 -3.977 540 H LEU 70 H LEU 70 -15.224 -1.600 1.132 541 HA LEU 70 HA LEU 70 -14.557 0.118 2.335 542 HB2 LEU 70 HB2 LEU 70 -13.729 -1.917 3.580 543 HB3 LEU 70 HB3 LEU 70 -12.114 -1.538 3.039 544 HG LEU 70 HG LEU 70 -12.727 -0.926 5.384 545 HD11 LEU 70 HD11 LEU 70 -11.878 1.506 3.794 546 HD12 LEU 70 HD12 LEU 70 -10.816 0.160 4.227 547 HD13 LEU 70 HD13 LEU 70 -11.548 1.153 5.493 548 HD21 LEU 70 HD21 LEU 70 -14.296 1.397 4.201 549 HD22 LEU 70 HD22 LEU 70 -14.030 1.011 5.921 550 HD23 LEU 70 HD23 LEU 70 -15.020 -0.056 4.922 551 H ALA 71 H ALA 71 -11.837 -0.846 0.278 552 HA ALA 71 HA ALA 71 -10.306 0.290 -0.934 553 HB1 ALA 71 HB1 ALA 71 -12.359 1.187 -1.970 554 HB2 ALA 71 HB2 ALA 71 -12.279 2.593 -0.889 555 HB3 ALA 71 HB3 ALA 71 -10.992 2.302 -2.073 556 H MET 72 H MET 72 -9.191 2.721 -1.053 557 HA MET 72 HA MET 72 -8.993 4.009 1.516 558 HB2 MET 72 HB2 MET 72 -6.628 3.910 1.850 559 HB3 MET 72 HB3 MET 72 -7.261 2.276 1.751 560 HG2 MET 72 HG2 MET 72 -6.461 2.245 -0.685 561 HG3 MET 72 HG3 MET 72 -5.621 3.759 -0.312 562 HE1 MET 72 HE1 MET 72 -3.115 3.211 -0.511 563 HE2 MET 72 HE2 MET 72 -2.483 1.567 -0.266 564 HE3 MET 72 HE3 MET 72 -3.782 1.857 -1.449 565 HA PRO 73 HA PRO 73 -8.704 7.342 -1.405 566 HB2 PRO 73 HB2 PRO 73 -8.117 9.484 0.136 567 HB3 PRO 73 HB3 PRO 73 -9.627 8.554 0.372 568 HG2 PRO 73 HG2 PRO 73 -7.021 8.274 1.908 569 HG3 PRO 73 HG3 PRO 73 -8.676 8.465 2.571 570 HD2 PRO 73 HD2 PRO 73 -7.471 6.017 2.263 571 HD3 PRO 73 HD3 PRO 73 -9.235 6.244 2.066 572 H ASN 74 H ASN 74 -7.283 8.846 -2.498 573 HA ASN 74 HA ASN 74 -4.372 8.453 -2.305 574 HB2 ASN 74 HB2 ASN 74 -5.158 9.115 -4.457 575 HB3 ASN 74 HB3 ASN 74 -6.231 10.341 -3.793 576 HD21 ASN 74 HD21 ASN 74 -2.856 9.693 -4.732 577 HD22 ASN 74 HD22 ASN 74 -2.398 11.377 -4.591 578 H MET 75 H MET 75 -2.954 9.681 -1.124 579 HA MET 75 HA MET 75 -4.145 11.583 0.873 580 HB2 MET 75 HB2 MET 75 -1.913 9.579 1.313 581 HB3 MET 75 HB3 MET 75 -2.548 10.728 2.500 582 HG2 MET 75 HG2 MET 75 -4.812 9.644 2.241 583 HG3 MET 75 HG3 MET 75 -4.059 8.438 1.200 584 HE1 MET 75 HE1 MET 75 -3.608 8.795 5.781 585 HE2 MET 75 HE2 MET 75 -3.079 10.123 4.723 586 HE3 MET 75 HE3 MET 75 -4.792 9.645 4.768 587 H ARG 76 H ARG 76 -2.839 12.154 -1.776 588 HA ARG 76 HA ARG 76 -1.224 13.439 -2.740 589 HB2 ARG 76 HB2 ARG 76 -2.091 15.211 -0.432 590 HB3 ARG 76 HB3 ARG 76 -1.175 15.769 -1.844 591 HG2 ARG 76 HG2 ARG 76 -2.985 14.954 -3.346 592 HG3 ARG 76 HG3 ARG 76 -3.948 14.505 -1.925 593 HD2 ARG 76 HD2 ARG 76 -4.000 16.838 -1.177 594 HD3 ARG 76 HD3 ARG 76 -2.945 17.319 -2.524 595 HE ARG 76 HE ARG 76 -5.124 16.031 -3.691 596 HH11 ARG 76 HH11 ARG 76 -4.668 18.961 -1.703 597 HH12 ARG 76 HH12 ARG 76 -6.033 19.783 -2.423 598 HH21 ARG 76 HH21 ARG 76 -6.878 17.142 -4.596 599 HH22 ARG 76 HH22 ARG 76 -7.281 18.757 -4.057 600 H LEU 77 H LEU 77 0.092 11.538 -1.606 601 HA LEU 77 HA LEU 77 2.308 12.478 0.078 602 HB2 LEU 77 HB2 LEU 77 1.880 9.847 -1.380 603 HB3 LEU 77 HB3 LEU 77 3.101 10.165 -0.144 604 HG LEU 77 HG LEU 77 0.082 10.107 0.271 605 HD11 LEU 77 HD11 LEU 77 0.519 8.072 1.558 606 HD12 LEU 77 HD12 LEU 77 2.254 8.176 1.178 607 HD13 LEU 77 HD13 LEU 77 1.063 7.886 -0.115 608 HD21 LEU 77 HD21 LEU 77 2.336 10.477 2.291 609 HD22 LEU 77 HD22 LEU 77 0.626 10.195 2.693 610 HD23 LEU 77 HD23 LEU 77 1.093 11.674 1.849 611 H GLY 78 H GLY 78 4.316 13.045 -0.587 612 HA2 GLY 78 HA2 GLY 78 4.715 13.804 -3.340 613 HA3 GLY 78 HA3 GLY 78 5.890 13.930 -2.051 614 H ASP 79 H ASP 79 6.661 13.289 -4.585 615 HA ASP 79 HA ASP 79 6.478 10.553 -5.321 616 HB2 ASP 79 HB2 ASP 79 6.757 12.513 -6.817 617 HB3 ASP 79 HB3 ASP 79 8.407 12.721 -6.218 618 H ALA 80 H ALA 80 8.769 12.083 -3.201 619 HA ALA 80 HA ALA 80 10.489 9.641 -3.116 620 HB1 ALA 80 HB1 ALA 80 11.021 12.455 -2.085 621 HB2 ALA 80 HB2 ALA 80 12.137 11.071 -2.012 622 HB3 ALA 80 HB3 ALA 80 11.670 11.743 -3.582 623 H GLU 81 H GLU 81 8.155 11.559 -1.259 624 HA GLU 81 HA GLU 81 8.561 10.370 1.311 625 HB2 GLU 81 HB2 GLU 81 7.535 12.461 1.177 626 HB3 GLU 81 HB3 GLU 81 6.466 11.988 -0.146 627 HG2 GLU 81 HG2 GLU 81 5.096 10.687 1.279 628 HG3 GLU 81 HG3 GLU 81 6.225 10.884 2.637 629 H VAL 82 H VAL 82 6.360 9.547 -1.439 630 HA VAL 82 HA VAL 82 5.301 7.115 -0.310 631 HB VAL 82 HB VAL 82 5.870 7.874 -3.212 632 HG11 VAL 82 HG11 VAL 82 4.262 6.053 -3.802 633 HG12 VAL 82 HG12 VAL 82 5.748 5.426 -3.101 634 HG13 VAL 82 HG13 VAL 82 4.275 5.518 -2.108 635 HG21 VAL 82 HG21 VAL 82 4.150 9.268 -2.118 636 HG22 VAL 82 HG22 VAL 82 3.427 8.218 -3.333 637 HG23 VAL 82 HG23 VAL 82 3.275 7.804 -1.609 638 H SER 83 H SER 83 8.214 7.705 -2.307 639 HA SER 83 HA SER 83 9.057 5.022 -2.549 640 HB2 SER 83 HB2 SER 83 9.848 7.345 -3.611 641 HB3 SER 83 HB3 SER 83 11.047 7.305 -2.313 642 HG SER 83 HG SER 83 10.550 5.429 -4.389 643 H ALA 84 H ALA 84 9.932 7.387 0.041 644 HA ALA 84 HA ALA 84 11.663 5.631 1.483 645 HB1 ALA 84 HB1 ALA 84 11.517 8.090 1.765 646 HB2 ALA 84 HB2 ALA 84 9.907 7.914 2.490 647 HB3 ALA 84 HB3 ALA 84 11.342 7.224 3.292 648 H LEU 85 H LEU 85 8.143 5.877 1.429 649 HA LEU 85 HA LEU 85 7.713 4.133 3.735 650 HB2 LEU 85 HB2 LEU 85 6.273 6.028 3.191 651 HB3 LEU 85 HB3 LEU 85 5.872 5.332 1.635 652 HG LEU 85 HG LEU 85 4.602 3.538 2.659 653 HD11 LEU 85 HD11 LEU 85 5.268 4.800 5.348 654 HD12 LEU 85 HD12 LEU 85 5.879 3.222 4.784 655 HD13 LEU 85 HD13 LEU 85 4.152 3.461 5.059 656 HD21 LEU 85 HD21 LEU 85 2.889 5.055 3.826 657 HD22 LEU 85 HD22 LEU 85 3.429 5.612 2.223 658 HD23 LEU 85 HD23 LEU 85 4.064 6.353 3.695 659 H ILE 86 H ILE 86 7.964 3.706 0.223 660 HA ILE 86 HA ILE 86 7.253 0.888 0.179 661 HB ILE 86 HB ILE 86 9.219 2.326 -1.622 662 HG12 ILE 86 HG12 ILE 86 7.229 3.531 -1.952 663 HG13 ILE 86 HG13 ILE 86 7.305 2.394 -3.252 664 HG21 ILE 86 HG21 ILE 86 7.685 -0.285 -1.945 665 HG22 ILE 86 HG22 ILE 86 8.644 0.515 -3.208 666 HG23 ILE 86 HG23 ILE 86 9.440 -0.091 -1.759 667 HD11 ILE 86 HD11 ILE 86 5.526 2.227 -0.774 668 HD12 ILE 86 HD12 ILE 86 5.030 2.517 -2.449 669 HD13 ILE 86 HD13 ILE 86 5.653 0.922 -1.974 670 H SER 87 H SER 87 10.409 2.609 0.505 671 HA SER 87 HA SER 87 11.885 0.261 1.207 672 HB2 SER 87 HB2 SER 87 12.462 3.212 1.483 673 HB3 SER 87 HB3 SER 87 13.601 1.964 2.035 674 HG SER 87 HG SER 87 14.065 1.456 0.082 675 H TYR 88 H TYR 88 9.670 2.002 3.305 676 HA TYR 88 HA TYR 88 10.891 0.929 5.733 677 HB2 TYR 88 HB2 TYR 88 9.328 2.686 5.975 678 HB3 TYR 88 HB3 TYR 88 8.068 1.802 5.112 679 HD1 TYR 88 HD2 TYR 88 10.399 0.848 7.946 680 HD2 TYR 88 HD1 TYR 88 6.320 1.367 6.627 681 HE1 TYR 88 HE2 TYR 88 9.591 -0.215 10.028 682 HE2 TYR 88 HE1 TYR 88 5.514 0.361 8.755 683 HH TYR 88 HH TYR 88 6.111 -0.521 10.769 684 H LEU 89 H LEU 89 8.343 -0.272 3.517 685 HA LEU 89 HA LEU 89 7.984 -2.807 4.845 686 HB2 LEU 89 HB2 LEU 89 7.210 -1.623 2.159 687 HB3 LEU 89 HB3 LEU 89 7.001 -3.340 2.456 688 HG LEU 89 HG LEU 89 5.482 -2.953 4.297 689 HD11 LEU 89 HD11 LEU 89 4.575 -0.692 4.785 690 HD12 LEU 89 HD12 LEU 89 5.827 0.023 3.746 691 HD13 LEU 89 HD13 LEU 89 6.273 -0.838 5.240 692 HD21 LEU 89 HD21 LEU 89 4.771 -1.278 1.846 693 HD22 LEU 89 HD22 LEU 89 3.621 -1.998 3.002 694 HD23 LEU 89 HD23 LEU 89 4.614 -3.046 1.982 695 H GLU 90 H GLU 90 9.995 -1.849 2.025 696 HA GLU 90 HA GLU 90 10.886 -4.460 1.339 697 HB2 GLU 90 HB2 GLU 90 11.230 -1.984 0.266 698 HB3 GLU 90 HB3 GLU 90 12.822 -2.204 0.969 699 HG2 GLU 90 HG2 GLU 90 11.399 -4.005 -1.034 700 HG3 GLU 90 HG3 GLU 90 12.724 -2.904 -1.383 701 H GLU 91 H GLU 91 12.473 -2.061 3.523 702 HA GLU 91 HA GLU 91 14.591 -3.954 4.120 703 HB2 GLU 91 HB2 GLU 91 14.026 -1.288 5.404 704 HB3 GLU 91 HB3 GLU 91 15.505 -2.232 5.531 705 HG2 GLU 91 HG2 GLU 91 14.405 -0.892 3.020 706 HG3 GLU 91 HG3 GLU 91 15.777 -0.369 3.982 707 H GLU 92 H GLU 92 11.555 -3.097 5.824 708 HA GLU 92 HA GLU 92 12.193 -4.553 8.252 709 HB2 GLU 92 HB2 GLU 92 10.309 -2.957 8.113 710 HB3 GLU 92 HB3 GLU 92 9.558 -3.941 6.873 711 HG2 GLU 92 HG2 GLU 92 8.351 -4.317 8.848 712 HG3 GLU 92 HG3 GLU 92 9.246 -5.784 8.521 713 H THR 93 H THR 93 10.784 -5.517 5.117 714 HA THR 93 HA THR 93 10.423 -8.325 5.776 715 HB THR 93 HB THR 93 10.728 -6.937 3.082 716 HG1 THR 93 HG1 THR 93 8.989 -6.144 3.966 717 HG21 THR 93 HG21 THR 93 9.438 -8.884 2.220 718 HG22 THR 93 HG22 THR 93 9.667 -9.697 3.795 719 HG23 THR 93 HG23 THR 93 11.064 -9.306 2.765 720 H ALA 94 H ALA 94 13.111 -6.459 4.339 721 HA ALA 94 HA ALA 94 14.791 -8.708 3.775 722 HB1 ALA 94 HB1 ALA 94 16.554 -7.045 3.593 723 HB2 ALA 94 HB2 ALA 94 15.085 -6.410 2.833 724 HB3 ALA 94 HB3 ALA 94 15.590 -5.848 4.451 725 H ARG 95 H ARG 95 14.522 -6.614 6.680 726 HA ARG 95 HA ARG 95 16.578 -7.938 8.175 727 HB2 ARG 95 HB2 ARG 95 14.320 -6.071 8.946 728 HB3 ARG 95 HB3 ARG 95 15.469 -6.721 10.127 729 HG2 ARG 95 HG2 ARG 95 17.350 -5.700 9.065 730 HG3 ARG 95 HG3 ARG 95 16.428 -5.285 7.624 731 HD2 ARG 95 HD2 ARG 95 16.789 -3.286 8.955 732 HD3 ARG 95 HD3 ARG 95 15.070 -3.680 8.890 733 HE ARG 95 HE ARG 95 15.040 -4.015 11.155 734 HH11 ARG 95 HH11 ARG 95 18.472 -3.941 10.170 735 HH12 ARG 95 HH12 ARG 95 19.043 -3.889 11.823 736 HH21 ARG 95 HH21 ARG 95 15.824 -3.942 13.260 737 HH22 ARG 95 HH22 ARG 95 17.544 -3.888 13.572 738 H LEU 96 H LEU 96 13.037 -8.165 8.493 739 HA LEU 96 HA LEU 96 11.597 -9.585 9.376 740 HB2 LEU 96 HB2 LEU 96 13.008 -10.933 7.543 741 HB3 LEU 96 HB3 LEU 96 13.366 -11.950 8.879 742 HG LEU 96 HG LEU 96 11.656 -12.901 7.596 743 HD11 LEU 96 HD11 LEU 96 9.901 -13.218 9.172 744 HD12 LEU 96 HD12 LEU 96 10.246 -11.659 9.953 745 HD13 LEU 96 HD13 LEU 96 11.427 -12.995 10.064 746 HD21 LEU 96 HD21 LEU 96 10.139 -10.301 7.921 747 HD22 LEU 96 HD22 LEU 96 9.544 -11.768 7.102 748 HD23 LEU 96 HD23 LEU 96 10.954 -10.884 6.461 749 H GLN 97 H GLN 97 14.758 -10.096 10.877 750 HA GLN 97 HA GLN 97 13.687 -11.383 13.257 751 HB2 GLN 97 HB2 GLN 97 16.430 -10.404 12.424 752 HB3 GLN 97 HB3 GLN 97 16.122 -11.161 13.990 753 HG2 GLN 97 HG2 GLN 97 15.346 -13.222 12.947 754 HG3 GLN 97 HG3 GLN 97 15.444 -12.507 11.340 755 HE21 GLN 97 HE21 GLN 97 16.751 -14.728 11.246 756 HE22 GLN 97 HE22 GLN 97 18.473 -14.372 11.252 757 H THR 98 H THR 98 12.257 -9.090 12.930 758 HA THR 98 HA THR 98 13.182 -7.155 15.029 759 HB THR 98 HB THR 98 12.100 -5.406 13.659 760 HG1 THR 98 HG1 THR 98 11.563 -5.851 11.548 761 HG21 THR 98 HG21 THR 98 14.531 -5.838 13.423 762 HG22 THR 98 HG22 THR 98 13.791 -5.270 11.911 763 HG23 THR 98 HG23 THR 98 14.198 -6.986 12.107 764 HA PRO 99 HA PRO 99 8.887 -8.715 16.006 765 HB2 PRO 99 HB2 PRO 99 9.242 -10.220 18.220 766 HB3 PRO 99 HB3 PRO 99 9.803 -10.784 16.625 767 HG2 PRO 99 HG2 PRO 99 11.447 -9.333 18.744 768 HG3 PRO 99 HG3 PRO 99 11.809 -10.910 17.965 769 HD2 PRO 99 HD2 PRO 99 12.841 -8.561 17.016 770 HD3 PRO 99 HD3 PRO 99 12.354 -9.898 15.934 771 H VAL 100 H VAL 100 9.547 -6.100 16.370 772 HA VAL 100 HA VAL 100 9.385 -5.436 19.266 773 HB VAL 100 HB VAL 100 11.508 -5.056 17.992 774 HG11 VAL 100 HG11 VAL 100 11.755 -3.111 16.570 775 HG12 VAL 100 HG12 VAL 100 10.542 -4.189 15.867 776 HG13 VAL 100 HG13 VAL 100 10.039 -2.711 16.716 777 HG21 VAL 100 HG21 VAL 100 12.015 -2.931 19.043 778 HG22 VAL 100 HG22 VAL 100 10.294 -2.552 19.231 779 HG23 VAL 100 HG23 VAL 100 11.014 -3.906 20.127 780 H THR 101 H THR 101 8.134 -3.731 20.095 781 HA THR 101 HA THR 101 5.739 -2.957 18.695 782 HB THR 101 HB THR 101 5.482 -1.258 20.513 783 HG1 THR 101 HG1 THR 101 7.003 -0.918 21.915 784 HG21 THR 101 HG21 THR 101 6.185 -4.038 21.525 785 HG22 THR 101 HG22 THR 101 4.619 -3.551 20.838 786 HG23 THR 101 HG23 THR 101 5.188 -2.832 22.357 787 H ASN 102 H ASN 102 8.567 -0.970 19.610 788 HA ASN 102 HA ASN 102 8.722 0.248 16.969 789 HB2 ASN 102 HB2 ASN 102 7.018 1.714 17.978 790 HB3 ASN 102 HB3 ASN 102 8.035 1.960 19.406 791 HD21 ASN 102 HD21 ASN 102 7.748 2.647 15.902 792 HD22 ASN 102 HD22 ASN 102 8.885 3.997 15.972 793 H ARG 103 H ARG 103 10.797 0.819 16.537 794 HA ARG 103 HA ARG 103 12.851 -0.095 18.282 795 HB2 ARG 103 HB2 ARG 103 14.321 0.239 16.435 796 HB3 ARG 103 HB3 ARG 103 12.781 -0.374 15.830 797 HG2 ARG 103 HG2 ARG 103 12.151 2.011 15.223 798 HG3 ARG 103 HG3 ARG 103 13.783 2.501 15.718 799 HD2 ARG 103 HD2 ARG 103 14.711 0.891 14.012 800 HD3 ARG 103 HD3 ARG 103 13.052 0.587 13.468 801 HE ARG 103 HE ARG 103 14.153 3.358 13.535 802 HH11 ARG 103 HH11 ARG 103 12.888 0.697 11.521 803 HH12 ARG 103 HH12 ARG 103 12.726 1.720 10.112 804 HH21 ARG 103 HH21 ARG 103 13.915 4.627 11.721 805 HH22 ARG 103 HH22 ARG 103 13.307 3.951 10.225 806 H GLY 104 H GLY 104 11.517 3.018 18.310 807 HA2 GLY 104 HA2 GLY 104 12.118 4.969 19.385 808 HA3 GLY 104 HA3 GLY 104 13.603 4.211 19.959 809 H ILE 105 H ILE 105 12.476 6.691 18.086 810 HA ILE 105 HA ILE 105 14.562 6.458 15.982 811 HB ILE 105 HB ILE 105 13.000 7.065 14.282 812 HG12 ILE 105 HG12 ILE 105 11.240 8.300 15.349 813 HG13 ILE 105 HG13 ILE 105 10.591 6.933 14.475 814 HG21 ILE 105 HG21 ILE 105 13.523 4.729 14.716 815 HG22 ILE 105 HG22 ILE 105 12.094 4.574 15.756 816 HG23 ILE 105 HG23 ILE 105 11.908 4.927 14.025 817 HD11 ILE 105 HD11 ILE 105 10.789 7.201 17.490 818 HD12 ILE 105 HD12 ILE 105 9.340 7.184 16.487 819 HD13 ILE 105 HD13 ILE 105 10.301 5.705 16.654 820 HA PRO 106 HA PRO 106 14.980 10.881 16.690 821 HB2 PRO 106 HB2 PRO 106 16.970 11.455 14.945 822 HB3 PRO 106 HB3 PRO 106 17.238 10.470 16.413 823 HG2 PRO 106 HG2 PRO 106 16.795 9.488 13.577 824 HG3 PRO 106 HG3 PRO 106 18.049 8.973 14.747 825 HD2 PRO 106 HD2 PRO 106 15.674 7.624 14.360 826 HD3 PRO 106 HD3 PRO 106 16.537 7.647 15.927 827 HHA HEC 107 HHA HEC 107 -4.369 -3.300 0.362 828 HHB HEC 107 HHB HEC 107 0.533 0.613 1.669 829 HHC HEC 107 HHC HEC 107 -3.524 4.599 4.811 830 HHD HEC 107 HHD HEC 107 -8.206 0.172 4.189 831 HMA1 HEC 107 HMA1 HEC 107 0.828 -1.235 -0.781 832 HMA2 HEC 107 HMA2 HEC 107 1.366 -1.349 0.914 833 HMA3 HEC 107 HMA3 HEC 107 0.853 -2.796 0.065 834 HAA1 HEC 107 HAA1 HEC 107 -2.757 -3.578 -1.211 835 HAA2 HEC 107 HAA2 HEC 107 -1.047 -3.330 -1.448 836 HBA1 HEC 107 HBA1 HEC 107 -0.498 -4.851 0.379 837 HBA2 HEC 107 HBA2 HEC 107 -2.194 -4.941 0.853 838 HMB1 HEC 107 HMB1 HEC 107 1.657 2.970 4.053 839 HMB2 HEC 107 HMB2 HEC 107 1.730 2.135 2.513 840 HMB3 HEC 107 HMB3 HEC 107 1.484 3.866 2.539 841 HAB HEC 107 HAB HEC 107 -1.649 5.423 4.866 842 HBB1 HEC 107 HBB1 HEC 107 0.615 5.868 2.953 843 HBB2 HEC 107 HBB2 HEC 107 -1.104 6.163 2.595 844 HBB3 HEC 107 HBB3 HEC 107 -0.295 7.051 3.899 845 HMC1 HEC 107 HMC1 HEC 107 -6.334 5.466 5.521 846 HMC2 HEC 107 HMC2 HEC 107 -6.599 4.496 6.979 847 HMC3 HEC 107 HMC3 HEC 107 -4.969 4.890 6.498 848 HAC HEC 107 HAC HEC 107 -8.749 1.476 5.668 849 HBC1 HEC 107 HBC1 HEC 107 -9.243 3.680 4.683 850 HBC2 HEC 107 HBC2 HEC 107 -10.079 3.329 6.209 851 HBC3 HEC 107 HBC3 HEC 107 -8.710 4.441 6.195 852 HMD1 HEC 107 HMD1 HEC 107 -9.493 -1.244 3.044 853 HMD2 HEC 107 HMD2 HEC 107 -9.435 -2.477 1.797 854 HMD3 HEC 107 HMD3 HEC 107 -8.982 -2.902 3.454 855 HAD1 HEC 107 HAD1 HEC 107 -8.001 -4.056 0.888 856 HAD2 HEC 107 HAD2 HEC 107 -6.428 -4.057 0.134 857 HBD1 HEC 107 HBD1 HEC 107 -7.289 -5.259 2.742 858 HBD2 HEC 107 HBD2 HEC 107 -6.238 -5.917 1.482 Start of MODEL 13 1 H SER 1 H SER 1 13.378 6.834 8.026 2 HA SER 1 HA SER 1 10.981 7.427 9.469 3 HB2 SER 1 HB2 SER 1 12.278 8.975 7.217 4 HB3 SER 1 HB3 SER 1 10.964 9.550 8.262 5 HG SER 1 HG SER 1 12.511 10.143 9.529 6 H GLY 2 H GLY 2 11.243 5.660 6.501 7 HA2 GLY 2 HA2 GLY 2 8.642 6.119 5.395 8 HA3 GLY 2 HA3 GLY 2 9.534 4.614 5.376 9 H GLU 3 H GLU 3 9.650 4.363 8.356 10 HA GLU 3 HA GLU 3 7.022 3.232 8.916 11 HB2 GLU 3 HB2 GLU 3 9.006 2.219 9.793 12 HB3 GLU 3 HB3 GLU 3 9.510 3.686 10.591 13 HG2 GLU 3 HG2 GLU 3 6.916 2.283 11.324 14 HG3 GLU 3 HG3 GLU 3 8.472 1.777 11.978 15 H GLN 4 H GLN 4 8.600 6.337 9.648 16 HA GLN 4 HA GLN 4 6.530 7.246 11.487 17 HB2 GLN 4 HB2 GLN 4 8.592 8.834 9.908 18 HB3 GLN 4 HB3 GLN 4 7.592 9.462 11.205 19 HG2 GLN 4 HG2 GLN 4 9.596 7.190 11.616 20 HG3 GLN 4 HG3 GLN 4 9.990 8.891 11.802 21 HE21 GLN 4 HE21 GLN 4 8.286 6.158 13.326 22 HE22 GLN 4 HE22 GLN 4 7.918 7.064 14.791 23 H ILE 5 H ILE 5 7.109 7.547 7.962 24 HA ILE 5 HA ILE 5 4.728 9.050 7.366 25 HB ILE 5 HB ILE 5 6.225 7.057 5.621 26 HG12 ILE 5 HG12 ILE 5 6.292 10.108 5.575 27 HG13 ILE 5 HG13 ILE 5 7.505 9.123 6.389 28 HG21 ILE 5 HG21 ILE 5 3.879 7.369 4.820 29 HG22 ILE 5 HG22 ILE 5 4.063 9.128 4.920 30 HG23 ILE 5 HG23 ILE 5 4.988 8.182 3.733 31 HD11 ILE 5 HD11 ILE 5 8.377 9.757 4.254 32 HD12 ILE 5 HD12 ILE 5 8.050 8.014 4.216 33 HD13 ILE 5 HD13 ILE 5 6.952 9.152 3.406 34 H PHE 6 H PHE 6 5.282 5.443 7.432 35 HA PHE 6 HA PHE 6 2.597 4.769 6.873 36 HB2 PHE 6 HB2 PHE 6 4.603 3.207 6.969 37 HB3 PHE 6 HB3 PHE 6 4.422 3.184 8.717 38 HD1 PHE 6 HD2 PHE 6 2.204 2.309 9.715 39 HD2 PHE 6 HD1 PHE 6 3.229 1.844 5.556 40 HE1 PHE 6 HE2 PHE 6 0.439 0.591 9.477 41 HE2 PHE 6 HE1 PHE 6 1.472 0.113 5.319 42 HZ PHE 6 HZ PHE 6 0.069 -0.519 7.280 43 H ARG 7 H ARG 7 4.074 5.436 10.107 44 HA ARG 7 HA ARG 7 1.675 4.946 11.532 45 HB2 ARG 7 HB2 ARG 7 4.042 5.101 12.415 46 HB3 ARG 7 HB3 ARG 7 3.862 6.867 12.400 47 HG2 ARG 7 HG2 ARG 7 1.927 6.676 13.939 48 HG3 ARG 7 HG3 ARG 7 1.992 4.909 13.814 49 HD2 ARG 7 HD2 ARG 7 4.356 5.041 14.791 50 HD3 ARG 7 HD3 ARG 7 4.034 6.747 15.118 51 HE ARG 7 HE ARG 7 2.544 6.160 16.812 52 HH11 ARG 7 HH11 ARG 7 3.549 3.200 15.086 53 HH12 ARG 7 HH12 ARG 7 2.770 2.140 16.239 54 HH21 ARG 7 HH21 ARG 7 1.532 4.733 18.271 55 HH22 ARG 7 HH22 ARG 7 1.617 3.005 18.018 56 H THR 8 H THR 8 2.838 7.955 9.998 57 HA THR 8 HA THR 8 0.559 9.477 11.066 58 HB THR 8 HB THR 8 1.487 11.369 9.657 59 HG1 THR 8 HG1 THR 8 3.745 9.675 9.438 60 HG21 THR 8 HG21 THR 8 3.451 11.736 11.119 61 HG22 THR 8 HG22 THR 8 3.328 10.054 11.680 62 HG23 THR 8 HG23 THR 8 2.027 11.206 12.026 63 H ARG 9 H ARG 9 1.090 7.756 8.084 64 HA ARG 9 HA ARG 9 -1.392 9.026 6.966 65 HB2 ARG 9 HB2 ARG 9 1.004 7.815 5.543 66 HB3 ARG 9 HB3 ARG 9 -0.421 8.475 4.752 67 HG2 ARG 9 HG2 ARG 9 1.493 10.090 6.496 68 HG3 ARG 9 HG3 ARG 9 1.497 10.035 4.736 69 HD2 ARG 9 HD2 ARG 9 -0.807 10.950 4.684 70 HD3 ARG 9 HD3 ARG 9 -0.814 11.035 6.454 71 HE ARG 9 HE ARG 9 1.458 12.432 5.530 72 HH11 ARG 9 HH11 ARG 9 -2.094 12.763 5.451 73 HH12 ARG 9 HH12 ARG 9 -2.035 14.510 5.406 74 HH21 ARG 9 HH21 ARG 9 1.482 14.707 5.486 75 HH22 ARG 9 HH22 ARG 9 -0.016 15.606 5.405 76 H CYS 10 H CYS 10 -0.134 5.930 7.929 77 HA CYS 10 HA CYS 10 -2.199 4.539 6.295 78 HB2 CYS 10 HB2 CYS 10 0.586 3.568 6.884 79 HB3 CYS 10 HB3 CYS 10 -0.561 2.871 5.760 80 H SER 11 H SER 11 -1.538 4.967 9.533 81 HA SER 11 HA SER 11 -1.583 2.157 10.321 82 HB2 SER 11 HB2 SER 11 -0.430 4.315 11.397 83 HB3 SER 11 HB3 SER 11 -1.920 4.315 12.356 84 HG SER 11 HG SER 11 0.244 2.664 12.397 85 H SER 12 H SER 12 -2.979 1.929 12.541 86 HA SER 12 HA SER 12 -4.889 1.111 13.359 87 HB2 SER 12 HB2 SER 12 -5.828 3.834 12.462 88 HB3 SER 12 HB3 SER 12 -6.837 2.737 13.422 89 HG SER 12 HG SER 12 -5.204 2.642 14.978 90 H CYS 13 H CYS 13 -5.341 1.674 9.916 91 HA CYS 13 HA CYS 13 -7.717 -0.091 9.888 92 HB2 CYS 13 HB2 CYS 13 -6.012 0.909 7.597 93 HB3 CYS 13 HB3 CYS 13 -7.592 0.123 7.485 94 H HIS 14 H HIS 14 -4.244 -0.330 9.415 95 HA HIS 14 HA HIS 14 -4.241 -3.236 9.611 96 HB2 HIS 14 2HB HIS 14 -2.634 -3.326 7.544 97 HB3 HIS 14 3HB HIS 14 -4.378 -3.349 7.324 98 HD1 HIS 14 1HD HIS 14 -2.384 -0.036 7.772 99 HD2 HIS 14 2HD HIS 14 -4.449 -2.429 5.024 100 HE1 HIS 14 1HE HIS 14 -2.618 1.384 5.707 101 H THR 15 H THR 15 -2.000 -4.012 9.445 102 HA THR 15 HA THR 15 0.111 -2.212 10.515 103 HB THR 15 HB THR 15 0.725 -3.903 12.282 104 HG1 THR 15 HG1 THR 15 -0.382 -5.626 12.400 105 HG21 THR 15 HG21 THR 15 -1.966 -2.545 12.683 106 HG22 THR 15 HG22 THR 15 -0.375 -1.790 12.901 107 HG23 THR 15 HG23 THR 15 -0.871 -3.127 13.954 108 H VAL 16 H VAL 16 2.250 -3.323 10.582 109 HA VAL 16 HA VAL 16 2.474 -5.328 8.356 110 HB VAL 16 HB VAL 16 4.395 -3.031 8.859 111 HG11 VAL 16 HG11 VAL 16 5.246 -4.990 7.565 112 HG12 VAL 16 HG12 VAL 16 3.888 -4.811 6.426 113 HG13 VAL 16 HG13 VAL 16 5.119 -3.538 6.574 114 HG21 VAL 16 HG21 VAL 16 1.889 -3.142 7.129 115 HG22 VAL 16 HG22 VAL 16 2.385 -1.905 8.288 116 HG23 VAL 16 HG23 VAL 16 3.257 -2.050 6.765 117 H GLY 17 H GLY 17 2.302 -6.824 10.139 118 HA2 GLY 17 HA2 GLY 17 3.194 -8.325 11.653 119 HA3 GLY 17 HA3 GLY 17 4.799 -7.774 11.193 120 H ASN 18 H ASN 18 3.079 -5.118 12.359 121 HA ASN 18 HA ASN 18 4.809 -4.939 14.656 122 HB2 ASN 18 HB2 ASN 18 2.409 -3.150 14.282 123 HB3 ASN 18 HB3 ASN 18 3.992 -2.758 14.942 124 HD21 ASN 18 HD21 ASN 18 5.852 -3.097 13.088 125 HD22 ASN 18 HD22 ASN 18 5.384 -2.427 11.546 126 H THR 19 H THR 19 1.457 -5.929 14.310 127 HA THR 19 HA THR 19 -0.163 -6.590 15.789 128 HB THR 19 HB THR 19 2.158 -8.094 17.014 129 HG1 THR 19 HG1 THR 19 2.146 -9.337 15.289 130 HG21 THR 19 HG21 THR 19 -0.708 -8.942 16.333 131 HG22 THR 19 HG22 THR 19 -0.111 -8.610 17.971 132 HG23 THR 19 HG23 THR 19 0.550 -9.966 17.058 133 H GLU 20 H GLU 20 0.338 -4.104 16.532 134 HA GLU 20 HA GLU 20 1.446 -3.727 19.096 135 HB2 GLU 20 HB2 GLU 20 -0.352 -1.979 17.378 136 HB3 GLU 20 HB3 GLU 20 0.315 -1.438 18.918 137 HG2 GLU 20 HG2 GLU 20 2.620 -1.886 18.047 138 HG3 GLU 20 HG3 GLU 20 1.912 -2.295 16.479 139 HA PRO 21 HA PRO 21 -1.912 -4.200 22.071 140 HB2 PRO 21 HB2 PRO 21 -0.965 -1.518 23.101 141 HB3 PRO 21 HB3 PRO 21 -1.307 -3.022 24.013 142 HG2 PRO 21 HG2 PRO 21 1.249 -2.324 23.491 143 HG3 PRO 21 HG3 PRO 21 0.719 -4.028 23.297 144 HD2 PRO 21 HD2 PRO 21 1.056 -1.894 21.173 145 HD3 PRO 21 HD3 PRO 21 1.607 -3.599 21.174 146 H GLY 22 H GLY 22 -1.489 -1.130 20.333 147 HA2 GLY 22 HA2 GLY 22 -4.414 -0.614 20.175 148 HA3 GLY 22 HA3 GLY 22 -3.115 0.274 19.361 149 H GLN 23 H GLN 23 -5.106 -2.646 19.284 150 HA GLN 23 HA GLN 23 -3.815 -3.772 16.952 151 HB2 GLN 23 HB2 GLN 23 -5.438 -5.483 17.016 152 HB3 GLN 23 HB3 GLN 23 -4.920 -5.171 18.663 153 HG2 GLN 23 HG2 GLN 23 -7.545 -4.136 17.488 154 HG3 GLN 23 HG3 GLN 23 -7.368 -5.656 18.336 155 HE21 GLN 23 HE21 GLN 23 -7.571 -5.660 20.575 156 HE22 GLN 23 HE22 GLN 23 -7.608 -4.179 21.533 157 HA PRO 24 HA PRO 24 -5.894 -1.302 13.933 158 HB2 PRO 24 HB2 PRO 24 -5.858 -2.884 11.685 159 HB3 PRO 24 HB3 PRO 24 -4.405 -2.079 12.359 160 HG2 PRO 24 HG2 PRO 24 -5.331 -4.942 12.779 161 HG3 PRO 24 HG3 PRO 24 -3.692 -4.352 12.361 162 HD2 PRO 24 HD2 PRO 24 -4.399 -4.967 14.921 163 HD3 PRO 24 HD3 PRO 24 -3.302 -3.597 14.568 164 H GLY 25 H GLY 25 -7.982 -0.844 13.611 165 HA2 GLY 25 HA2 GLY 25 -10.015 -2.564 14.615 166 HA3 GLY 25 HA3 GLY 25 -10.253 -1.007 13.816 167 H ILE 26 H ILE 26 -9.038 -1.938 11.270 168 HA ILE 26 HA ILE 26 -11.424 -3.323 10.188 169 HB ILE 26 HB ILE 26 -9.083 -2.143 8.668 170 HG12 ILE 26 HG12 ILE 26 -10.033 -0.301 9.877 171 HG13 ILE 26 HG13 ILE 26 -10.524 -0.194 8.200 172 HG21 ILE 26 HG21 ILE 26 -10.637 -2.127 6.773 173 HG22 ILE 26 HG22 ILE 26 -10.356 -3.764 7.357 174 HG23 ILE 26 HG23 ILE 26 -11.872 -2.934 7.754 175 HD11 ILE 26 HD11 ILE 26 -12.784 -1.044 8.796 176 HD12 ILE 26 HD12 ILE 26 -12.278 -1.196 10.495 177 HD13 ILE 26 HD13 ILE 26 -12.351 0.394 9.741 178 H GLY 27 H GLY 27 -7.856 -3.786 10.011 179 HA2 GLY 27 HA2 GLY 27 -7.427 -5.551 11.638 180 HA3 GLY 27 HA3 GLY 27 -8.492 -6.610 10.760 181 HA PRO 28 HA PRO 28 -5.452 -8.289 8.330 182 HB2 PRO 28 HB2 PRO 28 -4.746 -7.374 5.855 183 HB3 PRO 28 HB3 PRO 28 -6.382 -7.969 6.268 184 HG2 PRO 28 HG2 PRO 28 -5.411 -5.104 6.174 185 HG3 PRO 28 HG3 PRO 28 -6.904 -5.791 5.459 186 HD2 PRO 28 HD2 PRO 28 -6.873 -4.508 7.875 187 HD3 PRO 28 HD3 PRO 28 -7.978 -5.873 7.549 188 H ASP 29 H ASP 29 -3.231 -8.733 7.604 189 HA ASP 29 HA ASP 29 -1.257 -6.722 8.589 190 HB2 ASP 29 HB2 ASP 29 -1.504 -8.797 9.955 191 HB3 ASP 29 HB3 ASP 29 -0.926 -9.730 8.570 192 H LEU 30 H LEU 30 0.350 -6.078 7.312 193 HA LEU 30 HA LEU 30 0.326 -7.030 4.489 194 HB2 LEU 30 HB2 LEU 30 1.647 -4.484 5.344 195 HB3 LEU 30 HB3 LEU 30 0.906 -4.895 3.809 196 HG LEU 30 HG LEU 30 -0.542 -4.239 6.409 197 HD11 LEU 30 HD11 LEU 30 0.587 -2.322 5.304 198 HD12 LEU 30 HD12 LEU 30 -1.171 -2.167 5.240 199 HD13 LEU 30 HD13 LEU 30 -0.272 -2.683 3.791 200 HD21 LEU 30 HD21 LEU 30 -1.686 -4.695 3.595 201 HD22 LEU 30 HD22 LEU 30 -2.608 -4.176 5.033 202 HD23 LEU 30 HD23 LEU 30 -1.897 -5.788 4.969 203 H LEU 31 H LEU 31 2.274 -7.787 7.067 204 HA LEU 31 HA LEU 31 4.879 -7.156 6.133 205 HB2 LEU 31 HB2 LEU 31 4.393 -7.883 8.356 206 HB3 LEU 31 HB3 LEU 31 4.161 -9.537 7.775 207 HG LEU 31 HG LEU 31 6.480 -9.727 7.116 208 HD11 LEU 31 HD11 LEU 31 7.059 -7.469 6.240 209 HD12 LEU 31 HD12 LEU 31 8.143 -7.900 7.548 210 HD13 LEU 31 HD13 LEU 31 6.804 -6.774 7.850 211 HD21 LEU 31 HD21 LEU 31 6.301 -8.173 9.698 212 HD22 LEU 31 HD22 LEU 31 7.535 -9.393 9.289 213 HD23 LEU 31 HD23 LEU 31 5.848 -9.890 9.537 214 H GLY 32 H GLY 32 6.225 -8.044 4.750 215 HA2 GLY 32 HA2 GLY 32 7.141 -9.395 3.102 216 HA3 GLY 32 HA3 GLY 32 5.857 -10.561 3.357 217 H VAL 33 H VAL 33 4.087 -7.780 2.730 218 HA VAL 33 HA VAL 33 3.198 -8.666 0.267 219 HB VAL 33 HB VAL 33 2.065 -7.046 1.743 220 HG11 VAL 33 HG11 VAL 33 2.431 -4.669 1.576 221 HG12 VAL 33 HG12 VAL 33 3.951 -5.418 2.073 222 HG13 VAL 33 HG13 VAL 33 3.734 -4.881 0.391 223 HG21 VAL 33 HG21 VAL 33 2.221 -6.151 -1.156 224 HG22 VAL 33 HG22 VAL 33 1.236 -7.492 -0.518 225 HG23 VAL 33 HG23 VAL 33 0.902 -5.837 -0.011 226 H THR 34 H THR 34 5.957 -6.501 0.745 227 HA THR 34 HA THR 34 6.442 -5.782 -2.006 228 HB THR 34 HB THR 34 8.785 -5.266 -0.938 229 HG1 THR 34 HG1 THR 34 8.443 -5.125 1.440 230 HG21 THR 34 HG21 THR 34 7.953 -3.264 0.120 231 HG22 THR 34 HG22 THR 34 6.318 -3.961 0.283 232 HG23 THR 34 HG23 THR 34 6.987 -3.576 -1.321 233 H ARG 35 H ARG 35 7.220 -8.635 -0.162 234 HA ARG 35 HA ARG 35 9.144 -9.664 -2.166 235 HB2 ARG 35 HB2 ARG 35 9.516 -9.872 0.306 236 HB3 ARG 35 HB3 ARG 35 8.080 -10.881 0.415 237 HG2 ARG 35 HG2 ARG 35 10.074 -12.234 0.473 238 HG3 ARG 35 HG3 ARG 35 9.163 -12.609 -0.987 239 HD2 ARG 35 HD2 ARG 35 10.721 -11.253 -2.337 240 HD3 ARG 35 HD3 ARG 35 11.560 -10.728 -0.863 241 HE ARG 35 HE ARG 35 11.397 -13.631 -1.429 242 HH11 ARG 35 HH11 ARG 35 13.467 -10.721 -1.411 243 HH12 ARG 35 HH12 ARG 35 14.945 -11.656 -1.460 244 HH21 ARG 35 HH21 ARG 35 13.335 -14.787 -1.497 245 HH22 ARG 35 HH22 ARG 35 14.869 -13.947 -1.536 246 H GLN 36 H GLN 36 5.781 -9.767 -1.443 247 HA GLN 36 HA GLN 36 5.289 -12.324 -2.848 248 HB2 GLN 36 HB2 GLN 36 3.496 -10.447 -1.289 249 HB3 GLN 36 HB3 GLN 36 2.999 -11.998 -1.967 250 HG2 GLN 36 HG2 GLN 36 4.410 -13.245 -0.475 251 HG3 GLN 36 HG3 GLN 36 5.240 -11.815 0.085 252 HE21 GLN 36 HE21 GLN 36 4.494 -12.784 2.299 253 HE22 GLN 36 HE22 GLN 36 2.839 -12.423 2.789 254 H ARG 37 H ARG 37 4.040 -8.937 -3.105 255 HA ARG 37 HA ARG 37 2.539 -9.509 -5.516 256 HB2 ARG 37 HB2 ARG 37 3.158 -6.899 -4.095 257 HB3 ARG 37 HB3 ARG 37 2.033 -7.050 -5.440 258 HG2 ARG 37 HG2 ARG 37 1.714 -8.437 -2.748 259 HG3 ARG 37 HG3 ARG 37 0.888 -6.967 -3.270 260 HD2 ARG 37 HD2 ARG 37 -0.161 -8.239 -5.148 261 HD3 ARG 37 HD3 ARG 37 0.616 -9.719 -4.548 262 HE ARG 37 HE ARG 37 -0.896 -8.401 -2.480 263 HH11 ARG 37 HH11 ARG 37 -1.299 -10.518 -5.320 264 HH12 ARG 37 HH12 ARG 37 -2.776 -11.229 -4.712 265 HH21 ARG 37 HH21 ARG 37 -2.820 -9.336 -1.737 266 HH22 ARG 37 HH22 ARG 37 -3.650 -10.540 -2.695 267 H ASP 38 H ASP 38 2.609 -8.296 -7.443 268 HA ASP 38 HA ASP 38 5.107 -7.987 -8.879 269 HB2 ASP 38 HB2 ASP 38 2.244 -6.992 -9.289 270 HB3 ASP 38 HB3 ASP 38 3.553 -6.586 -10.394 271 H ALA 39 H ALA 39 6.571 -6.434 -8.633 272 HA ALA 39 HA ALA 39 6.315 -4.548 -6.569 273 HB1 ALA 39 HB1 ALA 39 8.384 -5.652 -7.258 274 HB2 ALA 39 HB2 ALA 39 8.377 -4.770 -8.795 275 HB3 ALA 39 HB3 ALA 39 8.589 -3.882 -7.265 276 H ASN 40 H ASN 40 6.497 -3.773 -10.117 277 HA ASN 40 HA ASN 40 6.115 -0.945 -9.666 278 HB2 ASN 40 HB2 ASN 40 6.348 -2.754 -12.016 279 HB3 ASN 40 HB3 ASN 40 5.226 -1.429 -12.275 280 HD21 ASN 40 HD21 ASN 40 8.621 -2.235 -11.915 281 HD22 ASN 40 HD22 ASN 40 9.181 -0.586 -12.195 282 H TRP 41 H TRP 41 3.807 -3.586 -9.994 283 HA TRP 41 HA TRP 41 1.441 -1.913 -10.284 284 HB2 TRP 41 HB2 TRP 41 1.454 -4.261 -10.983 285 HB3 TRP 41 HB3 TRP 41 1.808 -4.769 -9.334 286 HD1 TRP 41 HD1 TRP 41 -1.038 -3.721 -11.574 287 HE1 TRP 41 HE1 TRP 41 -3.282 -4.023 -10.364 288 HE3 TRP 41 HE3 TRP 41 0.695 -4.856 -6.889 289 HZ2 TRP 41 HZ2 TRP 41 -4.180 -4.186 -7.608 290 HZ3 TRP 41 HZ3 TRP 41 -0.876 -4.959 -4.963 291 HH2 TRP 41 HH2 TRP 41 -3.296 -4.539 -5.307 292 H LEU 42 H LEU 42 3.025 -3.526 -7.465 293 HA LEU 42 HA LEU 42 1.175 -2.703 -5.509 294 HB2 LEU 42 HB2 LEU 42 2.837 -4.459 -5.158 295 HB3 LEU 42 HB3 LEU 42 4.155 -3.310 -5.360 296 HG LEU 42 HG LEU 42 3.465 -2.138 -3.269 297 HD11 LEU 42 HD11 LEU 42 1.085 -2.696 -3.171 298 HD12 LEU 42 HD12 LEU 42 1.905 -3.306 -1.723 299 HD13 LEU 42 HD13 LEU 42 1.465 -4.428 -3.030 300 HD21 LEU 42 HD21 LEU 42 5.177 -3.916 -3.255 301 HD22 LEU 42 HD22 LEU 42 3.920 -5.117 -2.891 302 HD23 LEU 42 HD23 LEU 42 4.280 -3.820 -1.733 303 H VAL 43 H VAL 43 4.164 -1.058 -6.571 304 HA VAL 43 HA VAL 43 3.911 1.181 -4.745 305 HB VAL 43 HB VAL 43 5.610 0.825 -7.233 306 HG11 VAL 43 HG11 VAL 43 5.796 2.849 -4.953 307 HG12 VAL 43 HG12 VAL 43 7.051 2.575 -6.185 308 HG13 VAL 43 HG13 VAL 43 5.478 3.204 -6.670 309 HG21 VAL 43 HG21 VAL 43 6.108 0.358 -4.247 310 HG22 VAL 43 HG22 VAL 43 6.125 -0.861 -5.527 311 HG23 VAL 43 HG23 VAL 43 7.383 0.367 -5.481 312 H ARG 44 H ARG 44 2.508 0.569 -7.900 313 HA ARG 44 HA ARG 44 1.482 3.308 -8.096 314 HB2 ARG 44 HB2 ARG 44 1.931 1.588 -10.031 315 HB3 ARG 44 HB3 ARG 44 0.261 1.088 -9.713 316 HG2 ARG 44 HG2 ARG 44 -0.461 3.477 -9.992 317 HG3 ARG 44 HG3 ARG 44 1.226 3.950 -10.201 318 HD2 ARG 44 HD2 ARG 44 0.759 3.821 -12.399 319 HD3 ARG 44 HD3 ARG 44 1.125 2.114 -12.170 320 HE ARG 44 HE ARG 44 -1.104 1.601 -12.527 321 HH11 ARG 44 HH11 ARG 44 -0.862 5.126 -11.966 322 HH12 ARG 44 HH12 ARG 44 -2.492 5.425 -12.520 323 HH21 ARG 44 HH21 ARG 44 -3.197 2.056 -13.245 324 HH22 ARG 44 HH22 ARG 44 -3.806 3.694 -13.241 325 H TRP 45 H TRP 45 0.036 0.144 -7.283 326 HA TRP 45 HA TRP 45 -2.584 0.997 -6.703 327 HB2 TRP 45 HB2 TRP 45 -2.191 -1.317 -6.948 328 HB3 TRP 45 HB3 TRP 45 -0.882 -1.317 -5.776 329 HD1 TRP 45 HD1 TRP 45 -1.414 -2.163 -3.510 330 HE1 TRP 45 HE1 TRP 45 -3.517 -2.561 -2.069 331 HE3 TRP 45 HE3 TRP 45 -4.928 -0.054 -6.582 332 HZ2 TRP 45 HZ2 TRP 45 -6.338 -1.950 -2.192 333 HZ3 TRP 45 HZ3 TRP 45 -7.304 0.081 -5.859 334 HH2 TRP 45 HH2 TRP 45 -8.014 -0.878 -3.679 335 H LEU 46 H LEU 46 0.121 0.687 -4.322 336 HA LEU 46 HA LEU 46 -1.612 1.493 -2.196 337 HB2 LEU 46 HB2 LEU 46 0.034 0.954 -0.838 338 HB3 LEU 46 HB3 LEU 46 0.718 0.203 -2.265 339 HG LEU 46 HG LEU 46 1.562 2.784 -0.900 340 HD11 LEU 46 HD11 LEU 46 3.082 0.241 -1.604 341 HD12 LEU 46 HD12 LEU 46 2.319 0.535 -0.027 342 HD13 LEU 46 HD13 LEU 46 3.636 1.580 -0.576 343 HD21 LEU 46 HD21 LEU 46 2.160 1.842 -3.681 344 HD22 LEU 46 HD22 LEU 46 3.480 2.575 -2.740 345 HD23 LEU 46 HD23 LEU 46 2.035 3.496 -3.054 346 H LYS 47 H LYS 47 -0.129 3.371 -4.568 347 HA LYS 47 HA LYS 47 -0.090 5.935 -3.104 348 HB2 LYS 47 HB2 LYS 47 1.727 5.385 -4.662 349 HB3 LYS 47 HB3 LYS 47 0.576 5.087 -5.949 350 HG2 LYS 47 HG2 LYS 47 -0.099 7.599 -5.710 351 HG3 LYS 47 HG3 LYS 47 1.337 7.732 -4.693 352 HD2 LYS 47 HD2 LYS 47 1.968 8.378 -6.927 353 HD3 LYS 47 HD3 LYS 47 2.669 6.779 -6.652 354 HE2 LYS 47 HE2 LYS 47 0.603 5.821 -7.843 355 HE3 LYS 47 HE3 LYS 47 0.127 7.491 -8.203 356 HZ1 LYS 47 HZ1 LYS 47 2.240 7.738 -9.402 357 HZ2 LYS 47 HZ2 LYS 47 1.343 6.516 -10.039 358 HZ3 LYS 47 HZ3 LYS 47 2.636 6.168 -9.061 359 H VAL 48 H VAL 48 -1.912 4.446 -5.833 360 HA VAL 48 HA VAL 48 -3.864 6.698 -5.621 361 HB VAL 48 HB VAL 48 -1.972 6.839 -7.343 362 HG11 VAL 48 HG11 VAL 48 -2.186 5.938 -9.471 363 HG12 VAL 48 HG12 VAL 48 -2.394 4.555 -8.377 364 HG13 VAL 48 HG13 VAL 48 -3.800 5.291 -9.170 365 HG21 VAL 48 HG21 VAL 48 -3.611 8.492 -7.200 366 HG22 VAL 48 HG22 VAL 48 -3.478 8.050 -8.910 367 HG23 VAL 48 HG23 VAL 48 -4.842 7.461 -7.935 368 HA PRO 49 HA PRO 49 -5.628 2.321 -5.862 369 HB2 PRO 49 HB2 PRO 49 -6.990 2.126 -3.476 370 HB3 PRO 49 HB3 PRO 49 -5.235 1.820 -3.625 371 HG2 PRO 49 HG2 PRO 49 -6.599 4.408 -2.794 372 HG3 PRO 49 HG3 PRO 49 -5.276 3.549 -1.954 373 HD2 PRO 49 HD2 PRO 49 -4.746 5.608 -3.597 374 HD3 PRO 49 HD3 PRO 49 -3.709 4.150 -3.594 375 H ASP 50 H ASP 50 -7.377 5.193 -4.618 376 HA ASP 50 HA ASP 50 -10.008 4.305 -5.294 377 HB2 ASP 50 HB2 ASP 50 -9.572 6.075 -3.672 378 HB3 ASP 50 HB3 ASP 50 -8.823 7.082 -4.903 379 H GLN 51 H GLN 51 -7.571 6.166 -7.159 380 HA GLN 51 HA GLN 51 -9.250 6.594 -9.443 381 HB2 GLN 51 HB2 GLN 51 -7.224 7.935 -8.888 382 HB3 GLN 51 HB3 GLN 51 -6.231 6.495 -9.204 383 HG2 GLN 51 HG2 GLN 51 -6.185 8.050 -11.082 384 HG3 GLN 51 HG3 GLN 51 -6.852 6.491 -11.542 385 HE21 GLN 51 HE21 GLN 51 -9.101 6.358 -12.109 386 HE22 GLN 51 HE22 GLN 51 -10.052 7.823 -12.388 387 H MET 52 H MET 52 -6.874 3.986 -8.598 388 HA MET 52 HA MET 52 -7.044 2.695 -11.151 389 HB2 MET 52 HB2 MET 52 -6.166 1.857 -8.354 390 HB3 MET 52 HB3 MET 52 -6.231 0.674 -9.678 391 HG2 MET 52 HG2 MET 52 -4.770 2.051 -11.035 392 HG3 MET 52 HG3 MET 52 -4.741 3.312 -9.800 393 HE1 MET 52 HE1 MET 52 -2.593 -0.787 -9.483 394 HE2 MET 52 HE2 MET 52 -4.367 -0.653 -9.489 395 HE3 MET 52 HE3 MET 52 -3.433 -0.195 -10.933 396 H LEU 53 H LEU 53 -9.099 2.415 -8.252 397 HA LEU 53 HA LEU 53 -10.774 0.326 -9.398 398 HB2 LEU 53 HB2 LEU 53 -10.699 2.041 -6.982 399 HB3 LEU 53 HB3 LEU 53 -12.340 1.815 -7.569 400 HG LEU 53 HG LEU 53 -10.499 -0.562 -7.419 401 HD11 LEU 53 HD11 LEU 53 -10.369 0.537 -5.192 402 HD12 LEU 53 HD12 LEU 53 -11.218 -1.011 -5.129 403 HD13 LEU 53 HD13 LEU 53 -12.147 0.505 -5.087 404 HD21 LEU 53 HD21 LEU 53 -13.501 -0.275 -7.018 405 HD22 LEU 53 HD22 LEU 53 -12.575 -1.782 -7.129 406 HD23 LEU 53 HD23 LEU 53 -12.724 -0.732 -8.545 407 H ALA 54 H ALA 54 -11.046 3.855 -9.211 408 HA ALA 54 HA ALA 54 -13.448 4.128 -10.679 409 HB1 ALA 54 HB1 ALA 54 -11.121 6.070 -10.447 410 HB2 ALA 54 HB2 ALA 54 -12.756 6.483 -10.974 411 HB3 ALA 54 HB3 ALA 54 -12.483 5.917 -9.315 412 H GLU 55 H GLU 55 -10.142 3.744 -11.952 413 HA GLU 55 HA GLU 55 -11.053 4.121 -14.725 414 HB2 GLU 55 HB2 GLU 55 -8.840 4.269 -15.299 415 HB3 GLU 55 HB3 GLU 55 -8.825 4.938 -13.691 416 HG2 GLU 55 HG2 GLU 55 -7.959 2.722 -12.899 417 HG3 GLU 55 HG3 GLU 55 -7.969 2.131 -14.550 418 H LYS 56 H LYS 56 -10.984 1.497 -12.615 419 HA LYS 56 HA LYS 56 -10.887 -0.754 -12.713 420 HB2 LYS 56 HB2 LYS 56 -11.840 -0.577 -15.583 421 HB3 LYS 56 HB3 LYS 56 -11.912 -1.984 -14.525 422 HG2 LYS 56 HG2 LYS 56 -13.409 0.624 -14.124 423 HG3 LYS 56 HG3 LYS 56 -14.066 -0.861 -14.791 424 HD2 LYS 56 HD2 LYS 56 -13.878 -2.044 -12.720 425 HD3 LYS 56 HD3 LYS 56 -12.975 -0.736 -11.956 426 HE2 LYS 56 HE2 LYS 56 -15.861 -0.583 -12.923 427 HE3 LYS 56 HE3 LYS 56 -15.339 -0.792 -11.245 428 HZ1 LYS 56 HZ1 LYS 56 -14.885 1.589 -12.955 429 HZ2 LYS 56 HZ2 LYS 56 -14.129 1.367 -11.506 430 HZ3 LYS 56 HZ3 LYS 56 -15.757 1.543 -11.580 431 H ASP 57 H ASP 57 -8.815 -0.750 -12.324 432 HA ASP 57 HA ASP 57 -6.865 -1.430 -14.456 433 HB2 ASP 57 HB2 ASP 57 -6.469 0.570 -12.655 434 HB3 ASP 57 HB3 ASP 57 -5.913 -0.782 -11.693 435 HA PRO 58 HA PRO 58 -8.001 -5.260 -12.771 436 HB2 PRO 58 HB2 PRO 58 -6.445 -6.935 -14.217 437 HB3 PRO 58 HB3 PRO 58 -7.764 -5.885 -14.877 438 HG2 PRO 58 HG2 PRO 58 -4.801 -5.188 -14.830 439 HG3 PRO 58 HG3 PRO 58 -5.868 -5.318 -16.280 440 HD2 PRO 58 HD2 PRO 58 -5.446 -2.999 -14.995 441 HD3 PRO 58 HD3 PRO 58 -7.095 -3.421 -15.549 442 H LEU 59 H LEU 59 -6.887 -7.363 -11.856 443 HA LEU 59 HA LEU 59 -6.554 -8.034 -9.830 444 HB2 LEU 59 HB2 LEU 59 -4.284 -8.036 -10.726 445 HB3 LEU 59 HB3 LEU 59 -3.979 -6.456 -10.008 446 HG LEU 59 HG LEU 59 -4.169 -7.348 -7.766 447 HD11 LEU 59 HD11 LEU 59 -4.359 -9.826 -7.395 448 HD12 LEU 59 HD12 LEU 59 -4.827 -10.016 -9.100 449 HD13 LEU 59 HD13 LEU 59 -5.860 -9.106 -7.972 450 HD21 LEU 59 HD21 LEU 59 -2.539 -9.094 -9.653 451 HD22 LEU 59 HD22 LEU 59 -2.207 -8.874 -7.910 452 HD23 LEU 59 HD23 LEU 59 -2.052 -7.501 -9.027 453 H ALA 60 H ALA 60 -6.175 -4.389 -9.792 454 HA ALA 60 HA ALA 60 -6.479 -4.232 -6.941 455 HB1 ALA 60 HB1 ALA 60 -5.619 -2.379 -8.273 456 HB2 ALA 60 HB2 ALA 60 -7.190 -2.221 -9.114 457 HB3 ALA 60 HB3 ALA 60 -7.084 -1.894 -7.383 458 H MET 61 H MET 61 -8.918 -3.739 -9.491 459 HA MET 61 HA MET 61 -11.161 -3.572 -7.673 460 HB2 MET 61 HB2 MET 61 -12.488 -3.529 -9.725 461 HB3 MET 61 HB3 MET 61 -11.167 -2.383 -9.745 462 HG2 MET 61 HG2 MET 61 -10.135 -3.319 -11.505 463 HG3 MET 61 HG3 MET 61 -10.352 -4.964 -10.916 464 HE1 MET 61 HE1 MET 61 -13.373 -5.274 -10.529 465 HE2 MET 61 HE2 MET 61 -13.811 -6.011 -12.095 466 HE3 MET 61 HE3 MET 61 -12.287 -6.458 -11.282 467 H LEU 62 H LEU 62 -9.392 -6.272 -8.392 468 HA LEU 62 HA LEU 62 -11.629 -8.095 -7.587 469 HB2 LEU 62 HB2 LEU 62 -8.805 -8.639 -8.516 470 HB3 LEU 62 HB3 LEU 62 -9.953 -9.866 -7.997 471 HG LEU 62 HG LEU 62 -10.181 -8.124 -10.492 472 HD11 LEU 62 HD11 LEU 62 -8.592 -10.038 -10.603 473 HD12 LEU 62 HD12 LEU 62 -9.990 -10.268 -11.668 474 HD13 LEU 62 HD13 LEU 62 -9.901 -11.136 -10.122 475 HD21 LEU 62 HD21 LEU 62 -12.127 -10.203 -9.388 476 HD22 LEU 62 HD22 LEU 62 -12.177 -9.528 -11.030 477 HD23 LEU 62 HD23 LEU 62 -12.452 -8.469 -9.646 478 H LEU 63 H LEU 63 -8.454 -6.722 -6.538 479 HA LEU 63 HA LEU 63 -8.178 -8.496 -4.280 480 HB2 LEU 63 HB2 LEU 63 -6.363 -7.398 -5.419 481 HB3 LEU 63 HB3 LEU 63 -6.973 -5.797 -5.030 482 HG LEU 63 HG LEU 63 -6.356 -7.674 -2.736 483 HD11 LEU 63 HD11 LEU 63 -4.449 -7.972 -4.192 484 HD12 LEU 63 HD12 LEU 63 -3.967 -6.899 -2.864 485 HD13 LEU 63 HD13 LEU 63 -4.329 -6.233 -4.473 486 HD21 LEU 63 HD21 LEU 63 -5.583 -5.574 -1.683 487 HD22 LEU 63 HD22 LEU 63 -7.237 -5.374 -2.268 488 HD23 LEU 63 HD23 LEU 63 -5.888 -4.681 -3.192 489 H PHE 64 H PHE 64 -9.766 -5.413 -4.814 490 HA PHE 64 HA PHE 64 -10.092 -4.870 -1.976 491 HB2 PHE 64 HB2 PHE 64 -10.844 -2.892 -2.508 492 HB3 PHE 64 HB3 PHE 64 -10.173 -3.248 -4.075 493 HD1 PHE 64 HD2 PHE 64 -12.102 -4.679 -5.619 494 HD2 PHE 64 HD1 PHE 64 -12.796 -1.727 -2.563 495 HE1 PHE 64 HE2 PHE 64 -14.287 -4.108 -6.661 496 HE2 PHE 64 HE1 PHE 64 -14.916 -1.078 -3.655 497 HZ PHE 64 HZ PHE 64 -15.680 -2.285 -5.708 498 H GLU 65 H GLU 65 -12.278 -6.422 -4.340 499 HA GLU 65 HA GLU 65 -14.358 -6.805 -2.373 500 HB2 GLU 65 HB2 GLU 65 -15.530 -8.087 -3.929 501 HB3 GLU 65 HB3 GLU 65 -14.852 -6.707 -4.778 502 HG2 GLU 65 HG2 GLU 65 -13.342 -8.020 -6.000 503 HG3 GLU 65 HG3 GLU 65 -13.361 -9.345 -4.830 504 H GLN 66 H GLN 66 -11.367 -8.231 -2.393 505 HA GLN 66 HA GLN 66 -12.330 -10.663 -0.972 506 HB2 GLN 66 HB2 GLN 66 -9.565 -9.808 -1.921 507 HB3 GLN 66 HB3 GLN 66 -9.865 -11.247 -0.954 508 HG2 GLN 66 HG2 GLN 66 -11.146 -12.295 -2.697 509 HG3 GLN 66 HG3 GLN 66 -11.188 -10.814 -3.658 510 HE21 GLN 66 HE21 GLN 66 -9.449 -10.311 -4.985 511 HE22 GLN 66 HE22 GLN 66 -7.996 -11.326 -5.105 512 H TYR 67 H TYR 67 -11.278 -7.461 -0.256 513 HA TYR 67 HA TYR 67 -10.916 -8.230 2.622 514 HB2 TYR 67 HB2 TYR 67 -9.909 -5.815 1.116 515 HB3 TYR 67 HB3 TYR 67 -9.844 -6.008 2.862 516 HD1 TYR 67 HD2 TYR 67 -8.494 -7.946 3.872 517 HD2 TYR 67 HD1 TYR 67 -8.117 -6.645 -0.222 518 HE1 TYR 67 HE2 TYR 67 -6.160 -8.845 3.791 519 HE2 TYR 67 HE1 TYR 67 -5.789 -7.523 -0.287 520 HH TYR 67 HH TYR 67 -4.061 -8.310 0.942 521 H ASN 68 H ASN 68 -13.366 -8.458 2.067 522 HA ASN 68 HA ASN 68 -15.482 -7.807 2.304 523 HB2 ASN 68 HB2 ASN 68 -14.409 -7.564 4.594 524 HB3 ASN 68 HB3 ASN 68 -14.424 -5.822 4.315 525 HD21 ASN 68 HD21 ASN 68 -15.903 -5.334 5.958 526 HD22 ASN 68 HD22 ASN 68 -17.561 -5.960 5.945 527 H ARG 69 H ARG 69 -14.024 -6.212 0.193 528 HA ARG 69 HA ARG 69 -14.243 -4.394 -1.126 529 HB2 ARG 69 HB2 ARG 69 -16.263 -5.989 -1.413 530 HB3 ARG 69 HB3 ARG 69 -17.228 -4.679 -0.737 531 HG2 ARG 69 HG2 ARG 69 -16.548 -3.198 -2.580 532 HG3 ARG 69 HG3 ARG 69 -15.333 -4.376 -3.108 533 HD2 ARG 69 HD2 ARG 69 -17.221 -4.462 -4.604 534 HD3 ARG 69 HD3 ARG 69 -17.090 -5.983 -3.709 535 HE ARG 69 HE ARG 69 -18.865 -4.313 -2.286 536 HH11 ARG 69 HH11 ARG 69 -18.762 -5.975 -5.440 537 HH12 ARG 69 HH12 ARG 69 -20.500 -6.149 -5.527 538 HH21 ARG 69 HH21 ARG 69 -21.122 -4.574 -2.435 539 HH22 ARG 69 HH22 ARG 69 -21.832 -5.355 -3.830 540 H LEU 70 H LEU 70 -13.499 -3.385 1.245 541 HA LEU 70 HA LEU 70 -15.254 -1.176 2.009 542 HB2 LEU 70 HB2 LEU 70 -13.970 -2.384 3.656 543 HB3 LEU 70 HB3 LEU 70 -12.452 -1.940 2.874 544 HG LEU 70 HG LEU 70 -12.717 0.383 3.494 545 HD11 LEU 70 HD11 LEU 70 -15.446 -0.408 4.588 546 HD12 LEU 70 HD12 LEU 70 -15.135 0.767 3.302 547 HD13 LEU 70 HD13 LEU 70 -14.631 1.129 4.952 548 HD21 LEU 70 HD21 LEU 70 -12.621 0.195 5.904 549 HD22 LEU 70 HD22 LEU 70 -11.868 -1.237 5.175 550 HD23 LEU 70 HD23 LEU 70 -13.494 -1.350 5.866 551 H ALA 71 H ALA 71 -12.203 -1.442 0.170 552 HA ALA 71 HA ALA 71 -11.207 -0.172 -1.335 553 HB1 ALA 71 HB1 ALA 71 -13.378 1.932 -1.218 554 HB2 ALA 71 HB2 ALA 71 -12.161 1.682 -2.477 555 HB3 ALA 71 HB3 ALA 71 -13.443 0.484 -2.240 556 H MET 72 H MET 72 -9.895 1.790 -1.543 557 HA MET 72 HA MET 72 -9.223 3.071 1.065 558 HB2 MET 72 HB2 MET 72 -7.868 1.079 0.589 559 HB3 MET 72 HB3 MET 72 -7.375 1.757 -0.967 560 HG2 MET 72 HG2 MET 72 -6.105 3.503 0.163 561 HG3 MET 72 HG3 MET 72 -6.804 3.042 1.718 562 HE1 MET 72 HE1 MET 72 -5.280 0.756 -1.184 563 HE2 MET 72 HE2 MET 72 -4.028 2.015 -1.015 564 HE3 MET 72 HE3 MET 72 -3.697 0.358 -0.488 565 HA PRO 73 HA PRO 73 -8.678 6.662 -1.694 566 HB2 PRO 73 HB2 PRO 73 -8.266 8.605 0.090 567 HB3 PRO 73 HB3 PRO 73 -9.790 7.668 0.110 568 HG2 PRO 73 HG2 PRO 73 -7.319 7.255 1.815 569 HG3 PRO 73 HG3 PRO 73 -9.019 7.375 2.364 570 HD2 PRO 73 HD2 PRO 73 -7.718 4.979 1.887 571 HD3 PRO 73 HD3 PRO 73 -9.483 5.193 1.697 572 H ASN 74 H ASN 74 -7.144 8.530 -2.019 573 HA ASN 74 HA ASN 74 -4.263 7.820 -1.738 574 HB2 ASN 74 HB2 ASN 74 -4.857 8.361 -3.971 575 HB3 ASN 74 HB3 ASN 74 -5.854 9.721 -3.479 576 HD21 ASN 74 HD21 ASN 74 -2.587 8.724 -4.252 577 HD22 ASN 74 HD22 ASN 74 -1.916 10.343 -4.193 578 H MET 75 H MET 75 -2.830 9.085 -0.606 579 HA MET 75 HA MET 75 -3.963 11.026 1.355 580 HB2 MET 75 HB2 MET 75 -1.644 9.069 1.514 581 HB3 MET 75 HB3 MET 75 -1.848 10.397 2.652 582 HG2 MET 75 HG2 MET 75 -2.802 8.631 3.752 583 HG3 MET 75 HG3 MET 75 -4.164 9.567 3.155 584 HE1 MET 75 HE1 MET 75 -5.850 7.713 3.668 585 HE2 MET 75 HE2 MET 75 -5.619 5.998 3.263 586 HE3 MET 75 HE3 MET 75 -4.516 6.809 4.406 587 H ARG 76 H ARG 76 -2.962 11.677 -1.448 588 HA ARG 76 HA ARG 76 -1.776 13.253 -2.528 589 HB2 ARG 76 HB2 ARG 76 -2.147 14.805 0.054 590 HB3 ARG 76 HB3 ARG 76 -1.819 15.490 -1.543 591 HG2 ARG 76 HG2 ARG 76 -3.966 14.600 -2.394 592 HG3 ARG 76 HG3 ARG 76 -4.319 13.905 -0.796 593 HD2 ARG 76 HD2 ARG 76 -4.199 16.173 0.208 594 HD3 ARG 76 HD3 ARG 76 -3.927 16.867 -1.395 595 HE ARG 76 HE ARG 76 -6.412 15.605 -0.350 596 HH11 ARG 76 HH11 ARG 76 -4.874 17.395 -3.033 597 HH12 ARG 76 HH12 ARG 76 -6.410 17.779 -3.778 598 HH21 ARG 76 HH21 ARG 76 -8.355 16.116 -1.358 599 HH22 ARG 76 HH22 ARG 76 -8.375 17.059 -2.832 600 H LEU 77 H LEU 77 -0.071 11.351 -1.530 601 HA LEU 77 HA LEU 77 2.191 12.440 -0.119 602 HB2 LEU 77 HB2 LEU 77 1.974 9.922 -1.817 603 HB3 LEU 77 HB3 LEU 77 3.261 10.287 -0.671 604 HG LEU 77 HG LEU 77 0.334 9.788 0.029 605 HD11 LEU 77 HD11 LEU 77 2.857 8.149 0.520 606 HD12 LEU 77 HD12 LEU 77 1.559 7.775 -0.641 607 HD13 LEU 77 HD13 LEU 77 1.219 7.752 1.092 608 HD21 LEU 77 HD21 LEU 77 1.253 11.354 1.656 609 HD22 LEU 77 HD22 LEU 77 2.714 10.353 1.853 610 HD23 LEU 77 HD23 LEU 77 1.124 9.755 2.386 611 H GLY 78 H GLY 78 4.315 12.732 -0.824 612 HA2 GLY 78 HA2 GLY 78 4.719 13.590 -3.650 613 HA3 GLY 78 HA3 GLY 78 5.832 13.822 -2.308 614 H ASP 79 H ASP 79 6.623 12.847 -4.822 615 HA ASP 79 HA ASP 79 7.016 9.974 -4.794 616 HB2 ASP 79 HB2 ASP 79 8.647 12.122 -6.206 617 HB3 ASP 79 HB3 ASP 79 8.606 10.397 -6.592 618 H ALA 80 H ALA 80 8.668 12.625 -3.220 619 HA ALA 80 HA ALA 80 10.961 11.109 -2.273 620 HB1 ALA 80 HB1 ALA 80 10.935 13.570 -2.418 621 HB2 ALA 80 HB2 ALA 80 9.606 13.639 -1.233 622 HB3 ALA 80 HB3 ALA 80 11.205 13.038 -0.749 623 H GLU 81 H GLU 81 7.575 11.187 -1.330 624 HA GLU 81 HA GLU 81 8.139 10.096 1.381 625 HB2 GLU 81 HB2 GLU 81 5.535 10.985 0.086 626 HB3 GLU 81 HB3 GLU 81 5.703 10.346 1.721 627 HG2 GLU 81 HG2 GLU 81 7.251 12.209 2.291 628 HG3 GLU 81 HG3 GLU 81 7.018 12.891 0.672 629 H VAL 82 H VAL 82 6.332 9.162 -1.615 630 HA VAL 82 HA VAL 82 5.676 6.500 -0.734 631 HB VAL 82 HB VAL 82 6.174 7.521 -3.563 632 HG11 VAL 82 HG11 VAL 82 4.754 4.978 -2.609 633 HG12 VAL 82 HG12 VAL 82 4.763 5.588 -4.274 634 HG13 VAL 82 HG13 VAL 82 6.267 5.048 -3.541 635 HG21 VAL 82 HG21 VAL 82 3.605 7.166 -1.947 636 HG22 VAL 82 HG22 VAL 82 4.331 8.715 -2.438 637 HG23 VAL 82 HG23 VAL 82 3.691 7.623 -3.661 638 H SER 83 H SER 83 8.657 7.750 -2.404 639 HA SER 83 HA SER 83 9.922 5.190 -2.592 640 HB2 SER 83 HB2 SER 83 12.024 6.446 -2.860 641 HB3 SER 83 HB3 SER 83 10.722 7.035 -3.906 642 HG SER 83 HG SER 83 10.642 8.848 -2.869 643 H ALA 84 H ALA 84 10.088 7.619 0.079 644 HA ALA 84 HA ALA 84 11.885 6.079 1.709 645 HB1 ALA 84 HB1 ALA 84 11.066 7.588 3.513 646 HB2 ALA 84 HB2 ALA 84 11.529 8.470 2.043 647 HB3 ALA 84 HB3 ALA 84 9.813 8.200 2.416 648 H LEU 85 H LEU 85 8.320 6.172 1.531 649 HA LEU 85 HA LEU 85 7.773 4.280 3.597 650 HB2 LEU 85 HB2 LEU 85 6.270 5.966 2.555 651 HB3 LEU 85 HB3 LEU 85 6.258 5.034 1.064 652 HG LEU 85 HG LEU 85 5.048 3.206 2.188 653 HD11 LEU 85 HD11 LEU 85 5.170 5.042 4.623 654 HD12 LEU 85 HD12 LEU 85 5.834 3.400 4.495 655 HD13 LEU 85 HD13 LEU 85 4.081 3.654 4.464 656 HD21 LEU 85 HD21 LEU 85 2.949 4.550 2.591 657 HD22 LEU 85 HD22 LEU 85 3.796 5.005 1.101 658 HD23 LEU 85 HD23 LEU 85 3.915 6.021 2.554 659 H ILE 86 H ILE 86 8.593 3.838 0.190 660 HA ILE 86 HA ILE 86 8.164 0.941 0.081 661 HB ILE 86 HB ILE 86 9.049 3.092 -1.767 662 HG12 ILE 86 HG12 ILE 86 7.729 1.830 -3.357 663 HG13 ILE 86 HG13 ILE 86 7.643 0.442 -2.269 664 HG21 ILE 86 HG21 ILE 86 10.142 0.283 -2.164 665 HG22 ILE 86 HG22 ILE 86 10.062 1.548 -3.404 666 HG23 ILE 86 HG23 ILE 86 11.077 1.796 -1.996 667 HD11 ILE 86 HD11 ILE 86 6.216 1.780 -0.709 668 HD12 ILE 86 HD12 ILE 86 6.296 3.139 -1.854 669 HD13 ILE 86 HD13 ILE 86 5.526 1.620 -2.327 670 H SER 87 H SER 87 11.017 3.100 0.536 671 HA SER 87 HA SER 87 12.978 1.085 0.905 672 HB2 SER 87 HB2 SER 87 12.624 3.870 2.055 673 HB3 SER 87 HB3 SER 87 14.016 2.869 2.461 674 HG SER 87 HG SER 87 14.057 4.404 0.573 675 H TYR 88 H TYR 88 10.616 2.415 3.287 676 HA TYR 88 HA TYR 88 11.617 0.714 5.437 677 HB2 TYR 88 HB2 TYR 88 10.396 2.628 6.087 678 HB3 TYR 88 HB3 TYR 88 9.041 2.244 5.023 679 HD1 TYR 88 HD1 TYR 88 10.938 0.292 7.647 680 HD2 TYR 88 HD2 TYR 88 7.113 1.740 6.268 681 HE1 TYR 88 HE1 TYR 88 9.800 -1.061 9.379 682 HE2 TYR 88 HE2 TYR 88 5.977 0.405 8.053 683 HH TYR 88 HH TYR 88 7.817 -1.890 10.090 684 H LEU 89 H LEU 89 8.828 0.352 3.188 685 HA LEU 89 HA LEU 89 8.025 -2.197 4.197 686 HB2 LEU 89 HB2 LEU 89 7.569 -0.783 1.545 687 HB3 LEU 89 HB3 LEU 89 6.774 -2.294 1.972 688 HG LEU 89 HG LEU 89 6.473 0.207 3.686 689 HD11 LEU 89 HD11 LEU 89 5.623 0.650 1.412 690 HD12 LEU 89 HD12 LEU 89 4.301 0.513 2.575 691 HD13 LEU 89 HD13 LEU 89 4.657 -0.841 1.469 692 HD21 LEU 89 HD21 LEU 89 5.928 -1.886 4.818 693 HD22 LEU 89 HD22 LEU 89 4.871 -2.366 3.470 694 HD23 LEU 89 HD23 LEU 89 4.465 -0.957 4.486 695 H GLU 90 H GLU 90 10.573 -1.448 1.893 696 HA GLU 90 HA GLU 90 11.042 -4.215 1.114 697 HB2 GLU 90 HB2 GLU 90 11.733 -2.303 -0.258 698 HB3 GLU 90 HB3 GLU 90 12.824 -1.744 1.012 699 HG2 GLU 90 HG2 GLU 90 14.226 -3.723 0.744 700 HG3 GLU 90 HG3 GLU 90 13.056 -4.449 -0.365 701 H GLU 91 H GLU 91 12.833 -2.020 3.413 702 HA GLU 91 HA GLU 91 14.418 -4.290 4.254 703 HB2 GLU 91 HB2 GLU 91 14.439 -1.367 4.970 704 HB3 GLU 91 HB3 GLU 91 15.384 -2.540 5.910 705 HG2 GLU 91 HG2 GLU 91 16.492 -3.366 3.898 706 HG3 GLU 91 HG3 GLU 91 15.505 -2.307 2.886 707 H GLU 92 H GLU 92 11.413 -3.100 5.579 708 HA GLU 92 HA GLU 92 11.652 -4.402 8.150 709 HB2 GLU 92 HB2 GLU 92 9.825 -2.834 7.447 710 HB3 GLU 92 HB3 GLU 92 9.209 -4.078 6.364 711 HG2 GLU 92 HG2 GLU 92 7.853 -4.091 8.319 712 HG3 GLU 92 HG3 GLU 92 8.816 -5.557 8.370 713 H THR 93 H THR 93 11.158 -5.747 4.894 714 HA THR 93 HA THR 93 10.579 -8.458 5.915 715 HB THR 93 HB THR 93 10.656 -9.234 3.685 716 HG1 THR 93 HG1 THR 93 11.778 -6.730 2.911 717 HG21 THR 93 HG21 THR 93 9.633 -6.395 3.480 718 HG22 THR 93 HG22 THR 93 8.717 -7.741 4.219 719 HG23 THR 93 HG23 THR 93 9.133 -7.789 2.490 720 H ALA 94 H ALA 94 13.360 -6.702 4.708 721 HA ALA 94 HA ALA 94 15.230 -8.882 4.823 722 HB1 ALA 94 HB1 ALA 94 15.598 -6.757 3.568 723 HB2 ALA 94 HB2 ALA 94 15.817 -5.906 5.116 724 HB3 ALA 94 HB3 ALA 94 16.951 -7.175 4.634 725 H ARG 95 H ARG 95 14.417 -6.399 7.276 726 HA ARG 95 HA ARG 95 16.228 -7.548 9.255 727 HB2 ARG 95 HB2 ARG 95 14.177 -5.319 9.404 728 HB3 ARG 95 HB3 ARG 95 15.252 -5.745 10.729 729 HG2 ARG 95 HG2 ARG 95 16.337 -4.906 8.000 730 HG3 ARG 95 HG3 ARG 95 15.871 -3.754 9.240 731 HD2 ARG 95 HD2 ARG 95 18.205 -4.015 9.426 732 HD3 ARG 95 HD3 ARG 95 17.488 -4.798 10.830 733 HE ARG 95 HE ARG 95 18.656 -6.148 8.421 734 HH11 ARG 95 HH11 ARG 95 17.753 -6.374 11.874 735 HH12 ARG 95 HH12 ARG 95 18.519 -7.935 12.066 736 HH21 ARG 95 HH21 ARG 95 19.635 -8.150 8.734 737 HH22 ARG 95 HH22 ARG 95 19.595 -8.927 10.300 738 H LEU 96 H LEU 96 12.666 -7.429 8.910 739 HA LEU 96 HA LEU 96 11.009 -8.411 9.989 740 HB2 LEU 96 HB2 LEU 96 12.658 -10.355 9.036 741 HB3 LEU 96 HB3 LEU 96 12.520 -10.881 10.667 742 HG LEU 96 HG LEU 96 11.011 -12.085 9.340 743 HD11 LEU 96 HD11 LEU 96 10.147 -11.372 11.500 744 HD12 LEU 96 HD12 LEU 96 8.846 -11.559 10.302 745 HD13 LEU 96 HD13 LEU 96 9.428 -9.930 10.737 746 HD21 LEU 96 HD21 LEU 96 10.986 -10.593 7.454 747 HD22 LEU 96 HD22 LEU 96 10.001 -9.411 8.336 748 HD23 LEU 96 HD23 LEU 96 9.320 -11.009 7.919 749 H GLN 97 H GLN 97 12.565 -6.677 11.690 750 HA GLN 97 HA GLN 97 11.998 -7.831 14.414 751 HB2 GLN 97 HB2 GLN 97 14.148 -5.884 13.518 752 HB3 GLN 97 HB3 GLN 97 13.780 -6.231 15.203 753 HG2 GLN 97 HG2 GLN 97 14.776 -8.276 13.196 754 HG3 GLN 97 HG3 GLN 97 15.754 -7.470 14.406 755 HE21 GLN 97 HE21 GLN 97 14.434 -10.378 13.829 756 HE22 GLN 97 HE22 GLN 97 14.084 -10.853 15.501 757 H THR 98 H THR 98 11.016 -5.275 12.295 758 HA THR 98 HA THR 98 9.923 -3.389 12.479 759 HB THR 98 HB THR 98 8.307 -2.973 13.908 760 HG1 THR 98 HG1 THR 98 9.723 -4.650 15.635 761 HG21 THR 98 HG21 THR 98 8.456 -5.994 13.780 762 HG22 THR 98 HG22 THR 98 7.873 -4.914 12.490 763 HG23 THR 98 HG23 THR 98 7.010 -5.013 14.033 764 HA PRO 99 HA PRO 99 12.548 -0.357 14.556 765 HB2 PRO 99 HB2 PRO 99 11.101 1.587 12.803 766 HB3 PRO 99 HB3 PRO 99 12.857 1.319 12.991 767 HG2 PRO 99 HG2 PRO 99 11.517 0.512 10.760 768 HG3 PRO 99 HG3 PRO 99 12.804 -0.516 11.476 769 HD2 PRO 99 HD2 PRO 99 9.800 -0.705 11.937 770 HD3 PRO 99 HD3 PRO 99 10.937 -1.975 11.413 771 H VAL 100 H VAL 100 10.136 -1.376 15.729 772 HA VAL 100 HA VAL 100 8.519 0.966 16.641 773 HB VAL 100 HB VAL 100 7.629 -1.637 15.326 774 HG11 VAL 100 HG11 VAL 100 5.297 -0.897 15.671 775 HG12 VAL 100 HG12 VAL 100 6.088 -1.162 17.226 776 HG13 VAL 100 HG13 VAL 100 5.858 0.492 16.606 777 HG21 VAL 100 HG21 VAL 100 7.164 1.268 14.569 778 HG22 VAL 100 HG22 VAL 100 8.199 0.104 13.716 779 HG23 VAL 100 HG23 VAL 100 6.454 -0.140 13.743 780 H THR 101 H THR 101 8.213 0.911 18.782 781 HA THR 101 HA THR 101 8.425 -1.646 20.321 782 HB THR 101 HB THR 101 9.828 -0.303 22.032 783 HG1 THR 101 HG1 THR 101 10.523 1.540 21.427 784 HG21 THR 101 HG21 THR 101 10.750 -2.227 20.909 785 HG22 THR 101 HG22 THR 101 11.960 -0.936 20.940 786 HG23 THR 101 HG23 THR 101 11.065 -1.284 19.442 787 H ASN 102 H ASN 102 8.064 1.894 20.845 788 HA ASN 102 HA ASN 102 5.331 1.532 21.693 789 HB2 ASN 102 HB2 ASN 102 6.733 0.910 23.771 790 HB3 ASN 102 HB3 ASN 102 7.291 2.576 23.783 791 HD21 ASN 102 HD21 ASN 102 6.310 2.999 25.800 792 HD22 ASN 102 HD22 ASN 102 4.548 3.033 25.991 793 H ARG 103 H ARG 103 4.172 3.498 21.865 794 HA ARG 103 HA ARG 103 5.452 6.102 21.583 795 HB2 ARG 103 HB2 ARG 103 5.528 5.131 19.232 796 HB3 ARG 103 HB3 ARG 103 3.776 5.056 19.263 797 HG2 ARG 103 HG2 ARG 103 4.478 6.990 18.029 798 HG3 ARG 103 HG3 ARG 103 3.703 7.555 19.513 799 HD2 ARG 103 HD2 ARG 103 5.872 8.068 20.512 800 HD3 ARG 103 HD3 ARG 103 6.720 7.234 19.205 801 HE ARG 103 HE ARG 103 6.421 9.021 17.785 802 HH11 ARG 103 HH11 ARG 103 4.553 9.677 20.759 803 HH12 ARG 103 HH12 ARG 103 4.290 11.352 20.334 804 HH21 ARG 103 HH21 ARG 103 6.067 11.181 17.295 805 HH22 ARG 103 HH22 ARG 103 5.151 12.207 18.375 806 H GLY 104 H GLY 104 4.124 7.618 22.568 807 HA2 GLY 104 HA2 GLY 104 1.440 6.701 23.444 808 HA3 GLY 104 HA3 GLY 104 2.410 7.977 24.166 809 H ILE 105 H ILE 105 -0.404 8.069 23.406 810 HA ILE 105 HA ILE 105 -0.319 10.616 22.021 811 HB ILE 105 HB ILE 105 -0.389 9.075 20.136 812 HG12 ILE 105 HG12 ILE 105 -2.932 10.717 20.393 813 HG13 ILE 105 HG13 ILE 105 -1.329 11.380 20.062 814 HG21 ILE 105 HG21 ILE 105 -2.244 7.685 19.581 815 HG22 ILE 105 HG22 ILE 105 -1.770 7.254 21.225 816 HG23 ILE 105 HG23 ILE 105 -3.195 8.280 20.946 817 HD11 ILE 105 HD11 ILE 105 -2.545 11.181 17.983 818 HD12 ILE 105 HD12 ILE 105 -1.212 10.010 17.972 819 HD13 ILE 105 HD13 ILE 105 -2.885 9.470 18.268 820 HA PRO 106 HA PRO 106 -3.843 11.161 24.839 821 HB2 PRO 106 HB2 PRO 106 -3.917 13.834 23.461 822 HB3 PRO 106 HB3 PRO 106 -4.007 13.457 25.206 823 HG2 PRO 106 HG2 PRO 106 -1.717 14.414 24.098 824 HG3 PRO 106 HG3 PRO 106 -1.658 13.113 25.336 825 HD2 PRO 106 HD2 PRO 106 -1.463 12.854 22.322 826 HD3 PRO 106 HD3 PRO 106 -0.488 12.079 23.606 827 HHA HEC 107 HHA HEC 107 -5.322 -3.563 0.977 828 HHB HEC 107 HHB HEC 107 -0.028 0.111 1.322 829 HHC HEC 107 HHC HEC 107 -3.443 4.599 4.549 830 HHD HEC 107 HHD HEC 107 -8.351 0.458 4.985 831 HMA1 HEC 107 HMA1 HEC 107 0.589 -2.109 0.779 832 HMA2 HEC 107 HMA2 HEC 107 -0.133 -3.423 -0.143 833 HMA3 HEC 107 HMA3 HEC 107 -0.096 -1.791 -0.835 834 HAA1 HEC 107 HAA1 HEC 107 -3.852 -4.192 -0.640 835 HAA2 HEC 107 HAA2 HEC 107 -2.192 -3.979 -1.142 836 HBA1 HEC 107 HBA1 HEC 107 -1.452 -5.245 0.917 837 HBA2 HEC 107 HBA2 HEC 107 -3.155 -5.573 1.263 838 HMB1 HEC 107 HMB1 HEC 107 1.002 3.461 1.338 839 HMB2 HEC 107 HMB2 HEC 107 1.498 2.936 2.956 840 HMB3 HEC 107 HMB3 HEC 107 1.306 1.763 1.680 841 HAB HEC 107 HAB HEC 107 -1.610 5.382 4.136 842 HBB1 HEC 107 HBB1 HEC 107 -0.342 6.823 2.832 843 HBB2 HEC 107 HBB2 HEC 107 0.464 5.507 1.976 844 HBB3 HEC 107 HBB3 HEC 107 -1.273 5.798 1.728 845 HMC1 HEC 107 HMC1 HEC 107 -4.494 5.016 6.503 846 HMC2 HEC 107 HMC2 HEC 107 -6.062 5.603 5.914 847 HMC3 HEC 107 HMC3 HEC 107 -5.959 4.602 7.371 848 HAC HEC 107 HAC HEC 107 -8.800 2.104 6.095 849 HBC1 HEC 107 HBC1 HEC 107 -9.760 4.125 6.743 850 HBC2 HEC 107 HBC2 HEC 107 -8.210 4.959 6.820 851 HBC3 HEC 107 HBC3 HEC 107 -8.856 4.429 5.248 852 HMD1 HEC 107 HMD1 HEC 107 -9.433 -2.407 4.753 853 HMD2 HEC 107 HMD2 HEC 107 -9.863 -0.837 4.023 854 HMD3 HEC 107 HMD3 HEC 107 -10.049 -2.301 3.091 855 HAD1 HEC 107 HAD1 HEC 107 -7.331 -4.515 1.727 856 HAD2 HEC 107 HAD2 HEC 107 -8.917 -3.953 2.202 857 HBD1 HEC 107 HBD1 HEC 107 -7.455 -3.022 -0.301 858 HBD2 HEC 107 HBD2 HEC 107 -8.726 -4.239 -0.249 Start of MODEL 14 1 H SER 1 H SER 1 12.748 9.085 8.132 2 HA SER 1 HA SER 1 10.219 10.011 6.975 3 HB2 SER 1 HB2 SER 1 13.027 9.764 5.836 4 HB3 SER 1 HB3 SER 1 11.641 10.523 5.017 5 HG SER 1 HG SER 1 11.540 12.073 6.579 6 H GLY 2 H GLY 2 9.277 7.942 7.454 7 HA2 GLY 2 HA2 GLY 2 8.558 6.157 5.422 8 HA3 GLY 2 HA3 GLY 2 10.031 5.525 6.107 9 H GLU 3 H GLU 3 10.135 5.296 8.560 10 HA GLU 3 HA GLU 3 7.899 3.664 9.355 11 HB2 GLU 3 HB2 GLU 3 10.175 3.104 9.993 12 HB3 GLU 3 HB3 GLU 3 10.333 4.601 10.930 13 HG2 GLU 3 HG2 GLU 3 8.644 3.879 12.515 14 HG3 GLU 3 HG3 GLU 3 8.200 2.507 11.494 15 H GLN 4 H GLN 4 9.059 6.821 10.734 16 HA GLN 4 HA GLN 4 6.831 6.999 12.573 17 HB2 GLN 4 HB2 GLN 4 8.604 9.172 11.421 18 HB3 GLN 4 HB3 GLN 4 7.447 9.425 12.713 19 HG2 GLN 4 HG2 GLN 4 9.819 7.511 12.880 20 HG3 GLN 4 HG3 GLN 4 9.826 9.168 13.467 21 HE21 GLN 4 HE21 GLN 4 10.481 7.186 15.202 22 HE22 GLN 4 HE22 GLN 4 9.180 6.914 16.352 23 H ILE 5 H ILE 5 7.247 7.884 9.190 24 HA ILE 5 HA ILE 5 4.772 9.338 8.852 25 HB ILE 5 HB ILE 5 6.585 7.794 6.894 26 HG12 ILE 5 HG12 ILE 5 6.108 10.764 7.451 27 HG13 ILE 5 HG13 ILE 5 7.542 9.829 7.867 28 HG21 ILE 5 HG21 ILE 5 5.246 8.828 5.067 29 HG22 ILE 5 HG22 ILE 5 4.232 7.771 6.030 30 HG23 ILE 5 HG23 ILE 5 4.132 9.526 6.262 31 HD11 ILE 5 HD11 ILE 5 8.094 11.111 5.943 32 HD12 ILE 5 HD12 ILE 5 7.917 9.436 5.381 33 HD13 ILE 5 HD13 ILE 5 6.632 10.633 5.078 34 H PHE 6 H PHE 6 5.502 5.784 8.417 35 HA PHE 6 HA PHE 6 2.762 5.126 7.919 36 HB2 PHE 6 HB2 PHE 6 4.748 3.666 7.459 37 HB3 PHE 6 HB3 PHE 6 4.898 3.369 9.183 38 HD1 PHE 6 HD1 PHE 6 3.030 2.123 10.410 39 HD2 PHE 6 HD2 PHE 6 3.116 2.515 6.122 40 HE1 PHE 6 HE1 PHE 6 1.425 0.256 10.212 41 HE2 PHE 6 HE2 PHE 6 1.502 0.637 5.919 42 HZ PHE 6 HZ PHE 6 0.657 -0.505 7.970 43 H ARG 7 H ARG 7 4.620 5.169 10.973 44 HA ARG 7 HA ARG 7 2.640 4.215 12.709 45 HB2 ARG 7 HB2 ARG 7 5.148 4.624 13.077 46 HB3 ARG 7 HB3 ARG 7 4.732 6.303 13.413 47 HG2 ARG 7 HG2 ARG 7 5.002 5.127 15.482 48 HG3 ARG 7 HG3 ARG 7 3.282 5.500 15.319 49 HD2 ARG 7 HD2 ARG 7 2.786 3.201 14.676 50 HD3 ARG 7 HD3 ARG 7 4.512 2.831 14.515 51 HE ARG 7 HE ARG 7 3.380 3.654 17.147 52 HH11 ARG 7 HH11 ARG 7 4.979 1.110 15.209 53 HH12 ARG 7 HH12 ARG 7 5.349 0.138 16.615 54 HH21 ARG 7 HH21 ARG 7 3.890 2.357 18.927 55 HH22 ARG 7 HH22 ARG 7 4.735 0.840 18.708 56 H THR 8 H THR 8 3.113 7.514 11.520 57 HA THR 8 HA THR 8 0.964 8.616 13.211 58 HB THR 8 HB THR 8 1.496 10.769 11.993 59 HG1 THR 8 HG1 THR 8 3.806 9.427 11.138 60 HG21 THR 8 HG21 THR 8 3.834 9.418 13.392 61 HG22 THR 8 HG22 THR 8 2.452 10.167 14.202 62 HG23 THR 8 HG23 THR 8 3.542 11.168 13.229 63 H ARG 9 H ARG 9 1.361 7.918 9.734 64 HA ARG 9 HA ARG 9 -1.352 9.041 9.252 65 HB2 ARG 9 HB2 ARG 9 0.794 8.293 7.248 66 HB3 ARG 9 HB3 ARG 9 -0.684 9.212 6.946 67 HG2 ARG 9 HG2 ARG 9 0.154 11.011 8.494 68 HG3 ARG 9 HG3 ARG 9 1.665 10.093 8.674 69 HD2 ARG 9 HD2 ARG 9 1.883 10.164 6.139 70 HD3 ARG 9 HD3 ARG 9 0.565 11.352 6.146 71 HE ARG 9 HE ARG 9 2.547 12.161 8.019 72 HH11 ARG 9 HH11 ARG 9 2.150 11.846 4.496 73 HH12 ARG 9 HH12 ARG 9 3.362 13.057 4.142 74 HH21 ARG 9 HH21 ARG 9 4.136 13.726 7.510 75 HH22 ARG 9 HH22 ARG 9 4.482 14.114 5.840 76 H CYS 10 H CYS 10 0.105 5.907 9.414 77 HA CYS 10 HA CYS 10 -2.008 4.738 7.637 78 HB2 CYS 10 HB2 CYS 10 0.868 3.868 7.916 79 HB3 CYS 10 HB3 CYS 10 -0.302 3.270 6.757 80 H SER 11 H SER 11 -0.403 4.268 10.730 81 HA SER 11 HA SER 11 -0.590 1.467 10.880 82 HB2 SER 11 HB2 SER 11 -0.229 3.698 12.852 83 HB3 SER 11 HB3 SER 11 -0.620 2.098 13.474 84 HG SER 11 HG SER 11 1.397 1.764 13.284 85 H SER 12 H SER 12 -3.237 3.738 11.490 86 HA SER 12 HA SER 12 -4.608 2.200 13.401 87 HB2 SER 12 HB2 SER 12 -6.545 3.662 12.928 88 HB3 SER 12 HB3 SER 12 -5.029 4.538 13.172 89 HG SER 12 HG SER 12 -4.872 4.959 11.059 90 H CYS 13 H CYS 13 -4.406 1.265 10.187 91 HA CYS 13 HA CYS 13 -6.818 -0.519 10.442 92 HB2 CYS 13 HB2 CYS 13 -5.837 0.851 7.946 93 HB3 CYS 13 HB3 CYS 13 -7.263 -0.179 8.079 94 H HIS 14 H HIS 14 -3.472 -0.657 10.166 95 HA HIS 14 HA HIS 14 -3.554 -3.420 9.499 96 HB2 HIS 14 2HB HIS 14 -1.812 -3.090 7.484 97 HB3 HIS 14 3HB HIS 14 -3.539 -3.255 7.277 98 HD1 HIS 14 1HD HIS 14 -1.862 0.129 8.159 99 HD2 HIS 14 2HD HIS 14 -3.827 -2.013 5.135 100 HE1 HIS 14 1HE HIS 14 -2.307 1.804 6.343 101 H THR 15 H THR 15 -1.322 -4.296 9.124 102 HA THR 15 HA THR 15 0.668 -3.137 11.022 103 HB THR 15 HB THR 15 -0.896 -4.755 12.141 104 HG1 THR 15 HG1 THR 15 0.653 -5.386 13.322 105 HG21 THR 15 HG21 THR 15 -1.111 -6.368 10.198 106 HG22 THR 15 HG22 THR 15 -0.760 -7.100 11.760 107 HG23 THR 15 HG23 THR 15 0.539 -6.912 10.560 108 H VAL 16 H VAL 16 2.847 -4.137 10.764 109 HA VAL 16 HA VAL 16 3.265 -5.296 8.032 110 HB VAL 16 HB VAL 16 5.153 -3.195 9.131 111 HG11 VAL 16 HG11 VAL 16 4.683 -4.365 6.338 112 HG12 VAL 16 HG12 VAL 16 5.898 -3.146 6.780 113 HG13 VAL 16 HG13 VAL 16 6.022 -4.789 7.417 114 HG21 VAL 16 HG21 VAL 16 3.166 -1.939 8.846 115 HG22 VAL 16 HG22 VAL 16 4.079 -1.697 7.354 116 HG23 VAL 16 HG23 VAL 16 2.695 -2.819 7.392 117 H GLY 17 H GLY 17 3.115 -7.183 9.248 118 HA2 GLY 17 HA2 GLY 17 4.464 -9.064 9.859 119 HA3 GLY 17 HA3 GLY 17 5.671 -8.005 10.591 120 H ASN 18 H ASN 18 2.143 -8.561 10.938 121 HA ASN 18 HA ASN 18 2.522 -9.903 13.464 122 HB2 ASN 18 HB2 ASN 18 2.263 -7.353 14.017 123 HB3 ASN 18 HB3 ASN 18 0.596 -7.555 13.500 124 HD21 ASN 18 HD21 ASN 18 2.827 -7.995 16.110 125 HD22 ASN 18 HD22 ASN 18 1.687 -8.807 17.174 126 H THR 19 H THR 19 0.645 -11.272 13.923 127 HA THR 19 HA THR 19 -1.843 -10.827 12.457 128 HB THR 19 HB THR 19 -0.241 -13.358 11.960 129 HG1 THR 19 HG1 THR 19 -0.428 -11.159 10.716 130 HG21 THR 19 HG21 THR 19 -2.227 -14.136 10.657 131 HG22 THR 19 HG22 THR 19 -3.186 -12.809 11.358 132 HG23 THR 19 HG23 THR 19 -2.541 -14.103 12.393 133 H GLU 20 H GLU 20 -3.085 -10.647 14.137 134 HA GLU 20 HA GLU 20 -3.061 -12.469 16.434 135 HB2 GLU 20 HB2 GLU 20 -4.784 -10.108 15.584 136 HB3 GLU 20 HB3 GLU 20 -5.144 -11.068 17.019 137 HG2 GLU 20 HG2 GLU 20 -2.877 -10.609 17.917 138 HG3 GLU 20 HG3 GLU 20 -2.535 -9.576 16.531 139 HA PRO 21 HA PRO 21 -6.135 -15.429 15.204 140 HB2 PRO 21 HB2 PRO 21 -7.803 -14.622 17.581 141 HB3 PRO 21 HB3 PRO 21 -7.331 -16.258 17.029 142 HG2 PRO 21 HG2 PRO 21 -6.024 -15.101 19.097 143 HG3 PRO 21 HG3 PRO 21 -5.089 -15.956 17.826 144 HD2 PRO 21 HD2 PRO 21 -5.602 -12.984 18.110 145 HD3 PRO 21 HD3 PRO 21 -4.063 -13.831 17.780 146 H GLY 22 H GLY 22 -7.753 -15.402 13.721 147 HA2 GLY 22 HA2 GLY 22 -9.617 -14.699 12.504 148 HA3 GLY 22 HA3 GLY 22 -9.936 -13.432 13.691 149 H GLN 23 H GLN 23 -6.706 -13.397 12.596 150 HA GLN 23 HA GLN 23 -5.426 -12.021 11.413 151 HB2 GLN 23 HB2 GLN 23 -7.723 -11.871 9.427 152 HB3 GLN 23 HB3 GLN 23 -6.046 -11.449 9.114 153 HG2 GLN 23 HG2 GLN 23 -5.372 -13.805 9.684 154 HG3 GLN 23 HG3 GLN 23 -7.083 -14.228 9.784 155 HE21 GLN 23 HE21 GLN 23 -4.406 -13.635 7.610 156 HE22 GLN 23 HE22 GLN 23 -5.330 -13.956 6.150 157 HA PRO 24 HA PRO 24 -5.866 -7.868 12.613 158 HB2 PRO 24 HB2 PRO 24 -5.348 -6.791 9.852 159 HB3 PRO 24 HB3 PRO 24 -4.581 -6.338 11.404 160 HG2 PRO 24 HG2 PRO 24 -3.280 -7.970 9.679 161 HG3 PRO 24 HG3 PRO 24 -3.277 -8.347 11.431 162 HD2 PRO 24 HD2 PRO 24 -5.031 -9.504 9.260 163 HD3 PRO 24 HD3 PRO 24 -4.136 -10.367 10.551 164 H GLY 25 H GLY 25 -7.327 -6.102 12.803 165 HA2 GLY 25 HA2 GLY 25 -9.908 -7.087 12.538 166 HA3 GLY 25 HA3 GLY 25 -9.489 -5.472 13.096 167 H ILE 26 H ILE 26 -8.395 -4.994 10.206 168 HA ILE 26 HA ILE 26 -11.020 -4.550 8.821 169 HB ILE 26 HB ILE 26 -8.810 -2.476 8.887 170 HG12 ILE 26 HG12 ILE 26 -11.269 -2.620 10.679 171 HG13 ILE 26 HG13 ILE 26 -9.581 -2.698 11.197 172 HG21 ILE 26 HG21 ILE 26 -10.485 -2.446 6.972 173 HG22 ILE 26 HG22 ILE 26 -11.774 -2.245 8.161 174 HG23 ILE 26 HG23 ILE 26 -10.532 -0.995 7.955 175 HD11 ILE 26 HD11 ILE 26 -9.249 -0.372 10.323 176 HD12 ILE 26 HD12 ILE 26 -11.015 -0.288 10.075 177 HD13 ILE 26 HD13 ILE 26 -10.358 -0.527 11.701 178 H GLY 27 H GLY 27 -7.466 -4.862 8.499 179 HA2 GLY 27 HA2 GLY 27 -7.800 -5.467 5.572 180 HA3 GLY 27 HA3 GLY 27 -6.629 -4.296 6.169 181 HA PRO 28 HA PRO 28 -4.510 -8.389 5.872 182 HB2 PRO 28 HB2 PRO 28 -2.664 -7.831 3.948 183 HB3 PRO 28 HB3 PRO 28 -4.342 -8.299 3.586 184 HG2 PRO 28 HG2 PRO 28 -3.149 -5.521 3.653 185 HG3 PRO 28 HG3 PRO 28 -4.245 -6.224 2.424 186 HD2 PRO 28 HD2 PRO 28 -5.092 -4.603 4.494 187 HD3 PRO 28 HD3 PRO 28 -6.115 -5.876 3.767 188 H ASP 29 H ASP 29 -2.451 -9.017 6.587 189 HA ASP 29 HA ASP 29 -0.620 -7.079 7.853 190 HB2 ASP 29 HB2 ASP 29 -0.706 -9.301 8.789 191 HB3 ASP 29 HB3 ASP 29 -0.427 -10.040 7.215 192 H LEU 30 H LEU 30 1.018 -6.072 6.870 193 HA LEU 30 HA LEU 30 1.189 -6.281 3.916 194 HB2 LEU 30 HB2 LEU 30 2.453 -4.179 5.667 195 HB3 LEU 30 HB3 LEU 30 2.135 -4.103 3.939 196 HG LEU 30 HG LEU 30 0.090 -4.023 6.194 197 HD11 LEU 30 HD11 LEU 30 1.363 -1.925 5.799 198 HD12 LEU 30 HD12 LEU 30 -0.348 -1.750 5.385 199 HD13 LEU 30 HD13 LEU 30 0.867 -1.948 4.095 200 HD21 LEU 30 HD21 LEU 30 -0.894 -5.197 4.254 201 HD22 LEU 30 HD22 LEU 30 -0.380 -3.878 3.180 202 HD23 LEU 30 HD23 LEU 30 -1.609 -3.600 4.445 203 H LEU 31 H LEU 31 3.023 -7.560 6.534 204 HA LEU 31 HA LEU 31 5.658 -7.250 5.372 205 HB2 LEU 31 HB2 LEU 31 5.314 -7.886 7.633 206 HB3 LEU 31 HB3 LEU 31 4.665 -9.465 7.153 207 HG LEU 31 HG LEU 31 7.329 -8.664 6.007 208 HD11 LEU 31 HD11 LEU 31 8.553 -9.265 8.028 209 HD12 LEU 31 HD12 LEU 31 7.011 -9.417 8.914 210 HD13 LEU 31 HD13 LEU 31 7.525 -7.834 8.264 211 HD21 LEU 31 HD21 LEU 31 6.354 -11.243 7.293 212 HD22 LEU 31 HD22 LEU 31 7.894 -11.012 6.439 213 HD23 LEU 31 HD23 LEU 31 6.364 -10.903 5.554 214 H GLY 32 H GLY 32 6.678 -8.286 3.866 215 HA2 GLY 32 HA2 GLY 32 7.149 -9.744 2.079 216 HA3 GLY 32 HA3 GLY 32 5.899 -10.823 2.685 217 H VAL 33 H VAL 33 4.164 -8.023 2.248 218 HA VAL 33 HA VAL 33 2.833 -9.006 -0.029 219 HB VAL 33 HB VAL 33 1.975 -7.363 1.684 220 HG11 VAL 33 HG11 VAL 33 3.114 -5.230 -0.171 221 HG12 VAL 33 HG12 VAL 33 2.204 -5.005 1.335 222 HG13 VAL 33 HG13 VAL 33 3.849 -5.661 1.371 223 HG21 VAL 33 HG21 VAL 33 0.703 -8.012 -0.325 224 HG22 VAL 33 HG22 VAL 33 0.425 -6.324 0.132 225 HG23 VAL 33 HG23 VAL 33 1.467 -6.695 -1.245 226 H THR 34 H THR 34 5.596 -6.856 0.097 227 HA THR 34 HA THR 34 5.630 -6.051 -2.660 228 HB THR 34 HB THR 34 6.800 -4.924 -0.752 229 HG1 THR 34 HG1 THR 34 7.345 -4.377 -2.816 230 HG21 THR 34 HG21 THR 34 7.846 -6.880 0.344 231 HG22 THR 34 HG22 THR 34 9.034 -5.649 -0.114 232 HG23 THR 34 HG23 THR 34 8.879 -7.125 -1.084 233 H ARG 35 H ARG 35 5.998 -9.146 -1.474 234 HA ARG 35 HA ARG 35 7.344 -10.095 -3.972 235 HB2 ARG 35 HB2 ARG 35 8.726 -10.560 -2.039 236 HB3 ARG 35 HB3 ARG 35 7.362 -11.247 -1.162 237 HG2 ARG 35 HG2 ARG 35 8.831 -13.004 -1.927 238 HG3 ARG 35 HG3 ARG 35 7.262 -13.152 -2.709 239 HD2 ARG 35 HD2 ARG 35 8.230 -12.069 -4.770 240 HD3 ARG 35 HD3 ARG 35 9.792 -11.988 -3.949 241 HE ARG 35 HE ARG 35 10.086 -14.275 -4.194 242 HH11 ARG 35 HH11 ARG 35 6.794 -13.438 -5.300 243 HH12 ARG 35 HH12 ARG 35 6.526 -15.014 -6.011 244 HH21 ARG 35 HH21 ARG 35 9.687 -16.295 -5.130 245 HH22 ARG 35 HH22 ARG 35 8.159 -16.621 -5.918 246 H GLN 36 H GLN 36 4.676 -10.645 -1.662 247 HA GLN 36 HA GLN 36 3.561 -12.800 -3.306 248 HB2 GLN 36 HB2 GLN 36 2.306 -11.571 -0.855 249 HB3 GLN 36 HB3 GLN 36 1.967 -13.138 -1.579 250 HG2 GLN 36 HG2 GLN 36 4.474 -12.309 -0.078 251 HG3 GLN 36 HG3 GLN 36 3.261 -13.445 0.440 252 HE21 GLN 36 HE21 GLN 36 6.017 -13.999 0.430 253 HE22 GLN 36 HE22 GLN 36 6.331 -15.250 -0.770 254 H ARG 37 H ARG 37 3.254 -9.451 -3.403 255 HA ARG 37 HA ARG 37 0.947 -9.589 -5.286 256 HB2 ARG 37 HB2 ARG 37 1.022 -7.935 -3.235 257 HB3 ARG 37 HB3 ARG 37 2.207 -7.061 -4.192 258 HG2 ARG 37 HG2 ARG 37 0.090 -6.034 -4.509 259 HG3 ARG 37 HG3 ARG 37 0.496 -6.834 -6.020 260 HD2 ARG 37 HD2 ARG 37 -1.848 -7.156 -5.565 261 HD3 ARG 37 HD3 ARG 37 -1.048 -8.714 -5.411 262 HE ARG 37 HE ARG 37 -2.059 -6.968 -3.202 263 HH11 ARG 37 HH11 ARG 37 -0.886 -10.190 -4.191 264 HH12 ARG 37 HH12 ARG 37 -1.302 -10.920 -2.657 265 HH21 ARG 37 HH21 ARG 37 -2.557 -7.952 -1.238 266 HH22 ARG 37 HH22 ARG 37 -2.239 -9.654 -0.985 267 H ASP 38 H ASP 38 1.459 -7.942 -7.246 268 HA ASP 38 HA ASP 38 4.244 -8.323 -8.195 269 HB2 ASP 38 HB2 ASP 38 1.790 -7.059 -9.425 270 HB3 ASP 38 HB3 ASP 38 3.410 -6.775 -10.069 271 H ALA 39 H ALA 39 5.849 -6.943 -7.842 272 HA ALA 39 HA ALA 39 5.551 -5.296 -5.625 273 HB1 ALA 39 HB1 ALA 39 7.892 -5.401 -7.561 274 HB2 ALA 39 HB2 ALA 39 7.938 -4.873 -5.867 275 HB3 ALA 39 HB3 ALA 39 7.571 -6.562 -6.258 276 H ASN 40 H ASN 40 6.289 -4.092 -8.961 277 HA ASN 40 HA ASN 40 5.907 -1.247 -8.141 278 HB2 ASN 40 HB2 ASN 40 6.413 -2.613 -10.837 279 HB3 ASN 40 HB3 ASN 40 6.339 -0.881 -10.574 280 HD21 ASN 40 HD21 ASN 40 8.507 -2.357 -11.674 281 HD22 ASN 40 HD22 ASN 40 9.896 -1.978 -10.660 282 H TRP 41 H TRP 41 3.781 -3.828 -9.267 283 HA TRP 41 HA TRP 41 1.624 -2.052 -10.100 284 HB2 TRP 41 HB2 TRP 41 1.401 -4.438 -10.495 285 HB3 TRP 41 HB3 TRP 41 1.579 -4.788 -8.780 286 HD1 TRP 41 HD1 TRP 41 -0.921 -3.588 -11.302 287 HE1 TRP 41 HE1 TRP 41 -3.264 -3.444 -10.307 288 HE3 TRP 41 HE3 TRP 41 0.290 -4.457 -6.424 289 HZ2 TRP 41 HZ2 TRP 41 -4.398 -3.378 -7.616 290 HZ3 TRP 41 HZ3 TRP 41 -1.438 -4.242 -4.634 291 HH2 TRP 41 HH2 TRP 41 -3.780 -3.693 -5.228 292 H LEU 42 H LEU 42 2.666 -3.421 -6.927 293 HA LEU 42 HA LEU 42 0.741 -1.974 -5.418 294 HB2 LEU 42 HB2 LEU 42 1.867 -4.015 -4.714 295 HB3 LEU 42 HB3 LEU 42 3.394 -3.176 -4.539 296 HG LEU 42 HG LEU 42 1.028 -2.077 -3.013 297 HD11 LEU 42 HD11 LEU 42 0.772 -4.454 -2.627 298 HD12 LEU 42 HD12 LEU 42 1.471 -3.726 -1.183 299 HD13 LEU 42 HD13 LEU 42 2.511 -4.634 -2.312 300 HD21 LEU 42 HD21 LEU 42 3.256 -0.978 -2.812 301 HD22 LEU 42 HD22 LEU 42 3.972 -2.519 -2.311 302 HD23 LEU 42 HD23 LEU 42 2.774 -1.713 -1.280 303 H VAL 43 H VAL 43 4.068 -1.039 -6.394 304 HA VAL 43 HA VAL 43 4.020 1.423 -4.918 305 HB VAL 43 HB VAL 43 5.969 1.978 -5.884 306 HG11 VAL 43 HG11 VAL 43 6.055 -0.206 -4.658 307 HG12 VAL 43 HG12 VAL 43 6.468 -0.895 -6.237 308 HG13 VAL 43 HG13 VAL 43 7.466 0.365 -5.562 309 HG21 VAL 43 HG21 VAL 43 7.000 1.114 -7.971 310 HG22 VAL 43 HG22 VAL 43 5.332 0.741 -8.457 311 HG23 VAL 43 HG23 VAL 43 5.775 2.381 -8.051 312 H ARG 44 H ARG 44 2.749 0.701 -8.178 313 HA ARG 44 HA ARG 44 1.967 3.463 -8.703 314 HB2 ARG 44 HB2 ARG 44 2.281 1.915 -10.525 315 HB3 ARG 44 HB3 ARG 44 1.126 0.775 -9.847 316 HG2 ARG 44 HG2 ARG 44 0.145 1.912 -11.734 317 HG3 ARG 44 HG3 ARG 44 -0.728 2.340 -10.264 318 HD2 ARG 44 HD2 ARG 44 0.483 4.512 -10.180 319 HD3 ARG 44 HD3 ARG 44 1.372 4.058 -11.650 320 HE ARG 44 HE ARG 44 -1.478 3.863 -12.027 321 HH11 ARG 44 HH11 ARG 44 1.152 6.269 -11.909 322 HH12 ARG 44 HH12 ARG 44 0.287 7.415 -12.910 323 HH21 ARG 44 HH21 ARG 44 -2.560 5.375 -13.317 324 HH22 ARG 44 HH22 ARG 44 -1.811 6.907 -13.709 325 H TRP 45 H TRP 45 0.208 0.570 -7.520 326 HA TRP 45 HA TRP 45 -2.363 1.591 -7.132 327 HB2 TRP 45 HB2 TRP 45 -1.848 -0.757 -6.850 328 HB3 TRP 45 HB3 TRP 45 -0.723 -0.409 -5.547 329 HD1 TRP 45 HD1 TRP 45 -1.602 -0.859 -3.230 330 HE1 TRP 45 HE1 TRP 45 -3.927 -1.011 -2.089 331 HE3 TRP 45 HE3 TRP 45 -4.556 0.443 -7.187 332 HZ2 TRP 45 HZ2 TRP 45 -6.666 -0.548 -2.780 333 HZ3 TRP 45 HZ3 TRP 45 -7.003 0.664 -6.905 334 HH2 TRP 45 HH2 TRP 45 -8.074 0.163 -4.716 335 H LEU 46 H LEU 46 0.326 1.672 -4.756 336 HA LEU 46 HA LEU 46 -1.140 3.065 -2.766 337 HB2 LEU 46 HB2 LEU 46 0.831 1.667 -2.386 338 HB3 LEU 46 HB3 LEU 46 1.846 2.782 -3.300 339 HG LEU 46 HG LEU 46 1.657 4.480 -1.615 340 HD11 LEU 46 HD11 LEU 46 -0.239 2.570 -0.150 341 HD12 LEU 46 HD12 LEU 46 -0.678 4.152 -0.809 342 HD13 LEU 46 HD13 LEU 46 0.436 4.082 0.534 343 HD21 LEU 46 HD21 LEU 46 2.723 3.331 0.278 344 HD22 LEU 46 HD22 LEU 46 3.317 2.727 -1.271 345 HD23 LEU 46 HD23 LEU 46 2.152 1.757 -0.349 346 H LYS 47 H LYS 47 0.434 4.379 -5.645 347 HA LYS 47 HA LYS 47 0.425 7.094 -4.525 348 HB2 LYS 47 HB2 LYS 47 2.273 6.175 -5.979 349 HB3 LYS 47 HB3 LYS 47 1.170 6.259 -7.360 350 HG2 LYS 47 HG2 LYS 47 1.108 8.620 -7.307 351 HG3 LYS 47 HG3 LYS 47 1.505 8.675 -5.595 352 HD2 LYS 47 HD2 LYS 47 3.348 9.580 -6.617 353 HD3 LYS 47 HD3 LYS 47 3.863 7.966 -6.144 354 HE2 LYS 47 HE2 LYS 47 3.752 7.187 -8.448 355 HE3 LYS 47 HE3 LYS 47 2.921 8.672 -8.952 356 HZ1 LYS 47 HZ1 LYS 47 5.286 8.786 -9.510 357 HZ2 LYS 47 HZ2 LYS 47 5.706 8.578 -7.921 358 HZ3 LYS 47 HZ3 LYS 47 4.921 9.926 -8.373 359 H VAL 48 H VAL 48 -1.823 5.153 -6.365 360 HA VAL 48 HA VAL 48 -3.765 7.357 -6.359 361 HB VAL 48 HB VAL 48 -2.282 7.865 -8.274 362 HG11 VAL 48 HG11 VAL 48 -1.864 5.512 -9.066 363 HG12 VAL 48 HG12 VAL 48 -3.475 5.548 -9.816 364 HG13 VAL 48 HG13 VAL 48 -2.254 6.739 -10.285 365 HG21 VAL 48 HG21 VAL 48 -4.424 8.832 -8.171 366 HG22 VAL 48 HG22 VAL 48 -4.121 8.350 -9.847 367 HG23 VAL 48 HG23 VAL 48 -5.197 7.376 -8.814 368 HA PRO 49 HA PRO 49 -5.383 2.974 -6.203 369 HB2 PRO 49 HB2 PRO 49 -7.006 3.171 -3.975 370 HB3 PRO 49 HB3 PRO 49 -5.265 2.772 -3.940 371 HG2 PRO 49 HG2 PRO 49 -6.556 5.486 -3.536 372 HG3 PRO 49 HG3 PRO 49 -5.303 4.695 -2.525 373 HD2 PRO 49 HD2 PRO 49 -4.620 6.532 -4.394 374 HD3 PRO 49 HD3 PRO 49 -3.622 5.074 -4.159 375 H ASP 50 H ASP 50 -7.312 5.990 -5.784 376 HA ASP 50 HA ASP 50 -9.783 4.857 -6.673 377 HB2 ASP 50 HB2 ASP 50 -9.627 6.956 -5.400 378 HB3 ASP 50 HB3 ASP 50 -8.828 7.744 -6.767 379 H GLN 51 H GLN 51 -7.132 6.380 -8.588 380 HA GLN 51 HA GLN 51 -8.707 6.324 -11.024 381 HB2 GLN 51 HB2 GLN 51 -6.660 7.844 -10.451 382 HB3 GLN 51 HB3 GLN 51 -5.695 6.474 -11.010 383 HG2 GLN 51 HG2 GLN 51 -7.442 6.637 -13.086 384 HG3 GLN 51 HG3 GLN 51 -7.587 8.293 -12.512 385 HE21 GLN 51 HE21 GLN 51 -5.750 9.733 -12.914 386 HE22 GLN 51 HE22 GLN 51 -4.630 9.196 -14.183 387 H MET 52 H MET 52 -6.307 4.098 -9.555 388 HA MET 52 HA MET 52 -6.176 2.254 -11.739 389 HB2 MET 52 HB2 MET 52 -5.730 2.191 -8.723 390 HB3 MET 52 HB3 MET 52 -5.557 0.704 -9.670 391 HG2 MET 52 HG2 MET 52 -4.051 3.290 -10.193 392 HG3 MET 52 HG3 MET 52 -3.461 1.989 -9.163 393 HE1 MET 52 HE1 MET 52 -2.491 -0.866 -11.463 394 HE2 MET 52 HE2 MET 52 -2.351 -0.110 -9.858 395 HE3 MET 52 HE3 MET 52 -3.930 -0.683 -10.433 396 H LEU 53 H LEU 53 -8.531 2.494 -9.003 397 HA LEU 53 HA LEU 53 -10.057 0.181 -9.973 398 HB2 LEU 53 HB2 LEU 53 -10.722 2.418 -8.023 399 HB3 LEU 53 HB3 LEU 53 -11.858 1.139 -8.451 400 HG LEU 53 HG LEU 53 -9.166 0.677 -7.154 401 HD11 LEU 53 HD11 LEU 53 -10.746 1.804 -5.647 402 HD12 LEU 53 HD12 LEU 53 -10.493 0.127 -5.135 403 HD13 LEU 53 HD13 LEU 53 -11.980 0.570 -5.998 404 HD21 LEU 53 HD21 LEU 53 -11.439 -1.287 -7.653 405 HD22 LEU 53 HD22 LEU 53 -9.968 -1.604 -6.706 406 HD23 LEU 53 HD23 LEU 53 -9.845 -1.315 -8.435 407 H ALA 54 H ALA 54 -10.126 3.676 -10.695 408 HA ALA 54 HA ALA 54 -12.603 3.592 -12.155 409 HB1 ALA 54 HB1 ALA 54 -11.502 5.698 -11.362 410 HB2 ALA 54 HB2 ALA 54 -10.234 5.466 -12.584 411 HB3 ALA 54 HB3 ALA 54 -11.910 5.727 -13.085 412 H GLU 55 H GLU 55 -9.196 3.223 -13.233 413 HA GLU 55 HA GLU 55 -9.831 2.736 -15.980 414 HB2 GLU 55 HB2 GLU 55 -7.566 2.628 -16.305 415 HB3 GLU 55 HB3 GLU 55 -7.672 3.613 -14.875 416 HG2 GLU 55 HG2 GLU 55 -6.967 1.662 -13.535 417 HG3 GLU 55 HG3 GLU 55 -6.992 0.634 -14.962 418 H LYS 56 H LYS 56 -10.452 0.727 -13.444 419 HA LYS 56 HA LYS 56 -10.748 -1.484 -13.064 420 HB2 LYS 56 HB2 LYS 56 -11.177 -1.785 -16.054 421 HB3 LYS 56 HB3 LYS 56 -11.754 -2.839 -14.762 422 HG2 LYS 56 HG2 LYS 56 -13.205 -0.973 -13.924 423 HG3 LYS 56 HG3 LYS 56 -12.658 0.016 -15.302 424 HD2 LYS 56 HD2 LYS 56 -13.457 -1.834 -16.837 425 HD3 LYS 56 HD3 LYS 56 -14.202 -2.610 -15.424 426 HE2 LYS 56 HE2 LYS 56 -15.567 -0.552 -15.043 427 HE3 LYS 56 HE3 LYS 56 -14.790 0.209 -16.442 428 HZ1 LYS 56 HZ1 LYS 56 -16.540 -2.178 -16.473 429 HZ2 LYS 56 HZ2 LYS 56 -15.669 -1.666 -17.790 430 HZ3 LYS 56 HZ3 LYS 56 -16.858 -0.718 -17.157 431 H ASP 57 H ASP 57 -8.270 -1.079 -12.738 432 HA ASP 57 HA ASP 57 -6.576 -2.983 -14.259 433 HB2 ASP 57 HB2 ASP 57 -5.616 -0.855 -13.304 434 HB3 ASP 57 HB3 ASP 57 -5.934 -1.491 -11.685 435 HA PRO 58 HA PRO 58 -9.297 -5.568 -12.196 436 HB2 PRO 58 HB2 PRO 58 -8.675 -7.987 -13.273 437 HB3 PRO 58 HB3 PRO 58 -9.287 -6.560 -14.187 438 HG2 PRO 58 HG2 PRO 58 -6.348 -7.281 -13.883 439 HG3 PRO 58 HG3 PRO 58 -7.300 -7.176 -15.421 440 HD2 PRO 58 HD2 PRO 58 -5.912 -5.119 -14.426 441 HD3 PRO 58 HD3 PRO 58 -7.542 -4.855 -15.104 442 H LEU 59 H LEU 59 -5.921 -6.131 -11.727 443 HA LEU 59 HA LEU 59 -6.084 -7.945 -9.475 444 HB2 LEU 59 HB2 LEU 59 -4.040 -7.621 -10.799 445 HB3 LEU 59 HB3 LEU 59 -3.934 -5.945 -10.270 446 HG LEU 59 HG LEU 59 -3.499 -6.652 -7.959 447 HD11 LEU 59 HD11 LEU 59 -4.775 -8.735 -7.790 448 HD12 LEU 59 HD12 LEU 59 -3.076 -9.059 -7.437 449 HD13 LEU 59 HD13 LEU 59 -3.746 -9.501 -9.025 450 HD21 LEU 59 HD21 LEU 59 -1.302 -7.665 -8.301 451 HD22 LEU 59 HD22 LEU 59 -1.613 -6.484 -9.582 452 HD23 LEU 59 HD23 LEU 59 -1.770 -8.213 -9.926 453 H ALA 60 H ALA 60 -6.363 -4.362 -9.717 454 HA ALA 60 HA ALA 60 -6.499 -3.980 -6.818 455 HB1 ALA 60 HB1 ALA 60 -7.582 -2.234 -9.066 456 HB2 ALA 60 HB2 ALA 60 -7.370 -1.799 -7.366 457 HB3 ALA 60 HB3 ALA 60 -5.949 -2.097 -8.386 458 H MET 61 H MET 61 -8.848 -4.467 -9.446 459 HA MET 61 HA MET 61 -11.222 -4.223 -7.880 460 HB2 MET 61 HB2 MET 61 -10.922 -5.995 -10.317 461 HB3 MET 61 HB3 MET 61 -12.368 -5.165 -9.747 462 HG2 MET 61 HG2 MET 61 -9.911 -3.779 -10.878 463 HG3 MET 61 HG3 MET 61 -11.324 -4.208 -11.814 464 HE1 MET 61 HE1 MET 61 -13.845 -3.466 -10.380 465 HE2 MET 61 HE2 MET 61 -14.014 -1.762 -10.863 466 HE3 MET 61 HE3 MET 61 -13.383 -2.965 -12.023 467 H LEU 62 H LEU 62 -9.030 -6.952 -8.228 468 HA LEU 62 HA LEU 62 -10.691 -8.789 -6.632 469 HB2 LEU 62 HB2 LEU 62 -7.728 -8.683 -7.292 470 HB3 LEU 62 HB3 LEU 62 -8.466 -9.947 -6.331 471 HG LEU 62 HG LEU 62 -9.043 -9.404 -9.262 472 HD11 LEU 62 HD11 LEU 62 -6.829 -10.393 -8.802 473 HD12 LEU 62 HD12 LEU 62 -7.900 -11.544 -9.607 474 HD13 LEU 62 HD13 LEU 62 -7.599 -11.688 -7.860 475 HD21 LEU 62 HD21 LEU 62 -10.107 -11.592 -7.432 476 HD22 LEU 62 HD22 LEU 62 -10.297 -11.526 -9.213 477 HD23 LEU 62 HD23 LEU 62 -11.063 -10.304 -8.201 478 H LEU 63 H LEU 63 -7.853 -6.607 -5.999 479 HA LEU 63 HA LEU 63 -7.371 -7.762 -3.457 480 HB2 LEU 63 HB2 LEU 63 -5.714 -6.748 -4.936 481 HB3 LEU 63 HB3 LEU 63 -6.463 -5.170 -4.794 482 HG LEU 63 HG LEU 63 -4.303 -5.548 -3.574 483 HD11 LEU 63 HD11 LEU 63 -4.843 -4.228 -1.675 484 HD12 LEU 63 HD12 LEU 63 -6.539 -4.716 -1.699 485 HD13 LEU 63 HD13 LEU 63 -5.893 -3.706 -3.008 486 HD21 LEU 63 HD21 LEU 63 -6.010 -7.179 -1.669 487 HD22 LEU 63 HD22 LEU 63 -4.325 -6.697 -1.418 488 HD23 LEU 63 HD23 LEU 63 -4.740 -7.816 -2.735 489 H PHE 64 H PHE 64 -9.149 -4.869 -4.433 490 HA PHE 64 HA PHE 64 -9.473 -3.929 -1.700 491 HB2 PHE 64 HB2 PHE 64 -10.358 -2.087 -2.529 492 HB3 PHE 64 HB3 PHE 64 -9.690 -2.647 -4.041 493 HD1 PHE 64 HD2 PHE 64 -12.753 -2.218 -2.025 494 HD2 PHE 64 HD1 PHE 64 -11.207 -3.401 -5.852 495 HE1 PHE 64 HE2 PHE 64 -15.022 -2.043 -2.985 496 HE2 PHE 64 HE1 PHE 64 -13.484 -3.219 -6.832 497 HZ PHE 64 HZ PHE 64 -15.408 -2.568 -5.393 498 H GLU 65 H GLU 65 -11.414 -6.087 -3.743 499 HA GLU 65 HA GLU 65 -13.653 -6.109 -1.917 500 HB2 GLU 65 HB2 GLU 65 -12.927 -8.012 -4.165 501 HB3 GLU 65 HB3 GLU 65 -14.381 -8.133 -3.167 502 HG2 GLU 65 HG2 GLU 65 -14.696 -5.579 -3.838 503 HG3 GLU 65 HG3 GLU 65 -13.688 -6.037 -5.211 504 H GLN 66 H GLN 66 -10.607 -7.818 -1.704 505 HA GLN 66 HA GLN 66 -11.696 -9.960 -0.057 506 HB2 GLN 66 HB2 GLN 66 -8.851 -8.984 -0.589 507 HB3 GLN 66 HB3 GLN 66 -9.181 -10.332 0.488 508 HG2 GLN 66 HG2 GLN 66 -9.923 -10.267 -2.443 509 HG3 GLN 66 HG3 GLN 66 -8.484 -11.026 -1.789 510 HE21 GLN 66 HE21 GLN 66 -11.573 -11.756 -2.821 511 HE22 GLN 66 HE22 GLN 66 -11.858 -13.210 -1.889 512 H TYR 67 H TYR 67 -11.101 -6.734 0.718 513 HA TYR 67 HA TYR 67 -10.951 -7.408 3.631 514 HB2 TYR 67 HB2 TYR 67 -9.428 -5.266 2.144 515 HB3 TYR 67 HB3 TYR 67 -9.360 -5.573 3.880 516 HD1 TYR 67 HD1 TYR 67 -8.803 -8.155 4.499 517 HD2 TYR 67 HD2 TYR 67 -7.699 -6.201 0.807 518 HE1 TYR 67 HE1 TYR 67 -7.125 -9.935 4.048 519 HE2 TYR 67 HE2 TYR 67 -5.953 -7.943 0.417 520 HH TYR 67 HH TYR 67 -5.749 -10.837 2.482 521 H ASN 68 H ASN 68 -13.176 -7.224 3.650 522 HA ASN 68 HA ASN 68 -15.188 -6.303 3.907 523 HB2 ASN 68 HB2 ASN 68 -13.786 -5.355 5.823 524 HB3 ASN 68 HB3 ASN 68 -13.749 -3.833 4.933 525 HD21 ASN 68 HD21 ASN 68 -15.412 -2.398 5.522 526 HD22 ASN 68 HD22 ASN 68 -16.914 -2.922 6.252 527 H ARG 69 H ARG 69 -13.963 -5.762 1.202 528 HA ARG 69 HA ARG 69 -14.232 -4.481 -0.664 529 HB2 ARG 69 HB2 ARG 69 -16.858 -3.390 0.289 530 HB3 ARG 69 HB3 ARG 69 -16.371 -3.855 -1.329 531 HG2 ARG 69 HG2 ARG 69 -17.083 -5.721 0.973 532 HG3 ARG 69 HG3 ARG 69 -18.107 -5.304 -0.395 533 HD2 ARG 69 HD2 ARG 69 -16.643 -6.448 -1.952 534 HD3 ARG 69 HD3 ARG 69 -15.447 -6.734 -0.675 535 HE ARG 69 HE ARG 69 -17.564 -7.908 0.434 536 HH11 ARG 69 HH11 ARG 69 -16.365 -8.276 -2.908 537 HH12 ARG 69 HH12 ARG 69 -16.970 -9.912 -3.044 538 HH21 ARG 69 HH21 ARG 69 -18.320 -10.006 0.213 539 HH22 ARG 69 HH22 ARG 69 -18.079 -10.891 -1.278 540 H LEU 70 H LEU 70 -12.914 -3.092 1.664 541 HA LEU 70 HA LEU 70 -14.113 -0.689 2.286 542 HB2 LEU 70 HB2 LEU 70 -12.443 -1.880 3.594 543 HB3 LEU 70 HB3 LEU 70 -11.164 -1.404 2.485 544 HG LEU 70 HG LEU 70 -12.821 0.773 3.778 545 HD11 LEU 70 HD11 LEU 70 -11.496 0.800 5.788 546 HD12 LEU 70 HD12 LEU 70 -10.618 -0.658 5.278 547 HD13 LEU 70 HD13 LEU 70 -12.355 -0.734 5.646 548 HD21 LEU 70 HD21 LEU 70 -10.985 1.407 2.211 549 HD22 LEU 70 HD22 LEU 70 -9.827 0.502 3.200 550 HD23 LEU 70 HD23 LEU 70 -10.642 1.948 3.852 551 H ALA 71 H ALA 71 -11.744 -1.070 -0.338 552 HA ALA 71 HA ALA 71 -11.190 0.214 -2.089 553 HB1 ALA 71 HB1 ALA 71 -13.781 1.715 -1.602 554 HB2 ALA 71 HB2 ALA 71 -12.853 1.626 -3.111 555 HB3 ALA 71 HB3 ALA 71 -13.630 0.172 -2.456 556 H MET 72 H MET 72 -9.447 0.882 -0.476 557 HA MET 72 HA MET 72 -9.410 3.112 1.083 558 HB2 MET 72 HB2 MET 72 -7.740 1.291 0.959 559 HB3 MET 72 HB3 MET 72 -7.083 1.994 -0.523 560 HG2 MET 72 HG2 MET 72 -6.400 4.002 0.734 561 HG3 MET 72 HG3 MET 72 -7.186 3.374 2.183 562 HE1 MET 72 HE1 MET 72 -3.209 1.858 0.361 563 HE2 MET 72 HE2 MET 72 -4.749 1.520 -0.458 564 HE3 MET 72 HE3 MET 72 -4.199 3.200 -0.241 565 HA PRO 73 HA PRO 73 -9.134 6.650 -1.766 566 HB2 PRO 73 HB2 PRO 73 -8.932 8.691 0.007 567 HB3 PRO 73 HB3 PRO 73 -10.433 7.728 -0.163 568 HG2 PRO 73 HG2 PRO 73 -8.219 7.367 1.872 569 HG3 PRO 73 HG3 PRO 73 -9.980 7.499 2.180 570 HD2 PRO 73 HD2 PRO 73 -8.740 5.077 1.997 571 HD3 PRO 73 HD3 PRO 73 -10.390 5.329 1.368 572 H ASN 74 H ASN 74 -7.596 8.508 -2.195 573 HA ASN 74 HA ASN 74 -4.793 7.618 -1.947 574 HB2 ASN 74 HB2 ASN 74 -5.791 8.442 -4.112 575 HB3 ASN 74 HB3 ASN 74 -6.011 10.021 -3.378 576 HD21 ASN 74 HD21 ASN 74 -4.641 10.335 -5.497 577 HD22 ASN 74 HD22 ASN 74 -2.901 10.411 -5.164 578 H MET 75 H MET 75 -3.488 8.283 -0.325 579 HA MET 75 HA MET 75 -4.635 10.268 1.575 580 HB2 MET 75 HB2 MET 75 -2.847 7.868 1.942 581 HB3 MET 75 HB3 MET 75 -3.246 9.004 3.252 582 HG2 MET 75 HG2 MET 75 -5.638 8.593 2.928 583 HG3 MET 75 HG3 MET 75 -5.284 7.450 1.628 584 HE1 MET 75 HE1 MET 75 -6.843 5.738 2.791 585 HE2 MET 75 HE2 MET 75 -6.708 5.216 4.482 586 HE3 MET 75 HE3 MET 75 -7.156 6.893 4.109 587 H ARG 76 H ARG 76 -3.415 11.589 -0.369 588 HA ARG 76 HA ARG 76 -1.997 13.310 -0.749 589 HB2 ARG 76 HB2 ARG 76 -2.152 13.455 2.277 590 HB3 ARG 76 HB3 ARG 76 -1.606 14.769 1.234 591 HG2 ARG 76 HG2 ARG 76 -3.782 14.865 0.113 592 HG3 ARG 76 HG3 ARG 76 -4.391 13.539 1.128 593 HD2 ARG 76 HD2 ARG 76 -4.068 14.868 3.147 594 HD3 ARG 76 HD3 ARG 76 -3.316 16.171 2.228 595 HE ARG 76 HE ARG 76 -6.185 15.434 2.312 596 HH11 ARG 76 HH11 ARG 76 -3.711 17.633 0.966 597 HH12 ARG 76 HH12 ARG 76 -4.897 18.813 0.456 598 HH21 ARG 76 HH21 ARG 76 -7.675 16.993 1.635 599 HH22 ARG 76 HH22 ARG 76 -7.135 18.451 0.833 600 H LEU 77 H LEU 77 -0.433 10.681 -0.213 601 HA LEU 77 HA LEU 77 2.092 11.471 0.910 602 HB2 LEU 77 HB2 LEU 77 1.428 9.275 -1.087 603 HB3 LEU 77 HB3 LEU 77 2.971 9.446 -0.258 604 HG LEU 77 HG LEU 77 0.310 8.888 1.121 605 HD11 LEU 77 HD11 LEU 77 1.082 7.003 -0.255 606 HD12 LEU 77 HD12 LEU 77 1.244 6.630 1.463 607 HD13 LEU 77 HD13 LEU 77 2.685 7.073 0.522 608 HD21 LEU 77 HD21 LEU 77 3.165 8.903 2.212 609 HD22 LEU 77 HD22 LEU 77 1.717 8.365 3.098 610 HD23 LEU 77 HD23 LEU 77 1.876 10.055 2.628 611 H GLY 78 H GLY 78 3.733 12.656 0.119 612 HA2 GLY 78 HA2 GLY 78 3.819 13.755 -2.572 613 HA3 GLY 78 HA3 GLY 78 5.138 13.739 -1.396 614 H ASP 79 H ASP 79 5.511 13.218 -4.212 615 HA ASP 79 HA ASP 79 5.560 10.427 -4.871 616 HB2 ASP 79 HB2 ASP 79 7.300 12.704 -5.910 617 HB3 ASP 79 HB3 ASP 79 7.124 11.118 -6.660 618 H ALA 80 H ALA 80 7.906 12.481 -3.169 619 HA ALA 80 HA ALA 80 9.973 10.432 -2.947 620 HB1 ALA 80 HB1 ALA 80 9.573 13.043 -1.426 621 HB2 ALA 80 HB2 ALA 80 11.068 12.099 -1.550 622 HB3 ALA 80 HB3 ALA 80 10.407 12.894 -2.989 623 H GLU 81 H GLU 81 7.049 11.245 -1.171 624 HA GLU 81 HA GLU 81 7.823 9.767 1.253 625 HB2 GLU 81 HB2 GLU 81 5.102 10.862 0.472 626 HB3 GLU 81 HB3 GLU 81 5.567 10.183 2.031 627 HG2 GLU 81 HG2 GLU 81 7.326 11.979 2.231 628 HG3 GLU 81 HG3 GLU 81 6.664 12.733 0.780 629 H VAL 82 H VAL 82 5.678 9.163 -1.616 630 HA VAL 82 HA VAL 82 5.002 6.467 -0.864 631 HB VAL 82 HB VAL 82 5.423 7.526 -3.690 632 HG11 VAL 82 HG11 VAL 82 3.872 5.675 -4.312 633 HG12 VAL 82 HG12 VAL 82 5.355 5.048 -3.607 634 HG13 VAL 82 HG13 VAL 82 3.874 5.108 -2.628 635 HG21 VAL 82 HG21 VAL 82 2.877 7.341 -2.020 636 HG22 VAL 82 HG22 VAL 82 3.685 8.843 -2.526 637 HG23 VAL 82 HG23 VAL 82 2.961 7.789 -3.734 638 H SER 83 H SER 83 7.798 7.758 -2.696 639 HA SER 83 HA SER 83 9.220 5.362 -3.088 640 HB2 SER 83 HB2 SER 83 10.429 8.066 -2.376 641 HB3 SER 83 HB3 SER 83 11.245 6.724 -3.182 642 HG SER 83 HG SER 83 9.052 8.263 -4.187 643 H ALA 84 H ALA 84 8.978 7.308 -0.134 644 HA ALA 84 HA ALA 84 10.940 5.789 1.373 645 HB1 ALA 84 HB1 ALA 84 10.599 8.199 1.701 646 HB2 ALA 84 HB2 ALA 84 8.913 7.910 2.188 647 HB3 ALA 84 HB3 ALA 84 10.222 7.279 3.173 648 H LEU 85 H LEU 85 7.371 5.690 1.085 649 HA LEU 85 HA LEU 85 6.999 3.785 3.252 650 HB2 LEU 85 HB2 LEU 85 5.350 4.757 0.907 651 HB3 LEU 85 HB3 LEU 85 4.909 3.244 1.659 652 HG LEU 85 HG LEU 85 3.538 4.922 2.547 653 HD11 LEU 85 HD11 LEU 85 3.796 4.629 4.903 654 HD12 LEU 85 HD12 LEU 85 5.529 4.318 4.761 655 HD13 LEU 85 HD13 LEU 85 4.363 3.139 4.118 656 HD21 LEU 85 HD21 LEU 85 4.296 6.818 3.875 657 HD22 LEU 85 HD22 LEU 85 4.847 6.920 2.205 658 HD23 LEU 85 HD23 LEU 85 5.991 6.440 3.481 659 H ILE 86 H ILE 86 7.894 3.485 -0.128 660 HA ILE 86 HA ILE 86 7.608 0.583 -0.308 661 HB ILE 86 HB ILE 86 8.647 2.803 -2.026 662 HG12 ILE 86 HG12 ILE 86 7.238 1.773 -3.673 663 HG13 ILE 86 HG13 ILE 86 7.049 0.305 -2.697 664 HG21 ILE 86 HG21 ILE 86 10.540 1.273 -2.240 665 HG22 ILE 86 HG22 ILE 86 9.442 -0.110 -2.464 666 HG23 ILE 86 HG23 ILE 86 9.537 1.175 -3.686 667 HD11 ILE 86 HD11 ILE 86 5.841 3.023 -2.080 668 HD12 ILE 86 HD12 ILE 86 5.005 1.616 -2.742 669 HD13 ILE 86 HD13 ILE 86 5.639 1.552 -1.094 670 H SER 87 H SER 87 10.443 2.775 0.338 671 HA SER 87 HA SER 87 12.211 0.538 0.805 672 HB2 SER 87 HB2 SER 87 13.739 2.168 1.776 673 HB3 SER 87 HB3 SER 87 13.101 2.710 0.211 674 HG SER 87 HG SER 87 13.060 4.398 1.715 675 H TYR 88 H TYR 88 10.018 2.385 3.002 676 HA TYR 88 HA TYR 88 10.828 1.054 5.409 677 HB2 TYR 88 HB2 TYR 88 9.412 2.985 5.498 678 HB3 TYR 88 HB3 TYR 88 8.195 2.233 4.484 679 HD1 TYR 88 HD1 TYR 88 9.917 1.729 7.787 680 HD2 TYR 88 HD2 TYR 88 6.307 1.272 5.483 681 HE1 TYR 88 HE1 TYR 88 8.752 0.832 9.795 682 HE2 TYR 88 HE2 TYR 88 5.121 0.441 7.521 683 HH TYR 88 HH TYR 88 6.820 -0.051 10.625 684 H LEU 89 H LEU 89 8.436 0.014 2.896 685 HA LEU 89 HA LEU 89 7.574 -2.300 4.246 686 HB2 LEU 89 HB2 LEU 89 6.414 -0.899 2.505 687 HB3 LEU 89 HB3 LEU 89 7.593 -1.449 1.313 688 HG LEU 89 HG LEU 89 6.821 -3.773 1.749 689 HD11 LEU 89 HD11 LEU 89 5.728 -3.490 3.941 690 HD12 LEU 89 HD12 LEU 89 4.514 -4.001 2.770 691 HD13 LEU 89 HD13 LEU 89 4.608 -2.294 3.249 692 HD21 LEU 89 HD21 LEU 89 4.758 -3.514 0.377 693 HD22 LEU 89 HD22 LEU 89 6.061 -2.471 -0.207 694 HD23 LEU 89 HD23 LEU 89 4.738 -1.778 0.753 695 H GLU 90 H GLU 90 10.050 -1.858 1.670 696 HA GLU 90 HA GLU 90 10.899 -4.590 1.471 697 HB2 GLU 90 HB2 GLU 90 12.305 -1.929 1.009 698 HB3 GLU 90 HB3 GLU 90 13.133 -3.471 0.836 699 HG2 GLU 90 HG2 GLU 90 11.450 -4.178 -0.870 700 HG3 GLU 90 HG3 GLU 90 10.782 -2.537 -0.831 701 H GLU 91 H GLU 91 12.001 -1.985 3.720 702 HA GLU 91 HA GLU 91 14.054 -3.745 4.840 703 HB2 GLU 91 HB2 GLU 91 13.191 -0.920 5.466 704 HB3 GLU 91 HB3 GLU 91 14.464 -1.753 6.350 705 HG2 GLU 91 HG2 GLU 91 14.559 -1.410 3.323 706 HG3 GLU 91 HG3 GLU 91 15.220 -0.236 4.457 707 H GLU 92 H GLU 92 10.742 -2.859 5.952 708 HA GLU 92 HA GLU 92 11.190 -4.269 8.492 709 HB2 GLU 92 HB2 GLU 92 8.665 -3.558 6.966 710 HB3 GLU 92 HB3 GLU 92 8.648 -4.497 8.457 711 HG2 GLU 92 HG2 GLU 92 9.803 -1.689 8.233 712 HG3 GLU 92 HG3 GLU 92 8.177 -2.081 8.794 713 H THR 93 H THR 93 9.949 -5.298 5.283 714 HA THR 93 HA THR 93 9.432 -8.000 5.985 715 HB THR 93 HB THR 93 10.355 -6.864 3.314 716 HG1 THR 93 HG1 THR 93 8.504 -5.917 3.743 717 HG21 THR 93 HG21 THR 93 9.170 -8.783 2.310 718 HG22 THR 93 HG22 THR 93 8.903 -9.473 3.933 719 HG23 THR 93 HG23 THR 93 10.544 -9.319 3.272 720 H ALA 94 H ALA 94 12.515 -6.533 4.913 721 HA ALA 94 HA ALA 94 13.912 -9.079 4.943 722 HB1 ALA 94 HB1 ALA 94 14.910 -6.209 4.710 723 HB2 ALA 94 HB2 ALA 94 15.850 -7.674 4.358 724 HB3 ALA 94 HB3 ALA 94 14.435 -7.276 3.371 725 H ARG 95 H ARG 95 13.205 -6.833 7.510 726 HA ARG 95 HA ARG 95 15.528 -7.853 9.105 727 HB2 ARG 95 HB2 ARG 95 14.582 -4.982 9.119 728 HB3 ARG 95 HB3 ARG 95 15.974 -5.659 9.944 729 HG2 ARG 95 HG2 ARG 95 17.079 -6.164 7.794 730 HG3 ARG 95 HG3 ARG 95 15.684 -5.533 6.912 731 HD2 ARG 95 HD2 ARG 95 17.355 -3.843 6.904 732 HD3 ARG 95 HD3 ARG 95 16.026 -3.301 7.942 733 HE ARG 95 HE ARG 95 17.885 -4.575 9.614 734 HH11 ARG 95 HH11 ARG 95 17.844 -1.702 7.502 735 HH12 ARG 95 HH12 ARG 95 19.044 -0.854 8.453 736 HH21 ARG 95 HH21 ARG 95 19.436 -3.447 10.816 737 HH22 ARG 95 HH22 ARG 95 19.946 -1.845 10.334 738 H LEU 96 H LEU 96 12.224 -7.856 9.204 739 HA LEU 96 HA LEU 96 11.339 -7.005 11.631 740 HB2 LEU 96 HB2 LEU 96 10.243 -8.379 9.640 741 HB3 LEU 96 HB3 LEU 96 10.513 -9.740 10.639 742 HG LEU 96 HG LEU 96 8.273 -9.059 10.814 743 HD11 LEU 96 HD11 LEU 96 8.001 -8.738 13.159 744 HD12 LEU 96 HD12 LEU 96 9.644 -8.060 13.289 745 HD13 LEU 96 HD13 LEU 96 9.420 -9.782 12.872 746 HD21 LEU 96 HD21 LEU 96 8.704 -6.741 10.054 747 HD22 LEU 96 HD22 LEU 96 9.268 -6.327 11.685 748 HD23 LEU 96 HD23 LEU 96 7.584 -6.843 11.431 749 H GLN 97 H GLN 97 12.854 -10.218 11.172 750 HA GLN 97 HA GLN 97 13.951 -11.592 12.482 751 HB2 GLN 97 HB2 GLN 97 15.336 -9.465 12.280 752 HB3 GLN 97 HB3 GLN 97 14.935 -9.144 13.964 753 HG2 GLN 97 HG2 GLN 97 15.850 -11.907 13.582 754 HG3 GLN 97 HG3 GLN 97 16.987 -10.808 12.831 755 HE21 GLN 97 HE21 GLN 97 17.797 -12.428 14.875 756 HE22 GLN 97 HE22 GLN 97 18.154 -11.402 16.283 757 H THR 98 H THR 98 11.294 -11.450 13.417 758 HA THR 98 HA THR 98 11.784 -12.788 15.954 759 HB THR 98 HB THR 98 11.543 -10.765 16.999 760 HG1 THR 98 HG1 THR 98 10.140 -11.423 18.351 761 HG21 THR 98 HG21 THR 98 8.887 -10.236 15.615 762 HG22 THR 98 HG22 THR 98 10.415 -9.402 15.263 763 HG23 THR 98 HG23 THR 98 9.684 -9.243 16.855 764 HA PRO 99 HA PRO 99 8.016 -14.859 14.529 765 HB2 PRO 99 HB2 PRO 99 8.743 -17.399 14.877 766 HB3 PRO 99 HB3 PRO 99 9.535 -16.426 13.609 767 HG2 PRO 99 HG2 PRO 99 10.583 -17.063 16.384 768 HG3 PRO 99 HG3 PRO 99 11.449 -17.155 14.819 769 HD2 PRO 99 HD2 PRO 99 11.459 -14.952 16.592 770 HD3 PRO 99 HD3 PRO 99 11.913 -14.892 14.875 771 H VAL 100 H VAL 100 8.970 -13.671 17.259 772 HA VAL 100 HA VAL 100 7.666 -15.518 19.217 773 HB VAL 100 HB VAL 100 9.956 -13.537 19.444 774 HG11 VAL 100 HG11 VAL 100 10.148 -14.262 21.825 775 HG12 VAL 100 HG12 VAL 100 8.685 -13.324 21.531 776 HG13 VAL 100 HG13 VAL 100 8.584 -15.093 21.681 777 HG21 VAL 100 HG21 VAL 100 10.522 -15.764 18.518 778 HG22 VAL 100 HG22 VAL 100 11.239 -15.518 20.108 779 HG23 VAL 100 HG23 VAL 100 9.794 -16.537 19.935 780 H THR 101 H THR 101 7.763 -12.055 18.197 781 HA THR 101 HA THR 101 6.109 -11.026 20.273 782 HB THR 101 HB THR 101 5.500 -9.233 18.617 783 HG1 THR 101 HG1 THR 101 6.676 -9.288 16.660 784 HG21 THR 101 HG21 THR 101 7.730 -8.280 18.499 785 HG22 THR 101 HG22 THR 101 8.468 -9.879 18.719 786 HG23 THR 101 HG23 THR 101 7.567 -9.132 20.042 787 H ASN 102 H ASN 102 5.136 -12.853 17.396 788 HA ASN 102 HA ASN 102 2.304 -12.325 17.773 789 HB2 ASN 102 HB2 ASN 102 3.873 -14.344 16.133 790 HB3 ASN 102 HB3 ASN 102 2.113 -14.361 16.217 791 HD21 ASN 102 HD21 ASN 102 4.851 -12.696 14.832 792 HD22 ASN 102 HD22 ASN 102 3.856 -11.626 13.859 793 H ARG 103 H ARG 103 4.462 -14.458 19.476 794 HA ARG 103 HA ARG 103 2.157 -16.057 20.539 795 HB2 ARG 103 HB2 ARG 103 5.139 -16.591 20.753 796 HB3 ARG 103 HB3 ARG 103 3.836 -17.654 21.278 797 HG2 ARG 103 HG2 ARG 103 4.525 -16.905 18.403 798 HG3 ARG 103 HG3 ARG 103 4.787 -18.456 19.201 799 HD2 ARG 103 HD2 ARG 103 2.306 -18.709 19.474 800 HD3 ARG 103 HD3 ARG 103 2.085 -17.195 18.573 801 HE ARG 103 HE ARG 103 3.723 -19.114 17.152 802 HH11 ARG 103 HH11 ARG 103 0.335 -18.213 17.815 803 HH12 ARG 103 HH12 ARG 103 -0.263 -18.986 16.363 804 HH21 ARG 103 HH21 ARG 103 2.898 -20.105 15.282 805 HH22 ARG 103 HH22 ARG 103 1.183 -20.057 14.937 806 H GLY 104 H GLY 104 4.840 -13.947 21.585 807 HA2 GLY 104 HA2 GLY 104 4.611 -14.307 24.367 808 HA3 GLY 104 HA3 GLY 104 5.205 -12.844 23.572 809 H ILE 105 H ILE 105 2.587 -12.267 22.274 810 HA ILE 105 HA ILE 105 1.286 -10.972 24.573 811 HB ILE 105 HB ILE 105 0.701 -10.602 21.632 812 HG12 ILE 105 HG12 ILE 105 3.011 -9.945 21.966 813 HG13 ILE 105 HG13 ILE 105 2.005 -8.534 21.739 814 HG21 ILE 105 HG21 ILE 105 -0.295 -8.458 22.437 815 HG22 ILE 105 HG22 ILE 105 -1.143 -9.881 23.047 816 HG23 ILE 105 HG23 ILE 105 -0.045 -8.985 24.113 817 HD11 ILE 105 HD11 ILE 105 2.087 -8.062 24.184 818 HD12 ILE 105 HD12 ILE 105 3.104 -9.506 24.418 819 HD13 ILE 105 HD13 ILE 105 3.696 -8.141 23.457 820 HA PRO 106 HA PRO 106 -1.747 -14.298 24.355 821 HB2 PRO 106 HB2 PRO 106 -2.968 -13.978 26.749 822 HB3 PRO 106 HB3 PRO 106 -1.257 -14.491 26.618 823 HG2 PRO 106 HG2 PRO 106 -2.348 -11.701 27.091 824 HG3 PRO 106 HG3 PRO 106 -1.072 -12.557 28.020 825 HD2 PRO 106 HD2 PRO 106 -0.516 -10.781 26.002 826 HD3 PRO 106 HD3 PRO 106 0.512 -12.207 26.340 827 HHA HEC 107 HHA HEC 107 -4.520 -2.746 1.023 828 HHB HEC 107 HHB HEC 107 0.300 1.403 1.927 829 HHC HEC 107 HHC HEC 107 -3.503 4.925 5.828 830 HHD HEC 107 HHD HEC 107 -7.963 0.232 5.564 831 HMA1 HEC 107 HMA1 HEC 107 1.118 -0.463 0.913 832 HMA2 HEC 107 HMA2 HEC 107 0.579 -1.886 0.036 833 HMA3 HEC 107 HMA3 HEC 107 0.333 -0.279 -0.675 834 HAA1 HEC 107 HAA1 HEC 107 -3.045 -2.972 -0.680 835 HAA2 HEC 107 HAA2 HEC 107 -1.348 -2.747 -1.017 836 HBA1 HEC 107 HBA1 HEC 107 -0.692 -4.114 0.868 837 HBA2 HEC 107 HBA2 HEC 107 -2.345 -4.163 1.486 838 HMB1 HEC 107 HMB1 HEC 107 1.596 3.192 4.187 839 HMB2 HEC 107 HMB2 HEC 107 1.404 3.228 2.426 840 HMB3 HEC 107 HMB3 HEC 107 1.303 4.716 3.351 841 HAB HEC 107 HAB HEC 107 -1.664 5.852 5.699 842 HBB1 HEC 107 HBB1 HEC 107 -0.603 7.647 4.616 843 HBB2 HEC 107 HBB2 HEC 107 0.123 6.575 3.410 844 HBB3 HEC 107 HBB3 HEC 107 -1.635 6.781 3.465 845 HMC1 HEC 107 HMC1 HEC 107 -4.808 5.105 7.618 846 HMC2 HEC 107 HMC2 HEC 107 -6.342 5.620 6.892 847 HMC3 HEC 107 HMC3 HEC 107 -6.321 4.537 8.296 848 HAC HEC 107 HAC HEC 107 -8.667 1.712 6.783 849 HBC1 HEC 107 HBC1 HEC 107 -8.526 4.576 7.677 850 HBC2 HEC 107 HBC2 HEC 107 -9.117 4.041 6.091 851 HBC3 HEC 107 HBC3 HEC 107 -9.930 3.513 7.575 852 HMD1 HEC 107 HMD1 HEC 107 -8.571 -1.983 5.507 853 HMD2 HEC 107 HMD2 HEC 107 -9.371 -1.954 3.910 854 HMD3 HEC 107 HMD3 HEC 107 -8.477 -3.375 4.436 855 HAD1 HEC 107 HAD1 HEC 107 -6.360 -3.770 1.192 856 HAD2 HEC 107 HAD2 HEC 107 -7.462 -4.193 2.470 857 HBD1 HEC 107 HBD1 HEC 107 -8.574 -3.698 0.289 858 HBD2 HEC 107 HBD2 HEC 107 -9.156 -2.675 1.593 Start of MODEL 15 1 H SER 1 H SER 1 13.313 4.608 7.629 2 HA SER 1 HA SER 1 14.408 5.790 5.151 3 HB2 SER 1 HB2 SER 1 14.083 3.769 3.782 4 HB3 SER 1 HB3 SER 1 15.364 3.609 4.986 5 HG SER 1 HG SER 1 14.247 1.769 5.128 6 H GLY 2 H GLY 2 11.608 4.577 6.858 7 HA2 GLY 2 HA2 GLY 2 9.773 6.156 5.209 8 HA3 GLY 2 HA3 GLY 2 9.636 4.476 4.850 9 H GLU 3 H GLU 3 10.293 3.962 7.876 10 HA GLU 3 HA GLU 3 7.724 3.423 8.824 11 HB2 GLU 3 HB2 GLU 3 8.811 2.932 10.891 12 HB3 GLU 3 HB3 GLU 3 9.838 2.394 9.573 13 HG2 GLU 3 HG2 GLU 3 10.266 4.767 11.405 14 HG3 GLU 3 HG3 GLU 3 11.219 3.312 11.278 15 H GLN 4 H GLN 4 9.729 6.359 9.512 16 HA GLN 4 HA GLN 4 7.762 7.520 11.272 17 HB2 GLN 4 HB2 GLN 4 10.236 8.560 9.870 18 HB3 GLN 4 HB3 GLN 4 9.231 9.597 10.892 19 HG2 GLN 4 HG2 GLN 4 9.609 8.292 12.844 20 HG3 GLN 4 HG3 GLN 4 10.277 6.945 11.938 21 HE21 GLN 4 HE21 GLN 4 12.402 7.219 10.889 22 HE22 GLN 4 HE22 GLN 4 13.549 8.345 11.654 23 H ILE 5 H ILE 5 7.684 7.221 7.865 24 HA ILE 5 HA ILE 5 5.630 9.367 7.593 25 HB ILE 5 HB ILE 5 6.866 7.467 5.564 26 HG12 ILE 5 HG12 ILE 5 6.860 10.522 5.796 27 HG13 ILE 5 HG13 ILE 5 8.163 9.499 6.380 28 HG21 ILE 5 HG21 ILE 5 5.458 8.582 3.870 29 HG22 ILE 5 HG22 ILE 5 4.430 7.799 5.054 30 HG23 ILE 5 HG23 ILE 5 4.670 9.557 5.130 31 HD11 ILE 5 HD11 ILE 5 8.789 10.395 4.242 32 HD12 ILE 5 HD12 ILE 5 8.542 8.643 4.083 33 HD13 ILE 5 HD13 ILE 5 7.310 9.784 3.490 34 H PHE 6 H PHE 6 5.909 5.763 7.514 35 HA PHE 6 HA PHE 6 3.140 5.231 7.244 36 HB2 PHE 6 HB2 PHE 6 4.997 3.574 7.060 37 HB3 PHE 6 HB3 PHE 6 5.208 3.624 8.801 38 HD1 PHE 6 HD1 PHE 6 3.021 2.518 6.038 39 HD2 PHE 6 HD2 PHE 6 3.565 2.562 10.317 40 HE1 PHE 6 HE1 PHE 6 1.241 0.809 6.287 41 HE2 PHE 6 HE2 PHE 6 1.792 0.848 10.557 42 HZ PHE 6 HZ PHE 6 0.628 -0.030 8.552 43 H ARG 7 H ARG 7 5.026 5.590 10.240 44 HA ARG 7 HA ARG 7 2.971 5.305 12.163 45 HB2 ARG 7 HB2 ARG 7 5.361 5.088 12.547 46 HB3 ARG 7 HB3 ARG 7 5.630 6.782 12.129 47 HG2 ARG 7 HG2 ARG 7 4.526 7.536 14.151 48 HG3 ARG 7 HG3 ARG 7 4.036 5.872 14.560 49 HD2 ARG 7 HD2 ARG 7 6.347 5.199 14.822 50 HD3 ARG 7 HD3 ARG 7 6.933 6.748 14.187 51 HE ARG 7 HE ARG 7 5.562 7.660 16.262 52 HH11 ARG 7 HH11 ARG 7 7.743 4.846 16.173 53 HH12 ARG 7 HH12 ARG 7 8.298 5.091 17.814 54 HH21 ARG 7 HH21 ARG 7 6.317 7.958 18.373 55 HH22 ARG 7 HH22 ARG 7 7.493 6.858 19.059 56 H THR 8 H THR 8 3.520 7.995 10.036 57 HA THR 8 HA THR 8 1.822 9.765 11.741 58 HB THR 8 HB THR 8 2.826 11.683 10.588 59 HG1 THR 8 HG1 THR 8 4.952 10.135 9.723 60 HG21 THR 8 HG21 THR 8 4.962 9.896 11.833 61 HG22 THR 8 HG22 THR 8 3.766 10.824 12.746 62 HG23 THR 8 HG23 THR 8 4.942 11.673 11.727 63 H ARG 9 H ARG 9 1.811 8.123 8.742 64 HA ARG 9 HA ARG 9 -0.646 9.642 7.939 65 HB2 ARG 9 HB2 ARG 9 1.421 8.452 6.062 66 HB3 ARG 9 HB3 ARG 9 -0.023 9.355 5.628 67 HG2 ARG 9 HG2 ARG 9 1.070 11.257 7.145 68 HG3 ARG 9 HG3 ARG 9 2.553 10.348 6.837 69 HD2 ARG 9 HD2 ARG 9 2.470 12.020 5.168 70 HD3 ARG 9 HD3 ARG 9 1.981 10.535 4.333 71 HE ARG 9 HE ARG 9 -0.403 11.607 5.220 72 HH11 ARG 9 HH11 ARG 9 2.213 12.961 3.228 73 HH12 ARG 9 HH12 ARG 9 1.172 14.159 2.490 74 HH21 ARG 9 HH21 ARG 9 -1.705 13.166 4.279 75 HH22 ARG 9 HH22 ARG 9 -1.059 14.273 3.086 76 H CYS 10 H CYS 10 0.582 6.437 8.518 77 HA CYS 10 HA CYS 10 -1.697 5.216 6.995 78 HB2 CYS 10 HB2 CYS 10 1.111 4.190 7.398 79 HB3 CYS 10 HB3 CYS 10 -0.138 3.408 6.444 80 H SER 11 H SER 11 -0.191 5.235 10.138 81 HA SER 11 HA SER 11 -0.298 2.498 10.784 82 HB2 SER 11 HB2 SER 11 -0.193 3.335 13.162 83 HB3 SER 11 HB3 SER 11 1.050 3.962 12.069 84 HG SER 11 HG SER 11 -0.128 5.487 13.524 85 H SER 12 H SER 12 -2.865 4.931 11.282 86 HA SER 12 HA SER 12 -4.247 3.494 13.230 87 HB2 SER 12 HB2 SER 12 -5.366 5.642 11.414 88 HB3 SER 12 HB3 SER 12 -5.942 5.212 13.036 89 HG SER 12 HG SER 12 -4.563 7.055 12.937 90 H CYS 13 H CYS 13 -4.110 2.201 10.357 91 HA CYS 13 HA CYS 13 -6.816 0.879 10.435 92 HB2 CYS 13 HB2 CYS 13 -5.387 1.899 7.980 93 HB3 CYS 13 HB3 CYS 13 -6.796 0.843 7.990 94 H HIS 14 H HIS 14 -3.457 0.400 10.721 95 HA HIS 14 HA HIS 14 -3.480 -2.209 9.295 96 HB2 HIS 14 2HB HIS 14 -1.888 0.277 8.595 97 HB3 HIS 14 3HB HIS 14 -1.272 -1.315 8.183 98 HD1 HIS 14 1HD HIS 14 -3.811 -2.759 7.103 99 HD2 HIS 14 2HD HIS 14 -2.416 1.085 6.296 100 HE1 HIS 14 1HE HIS 14 -4.747 -2.194 4.814 101 H THR 15 H THR 15 -1.537 -3.249 9.217 102 HA THR 15 HA THR 15 0.395 -2.951 11.447 103 HB THR 15 HB THR 15 0.478 -5.440 11.772 104 HG1 THR 15 HG1 THR 15 -0.474 -6.308 10.112 105 HG21 THR 15 HG21 THR 15 -0.811 -3.950 13.341 106 HG22 THR 15 HG22 THR 15 -1.354 -5.632 13.282 107 HG23 THR 15 HG23 THR 15 -2.282 -4.377 12.432 108 H VAL 16 H VAL 16 2.482 -3.653 10.928 109 HA VAL 16 HA VAL 16 2.850 -4.956 8.263 110 HB VAL 16 HB VAL 16 4.922 -3.039 9.358 111 HG11 VAL 16 HG11 VAL 16 5.646 -4.853 7.768 112 HG12 VAL 16 HG12 VAL 16 4.431 -4.296 6.601 113 HG13 VAL 16 HG13 VAL 16 5.788 -3.243 7.052 114 HG21 VAL 16 HG21 VAL 16 4.179 -1.532 7.463 115 HG22 VAL 16 HG22 VAL 16 2.697 -2.503 7.368 116 HG23 VAL 16 HG23 VAL 16 3.081 -1.602 8.848 117 H GLY 17 H GLY 17 2.584 -6.822 9.310 118 HA2 GLY 17 HA2 GLY 17 3.626 -8.818 10.124 119 HA3 GLY 17 HA3 GLY 17 4.936 -7.872 10.852 120 H ASN 18 H ASN 18 1.413 -7.575 11.027 121 HA ASN 18 HA ASN 18 -0.033 -7.175 12.705 122 HB2 ASN 18 HB2 ASN 18 0.369 -9.656 12.633 123 HB3 ASN 18 HB3 ASN 18 1.308 -9.341 14.099 124 HD21 ASN 18 HD21 ASN 18 -0.439 -10.999 14.848 125 HD22 ASN 18 HD22 ASN 18 -1.943 -10.300 15.441 126 H THR 19 H THR 19 1.802 -5.260 12.917 127 HA THR 19 HA THR 19 3.172 -4.585 15.146 128 HB THR 19 HB THR 19 1.161 -2.715 13.846 129 HG1 THR 19 HG1 THR 19 3.362 -2.374 12.646 130 HG21 THR 19 HG21 THR 19 3.956 -2.228 14.952 131 HG22 THR 19 HG22 THR 19 2.447 -1.831 15.794 132 HG23 THR 19 HG23 THR 19 2.837 -1.012 14.288 133 H GLU 20 H GLU 20 2.738 -4.765 17.224 134 HA GLU 20 HA GLU 20 1.797 -4.727 19.240 135 HB2 GLU 20 HB2 GLU 20 0.410 -2.320 18.028 136 HB3 GLU 20 HB3 GLU 20 0.382 -2.683 19.741 137 HG2 GLU 20 HG2 GLU 20 2.895 -2.674 19.756 138 HG3 GLU 20 HG3 GLU 20 2.864 -2.116 18.074 139 HA PRO 21 HA PRO 21 -1.886 -6.914 19.998 140 HB2 PRO 21 HB2 PRO 21 -2.524 -5.030 22.268 141 HB3 PRO 21 HB3 PRO 21 -2.477 -6.819 22.271 142 HG2 PRO 21 HG2 PRO 21 -0.412 -5.440 23.301 143 HG3 PRO 21 HG3 PRO 21 -0.079 -6.821 22.200 144 HD2 PRO 21 HD2 PRO 21 -0.178 -3.867 21.535 145 HD3 PRO 21 HD3 PRO 21 1.090 -5.069 21.139 146 H GLY 22 H GLY 22 -4.169 -7.043 20.024 147 HA2 GLY 22 HA2 GLY 22 -6.372 -6.339 20.033 148 HA3 GLY 22 HA3 GLY 22 -5.849 -4.665 19.967 149 H GLN 23 H GLN 23 -6.594 -3.663 18.240 150 HA GLN 23 HA GLN 23 -6.282 -4.735 15.530 151 HB2 GLN 23 HB2 GLN 23 -8.477 -5.663 16.214 152 HB3 GLN 23 HB3 GLN 23 -9.040 -4.053 16.631 153 HG2 GLN 23 HG2 GLN 23 -8.794 -3.355 14.233 154 HG3 GLN 23 HG3 GLN 23 -8.198 -4.970 13.841 155 HE21 GLN 23 HE21 GLN 23 -10.097 -4.826 12.273 156 HE22 GLN 23 HE22 GLN 23 -11.630 -5.446 12.886 157 HA PRO 24 HA PRO 24 -5.667 -0.195 15.669 158 HB2 PRO 24 HB2 PRO 24 -4.043 0.098 13.487 159 HB3 PRO 24 HB3 PRO 24 -3.477 -0.480 15.074 160 HG2 PRO 24 HG2 PRO 24 -4.234 -2.127 12.649 161 HG3 PRO 24 HG3 PRO 24 -2.804 -2.307 13.716 162 HD2 PRO 24 HD2 PRO 24 -5.051 -3.845 13.975 163 HD3 PRO 24 HD3 PRO 24 -4.052 -3.372 15.382 164 H GLY 25 H GLY 25 -7.838 0.134 15.351 165 HA2 GLY 25 HA2 GLY 25 -9.710 0.958 14.336 166 HA3 GLY 25 HA3 GLY 25 -8.694 1.446 12.980 167 H ILE 26 H ILE 26 -8.089 -0.306 11.498 168 HA ILE 26 HA ILE 26 -10.521 -1.820 10.669 169 HB ILE 26 HB ILE 26 -8.228 -0.836 8.945 170 HG12 ILE 26 HG12 ILE 26 -9.188 1.169 9.795 171 HG13 ILE 26 HG13 ILE 26 -9.740 0.956 8.146 172 HG21 ILE 26 HG21 ILE 26 -9.471 -2.662 7.927 173 HG22 ILE 26 HG22 ILE 26 -11.005 -1.815 8.202 174 HG23 ILE 26 HG23 ILE 26 -9.803 -1.137 7.089 175 HD11 ILE 26 HD11 ILE 26 -11.519 1.808 9.549 176 HD12 ILE 26 HD12 ILE 26 -11.953 0.176 8.999 177 HD13 ILE 26 HD13 ILE 26 -11.369 0.446 10.663 178 H GLY 27 H GLY 27 -6.931 -2.080 10.339 179 HA2 GLY 27 HA2 GLY 27 -5.771 -3.651 11.658 180 HA3 GLY 27 HA3 GLY 27 -7.099 -4.778 11.548 181 HA PRO 28 HA PRO 28 -5.457 -6.927 8.184 182 HB2 PRO 28 HB2 PRO 28 -5.550 -6.123 5.551 183 HB3 PRO 28 HB3 PRO 28 -6.958 -6.697 6.496 184 HG2 PRO 28 HG2 PRO 28 -6.096 -3.840 5.984 185 HG3 PRO 28 HG3 PRO 28 -7.737 -4.547 5.833 186 HD2 PRO 28 HD2 PRO 28 -6.968 -3.165 8.032 187 HD3 PRO 28 HD3 PRO 28 -8.016 -4.614 8.184 188 H ASP 29 H ASP 29 -3.524 -7.667 7.453 189 HA ASP 29 HA ASP 29 -1.312 -5.906 8.087 190 HB2 ASP 29 HB2 ASP 29 -1.667 -8.163 9.097 191 HB3 ASP 29 HB3 ASP 29 -1.342 -8.896 7.517 192 H LEU 30 H LEU 30 0.642 -5.664 7.039 193 HA LEU 30 HA LEU 30 0.563 -5.913 4.057 194 HB2 LEU 30 HB2 LEU 30 2.060 -3.853 5.679 195 HB3 LEU 30 HB3 LEU 30 1.704 -3.817 3.956 196 HG LEU 30 HG LEU 30 -0.315 -3.525 6.220 197 HD11 LEU 30 HD11 LEU 30 0.766 -1.484 4.220 198 HD12 LEU 30 HD12 LEU 30 1.172 -1.578 5.947 199 HD13 LEU 30 HD13 LEU 30 -0.479 -1.189 5.464 200 HD21 LEU 30 HD21 LEU 30 -0.668 -3.246 3.184 201 HD22 LEU 30 HD22 LEU 30 -1.896 -2.830 4.405 202 HD23 LEU 30 HD23 LEU 30 -1.391 -4.503 4.198 203 H LEU 31 H LEU 31 2.300 -7.414 6.549 204 HA LEU 31 HA LEU 31 5.006 -7.096 5.536 205 HB2 LEU 31 HB2 LEU 31 4.491 -7.740 7.772 206 HB3 LEU 31 HB3 LEU 31 3.858 -9.302 7.240 207 HG LEU 31 HG LEU 31 6.593 -8.573 6.272 208 HD11 LEU 31 HD11 LEU 31 6.120 -9.210 9.195 209 HD12 LEU 31 HD12 LEU 31 6.694 -7.658 8.515 210 HD13 LEU 31 HD13 LEU 31 7.700 -9.113 8.385 211 HD21 LEU 31 HD21 LEU 31 7.093 -10.902 6.800 212 HD22 LEU 31 HD22 LEU 31 5.597 -10.798 5.858 213 HD23 LEU 31 HD23 LEU 31 5.520 -11.084 7.611 214 H GLY 32 H GLY 32 6.178 -8.328 4.147 215 HA2 GLY 32 HA2 GLY 32 6.645 -9.870 2.434 216 HA3 GLY 32 HA3 GLY 32 5.126 -10.687 2.773 217 H VAL 33 H VAL 33 4.047 -7.596 2.265 218 HA VAL 33 HA VAL 33 3.019 -8.084 -0.306 219 HB VAL 33 HB VAL 33 2.225 -6.417 1.402 220 HG11 VAL 33 HG11 VAL 33 4.396 -5.178 1.720 221 HG12 VAL 33 HG12 VAL 33 4.203 -4.500 0.089 222 HG13 VAL 33 HG13 VAL 33 3.010 -4.144 1.353 223 HG21 VAL 33 HG21 VAL 33 1.265 -4.897 -0.238 224 HG22 VAL 33 HG22 VAL 33 2.443 -5.431 -1.458 225 HG23 VAL 33 HG23 VAL 33 1.234 -6.565 -0.800 226 H THR 34 H THR 34 6.063 -6.660 0.579 227 HA THR 34 HA THR 34 7.023 -5.658 -1.907 228 HB THR 34 HB THR 34 7.910 -5.235 0.419 229 HG1 THR 34 HG1 THR 34 9.203 -4.518 -1.109 230 HG21 THR 34 HG21 THR 34 9.363 -7.892 0.054 231 HG22 THR 34 HG22 THR 34 8.001 -7.626 1.169 232 HG23 THR 34 HG23 THR 34 9.519 -6.762 1.400 233 H ARG 35 H ARG 35 6.472 -8.954 -1.048 234 HA ARG 35 HA ARG 35 7.957 -9.763 -3.512 235 HB2 ARG 35 HB2 ARG 35 8.305 -11.964 -2.645 236 HB3 ARG 35 HB3 ARG 35 9.101 -10.754 -1.644 237 HG2 ARG 35 HG2 ARG 35 7.568 -11.019 0.144 238 HG3 ARG 35 HG3 ARG 35 6.377 -11.865 -0.857 239 HD2 ARG 35 HD2 ARG 35 9.127 -13.001 -0.225 240 HD3 ARG 35 HD3 ARG 35 7.684 -13.328 0.742 241 HE ARG 35 HE ARG 35 8.323 -14.348 -1.933 242 HH11 ARG 35 HH11 ARG 35 5.717 -13.977 0.503 243 HH12 ARG 35 HH12 ARG 35 4.709 -15.191 -0.256 244 HH21 ARG 35 HH21 ARG 35 6.971 -15.875 -2.886 245 HH22 ARG 35 HH22 ARG 35 5.420 -16.268 -2.174 246 H GLN 36 H GLN 36 4.899 -10.007 -1.750 247 HA GLN 36 HA GLN 36 3.754 -11.919 -3.590 248 HB2 GLN 36 HB2 GLN 36 2.517 -9.933 -1.656 249 HB3 GLN 36 HB3 GLN 36 1.565 -11.082 -2.587 250 HG2 GLN 36 HG2 GLN 36 3.797 -11.960 -0.691 251 HG3 GLN 36 HG3 GLN 36 2.125 -11.730 -0.210 252 HE21 GLN 36 HE21 GLN 36 2.412 -14.047 0.455 253 HE22 GLN 36 HE22 GLN 36 1.890 -15.215 -0.753 254 H ARG 37 H ARG 37 4.060 -8.376 -3.791 255 HA ARG 37 HA ARG 37 2.221 -8.365 -6.162 256 HB2 ARG 37 HB2 ARG 37 2.925 -6.021 -4.384 257 HB3 ARG 37 HB3 ARG 37 1.680 -6.097 -5.628 258 HG2 ARG 37 HG2 ARG 37 1.694 -7.574 -2.964 259 HG3 ARG 37 HG3 ARG 37 0.697 -6.189 -3.398 260 HD2 ARG 37 HD2 ARG 37 -0.544 -7.507 -5.029 261 HD3 ARG 37 HD3 ARG 37 0.526 -8.895 -4.778 262 HE ARG 37 HE ARG 37 -0.823 -7.866 -2.385 263 HH11 ARG 37 HH11 ARG 37 -0.911 -10.321 -4.962 264 HH12 ARG 37 HH12 ARG 37 -1.982 -11.373 -4.060 265 HH21 ARG 37 HH21 ARG 37 -2.198 -9.251 -1.257 266 HH22 ARG 37 HH22 ARG 37 -2.715 -10.762 -1.971 267 H ASP 38 H ASP 38 2.696 -7.149 -7.983 268 HA ASP 38 HA ASP 38 5.402 -6.894 -8.852 269 HB2 ASP 38 HB2 ASP 38 3.623 -7.221 -10.435 270 HB3 ASP 38 HB3 ASP 38 2.779 -5.785 -9.905 271 H ALA 39 H ALA 39 6.873 -5.313 -8.748 272 HA ALA 39 HA ALA 39 6.620 -3.374 -6.718 273 HB1 ALA 39 HB1 ALA 39 8.718 -3.708 -8.898 274 HB2 ALA 39 HB2 ALA 39 8.924 -2.801 -7.384 275 HB3 ALA 39 HB3 ALA 39 8.684 -4.560 -7.338 276 H ASN 40 H ASN 40 5.742 -2.962 -10.078 277 HA ASN 40 HA ASN 40 5.846 0.006 -9.796 278 HB2 ASN 40 HB2 ASN 40 6.623 -1.361 -11.900 279 HB3 ASN 40 HB3 ASN 40 4.898 -1.457 -12.257 280 HD21 ASN 40 HD21 ASN 40 7.656 0.706 -11.797 281 HD22 ASN 40 HD22 ASN 40 6.900 2.106 -12.559 282 H TRP 41 H TRP 41 3.539 -2.678 -10.397 283 HA TRP 41 HA TRP 41 1.086 -1.268 -10.297 284 HB2 TRP 41 HB2 TRP 41 1.361 -3.674 -10.890 285 HB3 TRP 41 HB3 TRP 41 1.803 -4.010 -9.218 286 HD1 TRP 41 HD1 TRP 41 -1.220 -3.435 -11.406 287 HE1 TRP 41 HE1 TRP 41 -3.359 -3.952 -10.101 288 HE3 TRP 41 HE3 TRP 41 0.810 -4.078 -6.756 289 HZ2 TRP 41 HZ2 TRP 41 -4.129 -4.077 -7.282 290 HZ3 TRP 41 HZ3 TRP 41 -0.657 -4.253 -4.755 291 HH2 TRP 41 HH2 TRP 41 -3.123 -4.170 -5.010 292 H LEU 42 H LEU 42 3.014 -2.617 -7.567 293 HA LEU 42 HA LEU 42 1.160 -1.938 -5.535 294 HB2 LEU 42 HB2 LEU 42 3.012 -3.579 -5.319 295 HB3 LEU 42 HB3 LEU 42 4.191 -2.272 -5.419 296 HG LEU 42 HG LEU 42 3.296 -1.325 -3.282 297 HD11 LEU 42 HD11 LEU 42 1.853 -2.771 -1.864 298 HD12 LEU 42 HD12 LEU 42 1.577 -3.832 -3.261 299 HD13 LEU 42 HD13 LEU 42 1.008 -2.148 -3.290 300 HD21 LEU 42 HD21 LEU 42 5.218 -2.882 -3.302 301 HD22 LEU 42 HD22 LEU 42 4.113 -4.254 -3.105 302 HD23 LEU 42 HD23 LEU 42 4.259 -3.026 -1.821 303 H VAL 43 H VAL 43 3.865 -0.061 -6.880 304 HA VAL 43 HA VAL 43 3.575 2.162 -5.031 305 HB VAL 43 HB VAL 43 5.148 1.733 -7.590 306 HG11 VAL 43 HG11 VAL 43 5.155 4.221 -5.836 307 HG12 VAL 43 HG12 VAL 43 6.394 3.822 -7.039 308 HG13 VAL 43 HG13 VAL 43 4.742 4.130 -7.565 309 HG21 VAL 43 HG21 VAL 43 5.985 2.098 -4.663 310 HG22 VAL 43 HG22 VAL 43 5.875 0.546 -5.513 311 HG23 VAL 43 HG23 VAL 43 7.057 1.747 -6.030 312 H ARG 44 H ARG 44 2.285 1.477 -8.277 313 HA ARG 44 HA ARG 44 0.870 3.973 -8.546 314 HB2 ARG 44 HB2 ARG 44 1.199 2.437 -10.423 315 HB3 ARG 44 HB3 ARG 44 0.204 1.215 -9.640 316 HG2 ARG 44 HG2 ARG 44 -1.070 2.341 -11.372 317 HG3 ARG 44 HG3 ARG 44 -1.777 2.693 -9.794 318 HD2 ARG 44 HD2 ARG 44 -0.680 4.919 -9.789 319 HD3 ARG 44 HD3 ARG 44 0.065 4.553 -11.359 320 HE ARG 44 HE ARG 44 -2.750 4.196 -11.554 321 HH11 ARG 44 HH11 ARG 44 -0.395 6.849 -11.197 322 HH12 ARG 44 HH12 ARG 44 -1.436 8.019 -11.977 323 HH21 ARG 44 HH21 ARG 44 -4.074 5.761 -12.557 324 HH22 ARG 44 HH22 ARG 44 -3.508 7.406 -12.734 325 H TRP 45 H TRP 45 -0.191 0.806 -7.238 326 HA TRP 45 HA TRP 45 -2.807 1.541 -6.476 327 HB2 TRP 45 HB2 TRP 45 -2.130 -0.772 -6.654 328 HB3 TRP 45 HB3 TRP 45 -0.882 -0.566 -5.439 329 HD1 TRP 45 HD1 TRP 45 -1.466 -1.615 -3.267 330 HE1 TRP 45 HE1 TRP 45 -3.592 -2.125 -1.903 331 HE3 TRP 45 HE3 TRP 45 -4.961 0.472 -6.367 332 HZ2 TRP 45 HZ2 TRP 45 -6.432 -1.635 -2.101 333 HZ3 TRP 45 HZ3 TRP 45 -7.373 0.448 -5.744 334 HH2 TRP 45 HH2 TRP 45 -8.104 -0.605 -3.616 335 H LEU 46 H LEU 46 0.119 1.494 -4.336 336 HA LEU 46 HA LEU 46 -1.530 2.450 -2.176 337 HB2 LEU 46 HB2 LEU 46 -0.042 1.649 -0.842 338 HB3 LEU 46 HB3 LEU 46 0.691 0.928 -2.268 339 HG LEU 46 HG LEU 46 1.627 3.526 -0.980 340 HD11 LEU 46 HD11 LEU 46 2.783 0.696 -0.889 341 HD12 LEU 46 HD12 LEU 46 1.954 1.496 0.453 342 HD13 LEU 46 HD13 LEU 46 3.488 2.149 -0.147 343 HD21 LEU 46 HD21 LEU 46 2.214 3.282 -3.411 344 HD22 LEU 46 HD22 LEU 46 2.900 1.683 -3.043 345 HD23 LEU 46 HD23 LEU 46 3.640 3.134 -2.356 346 H LYS 47 H LYS 47 0.080 4.223 -4.625 347 HA LYS 47 HA LYS 47 -0.012 6.782 -3.190 348 HB2 LYS 47 HB2 LYS 47 1.498 6.413 -5.160 349 HB3 LYS 47 HB3 LYS 47 0.079 6.239 -6.193 350 HG2 LYS 47 HG2 LYS 47 -0.660 8.553 -5.512 351 HG3 LYS 47 HG3 LYS 47 0.772 8.689 -4.502 352 HD2 LYS 47 HD2 LYS 47 1.116 9.922 -6.520 353 HD3 LYS 47 HD3 LYS 47 2.188 8.516 -6.566 354 HE2 LYS 47 HE2 LYS 47 0.682 7.358 -8.113 355 HE3 LYS 47 HE3 LYS 47 -0.549 8.627 -7.920 356 HZ1 LYS 47 HZ1 LYS 47 0.959 10.189 -8.948 357 HZ2 LYS 47 HZ2 LYS 47 0.716 8.932 -9.964 358 HZ3 LYS 47 HZ3 LYS 47 2.133 9.046 -9.106 359 H VAL 48 H VAL 48 -2.052 5.237 -5.723 360 HA VAL 48 HA VAL 48 -4.242 7.174 -5.067 361 HB VAL 48 HB VAL 48 -2.690 8.041 -6.729 362 HG11 VAL 48 HG11 VAL 48 -2.000 6.019 -7.928 363 HG12 VAL 48 HG12 VAL 48 -3.612 5.902 -8.666 364 HG13 VAL 48 HG13 VAL 48 -2.580 7.298 -8.996 365 HG21 VAL 48 HG21 VAL 48 -4.449 8.652 -8.440 366 HG22 VAL 48 HG22 VAL 48 -5.545 7.604 -7.521 367 HG23 VAL 48 HG23 VAL 48 -4.798 9.007 -6.755 368 HA PRO 49 HA PRO 49 -5.885 2.833 -5.536 369 HB2 PRO 49 HB2 PRO 49 -7.179 2.593 -3.146 370 HB3 PRO 49 HB3 PRO 49 -5.412 2.356 -3.302 371 HG2 PRO 49 HG2 PRO 49 -6.872 4.896 -2.480 372 HG3 PRO 49 HG3 PRO 49 -5.538 4.066 -1.615 373 HD2 PRO 49 HD2 PRO 49 -5.038 6.141 -3.277 374 HD3 PRO 49 HD3 PRO 49 -3.949 4.726 -3.231 375 H ASP 50 H ASP 50 -7.205 5.972 -5.192 376 HA ASP 50 HA ASP 50 -10.016 5.253 -5.648 377 HB2 ASP 50 HB2 ASP 50 -10.340 7.661 -5.698 378 HB3 ASP 50 HB3 ASP 50 -9.491 7.148 -4.245 379 H GLN 51 H GLN 51 -7.267 6.647 -7.540 380 HA GLN 51 HA GLN 51 -8.830 6.745 -9.967 381 HB2 GLN 51 HB2 GLN 51 -6.881 8.242 -9.454 382 HB3 GLN 51 HB3 GLN 51 -5.818 6.829 -9.599 383 HG2 GLN 51 HG2 GLN 51 -5.758 8.118 -11.626 384 HG3 GLN 51 HG3 GLN 51 -6.439 6.523 -11.928 385 HE21 GLN 51 HE21 GLN 51 -7.427 7.390 -13.949 386 HE22 GLN 51 HE22 GLN 51 -8.887 8.381 -13.783 387 H MET 52 H MET 52 -6.441 4.332 -8.644 388 HA MET 52 HA MET 52 -6.363 2.707 -10.977 389 HB2 MET 52 HB2 MET 52 -4.925 2.451 -8.898 390 HB3 MET 52 HB3 MET 52 -6.340 1.859 -8.029 391 HG2 MET 52 HG2 MET 52 -5.341 -0.133 -8.573 392 HG3 MET 52 HG3 MET 52 -6.429 0.030 -9.934 393 HE1 MET 52 HE1 MET 52 -2.783 0.681 -8.654 394 HE2 MET 52 HE2 MET 52 -3.105 -1.052 -8.895 395 HE3 MET 52 HE3 MET 52 -1.898 -0.230 -9.906 396 H LEU 53 H LEU 53 -8.778 2.666 -8.281 397 HA LEU 53 HA LEU 53 -10.227 0.458 -9.402 398 HB2 LEU 53 HB2 LEU 53 -10.148 1.050 -7.003 399 HB3 LEU 53 HB3 LEU 53 -11.109 2.492 -7.334 400 HG LEU 53 HG LEU 53 -13.022 1.128 -7.995 401 HD11 LEU 53 HD11 LEU 53 -11.993 -0.830 -9.043 402 HD12 LEU 53 HD12 LEU 53 -12.989 -1.365 -7.701 403 HD13 LEU 53 HD13 LEU 53 -11.227 -1.299 -7.504 404 HD21 LEU 53 HD21 LEU 53 -12.655 1.586 -5.582 405 HD22 LEU 53 HD22 LEU 53 -11.787 0.042 -5.426 406 HD23 LEU 53 HD23 LEU 53 -13.512 0.062 -5.848 407 H ALA 54 H ALA 54 -10.278 3.892 -10.089 408 HA ALA 54 HA ALA 54 -12.789 3.842 -11.590 409 HB1 ALA 54 HB1 ALA 54 -12.169 6.136 -12.162 410 HB2 ALA 54 HB2 ALA 54 -11.913 5.883 -10.428 411 HB3 ALA 54 HB3 ALA 54 -10.533 5.902 -11.537 412 H GLU 55 H GLU 55 -9.305 3.871 -12.393 413 HA GLU 55 HA GLU 55 -9.688 4.017 -15.200 414 HB2 GLU 55 HB2 GLU 55 -7.463 4.285 -15.319 415 HB3 GLU 55 HB3 GLU 55 -7.672 4.686 -13.646 416 HG2 GLU 55 HG2 GLU 55 -6.889 2.216 -13.185 417 HG3 GLU 55 HG3 GLU 55 -6.520 2.171 -14.896 418 H LYS 56 H LYS 56 -9.604 1.374 -13.101 419 HA LYS 56 HA LYS 56 -9.821 -0.840 -13.191 420 HB2 LYS 56 HB2 LYS 56 -10.450 -0.784 -16.140 421 HB3 LYS 56 HB3 LYS 56 -10.895 -1.995 -14.949 422 HG2 LYS 56 HG2 LYS 56 -12.009 0.830 -15.209 423 HG3 LYS 56 HG3 LYS 56 -12.831 -0.670 -15.609 424 HD2 LYS 56 HD2 LYS 56 -12.933 -1.323 -13.254 425 HD3 LYS 56 HD3 LYS 56 -11.960 0.087 -12.788 426 HE2 LYS 56 HE2 LYS 56 -13.717 1.595 -13.710 427 HE3 LYS 56 HE3 LYS 56 -14.728 0.185 -14.075 428 HZ1 LYS 56 HZ1 LYS 56 -13.771 0.934 -11.368 429 HZ2 LYS 56 HZ2 LYS 56 -14.782 -0.321 -11.707 430 HZ3 LYS 56 HZ3 LYS 56 -15.290 1.222 -11.923 431 H ASP 57 H ASP 57 -8.202 -2.202 -12.949 432 HA ASP 57 HA ASP 57 -6.249 -2.688 -15.012 433 HB2 ASP 57 HB2 ASP 57 -5.387 -0.639 -13.681 434 HB3 ASP 57 HB3 ASP 57 -5.150 -1.767 -12.350 435 HA PRO 58 HA PRO 58 -7.176 -6.446 -12.832 436 HB2 PRO 58 HB2 PRO 58 -5.339 -8.156 -13.948 437 HB3 PRO 58 HB3 PRO 58 -6.843 -7.560 -14.738 438 HG2 PRO 58 HG2 PRO 58 -4.057 -6.367 -15.002 439 HG3 PRO 58 HG3 PRO 58 -5.162 -6.902 -16.324 440 HD2 PRO 58 HD2 PRO 58 -5.010 -4.347 -15.536 441 HD3 PRO 58 HD3 PRO 58 -6.619 -5.067 -15.857 442 H LEU 59 H LEU 59 -5.827 -8.262 -11.610 443 HA LEU 59 HA LEU 59 -5.399 -8.623 -9.556 444 HB2 LEU 59 HB2 LEU 59 -3.122 -8.361 -10.407 445 HB3 LEU 59 HB3 LEU 59 -3.102 -6.680 -9.874 446 HG LEU 59 HG LEU 59 -3.220 -7.320 -7.552 447 HD11 LEU 59 HD11 LEU 59 -3.051 -9.740 -6.878 448 HD12 LEU 59 HD12 LEU 59 -3.442 -10.200 -8.546 449 HD13 LEU 59 HD13 LEU 59 -4.627 -9.320 -7.551 450 HD21 LEU 59 HD21 LEU 59 -1.070 -7.312 -8.765 451 HD22 LEU 59 HD22 LEU 59 -1.308 -9.019 -9.196 452 HD23 LEU 59 HD23 LEU 59 -1.050 -8.560 -7.489 453 H ALA 60 H ALA 60 -5.813 -5.058 -10.091 454 HA ALA 60 HA ALA 60 -6.277 -4.652 -7.250 455 HB1 ALA 60 HB1 ALA 60 -7.152 -2.454 -7.934 456 HB2 ALA 60 HB2 ALA 60 -5.534 -2.806 -8.595 457 HB3 ALA 60 HB3 ALA 60 -6.967 -2.927 -9.634 458 H MET 61 H MET 61 -8.609 -5.094 -9.976 459 HA MET 61 HA MET 61 -10.919 -4.585 -8.301 460 HB2 MET 61 HB2 MET 61 -11.090 -6.359 -10.732 461 HB3 MET 61 HB3 MET 61 -12.237 -5.162 -10.152 462 HG2 MET 61 HG2 MET 61 -9.605 -4.529 -11.559 463 HG3 MET 61 HG3 MET 61 -11.161 -4.683 -12.327 464 HE1 MET 61 HE1 MET 61 -8.662 -2.538 -10.923 465 HE2 MET 61 HE2 MET 61 -9.409 -1.002 -10.518 466 HE3 MET 61 HE3 MET 61 -9.502 -2.353 -9.360 467 H LEU 62 H LEU 62 -9.059 -7.445 -8.965 468 HA LEU 62 HA LEU 62 -10.637 -9.383 -7.546 469 HB2 LEU 62 HB2 LEU 62 -8.901 -9.827 -9.268 470 HB3 LEU 62 HB3 LEU 62 -7.706 -9.059 -8.210 471 HG LEU 62 HG LEU 62 -7.946 -10.842 -6.564 472 HD11 LEU 62 HD11 LEU 62 -9.208 -12.913 -7.113 473 HD12 LEU 62 HD12 LEU 62 -9.868 -12.122 -8.563 474 HD13 LEU 62 HD13 LEU 62 -10.281 -11.523 -6.943 475 HD21 LEU 62 HD21 LEU 62 -7.497 -11.904 -9.375 476 HD22 LEU 62 HD22 LEU 62 -6.914 -12.649 -7.869 477 HD23 LEU 62 HD23 LEU 62 -6.289 -11.069 -8.373 478 H LEU 63 H LEU 63 -7.740 -7.329 -6.623 479 HA LEU 63 HA LEU 63 -7.363 -8.829 -4.209 480 HB2 LEU 63 HB2 LEU 63 -5.588 -7.876 -5.450 481 HB3 LEU 63 HB3 LEU 63 -6.202 -6.232 -5.271 482 HG LEU 63 HG LEU 63 -5.372 -7.848 -2.831 483 HD11 LEU 63 HD11 LEU 63 -3.644 -6.334 -4.821 484 HD12 LEU 63 HD12 LEU 63 -3.521 -8.030 -4.361 485 HD13 LEU 63 HD13 LEU 63 -3.105 -6.765 -3.180 486 HD21 LEU 63 HD21 LEU 63 -5.315 -4.859 -3.498 487 HD22 LEU 63 HD22 LEU 63 -4.734 -5.595 -1.984 488 HD23 LEU 63 HD23 LEU 63 -6.448 -5.645 -2.381 489 H PHE 64 H PHE 64 -8.974 -5.772 -4.901 490 HA PHE 64 HA PHE 64 -9.206 -5.108 -2.049 491 HB2 PHE 64 HB2 PHE 64 -10.080 -3.151 -2.607 492 HB3 PHE 64 HB3 PHE 64 -9.344 -3.508 -4.151 493 HD1 PHE 64 HD2 PHE 64 -10.875 -4.543 -5.988 494 HD2 PHE 64 HD1 PHE 64 -12.384 -2.743 -2.383 495 HE1 PHE 64 HE2 PHE 64 -13.081 -4.250 -7.071 496 HE2 PHE 64 HE1 PHE 64 -14.607 -2.470 -3.461 497 HZ PHE 64 HZ PHE 64 -14.955 -3.237 -5.799 498 H GLU 65 H GLU 65 -11.323 -6.826 -4.346 499 HA GLU 65 HA GLU 65 -13.482 -7.272 -2.527 500 HB2 GLU 65 HB2 GLU 65 -12.466 -8.955 -4.842 501 HB3 GLU 65 HB3 GLU 65 -13.893 -9.356 -3.880 502 HG2 GLU 65 HG2 GLU 65 -14.849 -7.102 -4.417 503 HG3 GLU 65 HG3 GLU 65 -13.519 -6.856 -5.551 504 H GLN 66 H GLN 66 -10.272 -8.539 -2.229 505 HA GLN 66 HA GLN 66 -11.145 -10.882 -0.692 506 HB2 GLN 66 HB2 GLN 66 -8.327 -9.746 -0.896 507 HB3 GLN 66 HB3 GLN 66 -8.800 -11.354 -0.392 508 HG2 GLN 66 HG2 GLN 66 -8.804 -10.198 -3.171 509 HG3 GLN 66 HG3 GLN 66 -7.898 -11.572 -2.568 510 HE21 GLN 66 HE21 GLN 66 -10.400 -10.796 -4.525 511 HE22 GLN 66 HE22 GLN 66 -11.279 -12.319 -4.464 512 H TYR 67 H TYR 67 -10.851 -7.637 0.053 513 HA TYR 67 HA TYR 67 -10.513 -8.185 2.976 514 HB2 TYR 67 HB2 TYR 67 -9.807 -5.744 1.320 515 HB3 TYR 67 HB3 TYR 67 -9.737 -5.813 3.078 516 HD1 TYR 67 HD2 TYR 67 -8.310 -7.622 4.195 517 HD2 TYR 67 HD1 TYR 67 -7.888 -6.510 0.049 518 HE1 TYR 67 HE2 TYR 67 -5.995 -8.486 4.201 519 HE2 TYR 67 HE1 TYR 67 -5.528 -7.291 0.076 520 HH TYR 67 HH TYR 67 -3.806 -8.014 1.393 521 H ASN 68 H ASN 68 -12.962 -8.707 2.035 522 HA ASN 68 HA ASN 68 -15.131 -8.179 1.858 523 HB2 ASN 68 HB2 ASN 68 -14.659 -8.121 4.329 524 HB3 ASN 68 HB3 ASN 68 -14.611 -6.360 4.222 525 HD21 ASN 68 HD21 ASN 68 -16.338 -6.258 5.706 526 HD22 ASN 68 HD22 ASN 68 -17.981 -6.722 5.280 527 H ARG 69 H ARG 69 -13.577 -6.693 0.073 528 HA ARG 69 HA ARG 69 -13.613 -4.960 -1.386 529 HB2 ARG 69 HB2 ARG 69 -15.671 -4.692 -2.567 530 HB3 ARG 69 HB3 ARG 69 -15.420 -6.372 -2.117 531 HG2 ARG 69 HG2 ARG 69 -17.090 -6.221 -0.339 532 HG3 ARG 69 HG3 ARG 69 -17.309 -4.484 -0.647 533 HD2 ARG 69 HD2 ARG 69 -18.066 -5.013 -2.955 534 HD3 ARG 69 HD3 ARG 69 -17.863 -6.744 -2.614 535 HE ARG 69 HE ARG 69 -19.552 -5.522 -0.648 536 HH11 ARG 69 HH11 ARG 69 -19.630 -6.634 -4.038 537 HH12 ARG 69 HH12 ARG 69 -21.363 -6.887 -4.023 538 HH21 ARG 69 HH21 ARG 69 -21.796 -5.886 -0.670 539 HH22 ARG 69 HH22 ARG 69 -22.581 -6.484 -2.116 540 H LEU 70 H LEU 70 -13.272 -3.880 1.183 541 HA LEU 70 HA LEU 70 -15.029 -1.707 1.727 542 HB2 LEU 70 HB2 LEU 70 -13.745 -2.953 3.386 543 HB3 LEU 70 HB3 LEU 70 -12.229 -2.369 2.707 544 HG LEU 70 HG LEU 70 -12.659 -0.117 3.480 545 HD11 LEU 70 HD11 LEU 70 -14.638 0.448 4.864 546 HD12 LEU 70 HD12 LEU 70 -15.345 -1.146 4.519 547 HD13 LEU 70 HD13 LEU 70 -15.125 0.048 3.222 548 HD21 LEU 70 HD21 LEU 70 -13.404 -2.042 5.716 549 HD22 LEU 70 HD22 LEU 70 -12.597 -0.462 5.867 550 HD23 LEU 70 HD23 LEU 70 -11.763 -1.824 5.098 551 H ALA 71 H ALA 71 -11.995 -1.767 -0.107 552 HA ALA 71 HA ALA 71 -11.106 -0.404 -1.618 553 HB1 ALA 71 HB1 ALA 71 -12.445 1.207 -2.856 554 HB2 ALA 71 HB2 ALA 71 -13.319 -0.322 -2.652 555 HB3 ALA 71 HB3 ALA 71 -13.749 1.088 -1.661 556 H MET 72 H MET 72 -9.533 0.189 -0.228 557 HA MET 72 HA MET 72 -9.388 2.065 1.739 558 HB2 MET 72 HB2 MET 72 -7.569 0.609 1.258 559 HB3 MET 72 HB3 MET 72 -7.380 1.232 -0.382 560 HG2 MET 72 HG2 MET 72 -6.534 3.323 0.395 561 HG3 MET 72 HG3 MET 72 -6.876 2.927 2.085 562 HE1 MET 72 HE1 MET 72 -4.234 3.927 0.259 563 HE2 MET 72 HE2 MET 72 -4.249 4.066 2.029 564 HE3 MET 72 HE3 MET 72 -2.909 3.232 1.203 565 HA PRO 73 HA PRO 73 -9.782 6.067 -0.365 566 HB2 PRO 73 HB2 PRO 73 -9.290 7.740 1.715 567 HB3 PRO 73 HB3 PRO 73 -10.801 6.779 1.606 568 HG2 PRO 73 HG2 PRO 73 -8.279 6.115 3.168 569 HG3 PRO 73 HG3 PRO 73 -9.977 6.098 3.748 570 HD2 PRO 73 HD2 PRO 73 -8.713 3.841 2.893 571 HD3 PRO 73 HD3 PRO 73 -10.454 4.117 2.613 572 H ASN 74 H ASN 74 -8.397 7.661 -1.141 573 HA ASN 74 HA ASN 74 -5.523 7.149 -1.104 574 HB2 ASN 74 HB2 ASN 74 -6.710 7.840 -3.089 575 HB3 ASN 74 HB3 ASN 74 -7.278 9.317 -2.342 576 HD21 ASN 74 HD21 ASN 74 -5.815 9.010 -4.800 577 HD22 ASN 74 HD22 ASN 74 -4.324 9.959 -4.569 578 H MET 75 H MET 75 -3.962 8.152 0.045 579 HA MET 75 HA MET 75 -4.862 9.874 2.302 580 HB2 MET 75 HB2 MET 75 -2.443 8.076 2.027 581 HB3 MET 75 HB3 MET 75 -2.841 9.030 3.455 582 HG2 MET 75 HG2 MET 75 -4.428 6.730 2.267 583 HG3 MET 75 HG3 MET 75 -3.543 6.747 3.785 584 HE1 MET 75 HE1 MET 75 -5.801 9.072 6.047 585 HE2 MET 75 HE2 MET 75 -4.279 8.162 5.934 586 HE3 MET 75 HE3 MET 75 -4.486 9.668 5.014 587 H ARG 76 H ARG 76 -3.776 10.680 -0.557 588 HA ARG 76 HA ARG 76 -2.769 12.472 -1.470 589 HB2 ARG 76 HB2 ARG 76 -3.801 13.680 1.109 590 HB3 ARG 76 HB3 ARG 76 -3.060 14.637 -0.168 591 HG2 ARG 76 HG2 ARG 76 -5.345 14.818 -0.532 592 HG3 ARG 76 HG3 ARG 76 -4.725 13.772 -1.806 593 HD2 ARG 76 HD2 ARG 76 -5.667 11.797 -0.680 594 HD3 ARG 76 HD3 ARG 76 -6.164 12.803 0.700 595 HE ARG 76 HE ARG 76 -7.190 13.662 -1.903 596 HH11 ARG 76 HH11 ARG 76 -7.891 11.605 0.934 597 HH12 ARG 76 HH12 ARG 76 -9.615 11.596 0.617 598 HH21 ARG 76 HH21 ARG 76 -9.437 13.616 -2.252 599 HH22 ARG 76 HH22 ARG 76 -10.479 12.732 -1.154 600 H LEU 77 H LEU 77 -0.772 11.123 -1.178 601 HA LEU 77 HA LEU 77 1.382 12.769 0.044 602 HB2 LEU 77 HB2 LEU 77 2.597 10.816 0.703 603 HB3 LEU 77 HB3 LEU 77 1.059 10.886 1.535 604 HG LEU 77 HG LEU 77 1.278 9.185 -0.974 605 HD11 LEU 77 HD11 LEU 77 2.010 7.297 0.413 606 HD12 LEU 77 HD12 LEU 77 2.206 8.388 1.810 607 HD13 LEU 77 HD13 LEU 77 3.233 8.575 0.366 608 HD21 LEU 77 HD21 LEU 77 -0.303 7.745 0.292 609 HD22 LEU 77 HD22 LEU 77 -0.941 9.370 0.099 610 HD23 LEU 77 HD23 LEU 77 -0.243 8.892 1.657 611 H GLY 78 H GLY 78 3.458 12.643 -0.916 612 HA2 GLY 78 HA2 GLY 78 3.165 12.481 -3.870 613 HA3 GLY 78 HA3 GLY 78 4.254 13.534 -2.996 614 H ASP 79 H ASP 79 5.311 12.470 -5.047 615 HA ASP 79 HA ASP 79 6.126 9.987 -5.488 616 HB2 ASP 79 HB2 ASP 79 6.668 11.913 -6.894 617 HB3 ASP 79 HB3 ASP 79 7.890 12.453 -5.746 618 H ALA 80 H ALA 80 8.271 12.046 -3.400 619 HA ALA 80 HA ALA 80 9.999 9.820 -2.802 620 HB1 ALA 80 HB1 ALA 80 10.791 12.144 -2.857 621 HB2 ALA 80 HB2 ALA 80 9.762 12.539 -1.459 622 HB3 ALA 80 HB3 ALA 80 11.108 11.400 -1.283 623 H GLU 81 H GLU 81 7.079 11.003 -1.202 624 HA GLU 81 HA GLU 81 7.534 9.597 1.328 625 HB2 GLU 81 HB2 GLU 81 4.975 10.677 0.064 626 HB3 GLU 81 HB3 GLU 81 5.090 9.994 1.680 627 HG2 GLU 81 HG2 GLU 81 6.569 11.790 2.405 628 HG3 GLU 81 HG3 GLU 81 6.613 12.468 0.776 629 H VAL 82 H VAL 82 5.744 8.949 -1.693 630 HA VAL 82 HA VAL 82 4.740 6.355 -0.927 631 HB VAL 82 HB VAL 82 5.285 7.537 -3.687 632 HG11 VAL 82 HG11 VAL 82 4.980 5.024 -3.690 633 HG12 VAL 82 HG12 VAL 82 3.414 5.280 -2.888 634 HG13 VAL 82 HG13 VAL 82 3.695 5.895 -4.531 635 HG21 VAL 82 HG21 VAL 82 3.612 8.847 -2.308 636 HG22 VAL 82 HG22 VAL 82 2.908 8.081 -3.725 637 HG23 VAL 82 HG23 VAL 82 2.666 7.367 -2.114 638 H SER 83 H SER 83 7.695 7.323 -2.766 639 HA SER 83 HA SER 83 8.646 4.599 -3.002 640 HB2 SER 83 HB2 SER 83 9.862 7.328 -3.441 641 HB3 SER 83 HB3 SER 83 10.906 5.900 -3.348 642 HG SER 83 HG SER 83 8.719 6.276 -5.143 643 H ALA 84 H ALA 84 9.020 6.985 -0.378 644 HA ALA 84 HA ALA 84 10.971 5.469 1.123 645 HB1 ALA 84 HB1 ALA 84 10.073 6.867 3.023 646 HB2 ALA 84 HB2 ALA 84 10.563 7.827 1.623 647 HB3 ALA 84 HB3 ALA 84 8.848 7.512 1.932 648 H LEU 85 H LEU 85 7.373 5.518 1.150 649 HA LEU 85 HA LEU 85 7.051 3.567 3.210 650 HB2 LEU 85 HB2 LEU 85 5.342 4.586 0.912 651 HB3 LEU 85 HB3 LEU 85 4.747 3.312 1.963 652 HG LEU 85 HG LEU 85 5.739 5.984 3.062 653 HD11 LEU 85 HD11 LEU 85 2.920 5.103 2.320 654 HD12 LEU 85 HD12 LEU 85 3.894 6.367 1.540 655 HD13 LEU 85 HD13 LEU 85 3.340 6.584 3.208 656 HD21 LEU 85 HD21 LEU 85 4.038 3.744 4.238 657 HD22 LEU 85 HD22 LEU 85 4.295 5.328 4.994 658 HD23 LEU 85 HD23 LEU 85 5.665 4.240 4.764 659 H ILE 86 H ILE 86 7.721 3.129 -0.207 660 HA ILE 86 HA ILE 86 7.105 0.303 -0.294 661 HB ILE 86 HB ILE 86 7.735 2.239 -2.204 662 HG12 ILE 86 HG12 ILE 86 7.308 0.280 -3.747 663 HG13 ILE 86 HG13 ILE 86 7.301 -0.781 -2.351 664 HG21 ILE 86 HG21 ILE 86 10.161 1.739 -2.068 665 HG22 ILE 86 HG22 ILE 86 9.811 0.031 -2.433 666 HG23 ILE 86 HG23 ILE 86 9.448 1.296 -3.616 667 HD11 ILE 86 HD11 ILE 86 5.514 1.678 -2.443 668 HD12 ILE 86 HD12 ILE 86 5.019 0.145 -3.198 669 HD13 ILE 86 HD13 ILE 86 5.313 0.223 -1.454 670 H SER 87 H SER 87 10.002 2.223 0.384 671 HA SER 87 HA SER 87 11.796 0.016 0.814 672 HB2 SER 87 HB2 SER 87 11.959 2.898 1.770 673 HB3 SER 87 HB3 SER 87 13.298 1.735 1.680 674 HG SER 87 HG SER 87 12.861 3.299 -0.171 675 H TYR 88 H TYR 88 9.675 1.930 3.063 676 HA TYR 88 HA TYR 88 10.608 0.483 5.401 677 HB2 TYR 88 HB2 TYR 88 9.337 2.451 5.730 678 HB3 TYR 88 HB3 TYR 88 7.968 1.840 4.802 679 HD1 TYR 88 HD1 TYR 88 10.050 0.512 7.687 680 HD2 TYR 88 HD2 TYR 88 6.112 1.431 6.179 681 HE1 TYR 88 HE1 TYR 88 9.034 -0.489 9.721 682 HE2 TYR 88 HE2 TYR 88 5.109 0.450 8.241 683 HH TYR 88 HH TYR 88 7.069 -1.282 10.664 684 H LEU 89 H LEU 89 7.965 -0.290 3.098 685 HA LEU 89 HA LEU 89 7.135 -2.719 4.371 686 HB2 LEU 89 HB2 LEU 89 6.999 -1.733 1.492 687 HB3 LEU 89 HB3 LEU 89 6.221 -3.216 2.028 688 HG LEU 89 HG LEU 89 5.592 -0.503 3.278 689 HD11 LEU 89 HD11 LEU 89 4.144 -1.967 1.031 690 HD12 LEU 89 HD12 LEU 89 5.033 -0.436 0.893 691 HD13 LEU 89 HD13 LEU 89 3.567 -0.505 1.874 692 HD21 LEU 89 HD21 LEU 89 4.965 -2.390 4.676 693 HD22 LEU 89 HD22 LEU 89 4.135 -3.165 3.310 694 HD23 LEU 89 HD23 LEU 89 3.525 -1.634 3.987 695 H GLU 90 H GLU 90 9.840 -2.109 2.170 696 HA GLU 90 HA GLU 90 10.498 -4.917 1.788 697 HB2 GLU 90 HB2 GLU 90 11.161 -3.156 0.205 698 HB3 GLU 90 HB3 GLU 90 12.211 -2.426 1.424 699 HG2 GLU 90 HG2 GLU 90 13.634 -4.392 1.473 700 HG3 GLU 90 HG3 GLU 90 12.498 -5.303 0.468 701 H GLU 91 H GLU 91 11.877 -2.361 3.966 702 HA GLU 91 HA GLU 91 13.721 -4.229 5.160 703 HB2 GLU 91 HB2 GLU 91 12.768 -1.469 6.021 704 HB3 GLU 91 HB3 GLU 91 13.956 -2.422 6.928 705 HG2 GLU 91 HG2 GLU 91 15.383 -2.586 4.896 706 HG3 GLU 91 HG3 GLU 91 14.240 -1.561 4.023 707 H GLU 92 H GLU 92 10.476 -3.101 6.314 708 HA GLU 92 HA GLU 92 10.709 -4.438 8.856 709 HB2 GLU 92 HB2 GLU 92 8.993 -2.648 8.096 710 HB3 GLU 92 HB3 GLU 92 8.117 -3.985 7.359 711 HG2 GLU 92 HG2 GLU 92 7.090 -3.791 9.427 712 HG3 GLU 92 HG3 GLU 92 8.229 -5.082 9.756 713 H THR 93 H THR 93 9.742 -5.609 5.666 714 HA THR 93 HA THR 93 8.657 -8.132 6.474 715 HB THR 93 HB THR 93 9.949 -7.234 3.880 716 HG1 THR 93 HG1 THR 93 8.106 -6.235 3.949 717 HG21 THR 93 HG21 THR 93 10.052 -9.667 3.945 718 HG22 THR 93 HG22 THR 93 8.810 -9.139 2.821 719 HG23 THR 93 HG23 THR 93 8.344 -9.763 4.427 720 H ALA 94 H ALA 94 12.037 -7.134 5.992 721 HA ALA 94 HA ALA 94 13.027 -9.862 6.535 722 HB1 ALA 94 HB1 ALA 94 14.456 -7.191 6.199 723 HB2 ALA 94 HB2 ALA 94 15.245 -8.774 6.376 724 HB3 ALA 94 HB3 ALA 94 14.234 -8.448 4.959 725 H ARG 95 H ARG 95 12.697 -6.771 8.308 726 HA ARG 95 HA ARG 95 14.235 -7.613 10.580 727 HB2 ARG 95 HB2 ARG 95 12.273 -5.339 10.172 728 HB3 ARG 95 HB3 ARG 95 13.202 -5.565 11.664 729 HG2 ARG 95 HG2 ARG 95 15.315 -5.393 10.472 730 HG3 ARG 95 HG3 ARG 95 14.496 -5.287 8.913 731 HD2 ARG 95 HD2 ARG 95 13.380 -3.180 9.656 732 HD3 ARG 95 HD3 ARG 95 14.288 -3.260 11.177 733 HE ARG 95 HE ARG 95 15.236 -2.439 8.554 734 HH11 ARG 95 HH11 ARG 95 16.367 -3.706 11.694 735 HH12 ARG 95 HH12 ARG 95 17.998 -3.101 11.453 736 HH21 ARG 95 HH21 ARG 95 17.326 -1.678 8.297 737 HH22 ARG 95 HH22 ARG 95 18.535 -1.947 9.537 738 H LEU 96 H LEU 96 10.730 -7.834 9.980 739 HA LEU 96 HA LEU 96 10.246 -8.664 12.742 740 HB2 LEU 96 HB2 LEU 96 8.732 -7.321 10.803 741 HB3 LEU 96 HB3 LEU 96 7.949 -8.842 10.941 742 HG LEU 96 HG LEU 96 6.903 -7.171 12.277 743 HD11 LEU 96 HD11 LEU 96 8.355 -9.201 13.991 744 HD12 LEU 96 HD12 LEU 96 6.884 -9.475 13.037 745 HD13 LEU 96 HD13 LEU 96 6.851 -8.345 14.415 746 HD21 LEU 96 HD21 LEU 96 8.018 -6.072 14.109 747 HD22 LEU 96 HD22 LEU 96 8.929 -5.818 12.601 748 HD23 LEU 96 HD23 LEU 96 9.512 -6.987 13.810 749 H GLN 97 H GLN 97 11.746 -10.446 10.727 750 HA GLN 97 HA GLN 97 10.237 -12.951 10.831 751 HB2 GLN 97 HB2 GLN 97 13.135 -12.347 10.151 752 HB3 GLN 97 HB3 GLN 97 12.355 -13.917 9.946 753 HG2 GLN 97 HG2 GLN 97 11.560 -11.342 8.518 754 HG3 GLN 97 HG3 GLN 97 12.517 -12.629 7.822 755 HE21 GLN 97 HE21 GLN 97 9.866 -11.509 6.988 756 HE22 GLN 97 HE22 GLN 97 8.772 -12.906 6.986 757 H THR 98 H THR 98 9.882 -12.328 13.196 758 HA THR 98 HA THR 98 11.586 -13.792 15.142 759 HB THR 98 HB THR 98 12.845 -11.942 15.329 760 HG1 THR 98 HG1 THR 98 12.131 -10.878 17.192 761 HG21 THR 98 HG21 THR 98 11.883 -10.365 13.827 762 HG22 THR 98 HG22 THR 98 11.989 -9.581 15.399 763 HG23 THR 98 HG23 THR 98 10.420 -10.189 14.820 764 HA PRO 99 HA PRO 99 7.452 -13.690 17.068 765 HB2 PRO 99 HB2 PRO 99 7.493 -16.093 18.306 766 HB3 PRO 99 HB3 PRO 99 7.239 -15.937 16.546 767 HG2 PRO 99 HG2 PRO 99 9.804 -16.607 18.008 768 HG3 PRO 99 HG3 PRO 99 9.099 -17.415 16.577 769 HD2 PRO 99 HD2 PRO 99 11.059 -15.450 16.455 770 HD3 PRO 99 HD3 PRO 99 9.897 -15.770 15.137 771 H VAL 100 H VAL 100 10.145 -12.540 17.930 772 HA VAL 100 HA VAL 100 10.096 -12.912 20.891 773 HB VAL 100 HB VAL 100 12.482 -12.896 18.986 774 HG11 VAL 100 HG11 VAL 100 13.744 -13.780 21.013 775 HG12 VAL 100 HG12 VAL 100 13.264 -12.120 21.205 776 HG13 VAL 100 HG13 VAL 100 12.329 -13.392 22.017 777 HG21 VAL 100 HG21 VAL 100 11.296 -14.984 18.755 778 HG22 VAL 100 HG22 VAL 100 12.736 -15.279 19.698 779 HG23 VAL 100 HG23 VAL 100 11.162 -15.173 20.522 780 H THR 101 H THR 101 9.119 -10.654 18.962 781 HA THR 101 HA THR 101 10.914 -8.450 19.357 782 HB THR 101 HB THR 101 9.101 -7.011 18.498 783 HG1 THR 101 HG1 THR 101 7.624 -9.391 18.178 784 HG21 THR 101 HG21 THR 101 8.920 -7.990 16.269 785 HG22 THR 101 HG22 THR 101 9.512 -9.550 16.886 786 HG23 THR 101 HG23 THR 101 10.570 -8.124 16.905 787 H ASN 102 H ASN 102 10.524 -6.417 20.334 788 HA ASN 102 HA ASN 102 9.330 -6.511 23.039 789 HB2 ASN 102 HB2 ASN 102 11.627 -5.620 22.633 790 HB3 ASN 102 HB3 ASN 102 10.958 -4.378 21.582 791 HD21 ASN 102 HD21 ASN 102 12.341 -3.154 23.285 792 HD22 ASN 102 HD22 ASN 102 11.435 -2.580 24.695 793 H ARG 103 H ARG 103 7.607 -5.276 23.711 794 HA ARG 103 HA ARG 103 5.682 -4.192 21.807 795 HB2 ARG 103 HB2 ARG 103 5.021 -5.336 23.877 796 HB3 ARG 103 HB3 ARG 103 5.917 -4.170 24.843 797 HG2 ARG 103 HG2 ARG 103 3.587 -3.672 25.024 798 HG3 ARG 103 HG3 ARG 103 4.353 -2.370 24.128 799 HD2 ARG 103 HD2 ARG 103 3.564 -3.564 21.987 800 HD3 ARG 103 HD3 ARG 103 2.604 -4.617 23.035 801 HE ARG 103 HE ARG 103 2.061 -1.902 22.232 802 HH11 ARG 103 HH11 ARG 103 1.462 -4.134 24.956 803 HH12 ARG 103 HH12 ARG 103 0.027 -3.266 25.465 804 HH21 ARG 103 HH21 ARG 103 0.212 -0.828 22.935 805 HH22 ARG 103 HH22 ARG 103 -0.677 -1.411 24.329 806 H GLY 104 H GLY 104 8.219 -2.862 23.883 807 HA2 GLY 104 HA2 GLY 104 7.395 -0.244 24.237 808 HA3 GLY 104 HA3 GLY 104 9.079 -0.759 24.209 809 H ILE 105 H ILE 105 7.726 1.724 23.295 810 HA ILE 105 HA ILE 105 7.526 1.742 20.453 811 HB ILE 105 HB ILE 105 7.673 4.063 22.401 812 HG12 ILE 105 HG12 ILE 105 5.305 2.561 21.183 813 HG13 ILE 105 HG13 ILE 105 5.804 2.521 22.872 814 HG21 ILE 105 HG21 ILE 105 6.672 4.018 19.511 815 HG22 ILE 105 HG22 ILE 105 6.662 5.412 20.606 816 HG23 ILE 105 HG23 ILE 105 8.193 4.768 20.056 817 HD11 ILE 105 HD11 ILE 105 3.916 3.948 22.738 818 HD12 ILE 105 HD12 ILE 105 5.325 4.987 23.030 819 HD13 ILE 105 HD13 ILE 105 4.600 4.883 21.403 820 HA PRO 106 HA PRO 106 11.912 2.496 19.617 821 HB2 PRO 106 HB2 PRO 106 11.849 2.751 16.912 822 HB3 PRO 106 HB3 PRO 106 11.681 1.187 17.764 823 HG2 PRO 106 HG2 PRO 106 9.496 2.969 16.684 824 HG3 PRO 106 HG3 PRO 106 9.668 1.198 16.485 825 HD2 PRO 106 HD2 PRO 106 8.045 2.330 18.376 826 HD3 PRO 106 HD3 PRO 106 8.915 0.796 18.679 827 HHA HEC 107 HHA HEC 107 -5.124 -3.207 1.172 828 HHB HEC 107 HHB HEC 107 0.151 0.482 1.698 829 HHC HEC 107 HHC HEC 107 -3.169 4.714 5.299 830 HHD HEC 107 HHD HEC 107 -8.284 0.804 5.113 831 HMA1 HEC 107 HMA1 HEC 107 0.737 -1.794 1.043 832 HMA2 HEC 107 HMA2 HEC 107 0.003 -2.883 -0.130 833 HMA3 HEC 107 HMA3 HEC 107 0.141 -1.158 -0.511 834 HAA1 HEC 107 HAA1 HEC 107 -3.650 -3.842 -0.391 835 HAA2 HEC 107 HAA2 HEC 107 -2.008 -3.596 -0.928 836 HBA1 HEC 107 HBA1 HEC 107 -1.181 -4.776 1.135 837 HBA2 HEC 107 HBA2 HEC 107 -2.861 -5.088 1.591 838 HMB1 HEC 107 HMB1 HEC 107 1.698 3.439 3.505 839 HMB2 HEC 107 HMB2 HEC 107 1.619 1.842 2.800 840 HMB3 HEC 107 HMB3 HEC 107 1.229 3.278 1.811 841 HAB HEC 107 HAB HEC 107 -1.399 5.615 4.719 842 HBB1 HEC 107 HBB1 HEC 107 0.482 5.576 2.365 843 HBB2 HEC 107 HBB2 HEC 107 -1.261 5.902 2.292 844 HBB3 HEC 107 HBB3 HEC 107 -0.183 6.985 3.201 845 HMC1 HEC 107 HMC1 HEC 107 -6.374 5.369 7.174 846 HMC2 HEC 107 HMC2 HEC 107 -4.718 4.860 7.470 847 HMC3 HEC 107 HMC3 HEC 107 -5.108 5.870 6.063 848 HAC HEC 107 HAC HEC 107 -8.485 2.105 6.691 849 HBC1 HEC 107 HBC1 HEC 107 -8.436 5.113 6.509 850 HBC2 HEC 107 HBC2 HEC 107 -9.251 3.997 5.404 851 HBC3 HEC 107 HBC3 HEC 107 -9.762 4.102 7.097 852 HMD1 HEC 107 HMD1 HEC 107 -9.105 -2.249 5.026 853 HMD2 HEC 107 HMD2 HEC 107 -9.709 -0.702 4.397 854 HMD3 HEC 107 HMD3 HEC 107 -9.867 -2.142 3.418 855 HAD1 HEC 107 HAD1 HEC 107 -7.070 -4.280 2.161 856 HAD2 HEC 107 HAD2 HEC 107 -8.701 -3.729 2.447 857 HBD1 HEC 107 HBD1 HEC 107 -7.082 -3.078 -0.053 858 HBD2 HEC 107 HBD2 HEC 107 -8.334 -4.303 0.080 Start of MODEL 16 1 H SER 1 H SER 1 13.769 7.090 8.308 2 HA SER 1 HA SER 1 12.272 8.310 6.073 3 HB2 SER 1 HB2 SER 1 14.497 6.270 5.885 4 HB3 SER 1 HB3 SER 1 13.878 7.341 4.618 5 HG SER 1 HG SER 1 15.263 7.998 7.008 6 H GLY 2 H GLY 2 10.410 7.191 7.302 7 HA2 GLY 2 HA2 GLY 2 8.749 6.168 5.709 8 HA3 GLY 2 HA3 GLY 2 9.709 4.736 5.740 9 H GLU 3 H GLU 3 10.133 4.336 8.595 10 HA GLU 3 HA GLU 3 7.497 3.367 9.266 11 HB2 GLU 3 HB2 GLU 3 9.594 2.246 10.047 12 HB3 GLU 3 HB3 GLU 3 9.839 3.568 11.185 13 HG2 GLU 3 HG2 GLU 3 7.727 3.074 12.314 14 HG3 GLU 3 HG3 GLU 3 7.261 1.961 11.044 15 H GLN 4 H GLN 4 9.311 6.228 10.371 16 HA GLN 4 HA GLN 4 7.467 7.322 12.206 17 HB2 GLN 4 HB2 GLN 4 9.811 8.047 11.504 18 HB3 GLN 4 HB3 GLN 4 9.090 8.886 10.142 19 HG2 GLN 4 HG2 GLN 4 8.532 9.432 13.095 20 HG3 GLN 4 HG3 GLN 4 9.714 10.296 12.117 21 HE21 GLN 4 HE21 GLN 4 8.538 11.242 9.891 22 HE22 GLN 4 HE22 GLN 4 7.075 12.108 10.323 23 H ILE 5 H ILE 5 7.449 7.446 8.649 24 HA ILE 5 HA ILE 5 5.135 9.203 8.405 25 HB ILE 5 HB ILE 5 6.535 7.337 6.400 26 HG12 ILE 5 HG12 ILE 5 6.792 10.357 6.766 27 HG13 ILE 5 HG13 ILE 5 7.976 9.169 7.304 28 HG21 ILE 5 HG21 ILE 5 4.500 9.565 5.888 29 HG22 ILE 5 HG22 ILE 5 5.340 8.619 4.644 30 HG23 ILE 5 HG23 ILE 5 4.189 7.828 5.702 31 HD11 ILE 5 HD11 ILE 5 8.783 10.053 5.257 32 HD12 ILE 5 HD12 ILE 5 8.247 8.397 4.928 33 HD13 ILE 5 HD13 ILE 5 7.249 9.783 4.425 34 H PHE 6 H PHE 6 5.636 5.644 8.138 35 HA PHE 6 HA PHE 6 2.928 5.003 7.603 36 HB2 PHE 6 HB2 PHE 6 4.854 3.474 7.291 37 HB3 PHE 6 HB3 PHE 6 5.047 3.352 9.033 38 HD1 PHE 6 HD1 PHE 6 2.817 2.534 6.167 39 HD2 PHE 6 HD2 PHE 6 3.584 1.929 10.367 40 HE1 PHE 6 HE1 PHE 6 1.138 0.709 6.213 41 HE2 PHE 6 HE2 PHE 6 1.917 0.089 10.400 42 HZ PHE 6 HZ PHE 6 0.692 -0.523 8.331 43 H ARG 7 H ARG 7 4.643 5.280 10.720 44 HA ARG 7 HA ARG 7 2.505 4.584 12.454 45 HB2 ARG 7 HB2 ARG 7 4.887 4.643 13.044 46 HB3 ARG 7 HB3 ARG 7 4.897 6.407 12.908 47 HG2 ARG 7 HG2 ARG 7 3.312 6.582 14.794 48 HG3 ARG 7 HG3 ARG 7 3.193 4.810 14.870 49 HD2 ARG 7 HD2 ARG 7 5.649 4.705 15.361 50 HD3 ARG 7 HD3 ARG 7 5.715 6.471 15.306 51 HE ARG 7 HE ARG 7 4.851 6.584 17.420 52 HH11 ARG 7 HH11 ARG 7 4.235 3.287 16.212 53 HH12 ARG 7 HH12 ARG 7 3.725 2.697 17.777 54 HH21 ARG 7 HH21 ARG 7 4.194 5.762 19.441 55 HH22 ARG 7 HH22 ARG 7 3.700 4.091 19.595 56 H THR 8 H THR 8 3.404 7.724 11.033 57 HA THR 8 HA THR 8 1.345 9.111 12.621 58 HB THR 8 HB THR 8 2.351 11.187 11.704 59 HG1 THR 8 HG1 THR 8 4.470 9.615 10.809 60 HG21 THR 8 HG21 THR 8 4.314 11.122 13.075 61 HG22 THR 8 HG22 THR 8 4.353 9.342 13.054 62 HG23 THR 8 HG23 THR 8 3.038 10.209 13.874 63 H ARG 9 H ARG 9 1.516 8.143 9.209 64 HA ARG 9 HA ARG 9 -1.273 9.076 9.232 65 HB2 ARG 9 HB2 ARG 9 -1.288 10.324 7.215 66 HB3 ARG 9 HB3 ARG 9 -0.148 10.983 8.371 67 HG2 ARG 9 HG2 ARG 9 1.694 9.725 7.043 68 HG3 ARG 9 HG3 ARG 9 0.444 9.497 5.800 69 HD2 ARG 9 HD2 ARG 9 0.241 12.235 6.568 70 HD3 ARG 9 HD3 ARG 9 1.969 11.906 6.571 71 HE ARG 9 HE ARG 9 1.934 11.537 4.276 72 HH11 ARG 9 HH11 ARG 9 -1.413 12.100 5.393 73 HH12 ARG 9 HH12 ARG 9 -1.972 12.519 3.789 74 HH21 ARG 9 HH21 ARG 9 1.179 12.118 2.259 75 HH22 ARG 9 HH22 ARG 9 -0.500 12.537 2.014 76 H CYS 10 H CYS 10 0.198 6.392 9.010 77 HA CYS 10 HA CYS 10 -1.670 5.310 6.954 78 HB2 CYS 10 HB2 CYS 10 0.830 5.623 6.247 79 HB3 CYS 10 HB3 CYS 10 1.055 4.160 7.194 80 H SER 11 H SER 11 -1.071 5.246 10.146 81 HA SER 11 HA SER 11 -1.482 2.313 10.503 82 HB2 SER 11 HB2 SER 11 -0.465 4.441 12.408 83 HB3 SER 11 HB3 SER 11 -0.812 2.762 12.853 84 HG SER 11 HG SER 11 0.989 3.602 10.818 85 H SER 12 H SER 12 -3.759 3.217 9.611 86 HA SER 12 HA SER 12 -5.453 3.168 12.077 87 HB2 SER 12 HB2 SER 12 -7.160 4.516 10.953 88 HB3 SER 12 HB3 SER 12 -5.635 5.381 11.194 89 HG SER 12 HG SER 12 -5.877 5.800 9.169 90 H CYS 13 H CYS 13 -4.796 1.677 9.046 91 HA CYS 13 HA CYS 13 -7.230 -0.027 9.329 92 HB2 CYS 13 HB2 CYS 13 -6.163 1.190 6.786 93 HB3 CYS 13 HB3 CYS 13 -7.604 0.185 6.945 94 H HIS 14 H HIS 14 -4.126 -0.587 9.712 95 HA HIS 14 HA HIS 14 -4.095 -3.058 8.042 96 HB2 HIS 14 2HB HIS 14 -1.665 -1.302 8.281 97 HB3 HIS 14 3HB HIS 14 -1.975 -2.603 7.140 98 HD1 HIS 14 1HD HIS 14 -2.145 1.043 7.524 99 HD2 HIS 14 2HD HIS 14 -3.808 -1.964 5.102 100 HE1 HIS 14 1HE HIS 14 -2.989 2.229 5.482 101 H THR 15 H THR 15 -1.954 -4.202 8.462 102 HA THR 15 HA THR 15 -0.570 -3.807 11.006 103 HB THR 15 HB THR 15 -0.341 -6.458 11.157 104 HG1 THR 15 HG1 THR 15 -2.870 -6.049 9.935 105 HG21 THR 15 HG21 THR 15 -2.198 -6.571 12.762 106 HG22 THR 15 HG22 THR 15 -2.716 -4.945 12.255 107 HG23 THR 15 HG23 THR 15 -1.118 -5.200 13.018 108 H VAL 16 H VAL 16 1.707 -4.265 10.716 109 HA VAL 16 HA VAL 16 2.425 -5.720 8.155 110 HB VAL 16 HB VAL 16 4.409 -4.024 9.695 111 HG11 VAL 16 HG11 VAL 16 5.538 -4.073 7.470 112 HG12 VAL 16 HG12 VAL 16 5.301 -5.689 8.125 113 HG13 VAL 16 HG13 VAL 16 4.241 -5.098 6.829 114 HG21 VAL 16 HG21 VAL 16 4.080 -2.272 7.961 115 HG22 VAL 16 HG22 VAL 16 2.610 -3.116 7.421 116 HG23 VAL 16 HG23 VAL 16 2.707 -2.423 9.052 117 H GLY 17 H GLY 17 2.430 -7.765 8.613 118 HA2 GLY 17 HA2 GLY 17 3.095 -9.765 9.579 119 HA3 GLY 17 HA3 GLY 17 4.370 -8.908 10.459 120 H ASN 18 H ASN 18 0.835 -8.523 10.509 121 HA ASN 18 HA ASN 18 -0.630 -8.093 12.197 122 HB2 ASN 18 HB2 ASN 18 0.021 -10.606 12.203 123 HB3 ASN 18 HB3 ASN 18 0.689 -10.153 13.766 124 HD21 ASN 18 HD21 ASN 18 -0.773 -10.023 15.506 125 HD22 ASN 18 HD22 ASN 18 -2.489 -10.369 15.290 126 H THR 19 H THR 19 2.320 -6.787 12.627 127 HA THR 19 HA THR 19 2.271 -6.435 15.522 128 HB THR 19 HB THR 19 4.294 -5.146 15.316 129 HG1 THR 19 HG1 THR 19 4.142 -5.467 12.508 130 HG21 THR 19 HG21 THR 19 4.500 -7.641 15.157 131 HG22 THR 19 HG22 THR 19 5.821 -6.741 14.391 132 HG23 THR 19 HG23 THR 19 4.561 -7.478 13.387 133 H GLU 20 H GLU 20 2.399 -4.457 16.658 134 HA GLU 20 HA GLU 20 1.005 -2.891 17.521 135 HB2 GLU 20 HB2 GLU 20 1.960 -1.407 15.064 136 HB3 GLU 20 HB3 GLU 20 1.243 -0.674 16.496 137 HG2 GLU 20 HG2 GLU 20 3.111 -2.000 17.810 138 HG3 GLU 20 HG3 GLU 20 3.909 -2.110 16.245 139 HA PRO 21 HA PRO 21 -2.715 -3.752 14.864 140 HB2 PRO 21 HB2 PRO 21 -3.904 -5.810 16.134 141 HB3 PRO 21 HB3 PRO 21 -2.444 -6.075 15.135 142 HG2 PRO 21 HG2 PRO 21 -2.582 -5.715 18.149 143 HG3 PRO 21 HG3 PRO 21 -1.747 -7.006 17.226 144 HD2 PRO 21 HD2 PRO 21 -0.473 -4.736 18.120 145 HD3 PRO 21 HD3 PRO 21 -0.022 -5.595 16.619 146 H GLY 22 H GLY 22 -4.883 -3.184 15.222 147 HA2 GLY 22 HA2 GLY 22 -6.306 -2.880 17.619 148 HA3 GLY 22 HA3 GLY 22 -5.496 -1.336 17.307 149 H GLN 23 H GLN 23 -7.687 -0.483 17.055 150 HA GLN 23 HA GLN 23 -9.376 0.383 15.741 151 HB2 GLN 23 HB2 GLN 23 -6.958 0.370 13.918 152 HB3 GLN 23 HB3 GLN 23 -8.386 1.385 13.687 153 HG2 GLN 23 HG2 GLN 23 -7.972 2.565 15.774 154 HG3 GLN 23 HG3 GLN 23 -6.667 1.456 16.210 155 HE21 GLN 23 HE21 GLN 23 -4.656 1.448 14.877 156 HE22 GLN 23 HE22 GLN 23 -4.250 2.902 13.997 157 HA PRO 24 HA PRO 24 -10.201 -3.637 13.563 158 HB2 PRO 24 HB2 PRO 24 -12.401 -4.538 14.910 159 HB3 PRO 24 HB3 PRO 24 -10.770 -4.558 15.638 160 HG2 PRO 24 HG2 PRO 24 -12.914 -2.424 15.969 161 HG3 PRO 24 HG3 PRO 24 -12.038 -3.314 17.260 162 HD2 PRO 24 HD2 PRO 24 -11.203 -0.875 16.412 163 HD3 PRO 24 HD3 PRO 24 -10.031 -2.161 16.827 164 H GLY 25 H GLY 25 -12.566 -4.616 12.767 165 HA2 GLY 25 HA2 GLY 25 -14.100 -4.375 11.041 166 HA3 GLY 25 HA3 GLY 25 -14.004 -2.614 11.178 167 H ILE 26 H ILE 26 -11.122 -2.527 11.014 168 HA ILE 26 HA ILE 26 -10.271 -3.650 8.416 169 HB ILE 26 HB ILE 26 -8.946 -1.551 8.094 170 HG12 ILE 26 HG12 ILE 26 -9.521 -0.657 10.470 171 HG13 ILE 26 HG13 ILE 26 -9.361 0.398 9.087 172 HG21 ILE 26 HG21 ILE 26 -10.760 -2.175 6.642 173 HG22 ILE 26 HG22 ILE 26 -11.953 -1.450 7.723 174 HG23 ILE 26 HG23 ILE 26 -10.765 -0.420 6.894 175 HD11 ILE 26 HD11 ILE 26 -12.060 -0.445 10.171 176 HD12 ILE 26 HD12 ILE 26 -11.212 1.059 10.568 177 HD13 ILE 26 HD13 ILE 26 -11.731 0.758 8.906 178 H GLY 27 H GLY 27 -7.740 -3.329 8.319 179 HA2 GLY 27 HA2 GLY 27 -5.865 -3.397 10.152 180 HA3 GLY 27 HA3 GLY 27 -6.749 -4.806 10.682 181 HA PRO 28 HA PRO 28 -5.405 -7.301 7.116 182 HB2 PRO 28 HB2 PRO 28 -5.183 -5.320 4.829 183 HB3 PRO 28 HB3 PRO 28 -5.538 -7.079 4.748 184 HG2 PRO 28 HG2 PRO 28 -7.579 -5.322 4.724 185 HG3 PRO 28 HG3 PRO 28 -7.675 -6.771 5.770 186 HD2 PRO 28 HD2 PRO 28 -7.024 -3.926 6.532 187 HD3 PRO 28 HD3 PRO 28 -8.004 -5.167 7.387 188 H ASP 29 H ASP 29 -3.514 -8.193 6.389 189 HA ASP 29 HA ASP 29 -1.204 -6.905 7.541 190 HB2 ASP 29 HB2 ASP 29 -2.022 -9.284 7.883 191 HB3 ASP 29 HB3 ASP 29 -1.272 -9.667 6.337 192 H LEU 30 H LEU 30 0.548 -6.043 6.571 193 HA LEU 30 HA LEU 30 0.737 -6.042 3.602 194 HB2 LEU 30 HB2 LEU 30 2.160 -4.168 5.485 195 HB3 LEU 30 HB3 LEU 30 1.819 -3.946 3.775 196 HG LEU 30 HG LEU 30 -0.185 -3.870 6.060 197 HD11 LEU 30 HD11 LEU 30 1.284 -1.892 5.888 198 HD12 LEU 30 HD12 LEU 30 -0.378 -1.484 5.452 199 HD13 LEU 30 HD13 LEU 30 0.846 -1.697 4.177 200 HD21 LEU 30 HD21 LEU 30 -0.633 -3.389 3.074 201 HD22 LEU 30 HD22 LEU 30 -1.828 -3.109 4.365 202 HD23 LEU 30 HD23 LEU 30 -1.289 -4.746 4.019 203 H LEU 31 H LEU 31 2.223 -7.884 5.878 204 HA LEU 31 HA LEU 31 5.013 -7.454 5.216 205 HB2 LEU 31 HB2 LEU 31 3.962 -8.341 7.313 206 HB3 LEU 31 HB3 LEU 31 3.708 -9.849 6.506 207 HG LEU 31 HG LEU 31 5.523 -10.049 8.002 208 HD11 LEU 31 HD11 LEU 31 5.931 -11.079 5.702 209 HD12 LEU 31 HD12 LEU 31 7.333 -10.833 6.754 210 HD13 LEU 31 HD13 LEU 31 7.045 -9.712 5.428 211 HD21 LEU 31 HD21 LEU 31 6.664 -7.537 6.725 212 HD22 LEU 31 HD22 LEU 31 7.544 -8.579 7.862 213 HD23 LEU 31 HD23 LEU 31 6.071 -7.768 8.386 214 H GLY 32 H GLY 32 6.310 -8.527 3.884 215 HA2 GLY 32 HA2 GLY 32 7.062 -9.837 2.081 216 HA3 GLY 32 HA3 GLY 32 5.660 -10.875 2.329 217 H VAL 33 H VAL 33 4.283 -7.921 1.796 218 HA VAL 33 HA VAL 33 3.280 -8.563 -0.770 219 HB VAL 33 HB VAL 33 3.350 -5.928 0.742 220 HG11 VAL 33 HG11 VAL 33 1.573 -6.716 -1.594 221 HG12 VAL 33 HG12 VAL 33 1.446 -5.234 -0.641 222 HG13 VAL 33 HG13 VAL 33 2.869 -5.494 -1.658 223 HG21 VAL 33 HG21 VAL 33 1.030 -6.541 1.343 224 HG22 VAL 33 HG22 VAL 33 1.169 -8.052 0.429 225 HG23 VAL 33 HG23 VAL 33 2.135 -7.802 1.888 226 H THR 34 H THR 34 6.102 -6.465 0.081 227 HA THR 34 HA THR 34 6.513 -5.573 -2.626 228 HB THR 34 HB THR 34 8.679 -4.759 -1.958 229 HG1 THR 34 HG1 THR 34 9.766 -5.481 -0.470 230 HG21 THR 34 HG21 THR 34 6.749 -3.463 -1.191 231 HG22 THR 34 HG22 THR 34 8.141 -3.349 -0.098 232 HG23 THR 34 HG23 THR 34 6.754 -4.370 0.337 233 H ARG 35 H ARG 35 7.054 -8.682 -1.355 234 HA ARG 35 HA ARG 35 8.619 -9.434 -3.783 235 HB2 ARG 35 HB2 ARG 35 9.553 -11.315 -2.557 236 HB3 ARG 35 HB3 ARG 35 9.952 -9.778 -1.790 237 HG2 ARG 35 HG2 ARG 35 8.255 -10.126 -0.072 238 HG3 ARG 35 HG3 ARG 35 7.691 -11.608 -0.879 239 HD2 ARG 35 HD2 ARG 35 9.929 -12.627 -0.450 240 HD3 ARG 35 HD3 ARG 35 10.393 -11.156 0.431 241 HE ARG 35 HE ARG 35 7.955 -12.693 1.203 242 HH11 ARG 35 HH11 ARG 35 11.204 -11.566 2.166 243 HH12 ARG 35 HH12 ARG 35 10.951 -11.987 3.845 244 HH21 ARG 35 HH21 ARG 35 7.679 -13.204 3.368 245 HH22 ARG 35 HH22 ARG 35 8.960 -12.915 4.523 246 H GLN 36 H GLN 36 5.525 -9.395 -2.853 247 HA GLN 36 HA GLN 36 4.898 -11.940 -4.295 248 HB2 GLN 36 HB2 GLN 36 3.522 -10.727 -1.872 249 HB3 GLN 36 HB3 GLN 36 2.805 -12.004 -2.839 250 HG2 GLN 36 HG2 GLN 36 5.430 -12.225 -1.315 251 HG3 GLN 36 HG3 GLN 36 3.886 -12.890 -0.819 252 HE21 GLN 36 HE21 GLN 36 5.930 -14.620 -0.898 253 HE22 GLN 36 HE22 GLN 36 5.785 -15.675 -2.315 254 H ARG 37 H ARG 37 4.587 -8.616 -4.533 255 HA ARG 37 HA ARG 37 2.473 -8.909 -6.646 256 HB2 ARG 37 HB2 ARG 37 3.313 -6.406 -5.140 257 HB3 ARG 37 HB3 ARG 37 2.059 -6.500 -6.381 258 HG2 ARG 37 HG2 ARG 37 1.962 -7.848 -3.647 259 HG3 ARG 37 HG3 ARG 37 1.173 -6.331 -4.072 260 HD2 ARG 37 HD2 ARG 37 -0.292 -7.439 -5.655 261 HD3 ARG 37 HD3 ARG 37 0.557 -8.978 -5.444 262 HE ARG 37 HE ARG 37 -1.160 -7.592 -3.437 263 HH11 ARG 37 HH11 ARG 37 0.553 -10.579 -4.392 264 HH12 ARG 37 HH12 ARG 37 -0.044 -11.472 -3.010 265 HH21 ARG 37 HH21 ARG 37 -1.862 -8.780 -1.659 266 HH22 ARG 37 HH22 ARG 37 -1.404 -10.458 -1.473 267 H ASP 38 H ASP 38 2.996 -7.832 -8.694 268 HA ASP 38 HA ASP 38 5.807 -7.517 -9.330 269 HB2 ASP 38 HB2 ASP 38 3.715 -7.880 -10.950 270 HB3 ASP 38 HB3 ASP 38 3.620 -6.132 -10.899 271 H ALA 39 H ALA 39 7.132 -5.815 -9.090 272 HA ALA 39 HA ALA 39 6.503 -3.991 -7.065 273 HB1 ALA 39 HB1 ALA 39 8.739 -3.083 -7.559 274 HB2 ALA 39 HB2 ALA 39 8.743 -4.860 -7.638 275 HB3 ALA 39 HB3 ALA 39 8.744 -3.913 -9.135 276 H ASN 40 H ASN 40 6.712 -3.354 -10.605 277 HA ASN 40 HA ASN 40 6.020 -0.578 -10.303 278 HB2 ASN 40 HB2 ASN 40 6.210 -2.493 -12.664 279 HB3 ASN 40 HB3 ASN 40 5.620 -0.860 -12.875 280 HD21 ASN 40 HD21 ASN 40 8.463 -2.782 -12.304 281 HD22 ASN 40 HD22 ASN 40 9.583 -1.413 -12.308 282 H TRP 41 H TRP 41 3.924 -3.384 -10.345 283 HA TRP 41 HA TRP 41 1.479 -1.777 -10.748 284 HB2 TRP 41 HB2 TRP 41 1.521 -4.250 -11.248 285 HB3 TRP 41 HB3 TRP 41 1.850 -4.562 -9.564 286 HD1 TRP 41 HD1 TRP 41 -0.990 -3.529 -11.877 287 HE1 TRP 41 HE1 TRP 41 -3.250 -3.667 -10.631 288 HE3 TRP 41 HE3 TRP 41 0.734 -4.496 -7.152 289 HZ2 TRP 41 HZ2 TRP 41 -4.145 -3.913 -7.924 290 HZ3 TRP 41 HZ3 TRP 41 -0.862 -4.642 -5.240 291 HH2 TRP 41 HH2 TRP 41 -3.294 -4.335 -5.618 292 H LEU 42 H LEU 42 3.246 -3.244 -7.983 293 HA LEU 42 HA LEU 42 1.393 -2.414 -6.016 294 HB2 LEU 42 HB2 LEU 42 3.003 -4.241 -5.841 295 HB3 LEU 42 HB3 LEU 42 4.350 -3.133 -5.795 296 HG LEU 42 HG LEU 42 3.608 -4.239 -3.635 297 HD11 LEU 42 HD11 LEU 42 5.124 -2.274 -3.683 298 HD12 LEU 42 HD12 LEU 42 4.139 -2.389 -2.216 299 HD13 LEU 42 HD13 LEU 42 3.720 -1.212 -3.467 300 HD21 LEU 42 HD21 LEU 42 1.153 -3.865 -3.894 301 HD22 LEU 42 HD22 LEU 42 1.415 -2.132 -3.612 302 HD23 LEU 42 HD23 LEU 42 1.799 -3.303 -2.343 303 H VAL 43 H VAL 43 4.475 -0.829 -6.979 304 HA VAL 43 HA VAL 43 4.145 1.303 -5.062 305 HB VAL 43 HB VAL 43 5.927 1.251 -7.520 306 HG11 VAL 43 HG11 VAL 43 5.698 3.513 -6.585 307 HG12 VAL 43 HG12 VAL 43 6.062 2.903 -4.953 308 HG13 VAL 43 HG13 VAL 43 7.298 2.870 -6.229 309 HG21 VAL 43 HG21 VAL 43 7.717 0.566 -5.931 310 HG22 VAL 43 HG22 VAL 43 6.523 0.411 -4.630 311 HG23 VAL 43 HG23 VAL 43 6.460 -0.657 -6.044 312 H ARG 44 H ARG 44 2.959 0.872 -8.329 313 HA ARG 44 HA ARG 44 1.891 3.581 -8.569 314 HB2 ARG 44 HB2 ARG 44 1.341 1.015 -10.073 315 HB3 ARG 44 HB3 ARG 44 0.345 2.462 -10.278 316 HG2 ARG 44 HG2 ARG 44 2.300 3.802 -10.893 317 HG3 ARG 44 HG3 ARG 44 3.354 2.387 -10.714 318 HD2 ARG 44 HD2 ARG 44 2.154 1.228 -12.528 319 HD3 ARG 44 HD3 ARG 44 0.964 2.532 -12.609 320 HE ARG 44 HE ARG 44 2.365 3.773 -13.893 321 HH11 ARG 44 HH11 ARG 44 4.371 1.230 -12.394 322 HH12 ARG 44 HH12 ARG 44 5.762 1.609 -13.383 323 HH21 ARG 44 HH21 ARG 44 4.182 4.215 -15.152 324 HH22 ARG 44 HH22 ARG 44 5.656 3.297 -14.941 325 H TRP 45 H TRP 45 0.456 0.451 -7.606 326 HA TRP 45 HA TRP 45 -2.175 1.261 -7.088 327 HB2 TRP 45 HB2 TRP 45 -1.652 -1.060 -7.172 328 HB3 TRP 45 HB3 TRP 45 -0.415 -0.922 -5.943 329 HD1 TRP 45 HD1 TRP 45 -1.097 -2.107 -3.842 330 HE1 TRP 45 HE1 TRP 45 -3.289 -2.551 -2.527 331 HE3 TRP 45 HE3 TRP 45 -4.363 0.513 -6.751 332 HZ2 TRP 45 HZ2 TRP 45 -6.052 -1.872 -2.730 333 HZ3 TRP 45 HZ3 TRP 45 -6.784 0.595 -6.188 334 HH2 TRP 45 HH2 TRP 45 -7.637 -0.595 -4.177 335 H LEU 46 H LEU 46 0.442 0.965 -4.619 336 HA LEU 46 HA LEU 46 -1.295 2.062 -2.617 337 HB2 LEU 46 HB2 LEU 46 0.130 1.257 -1.175 338 HB3 LEU 46 HB3 LEU 46 0.906 0.477 -2.549 339 HG LEU 46 HG LEU 46 1.855 3.121 -1.349 340 HD11 LEU 46 HD11 LEU 46 2.107 1.290 0.272 341 HD12 LEU 46 HD12 LEU 46 3.673 1.749 -0.404 342 HD13 LEU 46 HD13 LEU 46 2.865 0.270 -0.974 343 HD21 LEU 46 HD21 LEU 46 2.467 2.689 -3.752 344 HD22 LEU 46 HD22 LEU 46 3.140 1.125 -3.238 345 HD23 LEU 46 HD23 LEU 46 3.858 2.641 -2.668 346 H LYS 47 H LYS 47 0.291 3.697 -5.025 347 HA LYS 47 HA LYS 47 0.656 6.243 -3.549 348 HB2 LYS 47 HB2 LYS 47 2.419 5.350 -4.995 349 HB3 LYS 47 HB3 LYS 47 1.341 5.347 -6.383 350 HG2 LYS 47 HG2 LYS 47 1.400 7.680 -6.609 351 HG3 LYS 47 HG3 LYS 47 1.919 7.938 -4.938 352 HD2 LYS 47 HD2 LYS 47 3.749 8.350 -6.572 353 HD3 LYS 47 HD3 LYS 47 4.126 7.103 -5.381 354 HE2 LYS 47 HE2 LYS 47 3.466 5.364 -7.120 355 HE3 LYS 47 HE3 LYS 47 3.369 6.679 -8.305 356 HZ1 LYS 47 HZ1 LYS 47 5.715 7.136 -7.894 357 HZ2 LYS 47 HZ2 LYS 47 5.564 5.514 -8.231 358 HZ3 LYS 47 HZ3 LYS 47 5.790 6.059 -6.692 359 H VAL 48 H VAL 48 -1.601 4.790 -5.849 360 HA VAL 48 HA VAL 48 -3.282 7.206 -5.634 361 HB VAL 48 HB VAL 48 -1.640 7.475 -7.540 362 HG11 VAL 48 HG11 VAL 48 -1.936 5.166 -8.533 363 HG12 VAL 48 HG12 VAL 48 -3.461 5.743 -9.214 364 HG13 VAL 48 HG13 VAL 48 -1.968 6.553 -9.646 365 HG21 VAL 48 HG21 VAL 48 -3.348 9.017 -7.353 366 HG22 VAL 48 HG22 VAL 48 -3.406 8.488 -9.032 367 HG23 VAL 48 HG23 VAL 48 -4.598 7.875 -7.856 368 HA PRO 49 HA PRO 49 -5.008 2.809 -5.751 369 HB2 PRO 49 HB2 PRO 49 -6.457 2.746 -3.392 370 HB3 PRO 49 HB3 PRO 49 -4.717 2.369 -3.534 371 HG2 PRO 49 HG2 PRO 49 -5.988 5.019 -2.759 372 HG3 PRO 49 HG3 PRO 49 -4.667 4.144 -1.919 373 HD2 PRO 49 HD2 PRO 49 -4.094 6.151 -3.619 374 HD3 PRO 49 HD3 PRO 49 -3.112 4.655 -3.635 375 H ASP 50 H ASP 50 -6.907 5.687 -4.777 376 HA ASP 50 HA ASP 50 -9.452 4.718 -5.605 377 HB2 ASP 50 HB2 ASP 50 -9.035 6.612 -4.080 378 HB3 ASP 50 HB3 ASP 50 -8.379 7.561 -5.420 379 H GLN 51 H GLN 51 -6.945 6.506 -7.465 380 HA GLN 51 HA GLN 51 -8.499 6.679 -9.909 381 HB2 GLN 51 HB2 GLN 51 -6.490 8.120 -9.282 382 HB3 GLN 51 HB3 GLN 51 -5.491 6.686 -9.558 383 HG2 GLN 51 HG2 GLN 51 -6.638 6.685 -11.945 384 HG3 GLN 51 HG3 GLN 51 -7.019 8.358 -11.549 385 HE21 GLN 51 HE21 GLN 51 -4.269 5.994 -11.816 386 HE22 GLN 51 HE22 GLN 51 -3.170 7.209 -12.427 387 H MET 52 H MET 52 -6.186 4.283 -8.534 388 HA MET 52 HA MET 52 -5.992 2.709 -10.921 389 HB2 MET 52 HB2 MET 52 -4.440 2.626 -8.910 390 HB3 MET 52 HB3 MET 52 -5.716 1.767 -8.042 391 HG2 MET 52 HG2 MET 52 -4.202 0.101 -8.895 392 HG3 MET 52 HG3 MET 52 -5.671 -0.001 -9.843 393 HE1 MET 52 HE1 MET 52 -1.478 1.299 -11.184 394 HE2 MET 52 HE2 MET 52 -2.268 2.048 -9.777 395 HE3 MET 52 HE3 MET 52 -1.908 0.303 -9.777 396 H LEU 53 H LEU 53 -8.319 2.531 -8.173 397 HA LEU 53 HA LEU 53 -9.709 0.274 -9.326 398 HB2 LEU 53 HB2 LEU 53 -9.665 1.113 -6.879 399 HB3 LEU 53 HB3 LEU 53 -10.844 2.321 -7.393 400 HG LEU 53 HG LEU 53 -12.338 0.446 -8.144 401 HD11 LEU 53 HD11 LEU 53 -10.741 -1.400 -8.491 402 HD12 LEU 53 HD12 LEU 53 -11.877 -1.849 -7.232 403 HD13 LEU 53 HD13 LEU 53 -10.249 -1.322 -6.782 404 HD21 LEU 53 HD21 LEU 53 -12.593 1.488 -5.915 405 HD22 LEU 53 HD22 LEU 53 -11.457 0.305 -5.227 406 HD23 LEU 53 HD23 LEU 53 -13.022 -0.227 -5.872 407 H ALA 54 H ALA 54 -9.997 3.799 -9.725 408 HA ALA 54 HA ALA 54 -12.332 3.692 -11.410 409 HB1 ALA 54 HB1 ALA 54 -10.231 5.870 -11.144 410 HB2 ALA 54 HB2 ALA 54 -11.859 6.039 -11.822 411 HB3 ALA 54 HB3 ALA 54 -11.658 5.683 -10.099 412 H GLU 55 H GLU 55 -8.883 3.201 -12.197 413 HA GLU 55 HA GLU 55 -9.404 3.454 -15.053 414 HB2 GLU 55 HB2 GLU 55 -7.200 3.039 -15.472 415 HB3 GLU 55 HB3 GLU 55 -7.168 3.913 -13.958 416 HG2 GLU 55 HG2 GLU 55 -6.580 1.924 -12.757 417 HG3 GLU 55 HG3 GLU 55 -6.979 0.869 -14.105 418 H LYS 56 H LYS 56 -10.435 1.147 -13.009 419 HA LYS 56 HA LYS 56 -11.123 -1.009 -13.077 420 HB2 LYS 56 HB2 LYS 56 -11.176 -0.730 -16.096 421 HB3 LYS 56 HB3 LYS 56 -11.979 -1.971 -15.132 422 HG2 LYS 56 HG2 LYS 56 -13.379 -0.227 -14.038 423 HG3 LYS 56 HG3 LYS 56 -12.565 1.020 -15.003 424 HD2 LYS 56 HD2 LYS 56 -13.333 -0.240 -17.078 425 HD3 LYS 56 HD3 LYS 56 -14.378 -1.205 -16.018 426 HE2 LYS 56 HE2 LYS 56 -15.632 0.741 -15.331 427 HE3 LYS 56 HE3 LYS 56 -14.403 1.837 -15.988 428 HZ1 LYS 56 HZ1 LYS 56 -16.212 1.787 -17.515 429 HZ2 LYS 56 HZ2 LYS 56 -16.231 0.152 -17.614 430 HZ3 LYS 56 HZ3 LYS 56 -14.951 1.023 -18.210 431 H ASP 57 H ASP 57 -9.103 -1.394 -12.134 432 HA ASP 57 HA ASP 57 -7.090 -2.939 -13.670 433 HB2 ASP 57 HB2 ASP 57 -6.230 -1.028 -12.335 434 HB3 ASP 57 HB3 ASP 57 -6.895 -1.767 -10.873 435 HA PRO 58 HA PRO 58 -9.753 -6.045 -12.014 436 HB2 PRO 58 HB2 PRO 58 -8.779 -8.225 -13.266 437 HB3 PRO 58 HB3 PRO 58 -9.518 -6.805 -14.102 438 HG2 PRO 58 HG2 PRO 58 -6.531 -7.190 -13.681 439 HG3 PRO 58 HG3 PRO 58 -7.397 -7.076 -15.261 440 HD2 PRO 58 HD2 PRO 58 -6.371 -4.922 -14.030 441 HD3 PRO 58 HD3 PRO 58 -7.989 -4.818 -14.795 442 H LEU 59 H LEU 59 -6.270 -6.173 -11.528 443 HA LEU 59 HA LEU 59 -6.391 -8.133 -9.381 444 HB2 LEU 59 HB2 LEU 59 -4.305 -7.730 -10.597 445 HB3 LEU 59 HB3 LEU 59 -4.258 -6.062 -10.011 446 HG LEU 59 HG LEU 59 -3.924 -6.801 -7.722 447 HD11 LEU 59 HD11 LEU 59 -4.155 -9.621 -8.848 448 HD12 LEU 59 HD12 LEU 59 -5.215 -8.866 -7.633 449 HD13 LEU 59 HD13 LEU 59 -3.538 -9.226 -7.224 450 HD21 LEU 59 HD21 LEU 59 -1.721 -7.800 -7.953 451 HD22 LEU 59 HD22 LEU 59 -1.963 -6.653 -9.281 452 HD23 LEU 59 HD23 LEU 59 -2.118 -8.391 -9.582 453 H ALA 60 H ALA 60 -6.380 -4.472 -9.413 454 HA ALA 60 HA ALA 60 -6.575 -4.302 -6.558 455 HB1 ALA 60 HB1 ALA 60 -7.660 -2.385 -8.629 456 HB2 ALA 60 HB2 ALA 60 -7.422 -2.082 -6.889 457 HB3 ALA 60 HB3 ALA 60 -6.011 -2.387 -7.929 458 H MET 61 H MET 61 -9.136 -4.599 -9.020 459 HA MET 61 HA MET 61 -11.460 -4.564 -7.397 460 HB2 MET 61 HB2 MET 61 -10.702 -5.943 -9.980 461 HB3 MET 61 HB3 MET 61 -12.324 -5.997 -9.326 462 HG2 MET 61 HG2 MET 61 -10.856 -3.394 -9.918 463 HG3 MET 61 HG3 MET 61 -11.830 -4.238 -11.111 464 HE1 MET 61 HE1 MET 61 -14.187 -4.823 -10.904 465 HE2 MET 61 HE2 MET 61 -14.376 -5.264 -9.195 466 HE3 MET 61 HE3 MET 61 -15.417 -4.002 -9.900 467 H LEU 62 H LEU 62 -8.952 -7.018 -7.602 468 HA LEU 62 HA LEU 62 -10.521 -9.125 -6.320 469 HB2 LEU 62 HB2 LEU 62 -8.342 -9.189 -7.867 470 HB3 LEU 62 HB3 LEU 62 -7.522 -8.956 -6.326 471 HG LEU 62 HG LEU 62 -9.353 -11.255 -7.090 472 HD11 LEU 62 HD11 LEU 62 -6.352 -11.168 -6.542 473 HD12 LEU 62 HD12 LEU 62 -7.103 -11.247 -8.150 474 HD13 LEU 62 HD13 LEU 62 -7.303 -12.594 -7.019 475 HD21 LEU 62 HD21 LEU 62 -7.840 -10.740 -4.491 476 HD22 LEU 62 HD22 LEU 62 -8.506 -12.318 -4.961 477 HD23 LEU 62 HD23 LEU 62 -9.598 -10.959 -4.707 478 H LEU 63 H LEU 63 -7.895 -6.774 -5.272 479 HA LEU 63 HA LEU 63 -7.750 -8.109 -2.666 480 HB2 LEU 63 HB2 LEU 63 -6.799 -5.292 -3.445 481 HB3 LEU 63 HB3 LEU 63 -6.514 -6.061 -1.903 482 HG LEU 63 HG LEU 63 -5.096 -7.798 -3.026 483 HD11 LEU 63 HD11 LEU 63 -5.669 -5.979 -5.372 484 HD12 LEU 63 HD12 LEU 63 -5.865 -7.740 -5.279 485 HD13 LEU 63 HD13 LEU 63 -4.237 -7.054 -5.322 486 HD21 LEU 63 HD21 LEU 63 -3.209 -6.206 -3.370 487 HD22 LEU 63 HD22 LEU 63 -4.160 -5.769 -1.940 488 HD23 LEU 63 HD23 LEU 63 -4.380 -4.859 -3.438 489 H PHE 64 H PHE 64 -9.118 -5.121 -3.824 490 HA PHE 64 HA PHE 64 -9.879 -4.179 -1.216 491 HB2 PHE 64 HB2 PHE 64 -10.332 -2.277 -2.212 492 HB3 PHE 64 HB3 PHE 64 -9.803 -3.003 -3.711 493 HD1 PHE 64 HD1 PHE 64 -11.478 -3.775 -5.378 494 HD2 PHE 64 HD2 PHE 64 -12.686 -1.945 -1.686 495 HE1 PHE 64 HE1 PHE 64 -13.789 -3.531 -6.260 496 HE2 PHE 64 HE2 PHE 64 -14.982 -1.648 -2.566 497 HZ PHE 64 HZ PHE 64 -15.556 -2.483 -4.842 498 H GLU 65 H GLU 65 -11.725 -6.112 -3.535 499 HA GLU 65 HA GLU 65 -14.165 -6.290 -1.968 500 HB2 GLU 65 HB2 GLU 65 -12.959 -8.032 -4.145 501 HB3 GLU 65 HB3 GLU 65 -14.514 -8.372 -3.413 502 HG2 GLU 65 HG2 GLU 65 -13.879 -5.766 -4.850 503 HG3 GLU 65 HG3 GLU 65 -14.517 -7.187 -5.658 504 H GLN 66 H GLN 66 -11.353 -8.531 -2.393 505 HA GLN 66 HA GLN 66 -12.667 -10.371 -0.541 506 HB2 GLN 66 HB2 GLN 66 -10.334 -10.666 -2.461 507 HB3 GLN 66 HB3 GLN 66 -10.922 -11.983 -1.449 508 HG2 GLN 66 HG2 GLN 66 -12.584 -10.516 -3.541 509 HG3 GLN 66 HG3 GLN 66 -11.916 -12.136 -3.689 510 HE21 GLN 66 HE21 GLN 66 -14.791 -11.335 -3.804 511 HE22 GLN 66 HE22 GLN 66 -15.539 -12.284 -2.526 512 H TYR 67 H TYR 67 -10.244 -8.099 0.057 513 HA TYR 67 HA TYR 67 -9.384 -9.645 2.471 514 HB2 TYR 67 HB2 TYR 67 -8.488 -6.953 1.423 515 HB3 TYR 67 HB3 TYR 67 -7.840 -7.780 2.833 516 HD1 TYR 67 HD2 TYR 67 -7.990 -10.642 1.188 517 HD2 TYR 67 HD1 TYR 67 -6.157 -6.771 0.603 518 HE1 TYR 67 HE2 TYR 67 -6.242 -11.679 -0.203 519 HE2 TYR 67 HE1 TYR 67 -4.352 -7.839 -0.713 520 HH TYR 67 HH TYR 67 -3.577 -9.784 -1.626 521 H ASN 68 H ASN 68 -11.526 -6.952 1.645 522 HA ASN 68 HA ASN 68 -12.556 -6.978 4.408 523 HB2 ASN 68 HB2 ASN 68 -10.415 -5.566 4.378 524 HB3 ASN 68 HB3 ASN 68 -11.276 -4.424 3.339 525 HD21 ASN 68 HD21 ASN 68 -11.232 -5.958 6.586 526 HD22 ASN 68 HD22 ASN 68 -12.146 -4.643 7.332 527 H ARG 69 H ARG 69 -12.957 -5.867 1.076 528 HA ARG 69 HA ARG 69 -14.547 -4.827 -0.037 529 HB2 ARG 69 HB2 ARG 69 -15.920 -6.672 1.330 530 HB3 ARG 69 HB3 ARG 69 -16.758 -5.248 1.927 531 HG2 ARG 69 HG2 ARG 69 -16.338 -6.089 -0.967 532 HG3 ARG 69 HG3 ARG 69 -17.845 -6.217 -0.063 533 HD2 ARG 69 HD2 ARG 69 -18.028 -3.771 0.056 534 HD3 ARG 69 HD3 ARG 69 -16.472 -3.591 -0.784 535 HE ARG 69 HE ARG 69 -18.009 -5.167 -2.461 536 HH11 ARG 69 HH11 ARG 69 -18.295 -1.867 -1.127 537 HH12 ARG 69 HH12 ARG 69 -19.121 -1.260 -2.544 538 HH21 ARG 69 HH21 ARG 69 -19.071 -4.335 -4.269 539 HH22 ARG 69 HH22 ARG 69 -19.559 -2.655 -4.322 540 H LEU 70 H LEU 70 -12.916 -3.188 1.076 541 HA LEU 70 HA LEU 70 -14.502 -0.743 1.443 542 HB2 LEU 70 HB2 LEU 70 -14.141 -1.569 3.720 543 HB3 LEU 70 HB3 LEU 70 -12.410 -1.637 3.468 544 HG LEU 70 HG LEU 70 -13.426 0.262 4.851 545 HD11 LEU 70 HD11 LEU 70 -11.529 1.102 2.640 546 HD12 LEU 70 HD12 LEU 70 -11.082 0.245 4.128 547 HD13 LEU 70 HD13 LEU 70 -11.761 1.879 4.212 548 HD21 LEU 70 HD21 LEU 70 -14.173 2.263 3.734 549 HD22 LEU 70 HD22 LEU 70 -15.215 0.915 3.255 550 HD23 LEU 70 HD23 LEU 70 -13.970 1.530 2.140 551 H ALA 71 H ALA 71 -13.799 0.397 -0.252 552 HA ALA 71 HA ALA 71 -11.110 0.246 -1.322 553 HB1 ALA 71 HB1 ALA 71 -13.071 0.689 -2.739 554 HB2 ALA 71 HB2 ALA 71 -13.384 2.200 -1.857 555 HB3 ALA 71 HB3 ALA 71 -11.911 2.029 -2.832 556 H MET 72 H MET 72 -9.371 1.637 -0.994 557 HA MET 72 HA MET 72 -9.649 3.587 1.217 558 HB2 MET 72 HB2 MET 72 -7.294 3.387 1.596 559 HB3 MET 72 HB3 MET 72 -8.084 1.810 1.616 560 HG2 MET 72 HG2 MET 72 -7.242 1.369 -0.682 561 HG3 MET 72 HG3 MET 72 -6.435 2.946 -0.669 562 HE1 MET 72 HE1 MET 72 -4.957 0.382 -1.430 563 HE2 MET 72 HE2 MET 72 -4.077 1.918 -1.254 564 HE3 MET 72 HE3 MET 72 -3.448 0.445 -0.497 565 HA PRO 73 HA PRO 73 -9.038 6.939 -1.596 566 HB2 PRO 73 HB2 PRO 73 -8.756 9.036 0.083 567 HB3 PRO 73 HB3 PRO 73 -10.250 8.048 0.065 568 HG2 PRO 73 HG2 PRO 73 -7.874 7.796 1.949 569 HG3 PRO 73 HG3 PRO 73 -9.613 7.913 2.376 570 HD2 PRO 73 HD2 PRO 73 -8.297 5.511 2.156 571 HD3 PRO 73 HD3 PRO 73 -10.025 5.705 1.726 572 H ASN 74 H ASN 74 -7.561 8.581 -2.374 573 HA ASN 74 HA ASN 74 -4.686 8.169 -1.746 574 HB2 ASN 74 HB2 ASN 74 -5.399 8.464 -4.094 575 HB3 ASN 74 HB3 ASN 74 -6.049 10.054 -3.703 576 HD21 ASN 74 HD21 ASN 74 -4.341 10.055 -5.667 577 HD22 ASN 74 HD22 ASN 74 -2.695 10.524 -5.187 578 H MET 75 H MET 75 -4.115 8.985 0.152 579 HA MET 75 HA MET 75 -5.270 11.377 1.339 580 HB2 MET 75 HB2 MET 75 -2.911 9.681 2.230 581 HB3 MET 75 HB3 MET 75 -3.758 10.897 3.197 582 HG2 MET 75 HG2 MET 75 -5.813 9.566 3.149 583 HG3 MET 75 HG3 MET 75 -5.056 8.379 2.088 584 HE1 MET 75 HE1 MET 75 -5.396 9.791 5.678 585 HE2 MET 75 HE2 MET 75 -4.129 8.944 6.589 586 HE3 MET 75 HE3 MET 75 -3.682 10.201 5.422 587 H ARG 76 H ARG 76 -4.261 12.176 -1.085 588 HA ARG 76 HA ARG 76 -2.734 13.361 -2.282 589 HB2 ARG 76 HB2 ARG 76 -2.460 14.881 0.330 590 HB3 ARG 76 HB3 ARG 76 -1.916 15.471 -1.235 591 HG2 ARG 76 HG2 ARG 76 -4.836 14.803 -0.629 592 HG3 ARG 76 HG3 ARG 76 -4.106 16.381 -0.380 593 HD2 ARG 76 HD2 ARG 76 -5.239 16.497 -2.457 594 HD3 ARG 76 HD3 ARG 76 -3.512 16.502 -2.800 595 HE ARG 76 HE ARG 76 -3.706 14.497 -3.909 596 HH11 ARG 76 HH11 ARG 76 -6.766 15.034 -2.150 597 HH12 ARG 76 HH12 ARG 76 -7.573 13.705 -2.953 598 HH21 ARG 76 HH21 ARG 76 -4.788 12.797 -4.912 599 HH22 ARG 76 HH22 ARG 76 -6.452 12.439 -4.513 600 H LEU 77 H LEU 77 -1.629 11.203 -2.104 601 HA LEU 77 HA LEU 77 0.815 11.059 -0.511 602 HB2 LEU 77 HB2 LEU 77 -0.374 9.228 -2.624 603 HB3 LEU 77 HB3 LEU 77 1.018 8.831 -1.624 604 HG LEU 77 HG LEU 77 -1.774 9.415 -0.523 605 HD11 LEU 77 HD11 LEU 77 -0.349 6.762 -0.922 606 HD12 LEU 77 HD12 LEU 77 -1.724 7.354 -1.876 607 HD13 LEU 77 HD13 LEU 77 -1.933 6.998 -0.151 608 HD21 LEU 77 HD21 LEU 77 -0.904 8.395 1.549 609 HD22 LEU 77 HD22 LEU 77 -0.009 9.854 1.139 610 HD23 LEU 77 HD23 LEU 77 0.712 8.264 0.816 611 H GLY 78 H GLY 78 2.659 11.942 -1.008 612 HA2 GLY 78 HA2 GLY 78 3.312 12.902 -3.712 613 HA3 GLY 78 HA3 GLY 78 4.274 13.100 -2.247 614 H ASP 79 H ASP 79 5.025 12.147 -5.014 615 HA ASP 79 HA ASP 79 5.400 9.339 -5.096 616 HB2 ASP 79 HB2 ASP 79 5.604 10.957 -6.987 617 HB3 ASP 79 HB3 ASP 79 7.151 11.500 -6.330 618 H ALA 80 H ALA 80 7.629 11.846 -3.834 619 HA ALA 80 HA ALA 80 9.729 9.945 -3.180 620 HB1 ALA 80 HB1 ALA 80 10.113 12.323 -3.813 621 HB2 ALA 80 HB2 ALA 80 9.319 12.837 -2.306 622 HB3 ALA 80 HB3 ALA 80 10.829 11.912 -2.250 623 H GLU 81 H GLU 81 6.971 11.311 -1.360 624 HA GLU 81 HA GLU 81 7.725 10.323 1.250 625 HB2 GLU 81 HB2 GLU 81 6.193 12.086 1.196 626 HB3 GLU 81 HB3 GLU 81 5.291 11.426 -0.168 627 HG2 GLU 81 HG2 GLU 81 4.328 9.699 1.209 628 HG3 GLU 81 HG3 GLU 81 5.262 10.251 2.617 629 H VAL 82 H VAL 82 5.766 9.018 -1.485 630 HA VAL 82 HA VAL 82 5.261 6.486 -0.192 631 HB VAL 82 HB VAL 82 5.174 7.298 -3.115 632 HG11 VAL 82 HG11 VAL 82 3.858 5.158 -3.389 633 HG12 VAL 82 HG12 VAL 82 5.562 4.883 -3.063 634 HG13 VAL 82 HG13 VAL 82 4.368 4.689 -1.757 635 HG21 VAL 82 HG21 VAL 82 2.743 7.193 -2.760 636 HG22 VAL 82 HG22 VAL 82 2.977 6.680 -1.075 637 HG23 VAL 82 HG23 VAL 82 3.451 8.309 -1.590 638 H SER 83 H SER 83 7.971 7.563 -2.343 639 HA SER 83 HA SER 83 9.250 5.030 -2.459 640 HB2 SER 83 HB2 SER 83 10.453 7.828 -2.464 641 HB3 SER 83 HB3 SER 83 11.343 6.348 -2.869 642 HG SER 83 HG SER 83 10.150 7.709 -4.590 643 H ALA 84 H ALA 84 9.367 7.468 0.180 644 HA ALA 84 HA ALA 84 11.252 5.972 1.794 645 HB1 ALA 84 HB1 ALA 84 10.476 7.445 3.599 646 HB2 ALA 84 HB2 ALA 84 10.826 8.367 2.126 647 HB3 ALA 84 HB3 ALA 84 9.143 8.024 2.578 648 H LEU 85 H LEU 85 7.686 5.869 1.450 649 HA LEU 85 HA LEU 85 7.233 3.915 3.505 650 HB2 LEU 85 HB2 LEU 85 5.667 5.533 1.966 651 HB3 LEU 85 HB3 LEU 85 5.463 4.041 1.080 652 HG LEU 85 HG LEU 85 3.649 4.394 2.605 653 HD11 LEU 85 HD11 LEU 85 3.577 2.330 3.834 654 HD12 LEU 85 HD12 LEU 85 5.346 2.197 3.817 655 HD13 LEU 85 HD13 LEU 85 4.428 2.039 2.304 656 HD21 LEU 85 HD21 LEU 85 4.841 5.822 4.256 657 HD22 LEU 85 HD22 LEU 85 5.611 4.375 4.937 658 HD23 LEU 85 HD23 LEU 85 3.847 4.563 5.005 659 H ILE 86 H ILE 86 8.160 3.570 0.087 660 HA ILE 86 HA ILE 86 8.058 0.671 -0.056 661 HB ILE 86 HB ILE 86 9.825 2.558 -1.631 662 HG12 ILE 86 HG12 ILE 86 7.668 3.203 -2.265 663 HG13 ILE 86 HG13 ILE 86 8.107 2.027 -3.462 664 HG21 ILE 86 HG21 ILE 86 9.087 -0.365 -2.080 665 HG22 ILE 86 HG22 ILE 86 9.941 0.673 -3.244 666 HG23 ILE 86 HG23 ILE 86 10.701 0.285 -1.706 667 HD11 ILE 86 HD11 ILE 86 5.829 1.649 -2.837 668 HD12 ILE 86 HD12 ILE 86 6.752 0.300 -2.150 669 HD13 ILE 86 HD13 ILE 86 6.200 1.638 -1.111 670 H SER 87 H SER 87 10.634 3.008 0.806 671 HA SER 87 HA SER 87 12.667 1.127 1.498 672 HB2 SER 87 HB2 SER 87 13.107 3.494 1.027 673 HB3 SER 87 HB3 SER 87 12.220 3.970 2.486 674 HG SER 87 HG SER 87 14.520 3.859 2.761 675 H TYR 88 H TYR 88 9.874 2.266 3.368 676 HA TYR 88 HA TYR 88 10.737 0.956 5.833 677 HB2 TYR 88 HB2 TYR 88 9.241 2.750 6.056 678 HB3 TYR 88 HB3 TYR 88 8.092 2.089 4.899 679 HD1 TYR 88 HD1 TYR 88 9.862 0.865 8.001 680 HD2 TYR 88 HD2 TYR 88 6.106 1.350 5.933 681 HE1 TYR 88 HE1 TYR 88 8.691 -0.264 9.852 682 HE2 TYR 88 HE2 TYR 88 4.939 0.167 7.796 683 HH TYR 88 HH TYR 88 6.750 -1.321 10.482 684 H LEU 89 H LEU 89 8.130 0.052 3.453 685 HA LEU 89 HA LEU 89 7.575 -2.397 4.701 686 HB2 LEU 89 HB2 LEU 89 6.896 -1.016 2.178 687 HB3 LEU 89 HB3 LEU 89 7.001 -2.752 1.970 688 HG LEU 89 HG LEU 89 5.411 -3.150 3.755 689 HD11 LEU 89 HD11 LEU 89 4.060 -1.292 4.712 690 HD12 LEU 89 HD12 LEU 89 5.195 -0.132 3.977 691 HD13 LEU 89 HD13 LEU 89 5.737 -1.254 5.245 692 HD21 LEU 89 HD21 LEU 89 3.415 -2.243 2.593 693 HD22 LEU 89 HD22 LEU 89 4.615 -2.852 1.441 694 HD23 LEU 89 HD23 LEU 89 4.456 -1.100 1.703 695 H GLU 90 H GLU 90 9.954 -1.857 2.060 696 HA GLU 90 HA GLU 90 10.716 -4.557 1.770 697 HB2 GLU 90 HB2 GLU 90 11.231 -2.559 0.290 698 HB3 GLU 90 HB3 GLU 90 12.453 -2.071 1.459 699 HG2 GLU 90 HG2 GLU 90 13.453 -3.248 -0.419 700 HG3 GLU 90 HG3 GLU 90 13.697 -4.170 1.065 701 H GLU 91 H GLU 91 11.846 -2.210 4.260 702 HA GLU 91 HA GLU 91 13.902 -4.150 5.160 703 HB2 GLU 91 HB2 GLU 91 14.820 -2.555 6.517 704 HB3 GLU 91 HB3 GLU 91 14.409 -1.710 5.030 705 HG2 GLU 91 HG2 GLU 91 12.373 -0.795 6.174 706 HG3 GLU 91 HG3 GLU 91 12.869 -1.606 7.663 707 H GLU 92 H GLU 92 10.747 -2.904 6.298 708 HA GLU 92 HA GLU 92 10.776 -4.304 8.796 709 HB2 GLU 92 HB2 GLU 92 9.210 -2.403 7.932 710 HB3 GLU 92 HB3 GLU 92 8.292 -3.702 7.177 711 HG2 GLU 92 HG2 GLU 92 7.179 -3.536 9.170 712 HG3 GLU 92 HG3 GLU 92 8.351 -4.762 9.631 713 H THR 93 H THR 93 9.785 -5.270 5.515 714 HA THR 93 HA THR 93 8.775 -7.889 6.115 715 HB THR 93 HB THR 93 10.071 -6.742 3.630 716 HG1 THR 93 HG1 THR 93 8.259 -5.776 3.938 717 HG21 THR 93 HG21 THR 93 8.903 -8.579 2.414 718 HG22 THR 93 HG22 THR 93 8.624 -9.391 3.974 719 HG23 THR 93 HG23 THR 93 10.270 -9.110 3.398 720 H ALA 94 H ALA 94 12.100 -6.735 5.784 721 HA ALA 94 HA ALA 94 13.214 -9.443 6.140 722 HB1 ALA 94 HB1 ALA 94 14.559 -6.714 5.987 723 HB2 ALA 94 HB2 ALA 94 15.364 -8.295 5.950 724 HB3 ALA 94 HB3 ALA 94 14.285 -7.827 4.624 725 H ARG 95 H ARG 95 12.033 -6.983 8.233 726 HA ARG 95 HA ARG 95 13.899 -7.439 10.425 727 HB2 ARG 95 HB2 ARG 95 12.819 -5.240 9.898 728 HB3 ARG 95 HB3 ARG 95 11.273 -5.915 10.439 729 HG2 ARG 95 HG2 ARG 95 12.269 -6.293 12.706 730 HG3 ARG 95 HG3 ARG 95 13.788 -5.569 12.132 731 HD2 ARG 95 HD2 ARG 95 12.549 -3.455 11.651 732 HD3 ARG 95 HD3 ARG 95 11.057 -4.223 12.235 733 HE ARG 95 HE ARG 95 13.197 -4.326 14.185 734 HH11 ARG 95 HH11 ARG 95 10.622 -2.227 12.899 735 HH12 ARG 95 HH12 ARG 95 10.512 -1.278 14.366 736 HH21 ARG 95 HH21 ARG 95 13.023 -3.080 16.072 737 HH22 ARG 95 HH22 ARG 95 11.866 -1.768 16.169 738 H LEU 96 H LEU 96 10.692 -8.631 9.587 739 HA LEU 96 HA LEU 96 9.721 -9.091 12.130 740 HB2 LEU 96 HB2 LEU 96 8.874 -9.577 9.425 741 HB3 LEU 96 HB3 LEU 96 8.518 -10.993 10.321 742 HG LEU 96 HG LEU 96 6.631 -9.534 10.162 743 HD11 LEU 96 HD11 LEU 96 6.909 -10.994 12.080 744 HD12 LEU 96 HD12 LEU 96 6.010 -9.520 12.512 745 HD13 LEU 96 HD13 LEU 96 7.725 -9.697 12.974 746 HD21 LEU 96 HD21 LEU 96 8.221 -7.568 11.833 747 HD22 LEU 96 HD22 LEU 96 6.571 -7.365 11.196 748 HD23 LEU 96 HD23 LEU 96 7.965 -7.445 10.086 749 H GLN 97 H GLN 97 12.097 -11.150 10.757 750 HA GLN 97 HA GLN 97 11.789 -13.405 12.486 751 HB2 GLN 97 HB2 GLN 97 14.176 -13.738 12.130 752 HB3 GLN 97 HB3 GLN 97 13.351 -13.337 10.632 753 HG2 GLN 97 HG2 GLN 97 14.173 -10.881 11.075 754 HG3 GLN 97 HG3 GLN 97 15.252 -11.619 12.257 755 HE21 GLN 97 HE21 GLN 97 14.695 -10.974 8.878 756 HE22 GLN 97 HE22 GLN 97 15.978 -11.990 8.234 757 H THR 98 H THR 98 12.417 -10.122 13.306 758 HA THR 98 HA THR 98 12.239 -10.872 16.192 759 HB THR 98 HB THR 98 14.426 -10.145 16.061 760 HG1 THR 98 HG1 THR 98 13.814 -7.871 17.067 761 HG21 THR 98 HG21 THR 98 15.195 -7.965 15.356 762 HG22 THR 98 HG22 THR 98 13.589 -7.550 14.721 763 HG23 THR 98 HG23 THR 98 14.539 -8.855 13.984 764 HA PRO 99 HA PRO 99 8.548 -8.395 15.014 765 HB2 PRO 99 HB2 PRO 99 6.750 -9.551 16.695 766 HB3 PRO 99 HB3 PRO 99 7.292 -10.361 15.199 767 HG2 PRO 99 HG2 PRO 99 8.337 -10.780 18.017 768 HG3 PRO 99 HG3 PRO 99 7.812 -12.022 16.835 769 HD2 PRO 99 HD2 PRO 99 10.425 -11.313 17.174 770 HD3 PRO 99 HD3 PRO 99 9.783 -11.787 15.571 771 H VAL 100 H VAL 100 10.625 -8.464 17.534 772 HA VAL 100 HA VAL 100 9.273 -6.897 19.574 773 HB VAL 100 HB VAL 100 12.015 -8.118 19.157 774 HG11 VAL 100 HG11 VAL 100 12.562 -7.433 21.504 775 HG12 VAL 100 HG12 VAL 100 12.468 -6.042 20.423 776 HG13 VAL 100 HG13 VAL 100 11.116 -6.409 21.529 777 HG21 VAL 100 HG21 VAL 100 9.793 -8.578 21.197 778 HG22 VAL 100 HG22 VAL 100 10.193 -9.627 19.818 779 HG23 VAL 100 HG23 VAL 100 11.348 -9.429 21.139 780 H THR 101 H THR 101 9.554 -4.835 20.083 781 HA THR 101 HA THR 101 10.327 -3.064 17.821 782 HB THR 101 HB THR 101 8.634 -1.539 18.687 783 HG1 THR 101 HG1 THR 101 8.323 -3.480 20.732 784 HG21 THR 101 HG21 THR 101 7.866 -3.352 17.184 785 HG22 THR 101 HG22 THR 101 6.618 -2.825 18.324 786 HG23 THR 101 HG23 THR 101 7.474 -4.355 18.598 787 H ASN 102 H ASN 102 10.922 -0.867 18.227 788 HA ASN 102 HA ASN 102 12.447 -0.335 20.748 789 HB2 ASN 102 HB2 ASN 102 13.985 -0.155 18.954 790 HB3 ASN 102 HB3 ASN 102 12.805 0.613 17.890 791 HD21 ASN 102 HD21 ASN 102 14.882 1.251 20.779 792 HD22 ASN 102 HD22 ASN 102 14.823 2.992 20.531 793 H ARG 103 H ARG 103 12.018 1.498 21.898 794 HA ARG 103 HA ARG 103 11.022 3.287 22.762 795 HB2 ARG 103 HB2 ARG 103 11.833 4.356 20.766 796 HB3 ARG 103 HB3 ARG 103 10.335 4.007 19.901 797 HG2 ARG 103 HG2 ARG 103 9.078 5.491 21.362 798 HG3 ARG 103 HG3 ARG 103 10.511 5.745 22.395 799 HD2 ARG 103 HD2 ARG 103 11.708 6.783 20.529 800 HD3 ARG 103 HD3 ARG 103 10.346 6.464 19.436 801 HE ARG 103 HE ARG 103 9.114 7.898 21.338 802 HH11 ARG 103 HH11 ARG 103 12.190 8.580 19.660 803 HH12 ARG 103 HH12 ARG 103 11.989 10.314 19.789 804 HH21 ARG 103 HH21 ARG 103 8.890 10.133 21.464 805 HH22 ARG 103 HH22 ARG 103 10.117 11.193 20.803 806 H GLY 104 H GLY 104 8.529 2.820 20.278 807 HA2 GLY 104 HA2 GLY 104 6.421 2.015 20.284 808 HA3 GLY 104 HA3 GLY 104 6.861 1.121 21.735 809 H ILE 105 H ILE 105 7.169 3.571 23.379 810 HA ILE 105 HA ILE 105 4.304 4.289 23.783 811 HB ILE 105 HB ILE 105 6.424 3.445 25.750 812 HG12 ILE 105 HG12 ILE 105 3.588 2.462 25.319 813 HG13 ILE 105 HG13 ILE 105 5.020 1.732 24.593 814 HG21 ILE 105 HG21 ILE 105 4.868 4.002 27.593 815 HG22 ILE 105 HG22 ILE 105 5.437 5.428 26.761 816 HG23 ILE 105 HG23 ILE 105 3.793 4.811 26.436 817 HD11 ILE 105 HD11 ILE 105 4.494 0.416 26.474 818 HD12 ILE 105 HD12 ILE 105 5.926 1.352 26.930 819 HD13 ILE 105 HD13 ILE 105 4.320 1.818 27.540 820 HA PRO 106 HA PRO 106 6.615 8.354 24.734 821 HB2 PRO 106 HB2 PRO 106 9.335 7.964 23.561 822 HB3 PRO 106 HB3 PRO 106 8.868 8.746 25.099 823 HG2 PRO 106 HG2 PRO 106 10.021 6.275 25.063 824 HG3 PRO 106 HG3 PRO 106 8.683 6.649 26.200 825 HD2 PRO 106 HD2 PRO 106 8.504 5.256 23.510 826 HD3 PRO 106 HD3 PRO 106 7.822 4.766 25.071 827 HHA HEC 107 HHA HEC 107 -4.519 -3.793 1.574 828 HHB HEC 107 HHB HEC 107 -0.170 0.925 1.070 829 HHC HEC 107 HHC HEC 107 -4.113 4.939 4.227 830 HHD HEC 107 HHD HEC 107 -8.568 0.247 4.525 831 HMA1 HEC 107 HMA1 HEC 107 0.411 -2.755 0.079 832 HMA2 HEC 107 HMA2 HEC 107 0.039 -1.344 -0.928 833 HMA3 HEC 107 HMA3 HEC 107 0.851 -1.144 0.647 834 HAA1 HEC 107 HAA1 HEC 107 -3.224 -4.112 -0.300 835 HAA2 HEC 107 HAA2 HEC 107 -1.631 -3.729 -0.895 836 HBA1 HEC 107 HBA1 HEC 107 -0.607 -4.873 1.062 837 HBA2 HEC 107 HBA2 HEC 107 -2.219 -5.252 1.674 838 HMB1 HEC 107 HMB1 HEC 107 0.353 3.131 0.595 839 HMB2 HEC 107 HMB2 HEC 107 0.158 4.728 1.284 840 HMB3 HEC 107 HMB3 HEC 107 1.049 3.489 2.201 841 HAB HEC 107 HAB HEC 107 -2.051 5.131 4.852 842 HBB1 HEC 107 HBB1 HEC 107 -0.385 6.779 4.592 843 HBB2 HEC 107 HBB2 HEC 107 0.379 5.921 3.242 844 HBB3 HEC 107 HBB3 HEC 107 -1.239 6.644 3.048 845 HMC1 HEC 107 HMC1 HEC 107 -5.838 5.779 5.190 846 HMC2 HEC 107 HMC2 HEC 107 -7.556 5.637 4.847 847 HMC3 HEC 107 HMC3 HEC 107 -6.909 5.128 6.423 848 HAC HEC 107 HAC HEC 107 -9.212 1.785 5.700 849 HBC1 HEC 107 HBC1 HEC 107 -9.871 4.002 4.773 850 HBC2 HEC 107 HBC2 HEC 107 -10.540 3.569 6.359 851 HBC3 HEC 107 HBC3 HEC 107 -9.223 4.732 6.263 852 HMD1 HEC 107 HMD1 HEC 107 -9.135 -3.439 4.197 853 HMD2 HEC 107 HMD2 HEC 107 -9.382 -1.789 4.743 854 HMD3 HEC 107 HMD3 HEC 107 -9.741 -2.216 3.055 855 HAD1 HEC 107 HAD1 HEC 107 -6.422 -4.870 1.978 856 HAD2 HEC 107 HAD2 HEC 107 -8.071 -4.643 2.522 857 HBD1 HEC 107 HBD1 HEC 107 -7.929 -4.732 0.054 858 HBD2 HEC 107 HBD2 HEC 107 -8.578 -3.189 0.624 Start of MODEL 17 1 H SER 1 H SER 1 13.520 3.889 6.958 2 HA SER 1 HA SER 1 12.765 6.227 8.480 3 HB2 SER 1 HB2 SER 1 14.382 6.297 6.647 4 HB3 SER 1 HB3 SER 1 13.162 5.709 5.505 5 HG SER 1 HG SER 1 13.365 7.911 5.317 6 H GLY 2 H GLY 2 11.131 4.353 5.908 7 HA2 GLY 2 HA2 GLY 2 8.686 5.827 5.849 8 HA3 GLY 2 HA3 GLY 2 8.921 4.183 5.296 9 H GLU 3 H GLU 3 9.824 3.738 8.416 10 HA GLU 3 HA GLU 3 7.239 2.620 9.101 11 HB2 GLU 3 HB2 GLU 3 9.364 1.567 9.799 12 HB3 GLU 3 HB3 GLU 3 9.672 2.932 10.899 13 HG2 GLU 3 HG2 GLU 3 7.659 2.450 12.167 14 HG3 GLU 3 HG3 GLU 3 7.143 1.255 10.981 15 H GLN 4 H GLN 4 9.009 5.555 10.211 16 HA GLN 4 HA GLN 4 7.022 6.438 12.055 17 HB2 GLN 4 HB2 GLN 4 9.355 7.374 11.733 18 HB3 GLN 4 HB3 GLN 4 8.780 8.148 10.249 19 HG2 GLN 4 HG2 GLN 4 7.040 9.361 11.682 20 HG3 GLN 4 HG3 GLN 4 7.813 8.654 13.102 21 HE21 GLN 4 HE21 GLN 4 7.851 11.207 13.445 22 HE22 GLN 4 HE22 GLN 4 9.355 11.964 12.864 23 H ILE 5 H ILE 5 7.220 6.768 8.497 24 HA ILE 5 HA ILE 5 4.939 8.554 8.283 25 HB ILE 5 HB ILE 5 6.157 6.787 6.128 26 HG12 ILE 5 HG12 ILE 5 6.853 9.614 7.053 27 HG13 ILE 5 HG13 ILE 5 7.900 8.192 7.094 28 HG21 ILE 5 HG21 ILE 5 4.478 9.331 5.911 29 HG22 ILE 5 HG22 ILE 5 5.112 8.360 4.561 30 HG23 ILE 5 HG23 ILE 5 3.872 7.690 5.605 31 HD11 ILE 5 HD11 ILE 5 6.998 9.733 4.662 32 HD12 ILE 5 HD12 ILE 5 8.642 9.482 5.268 33 HD13 ILE 5 HD13 ILE 5 7.741 8.115 4.564 34 H PHE 6 H PHE 6 5.315 4.975 7.941 35 HA PHE 6 HA PHE 6 2.533 4.475 7.480 36 HB2 PHE 6 HB2 PHE 6 4.257 2.774 7.082 37 HB3 PHE 6 HB3 PHE 6 4.650 2.737 8.799 38 HD1 PHE 6 HD1 PHE 6 1.842 2.159 6.374 39 HD2 PHE 6 HD2 PHE 6 3.430 1.310 10.294 40 HE1 PHE 6 HE1 PHE 6 -0.056 0.616 6.813 41 HE2 PHE 6 HE2 PHE 6 1.542 -0.232 10.724 42 HZ PHE 6 HZ PHE 6 -0.225 -0.556 8.992 43 H ARG 7 H ARG 7 4.388 4.721 10.546 44 HA ARG 7 HA ARG 7 2.227 4.067 12.275 45 HB2 ARG 7 HB2 ARG 7 4.751 4.046 12.690 46 HB3 ARG 7 HB3 ARG 7 4.616 5.777 12.987 47 HG2 ARG 7 HG2 ARG 7 4.615 4.570 15.074 48 HG3 ARG 7 HG3 ARG 7 3.001 5.258 14.862 49 HD2 ARG 7 HD2 ARG 7 2.088 3.103 14.227 50 HD3 ARG 7 HD3 ARG 7 3.709 2.402 14.059 51 HE ARG 7 HE ARG 7 3.394 3.337 16.718 52 HH11 ARG 7 HH11 ARG 7 2.170 0.732 14.608 53 HH12 ARG 7 HH12 ARG 7 1.955 -0.385 15.936 54 HH21 ARG 7 HH21 ARG 7 3.101 1.846 18.410 55 HH22 ARG 7 HH22 ARG 7 2.461 0.251 18.085 56 H THR 8 H THR 8 3.224 7.170 10.895 57 HA THR 8 HA THR 8 1.269 8.639 12.547 58 HB THR 8 HB THR 8 2.181 10.673 11.473 59 HG1 THR 8 HG1 THR 8 4.196 8.969 10.502 60 HG21 THR 8 HG21 THR 8 4.363 10.641 12.587 61 HG22 THR 8 HG22 THR 8 4.268 8.875 12.760 62 HG23 THR 8 HG23 THR 8 3.114 9.910 13.607 63 H ARG 9 H ARG 9 1.562 7.856 9.056 64 HA ARG 9 HA ARG 9 -1.001 9.343 8.614 65 HB2 ARG 9 HB2 ARG 9 1.148 8.465 6.655 66 HB3 ARG 9 HB3 ARG 9 -0.359 9.282 6.230 67 HG2 ARG 9 HG2 ARG 9 0.302 11.193 7.741 68 HG3 ARG 9 HG3 ARG 9 1.891 10.419 7.934 69 HD2 ARG 9 HD2 ARG 9 2.213 10.482 5.475 70 HD3 ARG 9 HD3 ARG 9 0.636 11.248 5.274 71 HE ARG 9 HE ARG 9 3.123 12.462 6.232 72 HH11 ARG 9 HH11 ARG 9 -0.411 12.925 5.990 73 HH12 ARG 9 HH12 ARG 9 -0.285 14.664 6.098 74 HH21 ARG 9 HH21 ARG 9 3.232 14.701 6.364 75 HH22 ARG 9 HH22 ARG 9 1.777 15.670 6.326 76 H CYS 10 H CYS 10 0.103 6.030 8.672 77 HA CYS 10 HA CYS 10 -2.301 5.192 7.090 78 HB2 CYS 10 HB2 CYS 10 0.508 4.152 6.729 79 HB3 CYS 10 HB3 CYS 10 -0.909 3.621 5.838 80 H SER 11 H SER 11 -1.311 4.842 10.135 81 HA SER 11 HA SER 11 -1.367 1.878 10.257 82 HB2 SER 11 HB2 SER 11 -0.796 4.100 12.207 83 HB3 SER 11 HB3 SER 11 -1.125 2.452 12.778 84 HG SER 11 HG SER 11 0.776 3.215 10.815 85 H SER 12 H SER 12 -3.665 4.483 10.797 86 HA SER 12 HA SER 12 -5.274 3.123 12.671 87 HB2 SER 12 HB2 SER 12 -6.139 5.343 10.810 88 HB3 SER 12 HB3 SER 12 -6.843 4.916 12.380 89 HG SER 12 HG SER 12 -5.253 6.699 12.271 90 H CYS 13 H CYS 13 -4.922 2.027 9.614 91 HA CYS 13 HA CYS 13 -7.390 0.410 9.866 92 HB2 CYS 13 HB2 CYS 13 -6.467 1.551 7.217 93 HB3 CYS 13 HB3 CYS 13 -7.886 0.563 7.494 94 H HIS 14 H HIS 14 -4.102 0.023 9.837 95 HA HIS 14 HA HIS 14 -4.320 -2.731 8.932 96 HB2 HIS 14 2HB HIS 14 -1.980 -1.714 7.536 97 HB3 HIS 14 3HB HIS 14 -3.282 -2.730 6.962 98 HD1 HIS 14 1HD HIS 14 -2.791 1.064 7.615 99 HD2 HIS 14 2HD HIS 14 -4.277 -1.695 4.834 100 HE1 HIS 14 1HE HIS 14 -3.547 2.441 5.699 101 H THR 15 H THR 15 -2.102 -3.882 9.070 102 HA THR 15 HA THR 15 -0.009 -2.398 10.587 103 HB THR 15 HB THR 15 0.610 -4.577 11.790 104 HG1 THR 15 HG1 THR 15 -0.718 -6.110 11.101 105 HG21 THR 15 HG21 THR 15 -0.183 -2.638 13.025 106 HG22 THR 15 HG22 THR 15 -0.883 -4.114 13.688 107 HG23 THR 15 HG23 THR 15 -1.881 -3.068 12.666 108 H VAL 16 H VAL 16 1.964 -2.557 9.625 109 HA VAL 16 HA VAL 16 2.569 -5.015 8.014 110 HB VAL 16 HB VAL 16 3.030 -3.473 6.457 111 HG11 VAL 16 HG11 VAL 16 3.883 -1.467 8.531 112 HG12 VAL 16 HG12 VAL 16 4.000 -1.244 6.767 113 HG13 VAL 16 HG13 VAL 16 2.415 -1.475 7.501 114 HG21 VAL 16 HG21 VAL 16 5.105 -4.730 6.915 115 HG22 VAL 16 HG22 VAL 16 5.368 -3.151 6.182 116 HG23 VAL 16 HG23 VAL 16 5.684 -3.364 7.910 117 H GLY 17 H GLY 17 3.254 -6.432 9.228 118 HA2 GLY 17 HA2 GLY 17 4.717 -7.687 10.483 119 HA3 GLY 17 HA3 GLY 17 5.753 -6.276 10.708 120 H ASN 18 H ASN 18 3.892 -4.586 11.911 121 HA ASN 18 HA ASN 18 4.249 -5.379 14.633 122 HB2 ASN 18 HB2 ASN 18 4.336 -3.027 13.116 123 HB3 ASN 18 HB3 ASN 18 2.914 -2.781 14.113 124 HD21 ASN 18 HD21 ASN 18 3.253 -2.386 16.356 125 HD22 ASN 18 HD22 ASN 18 4.902 -2.288 16.993 126 H THR 19 H THR 19 2.554 -7.180 13.890 127 HA THR 19 HA THR 19 -0.215 -6.697 13.973 128 HB THR 19 HB THR 19 0.826 -8.617 12.956 129 HG1 THR 19 HG1 THR 19 -1.119 -9.177 13.119 130 HG21 THR 19 HG21 THR 19 2.408 -9.119 14.831 131 HG22 THR 19 HG22 THR 19 1.523 -10.518 14.198 132 HG23 THR 19 HG23 THR 19 1.032 -9.771 15.742 133 H GLU 20 H GLU 20 -1.750 -6.573 15.480 134 HA GLU 20 HA GLU 20 -1.372 -7.443 18.259 135 HB2 GLU 20 HB2 GLU 20 -1.896 -4.532 17.502 136 HB3 GLU 20 HB3 GLU 20 -2.229 -5.199 19.093 137 HG2 GLU 20 HG2 GLU 20 0.216 -5.795 19.298 138 HG3 GLU 20 HG3 GLU 20 0.496 -4.892 17.798 139 HA PRO 21 HA PRO 21 -5.840 -7.892 17.581 140 HB2 PRO 21 HB2 PRO 21 -6.794 -8.360 20.073 141 HB3 PRO 21 HB3 PRO 21 -5.655 -9.486 19.277 142 HG2 PRO 21 HG2 PRO 21 -4.996 -7.276 21.259 143 HG3 PRO 21 HG3 PRO 21 -4.509 -9.000 21.326 144 HD2 PRO 21 HD2 PRO 21 -2.882 -7.055 20.291 145 HD3 PRO 21 HD3 PRO 21 -2.910 -8.716 19.630 146 H GLY 22 H GLY 22 -4.548 -5.058 18.584 147 HA2 GLY 22 HA2 GLY 22 -6.564 -3.904 20.240 148 HA3 GLY 22 HA3 GLY 22 -5.172 -3.095 19.543 149 H GLN 23 H GLN 23 -6.679 -4.083 16.781 150 HA GLN 23 HA GLN 23 -8.248 -1.541 16.643 151 HB2 GLN 23 HB2 GLN 23 -5.859 -1.560 15.760 152 HB3 GLN 23 HB3 GLN 23 -6.487 -2.514 14.408 153 HG2 GLN 23 HG2 GLN 23 -8.047 -0.699 13.839 154 HG3 GLN 23 HG3 GLN 23 -7.574 0.197 15.289 155 HE21 GLN 23 HE21 GLN 23 -6.504 -0.775 12.060 156 HE22 GLN 23 HE22 GLN 23 -5.041 0.257 12.081 157 HA PRO 24 HA PRO 24 -11.045 -4.809 15.090 158 HB2 PRO 24 HB2 PRO 24 -13.402 -3.851 16.052 159 HB3 PRO 24 HB3 PRO 24 -12.186 -4.640 17.110 160 HG2 PRO 24 HG2 PRO 24 -12.568 -1.662 16.634 161 HG3 PRO 24 HG3 PRO 24 -12.476 -2.520 18.202 162 HD2 PRO 24 HD2 PRO 24 -10.310 -1.325 17.089 163 HD3 PRO 24 HD3 PRO 24 -10.158 -2.866 17.993 164 H GLY 25 H GLY 25 -12.614 -4.851 13.423 165 HA2 GLY 25 HA2 GLY 25 -13.854 -4.143 11.621 166 HA3 GLY 25 HA3 GLY 25 -13.767 -2.495 12.237 167 H ILE 26 H ILE 26 -10.794 -2.364 12.065 168 HA ILE 26 HA ILE 26 -10.015 -3.211 9.406 169 HB ILE 26 HB ILE 26 -9.072 -0.636 9.168 170 HG12 ILE 26 HG12 ILE 26 -11.027 0.809 8.991 171 HG13 ILE 26 HG13 ILE 26 -12.023 -0.360 9.844 172 HG21 ILE 26 HG21 ILE 26 -10.393 -0.558 7.181 173 HG22 ILE 26 HG22 ILE 26 -9.713 -2.173 7.406 174 HG23 ILE 26 HG23 ILE 26 -11.431 -1.879 7.764 175 HD11 ILE 26 HD11 ILE 26 -10.595 -0.053 11.879 176 HD12 ILE 26 HD12 ILE 26 -9.574 1.069 10.963 177 HD13 ILE 26 HD13 ILE 26 -11.262 1.487 11.309 178 H GLY 27 H GLY 27 -8.386 -4.317 9.997 179 HA2 GLY 27 HA2 GLY 27 -5.879 -3.062 10.687 180 HA3 GLY 27 HA3 GLY 27 -6.509 -4.010 12.033 181 HA PRO 28 HA PRO 28 -5.651 -7.528 8.855 182 HB2 PRO 28 HB2 PRO 28 -5.205 -7.022 6.217 183 HB3 PRO 28 HB3 PRO 28 -6.855 -7.190 6.892 184 HG2 PRO 28 HG2 PRO 28 -5.315 -4.612 6.413 185 HG3 PRO 28 HG3 PRO 28 -6.977 -5.027 5.867 186 HD2 PRO 28 HD2 PRO 28 -6.576 -3.628 8.136 187 HD3 PRO 28 HD3 PRO 28 -7.834 -4.893 8.069 188 H ASP 29 H ASP 29 -3.662 -8.447 8.348 189 HA ASP 29 HA ASP 29 -1.313 -6.744 8.735 190 HB2 ASP 29 HB2 ASP 29 -1.885 -9.673 8.944 191 HB3 ASP 29 HB3 ASP 29 -0.252 -9.203 8.511 192 H LEU 30 H LEU 30 0.473 -6.665 7.430 193 HA LEU 30 HA LEU 30 -0.144 -6.814 4.487 194 HB2 LEU 30 HB2 LEU 30 1.426 -4.830 6.131 195 HB3 LEU 30 HB3 LEU 30 1.214 -4.728 4.400 196 HG LEU 30 HG LEU 30 -0.869 -4.338 6.577 197 HD11 LEU 30 HD11 LEU 30 0.286 -2.552 4.390 198 HD12 LEU 30 HD12 LEU 30 0.601 -2.439 6.134 199 HD13 LEU 30 HD13 LEU 30 -1.014 -2.082 5.498 200 HD21 LEU 30 HD21 LEU 30 -2.474 -3.796 4.730 201 HD22 LEU 30 HD22 LEU 30 -2.032 -5.501 4.765 202 HD23 LEU 30 HD23 LEU 30 -1.286 -4.435 3.560 203 H LEU 31 H LEU 31 2.346 -7.655 6.859 204 HA LEU 31 HA LEU 31 4.552 -6.871 5.441 205 HB2 LEU 31 HB2 LEU 31 4.493 -7.408 7.747 206 HB3 LEU 31 HB3 LEU 31 4.509 -9.133 7.406 207 HG LEU 31 HG LEU 31 6.652 -7.421 6.147 208 HD11 LEU 31 HD11 LEU 31 6.701 -8.111 9.089 209 HD12 LEU 31 HD12 LEU 31 6.564 -6.484 8.354 210 HD13 LEU 31 HD13 LEU 31 8.046 -7.435 8.128 211 HD21 LEU 31 HD21 LEU 31 6.573 -9.905 5.836 212 HD22 LEU 31 HD22 LEU 31 6.836 -10.091 7.583 213 HD23 LEU 31 HD23 LEU 31 8.068 -9.302 6.552 214 H GLY 32 H GLY 32 5.966 -7.532 4.025 215 HA2 GLY 32 HA2 GLY 32 7.026 -8.814 2.413 216 HA3 GLY 32 HA3 GLY 32 5.910 -10.147 2.625 217 H VAL 33 H VAL 33 4.489 -6.983 2.246 218 HA VAL 33 HA VAL 33 2.851 -7.822 0.139 219 HB VAL 33 HB VAL 33 2.164 -6.093 1.612 220 HG11 VAL 33 HG11 VAL 33 4.233 -4.239 0.378 221 HG12 VAL 33 HG12 VAL 33 2.962 -3.795 1.539 222 HG13 VAL 33 HG13 VAL 33 4.250 -4.885 2.036 223 HG21 VAL 33 HG21 VAL 33 1.130 -6.174 -0.599 224 HG22 VAL 33 HG22 VAL 33 1.122 -4.554 0.105 225 HG23 VAL 33 HG23 VAL 33 2.279 -4.952 -1.185 226 H THR 34 H THR 34 5.945 -6.042 -0.225 227 HA THR 34 HA THR 34 5.682 -5.515 -3.025 228 HB THR 34 HB THR 34 7.456 -4.484 -1.639 229 HG1 THR 34 HG1 THR 34 8.857 -4.505 -3.287 230 HG21 THR 34 HG21 THR 34 8.895 -7.175 -1.785 231 HG22 THR 34 HG22 THR 34 8.125 -6.517 -0.321 232 HG23 THR 34 HG23 THR 34 9.467 -5.664 -1.071 233 H ARG 35 H ARG 35 6.542 -8.523 -1.368 234 HA ARG 35 HA ARG 35 7.281 -9.896 -3.878 235 HB2 ARG 35 HB2 ARG 35 6.856 -11.015 -1.081 236 HB3 ARG 35 HB3 ARG 35 7.509 -11.889 -2.462 237 HG2 ARG 35 HG2 ARG 35 8.797 -9.497 -1.091 238 HG3 ARG 35 HG3 ARG 35 9.272 -11.189 -0.922 239 HD2 ARG 35 HD2 ARG 35 9.784 -11.247 -3.381 240 HD3 ARG 35 HD3 ARG 35 9.449 -9.512 -3.464 241 HE ARG 35 HE ARG 35 11.661 -10.842 -1.959 242 HH11 ARG 35 HH11 ARG 35 10.376 -7.824 -3.389 243 HH12 ARG 35 HH12 ARG 35 11.863 -6.951 -3.096 244 HH21 ARG 35 HH21 ARG 35 13.537 -9.662 -1.604 245 HH22 ARG 35 HH22 ARG 35 13.639 -7.982 -2.081 246 H GLN 36 H GLN 36 4.544 -9.808 -1.600 247 HA GLN 36 HA GLN 36 3.075 -11.879 -2.990 248 HB2 GLN 36 HB2 GLN 36 2.298 -9.942 -0.775 249 HB3 GLN 36 HB3 GLN 36 1.222 -11.172 -1.432 250 HG2 GLN 36 HG2 GLN 36 3.156 -12.860 -0.932 251 HG3 GLN 36 HG3 GLN 36 3.802 -11.587 0.109 252 HE21 GLN 36 HE21 GLN 36 0.865 -13.564 -0.530 253 HE22 GLN 36 HE22 GLN 36 0.313 -13.532 1.150 254 H ARG 37 H ARG 37 3.148 -8.408 -3.542 255 HA ARG 37 HA ARG 37 0.858 -8.737 -5.429 256 HB2 ARG 37 HB2 ARG 37 0.987 -7.205 -3.076 257 HB3 ARG 37 HB3 ARG 37 1.266 -6.029 -4.342 258 HG2 ARG 37 HG2 ARG 37 -1.092 -6.123 -3.890 259 HG3 ARG 37 HG3 ARG 37 -0.827 -6.817 -5.493 260 HD2 ARG 37 HD2 ARG 37 -2.479 -8.116 -4.272 261 HD3 ARG 37 HD3 ARG 37 -1.034 -9.104 -4.500 262 HE ARG 37 HE ARG 37 -1.088 -7.626 -1.986 263 HH11 ARG 37 HH11 ARG 37 -2.090 -10.685 -3.527 264 HH12 ARG 37 HH12 ARG 37 -2.201 -11.529 -1.999 265 HH21 ARG 37 HH21 ARG 37 -1.266 -8.750 -0.043 266 HH22 ARG 37 HH22 ARG 37 -1.742 -10.433 -0.028 267 H ASP 38 H ASP 38 4.037 -8.283 -5.656 268 HA ASP 38 HA ASP 38 5.480 -7.630 -7.248 269 HB2 ASP 38 HB2 ASP 38 3.943 -8.035 -9.082 270 HB3 ASP 38 HB3 ASP 38 3.209 -6.456 -8.866 271 H ALA 39 H ALA 39 6.953 -6.107 -7.318 272 HA ALA 39 HA ALA 39 6.746 -3.894 -5.548 273 HB1 ALA 39 HB1 ALA 39 8.836 -4.524 -7.686 274 HB2 ALA 39 HB2 ALA 39 9.053 -3.462 -6.282 275 HB3 ALA 39 HB3 ALA 39 8.815 -5.197 -6.044 276 H ASN 40 H ASN 40 6.425 -4.011 -9.139 277 HA ASN 40 HA ASN 40 6.583 -1.063 -9.313 278 HB2 ASN 40 HB2 ASN 40 7.566 -2.709 -10.999 279 HB3 ASN 40 HB3 ASN 40 5.918 -3.077 -11.498 280 HD21 ASN 40 HD21 ASN 40 4.615 -1.219 -12.463 281 HD22 ASN 40 HD22 ASN 40 5.519 0.122 -13.139 282 H TRP 41 H TRP 41 4.112 -3.621 -9.485 283 HA TRP 41 HA TRP 41 1.837 -1.930 -9.924 284 HB2 TRP 41 HB2 TRP 41 1.911 -4.455 -10.126 285 HB3 TRP 41 HB3 TRP 41 1.991 -4.533 -8.378 286 HD1 TRP 41 HD1 TRP 41 -0.459 -3.846 -11.211 287 HE1 TRP 41 HE1 TRP 41 -2.873 -3.791 -10.304 288 HE3 TRP 41 HE3 TRP 41 0.570 -4.020 -6.199 289 HZ2 TRP 41 HZ2 TRP 41 -4.150 -3.801 -7.734 290 HZ3 TRP 41 HZ3 TRP 41 -1.277 -3.889 -4.534 291 HH2 TRP 41 HH2 TRP 41 -3.639 -3.800 -5.289 292 H LEU 42 H LEU 42 3.375 -3.044 -6.843 293 HA LEU 42 HA LEU 42 1.551 -1.994 -5.055 294 HB2 LEU 42 HB2 LEU 42 3.343 -3.488 -4.452 295 HB3 LEU 42 HB3 LEU 42 4.570 -2.292 -4.873 296 HG LEU 42 HG LEU 42 3.929 -0.900 -2.952 297 HD11 LEU 42 HD11 LEU 42 1.847 -3.068 -2.439 298 HD12 LEU 42 HD12 LEU 42 1.548 -1.343 -2.726 299 HD13 LEU 42 HD13 LEU 42 2.353 -1.857 -1.237 300 HD21 LEU 42 HD21 LEU 42 4.291 -3.828 -2.206 301 HD22 LEU 42 HD22 LEU 42 4.715 -2.422 -1.205 302 HD23 LEU 42 HD23 LEU 42 5.595 -2.722 -2.707 303 H VAL 43 H VAL 43 4.302 -0.145 -6.444 304 HA VAL 43 HA VAL 43 3.744 2.347 -5.040 305 HB VAL 43 HB VAL 43 5.102 1.982 -7.732 306 HG11 VAL 43 HG11 VAL 43 6.251 4.099 -7.076 307 HG12 VAL 43 HG12 VAL 43 4.509 4.338 -7.208 308 HG13 VAL 43 HG13 VAL 43 5.265 4.178 -5.606 309 HG21 VAL 43 HG21 VAL 43 6.198 1.798 -4.918 310 HG22 VAL 43 HG22 VAL 43 6.297 0.585 -6.190 311 HG23 VAL 43 HG23 VAL 43 7.225 2.076 -6.345 312 H ARG 44 H ARG 44 2.829 1.107 -8.261 313 HA ARG 44 HA ARG 44 1.411 3.376 -9.185 314 HB2 ARG 44 HB2 ARG 44 2.370 1.425 -10.466 315 HB3 ARG 44 HB3 ARG 44 0.990 0.456 -9.941 316 HG2 ARG 44 HG2 ARG 44 -0.542 2.025 -11.127 317 HG3 ARG 44 HG3 ARG 44 0.863 3.009 -11.608 318 HD2 ARG 44 HD2 ARG 44 1.823 0.991 -12.750 319 HD3 ARG 44 HD3 ARG 44 0.352 0.089 -12.343 320 HE ARG 44 HE ARG 44 -0.477 2.411 -13.676 321 HH11 ARG 44 HH11 ARG 44 1.487 -0.463 -14.455 322 HH12 ARG 44 HH12 ARG 44 1.113 -0.389 -16.162 323 HH21 ARG 44 HH21 ARG 44 -0.942 2.462 -15.906 324 HH22 ARG 44 HH22 ARG 44 -0.262 1.259 -16.979 325 H TRP 45 H TRP 45 0.341 0.595 -7.313 326 HA TRP 45 HA TRP 45 -2.456 1.303 -7.085 327 HB2 TRP 45 HB2 TRP 45 -1.804 -0.970 -6.738 328 HB3 TRP 45 HB3 TRP 45 -0.567 -0.528 -5.583 329 HD1 TRP 45 HD1 TRP 45 -1.160 -1.188 -3.271 330 HE1 TRP 45 HE1 TRP 45 -3.285 -1.488 -1.852 331 HE3 TRP 45 HE3 TRP 45 -4.641 0.354 -6.673 332 HZ2 TRP 45 HZ2 TRP 45 -6.144 -1.234 -2.212 333 HZ3 TRP 45 HZ3 TRP 45 -7.054 0.236 -6.160 334 HH2 TRP 45 HH2 TRP 45 -7.824 -0.556 -3.923 335 H LEU 46 H LEU 46 0.188 1.484 -4.584 336 HA LEU 46 HA LEU 46 -1.651 2.799 -2.872 337 HB2 LEU 46 HB2 LEU 46 -0.325 2.180 -1.271 338 HB3 LEU 46 HB3 LEU 46 0.626 1.345 -2.484 339 HG LEU 46 HG LEU 46 1.238 4.118 -1.362 340 HD11 LEU 46 HD11 LEU 46 1.512 2.283 0.291 341 HD12 LEU 46 HD12 LEU 46 3.068 2.978 -0.185 342 HD13 LEU 46 HD13 LEU 46 2.555 1.413 -0.849 343 HD21 LEU 46 HD21 LEU 46 2.989 2.267 -3.025 344 HD22 LEU 46 HD22 LEU 46 3.411 3.886 -2.421 345 HD23 LEU 46 HD23 LEU 46 2.189 3.705 -3.681 346 H LYS 47 H LYS 47 0.435 4.228 -5.195 347 HA LYS 47 HA LYS 47 0.478 6.926 -4.154 348 HB2 LYS 47 HB2 LYS 47 1.998 5.959 -5.897 349 HB3 LYS 47 HB3 LYS 47 0.646 5.891 -7.024 350 HG2 LYS 47 HG2 LYS 47 0.476 8.334 -7.040 351 HG3 LYS 47 HG3 LYS 47 1.685 8.462 -5.743 352 HD2 LYS 47 HD2 LYS 47 3.394 7.447 -7.209 353 HD3 LYS 47 HD3 LYS 47 2.205 7.272 -8.510 354 HE2 LYS 47 HE2 LYS 47 1.922 9.738 -8.589 355 HE3 LYS 47 HE3 LYS 47 3.079 9.913 -7.261 356 HZ1 LYS 47 HZ1 LYS 47 4.745 8.833 -8.728 357 HZ2 LYS 47 HZ2 LYS 47 4.240 10.273 -9.324 358 HZ3 LYS 47 HZ3 LYS 47 3.705 8.860 -9.974 359 H VAL 48 H VAL 48 -1.892 5.116 -6.114 360 HA VAL 48 HA VAL 48 -3.903 7.219 -5.856 361 HB VAL 48 HB VAL 48 -2.384 8.147 -7.498 362 HG11 VAL 48 HG11 VAL 48 -2.234 7.342 -9.780 363 HG12 VAL 48 HG12 VAL 48 -1.495 6.221 -8.634 364 HG13 VAL 48 HG13 VAL 48 -3.064 5.845 -9.349 365 HG21 VAL 48 HG21 VAL 48 -4.075 8.807 -9.132 366 HG22 VAL 48 HG22 VAL 48 -5.174 7.582 -8.470 367 HG23 VAL 48 HG23 VAL 48 -4.611 8.909 -7.448 368 HA PRO 49 HA PRO 49 -5.710 2.861 -6.474 369 HB2 PRO 49 HB2 PRO 49 -7.473 3.049 -4.337 370 HB3 PRO 49 HB3 PRO 49 -5.809 2.404 -4.205 371 HG2 PRO 49 HG2 PRO 49 -6.719 5.251 -3.643 372 HG3 PRO 49 HG3 PRO 49 -5.768 4.159 -2.577 373 HD2 PRO 49 HD2 PRO 49 -4.440 5.904 -4.087 374 HD3 PRO 49 HD3 PRO 49 -3.892 4.230 -4.032 375 H ASP 50 H ASP 50 -7.038 6.083 -5.805 376 HA ASP 50 HA ASP 50 -9.650 5.887 -6.844 377 HB2 ASP 50 HB2 ASP 50 -7.631 8.176 -6.900 378 HB3 ASP 50 HB3 ASP 50 -9.343 8.359 -7.259 379 H GLN 51 H GLN 51 -6.616 5.953 -8.612 380 HA GLN 51 HA GLN 51 -7.933 6.376 -11.249 381 HB2 GLN 51 HB2 GLN 51 -5.889 7.652 -10.666 382 HB3 GLN 51 HB3 GLN 51 -5.016 6.125 -10.437 383 HG2 GLN 51 HG2 GLN 51 -5.398 5.581 -12.833 384 HG3 GLN 51 HG3 GLN 51 -6.219 7.132 -13.028 385 HE21 GLN 51 HE21 GLN 51 -3.141 5.534 -13.034 386 HE22 GLN 51 HE22 GLN 51 -2.170 6.996 -13.176 387 H MET 52 H MET 52 -6.236 3.925 -9.295 388 HA MET 52 HA MET 52 -6.008 2.016 -11.415 389 HB2 MET 52 HB2 MET 52 -4.533 2.060 -9.459 390 HB3 MET 52 HB3 MET 52 -5.882 1.575 -8.407 391 HG2 MET 52 HG2 MET 52 -6.136 -0.520 -9.555 392 HG3 MET 52 HG3 MET 52 -5.054 -0.012 -10.848 393 HE1 MET 52 HE1 MET 52 -1.525 -0.536 -9.471 394 HE2 MET 52 HE2 MET 52 -2.536 -0.387 -10.927 395 HE3 MET 52 HE3 MET 52 -2.435 0.966 -9.772 396 H LEU 53 H LEU 53 -8.528 2.201 -8.744 397 HA LEU 53 HA LEU 53 -9.865 -0.090 -9.939 398 HB2 LEU 53 HB2 LEU 53 -9.865 0.491 -7.504 399 HB3 LEU 53 HB3 LEU 53 -10.923 1.855 -7.867 400 HG LEU 53 HG LEU 53 -12.655 0.304 -8.679 401 HD11 LEU 53 HD11 LEU 53 -11.373 -1.628 -9.497 402 HD12 LEU 53 HD12 LEU 53 -12.450 -2.172 -8.213 403 HD13 LEU 53 HD13 LEU 53 -10.728 -1.930 -7.875 404 HD21 LEU 53 HD21 LEU 53 -12.578 0.949 -6.293 405 HD22 LEU 53 HD22 LEU 53 -11.581 -0.478 -5.937 406 HD23 LEU 53 HD23 LEU 53 -13.249 -0.676 -6.503 407 H ALA 54 H ALA 54 -9.902 3.292 -10.667 408 HA ALA 54 HA ALA 54 -12.299 3.218 -12.346 409 HB1 ALA 54 HB1 ALA 54 -9.928 5.131 -12.347 410 HB2 ALA 54 HB2 ALA 54 -11.467 5.349 -13.198 411 HB3 ALA 54 HB3 ALA 54 -11.436 5.331 -11.426 412 H GLU 55 H GLU 55 -8.800 2.560 -12.820 413 HA GLU 55 HA GLU 55 -8.997 1.791 -15.598 414 HB2 GLU 55 HB2 GLU 55 -6.918 2.432 -14.086 415 HB3 GLU 55 HB3 GLU 55 -6.966 0.755 -13.577 416 HG2 GLU 55 HG2 GLU 55 -5.336 1.103 -15.317 417 HG3 GLU 55 HG3 GLU 55 -6.592 0.001 -15.873 418 H LYS 56 H LYS 56 -10.472 0.489 -13.003 419 HA LYS 56 HA LYS 56 -11.333 -1.430 -12.245 420 HB2 LYS 56 HB2 LYS 56 -10.601 -2.718 -14.887 421 HB3 LYS 56 HB3 LYS 56 -11.637 -3.394 -13.649 422 HG2 LYS 56 HG2 LYS 56 -13.313 -1.680 -13.942 423 HG3 LYS 56 HG3 LYS 56 -12.292 -0.774 -15.064 424 HD2 LYS 56 HD2 LYS 56 -13.283 -3.604 -15.575 425 HD3 LYS 56 HD3 LYS 56 -14.100 -2.160 -16.167 426 HE2 LYS 56 HE2 LYS 56 -11.170 -2.729 -16.806 427 HE3 LYS 56 HE3 LYS 56 -12.489 -3.402 -17.767 428 HZ1 LYS 56 HZ1 LYS 56 -12.156 -0.474 -17.352 429 HZ2 LYS 56 HZ2 LYS 56 -13.234 -1.258 -18.322 430 HZ3 LYS 56 HZ3 LYS 56 -11.649 -1.337 -18.680 431 H ASP 57 H ASP 57 -8.469 -2.359 -14.053 432 HA ASP 57 HA ASP 57 -6.652 -3.576 -13.647 433 HB2 ASP 57 HB2 ASP 57 -6.332 -1.386 -12.322 434 HB3 ASP 57 HB3 ASP 57 -6.424 -2.412 -10.888 435 HA PRO 58 HA PRO 58 -9.085 -6.901 -12.031 436 HB2 PRO 58 HB2 PRO 58 -7.589 -9.061 -12.926 437 HB3 PRO 58 HB3 PRO 58 -8.704 -8.064 -13.902 438 HG2 PRO 58 HG2 PRO 58 -5.707 -7.720 -13.680 439 HG3 PRO 58 HG3 PRO 58 -6.701 -7.848 -15.174 440 HD2 PRO 58 HD2 PRO 58 -5.982 -5.468 -14.206 441 HD3 PRO 58 HD3 PRO 58 -7.671 -5.693 -14.766 442 H LEU 59 H LEU 59 -5.583 -6.913 -11.376 443 HA LEU 59 HA LEU 59 -5.677 -8.562 -9.031 444 HB2 LEU 59 HB2 LEU 59 -3.633 -8.002 -10.271 445 HB3 LEU 59 HB3 LEU 59 -3.774 -6.310 -9.778 446 HG LEU 59 HG LEU 59 -3.346 -6.902 -7.442 447 HD11 LEU 59 HD11 LEU 59 -2.666 -9.229 -6.848 448 HD12 LEU 59 HD12 LEU 59 -3.184 -9.775 -8.457 449 HD13 LEU 59 HD13 LEU 59 -4.370 -9.136 -7.298 450 HD21 LEU 59 HD21 LEU 59 -1.403 -8.262 -9.357 451 HD22 LEU 59 HD22 LEU 59 -1.024 -7.686 -7.718 452 HD23 LEU 59 HD23 LEU 59 -1.435 -6.531 -8.988 453 H ALA 60 H ALA 60 -6.328 -5.051 -9.419 454 HA ALA 60 HA ALA 60 -6.535 -4.563 -6.554 455 HB1 ALA 60 HB1 ALA 60 -7.655 -2.933 -8.857 456 HB2 ALA 60 HB2 ALA 60 -7.431 -2.427 -7.170 457 HB3 ALA 60 HB3 ALA 60 -6.017 -2.755 -8.189 458 H MET 61 H MET 61 -8.891 -5.185 -9.244 459 HA MET 61 HA MET 61 -11.274 -5.128 -7.728 460 HB2 MET 61 HB2 MET 61 -10.756 -7.192 -9.879 461 HB3 MET 61 HB3 MET 61 -12.279 -6.469 -9.345 462 HG2 MET 61 HG2 MET 61 -11.518 -4.277 -10.275 463 HG3 MET 61 HG3 MET 61 -10.068 -5.083 -10.868 464 HE1 MET 61 HE1 MET 61 -13.752 -4.418 -11.220 465 HE2 MET 61 HE2 MET 61 -14.352 -5.578 -12.436 466 HE3 MET 61 HE3 MET 61 -13.903 -6.137 -10.804 467 H LEU 62 H LEU 62 -8.933 -7.808 -8.129 468 HA LEU 62 HA LEU 62 -10.252 -9.728 -6.421 469 HB2 LEU 62 HB2 LEU 62 -7.608 -9.318 -7.731 470 HB3 LEU 62 HB3 LEU 62 -7.540 -10.205 -6.237 471 HG LEU 62 HG LEU 62 -9.185 -11.854 -7.051 472 HD11 LEU 62 HD11 LEU 62 -10.407 -10.455 -8.706 473 HD12 LEU 62 HD12 LEU 62 -9.812 -11.964 -9.412 474 HD13 LEU 62 HD13 LEU 62 -8.967 -10.438 -9.740 475 HD21 LEU 62 HD21 LEU 62 -6.786 -11.420 -8.883 476 HD22 LEU 62 HD22 LEU 62 -7.688 -12.946 -8.700 477 HD23 LEU 62 HD23 LEU 62 -6.788 -12.277 -7.332 478 H LEU 63 H LEU 63 -7.686 -7.253 -5.732 479 HA LEU 63 HA LEU 63 -7.170 -8.258 -3.104 480 HB2 LEU 63 HB2 LEU 63 -5.608 -6.974 -4.546 481 HB3 LEU 63 HB3 LEU 63 -6.643 -5.568 -4.471 482 HG LEU 63 HG LEU 63 -4.563 -5.455 -3.138 483 HD11 LEU 63 HD11 LEU 63 -6.962 -5.282 -1.293 484 HD12 LEU 63 HD12 LEU 63 -6.616 -4.105 -2.582 485 HD13 LEU 63 HD13 LEU 63 -5.466 -4.351 -1.252 486 HD21 LEU 63 HD21 LEU 63 -4.337 -6.673 -1.044 487 HD22 LEU 63 HD22 LEU 63 -4.512 -7.816 -2.392 488 HD23 LEU 63 HD23 LEU 63 -5.885 -7.492 -1.318 489 H PHE 64 H PHE 64 -9.222 -5.670 -4.345 490 HA PHE 64 HA PHE 64 -9.809 -4.772 -1.620 491 HB2 PHE 64 HB2 PHE 64 -10.320 -2.863 -2.519 492 HB3 PHE 64 HB3 PHE 64 -9.856 -3.498 -4.071 493 HD1 PHE 64 HD1 PHE 64 -11.642 -4.377 -5.640 494 HD2 PHE 64 HD2 PHE 64 -12.575 -2.326 -1.975 495 HE1 PHE 64 HE1 PHE 64 -13.928 -3.887 -6.497 496 HE2 PHE 64 HE2 PHE 64 -14.850 -1.812 -2.834 497 HZ PHE 64 HZ PHE 64 -15.526 -2.583 -5.098 498 H GLU 65 H GLU 65 -11.749 -6.608 -4.019 499 HA GLU 65 HA GLU 65 -14.001 -6.860 -2.251 500 HB2 GLU 65 HB2 GLU 65 -13.146 -8.627 -4.573 501 HB3 GLU 65 HB3 GLU 65 -14.685 -8.719 -3.712 502 HG2 GLU 65 HG2 GLU 65 -15.004 -6.233 -4.300 503 HG3 GLU 65 HG3 GLU 65 -13.706 -6.443 -5.461 504 H GLN 66 H GLN 66 -10.901 -8.394 -2.017 505 HA GLN 66 HA GLN 66 -12.068 -10.391 -0.135 506 HB2 GLN 66 HB2 GLN 66 -9.500 -10.438 -1.758 507 HB3 GLN 66 HB3 GLN 66 -9.905 -11.647 -0.557 508 HG2 GLN 66 HG2 GLN 66 -11.743 -11.118 -2.932 509 HG3 GLN 66 HG3 GLN 66 -10.378 -12.212 -3.016 510 HE21 GLN 66 HE21 GLN 66 -10.763 -14.379 -2.464 511 HE22 GLN 66 HE22 GLN 66 -12.054 -14.863 -1.381 512 H TYR 67 H TYR 67 -10.490 -7.471 0.103 513 HA TYR 67 HA TYR 67 -9.647 -8.190 2.893 514 HB2 TYR 67 HB2 TYR 67 -8.467 -6.205 0.960 515 HB3 TYR 67 HB3 TYR 67 -8.310 -5.985 2.691 516 HD1 TYR 67 HD2 TYR 67 -7.649 -8.636 0.088 517 HD2 TYR 67 HD1 TYR 67 -6.502 -6.851 3.838 518 HE1 TYR 67 HE2 TYR 67 -5.569 -10.001 0.107 519 HE2 TYR 67 HE1 TYR 67 -4.413 -8.204 3.850 520 HH TYR 67 HH TYR 67 -3.115 -9.735 2.712 521 H ASN 68 H ASN 68 -12.205 -8.032 2.688 522 HA ASN 68 HA ASN 68 -14.125 -7.088 3.277 523 HB2 ASN 68 HB2 ASN 68 -12.738 -7.162 5.398 524 HB3 ASN 68 HB3 ASN 68 -12.528 -5.419 5.222 525 HD21 ASN 68 HD21 ASN 68 -13.597 -5.356 7.360 526 HD22 ASN 68 HD22 ASN 68 -15.365 -5.356 7.386 527 H ARG 69 H ARG 69 -12.793 -5.670 1.058 528 HA ARG 69 HA ARG 69 -13.459 -4.066 -0.415 529 HB2 ARG 69 HB2 ARG 69 -15.093 -6.014 -0.076 530 HB3 ARG 69 HB3 ARG 69 -16.184 -4.831 0.646 531 HG2 ARG 69 HG2 ARG 69 -16.060 -3.511 -1.505 532 HG3 ARG 69 HG3 ARG 69 -14.991 -4.764 -2.163 533 HD2 ARG 69 HD2 ARG 69 -16.819 -6.449 -1.738 534 HD3 ARG 69 HD3 ARG 69 -17.889 -5.118 -1.278 535 HE ARG 69 HE ARG 69 -17.096 -5.948 -3.938 536 HH11 ARG 69 HH11 ARG 69 -18.192 -3.077 -2.115 537 HH12 ARG 69 HH12 ARG 69 -18.801 -2.283 -3.549 538 HH21 ARG 69 HH21 ARG 69 -17.909 -4.889 -5.748 539 HH22 ARG 69 HH22 ARG 69 -18.654 -3.312 -5.601 540 H LEU 70 H LEU 70 -12.493 -2.256 1.198 541 HA LEU 70 HA LEU 70 -14.674 -0.271 1.762 542 HB2 LEU 70 HB2 LEU 70 -11.747 -0.158 2.534 543 HB3 LEU 70 HB3 LEU 70 -12.978 1.036 2.910 544 HG LEU 70 HG LEU 70 -12.721 -1.758 4.048 545 HD11 LEU 70 HD11 LEU 70 -11.385 0.064 5.051 546 HD12 LEU 70 HD12 LEU 70 -12.648 -0.508 6.167 547 HD13 LEU 70 HD13 LEU 70 -12.860 1.019 5.294 548 HD21 LEU 70 HD21 LEU 70 -14.766 -1.303 5.374 549 HD22 LEU 70 HD22 LEU 70 -15.138 -1.423 3.655 550 HD23 LEU 70 HD23 LEU 70 -15.051 0.175 4.430 551 H ALA 71 H ALA 71 -11.917 -0.708 -0.385 552 HA ALA 71 HA ALA 71 -11.073 0.473 -2.091 553 HB1 ALA 71 HB1 ALA 71 -13.241 0.168 -3.142 554 HB2 ALA 71 HB2 ALA 71 -13.866 1.639 -2.365 555 HB3 ALA 71 HB3 ALA 71 -12.567 1.748 -3.567 556 H MET 72 H MET 72 -9.767 1.396 -0.358 557 HA MET 72 HA MET 72 -10.245 3.801 0.933 558 HB2 MET 72 HB2 MET 72 -7.901 3.761 1.540 559 HB3 MET 72 HB3 MET 72 -8.541 2.118 1.534 560 HG2 MET 72 HG2 MET 72 -7.565 1.837 -0.794 561 HG3 MET 72 HG3 MET 72 -6.831 3.432 -0.609 562 HE1 MET 72 HE1 MET 72 -4.428 2.789 -1.052 563 HE2 MET 72 HE2 MET 72 -3.704 1.263 -0.513 564 HE3 MET 72 HE3 MET 72 -5.142 1.243 -1.553 565 HA PRO 73 HA PRO 73 -9.152 7.119 -1.980 566 HB2 PRO 73 HB2 PRO 73 -8.632 9.164 -0.279 567 HB3 PRO 73 HB3 PRO 73 -10.284 8.497 -0.454 568 HG2 PRO 73 HG2 PRO 73 -8.222 7.808 1.670 569 HG3 PRO 73 HG3 PRO 73 -9.931 8.292 1.906 570 HD2 PRO 73 HD2 PRO 73 -9.154 5.680 1.859 571 HD3 PRO 73 HD3 PRO 73 -10.723 6.203 1.182 572 H ASN 74 H ASN 74 -7.218 8.349 -2.658 573 HA ASN 74 HA ASN 74 -4.795 6.902 -2.045 574 HB2 ASN 74 HB2 ASN 74 -3.803 8.033 -3.795 575 HB3 ASN 74 HB3 ASN 74 -5.483 7.835 -4.302 576 HD21 ASN 74 HD21 ASN 74 -6.709 9.691 -4.680 577 HD22 ASN 74 HD22 ASN 74 -5.909 11.278 -4.764 578 H MET 75 H MET 75 -6.030 9.868 -0.736 579 HA MET 75 HA MET 75 -5.393 11.204 0.903 580 HB2 MET 75 HB2 MET 75 -3.427 9.072 1.767 581 HB3 MET 75 HB3 MET 75 -4.085 10.380 2.753 582 HG2 MET 75 HG2 MET 75 -6.400 9.432 2.333 583 HG3 MET 75 HG3 MET 75 -5.621 8.056 1.551 584 HE1 MET 75 HE1 MET 75 -6.785 9.665 4.842 585 HE2 MET 75 HE2 MET 75 -5.686 8.989 6.065 586 HE3 MET 75 HE3 MET 75 -5.079 10.169 4.885 587 H ARG 76 H ARG 76 -3.595 11.069 -1.663 588 HA ARG 76 HA ARG 76 -1.976 12.310 -2.603 589 HB2 ARG 76 HB2 ARG 76 -3.059 14.383 -0.668 590 HB3 ARG 76 HB3 ARG 76 -2.177 14.709 -2.166 591 HG2 ARG 76 HG2 ARG 76 -3.991 13.568 -3.460 592 HG3 ARG 76 HG3 ARG 76 -4.899 13.345 -1.949 593 HD2 ARG 76 HD2 ARG 76 -4.868 15.825 -1.607 594 HD3 ARG 76 HD3 ARG 76 -4.069 16.001 -3.182 595 HE ARG 76 HE ARG 76 -6.511 14.456 -3.343 596 HH11 ARG 76 HH11 ARG 76 -5.303 17.812 -3.236 597 HH12 ARG 76 HH12 ARG 76 -6.740 18.461 -3.995 598 HH21 ARG 76 HH21 ARG 76 -8.341 15.339 -4.337 599 HH22 ARG 76 HH22 ARG 76 -8.455 17.062 -4.622 600 H LEU 77 H LEU 77 -0.386 10.796 -1.459 601 HA LEU 77 HA LEU 77 1.323 11.881 0.630 602 HB2 LEU 77 HB2 LEU 77 1.630 9.608 -1.363 603 HB3 LEU 77 HB3 LEU 77 2.840 9.982 -0.143 604 HG LEU 77 HG LEU 77 -0.027 9.209 0.541 605 HD11 LEU 77 HD11 LEU 77 0.955 6.999 1.083 606 HD12 LEU 77 HD12 LEU 77 2.527 7.539 0.459 607 HD13 LEU 77 HD13 LEU 77 1.127 7.386 -0.635 608 HD21 LEU 77 HD21 LEU 77 2.533 9.368 2.212 609 HD22 LEU 77 HD22 LEU 77 0.963 8.752 2.778 610 HD23 LEU 77 HD23 LEU 77 1.133 10.453 2.340 611 H GLY 78 H GLY 78 3.143 13.058 0.512 612 HA2 GLY 78 HA2 GLY 78 4.070 14.326 -1.910 613 HA3 GLY 78 HA3 GLY 78 4.905 14.297 -0.355 614 H ASP 79 H ASP 79 5.946 13.922 -3.126 615 HA ASP 79 HA ASP 79 6.281 11.182 -3.704 616 HB2 ASP 79 HB2 ASP 79 7.639 11.832 -5.491 617 HB3 ASP 79 HB3 ASP 79 6.495 13.155 -5.286 618 H ALA 80 H ALA 80 8.223 13.135 -1.513 619 HA ALA 80 HA ALA 80 10.369 11.110 -1.353 620 HB1 ALA 80 HB1 ALA 80 9.911 13.557 0.391 621 HB2 ALA 80 HB2 ALA 80 11.375 12.590 0.250 622 HB3 ALA 80 HB3 ALA 80 10.835 13.556 -1.132 623 H GLU 81 H GLU 81 7.313 11.843 0.238 624 HA GLU 81 HA GLU 81 7.764 10.066 2.516 625 HB2 GLU 81 HB2 GLU 81 5.136 11.106 1.370 626 HB3 GLU 81 HB3 GLU 81 5.360 10.257 2.895 627 HG2 GLU 81 HG2 GLU 81 6.913 12.112 3.634 628 HG3 GLU 81 HG3 GLU 81 6.462 13.000 2.170 629 H VAL 82 H VAL 82 6.181 9.760 -0.710 630 HA VAL 82 HA VAL 82 5.573 6.959 -0.474 631 HB VAL 82 HB VAL 82 6.347 8.476 -3.004 632 HG11 VAL 82 HG11 VAL 82 6.509 6.013 -3.348 633 HG12 VAL 82 HG12 VAL 82 4.884 5.799 -2.670 634 HG13 VAL 82 HG13 VAL 82 5.114 6.660 -4.195 635 HG21 VAL 82 HG21 VAL 82 3.621 7.829 -1.794 636 HG22 VAL 82 HG22 VAL 82 4.346 9.446 -1.963 637 HG23 VAL 82 HG23 VAL 82 3.889 8.536 -3.399 638 H SER 83 H SER 83 8.653 8.561 -1.705 639 HA SER 83 HA SER 83 10.018 6.134 -2.209 640 HB2 SER 83 HB2 SER 83 11.152 8.806 -1.285 641 HB3 SER 83 HB3 SER 83 12.122 7.413 -1.798 642 HG SER 83 HG SER 83 11.938 8.527 -3.579 643 H ALA 84 H ALA 84 9.890 7.943 0.921 644 HA ALA 84 HA ALA 84 11.620 6.085 2.299 645 HB1 ALA 84 HB1 ALA 84 10.651 7.216 4.328 646 HB2 ALA 84 HB2 ALA 84 11.330 8.321 3.122 647 HB3 ALA 84 HB3 ALA 84 9.570 8.120 3.238 648 H LEU 85 H LEU 85 8.035 6.224 1.902 649 HA LEU 85 HA LEU 85 7.530 3.935 3.558 650 HB2 LEU 85 HB2 LEU 85 5.959 5.792 2.968 651 HB3 LEU 85 HB3 LEU 85 5.854 5.154 1.330 652 HG LEU 85 HG LEU 85 4.773 3.105 2.181 653 HD11 LEU 85 HD11 LEU 85 5.045 4.408 4.931 654 HD12 LEU 85 HD12 LEU 85 5.796 2.884 4.402 655 HD13 LEU 85 HD13 LEU 85 4.045 2.984 4.562 656 HD21 LEU 85 HD21 LEU 85 3.560 5.697 3.266 657 HD22 LEU 85 HD22 LEU 85 2.686 4.182 3.043 658 HD23 LEU 85 HD23 LEU 85 3.343 5.034 1.634 659 H ILE 86 H ILE 86 8.341 4.242 0.163 660 HA ILE 86 HA ILE 86 7.969 1.450 -0.623 661 HB ILE 86 HB ILE 86 8.940 3.985 -1.828 662 HG12 ILE 86 HG12 ILE 86 7.720 3.212 -3.747 663 HG13 ILE 86 HG13 ILE 86 7.618 1.569 -3.096 664 HG21 ILE 86 HG21 ILE 86 10.132 1.420 -2.904 665 HG22 ILE 86 HG22 ILE 86 10.101 2.989 -3.723 666 HG23 ILE 86 HG23 ILE 86 11.011 2.814 -2.231 667 HD11 ILE 86 HD11 ILE 86 6.038 2.293 -1.375 668 HD12 ILE 86 HD12 ILE 86 6.259 3.992 -1.845 669 HD13 ILE 86 HD13 ILE 86 5.487 2.853 -2.958 670 H SER 87 H SER 87 10.632 3.394 0.660 671 HA SER 87 HA SER 87 12.577 1.279 0.633 672 HB2 SER 87 HB2 SER 87 12.416 3.693 2.463 673 HB3 SER 87 HB3 SER 87 13.799 2.616 2.239 674 HG SER 87 HG SER 87 12.566 4.328 0.322 675 H TYR 88 H TYR 88 10.153 2.317 3.100 676 HA TYR 88 HA TYR 88 10.895 0.216 4.919 677 HB2 TYR 88 HB2 TYR 88 9.691 2.150 5.664 678 HB3 TYR 88 HB3 TYR 88 8.301 1.756 4.651 679 HD1 TYR 88 HD2 TYR 88 10.204 -0.720 6.768 680 HD2 TYR 88 HD1 TYR 88 6.644 1.695 6.380 681 HE1 TYR 88 HE2 TYR 88 9.209 -1.860 8.722 682 HE2 TYR 88 HE1 TYR 88 5.665 0.545 8.361 683 HH TYR 88 HH TYR 88 6.096 -0.901 10.161 684 H LEU 89 H LEU 89 8.307 0.269 2.408 685 HA LEU 89 HA LEU 89 7.408 -2.379 2.993 686 HB2 LEU 89 HB2 LEU 89 6.803 -0.304 0.942 687 HB3 LEU 89 HB3 LEU 89 6.363 -1.956 0.563 688 HG LEU 89 HG LEU 89 4.972 -2.193 2.490 689 HD11 LEU 89 HD11 LEU 89 6.141 -0.877 4.206 690 HD12 LEU 89 HD12 LEU 89 4.462 -0.370 4.062 691 HD13 LEU 89 HD13 LEU 89 5.747 0.623 3.339 692 HD21 LEU 89 HD21 LEU 89 4.456 0.503 1.172 693 HD22 LEU 89 HD22 LEU 89 3.250 -0.510 2.005 694 HD23 LEU 89 HD23 LEU 89 4.003 -1.083 0.511 695 H GLU 90 H GLU 90 10.308 -1.689 1.539 696 HA GLU 90 HA GLU 90 10.453 -4.516 0.585 697 HB2 GLU 90 HB2 GLU 90 11.048 -2.498 -0.992 698 HB3 GLU 90 HB3 GLU 90 12.527 -2.396 -0.024 699 HG2 GLU 90 HG2 GLU 90 12.933 -4.824 -0.537 700 HG3 GLU 90 HG3 GLU 90 11.506 -4.822 -1.565 701 H GLU 91 H GLU 91 11.802 -2.169 2.905 702 HA GLU 91 HA GLU 91 13.895 -3.953 3.867 703 HB2 GLU 91 HB2 GLU 91 12.732 -1.334 4.846 704 HB3 GLU 91 HB3 GLU 91 13.959 -2.222 5.757 705 HG2 GLU 91 HG2 GLU 91 15.579 -2.066 4.034 706 HG3 GLU 91 HG3 GLU 91 14.402 -1.604 2.818 707 H GLU 92 H GLU 92 10.495 -3.423 4.789 708 HA GLU 92 HA GLU 92 10.456 -5.083 7.109 709 HB2 GLU 92 HB2 GLU 92 8.043 -5.321 6.650 710 HB3 GLU 92 HB3 GLU 92 8.621 -3.674 6.586 711 HG2 GLU 92 HG2 GLU 92 7.327 -3.540 4.784 712 HG3 GLU 92 HG3 GLU 92 8.731 -4.186 3.935 713 H THR 93 H THR 93 10.371 -5.956 3.684 714 HA THR 93 HA THR 93 9.924 -8.775 4.101 715 HB THR 93 HB THR 93 11.130 -7.300 1.736 716 HG1 THR 93 HG1 THR 93 8.662 -7.183 2.668 717 HG21 THR 93 HG21 THR 93 9.682 -9.972 1.751 718 HG22 THR 93 HG22 THR 93 11.463 -9.804 1.694 719 HG23 THR 93 HG23 THR 93 10.488 -9.141 0.388 720 H ALA 94 H ALA 94 12.860 -6.784 3.672 721 HA ALA 94 HA ALA 94 14.761 -8.929 3.782 722 HB1 ALA 94 HB1 ALA 94 15.290 -6.658 2.983 723 HB2 ALA 94 HB2 ALA 94 15.063 -6.017 4.630 724 HB3 ALA 94 HB3 ALA 94 16.373 -7.160 4.293 725 H ARG 95 H ARG 95 13.035 -7.174 6.351 726 HA ARG 95 HA ARG 95 14.484 -8.440 8.509 727 HB2 ARG 95 HB2 ARG 95 13.386 -6.206 8.624 728 HB3 ARG 95 HB3 ARG 95 11.819 -6.992 8.528 729 HG2 ARG 95 HG2 ARG 95 12.147 -6.442 10.778 730 HG3 ARG 95 HG3 ARG 95 12.357 -8.181 10.703 731 HD2 ARG 95 HD2 ARG 95 14.661 -6.178 10.697 732 HD3 ARG 95 HD3 ARG 95 13.975 -6.860 12.166 733 HE ARG 95 HE ARG 95 14.633 -9.099 11.408 734 HH11 ARG 95 HH11 ARG 95 16.362 -6.348 9.915 735 HH12 ARG 95 HH12 ARG 95 17.763 -7.319 9.526 736 HH21 ARG 95 HH21 ARG 95 16.478 -10.293 10.897 737 HH22 ARG 95 HH22 ARG 95 17.832 -9.537 10.089 738 H LEU 96 H LEU 96 11.168 -8.959 7.229 739 HA LEU 96 HA LEU 96 9.608 -10.512 7.562 740 HB2 LEU 96 HB2 LEU 96 11.770 -11.705 6.375 741 HB3 LEU 96 HB3 LEU 96 11.468 -12.814 7.650 742 HG LEU 96 HG LEU 96 10.446 -13.673 5.756 743 HD11 LEU 96 HD11 LEU 96 8.050 -13.645 6.178 744 HD12 LEU 96 HD12 LEU 96 8.245 -12.211 7.217 745 HD13 LEU 96 HD13 LEU 96 8.979 -13.767 7.679 746 HD21 LEU 96 HD21 LEU 96 9.305 -10.911 5.285 747 HD22 LEU 96 HD22 LEU 96 8.936 -12.360 4.302 748 HD23 LEU 96 HD23 LEU 96 10.592 -11.731 4.381 749 H GLN 97 H GLN 97 10.833 -9.484 10.042 750 HA GLN 97 HA GLN 97 9.897 -11.375 12.143 751 HB2 GLN 97 HB2 GLN 97 12.654 -10.071 11.888 752 HB3 GLN 97 HB3 GLN 97 12.071 -10.812 13.362 753 HG2 GLN 97 HG2 GLN 97 11.990 -13.005 12.336 754 HG3 GLN 97 HG3 GLN 97 12.532 -12.342 10.793 755 HE21 GLN 97 HE21 GLN 97 13.685 -13.827 13.623 756 HE22 GLN 97 HE22 GLN 97 15.336 -13.203 13.564 757 H THR 98 H THR 98 10.455 -10.019 14.353 758 HA THR 98 HA THR 98 10.224 -8.192 15.706 759 HB THR 98 HB THR 98 11.279 -6.540 13.419 760 HG1 THR 98 HG1 THR 98 12.475 -8.592 14.916 761 HG21 THR 98 HG21 THR 98 10.792 -5.387 15.617 762 HG22 THR 98 HG22 THR 98 12.496 -5.401 15.174 763 HG23 THR 98 HG23 THR 98 11.901 -6.527 16.411 764 HA PRO 99 HA PRO 99 6.391 -6.000 15.141 765 HB2 PRO 99 HB2 PRO 99 5.058 -7.444 17.035 766 HB3 PRO 99 HB3 PRO 99 4.915 -7.843 15.300 767 HG2 PRO 99 HG2 PRO 99 6.634 -9.147 17.406 768 HG3 PRO 99 HG3 PRO 99 5.663 -9.924 16.127 769 HD2 PRO 99 HD2 PRO 99 8.377 -9.479 15.953 770 HD3 PRO 99 HD3 PRO 99 7.316 -9.572 14.526 771 H VAL 100 H VAL 100 6.726 -4.313 16.618 772 HA VAL 100 HA VAL 100 7.542 -4.903 19.361 773 HB VAL 100 HB VAL 100 9.684 -4.976 18.080 774 HG11 VAL 100 HG11 VAL 100 9.238 -3.213 16.410 775 HG12 VAL 100 HG12 VAL 100 9.325 -1.978 17.682 776 HG13 VAL 100 HG13 VAL 100 10.751 -2.961 17.288 777 HG21 VAL 100 HG21 VAL 100 9.520 -2.702 20.099 778 HG22 VAL 100 HG22 VAL 100 9.581 -4.438 20.495 779 HG23 VAL 100 HG23 VAL 100 10.945 -3.675 19.662 780 H THR 101 H THR 101 6.905 -3.331 20.823 781 HA THR 101 HA THR 101 5.631 -0.869 19.700 782 HB THR 101 HB THR 101 3.693 -1.281 21.211 783 HG1 THR 101 HG1 THR 101 3.499 -3.683 21.599 784 HG21 THR 101 HG21 THR 101 4.119 -3.486 19.153 785 HG22 THR 101 HG22 THR 101 3.573 -1.823 18.806 786 HG23 THR 101 HG23 THR 101 2.574 -2.889 19.792 787 H ASN 102 H ASN 102 5.209 0.802 21.073 788 HA ASN 102 HA ASN 102 5.772 2.437 22.447 789 HB2 ASN 102 HB2 ASN 102 4.322 1.164 23.910 790 HB3 ASN 102 HB3 ASN 102 5.686 0.238 24.527 791 HD21 ASN 102 HD21 ASN 102 4.972 0.973 26.640 792 HD22 ASN 102 HD22 ASN 102 5.406 2.585 27.184 793 H ARG 103 H ARG 103 7.823 -0.014 23.991 794 HA ARG 103 HA ARG 103 10.253 1.696 23.637 795 HB2 ARG 103 HB2 ARG 103 9.067 0.628 26.224 796 HB3 ARG 103 HB3 ARG 103 10.740 1.184 26.110 797 HG2 ARG 103 HG2 ARG 103 10.085 3.429 25.551 798 HG3 ARG 103 HG3 ARG 103 8.384 2.963 25.406 799 HD2 ARG 103 HD2 ARG 103 8.347 2.310 27.792 800 HD3 ARG 103 HD3 ARG 103 10.030 2.852 27.961 801 HE ARG 103 HE ARG 103 8.931 5.085 26.994 802 HH11 ARG 103 HH11 ARG 103 7.667 2.960 29.572 803 HH12 ARG 103 HH12 ARG 103 6.840 4.273 30.384 804 HH21 ARG 103 HH21 ARG 103 7.856 6.746 28.089 805 HH22 ARG 103 HH22 ARG 103 6.940 6.406 29.540 806 H GLY 104 H GLY 104 9.057 -1.300 23.019 807 HA2 GLY 104 HA2 GLY 104 10.936 -3.027 24.270 808 HA3 GLY 104 HA3 GLY 104 9.857 -3.438 22.940 809 H ILE 105 H ILE 105 11.928 -0.920 21.927 810 HA ILE 105 HA ILE 105 13.224 -2.866 20.167 811 HB ILE 105 HB ILE 105 11.720 -1.162 19.265 812 HG12 ILE 105 HG12 ILE 105 14.546 -0.868 18.175 813 HG13 ILE 105 HG13 ILE 105 13.485 -2.250 17.883 814 HG21 ILE 105 HG21 ILE 105 12.334 0.712 20.780 815 HG22 ILE 105 HG22 ILE 105 13.889 0.875 19.934 816 HG23 ILE 105 HG23 ILE 105 12.358 1.180 19.094 817 HD11 ILE 105 HD11 ILE 105 13.400 -0.760 15.982 818 HD12 ILE 105 HD12 ILE 105 11.829 -0.695 16.809 819 HD13 ILE 105 HD13 ILE 105 13.005 0.627 16.997 820 HA PRO 106 HA PRO 106 17.092 -0.285 21.077 821 HB2 PRO 106 HB2 PRO 106 17.640 0.695 23.542 822 HB3 PRO 106 HB3 PRO 106 16.583 1.552 22.377 823 HG2 PRO 106 HG2 PRO 106 15.775 -0.233 24.662 824 HG3 PRO 106 HG3 PRO 106 15.106 1.372 24.232 825 HD2 PRO 106 HD2 PRO 106 13.949 -1.029 23.491 826 HD3 PRO 106 HD3 PRO 106 13.810 0.452 22.494 827 HHA HEC 107 HHA HEC 107 -5.129 -2.947 0.919 828 HHB HEC 107 HHB HEC 107 -0.500 1.550 1.258 829 HHC HEC 107 HHC HEC 107 -4.432 5.375 4.665 830 HHD HEC 107 HHD HEC 107 -8.860 0.616 4.740 831 HMA1 HEC 107 HMA1 HEC 107 0.465 -0.466 0.686 832 HMA2 HEC 107 HMA2 HEC 107 0.025 -1.987 -0.074 833 HMA3 HEC 107 HMA3 HEC 107 -0.263 -0.467 -0.937 834 HAA1 HEC 107 HAA1 HEC 107 -3.461 -3.473 -0.575 835 HAA2 HEC 107 HAA2 HEC 107 -1.816 -3.062 -0.984 836 HBA1 HEC 107 HBA1 HEC 107 -1.086 -3.878 1.283 837 HBA2 HEC 107 HBA2 HEC 107 -2.743 -4.420 1.574 838 HMB1 HEC 107 HMB1 HEC 107 0.433 5.049 2.425 839 HMB2 HEC 107 HMB2 HEC 107 0.748 3.337 2.211 840 HMB3 HEC 107 HMB3 HEC 107 -0.073 4.272 0.936 841 HAB HEC 107 HAB HEC 107 -2.430 6.056 4.897 842 HBB1 HEC 107 HBB1 HEC 107 -0.843 6.887 2.472 843 HBB2 HEC 107 HBB2 HEC 107 -2.607 7.030 2.625 844 HBB3 HEC 107 HBB3 HEC 107 -1.535 7.928 3.730 845 HMC1 HEC 107 HMC1 HEC 107 -6.004 5.935 6.096 846 HMC2 HEC 107 HMC2 HEC 107 -7.557 6.114 5.264 847 HMC3 HEC 107 HMC3 HEC 107 -7.473 5.379 6.874 848 HAC HEC 107 HAC HEC 107 -9.366 1.984 6.143 849 HBC1 HEC 107 HBC1 HEC 107 -10.236 3.991 5.012 850 HBC2 HEC 107 HBC2 HEC 107 -10.889 3.678 6.619 851 HBC3 HEC 107 HBC3 HEC 107 -9.686 4.961 6.396 852 HMD1 HEC 107 HMD1 HEC 107 -9.357 -3.075 4.010 853 HMD2 HEC 107 HMD2 HEC 107 -9.560 -1.547 4.854 854 HMD3 HEC 107 HMD3 HEC 107 -10.188 -1.746 3.194 855 HAD1 HEC 107 HAD1 HEC 107 -7.203 -3.989 1.158 856 HAD2 HEC 107 HAD2 HEC 107 -8.816 -3.666 1.778 857 HBD1 HEC 107 HBD1 HEC 107 -7.472 -2.000 -0.390 858 HBD2 HEC 107 HBD2 HEC 107 -8.622 -3.296 -0.679 Start of MODEL 18 1 H SER 1 H SER 1 13.399 4.654 8.090 2 HA SER 1 HA SER 1 13.077 3.146 5.552 3 HB2 SER 1 HB2 SER 1 12.924 2.249 8.448 4 HB3 SER 1 HB3 SER 1 12.781 1.192 7.032 5 HG SER 1 HG SER 1 14.880 1.604 6.473 6 H GLY 2 H GLY 2 11.225 5.339 6.131 7 HA2 GLY 2 HA2 GLY 2 8.976 5.753 5.830 8 HA3 GLY 2 HA3 GLY 2 8.737 4.060 5.532 9 H GLU 3 H GLU 3 10.064 4.161 8.543 10 HA GLU 3 HA GLU 3 7.784 3.068 9.722 11 HB2 GLU 3 HB2 GLU 3 9.054 2.863 11.707 12 HB3 GLU 3 HB3 GLU 3 10.114 2.574 10.340 13 HG2 GLU 3 HG2 GLU 3 10.035 5.057 12.098 14 HG3 GLU 3 HG3 GLU 3 11.241 3.816 12.124 15 H GLN 4 H GLN 4 9.105 6.354 10.435 16 HA GLN 4 HA GLN 4 6.976 7.033 12.260 17 HB2 GLN 4 HB2 GLN 4 8.919 8.808 10.733 18 HB3 GLN 4 HB3 GLN 4 7.867 9.343 12.038 19 HG2 GLN 4 HG2 GLN 4 10.135 7.322 12.296 20 HG3 GLN 4 HG3 GLN 4 10.175 8.991 12.814 21 HE21 GLN 4 HE21 GLN 4 10.509 6.431 14.410 22 HE22 GLN 4 HE22 GLN 4 9.343 6.612 15.703 23 H ILE 5 H ILE 5 7.366 7.420 8.741 24 HA ILE 5 HA ILE 5 5.016 9.129 8.430 25 HB ILE 5 HB ILE 5 6.530 7.400 6.426 26 HG12 ILE 5 HG12 ILE 5 6.634 10.436 6.776 27 HG13 ILE 5 HG13 ILE 5 7.771 9.375 7.581 28 HG21 ILE 5 HG21 ILE 5 5.407 8.723 4.670 29 HG22 ILE 5 HG22 ILE 5 4.191 7.925 5.655 30 HG23 ILE 5 HG23 ILE 5 4.519 9.650 5.898 31 HD11 ILE 5 HD11 ILE 5 8.810 10.204 5.586 32 HD12 ILE 5 HD12 ILE 5 8.516 8.467 5.394 33 HD13 ILE 5 HD13 ILE 5 7.466 9.650 4.577 34 H PHE 6 H PHE 6 5.539 5.537 8.139 35 HA PHE 6 HA PHE 6 2.764 5.017 7.587 36 HB2 PHE 6 HB2 PHE 6 4.717 3.433 7.248 37 HB3 PHE 6 HB3 PHE 6 4.712 3.145 8.982 38 HD1 PHE 6 HD2 PHE 6 2.608 2.154 10.054 39 HD2 PHE 6 HD1 PHE 6 3.113 2.393 5.786 40 HE1 PHE 6 HE2 PHE 6 0.698 0.625 9.749 41 HE2 PHE 6 HE1 PHE 6 1.217 0.820 5.477 42 HZ PHE 6 HZ PHE 6 0.001 -0.069 7.463 43 H ARG 7 H ARG 7 4.591 5.103 10.663 44 HA ARG 7 HA ARG 7 2.626 4.461 12.539 45 HB2 ARG 7 HB2 ARG 7 5.014 4.780 12.990 46 HB3 ARG 7 HB3 ARG 7 4.854 6.514 12.710 47 HG2 ARG 7 HG2 ARG 7 3.417 6.721 14.710 48 HG3 ARG 7 HG3 ARG 7 3.531 4.972 14.976 49 HD2 ARG 7 HD2 ARG 7 6.029 5.210 15.141 50 HD3 ARG 7 HD3 ARG 7 5.827 6.965 14.966 51 HE ARG 7 HE ARG 7 4.448 5.506 17.158 52 HH11 ARG 7 HH11 ARG 7 6.921 7.935 16.288 53 HH12 ARG 7 HH12 ARG 7 7.024 8.545 17.923 54 HH21 ARG 7 HH21 ARG 7 4.616 6.345 19.236 55 HH22 ARG 7 HH22 ARG 7 5.730 7.649 19.582 56 H THR 8 H THR 8 3.115 7.580 10.898 57 HA THR 8 HA THR 8 0.934 8.823 12.478 58 HB THR 8 HB THR 8 1.603 10.907 11.213 59 HG1 THR 8 HG1 THR 8 3.955 9.502 10.592 60 HG21 THR 8 HG21 THR 8 2.388 10.415 13.511 61 HG22 THR 8 HG22 THR 8 3.579 11.303 12.557 62 HG23 THR 8 HG23 THR 8 3.799 9.560 12.844 63 H ARG 9 H ARG 9 1.542 8.056 9.026 64 HA ARG 9 HA ARG 9 -1.022 9.332 8.356 65 HB2 ARG 9 HB2 ARG 9 1.163 8.264 6.548 66 HB3 ARG 9 HB3 ARG 9 -0.324 9.045 6.025 67 HG2 ARG 9 HG2 ARG 9 0.432 11.000 7.655 68 HG3 ARG 9 HG3 ARG 9 2.024 10.251 7.497 69 HD2 ARG 9 HD2 ARG 9 1.857 12.008 5.869 70 HD3 ARG 9 HD3 ARG 9 1.793 10.471 4.981 71 HE ARG 9 HE ARG 9 -0.851 11.053 5.449 72 HH11 ARG 9 HH11 ARG 9 1.751 12.955 3.912 73 HH12 ARG 9 HH12 ARG 9 0.637 13.838 2.894 74 HH21 ARG 9 HH21 ARG 9 -2.243 12.224 4.121 75 HH22 ARG 9 HH22 ARG 9 -1.619 13.426 3.014 76 H CYS 10 H CYS 10 0.098 6.036 8.625 77 HA CYS 10 HA CYS 10 -2.288 5.066 7.097 78 HB2 CYS 10 HB2 CYS 10 0.596 4.206 6.752 79 HB3 CYS 10 HB3 CYS 10 -0.779 3.577 5.850 80 H SER 11 H SER 11 -1.413 4.855 10.099 81 HA SER 11 HA SER 11 -1.134 1.904 10.377 82 HB2 SER 11 HB2 SER 11 -0.899 4.174 12.366 83 HB3 SER 11 HB3 SER 11 -0.783 2.456 12.796 84 HG SER 11 HG SER 11 0.848 3.795 10.900 85 H SER 12 H SER 12 -3.735 4.103 10.308 86 HA SER 12 HA SER 12 -5.339 3.178 12.419 87 HB2 SER 12 HB2 SER 12 -7.200 4.283 11.186 88 HB3 SER 12 HB3 SER 12 -5.746 5.278 11.350 89 HG SER 12 HG SER 12 -6.634 5.353 9.254 90 H CYS 13 H CYS 13 -5.178 1.828 9.136 91 HA CYS 13 HA CYS 13 -7.337 -0.139 9.802 92 HB2 CYS 13 HB2 CYS 13 -6.261 0.714 7.106 93 HB3 CYS 13 HB3 CYS 13 -7.646 -0.328 7.404 94 H HIS 14 H HIS 14 -3.952 -0.049 9.413 95 HA HIS 14 HA HIS 14 -3.654 -2.922 9.331 96 HB2 HIS 14 2HB HIS 14 -2.000 -2.677 7.280 97 HB3 HIS 14 3HB HIS 14 -3.714 -2.978 7.057 98 HD1 HIS 14 1HD HIS 14 -2.467 0.651 7.673 99 HD2 HIS 14 2HD HIS 14 -3.750 -2.044 4.729 100 HE1 HIS 14 1HE HIS 14 -3.032 2.073 5.697 101 H THR 15 H THR 15 -1.332 -3.504 9.190 102 HA THR 15 HA THR 15 0.608 -1.535 10.110 103 HB THR 15 HB THR 15 -0.680 -2.250 12.191 104 HG1 THR 15 HG1 THR 15 0.991 -1.780 13.246 105 HG21 THR 15 HG21 THR 15 0.016 -4.211 13.363 106 HG22 THR 15 HG22 THR 15 1.118 -4.687 12.049 107 HG23 THR 15 HG23 THR 15 -0.642 -4.728 11.805 108 H VAL 16 H VAL 16 2.781 -2.520 10.500 109 HA VAL 16 HA VAL 16 3.247 -4.602 8.368 110 HB VAL 16 HB VAL 16 4.989 -2.177 8.847 111 HG11 VAL 16 HG11 VAL 16 4.667 -4.021 6.444 112 HG12 VAL 16 HG12 VAL 16 5.833 -2.687 6.625 113 HG13 VAL 16 HG13 VAL 16 5.977 -4.119 7.645 114 HG21 VAL 16 HG21 VAL 16 2.496 -2.385 7.148 115 HG22 VAL 16 HG22 VAL 16 3.026 -1.096 8.217 116 HG23 VAL 16 HG23 VAL 16 3.850 -1.317 6.674 117 H GLY 17 H GLY 17 3.623 -6.279 9.589 118 HA2 GLY 17 HA2 GLY 17 4.861 -7.761 10.853 119 HA3 GLY 17 HA3 GLY 17 6.118 -6.539 11.060 120 H ASN 18 H ASN 18 3.645 -4.819 12.197 121 HA ASN 18 HA ASN 18 4.353 -5.366 14.954 122 HB2 ASN 18 HB2 ASN 18 3.577 -3.099 13.442 123 HB3 ASN 18 HB3 ASN 18 2.199 -3.396 14.491 124 HD21 ASN 18 HD21 ASN 18 3.044 -4.128 16.861 125 HD22 ASN 18 HD22 ASN 18 4.257 -3.007 17.493 126 H THR 19 H THR 19 2.335 -7.076 13.219 127 HA THR 19 HA THR 19 -0.229 -6.503 14.168 128 HB THR 19 HB THR 19 0.548 -9.058 12.747 129 HG1 THR 19 HG1 THR 19 1.341 -7.862 11.263 130 HG21 THR 19 HG21 THR 19 -1.533 -8.696 11.517 131 HG22 THR 19 HG22 THR 19 -1.828 -7.188 12.397 132 HG23 THR 19 HG23 THR 19 -1.874 -8.740 13.263 133 H GLU 20 H GLU 20 -1.632 -7.413 15.546 134 HA GLU 20 HA GLU 20 -0.634 -9.159 17.656 135 HB2 GLU 20 HB2 GLU 20 -2.713 -8.691 18.744 136 HB3 GLU 20 HB3 GLU 20 -2.101 -7.215 18.036 137 HG2 GLU 20 HG2 GLU 20 -3.712 -7.556 16.097 138 HG3 GLU 20 HG3 GLU 20 -4.366 -8.942 16.958 139 HA PRO 21 HA PRO 21 -2.356 -13.143 16.463 140 HB2 PRO 21 HB2 PRO 21 -4.002 -13.054 18.997 141 HB3 PRO 21 HB3 PRO 21 -3.046 -14.410 18.319 142 HG2 PRO 21 HG2 PRO 21 -2.005 -12.939 20.327 143 HG3 PRO 21 HG3 PRO 21 -0.983 -13.331 18.909 144 HD2 PRO 21 HD2 PRO 21 -2.508 -10.774 19.476 145 HD3 PRO 21 HD3 PRO 21 -0.809 -10.974 18.944 146 H GLY 22 H GLY 22 -3.877 -13.556 14.977 147 HA2 GLY 22 HA2 GLY 22 -5.925 -13.440 13.802 148 HA3 GLY 22 HA3 GLY 22 -6.555 -12.270 14.967 149 H GLN 23 H GLN 23 -4.190 -12.718 12.341 150 HA GLN 23 HA GLN 23 -3.264 -10.105 12.187 151 HB2 GLN 23 HB2 GLN 23 -3.421 -12.204 10.009 152 HB3 GLN 23 HB3 GLN 23 -2.575 -10.665 9.827 153 HG2 GLN 23 HG2 GLN 23 -1.073 -11.232 11.703 154 HG3 GLN 23 HG3 GLN 23 -1.924 -12.767 11.931 155 HE21 GLN 23 HE21 GLN 23 -2.032 -14.227 9.933 156 HE22 GLN 23 HE22 GLN 23 -0.653 -14.222 8.847 157 HA PRO 24 HA PRO 24 -6.248 -8.690 8.827 158 HB2 PRO 24 HB2 PRO 24 -8.531 -9.984 8.121 159 HB3 PRO 24 HB3 PRO 24 -6.922 -10.418 7.475 160 HG2 PRO 24 HG2 PRO 24 -8.420 -11.730 9.767 161 HG3 PRO 24 HG3 PRO 24 -7.610 -12.516 8.377 162 HD2 PRO 24 HD2 PRO 24 -6.418 -12.249 10.818 163 HD3 PRO 24 HD3 PRO 24 -5.488 -12.166 9.291 164 H GLY 25 H GLY 25 -6.743 -6.967 10.106 165 HA2 GLY 25 HA2 GLY 25 -9.070 -7.019 11.978 166 HA3 GLY 25 HA3 GLY 25 -7.949 -5.684 11.728 167 H ILE 26 H ILE 26 -8.158 -4.383 9.876 168 HA ILE 26 HA ILE 26 -10.630 -4.654 8.178 169 HB ILE 26 HB ILE 26 -8.733 -2.337 8.659 170 HG12 ILE 26 HG12 ILE 26 -11.768 -2.605 8.835 171 HG13 ILE 26 HG13 ILE 26 -10.663 -2.675 10.208 172 HG21 ILE 26 HG21 ILE 26 -9.031 -2.455 6.219 173 HG22 ILE 26 HG22 ILE 26 -10.796 -2.575 6.427 174 HG23 ILE 26 HG23 ILE 26 -9.916 -1.095 6.866 175 HD11 ILE 26 HD11 ILE 26 -9.936 -0.331 9.734 176 HD12 ILE 26 HD12 ILE 26 -11.167 -0.241 8.446 177 HD13 ILE 26 HD13 ILE 26 -11.665 -0.486 10.114 178 H GLY 27 H GLY 27 -7.079 -4.398 8.106 179 HA2 GLY 27 HA2 GLY 27 -7.038 -6.099 5.661 180 HA3 GLY 27 HA3 GLY 27 -5.898 -4.779 5.902 181 HA PRO 28 HA PRO 28 -4.233 -8.787 7.927 182 HB2 PRO 28 HB2 PRO 28 -2.581 -8.917 5.409 183 HB3 PRO 28 HB3 PRO 28 -3.257 -10.254 6.391 184 HG2 PRO 28 HG2 PRO 28 -4.420 -9.563 4.056 185 HG3 PRO 28 HG3 PRO 28 -5.458 -9.868 5.491 186 HD2 PRO 28 HD2 PRO 28 -4.407 -7.216 4.457 187 HD3 PRO 28 HD3 PRO 28 -6.097 -7.683 4.814 188 H ASP 29 H ASP 29 -1.496 -9.217 7.519 189 HA ASP 29 HA ASP 29 -0.144 -6.799 8.591 190 HB2 ASP 29 HB2 ASP 29 0.136 -9.146 9.549 191 HB3 ASP 29 HB3 ASP 29 0.911 -9.608 8.039 192 H LEU 30 H LEU 30 1.210 -5.550 7.247 193 HA LEU 30 HA LEU 30 1.182 -6.233 4.359 194 HB2 LEU 30 HB2 LEU 30 2.468 -3.780 5.488 195 HB3 LEU 30 HB3 LEU 30 1.852 -4.067 3.873 196 HG LEU 30 HG LEU 30 0.223 -3.669 6.407 197 HD11 LEU 30 HD11 LEU 30 1.223 -1.633 5.360 198 HD12 LEU 30 HD12 LEU 30 -0.547 -1.632 5.285 199 HD13 LEU 30 HD13 LEU 30 0.405 -2.031 3.834 200 HD21 LEU 30 HD21 LEU 30 -1.787 -3.707 4.911 201 HD22 LEU 30 HD22 LEU 30 -0.996 -5.271 4.955 202 HD23 LEU 30 HD23 LEU 30 -0.762 -4.213 3.553 203 H LEU 31 H LEU 31 3.311 -7.005 6.864 204 HA LEU 31 HA LEU 31 5.868 -6.653 5.625 205 HB2 LEU 31 HB2 LEU 31 5.399 -7.077 7.944 206 HB3 LEU 31 HB3 LEU 31 5.041 -8.762 7.575 207 HG LEU 31 HG LEU 31 7.691 -7.440 6.830 208 HD11 LEU 31 HD11 LEU 31 8.580 -8.279 8.979 209 HD12 LEU 31 HD12 LEU 31 6.932 -8.775 9.444 210 HD13 LEU 31 HD13 LEU 31 7.311 -7.057 9.181 211 HD21 LEU 31 HD21 LEU 31 6.981 -10.339 7.457 212 HD22 LEU 31 HD22 LEU 31 8.607 -9.740 7.112 213 HD23 LEU 31 HD23 LEU 31 7.377 -9.696 5.855 214 H GLY 32 H GLY 32 6.876 -7.670 4.174 215 HA2 GLY 32 HA2 GLY 32 7.502 -9.155 2.489 216 HA3 GLY 32 HA3 GLY 32 6.354 -10.325 3.134 217 H VAL 33 H VAL 33 4.512 -7.527 2.437 218 HA VAL 33 HA VAL 33 3.180 -8.763 0.296 219 HB VAL 33 HB VAL 33 2.294 -6.925 1.715 220 HG11 VAL 33 HG11 VAL 33 3.618 -5.024 -0.266 221 HG12 VAL 33 HG12 VAL 33 2.576 -4.620 1.111 222 HG13 VAL 33 HG13 VAL 33 4.186 -5.290 1.401 223 HG21 VAL 33 HG21 VAL 33 1.102 -7.754 -0.273 224 HG22 VAL 33 HG22 VAL 33 0.812 -6.034 0.003 225 HG23 VAL 33 HG23 VAL 33 1.926 -6.543 -1.284 226 H THR 34 H THR 34 5.919 -6.569 0.141 227 HA THR 34 HA THR 34 6.068 -6.219 -2.694 228 HB THR 34 HB THR 34 7.071 -4.831 -0.837 229 HG1 THR 34 HG1 THR 34 8.541 -4.030 -2.096 230 HG21 THR 34 HG21 THR 34 9.360 -6.840 -0.985 231 HG22 THR 34 HG22 THR 34 8.273 -6.610 0.403 232 HG23 THR 34 HG23 THR 34 9.340 -5.300 -0.111 233 H ARG 35 H ARG 35 6.514 -9.101 -1.027 234 HA ARG 35 HA ARG 35 7.723 -10.258 -3.473 235 HB2 ARG 35 HB2 ARG 35 8.991 -11.885 -2.290 236 HB3 ARG 35 HB3 ARG 35 9.468 -10.269 -1.773 237 HG2 ARG 35 HG2 ARG 35 8.258 -10.519 0.336 238 HG3 ARG 35 HG3 ARG 35 7.572 -12.074 -0.195 239 HD2 ARG 35 HD2 ARG 35 9.891 -12.988 -0.375 240 HD3 ARG 35 HD3 ARG 35 10.522 -11.461 0.271 241 HE ARG 35 HE ARG 35 8.631 -12.284 2.120 242 HH11 ARG 35 HH11 ARG 35 11.601 -13.735 0.780 243 HH12 ARG 35 HH12 ARG 35 11.914 -14.679 2.220 244 HH21 ARG 35 HH21 ARG 35 9.076 -13.533 3.966 245 HH22 ARG 35 HH22 ARG 35 10.489 -14.562 4.018 246 H GLN 36 H GLN 36 4.885 -9.989 -2.070 247 HA GLN 36 HA GLN 36 4.021 -12.773 -2.641 248 HB2 GLN 36 HB2 GLN 36 4.120 -12.204 -0.234 249 HB3 GLN 36 HB3 GLN 36 3.060 -10.808 -0.513 250 HG2 GLN 36 HG2 GLN 36 1.298 -12.252 -1.294 251 HG3 GLN 36 HG3 GLN 36 2.345 -13.674 -1.166 252 HE21 GLN 36 HE21 GLN 36 0.185 -14.236 0.007 253 HE22 GLN 36 HE22 GLN 36 0.097 -13.858 1.726 254 H ARG 37 H ARG 37 3.270 -9.300 -3.094 255 HA ARG 37 HA ARG 37 1.313 -10.055 -5.176 256 HB2 ARG 37 HB2 ARG 37 0.085 -9.746 -3.051 257 HB3 ARG 37 HB3 ARG 37 0.603 -8.052 -2.999 258 HG2 ARG 37 HG2 ARG 37 -0.766 -7.463 -4.822 259 HG3 ARG 37 HG3 ARG 37 -0.727 -9.083 -5.521 260 HD2 ARG 37 HD2 ARG 37 -2.953 -8.548 -4.642 261 HD3 ARG 37 HD3 ARG 37 -2.228 -9.948 -3.846 262 HE ARG 37 HE ARG 37 -2.081 -7.229 -2.634 263 HH11 ARG 37 HH11 ARG 37 -3.171 -10.607 -2.327 264 HH12 ARG 37 HH12 ARG 37 -3.646 -10.406 -0.657 265 HH21 ARG 37 HH21 ARG 37 -2.715 -7.005 -0.495 266 HH22 ARG 37 HH22 ARG 37 -3.392 -8.357 0.383 267 H ASP 38 H ASP 38 3.267 -9.599 -6.287 268 HA ASP 38 HA ASP 38 4.716 -8.465 -7.536 269 HB2 ASP 38 HB2 ASP 38 2.440 -7.698 -8.488 270 HB3 ASP 38 HB3 ASP 38 2.802 -6.153 -7.715 271 H ALA 39 H ALA 39 5.427 -5.796 -7.833 272 HA ALA 39 HA ALA 39 6.234 -4.700 -5.220 273 HB1 ALA 39 HB1 ALA 39 8.297 -5.581 -7.286 274 HB2 ALA 39 HB2 ALA 39 8.621 -4.775 -5.741 275 HB3 ALA 39 HB3 ALA 39 7.961 -6.420 -5.750 276 H ASN 40 H ASN 40 5.731 -4.290 -8.689 277 HA ASN 40 HA ASN 40 6.480 -1.406 -8.540 278 HB2 ASN 40 HB2 ASN 40 6.529 -3.462 -10.780 279 HB3 ASN 40 HB3 ASN 40 6.530 -1.726 -11.095 280 HD21 ASN 40 HD21 ASN 40 8.350 -0.499 -10.669 281 HD22 ASN 40 HD22 ASN 40 9.819 -1.133 -9.949 282 H TRP 41 H TRP 41 3.926 -3.683 -9.655 283 HA TRP 41 HA TRP 41 1.846 -1.816 -10.250 284 HB2 TRP 41 HB2 TRP 41 1.512 -4.177 -10.649 285 HB3 TRP 41 HB3 TRP 41 1.936 -4.579 -9.003 286 HD1 TRP 41 HD1 TRP 41 -1.011 -3.270 -11.044 287 HE1 TRP 41 HE1 TRP 41 -3.156 -3.537 -9.695 288 HE3 TRP 41 HE3 TRP 41 1.026 -4.714 -6.539 289 HZ2 TRP 41 HZ2 TRP 41 -3.861 -3.824 -6.868 290 HZ3 TRP 41 HZ3 TRP 41 -0.403 -4.829 -4.511 291 HH2 TRP 41 HH2 TRP 41 -2.810 -4.360 -4.660 292 H LEU 42 H LEU 42 2.983 -3.159 -7.200 293 HA LEU 42 HA LEU 42 1.238 -2.208 -5.301 294 HB2 LEU 42 HB2 LEU 42 3.140 -3.767 -4.996 295 HB3 LEU 42 HB3 LEU 42 4.283 -2.452 -5.264 296 HG LEU 42 HG LEU 42 3.557 -1.367 -3.159 297 HD11 LEU 42 HD11 LEU 42 1.244 -2.170 -2.977 298 HD12 LEU 42 HD12 LEU 42 2.167 -2.698 -1.562 299 HD13 LEU 42 HD13 LEU 42 1.809 -3.852 -2.864 300 HD21 LEU 42 HD21 LEU 42 5.442 -2.975 -3.197 301 HD22 LEU 42 HD22 LEU 42 4.314 -4.310 -2.876 302 HD23 LEU 42 HD23 LEU 42 4.571 -3.038 -1.659 303 H VAL 43 H VAL 43 3.910 -0.387 -6.804 304 HA VAL 43 HA VAL 43 3.588 1.909 -5.058 305 HB VAL 43 HB VAL 43 5.254 1.929 -7.584 306 HG11 VAL 43 HG11 VAL 43 5.586 3.173 -4.812 307 HG12 VAL 43 HG12 VAL 43 6.752 3.320 -6.147 308 HG13 VAL 43 HG13 VAL 43 5.145 4.028 -6.286 309 HG21 VAL 43 HG21 VAL 43 5.940 0.514 -4.976 310 HG22 VAL 43 HG22 VAL 43 5.926 -0.153 -6.621 311 HG23 VAL 43 HG23 VAL 43 7.155 1.024 -6.174 312 H ARG 44 H ARG 44 2.292 0.999 -8.150 313 HA ARG 44 HA ARG 44 1.256 3.677 -8.805 314 HB2 ARG 44 HB2 ARG 44 1.749 1.900 -10.509 315 HB3 ARG 44 HB3 ARG 44 0.400 0.956 -9.865 316 HG2 ARG 44 HG2 ARG 44 -1.138 2.874 -10.415 317 HG3 ARG 44 HG3 ARG 44 0.247 3.733 -11.122 318 HD2 ARG 44 HD2 ARG 44 0.588 1.799 -12.693 319 HD3 ARG 44 HD3 ARG 44 -0.835 1.019 -12.008 320 HE ARG 44 HE ARG 44 -2.244 2.545 -13.070 321 HH11 ARG 44 HH11 ARG 44 1.152 3.432 -13.718 322 HH12 ARG 44 HH12 ARG 44 0.728 4.479 -15.053 323 HH21 ARG 44 HH21 ARG 44 -2.740 3.897 -14.800 324 HH22 ARG 44 HH22 ARG 44 -1.476 4.743 -15.665 325 H TRP 45 H TRP 45 -0.061 0.589 -7.580 326 HA TRP 45 HA TRP 45 -2.708 1.311 -7.099 327 HB2 TRP 45 HB2 TRP 45 -2.034 -0.971 -6.996 328 HB3 TRP 45 HB3 TRP 45 -0.837 -0.650 -5.752 329 HD1 TRP 45 HD1 TRP 45 -1.496 -1.608 -3.557 330 HE1 TRP 45 HE1 TRP 45 -3.668 -2.223 -2.346 331 HE3 TRP 45 HE3 TRP 45 -4.886 0.471 -6.802 332 HZ2 TRP 45 HZ2 TRP 45 -6.465 -1.529 -2.527 333 HZ3 TRP 45 HZ3 TRP 45 -7.296 0.561 -6.201 334 HH2 TRP 45 HH2 TRP 45 -8.098 -0.440 -4.085 335 H LEU 46 H LEU 46 -0.132 1.400 -4.547 336 HA LEU 46 HA LEU 46 -1.988 2.486 -2.685 337 HB2 LEU 46 HB2 LEU 46 -0.454 2.038 -1.158 338 HB3 LEU 46 HB3 LEU 46 0.378 1.198 -2.469 339 HG LEU 46 HG LEU 46 1.042 4.030 -1.516 340 HD11 LEU 46 HD11 LEU 46 1.618 2.287 0.127 341 HD12 LEU 46 HD12 LEU 46 3.072 2.917 -0.643 342 HD13 LEU 46 HD13 LEU 46 2.418 1.333 -1.136 343 HD21 LEU 46 HD21 LEU 46 1.606 3.553 -3.950 344 HD22 LEU 46 HD22 LEU 46 2.443 2.102 -3.388 345 HD23 LEU 46 HD23 LEU 46 3.041 3.712 -2.933 346 H LYS 47 H LYS 47 -0.474 4.108 -5.177 347 HA LYS 47 HA LYS 47 -0.428 6.782 -3.884 348 HB2 LYS 47 HB2 LYS 47 1.525 5.868 -5.193 349 HB3 LYS 47 HB3 LYS 47 0.500 5.833 -6.629 350 HG2 LYS 47 HG2 LYS 47 0.254 8.279 -6.540 351 HG3 LYS 47 HG3 LYS 47 1.148 8.338 -5.014 352 HD2 LYS 47 HD2 LYS 47 2.530 9.041 -6.900 353 HD3 LYS 47 HD3 LYS 47 3.190 7.569 -6.168 354 HE2 LYS 47 HE2 LYS 47 2.261 6.199 -7.968 355 HE3 LYS 47 HE3 LYS 47 1.391 7.589 -8.631 356 HZ1 LYS 47 HZ1 LYS 47 3.471 8.619 -9.179 357 HZ2 LYS 47 HZ2 LYS 47 3.451 7.123 -9.830 358 HZ3 LYS 47 HZ3 LYS 47 4.347 7.412 -8.471 359 H VAL 48 H VAL 48 -2.398 4.882 -6.060 360 HA VAL 48 HA VAL 48 -4.261 7.163 -6.355 361 HB VAL 48 HB VAL 48 -2.423 7.070 -8.174 362 HG11 VAL 48 HG11 VAL 48 -4.206 5.216 -9.702 363 HG12 VAL 48 HG12 VAL 48 -2.556 5.752 -10.039 364 HG13 VAL 48 HG13 VAL 48 -2.853 4.577 -8.742 365 HG21 VAL 48 HG21 VAL 48 -4.248 8.582 -8.254 366 HG22 VAL 48 HG22 VAL 48 -3.937 7.936 -9.874 367 HG23 VAL 48 HG23 VAL 48 -5.308 7.329 -8.920 368 HA PRO 49 HA PRO 49 -5.994 2.848 -5.728 369 HB2 PRO 49 HB2 PRO 49 -7.010 2.964 -3.189 370 HB3 PRO 49 HB3 PRO 49 -5.276 2.715 -3.541 371 HG2 PRO 49 HG2 PRO 49 -6.680 5.364 -2.977 372 HG3 PRO 49 HG3 PRO 49 -5.257 4.672 -2.118 373 HD2 PRO 49 HD2 PRO 49 -4.859 6.410 -4.123 374 HD3 PRO 49 HD3 PRO 49 -3.873 4.931 -4.011 375 H ASP 50 H ASP 50 -7.522 5.780 -6.259 376 HA ASP 50 HA ASP 50 -10.214 4.432 -6.334 377 HB2 ASP 50 HB2 ASP 50 -10.304 6.531 -5.122 378 HB3 ASP 50 HB3 ASP 50 -9.505 7.377 -6.446 379 H GLN 51 H GLN 51 -7.913 6.384 -8.277 380 HA GLN 51 HA GLN 51 -9.377 6.143 -10.701 381 HB2 GLN 51 HB2 GLN 51 -7.451 7.723 -9.920 382 HB3 GLN 51 HB3 GLN 51 -6.379 6.476 -10.592 383 HG2 GLN 51 HG2 GLN 51 -7.311 6.803 -12.806 384 HG3 GLN 51 HG3 GLN 51 -8.598 7.844 -12.165 385 HE21 GLN 51 HE21 GLN 51 -5.150 7.706 -12.991 386 HE22 GLN 51 HE22 GLN 51 -4.860 9.427 -12.682 387 H MET 52 H MET 52 -6.909 3.956 -9.295 388 HA MET 52 HA MET 52 -6.514 2.239 -11.521 389 HB2 MET 52 HB2 MET 52 -6.614 1.808 -8.500 390 HB3 MET 52 HB3 MET 52 -6.171 0.502 -9.610 391 HG2 MET 52 HG2 MET 52 -4.777 3.184 -9.647 392 HG3 MET 52 HG3 MET 52 -4.280 1.916 -8.544 393 HE1 MET 52 HE1 MET 52 -2.623 -0.744 -10.650 394 HE2 MET 52 HE2 MET 52 -2.664 0.091 -9.085 395 HE3 MET 52 HE3 MET 52 -4.130 -0.703 -9.700 396 H LEU 53 H LEU 53 -9.233 2.348 -9.203 397 HA LEU 53 HA LEU 53 -10.472 -0.083 -10.252 398 HB2 LEU 53 HB2 LEU 53 -11.513 2.052 -8.352 399 HB3 LEU 53 HB3 LEU 53 -12.326 0.531 -8.700 400 HG LEU 53 HG LEU 53 -9.558 0.733 -7.443 401 HD11 LEU 53 HD11 LEU 53 -10.678 0.158 -5.328 402 HD12 LEU 53 HD12 LEU 53 -12.259 0.236 -6.138 403 HD13 LEU 53 HD13 LEU 53 -11.265 1.700 -5.967 404 HD21 LEU 53 HD21 LEU 53 -11.463 -1.614 -7.729 405 HD22 LEU 53 HD22 LEU 53 -9.961 -1.621 -6.780 406 HD23 LEU 53 HD23 LEU 53 -9.892 -1.426 -8.537 407 H ALA 54 H ALA 54 -10.549 3.293 -11.068 408 HA ALA 54 HA ALA 54 -12.908 3.054 -12.804 409 HB1 ALA 54 HB1 ALA 54 -10.751 5.198 -12.672 410 HB2 ALA 54 HB2 ALA 54 -12.279 5.275 -13.564 411 HB3 ALA 54 HB3 ALA 54 -12.296 5.219 -11.792 412 H GLU 55 H GLU 55 -9.311 3.145 -13.271 413 HA GLU 55 HA GLU 55 -9.486 3.063 -16.046 414 HB2 GLU 55 HB2 GLU 55 -7.206 3.010 -16.139 415 HB3 GLU 55 HB3 GLU 55 -7.542 3.783 -14.608 416 HG2 GLU 55 HG2 GLU 55 -6.950 1.604 -13.490 417 HG3 GLU 55 HG3 GLU 55 -6.601 0.917 -15.070 418 H LYS 56 H LYS 56 -8.851 0.269 -13.964 419 HA LYS 56 HA LYS 56 -10.577 -1.524 -14.968 420 HB2 LYS 56 HB2 LYS 56 -9.398 -3.099 -16.458 421 HB3 LYS 56 HB3 LYS 56 -9.661 -1.571 -17.229 422 HG2 LYS 56 HG2 LYS 56 -7.232 -0.968 -16.709 423 HG3 LYS 56 HG3 LYS 56 -7.021 -2.612 -16.084 424 HD2 LYS 56 HD2 LYS 56 -7.671 -3.571 -18.243 425 HD3 LYS 56 HD3 LYS 56 -8.003 -1.972 -18.906 426 HE2 LYS 56 HE2 LYS 56 -5.264 -2.982 -18.009 427 HE3 LYS 56 HE3 LYS 56 -5.870 -2.926 -19.667 428 HZ1 LYS 56 HZ1 LYS 56 -6.188 -0.426 -19.197 429 HZ2 LYS 56 HZ2 LYS 56 -4.674 -0.988 -19.505 430 HZ3 LYS 56 HZ3 LYS 56 -5.143 -0.658 -17.950 431 H ASP 57 H ASP 57 -7.547 -0.996 -13.548 432 HA ASP 57 HA ASP 57 -6.142 -3.158 -13.623 433 HB2 ASP 57 HB2 ASP 57 -5.594 -0.959 -12.482 434 HB3 ASP 57 HB3 ASP 57 -6.179 -1.691 -10.980 435 HA PRO 58 HA PRO 58 -9.242 -5.704 -12.119 436 HB2 PRO 58 HB2 PRO 58 -8.621 -8.048 -13.323 437 HB3 PRO 58 HB3 PRO 58 -8.967 -6.505 -14.206 438 HG2 PRO 58 HG2 PRO 58 -6.170 -7.457 -13.470 439 HG3 PRO 58 HG3 PRO 58 -6.829 -7.229 -15.134 440 HD2 PRO 58 HD2 PRO 58 -5.569 -5.257 -13.861 441 HD3 PRO 58 HD3 PRO 58 -7.105 -4.896 -14.713 442 H LEU 59 H LEU 59 -5.956 -6.460 -11.329 443 HA LEU 59 HA LEU 59 -6.328 -8.339 -9.162 444 HB2 LEU 59 HB2 LEU 59 -4.154 -7.906 -10.224 445 HB3 LEU 59 HB3 LEU 59 -4.212 -6.215 -9.715 446 HG LEU 59 HG LEU 59 -4.000 -6.865 -7.356 447 HD11 LEU 59 HD11 LEU 59 -3.437 -9.220 -6.769 448 HD12 LEU 59 HD12 LEU 59 -3.818 -9.712 -8.425 449 HD13 LEU 59 HD13 LEU 59 -5.095 -9.075 -7.361 450 HD21 LEU 59 HD21 LEU 59 -1.699 -7.652 -7.441 451 HD22 LEU 59 HD22 LEU 59 -1.977 -6.519 -8.765 452 HD23 LEU 59 HD23 LEU 59 -1.924 -8.264 -9.099 453 H ALA 60 H ALA 60 -6.427 -4.724 -9.319 454 HA ALA 60 HA ALA 60 -6.967 -4.500 -6.462 455 HB1 ALA 60 HB1 ALA 60 -5.845 -2.705 -7.672 456 HB2 ALA 60 HB2 ALA 60 -7.309 -2.457 -8.667 457 HB3 ALA 60 HB3 ALA 60 -7.365 -2.186 -6.911 458 H MET 61 H MET 61 -8.973 -4.403 -9.453 459 HA MET 61 HA MET 61 -11.501 -3.952 -8.307 460 HB2 MET 61 HB2 MET 61 -10.820 -5.855 -10.581 461 HB3 MET 61 HB3 MET 61 -12.414 -5.200 -10.236 462 HG2 MET 61 HG2 MET 61 -9.980 -3.542 -10.992 463 HG3 MET 61 HG3 MET 61 -11.242 -4.043 -12.096 464 HE1 MET 61 HE1 MET 61 -13.305 -3.013 -12.471 465 HE2 MET 61 HE2 MET 61 -13.932 -3.589 -10.911 466 HE3 MET 61 HE3 MET 61 -14.192 -1.888 -11.391 467 H LEU 62 H LEU 62 -9.650 -6.990 -8.407 468 HA LEU 62 HA LEU 62 -11.624 -8.627 -7.097 469 HB2 LEU 62 HB2 LEU 62 -9.808 -9.413 -8.631 470 HB3 LEU 62 HB3 LEU 62 -8.624 -8.832 -7.454 471 HG LEU 62 HG LEU 62 -9.516 -10.432 -5.788 472 HD11 LEU 62 HD11 LEU 62 -11.798 -10.805 -6.624 473 HD12 LEU 62 HD12 LEU 62 -10.926 -12.341 -6.592 474 HD13 LEU 62 HD13 LEU 62 -11.165 -11.479 -8.138 475 HD21 LEU 62 HD21 LEU 62 -8.532 -12.452 -6.854 476 HD22 LEU 62 HD22 LEU 62 -7.567 -10.994 -7.125 477 HD23 LEU 62 HD23 LEU 62 -8.587 -11.611 -8.433 478 H LEU 63 H LEU 63 -8.515 -7.021 -5.972 479 HA LEU 63 HA LEU 63 -8.821 -8.267 -3.385 480 HB2 LEU 63 HB2 LEU 63 -6.770 -7.535 -2.885 481 HB3 LEU 63 HB3 LEU 63 -6.702 -7.586 -4.622 482 HG LEU 63 HG LEU 63 -7.366 -4.991 -4.404 483 HD11 LEU 63 HD11 LEU 63 -5.989 -5.607 -1.752 484 HD12 LEU 63 HD12 LEU 63 -7.650 -5.013 -1.939 485 HD13 LEU 63 HD13 LEU 63 -6.286 -3.988 -2.406 486 HD21 LEU 63 HD21 LEU 63 -4.584 -6.014 -3.722 487 HD22 LEU 63 HD22 LEU 63 -5.010 -4.422 -4.393 488 HD23 LEU 63 HD23 LEU 63 -5.259 -5.889 -5.361 489 H PHE 64 H PHE 64 -9.768 -5.111 -4.620 490 HA PHE 64 HA PHE 64 -10.215 -4.028 -1.961 491 HB2 PHE 64 HB2 PHE 64 -10.536 -2.092 -2.944 492 HB3 PHE 64 HB3 PHE 64 -9.992 -2.849 -4.409 493 HD1 PHE 64 HD2 PHE 64 -11.891 -3.884 -5.965 494 HD2 PHE 64 HD1 PHE 64 -12.629 -1.056 -2.810 495 HE1 PHE 64 HE2 PHE 64 -14.035 -3.239 -7.039 496 HE2 PHE 64 HE1 PHE 64 -14.729 -0.363 -3.898 497 HZ PHE 64 HZ PHE 64 -15.453 -1.466 -6.021 498 H GLU 65 H GLU 65 -12.331 -5.731 -4.266 499 HA GLU 65 HA GLU 65 -14.770 -5.565 -2.756 500 HB2 GLU 65 HB2 GLU 65 -14.723 -5.924 -5.146 501 HB3 GLU 65 HB3 GLU 65 -13.573 -7.242 -4.984 502 HG2 GLU 65 HG2 GLU 65 -15.489 -8.313 -5.492 503 HG3 GLU 65 HG3 GLU 65 -15.365 -8.544 -3.760 504 H GLN 66 H GLN 66 -12.154 -8.048 -3.064 505 HA GLN 66 HA GLN 66 -13.501 -9.846 -1.268 506 HB2 GLN 66 HB2 GLN 66 -10.723 -9.856 -2.484 507 HB3 GLN 66 HB3 GLN 66 -11.371 -11.198 -1.540 508 HG2 GLN 66 HG2 GLN 66 -12.755 -10.147 -4.056 509 HG3 GLN 66 HG3 GLN 66 -11.523 -11.395 -4.072 510 HE21 GLN 66 HE21 GLN 66 -12.139 -13.512 -3.681 511 HE22 GLN 66 HE22 GLN 66 -13.753 -13.952 -3.100 512 H TYR 67 H TYR 67 -11.171 -7.308 -0.591 513 HA TYR 67 HA TYR 67 -11.214 -8.113 2.273 514 HB2 TYR 67 HB2 TYR 67 -9.768 -5.828 0.930 515 HB3 TYR 67 HB3 TYR 67 -9.717 -6.205 2.644 516 HD1 TYR 67 HD1 TYR 67 -9.016 -8.768 3.220 517 HD2 TYR 67 HD2 TYR 67 -7.939 -6.581 -0.327 518 HE1 TYR 67 HE1 TYR 67 -7.016 -10.218 2.928 519 HE2 TYR 67 HE2 TYR 67 -5.958 -8.046 -0.638 520 HH TYR 67 HH TYR 67 -5.170 -10.716 1.606 521 H ASN 68 H ASN 68 -13.675 -7.594 1.029 522 HA ASN 68 HA ASN 68 -15.655 -6.881 1.597 523 HB2 ASN 68 HB2 ASN 68 -14.676 -7.413 3.859 524 HB3 ASN 68 HB3 ASN 68 -14.497 -5.674 4.103 525 HD21 ASN 68 HD21 ASN 68 -15.882 -6.305 5.969 526 HD22 ASN 68 HD22 ASN 68 -17.637 -6.268 5.698 527 H ARG 69 H ARG 69 -14.291 -5.166 -0.147 528 HA ARG 69 HA ARG 69 -14.560 -3.261 -1.296 529 HB2 ARG 69 HB2 ARG 69 -16.689 -4.718 -1.409 530 HB3 ARG 69 HB3 ARG 69 -17.476 -3.348 -0.616 531 HG2 ARG 69 HG2 ARG 69 -16.802 -1.875 -2.496 532 HG3 ARG 69 HG3 ARG 69 -15.798 -3.166 -3.169 533 HD2 ARG 69 HD2 ARG 69 -17.836 -2.958 -4.447 534 HD3 ARG 69 HD3 ARG 69 -17.778 -4.517 -3.632 535 HE ARG 69 HE ARG 69 -19.279 -2.250 -2.404 536 HH11 ARG 69 HH11 ARG 69 -19.408 -5.477 -3.915 537 HH12 ARG 69 HH12 ARG 69 -21.090 -5.715 -3.497 538 HH21 ARG 69 HH21 ARG 69 -21.434 -2.589 -1.899 539 HH22 ARG 69 HH22 ARG 69 -22.241 -4.072 -2.352 540 H LEU 70 H LEU 70 -13.883 -2.595 1.470 541 HA LEU 70 HA LEU 70 -15.001 0.003 2.041 542 HB2 LEU 70 HB2 LEU 70 -13.840 -1.487 3.673 543 HB3 LEU 70 HB3 LEU 70 -12.330 -1.270 2.792 544 HG LEU 70 HG LEU 70 -12.273 1.117 3.399 545 HD11 LEU 70 HD11 LEU 70 -14.656 1.677 3.535 546 HD12 LEU 70 HD12 LEU 70 -13.882 2.003 5.088 547 HD13 LEU 70 HD13 LEU 70 -14.873 0.541 4.885 548 HD21 LEU 70 HD21 LEU 70 -12.799 -0.744 5.747 549 HD22 LEU 70 HD22 LEU 70 -11.945 0.806 5.829 550 HD23 LEU 70 HD23 LEU 70 -11.257 -0.526 4.881 551 H ALA 71 H ALA 71 -12.610 -1.096 -0.197 552 HA ALA 71 HA ALA 71 -10.980 -0.191 -1.461 553 HB1 ALA 71 HB1 ALA 71 -12.357 2.506 -1.280 554 HB2 ALA 71 HB2 ALA 71 -11.296 1.879 -2.559 555 HB3 ALA 71 HB3 ALA 71 -12.913 1.204 -2.344 556 H MET 72 H MET 72 -9.704 2.389 -1.272 557 HA MET 72 HA MET 72 -9.424 3.112 1.460 558 HB2 MET 72 HB2 MET 72 -7.041 2.952 1.759 559 HB3 MET 72 HB3 MET 72 -7.707 1.358 1.452 560 HG2 MET 72 HG2 MET 72 -6.859 1.444 -0.867 561 HG3 MET 72 HG3 MET 72 -6.213 3.066 -0.562 562 HE1 MET 72 HE1 MET 72 -2.922 0.991 -0.694 563 HE2 MET 72 HE2 MET 72 -4.377 0.860 -1.709 564 HE3 MET 72 HE3 MET 72 -3.769 2.461 -1.230 565 HA PRO 73 HA PRO 73 -9.138 6.914 -0.616 566 HB2 PRO 73 HB2 PRO 73 -8.229 8.680 1.252 567 HB3 PRO 73 HB3 PRO 73 -9.797 7.834 1.397 568 HG2 PRO 73 HG2 PRO 73 -7.147 7.068 2.658 569 HG3 PRO 73 HG3 PRO 73 -8.754 7.188 3.447 570 HD2 PRO 73 HD2 PRO 73 -7.734 4.820 2.584 571 HD3 PRO 73 HD3 PRO 73 -9.484 5.176 2.476 572 H ASN 74 H ASN 74 -7.941 8.070 -1.979 573 HA ASN 74 HA ASN 74 -4.998 8.485 -1.673 574 HB2 ASN 74 HB2 ASN 74 -6.072 8.155 -3.943 575 HB3 ASN 74 HB3 ASN 74 -7.107 9.522 -3.630 576 HD21 ASN 74 HD21 ASN 74 -6.222 10.165 -5.678 577 HD22 ASN 74 HD22 ASN 74 -4.654 10.949 -5.775 578 H MET 75 H MET 75 -4.181 10.260 -0.889 579 HA MET 75 HA MET 75 -5.954 12.402 0.208 580 HB2 MET 75 HB2 MET 75 -3.560 11.156 1.615 581 HB3 MET 75 HB3 MET 75 -4.430 12.599 2.147 582 HG2 MET 75 HG2 MET 75 -5.597 9.796 1.923 583 HG3 MET 75 HG3 MET 75 -5.056 10.597 3.395 584 HE1 MET 75 HE1 MET 75 -7.655 9.364 3.724 585 HE2 MET 75 HE2 MET 75 -7.085 10.569 4.892 586 HE3 MET 75 HE3 MET 75 -8.748 10.656 4.270 587 H ARG 76 H ARG 76 -2.496 12.367 0.523 588 HA ARG 76 HA ARG 76 -2.020 14.282 -1.635 589 HB2 ARG 76 HB2 ARG 76 -3.259 15.382 0.420 590 HB3 ARG 76 HB3 ARG 76 -1.720 15.250 1.234 591 HG2 ARG 76 HG2 ARG 76 -1.945 17.475 0.347 592 HG3 ARG 76 HG3 ARG 76 -0.693 16.673 -0.591 593 HD2 ARG 76 HD2 ARG 76 -2.095 17.960 -2.072 594 HD3 ARG 76 HD3 ARG 76 -2.345 16.247 -2.411 595 HE ARG 76 HE ARG 76 -4.204 17.627 -0.547 596 HH11 ARG 76 HH11 ARG 76 -3.744 16.211 -3.794 597 HH12 ARG 76 HH12 ARG 76 -5.458 16.189 -4.133 598 HH21 ARG 76 HH21 ARG 76 -6.406 17.578 -1.037 599 HH22 ARG 76 HH22 ARG 76 -6.961 16.958 -2.577 600 H LEU 77 H LEU 77 -0.680 11.819 -1.130 601 HA LEU 77 HA LEU 77 1.592 12.162 0.659 602 HB2 LEU 77 HB2 LEU 77 0.903 10.052 -1.424 603 HB3 LEU 77 HB3 LEU 77 2.373 10.006 -0.478 604 HG LEU 77 HG LEU 77 0.685 8.472 0.347 605 HD11 LEU 77 HD11 LEU 77 0.844 8.991 2.719 606 HD12 LEU 77 HD12 LEU 77 1.276 10.676 2.358 607 HD13 LEU 77 HD13 LEU 77 2.370 9.351 1.899 608 HD21 LEU 77 HD21 LEU 77 -0.961 10.852 1.264 609 HD22 LEU 77 HD22 LEU 77 -1.313 9.135 1.489 610 HD23 LEU 77 HD23 LEU 77 -1.359 9.814 -0.143 611 H GLY 78 H GLY 78 3.590 13.020 0.294 612 HA2 GLY 78 HA2 GLY 78 4.441 14.035 -2.297 613 HA3 GLY 78 HA3 GLY 78 5.411 13.912 -0.835 614 H ASP 79 H ASP 79 6.386 13.312 -3.473 615 HA ASP 79 HA ASP 79 6.370 10.464 -4.039 616 HB2 ASP 79 HB2 ASP 79 6.833 12.168 -5.732 617 HB3 ASP 79 HB3 ASP 79 8.244 12.718 -4.829 618 H ALA 80 H ALA 80 8.432 12.553 -2.046 619 HA ALA 80 HA ALA 80 10.341 10.509 -1.297 620 HB1 ALA 80 HB1 ALA 80 10.973 12.128 0.436 621 HB2 ALA 80 HB2 ALA 80 10.793 12.931 -1.133 622 HB3 ALA 80 HB3 ALA 80 9.518 13.089 0.099 623 H GLU 81 H GLU 81 7.090 11.365 -0.071 624 HA GLU 81 HA GLU 81 7.327 9.714 2.345 625 HB2 GLU 81 HB2 GLU 81 4.882 10.879 0.948 626 HB3 GLU 81 HB3 GLU 81 4.843 9.956 2.446 627 HG2 GLU 81 HG2 GLU 81 6.209 11.624 3.588 628 HG3 GLU 81 HG3 GLU 81 6.393 12.551 2.093 629 H VAL 82 H VAL 82 5.845 9.317 -0.909 630 HA VAL 82 HA VAL 82 5.045 6.592 -0.601 631 HB VAL 82 HB VAL 82 5.918 8.106 -3.098 632 HG11 VAL 82 HG11 VAL 82 6.064 5.689 -3.560 633 HG12 VAL 82 HG12 VAL 82 4.459 5.443 -2.847 634 HG13 VAL 82 HG13 VAL 82 4.645 6.366 -4.354 635 HG21 VAL 82 HG21 VAL 82 3.148 7.440 -1.991 636 HG22 VAL 82 HG22 VAL 82 3.903 9.047 -2.002 637 HG23 VAL 82 HG23 VAL 82 3.487 8.270 -3.527 638 H SER 83 H SER 83 8.187 7.930 -1.740 639 HA SER 83 HA SER 83 9.382 5.392 -2.302 640 HB2 SER 83 HB2 SER 83 10.794 7.947 -1.443 641 HB3 SER 83 HB3 SER 83 11.512 6.564 -2.286 642 HG SER 83 HG SER 83 9.532 8.387 -3.234 643 H ALA 84 H ALA 84 9.391 7.309 0.752 644 HA ALA 84 HA ALA 84 11.023 5.428 2.197 645 HB1 ALA 84 HB1 ALA 84 10.773 7.769 2.844 646 HB2 ALA 84 HB2 ALA 84 9.037 7.528 3.160 647 HB3 ALA 84 HB3 ALA 84 10.263 6.705 4.158 648 H LEU 85 H LEU 85 7.436 5.776 1.893 649 HA LEU 85 HA LEU 85 6.754 3.613 3.646 650 HB2 LEU 85 HB2 LEU 85 5.362 4.948 1.291 651 HB3 LEU 85 HB3 LEU 85 4.587 3.680 2.227 652 HG LEU 85 HG LEU 85 5.634 6.222 3.551 653 HD11 LEU 85 HD11 LEU 85 2.841 5.635 2.475 654 HD12 LEU 85 HD12 LEU 85 3.972 6.852 1.846 655 HD13 LEU 85 HD13 LEU 85 3.295 7.032 3.471 656 HD21 LEU 85 HD21 LEU 85 3.563 4.148 4.379 657 HD22 LEU 85 HD22 LEU 85 3.995 5.602 5.292 658 HD23 LEU 85 HD23 LEU 85 5.196 4.330 5.070 659 H ILE 86 H ILE 86 7.644 3.593 0.233 660 HA ILE 86 HA ILE 86 7.079 0.757 -0.242 661 HB ILE 86 HB ILE 86 8.216 3.053 -1.745 662 HG12 ILE 86 HG12 ILE 86 7.027 1.976 -3.583 663 HG13 ILE 86 HG13 ILE 86 6.726 0.536 -2.608 664 HG21 ILE 86 HG21 ILE 86 10.206 1.644 -1.935 665 HG22 ILE 86 HG22 ILE 86 9.193 0.267 -2.442 666 HG23 ILE 86 HG23 ILE 86 9.331 1.713 -3.460 667 HD11 ILE 86 HD11 ILE 86 4.732 1.924 -2.782 668 HD12 ILE 86 HD12 ILE 86 5.266 1.870 -1.098 669 HD13 ILE 86 HD13 ILE 86 5.592 3.315 -2.090 670 H SER 87 H SER 87 9.891 2.673 0.744 671 HA SER 87 HA SER 87 11.713 0.450 0.882 672 HB2 SER 87 HB2 SER 87 11.852 3.121 2.331 673 HB3 SER 87 HB3 SER 87 13.169 1.957 2.117 674 HG SER 87 HG SER 87 11.804 3.478 0.135 675 H TYR 88 H TYR 88 9.363 1.790 3.301 676 HA TYR 88 HA TYR 88 10.272 0.225 5.466 677 HB2 TYR 88 HB2 TYR 88 8.406 1.960 5.507 678 HB3 TYR 88 HB3 TYR 88 7.348 0.763 4.813 679 HD1 TYR 88 HD2 TYR 88 9.787 -0.388 7.399 680 HD2 TYR 88 HD1 TYR 88 5.818 1.167 6.715 681 HE1 TYR 88 HE2 TYR 88 9.109 -1.148 9.637 682 HE2 TYR 88 HE1 TYR 88 5.151 0.423 8.996 683 HH TYR 88 HH TYR 88 5.794 -0.684 10.919 684 H LEU 89 H LEU 89 8.027 -0.725 2.877 685 HA LEU 89 HA LEU 89 7.370 -3.305 3.917 686 HB2 LEU 89 HB2 LEU 89 7.277 -2.240 1.064 687 HB3 LEU 89 HB3 LEU 89 6.465 -3.698 1.622 688 HG LEU 89 HG LEU 89 5.858 -0.898 2.664 689 HD11 LEU 89 HD11 LEU 89 5.252 -1.172 0.285 690 HD12 LEU 89 HD12 LEU 89 3.834 -1.009 1.331 691 HD13 LEU 89 HD13 LEU 89 4.294 -2.612 0.706 692 HD21 LEU 89 HD21 LEU 89 3.810 -1.938 3.576 693 HD22 LEU 89 HD22 LEU 89 5.271 -2.603 4.307 694 HD23 LEU 89 HD23 LEU 89 4.403 -3.539 3.074 695 H GLU 90 H GLU 90 10.204 -2.290 2.178 696 HA GLU 90 HA GLU 90 11.027 -5.123 1.729 697 HB2 GLU 90 HB2 GLU 90 11.276 -3.594 -0.170 698 HB3 GLU 90 HB3 GLU 90 12.335 -2.545 0.786 699 HG2 GLU 90 HG2 GLU 90 14.003 -4.329 0.970 700 HG3 GLU 90 HG3 GLU 90 12.892 -5.495 0.242 701 H GLU 91 H GLU 91 12.268 -2.121 3.363 702 HA GLU 91 HA GLU 91 14.609 -3.428 4.316 703 HB2 GLU 91 HB2 GLU 91 13.292 -0.842 5.216 704 HB3 GLU 91 HB3 GLU 91 14.853 -1.434 5.794 705 HG2 GLU 91 HG2 GLU 91 15.701 -1.502 3.449 706 HG3 GLU 91 HG3 GLU 91 14.187 -0.813 2.881 707 H GLU 92 H GLU 92 11.394 -3.178 5.874 708 HA GLU 92 HA GLU 92 12.109 -4.161 8.449 709 HB2 GLU 92 HB2 GLU 92 9.894 -3.291 7.783 710 HB3 GLU 92 HB3 GLU 92 9.668 -4.669 6.707 711 HG2 GLU 92 HG2 GLU 92 8.366 -5.039 8.648 712 HG3 GLU 92 HG3 GLU 92 9.686 -6.194 8.679 713 H THR 93 H THR 93 12.006 -5.806 5.376 714 HA THR 93 HA THR 93 12.168 -8.528 6.577 715 HB THR 93 HB THR 93 11.518 -9.390 4.510 716 HG1 THR 93 HG1 THR 93 12.148 -6.846 3.397 717 HG21 THR 93 HG21 THR 93 10.075 -6.718 4.541 718 HG22 THR 93 HG22 THR 93 9.726 -8.033 5.691 719 HG23 THR 93 HG23 THR 93 9.462 -8.280 3.951 720 H ALA 94 H ALA 94 13.962 -6.323 4.547 721 HA ALA 94 HA ALA 94 16.225 -8.102 4.115 722 HB1 ALA 94 HB1 ALA 94 15.480 -6.366 2.507 723 HB2 ALA 94 HB2 ALA 94 15.997 -5.107 3.651 724 HB3 ALA 94 HB3 ALA 94 17.188 -6.222 2.945 725 H ARG 95 H ARG 95 15.515 -5.581 6.542 726 HA ARG 95 HA ARG 95 18.145 -5.940 7.837 727 HB2 ARG 95 HB2 ARG 95 15.649 -4.557 8.847 728 HB3 ARG 95 HB3 ARG 95 17.217 -4.569 9.641 729 HG2 ARG 95 HG2 ARG 95 16.555 -3.241 6.977 730 HG3 ARG 95 HG3 ARG 95 16.827 -2.462 8.522 731 HD2 ARG 95 HD2 ARG 95 18.826 -2.111 7.382 732 HD3 ARG 95 HD3 ARG 95 19.200 -3.452 8.465 733 HE ARG 95 HE ARG 95 19.562 -4.807 6.641 734 HH11 ARG 95 HH11 ARG 95 17.781 -1.944 5.462 735 HH12 ARG 95 HH12 ARG 95 17.982 -2.390 3.783 736 HH21 ARG 95 HH21 ARG 95 19.796 -5.333 4.461 737 HH22 ARG 95 HH22 ARG 95 19.121 -4.305 3.219 738 H LEU 96 H LEU 96 14.770 -6.821 8.597 739 HA LEU 96 HA LEU 96 13.775 -8.344 9.874 740 HB2 LEU 96 HB2 LEU 96 15.398 -9.806 8.388 741 HB3 LEU 96 HB3 LEU 96 16.169 -10.164 9.885 742 HG LEU 96 HG LEU 96 14.779 -11.944 9.356 743 HD11 LEU 96 HD11 LEU 96 13.248 -12.083 11.177 744 HD12 LEU 96 HD12 LEU 96 13.132 -10.310 11.283 745 HD13 LEU 96 HD13 LEU 96 14.663 -11.127 11.698 746 HD21 LEU 96 HD21 LEU 96 12.406 -11.706 8.795 747 HD22 LEU 96 HD22 LEU 96 13.459 -10.808 7.678 748 HD23 LEU 96 HD23 LEU 96 12.547 -9.934 8.931 749 H GLN 97 H GLN 97 17.116 -7.905 11.082 750 HA GLN 97 HA GLN 97 16.264 -7.962 13.895 751 HB2 GLN 97 HB2 GLN 97 18.908 -6.967 12.783 752 HB3 GLN 97 HB3 GLN 97 18.544 -7.548 14.405 753 HG2 GLN 97 HG2 GLN 97 18.831 -9.158 11.839 754 HG3 GLN 97 HG3 GLN 97 19.837 -9.216 13.282 755 HE21 GLN 97 HE21 GLN 97 18.454 -9.869 15.408 756 HE22 GLN 97 HE22 GLN 97 17.475 -11.284 15.110 757 H THR 98 H THR 98 14.556 -6.418 13.774 758 HA THR 98 HA THR 98 15.272 -3.566 13.204 759 HB THR 98 HB THR 98 12.906 -3.313 12.612 760 HG1 THR 98 HG1 THR 98 11.789 -5.257 12.054 761 HG21 THR 98 HG21 THR 98 14.633 -3.634 10.893 762 HG22 THR 98 HG22 THR 98 13.083 -4.353 10.422 763 HG23 THR 98 HG23 THR 98 14.400 -5.398 10.985 764 HA PRO 99 HA PRO 99 14.135 -2.955 17.576 765 HB2 PRO 99 HB2 PRO 99 15.639 -0.416 16.956 766 HB3 PRO 99 HB3 PRO 99 15.712 -1.445 18.416 767 HG2 PRO 99 HG2 PRO 99 17.681 -1.567 16.578 768 HG3 PRO 99 HG3 PRO 99 17.023 -3.091 17.266 769 HD2 PRO 99 HD2 PRO 99 16.278 -1.741 14.642 770 HD3 PRO 99 HD3 PRO 99 16.736 -3.445 14.945 771 H VAL 100 H VAL 100 12.312 -2.469 15.361 772 HA VAL 100 HA VAL 100 11.517 0.382 15.519 773 HB VAL 100 HB VAL 100 12.430 -0.738 13.397 774 HG11 VAL 100 HG11 VAL 100 10.939 -2.783 13.538 775 HG12 VAL 100 HG12 VAL 100 9.571 -1.745 13.105 776 HG13 VAL 100 HG13 VAL 100 10.922 -1.937 11.978 777 HG21 VAL 100 HG21 VAL 100 9.743 0.688 13.136 778 HG22 VAL 100 HG22 VAL 100 11.289 1.497 13.454 779 HG23 VAL 100 HG23 VAL 100 11.048 0.607 11.943 780 H THR 101 H THR 101 9.372 1.030 15.481 781 HA THR 101 HA THR 101 7.226 -0.957 15.544 782 HB THR 101 HB THR 101 7.604 -0.572 17.928 783 HG1 THR 101 HG1 THR 101 5.595 -0.879 17.805 784 HG21 THR 101 HG21 THR 101 8.509 1.745 17.906 785 HG22 THR 101 HG22 THR 101 7.117 1.573 18.984 786 HG23 THR 101 HG23 THR 101 6.915 2.357 17.405 787 H ASN 102 H ASN 102 5.200 -0.048 14.882 788 HA ASN 102 HA ASN 102 5.261 2.830 14.191 789 HB2 ASN 102 HB2 ASN 102 4.039 2.603 12.153 790 HB3 ASN 102 HB3 ASN 102 5.516 1.658 12.060 791 HD21 ASN 102 HD21 ASN 102 1.998 1.361 12.748 792 HD22 ASN 102 HD22 ASN 102 1.919 -0.313 12.174 793 H ARG 103 H ARG 103 4.290 1.127 16.488 794 HA ARG 103 HA ARG 103 1.403 1.649 16.614 795 HB2 ARG 103 HB2 ARG 103 3.469 0.726 18.641 796 HB3 ARG 103 HB3 ARG 103 1.791 1.001 19.063 797 HG2 ARG 103 HG2 ARG 103 2.515 -0.862 16.782 798 HG3 ARG 103 HG3 ARG 103 2.568 -1.415 18.458 799 HD2 ARG 103 HD2 ARG 103 0.091 -0.187 17.179 800 HD3 ARG 103 HD3 ARG 103 0.430 -1.926 17.231 801 HE ARG 103 HE ARG 103 0.678 -0.899 19.858 802 HH11 ARG 103 HH11 ARG 103 -1.897 -1.530 17.473 803 HH12 ARG 103 HH12 ARG 103 -3.112 -1.793 18.705 804 HH21 ARG 103 HH21 ARG 103 -0.922 -1.249 21.414 805 HH22 ARG 103 HH22 ARG 103 -2.560 -1.634 20.935 806 H GLY 104 H GLY 104 0.391 3.179 17.715 807 HA2 GLY 104 HA2 GLY 104 -0.129 4.884 19.078 808 HA3 GLY 104 HA3 GLY 104 1.479 4.796 19.794 809 H ILE 105 H ILE 105 -0.553 6.917 18.694 810 HA ILE 105 HA ILE 105 0.992 8.502 16.827 811 HB ILE 105 HB ILE 105 -1.354 9.270 18.594 812 HG12 ILE 105 HG12 ILE 105 -2.097 7.475 17.205 813 HG13 ILE 105 HG13 ILE 105 -2.758 8.967 16.576 814 HG21 ILE 105 HG21 ILE 105 -0.325 10.681 16.101 815 HG22 ILE 105 HG22 ILE 105 -1.766 11.102 17.038 816 HG23 ILE 105 HG23 ILE 105 -0.172 11.258 17.775 817 HD11 ILE 105 HD11 ILE 105 -0.401 7.420 15.395 818 HD12 ILE 105 HD12 ILE 105 -2.045 7.509 14.760 819 HD13 ILE 105 HD13 ILE 105 -1.034 8.959 14.755 820 HA PRO 106 HA PRO 106 3.896 9.961 19.785 821 HB2 PRO 106 HB2 PRO 106 4.992 12.146 18.512 822 HB3 PRO 106 HB3 PRO 106 5.271 10.452 18.022 823 HG2 PRO 106 HG2 PRO 106 3.250 12.398 16.894 824 HG3 PRO 106 HG3 PRO 106 4.417 11.363 16.001 825 HD2 PRO 106 HD2 PRO 106 1.864 10.591 16.321 826 HD3 PRO 106 HD3 PRO 106 3.182 9.399 16.497 827 HHA HEC 107 HHA HEC 107 -3.809 -3.401 1.042 828 HHB HEC 107 HHB HEC 107 0.174 1.618 1.596 829 HHC HEC 107 HHC HEC 107 -4.433 4.988 4.570 830 HHD HEC 107 HHD HEC 107 -8.335 -0.188 4.285 831 HMA1 HEC 107 HMA1 HEC 107 1.293 -1.864 0.611 832 HMA2 HEC 107 HMA2 HEC 107 0.824 -0.599 -0.537 833 HMA3 HEC 107 HMA3 HEC 107 1.416 -0.180 1.089 834 HAA1 HEC 107 HAA1 HEC 107 -0.079 -3.642 0.688 835 HAA2 HEC 107 HAA2 HEC 107 -1.737 -4.155 0.784 836 HBA1 HEC 107 HBA1 HEC 107 -1.140 -2.487 -1.592 837 HBA2 HEC 107 HBA2 HEC 107 -0.270 -4.025 -1.514 838 HMB1 HEC 107 HMB1 HEC 107 0.347 5.355 2.317 839 HMB2 HEC 107 HMB2 HEC 107 1.089 3.802 2.718 840 HMB3 HEC 107 HMB3 HEC 107 0.354 4.078 1.111 841 HAB HEC 107 HAB HEC 107 -2.483 5.817 4.998 842 HBB1 HEC 107 HBB1 HEC 107 -1.807 7.866 3.943 843 HBB2 HEC 107 HBB2 HEC 107 -1.219 6.976 2.522 844 HBB3 HEC 107 HBB3 HEC 107 -2.950 6.963 2.931 845 HMC1 HEC 107 HMC1 HEC 107 -7.517 4.569 6.696 846 HMC2 HEC 107 HMC2 HEC 107 -6.028 5.246 6.076 847 HMC3 HEC 107 HMC3 HEC 107 -7.509 5.364 5.114 848 HAC HEC 107 HAC HEC 107 -9.036 1.050 5.770 849 HBC1 HEC 107 HBC1 HEC 107 -10.092 2.929 4.656 850 HBC2 HEC 107 HBC2 HEC 107 -10.669 2.706 6.320 851 HBC3 HEC 107 HBC3 HEC 107 -9.555 4.017 5.952 852 HMD1 HEC 107 HMD1 HEC 107 -9.339 -1.894 3.270 853 HMD2 HEC 107 HMD2 HEC 107 -9.022 -3.286 2.250 854 HMD3 HEC 107 HMD3 HEC 107 -8.593 -3.354 3.966 855 HAD1 HEC 107 HAD1 HEC 107 -7.372 -4.559 1.329 856 HAD2 HEC 107 HAD2 HEC 107 -5.739 -4.446 0.716 857 HBD1 HEC 107 HBD1 HEC 107 -6.555 -5.224 3.544 858 HBD2 HEC 107 HBD2 HEC 107 -5.914 -6.306 2.305 Start of MODEL 19 1 H SER 1 H SER 1 14.189 2.403 6.900 2 HA SER 1 HA SER 1 13.416 5.056 7.480 3 HB2 SER 1 HB2 SER 1 14.197 3.981 4.767 4 HB3 SER 1 HB3 SER 1 14.311 5.654 5.346 5 HG SER 1 HG SER 1 15.739 3.353 6.137 6 H GLY 2 H GLY 2 11.262 5.521 7.695 7 HA2 GLY 2 HA2 GLY 2 9.494 6.458 6.053 8 HA3 GLY 2 HA3 GLY 2 9.351 4.865 5.476 9 H GLU 3 H GLU 3 9.943 4.222 8.628 10 HA GLU 3 HA GLU 3 7.377 3.354 9.312 11 HB2 GLU 3 HB2 GLU 3 9.568 2.662 10.340 12 HB3 GLU 3 HB3 GLU 3 9.580 4.170 11.247 13 HG2 GLU 3 HG2 GLU 3 7.306 3.421 12.222 14 HG3 GLU 3 HG3 GLU 3 7.609 1.852 11.496 15 H GLN 4 H GLN 4 8.777 6.597 9.970 16 HA GLN 4 HA GLN 4 6.692 7.428 11.787 17 HB2 GLN 4 HB2 GLN 4 8.934 8.521 11.588 18 HB3 GLN 4 HB3 GLN 4 8.483 9.100 9.982 19 HG2 GLN 4 HG2 GLN 4 8.218 10.899 11.549 20 HG3 GLN 4 HG3 GLN 4 6.637 10.432 10.953 21 HE21 GLN 4 HE21 GLN 4 5.932 11.654 12.927 22 HE22 GLN 4 HE22 GLN 4 5.928 10.770 14.477 23 H ILE 5 H ILE 5 7.023 7.517 8.237 24 HA ILE 5 HA ILE 5 4.599 9.080 7.820 25 HB ILE 5 HB ILE 5 6.052 7.309 5.821 26 HG12 ILE 5 HG12 ILE 5 6.431 10.274 6.483 27 HG13 ILE 5 HG13 ILE 5 7.609 8.986 6.751 28 HG21 ILE 5 HG21 ILE 5 4.207 9.720 5.430 29 HG22 ILE 5 HG22 ILE 5 4.875 8.687 4.151 30 HG23 ILE 5 HG23 ILE 5 3.669 8.040 5.253 31 HD11 ILE 5 HD11 ILE 5 6.694 10.051 4.055 32 HD12 ILE 5 HD12 ILE 5 8.299 10.139 4.793 33 HD13 ILE 5 HD13 ILE 5 7.648 8.568 4.285 34 H PHE 6 H PHE 6 5.353 5.555 7.955 35 HA PHE 6 HA PHE 6 2.667 4.693 7.437 36 HB2 PHE 6 HB2 PHE 6 4.553 3.146 7.397 37 HB3 PHE 6 HB3 PHE 6 4.839 3.386 9.115 38 HD1 PHE 6 HD1 PHE 6 2.503 1.934 6.615 39 HD2 PHE 6 HD2 PHE 6 3.459 2.292 10.803 40 HE1 PHE 6 HE1 PHE 6 0.782 0.228 7.160 41 HE2 PHE 6 HE2 PHE 6 1.752 0.569 11.338 42 HZ PHE 6 HZ PHE 6 0.402 -0.457 9.520 43 H ARG 7 H ARG 7 4.265 5.382 10.580 44 HA ARG 7 HA ARG 7 2.035 4.901 12.254 45 HB2 ARG 7 HB2 ARG 7 4.420 4.971 12.897 46 HB3 ARG 7 HB3 ARG 7 4.443 6.714 12.660 47 HG2 ARG 7 HG2 ARG 7 4.361 6.076 15.011 48 HG3 ARG 7 HG3 ARG 7 2.968 7.043 14.578 49 HD2 ARG 7 HD2 ARG 7 2.582 4.077 14.386 50 HD3 ARG 7 HD3 ARG 7 2.913 4.695 16.009 51 HE ARG 7 HE ARG 7 0.991 6.405 15.146 52 HH11 ARG 7 HH11 ARG 7 1.079 2.843 15.323 53 HH12 ARG 7 HH12 ARG 7 -0.644 2.719 15.596 54 HH21 ARG 7 HH21 ARG 7 -1.222 6.192 15.491 55 HH22 ARG 7 HH22 ARG 7 -1.943 4.613 15.708 56 H THR 8 H THR 8 2.710 7.707 10.297 57 HA THR 8 HA THR 8 0.570 9.248 11.691 58 HB THR 8 HB THR 8 1.410 11.217 10.439 59 HG1 THR 8 HG1 THR 8 3.666 9.585 9.938 60 HG21 THR 8 HG21 THR 8 3.492 9.793 12.167 61 HG22 THR 8 HG22 THR 8 2.120 10.746 12.763 62 HG23 THR 8 HG23 THR 8 3.397 11.535 11.827 63 H ARG 9 H ARG 9 1.199 7.845 8.481 64 HA ARG 9 HA ARG 9 -1.408 8.990 7.567 65 HB2 ARG 9 HB2 ARG 9 0.821 7.769 5.912 66 HB3 ARG 9 HB3 ARG 9 -0.655 8.532 5.322 67 HG2 ARG 9 HG2 ARG 9 0.080 10.655 6.547 68 HG3 ARG 9 HG3 ARG 9 1.655 9.872 6.777 69 HD2 ARG 9 HD2 ARG 9 1.801 9.536 4.295 70 HD3 ARG 9 HD3 ARG 9 0.285 10.429 4.105 71 HE ARG 9 HE ARG 9 2.928 11.492 4.504 72 HH11 ARG 9 HH11 ARG 9 -0.486 12.238 5.225 73 HH12 ARG 9 HH12 ARG 9 -0.197 13.961 5.289 74 HH21 ARG 9 HH21 ARG 9 3.246 13.730 4.598 75 HH22 ARG 9 HH22 ARG 9 1.905 14.801 4.941 76 H CYS 10 H CYS 10 0.040 5.842 8.253 77 HA CYS 10 HA CYS 10 -2.127 4.482 6.693 78 HB2 CYS 10 HB2 CYS 10 0.713 3.635 7.260 79 HB3 CYS 10 HB3 CYS 10 -0.437 2.749 6.264 80 H SER 11 H SER 11 -0.753 4.556 9.892 81 HA SER 11 HA SER 11 -1.508 1.933 10.756 82 HB2 SER 11 HB2 SER 11 -1.295 3.053 13.041 83 HB3 SER 11 HB3 SER 11 0.111 3.129 11.975 84 HG SER 11 HG SER 11 -1.793 5.209 12.419 85 H SER 12 H SER 12 -3.033 1.844 12.777 86 HA SER 12 HA SER 12 -5.097 1.587 13.561 87 HB2 SER 12 HB2 SER 12 -5.958 4.167 12.251 88 HB3 SER 12 HB3 SER 12 -6.667 3.350 13.647 89 HG SER 12 HG SER 12 -4.288 4.842 13.436 90 H CYS 13 H CYS 13 -5.094 2.120 10.041 91 HA CYS 13 HA CYS 13 -7.270 0.094 9.781 92 HB2 CYS 13 HB2 CYS 13 -5.549 1.478 7.710 93 HB3 CYS 13 HB3 CYS 13 -6.540 0.066 7.366 94 H HIS 14 H HIS 14 -3.722 0.316 9.046 95 HA HIS 14 HA HIS 14 -3.660 -2.622 8.711 96 HB2 HIS 14 2HB HIS 14 -1.848 -0.369 7.830 97 HB3 HIS 14 3HB HIS 14 -1.321 -2.028 7.749 98 HD1 HIS 14 1HD HIS 14 -3.033 -3.734 6.158 99 HD2 HIS 14 2HD HIS 14 -2.832 0.419 5.761 100 HE1 HIS 14 1HE HIS 14 -3.902 -3.239 3.832 101 H THR 15 H THR 15 -1.684 -3.600 9.033 102 HA THR 15 HA THR 15 -0.041 -3.051 11.438 103 HB THR 15 HB THR 15 -0.017 -5.625 11.782 104 HG1 THR 15 HG1 THR 15 -1.567 -6.754 11.044 105 HG21 THR 15 HG21 THR 15 -2.438 -4.021 12.672 106 HG22 THR 15 HG22 THR 15 -0.862 -4.112 13.489 107 HG23 THR 15 HG23 THR 15 -1.882 -5.558 13.380 108 H VAL 16 H VAL 16 2.042 -4.119 11.304 109 HA VAL 16 HA VAL 16 2.657 -5.453 8.741 110 HB VAL 16 HB VAL 16 3.814 -3.782 7.953 111 HG11 VAL 16 HG11 VAL 16 2.914 -2.078 9.334 112 HG12 VAL 16 HG12 VAL 16 4.091 -2.458 10.635 113 HG13 VAL 16 HG13 VAL 16 4.638 -1.809 9.072 114 HG21 VAL 16 HG21 VAL 16 5.640 -5.306 8.610 115 HG22 VAL 16 HG22 VAL 16 6.118 -3.625 8.416 116 HG23 VAL 16 HG23 VAL 16 5.917 -4.294 10.045 117 H GLY 17 H GLY 17 2.881 -7.335 9.257 118 HA2 GLY 17 HA2 GLY 17 4.085 -9.225 9.945 119 HA3 GLY 17 HA3 GLY 17 5.052 -8.251 11.057 120 H ASN 18 H ASN 18 1.539 -7.947 11.148 121 HA ASN 18 HA ASN 18 1.371 -9.599 13.603 122 HB2 ASN 18 HB2 ASN 18 2.230 -7.380 14.331 123 HB3 ASN 18 HB3 ASN 18 0.831 -6.601 13.605 124 HD21 ASN 18 HD21 ASN 18 0.718 -5.780 15.946 125 HD22 ASN 18 HD22 ASN 18 -0.177 -6.796 17.069 126 H THR 19 H THR 19 -0.569 -10.404 14.027 127 HA THR 19 HA THR 19 -2.961 -9.593 12.445 128 HB THR 19 HB THR 19 -3.469 -12.109 12.270 129 HG1 THR 19 HG1 THR 19 -1.629 -12.622 13.765 130 HG21 THR 19 HG21 THR 19 -1.077 -11.019 10.739 131 HG22 THR 19 HG22 THR 19 -2.787 -10.758 10.340 132 HG23 THR 19 HG23 THR 19 -2.102 -12.389 10.268 133 H GLU 20 H GLU 20 -2.065 -9.291 15.393 134 HA GLU 20 HA GLU 20 -3.502 -10.921 17.076 135 HB2 GLU 20 HB2 GLU 20 -3.340 -9.150 18.752 136 HB3 GLU 20 HB3 GLU 20 -1.851 -9.279 17.823 137 HG2 GLU 20 HG2 GLU 20 -2.521 -7.296 16.477 138 HG3 GLU 20 HG3 GLU 20 -4.040 -7.208 17.372 139 HA PRO 21 HA PRO 21 -7.855 -9.873 16.770 140 HB2 PRO 21 HB2 PRO 21 -8.802 -10.486 19.243 141 HB3 PRO 21 HB3 PRO 21 -8.267 -11.733 18.079 142 HG2 PRO 21 HG2 PRO 21 -6.665 -10.519 20.357 143 HG3 PRO 21 HG3 PRO 21 -6.891 -12.254 19.969 144 HD2 PRO 21 HD2 PRO 21 -4.695 -10.880 19.154 145 HD3 PRO 21 HD3 PRO 21 -5.448 -12.120 18.110 146 H GLY 22 H GLY 22 -9.236 -8.167 17.234 147 HA2 GLY 22 HA2 GLY 22 -9.529 -6.052 18.772 148 HA3 GLY 22 HA3 GLY 22 -7.840 -5.787 18.365 149 H GLN 23 H GLN 23 -8.636 -3.742 17.400 150 HA GLN 23 HA GLN 23 -10.143 -3.780 14.990 151 HB2 GLN 23 HB2 GLN 23 -9.521 -1.558 14.619 152 HB3 GLN 23 HB3 GLN 23 -9.748 -1.781 16.350 153 HG2 GLN 23 HG2 GLN 23 -7.261 -1.864 16.644 154 HG3 GLN 23 HG3 GLN 23 -7.065 -1.585 14.902 155 HE21 GLN 23 HE21 GLN 23 -7.691 0.579 14.024 156 HE22 GLN 23 HE22 GLN 23 -8.074 1.881 15.157 157 HA PRO 24 HA PRO 24 -6.077 -4.480 12.490 158 HB2 PRO 24 HB2 PRO 24 -5.392 -7.011 13.993 159 HB3 PRO 24 HB3 PRO 24 -4.321 -5.994 12.983 160 HG2 PRO 24 HG2 PRO 24 -4.241 -5.677 15.642 161 HG3 PRO 24 HG3 PRO 24 -4.369 -4.212 14.618 162 HD2 PRO 24 HD2 PRO 24 -6.586 -5.709 16.044 163 HD3 PRO 24 HD3 PRO 24 -6.244 -3.949 16.057 164 H GLY 25 H GLY 25 -6.266 -5.668 10.635 165 HA2 GLY 25 HA2 GLY 25 -7.279 -7.314 9.209 166 HA3 GLY 25 HA3 GLY 25 -8.452 -7.700 10.465 167 H ILE 26 H ILE 26 -8.482 -4.356 10.440 168 HA ILE 26 HA ILE 26 -10.655 -4.014 8.498 169 HB ILE 26 HB ILE 26 -8.862 -2.044 9.967 170 HG12 ILE 26 HG12 ILE 26 -11.845 -2.662 10.256 171 HG13 ILE 26 HG13 ILE 26 -10.594 -3.362 11.273 172 HG21 ILE 26 HG21 ILE 26 -10.367 -0.249 9.133 173 HG22 ILE 26 HG22 ILE 26 -9.532 -1.021 7.801 174 HG23 ILE 26 HG23 ILE 26 -11.230 -1.436 8.132 175 HD11 ILE 26 HD11 ILE 26 -11.563 -1.549 12.480 176 HD12 ILE 26 HD12 ILE 26 -9.932 -1.042 12.001 177 HD13 ILE 26 HD13 ILE 26 -11.363 -0.428 11.131 178 H GLY 27 H GLY 27 -7.193 -3.103 8.533 179 HA2 GLY 27 HA2 GLY 27 -7.031 -3.758 5.617 180 HA3 GLY 27 HA3 GLY 27 -5.865 -2.777 6.497 181 HA PRO 28 HA PRO 28 -5.164 -7.678 7.213 182 HB2 PRO 28 HB2 PRO 28 -4.374 -7.478 4.293 183 HB3 PRO 28 HB3 PRO 28 -4.781 -8.942 5.243 184 HG2 PRO 28 HG2 PRO 28 -6.650 -7.776 3.668 185 HG3 PRO 28 HG3 PRO 28 -7.085 -8.375 5.298 186 HD2 PRO 28 HD2 PRO 28 -6.680 -5.548 4.392 187 HD3 PRO 28 HD3 PRO 28 -7.752 -6.192 5.652 188 H ASP 29 H ASP 29 -3.027 -8.638 7.172 189 HA ASP 29 HA ASP 29 -1.013 -6.826 8.079 190 HB2 ASP 29 HB2 ASP 29 -1.407 -9.086 8.957 191 HB3 ASP 29 HB3 ASP 29 -0.925 -9.795 7.408 192 H LEU 30 H LEU 30 0.989 -6.387 7.403 193 HA LEU 30 HA LEU 30 1.427 -6.238 4.450 194 HB2 LEU 30 HB2 LEU 30 2.246 -4.461 6.757 195 HB3 LEU 30 HB3 LEU 30 2.807 -4.174 5.119 196 HG LEU 30 HG LEU 30 -0.080 -4.190 6.050 197 HD11 LEU 30 HD11 LEU 30 1.171 -2.344 7.077 198 HD12 LEU 30 HD12 LEU 30 0.098 -1.704 5.822 199 HD13 LEU 30 HD13 LEU 30 1.842 -1.868 5.502 200 HD21 LEU 30 HD21 LEU 30 1.237 -3.152 3.465 201 HD22 LEU 30 HD22 LEU 30 -0.488 -2.988 3.882 202 HD23 LEU 30 HD23 LEU 30 0.202 -4.583 3.591 203 H LEU 31 H LEU 31 3.859 -5.474 6.765 204 HA LEU 31 HA LEU 31 6.089 -5.691 6.529 205 HB2 LEU 31 HB2 LEU 31 5.334 -7.379 8.209 206 HB3 LEU 31 HB3 LEU 31 5.473 -8.627 7.027 207 HG LEU 31 HG LEU 31 7.794 -8.660 7.141 208 HD11 LEU 31 HD11 LEU 31 9.273 -6.843 7.915 209 HD12 LEU 31 HD12 LEU 31 7.886 -5.762 8.071 210 HD13 LEU 31 HD13 LEU 31 8.377 -6.379 6.471 211 HD21 LEU 31 HD21 LEU 31 7.078 -7.370 9.802 212 HD22 LEU 31 HD22 LEU 31 8.472 -8.421 9.484 213 HD23 LEU 31 HD23 LEU 31 6.835 -9.084 9.387 214 H GLY 32 H GLY 32 6.707 -8.658 5.500 215 HA2 GLY 32 HA2 GLY 32 8.006 -8.001 3.067 216 HA3 GLY 32 HA3 GLY 32 7.657 -9.631 3.631 217 H VAL 33 H VAL 33 4.819 -7.651 3.028 218 HA VAL 33 HA VAL 33 3.803 -9.272 0.938 219 HB VAL 33 HB VAL 33 2.424 -7.819 2.312 220 HG11 VAL 33 HG11 VAL 33 3.516 -5.454 0.731 221 HG12 VAL 33 HG12 VAL 33 2.188 -5.427 1.907 222 HG13 VAL 33 HG13 VAL 33 3.829 -5.788 2.450 223 HG21 VAL 33 HG21 VAL 33 1.574 -8.612 0.153 224 HG22 VAL 33 HG22 VAL 33 0.882 -7.049 0.613 225 HG23 VAL 33 HG23 VAL 33 2.142 -7.111 -0.627 226 H THR 34 H THR 34 5.961 -6.478 0.736 227 HA THR 34 HA THR 34 6.043 -6.132 -2.099 228 HB THR 34 HB THR 34 8.449 -5.183 -1.305 229 HG1 THR 34 HG1 THR 34 8.508 -5.868 0.744 230 HG21 THR 34 HG21 THR 34 7.307 -3.097 -0.645 231 HG22 THR 34 HG22 THR 34 5.757 -3.965 -0.557 232 HG23 THR 34 HG23 THR 34 6.601 -3.785 -2.114 233 H ARG 35 H ARG 35 7.200 -8.789 -0.303 234 HA ARG 35 HA ARG 35 8.567 -9.740 -2.760 235 HB2 ARG 35 HB2 ARG 35 10.081 -11.145 -1.413 236 HB3 ARG 35 HB3 ARG 35 10.316 -9.419 -1.299 237 HG2 ARG 35 HG2 ARG 35 10.680 -10.142 0.861 238 HG3 ARG 35 HG3 ARG 35 9.083 -9.449 0.919 239 HD2 ARG 35 HD2 ARG 35 8.698 -11.368 2.109 240 HD3 ARG 35 HD3 ARG 35 8.337 -12.019 0.516 241 HE ARG 35 HE ARG 35 10.781 -12.411 2.169 242 HH11 ARG 35 HH11 ARG 35 9.048 -13.377 -0.803 243 HH12 ARG 35 HH12 ARG 35 10.114 -14.735 -1.085 244 HH21 ARG 35 HH21 ARG 35 12.110 -14.168 1.753 245 HH22 ARG 35 HH22 ARG 35 11.835 -15.181 0.355 246 H GLN 36 H GLN 36 5.732 -9.930 -1.613 247 HA GLN 36 HA GLN 36 5.385 -12.822 -2.302 248 HB2 GLN 36 HB2 GLN 36 3.640 -11.122 -0.490 249 HB3 GLN 36 HB3 GLN 36 3.356 -12.797 -0.926 250 HG2 GLN 36 HG2 GLN 36 5.690 -11.769 0.737 251 HG3 GLN 36 HG3 GLN 36 4.261 -12.569 1.352 252 HE21 GLN 36 HE21 GLN 36 6.633 -13.602 2.116 253 HE22 GLN 36 HE22 GLN 36 7.038 -15.052 1.196 254 H ARG 37 H ARG 37 4.244 -9.525 -2.850 255 HA ARG 37 HA ARG 37 2.288 -10.377 -4.940 256 HB2 ARG 37 HB2 ARG 37 2.659 -7.862 -3.283 257 HB3 ARG 37 HB3 ARG 37 1.527 -7.943 -4.626 258 HG2 ARG 37 HG2 ARG 37 1.362 -10.047 -2.436 259 HG3 ARG 37 HG3 ARG 37 0.715 -8.436 -2.172 260 HD2 ARG 37 HD2 ARG 37 -0.770 -8.622 -4.091 261 HD3 ARG 37 HD3 ARG 37 -0.051 -10.173 -4.540 262 HE ARG 37 HE ARG 37 -1.451 -11.215 -3.108 263 HH11 ARG 37 HH11 ARG 37 -1.225 -7.860 -1.881 264 HH12 ARG 37 HH12 ARG 37 -2.493 -8.117 -0.704 265 HH21 ARG 37 HH21 ARG 37 -3.080 -11.461 -1.567 266 HH22 ARG 37 HH22 ARG 37 -3.525 -10.127 -0.526 267 H ASP 38 H ASP 38 2.146 -8.247 -6.630 268 HA ASP 38 HA ASP 38 4.701 -8.362 -8.065 269 HB2 ASP 38 HB2 ASP 38 2.522 -8.414 -9.271 270 HB3 ASP 38 HB3 ASP 38 2.241 -6.761 -8.781 271 H ALA 39 H ALA 39 6.328 -7.174 -7.573 272 HA ALA 39 HA ALA 39 6.359 -5.136 -5.647 273 HB1 ALA 39 HB1 ALA 39 8.386 -6.046 -7.721 274 HB2 ALA 39 HB2 ALA 39 8.773 -4.968 -6.384 275 HB3 ALA 39 HB3 ALA 39 8.220 -6.628 -6.050 276 H ASN 40 H ASN 40 5.701 -4.680 -9.040 277 HA ASN 40 HA ASN 40 6.321 -1.751 -8.806 278 HB2 ASN 40 HB2 ASN 40 6.126 -3.581 -11.213 279 HB3 ASN 40 HB3 ASN 40 5.925 -1.836 -11.339 280 HD21 ASN 40 HD21 ASN 40 7.782 -1.838 -12.750 281 HD22 ASN 40 HD22 ASN 40 9.386 -1.859 -12.026 282 H TRP 41 H TRP 41 3.709 -4.067 -9.689 283 HA TRP 41 HA TRP 41 1.691 -2.103 -10.199 284 HB2 TRP 41 HB2 TRP 41 1.435 -4.555 -10.673 285 HB3 TRP 41 HB3 TRP 41 1.398 -4.838 -8.941 286 HD1 TRP 41 HD1 TRP 41 -0.826 -3.382 -11.707 287 HE1 TRP 41 HE1 TRP 41 -3.239 -3.174 -10.838 288 HE3 TRP 41 HE3 TRP 41 0.003 -4.571 -6.794 289 HZ2 TRP 41 HZ2 TRP 41 -4.564 -3.287 -8.270 290 HZ3 TRP 41 HZ3 TRP 41 -1.812 -4.325 -5.134 291 HH2 TRP 41 HH2 TRP 41 -4.095 -3.708 -5.833 292 H LEU 42 H LEU 42 2.698 -3.655 -7.117 293 HA LEU 42 HA LEU 42 0.831 -2.555 -5.357 294 HB2 LEU 42 HB2 LEU 42 2.412 -4.324 -4.887 295 HB3 LEU 42 HB3 LEU 42 3.790 -3.243 -5.015 296 HG LEU 42 HG LEU 42 1.656 -2.787 -2.901 297 HD11 LEU 42 HD11 LEU 42 3.012 -4.182 -1.359 298 HD12 LEU 42 HD12 LEU 42 4.064 -4.650 -2.718 299 HD13 LEU 42 HD13 LEU 42 2.357 -5.135 -2.692 300 HD21 LEU 42 HD21 LEU 42 3.364 -0.997 -3.075 301 HD22 LEU 42 HD22 LEU 42 4.659 -2.204 -3.007 302 HD23 LEU 42 HD23 LEU 42 3.619 -1.919 -1.600 303 H VAL 43 H VAL 43 3.678 -0.976 -6.732 304 HA VAL 43 HA VAL 43 3.521 1.369 -4.982 305 HB VAL 43 HB VAL 43 5.196 1.002 -7.486 306 HG11 VAL 43 HG11 VAL 43 5.576 2.738 -5.012 307 HG12 VAL 43 HG12 VAL 43 6.688 2.635 -6.390 308 HG13 VAL 43 HG13 VAL 43 5.081 3.330 -6.619 309 HG21 VAL 43 HG21 VAL 43 5.746 -0.855 -6.028 310 HG22 VAL 43 HG22 VAL 43 7.027 0.344 -5.852 311 HG23 VAL 43 HG23 VAL 43 5.777 0.185 -4.601 312 H ARG 44 H ARG 44 2.743 0.636 -8.410 313 HA ARG 44 HA ARG 44 1.707 3.218 -9.129 314 HB2 ARG 44 HB2 ARG 44 1.269 0.397 -10.143 315 HB3 ARG 44 HB3 ARG 44 0.167 1.673 -10.625 316 HG2 ARG 44 HG2 ARG 44 1.671 1.610 -12.352 317 HG3 ARG 44 HG3 ARG 44 2.154 3.028 -11.439 318 HD2 ARG 44 HD2 ARG 44 3.496 0.292 -11.230 319 HD3 ARG 44 HD3 ARG 44 4.007 1.546 -12.351 320 HE ARG 44 HE ARG 44 4.457 1.453 -9.469 321 HH11 ARG 44 HH11 ARG 44 4.458 3.590 -12.329 322 HH12 ARG 44 HH12 ARG 44 5.535 4.750 -11.583 323 HH21 ARG 44 HH21 ARG 44 5.845 2.983 -8.554 324 HH22 ARG 44 HH22 ARG 44 6.316 4.407 -9.454 325 H TRP 45 H TRP 45 0.104 0.354 -7.725 326 HA TRP 45 HA TRP 45 -2.506 1.374 -7.314 327 HB2 TRP 45 HB2 TRP 45 -2.214 -0.921 -7.010 328 HB3 TRP 45 HB3 TRP 45 -0.775 -0.726 -6.035 329 HD1 TRP 45 HD1 TRP 45 -0.982 -1.117 -3.611 330 HE1 TRP 45 HE1 TRP 45 -2.875 -1.411 -1.916 331 HE3 TRP 45 HE3 TRP 45 -4.925 0.280 -6.559 332 HZ2 TRP 45 HZ2 TRP 45 -5.742 -0.954 -1.801 333 HZ3 TRP 45 HZ3 TRP 45 -7.228 0.359 -5.623 334 HH2 TRP 45 HH2 TRP 45 -7.645 -0.264 -3.262 335 H LEU 46 H LEU 46 0.197 1.380 -4.895 336 HA LEU 46 HA LEU 46 -1.205 2.788 -2.929 337 HB2 LEU 46 HB2 LEU 46 0.887 1.548 -2.582 338 HB3 LEU 46 HB3 LEU 46 1.776 2.728 -3.545 339 HG LEU 46 HG LEU 46 1.364 4.476 -1.845 340 HD11 LEU 46 HD11 LEU 46 -0.792 3.745 -0.916 341 HD12 LEU 46 HD12 LEU 46 0.414 3.862 0.358 342 HD13 LEU 46 HD13 LEU 46 -0.038 2.262 -0.286 343 HD21 LEU 46 HD21 LEU 46 3.354 3.057 -1.668 344 HD22 LEU 46 HD22 LEU 46 2.457 1.885 -0.685 345 HD23 LEU 46 HD23 LEU 46 2.769 3.529 -0.066 346 H LYS 47 H LYS 47 0.545 4.149 -5.692 347 HA LYS 47 HA LYS 47 0.541 6.882 -4.733 348 HB2 LYS 47 HB2 LYS 47 2.174 5.821 -6.317 349 HB3 LYS 47 HB3 LYS 47 0.914 5.819 -7.557 350 HG2 LYS 47 HG2 LYS 47 0.858 8.265 -7.566 351 HG3 LYS 47 HG3 LYS 47 1.879 8.340 -6.122 352 HD2 LYS 47 HD2 LYS 47 3.198 8.879 -8.102 353 HD3 LYS 47 HD3 LYS 47 3.769 7.368 -7.379 354 HE2 LYS 47 HE2 LYS 47 2.378 6.103 -9.068 355 HE3 LYS 47 HE3 LYS 47 1.952 7.644 -9.824 356 HZ1 LYS 47 HZ1 LYS 47 4.716 6.595 -9.535 357 HZ2 LYS 47 HZ2 LYS 47 4.295 7.984 -10.314 358 HZ3 LYS 47 HZ3 LYS 47 3.800 6.542 -10.913 359 H VAL 48 H VAL 48 -1.895 4.983 -6.356 360 HA VAL 48 HA VAL 48 -3.784 7.217 -6.183 361 HB VAL 48 HB VAL 48 -4.538 6.770 -8.614 362 HG11 VAL 48 HG11 VAL 48 -3.597 8.909 -7.824 363 HG12 VAL 48 HG12 VAL 48 -1.995 8.360 -8.367 364 HG13 VAL 48 HG13 VAL 48 -3.310 8.539 -9.534 365 HG21 VAL 48 HG21 VAL 48 -2.955 6.078 -10.233 366 HG22 VAL 48 HG22 VAL 48 -1.611 6.094 -9.064 367 HG23 VAL 48 HG23 VAL 48 -2.860 4.853 -8.947 368 HA PRO 49 HA PRO 49 -5.377 2.866 -5.545 369 HB2 PRO 49 HB2 PRO 49 -6.357 3.814 -2.898 370 HB3 PRO 49 HB3 PRO 49 -5.435 2.337 -3.292 371 HG2 PRO 49 HG2 PRO 49 -4.281 4.458 -2.024 372 HG3 PRO 49 HG3 PRO 49 -3.383 3.529 -3.262 373 HD2 PRO 49 HD2 PRO 49 -4.992 6.062 -3.600 374 HD3 PRO 49 HD3 PRO 49 -3.297 5.781 -4.111 375 H ASP 50 H ASP 50 -7.024 5.996 -5.169 376 HA ASP 50 HA ASP 50 -9.691 4.726 -5.559 377 HB2 ASP 50 HB2 ASP 50 -9.451 6.613 -3.977 378 HB3 ASP 50 HB3 ASP 50 -8.950 7.656 -5.316 379 H GLN 51 H GLN 51 -7.313 6.673 -7.420 380 HA GLN 51 HA GLN 51 -9.099 6.898 -9.687 381 HB2 GLN 51 HB2 GLN 51 -7.062 8.423 -9.064 382 HB3 GLN 51 HB3 GLN 51 -6.123 7.223 -9.977 383 HG2 GLN 51 HG2 GLN 51 -7.698 7.551 -11.914 384 HG3 GLN 51 HG3 GLN 51 -8.500 8.824 -11.002 385 HE21 GLN 51 HE21 GLN 51 -7.782 9.728 -13.292 386 HE22 GLN 51 HE22 GLN 51 -6.204 10.510 -13.328 387 H MET 52 H MET 52 -6.462 4.543 -8.891 388 HA MET 52 HA MET 52 -6.531 3.042 -11.309 389 HB2 MET 52 HB2 MET 52 -6.017 2.339 -8.394 390 HB3 MET 52 HB3 MET 52 -5.873 1.136 -9.681 391 HG2 MET 52 HG2 MET 52 -4.444 3.780 -9.898 392 HG3 MET 52 HG3 MET 52 -3.769 2.504 -8.888 393 HE1 MET 52 HE1 MET 52 -4.101 -0.170 -10.243 394 HE2 MET 52 HE2 MET 52 -2.684 -0.246 -11.314 395 HE3 MET 52 HE3 MET 52 -2.536 0.457 -9.685 396 H LEU 53 H LEU 53 -8.727 2.962 -8.498 397 HA LEU 53 HA LEU 53 -10.238 0.701 -9.503 398 HB2 LEU 53 HB2 LEU 53 -9.838 1.368 -7.075 399 HB3 LEU 53 HB3 LEU 53 -10.950 2.703 -7.326 400 HG LEU 53 HG LEU 53 -12.755 1.021 -7.866 401 HD11 LEU 53 HD11 LEU 53 -10.700 -1.015 -6.868 402 HD12 LEU 53 HD12 LEU 53 -11.276 -0.896 -8.540 403 HD13 LEU 53 HD13 LEU 53 -12.405 -1.329 -7.270 404 HD21 LEU 53 HD21 LEU 53 -11.373 0.653 -5.158 405 HD22 LEU 53 HD22 LEU 53 -13.070 0.286 -5.531 406 HD23 LEU 53 HD23 LEU 53 -12.498 1.959 -5.585 407 H ALA 54 H ALA 54 -10.466 4.201 -9.922 408 HA ALA 54 HA ALA 54 -13.073 4.125 -11.232 409 HB1 ALA 54 HB1 ALA 54 -12.276 6.094 -9.982 410 HB2 ALA 54 HB2 ALA 54 -10.940 6.297 -11.143 411 HB3 ALA 54 HB3 ALA 54 -12.621 6.488 -11.677 412 H GLU 55 H GLU 55 -9.682 4.137 -12.343 413 HA GLU 55 HA GLU 55 -10.203 3.996 -15.193 414 HB2 GLU 55 HB2 GLU 55 -8.089 4.759 -14.112 415 HB3 GLU 55 HB3 GLU 55 -7.830 3.141 -13.487 416 HG2 GLU 55 HG2 GLU 55 -6.673 2.609 -15.308 417 HG3 GLU 55 HG3 GLU 55 -8.084 2.835 -16.320 418 H LYS 56 H LYS 56 -10.584 1.761 -12.629 419 HA LYS 56 HA LYS 56 -11.038 -0.417 -12.396 420 HB2 LYS 56 HB2 LYS 56 -11.919 -0.409 -15.295 421 HB3 LYS 56 HB3 LYS 56 -12.314 -1.623 -14.076 422 HG2 LYS 56 HG2 LYS 56 -13.511 0.130 -12.751 423 HG3 LYS 56 HG3 LYS 56 -13.205 1.285 -14.048 424 HD2 LYS 56 HD2 LYS 56 -14.840 -1.283 -14.271 425 HD3 LYS 56 HD3 LYS 56 -15.466 0.374 -14.211 426 HE2 LYS 56 HE2 LYS 56 -14.063 0.834 -16.308 427 HE3 LYS 56 HE3 LYS 56 -13.799 -0.908 -16.422 428 HZ1 LYS 56 HZ1 LYS 56 -16.486 0.366 -16.402 429 HZ2 LYS 56 HZ2 LYS 56 -16.183 -1.212 -16.705 430 HZ3 LYS 56 HZ3 LYS 56 -15.668 -0.098 -17.766 431 H ASP 57 H ASP 57 -8.478 -0.018 -12.541 432 HA ASP 57 HA ASP 57 -7.000 -1.855 -14.264 433 HB2 ASP 57 HB2 ASP 57 -5.897 -0.001 -12.988 434 HB3 ASP 57 HB3 ASP 57 -6.297 -0.834 -11.481 435 HA PRO 58 HA PRO 58 -9.678 -4.674 -12.598 436 HB2 PRO 58 HB2 PRO 58 -9.234 -6.853 -14.121 437 HB3 PRO 58 HB3 PRO 58 -9.713 -5.212 -14.712 438 HG2 PRO 58 HG2 PRO 58 -6.842 -6.173 -14.589 439 HG3 PRO 58 HG3 PRO 58 -7.767 -5.759 -16.084 440 HD2 PRO 58 HD2 PRO 58 -6.290 -3.962 -14.765 441 HD3 PRO 58 HD3 PRO 58 -7.926 -3.514 -15.330 442 H LEU 59 H LEU 59 -6.342 -5.461 -12.193 443 HA LEU 59 HA LEU 59 -6.732 -7.448 -10.093 444 HB2 LEU 59 HB2 LEU 59 -4.594 -7.171 -11.277 445 HB3 LEU 59 HB3 LEU 59 -4.406 -5.557 -10.587 446 HG LEU 59 HG LEU 59 -4.166 -6.485 -8.339 447 HD11 LEU 59 HD11 LEU 59 -5.615 -8.459 -8.419 448 HD12 LEU 59 HD12 LEU 59 -3.974 -8.946 -8.002 449 HD13 LEU 59 HD13 LEU 59 -4.575 -9.208 -9.655 450 HD21 LEU 59 HD21 LEU 59 -2.473 -8.000 -10.365 451 HD22 LEU 59 HD22 LEU 59 -2.047 -7.681 -8.667 452 HD23 LEU 59 HD23 LEU 59 -2.180 -6.337 -9.810 453 H ALA 60 H ALA 60 -6.756 -3.839 -10.085 454 HA ALA 60 HA ALA 60 -6.991 -3.707 -7.173 455 HB1 ALA 60 HB1 ALA 60 -7.547 -1.413 -7.474 456 HB2 ALA 60 HB2 ALA 60 -6.159 -1.788 -8.514 457 HB3 ALA 60 HB3 ALA 60 -7.784 -1.615 -9.219 458 H MET 61 H MET 61 -9.329 -3.738 -9.916 459 HA MET 61 HA MET 61 -11.726 -3.536 -8.443 460 HB2 MET 61 HB2 MET 61 -11.150 -5.275 -10.879 461 HB3 MET 61 HB3 MET 61 -12.741 -4.800 -10.312 462 HG2 MET 61 HG2 MET 61 -10.603 -2.819 -11.201 463 HG3 MET 61 HG3 MET 61 -11.839 -3.473 -12.263 464 HE1 MET 61 HE1 MET 61 -14.502 -3.516 -10.730 465 HE2 MET 61 HE2 MET 61 -15.097 -1.906 -11.208 466 HE3 MET 61 HE3 MET 61 -14.165 -2.901 -12.362 467 H LEU 62 H LEU 62 -9.591 -6.373 -8.773 468 HA LEU 62 HA LEU 62 -11.289 -8.176 -7.262 469 HB2 LEU 62 HB2 LEU 62 -9.510 -8.640 -9.049 470 HB3 LEU 62 HB3 LEU 62 -8.303 -8.282 -7.817 471 HG LEU 62 HG LEU 62 -10.443 -10.392 -7.449 472 HD11 LEU 62 HD11 LEU 62 -7.660 -10.775 -8.638 473 HD12 LEU 62 HD12 LEU 62 -9.202 -10.923 -9.513 474 HD13 LEU 62 HD13 LEU 62 -8.806 -12.072 -8.232 475 HD21 LEU 62 HD21 LEU 62 -9.243 -9.871 -5.366 476 HD22 LEU 62 HD22 LEU 62 -7.677 -10.021 -6.196 477 HD23 LEU 62 HD23 LEU 62 -8.717 -11.438 -5.946 478 H LEU 63 H LEU 63 -8.270 -6.303 -6.536 479 HA LEU 63 HA LEU 63 -7.983 -7.400 -3.930 480 HB2 LEU 63 HB2 LEU 63 -6.206 -6.695 -5.442 481 HB3 LEU 63 HB3 LEU 63 -6.774 -5.041 -5.452 482 HG LEU 63 HG LEU 63 -4.653 -5.573 -4.234 483 HD11 LEU 63 HD11 LEU 63 -5.011 -3.956 -2.478 484 HD12 LEU 63 HD12 LEU 63 -6.777 -4.106 -2.644 485 HD13 LEU 63 HD13 LEU 63 -5.814 -3.448 -3.971 486 HD21 LEU 63 HD21 LEU 63 -4.707 -6.442 -1.996 487 HD22 LEU 63 HD22 LEU 63 -5.451 -7.615 -3.099 488 HD23 LEU 63 HD23 LEU 63 -6.474 -6.616 -2.043 489 H PHE 64 H PHE 64 -9.699 -4.541 -5.049 490 HA PHE 64 HA PHE 64 -10.121 -3.532 -2.304 491 HB2 PHE 64 HB2 PHE 64 -10.752 -1.698 -3.347 492 HB3 PHE 64 HB3 PHE 64 -10.542 -2.461 -4.900 493 HD1 PHE 64 HD1 PHE 64 -12.510 -3.608 -6.017 494 HD2 PHE 64 HD2 PHE 64 -12.949 -1.314 -2.401 495 HE1 PHE 64 HE1 PHE 64 -14.968 -3.614 -6.309 496 HE2 PHE 64 HE2 PHE 64 -15.392 -1.272 -2.709 497 HZ PHE 64 HZ PHE 64 -16.425 -2.415 -4.672 498 H GLU 65 H GLU 65 -11.841 -5.740 -4.511 499 HA GLU 65 HA GLU 65 -14.328 -5.697 -3.108 500 HB2 GLU 65 HB2 GLU 65 -14.274 -5.927 -5.461 501 HB3 GLU 65 HB3 GLU 65 -13.064 -7.215 -5.414 502 HG2 GLU 65 HG2 GLU 65 -14.582 -8.794 -4.596 503 HG3 GLU 65 HG3 GLU 65 -15.808 -7.556 -4.264 504 H GLN 66 H GLN 66 -11.705 -8.122 -3.412 505 HA GLN 66 HA GLN 66 -13.169 -10.075 -1.890 506 HB2 GLN 66 HB2 GLN 66 -10.360 -10.003 -3.047 507 HB3 GLN 66 HB3 GLN 66 -11.045 -11.429 -2.256 508 HG2 GLN 66 HG2 GLN 66 -12.190 -10.063 -4.733 509 HG3 GLN 66 HG3 GLN 66 -11.262 -11.548 -4.711 510 HE21 GLN 66 HE21 GLN 66 -13.624 -11.664 -5.972 511 HE22 GLN 66 HE22 GLN 66 -14.693 -12.701 -5.031 512 H TYR 67 H TYR 67 -11.739 -7.547 -0.614 513 HA TYR 67 HA TYR 67 -11.319 -8.919 2.001 514 HB2 TYR 67 HB2 TYR 67 -9.789 -6.527 0.954 515 HB3 TYR 67 HB3 TYR 67 -9.666 -7.205 2.577 516 HD1 TYR 67 HD2 TYR 67 -8.686 -9.482 2.945 517 HD2 TYR 67 HD1 TYR 67 -8.757 -7.666 -0.960 518 HE1 TYR 67 HE2 TYR 67 -7.030 -11.153 2.126 519 HE2 TYR 67 HE1 TYR 67 -7.066 -9.310 -1.769 520 HH TYR 67 HH TYR 67 -5.807 -11.102 -1.256 521 H ASN 68 H ASN 68 -13.691 -8.571 1.441 522 HA ASN 68 HA ASN 68 -15.682 -7.830 1.969 523 HB2 ASN 68 HB2 ASN 68 -14.457 -8.051 4.234 524 HB3 ASN 68 HB3 ASN 68 -14.502 -6.288 4.278 525 HD21 ASN 68 HD21 ASN 68 -15.785 -6.680 6.267 526 HD22 ASN 68 HD22 ASN 68 -17.489 -7.132 6.108 527 H ARG 69 H ARG 69 -14.446 -6.223 -0.015 528 HA ARG 69 HA ARG 69 -14.691 -4.346 -1.226 529 HB2 ARG 69 HB2 ARG 69 -17.370 -4.043 0.131 530 HB3 ARG 69 HB3 ARG 69 -16.876 -3.385 -1.429 531 HG2 ARG 69 HG2 ARG 69 -16.584 -5.723 -2.302 532 HG3 ARG 69 HG3 ARG 69 -17.167 -6.342 -0.748 533 HD2 ARG 69 HD2 ARG 69 -19.046 -6.374 -2.189 534 HD3 ARG 69 HD3 ARG 69 -19.293 -5.021 -1.085 535 HE ARG 69 HE ARG 69 -18.967 -3.492 -2.828 536 HH11 ARG 69 HH11 ARG 69 -18.487 -6.811 -4.046 537 HH12 ARG 69 HH12 ARG 69 -18.568 -6.315 -5.722 538 HH21 ARG 69 HH21 ARG 69 -19.057 -2.901 -5.016 539 HH22 ARG 69 HH22 ARG 69 -18.874 -4.109 -6.267 540 H LEU 70 H LEU 70 -13.549 -3.910 1.593 541 HA LEU 70 HA LEU 70 -14.613 -1.591 2.694 542 HB2 LEU 70 HB2 LEU 70 -13.274 -3.395 3.733 543 HB3 LEU 70 HB3 LEU 70 -11.814 -2.737 3.041 544 HG LEU 70 HG LEU 70 -12.300 -2.373 5.494 545 HD11 LEU 70 HD11 LEU 70 -11.753 0.198 3.991 546 HD12 LEU 70 HD12 LEU 70 -10.573 -1.081 4.332 547 HD13 LEU 70 HD13 LEU 70 -11.329 -0.201 5.664 548 HD21 LEU 70 HD21 LEU 70 -13.731 -0.587 6.230 549 HD22 LEU 70 HD22 LEU 70 -14.689 -1.731 5.284 550 HD23 LEU 70 HD23 LEU 70 -14.188 -0.181 4.566 551 H ALA 71 H ALA 71 -12.290 -1.728 0.134 552 HA ALA 71 HA ALA 71 -11.304 -0.209 -1.223 553 HB1 ALA 71 HB1 ALA 71 -12.256 1.924 -1.611 554 HB2 ALA 71 HB2 ALA 71 -13.574 0.789 -1.291 555 HB3 ALA 71 HB3 ALA 71 -13.065 1.938 -0.036 556 H MET 72 H MET 72 -10.088 2.109 -1.172 557 HA MET 72 HA MET 72 -8.753 2.632 1.381 558 HB2 MET 72 HB2 MET 72 -7.475 0.736 0.738 559 HB3 MET 72 HB3 MET 72 -7.336 1.277 -0.938 560 HG2 MET 72 HG2 MET 72 -5.801 2.996 -0.379 561 HG3 MET 72 HG3 MET 72 -6.121 2.846 1.358 562 HE1 MET 72 HE1 MET 72 -2.365 1.593 0.057 563 HE2 MET 72 HE2 MET 72 -3.476 2.465 -1.009 564 HE3 MET 72 HE3 MET 72 -3.211 3.044 0.655 565 HA PRO 73 HA PRO 73 -8.160 6.527 -0.950 566 HB2 PRO 73 HB2 PRO 73 -7.499 8.163 1.097 567 HB3 PRO 73 HB3 PRO 73 -9.149 7.478 0.955 568 HG2 PRO 73 HG2 PRO 73 -6.841 6.459 2.649 569 HG3 PRO 73 HG3 PRO 73 -8.529 6.779 3.165 570 HD2 PRO 73 HD2 PRO 73 -7.605 4.292 2.429 571 HD3 PRO 73 HD3 PRO 73 -9.296 4.813 2.158 572 H ASN 74 H ASN 74 -6.369 7.910 -1.569 573 HA ASN 74 HA ASN 74 -3.652 6.859 -1.266 574 HB2 ASN 74 HB2 ASN 74 -4.451 7.986 -3.365 575 HB3 ASN 74 HB3 ASN 74 -4.750 9.443 -2.473 576 HD21 ASN 74 HD21 ASN 74 -1.950 7.112 -3.032 577 HD22 ASN 74 HD22 ASN 74 -0.855 8.445 -3.315 578 H MET 75 H MET 75 -5.597 9.231 0.460 579 HA MET 75 HA MET 75 -5.216 10.759 2.026 580 HB2 MET 75 HB2 MET 75 -2.635 9.340 2.764 581 HB3 MET 75 HB3 MET 75 -3.534 10.514 3.722 582 HG2 MET 75 HG2 MET 75 -4.457 7.733 2.908 583 HG3 MET 75 HG3 MET 75 -3.899 8.220 4.501 584 HE1 MET 75 HE1 MET 75 -5.352 10.992 5.090 585 HE2 MET 75 HE2 MET 75 -6.804 10.376 5.908 586 HE3 MET 75 HE3 MET 75 -5.225 9.612 6.207 587 H ARG 76 H ARG 76 -1.748 10.555 1.505 588 HA ARG 76 HA ARG 76 -1.720 12.826 -0.381 589 HB2 ARG 76 HB2 ARG 76 -0.326 12.921 2.325 590 HB3 ARG 76 HB3 ARG 76 0.017 14.024 0.991 591 HG2 ARG 76 HG2 ARG 76 -2.331 14.824 1.015 592 HG3 ARG 76 HG3 ARG 76 -2.663 13.773 2.402 593 HD2 ARG 76 HD2 ARG 76 -2.279 16.033 3.181 594 HD3 ARG 76 HD3 ARG 76 -0.998 14.972 3.753 595 HE ARG 76 HE ARG 76 0.562 16.019 2.372 596 HH11 ARG 76 HH11 ARG 76 -2.655 17.469 1.823 597 HH12 ARG 76 HH12 ARG 76 -1.995 18.843 0.965 598 HH21 ARG 76 HH21 ARG 76 1.363 17.831 1.297 599 HH22 ARG 76 HH22 ARG 76 0.278 19.062 0.695 600 H LEU 77 H LEU 77 -1.025 9.923 -0.485 601 HA LEU 77 HA LEU 77 1.890 9.745 -0.567 602 HB2 LEU 77 HB2 LEU 77 -0.416 7.869 -0.918 603 HB3 LEU 77 HB3 LEU 77 1.088 7.411 -1.657 604 HG LEU 77 HG LEU 77 0.592 6.476 0.595 605 HD11 LEU 77 HD11 LEU 77 2.802 6.321 -0.313 606 HD12 LEU 77 HD12 LEU 77 2.921 6.678 1.415 607 HD13 LEU 77 HD13 LEU 77 3.198 7.964 0.225 608 HD21 LEU 77 HD21 LEU 77 -0.221 8.522 1.733 609 HD22 LEU 77 HD22 LEU 77 1.419 9.213 1.648 610 HD23 LEU 77 HD23 LEU 77 1.117 7.749 2.601 611 H GLY 78 H GLY 78 2.162 11.549 -1.990 612 HA2 GLY 78 HA2 GLY 78 2.203 10.884 -4.889 613 HA3 GLY 78 HA3 GLY 78 2.833 12.349 -4.131 614 H ASP 79 H ASP 79 4.507 11.338 -5.866 615 HA ASP 79 HA ASP 79 6.070 9.106 -5.548 616 HB2 ASP 79 HB2 ASP 79 6.699 11.896 -6.568 617 HB3 ASP 79 HB3 ASP 79 7.933 10.644 -6.552 618 H ALA 80 H ALA 80 6.705 12.175 -3.770 619 HA ALA 80 HA ALA 80 9.199 11.230 -2.656 620 HB1 ALA 80 HB1 ALA 80 8.753 13.588 -3.148 621 HB2 ALA 80 HB2 ALA 80 7.458 13.618 -1.930 622 HB3 ALA 80 HB3 ALA 80 9.140 13.365 -1.431 623 H GLU 81 H GLU 81 5.908 10.855 -1.553 624 HA GLU 81 HA GLU 81 6.803 9.916 1.154 625 HB2 GLU 81 HB2 GLU 81 4.012 10.134 -0.009 626 HB3 GLU 81 HB3 GLU 81 4.409 9.627 1.632 627 HG2 GLU 81 HG2 GLU 81 4.876 12.390 0.466 628 HG3 GLU 81 HG3 GLU 81 3.517 11.925 1.477 629 H VAL 82 H VAL 82 5.431 8.781 -1.950 630 HA VAL 82 HA VAL 82 4.955 6.059 -1.204 631 HB VAL 82 HB VAL 82 5.494 7.393 -3.879 632 HG11 VAL 82 HG11 VAL 82 6.161 5.063 -4.192 633 HG12 VAL 82 HG12 VAL 82 4.689 4.498 -3.367 634 HG13 VAL 82 HG13 VAL 82 4.586 5.323 -4.938 635 HG21 VAL 82 HG21 VAL 82 2.952 6.148 -2.741 636 HG22 VAL 82 HG22 VAL 82 3.331 7.876 -2.647 637 HG23 VAL 82 HG23 VAL 82 3.113 7.112 -4.222 638 H SER 83 H SER 83 7.848 7.524 -2.776 639 HA SER 83 HA SER 83 9.434 5.158 -2.801 640 HB2 SER 83 HB2 SER 83 11.373 6.803 -2.794 641 HB3 SER 83 HB3 SER 83 10.175 6.986 -4.087 642 HG SER 83 HG SER 83 9.403 8.778 -3.208 643 H ALA 84 H ALA 84 8.744 7.356 -0.107 644 HA ALA 84 HA ALA 84 10.724 6.151 1.659 645 HB1 ALA 84 HB1 ALA 84 8.387 8.001 2.220 646 HB2 ALA 84 HB2 ALA 84 9.632 7.511 3.393 647 HB3 ALA 84 HB3 ALA 84 10.079 8.470 1.976 648 H LEU 85 H LEU 85 7.167 5.640 1.174 649 HA LEU 85 HA LEU 85 6.997 3.599 3.225 650 HB2 LEU 85 HB2 LEU 85 5.299 4.590 0.959 651 HB3 LEU 85 HB3 LEU 85 5.024 2.931 1.430 652 HG LEU 85 HG LEU 85 3.480 4.460 2.515 653 HD11 LEU 85 HD11 LEU 85 3.593 3.581 4.746 654 HD12 LEU 85 HD12 LEU 85 5.323 3.233 4.602 655 HD13 LEU 85 HD13 LEU 85 4.155 2.316 3.631 656 HD21 LEU 85 HD21 LEU 85 4.140 5.961 4.289 657 HD22 LEU 85 HD22 LEU 85 4.960 6.428 2.785 658 HD23 LEU 85 HD23 LEU 85 5.857 5.573 4.055 659 H ILE 86 H ILE 86 7.980 3.496 -0.116 660 HA ILE 86 HA ILE 86 8.100 0.571 -0.353 661 HB ILE 86 HB ILE 86 8.692 2.942 -2.069 662 HG12 ILE 86 HG12 ILE 86 7.383 1.724 -3.678 663 HG13 ILE 86 HG13 ILE 86 7.452 0.239 -2.729 664 HG21 ILE 86 HG21 ILE 86 9.751 1.523 -3.802 665 HG22 ILE 86 HG22 ILE 86 10.788 1.782 -2.400 666 HG23 ILE 86 HG23 ILE 86 9.939 0.226 -2.608 667 HD11 ILE 86 HD11 ILE 86 5.936 2.755 -1.923 668 HD12 ILE 86 HD12 ILE 86 5.230 1.303 -2.637 669 HD13 ILE 86 HD13 ILE 86 5.955 1.213 -1.030 670 H SER 87 H SER 87 10.306 3.163 0.605 671 HA SER 87 HA SER 87 12.596 1.412 1.054 672 HB2 SER 87 HB2 SER 87 11.944 4.140 2.208 673 HB3 SER 87 HB3 SER 87 13.493 3.284 2.346 674 HG SER 87 HG SER 87 12.229 4.353 0.041 675 H TYR 88 H TYR 88 9.951 2.664 3.216 676 HA TYR 88 HA TYR 88 10.849 1.453 5.524 677 HB2 TYR 88 HB2 TYR 88 8.891 2.937 5.436 678 HB3 TYR 88 HB3 TYR 88 7.961 1.723 4.597 679 HD1 TYR 88 HD1 TYR 88 10.230 1.188 7.555 680 HD2 TYR 88 HD2 TYR 88 6.165 1.375 6.112 681 HE1 TYR 88 HE1 TYR 88 9.453 0.078 9.601 682 HE2 TYR 88 HE2 TYR 88 5.386 0.293 8.226 683 HH TYR 88 HH TYR 88 7.730 -1.037 10.573 684 H LEU 89 H LEU 89 8.632 -0.158 3.161 685 HA LEU 89 HA LEU 89 8.442 -2.535 4.725 686 HB2 LEU 89 HB2 LEU 89 7.694 -1.763 1.914 687 HB3 LEU 89 HB3 LEU 89 7.785 -3.471 2.323 688 HG LEU 89 HG LEU 89 6.196 -3.209 4.162 689 HD11 LEU 89 HD11 LEU 89 6.524 -0.850 4.768 690 HD12 LEU 89 HD12 LEU 89 4.832 -1.168 4.373 691 HD13 LEU 89 HD13 LEU 89 5.876 -0.340 3.191 692 HD21 LEU 89 HD21 LEU 89 5.429 -3.817 1.911 693 HD22 LEU 89 HD22 LEU 89 5.206 -2.101 1.501 694 HD23 LEU 89 HD23 LEU 89 4.201 -2.869 2.763 695 H GLU 90 H GLU 90 10.637 -1.920 1.905 696 HA GLU 90 HA GLU 90 11.837 -4.535 2.084 697 HB2 GLU 90 HB2 GLU 90 12.507 -1.948 0.704 698 HB3 GLU 90 HB3 GLU 90 13.761 -3.175 0.812 699 HG2 GLU 90 HG2 GLU 90 11.001 -3.804 -0.303 700 HG3 GLU 90 HG3 GLU 90 12.332 -3.200 -1.294 701 H GLU 91 H GLU 91 12.570 -1.546 3.877 702 HA GLU 91 HA GLU 91 15.041 -2.713 4.980 703 HB2 GLU 91 HB2 GLU 91 13.518 -0.178 5.656 704 HB3 GLU 91 HB3 GLU 91 15.007 -0.720 6.449 705 HG2 GLU 91 HG2 GLU 91 16.195 -0.743 4.283 706 HG3 GLU 91 HG3 GLU 91 14.755 -0.176 3.457 707 H GLU 92 H GLU 92 11.660 -2.310 6.177 708 HA GLU 92 HA GLU 92 12.209 -3.500 8.751 709 HB2 GLU 92 HB2 GLU 92 10.170 -2.095 8.002 710 HB3 GLU 92 HB3 GLU 92 9.573 -3.570 7.245 711 HG2 GLU 92 HG2 GLU 92 8.486 -3.578 9.291 712 HG3 GLU 92 HG3 GLU 92 9.850 -4.633 9.638 713 H THR 93 H THR 93 11.246 -4.880 5.592 714 HA THR 93 HA THR 93 10.909 -7.606 6.330 715 HB THR 93 HB THR 93 12.123 -6.519 3.753 716 HG1 THR 93 HG1 THR 93 10.064 -5.713 4.073 717 HG21 THR 93 HG21 THR 93 11.232 -8.597 2.737 718 HG22 THR 93 HG22 THR 93 10.746 -9.176 4.351 719 HG23 THR 93 HG23 THR 93 12.462 -8.944 3.951 720 H ALA 94 H ALA 94 13.934 -5.821 5.659 721 HA ALA 94 HA ALA 94 15.645 -8.131 5.810 722 HB1 ALA 94 HB1 ALA 94 16.224 -5.160 6.061 723 HB2 ALA 94 HB2 ALA 94 17.452 -6.433 5.890 724 HB3 ALA 94 HB3 ALA 94 16.285 -6.147 4.588 725 H ARG 95 H ARG 95 14.069 -6.414 8.377 726 HA ARG 95 HA ARG 95 15.878 -7.735 10.376 727 HB2 ARG 95 HB2 ARG 95 13.871 -5.488 10.681 728 HB3 ARG 95 HB3 ARG 95 14.457 -6.457 12.039 729 HG2 ARG 95 HG2 ARG 95 15.907 -4.633 12.061 730 HG3 ARG 95 HG3 ARG 95 16.832 -5.913 11.290 731 HD2 ARG 95 HD2 ARG 95 15.835 -4.722 9.058 732 HD3 ARG 95 HD3 ARG 95 15.736 -3.355 10.161 733 HE ARG 95 HE ARG 95 18.278 -4.297 10.554 734 HH11 ARG 95 HH11 ARG 95 16.513 -3.337 7.602 735 HH12 ARG 95 HH12 ARG 95 17.977 -2.899 6.751 736 HH21 ARG 95 HH21 ARG 95 20.145 -3.726 9.396 737 HH22 ARG 95 HH22 ARG 95 20.020 -3.113 7.763 738 H LEU 96 H LEU 96 12.478 -7.513 9.399 739 HA LEU 96 HA LEU 96 10.716 -8.860 9.509 740 HB2 LEU 96 HB2 LEU 96 12.643 -10.479 8.693 741 HB3 LEU 96 HB3 LEU 96 12.384 -11.268 10.199 742 HG LEU 96 HG LEU 96 11.301 -12.464 8.523 743 HD11 LEU 96 HD11 LEU 96 10.089 -12.095 10.671 744 HD12 LEU 96 HD12 LEU 96 9.061 -12.559 9.292 745 HD13 LEU 96 HD13 LEU 96 9.108 -10.862 9.825 746 HD21 LEU 96 HD21 LEU 96 11.243 -10.680 6.878 747 HD22 LEU 96 HD22 LEU 96 9.909 -9.887 7.739 748 HD23 LEU 96 HD23 LEU 96 9.663 -11.491 6.997 749 H GLN 97 H GLN 97 12.850 -9.472 12.275 750 HA GLN 97 HA GLN 97 10.702 -10.115 14.136 751 HB2 GLN 97 HB2 GLN 97 13.683 -9.633 14.498 752 HB3 GLN 97 HB3 GLN 97 12.599 -10.203 15.772 753 HG2 GLN 97 HG2 GLN 97 12.132 -12.268 14.577 754 HG3 GLN 97 HG3 GLN 97 13.001 -11.709 13.151 755 HE21 GLN 97 HE21 GLN 97 15.075 -12.485 12.938 756 HE22 GLN 97 HE22 GLN 97 16.076 -12.954 14.311 757 H THR 98 H THR 98 10.667 -7.402 12.814 758 HA THR 98 HA THR 98 10.542 -5.648 15.242 759 HB THR 98 HB THR 98 11.194 -3.778 13.681 760 HG1 THR 98 HG1 THR 98 11.489 -4.209 11.693 761 HG21 THR 98 HG21 THR 98 12.853 -4.762 15.196 762 HG22 THR 98 HG22 THR 98 13.581 -4.293 13.650 763 HG23 THR 98 HG23 THR 98 13.245 -6.004 13.992 764 HA PRO 99 HA PRO 99 6.501 -5.533 12.731 765 HB2 PRO 99 HB2 PRO 99 4.766 -7.077 14.122 766 HB3 PRO 99 HB3 PRO 99 6.043 -7.824 13.117 767 HG2 PRO 99 HG2 PRO 99 6.217 -7.196 16.103 768 HG3 PRO 99 HG3 PRO 99 6.415 -8.792 15.316 769 HD2 PRO 99 HD2 PRO 99 8.569 -7.251 15.825 770 HD3 PRO 99 HD3 PRO 99 8.430 -8.166 14.290 771 H VAL 100 H VAL 100 7.707 -3.896 14.996 772 HA VAL 100 HA VAL 100 5.554 -3.428 16.936 773 HB VAL 100 HB VAL 100 8.460 -2.588 16.770 774 HG11 VAL 100 HG11 VAL 100 6.489 -2.094 19.056 775 HG12 VAL 100 HG12 VAL 100 8.238 -1.794 19.091 776 HG13 VAL 100 HG13 VAL 100 7.214 -0.831 18.033 777 HG21 VAL 100 HG21 VAL 100 6.986 -4.538 18.587 778 HG22 VAL 100 HG22 VAL 100 8.097 -4.971 17.271 779 HG23 VAL 100 HG23 VAL 100 8.707 -4.121 18.690 780 H THR 101 H THR 101 4.157 -1.896 16.824 781 HA THR 101 HA THR 101 4.584 0.577 15.192 782 HB THR 101 HB THR 101 2.281 0.214 14.248 783 HG1 THR 101 HG1 THR 101 1.216 -1.301 15.160 784 HG21 THR 101 HG21 THR 101 2.940 -1.352 12.528 785 HG22 THR 101 HG22 THR 101 4.261 -1.984 13.532 786 HG23 THR 101 HG23 THR 101 4.320 -0.315 12.930 787 H ASN 102 H ASN 102 3.135 -0.803 18.032 788 HA ASN 102 HA ASN 102 2.027 0.000 19.772 789 HB2 ASN 102 HB2 ASN 102 4.052 1.562 19.502 790 HB3 ASN 102 HB3 ASN 102 2.910 2.786 18.968 791 HD21 ASN 102 HD21 ASN 102 4.113 3.769 20.919 792 HD22 ASN 102 HD22 ASN 102 3.411 3.449 22.512 793 H ARG 103 H ARG 103 0.480 1.799 20.635 794 HA ARG 103 HA ARG 103 -1.704 2.513 18.739 795 HB2 ARG 103 HB2 ARG 103 -2.235 0.382 19.926 796 HB3 ARG 103 HB3 ARG 103 -2.098 1.227 21.474 797 HG2 ARG 103 HG2 ARG 103 -3.971 2.720 20.827 798 HG3 ARG 103 HG3 ARG 103 -4.091 1.911 19.258 799 HD2 ARG 103 HD2 ARG 103 -4.478 0.566 21.970 800 HD3 ARG 103 HD3 ARG 103 -5.790 1.152 20.933 801 HE ARG 103 HE ARG 103 -4.292 -0.545 19.318 802 HH11 ARG 103 HH11 ARG 103 -6.125 -0.907 22.356 803 HH12 ARG 103 HH12 ARG 103 -6.498 -2.590 22.050 804 HH21 ARG 103 HH21 ARG 103 -4.808 -2.726 18.962 805 HH22 ARG 103 HH22 ARG 103 -5.759 -3.614 20.131 806 H GLY 104 H GLY 104 -2.735 4.509 19.258 807 HA2 GLY 104 HA2 GLY 104 -3.245 6.265 20.862 808 HA3 GLY 104 HA3 GLY 104 -1.682 6.029 21.623 809 H ILE 105 H ILE 105 -1.628 8.375 21.405 810 HA ILE 105 HA ILE 105 -1.351 10.415 20.467 811 HB ILE 105 HB ILE 105 0.259 9.078 18.280 812 HG12 ILE 105 HG12 ILE 105 1.199 8.443 20.452 813 HG13 ILE 105 HG13 ILE 105 2.246 9.548 19.586 814 HG21 ILE 105 HG21 ILE 105 -0.252 11.359 17.656 815 HG22 ILE 105 HG22 ILE 105 0.133 11.961 19.274 816 HG23 ILE 105 HG23 ILE 105 1.412 11.319 18.218 817 HD11 ILE 105 HD11 ILE 105 2.176 10.070 21.973 818 HD12 ILE 105 HD12 ILE 105 1.539 11.425 21.037 819 HD13 ILE 105 HD13 ILE 105 0.425 10.337 21.900 820 HA PRO 106 HA PRO 106 -4.879 9.598 17.598 821 HB2 PRO 106 HB2 PRO 106 -6.888 10.804 18.975 822 HB3 PRO 106 HB3 PRO 106 -6.282 9.158 19.319 823 HG2 PRO 106 HG2 PRO 106 -5.574 11.733 20.727 824 HG3 PRO 106 HG3 PRO 106 -6.023 10.165 21.451 825 HD2 PRO 106 HD2 PRO 106 -3.416 10.966 21.143 826 HD3 PRO 106 HD3 PRO 106 -3.918 9.253 21.038 827 HHA HEC 107 HHA HEC 107 -4.524 -3.721 -0.145 828 HHB HEC 107 HHB HEC 107 0.464 0.017 1.507 829 HHC HEC 107 HHC HEC 107 -3.662 3.892 4.672 830 HHD HEC 107 HHD HEC 107 -8.252 -0.588 4.080 831 HMA1 HEC 107 HMA1 HEC 107 0.829 -1.457 -0.891 832 HMA2 HEC 107 HMA2 HEC 107 1.237 -2.107 0.719 833 HMA3 HEC 107 HMA3 HEC 107 0.734 -3.195 -0.564 834 HAA1 HEC 107 HAA1 HEC 107 -1.039 -4.722 -0.279 835 HAA2 HEC 107 HAA2 HEC 107 -2.732 -4.755 -0.662 836 HBA1 HEC 107 HBA1 HEC 107 -2.364 -3.714 -2.826 837 HBA2 HEC 107 HBA2 HEC 107 -0.639 -3.498 -2.472 838 HMB1 HEC 107 HMB1 HEC 107 1.482 1.970 1.866 839 HMB2 HEC 107 HMB2 HEC 107 1.332 3.491 2.724 840 HMB3 HEC 107 HMB3 HEC 107 1.628 2.006 3.637 841 HAB HEC 107 HAB HEC 107 -1.841 4.817 4.644 842 HBB1 HEC 107 HBB1 HEC 107 -1.823 5.373 2.255 843 HBB2 HEC 107 HBB2 HEC 107 -0.920 6.498 3.288 844 HBB3 HEC 107 HBB3 HEC 107 -0.045 5.299 2.311 845 HMC1 HEC 107 HMC1 HEC 107 -5.561 4.063 6.596 846 HMC2 HEC 107 HMC2 HEC 107 -5.853 4.836 5.018 847 HMC3 HEC 107 HMC3 HEC 107 -7.207 4.245 5.969 848 HAC HEC 107 HAC HEC 107 -8.505 0.528 5.924 849 HBC1 HEC 107 HBC1 HEC 107 -9.185 3.412 5.277 850 HBC2 HEC 107 HBC2 HEC 107 -9.620 1.983 4.321 851 HBC3 HEC 107 HBC3 HEC 107 -10.276 2.199 5.951 852 HMD1 HEC 107 HMD1 HEC 107 -9.036 -2.890 3.725 853 HMD2 HEC 107 HMD2 HEC 107 -9.638 -2.121 2.233 854 HMD3 HEC 107 HMD3 HEC 107 -9.227 -3.846 2.262 855 HAD1 HEC 107 HAD1 HEC 107 -8.160 -4.476 0.363 856 HAD2 HEC 107 HAD2 HEC 107 -6.593 -4.446 -0.389 857 HBD1 HEC 107 HBD1 HEC 107 -7.299 -5.754 2.256 858 HBD2 HEC 107 HBD2 HEC 107 -6.816 -6.541 0.753 Start of MODEL 20 1 H SER 1 H SER 1 14.564 4.640 7.887 2 HA SER 1 HA SER 1 13.141 5.254 5.815 3 HB2 SER 1 HB2 SER 1 12.934 2.734 5.312 4 HB3 SER 1 HB3 SER 1 14.528 3.443 5.600 5 HG SER 1 HG SER 1 14.397 1.544 6.776 6 H GLY 2 H GLY 2 11.233 6.230 5.856 7 HA2 GLY 2 HA2 GLY 2 9.007 6.434 5.451 8 HA3 GLY 2 HA3 GLY 2 8.858 4.724 5.420 9 H GLU 3 H GLU 3 9.994 5.242 8.484 10 HA GLU 3 HA GLU 3 7.616 4.137 9.470 11 HB2 GLU 3 HB2 GLU 3 9.833 3.675 10.341 12 HB3 GLU 3 HB3 GLU 3 9.978 5.318 10.981 13 HG2 GLU 3 HG2 GLU 3 8.233 4.920 12.608 14 HG3 GLU 3 HG3 GLU 3 7.769 3.403 11.823 15 H GLN 4 H GLN 4 8.781 7.500 10.103 16 HA GLN 4 HA GLN 4 6.582 8.272 11.752 17 HB2 GLN 4 HB2 GLN 4 8.686 9.530 11.597 18 HB3 GLN 4 HB3 GLN 4 8.395 9.858 9.890 19 HG2 GLN 4 HG2 GLN 4 7.923 11.829 11.169 20 HG3 GLN 4 HG3 GLN 4 6.425 11.249 10.469 21 HE21 GLN 4 HE21 GLN 4 5.425 12.667 12.120 22 HE22 GLN 4 HE22 GLN 4 5.286 12.104 13.781 23 H ILE 5 H ILE 5 6.905 8.129 8.212 24 HA ILE 5 HA ILE 5 4.452 9.580 7.632 25 HB ILE 5 HB ILE 5 5.892 7.563 5.848 26 HG12 ILE 5 HG12 ILE 5 6.386 10.570 6.090 27 HG13 ILE 5 HG13 ILE 5 7.494 9.296 6.604 28 HG21 ILE 5 HG21 ILE 5 3.554 8.237 5.172 29 HG22 ILE 5 HG22 ILE 5 4.064 9.932 5.181 30 HG23 ILE 5 HG23 ILE 5 4.765 8.776 4.023 31 HD11 ILE 5 HD11 ILE 5 6.723 9.980 3.765 32 HD12 ILE 5 HD12 ILE 5 8.319 10.015 4.531 33 HD13 ILE 5 HD13 ILE 5 7.529 8.457 4.219 34 H PHE 6 H PHE 6 5.302 6.072 7.916 35 HA PHE 6 HA PHE 6 2.656 5.152 7.393 36 HB2 PHE 6 HB2 PHE 6 4.726 3.735 7.406 37 HB3 PHE 6 HB3 PHE 6 4.724 3.802 9.165 38 HD1 PHE 6 HD1 PHE 6 2.901 2.605 6.157 39 HD2 PHE 6 HD2 PHE 6 3.085 2.491 10.463 40 HE1 PHE 6 HE1 PHE 6 1.243 0.756 6.182 41 HE2 PHE 6 HE2 PHE 6 1.417 0.650 10.482 42 HZ PHE 6 HZ PHE 6 0.495 -0.219 8.347 43 H ARG 7 H ARG 7 4.210 5.925 10.583 44 HA ARG 7 HA ARG 7 1.866 5.306 12.102 45 HB2 ARG 7 HB2 ARG 7 4.146 5.389 12.964 46 HB3 ARG 7 HB3 ARG 7 4.172 7.151 12.801 47 HG2 ARG 7 HG2 ARG 7 2.528 7.445 14.501 48 HG3 ARG 7 HG3 ARG 7 2.019 5.756 14.441 49 HD2 ARG 7 HD2 ARG 7 4.769 6.670 15.379 50 HD3 ARG 7 HD3 ARG 7 3.401 6.396 16.463 51 HE ARG 7 HE ARG 7 5.081 4.395 15.191 52 HH11 ARG 7 HH11 ARG 7 1.852 4.892 16.643 53 HH12 ARG 7 HH12 ARG 7 1.633 3.188 16.970 54 HH21 ARG 7 HH21 ARG 7 4.734 2.200 15.640 55 HH22 ARG 7 HH22 ARG 7 3.252 1.677 16.407 56 H THR 8 H THR 8 2.654 8.255 10.316 57 HA THR 8 HA THR 8 0.384 9.664 11.613 58 HB THR 8 HB THR 8 1.101 11.640 10.248 59 HG1 THR 8 HG1 THR 8 3.449 10.132 9.831 60 HG21 THR 8 HG21 THR 8 3.049 12.158 11.633 61 HG22 THR 8 HG22 THR 8 3.214 10.446 12.094 62 HG23 THR 8 HG23 THR 8 1.788 11.377 12.598 63 H ARG 9 H ARG 9 0.940 8.101 8.528 64 HA ARG 9 HA ARG 9 -1.684 9.219 7.577 65 HB2 ARG 9 HB2 ARG 9 0.591 8.030 5.961 66 HB3 ARG 9 HB3 ARG 9 -0.865 8.784 5.327 67 HG2 ARG 9 HG2 ARG 9 1.364 10.188 6.860 68 HG3 ARG 9 HG3 ARG 9 1.061 10.257 5.126 69 HD2 ARG 9 HD2 ARG 9 -1.143 11.338 5.554 70 HD3 ARG 9 HD3 ARG 9 -0.800 11.306 7.295 71 HE ARG 9 HE ARG 9 1.159 12.620 5.509 72 HH11 ARG 9 HH11 ARG 9 -1.444 13.082 7.912 73 HH12 ARG 9 HH12 ARG 9 -0.996 14.745 8.216 74 HH21 ARG 9 HH21 ARG 9 1.696 14.764 5.943 75 HH22 ARG 9 HH22 ARG 9 0.774 15.695 7.103 76 H CYS 10 H CYS 10 -0.069 6.141 8.228 77 HA CYS 10 HA CYS 10 -2.275 4.673 6.830 78 HB2 CYS 10 HB2 CYS 10 0.682 4.096 6.677 79 HB3 CYS 10 HB3 CYS 10 -0.595 3.237 5.823 80 H SER 11 H SER 11 -1.232 5.022 9.863 81 HA SER 11 HA SER 11 -0.730 2.210 10.578 82 HB2 SER 11 HB2 SER 11 0.565 3.816 11.648 83 HB3 SER 11 HB3 SER 11 -0.820 4.852 12.041 84 HG SER 11 HG SER 11 -0.247 2.293 13.162 85 H SER 12 H SER 12 -3.539 4.334 10.587 86 HA SER 12 HA SER 12 -4.951 3.258 12.717 87 HB2 SER 12 HB2 SER 12 -6.270 4.309 10.211 88 HB3 SER 12 HB3 SER 12 -6.845 4.424 11.884 89 HG SER 12 HG SER 12 -5.744 6.276 10.744 90 H CYS 13 H CYS 13 -4.580 1.624 9.665 91 HA CYS 13 HA CYS 13 -6.846 -0.220 10.355 92 HB2 CYS 13 HB2 CYS 13 -6.018 0.589 7.570 93 HB3 CYS 13 HB3 CYS 13 -7.426 -0.354 8.039 94 H HIS 14 H HIS 14 -3.510 -0.254 9.980 95 HA HIS 14 HA HIS 14 -3.351 -3.111 9.779 96 HB2 HIS 14 2HB HIS 14 -1.651 -2.774 7.661 97 HB3 HIS 14 3HB HIS 14 -3.326 -3.283 7.552 98 HD1 HIS 14 1HD HIS 14 -2.198 0.444 7.879 99 HD2 HIS 14 2HD HIS 14 -3.884 -2.419 5.317 100 HE1 HIS 14 1HE HIS 14 -2.998 1.739 5.902 101 H THR 15 H THR 15 -1.121 -3.859 9.572 102 HA THR 15 HA THR 15 1.014 -1.954 10.352 103 HB THR 15 HB THR 15 2.024 -3.331 11.952 104 HG1 THR 15 HG1 THR 15 0.042 -5.253 11.320 105 HG21 THR 15 HG21 THR 15 0.079 -1.960 12.761 106 HG22 THR 15 HG22 THR 15 0.567 -3.302 13.792 107 HG23 THR 15 HG23 THR 15 -0.887 -3.454 12.774 108 H VAL 16 H VAL 16 3.216 -3.144 10.084 109 HA VAL 16 HA VAL 16 3.130 -4.869 7.623 110 HB VAL 16 HB VAL 16 5.346 -2.961 8.403 111 HG11 VAL 16 HG11 VAL 16 5.939 -4.836 6.843 112 HG12 VAL 16 HG12 VAL 16 4.606 -4.338 5.771 113 HG13 VAL 16 HG13 VAL 16 5.984 -3.257 6.054 114 HG21 VAL 16 HG21 VAL 16 3.424 -1.565 8.011 115 HG22 VAL 16 HG22 VAL 16 4.295 -1.589 6.473 116 HG23 VAL 16 HG23 VAL 16 2.823 -2.576 6.713 117 H GLY 17 H GLY 17 2.620 -6.440 9.202 118 HA2 GLY 17 HA2 GLY 17 3.149 -8.395 10.334 119 HA3 GLY 17 HA3 GLY 17 4.857 -8.102 10.013 120 H ASN 18 H ASN 18 3.216 -5.518 11.706 121 HA ASN 18 HA ASN 18 5.110 -6.069 13.917 122 HB2 ASN 18 HB2 ASN 18 5.055 -3.971 12.355 123 HB3 ASN 18 HB3 ASN 18 3.742 -3.429 13.387 124 HD21 ASN 18 HD21 ASN 18 4.387 -2.258 15.199 125 HD22 ASN 18 HD22 ASN 18 6.022 -2.320 15.865 126 H THR 19 H THR 19 1.625 -5.609 13.513 127 HA THR 19 HA THR 19 -0.133 -5.519 14.911 128 HB THR 19 HB THR 19 1.590 -7.151 16.794 129 HG1 THR 19 HG1 THR 19 1.307 -8.244 14.960 130 HG21 THR 19 HG21 THR 19 -0.341 -6.337 18.067 131 HG22 THR 19 HG22 THR 19 -0.563 -8.030 17.645 132 HG23 THR 19 HG23 THR 19 -1.438 -6.785 16.730 133 H GLU 20 H GLU 20 -1.137 -4.490 16.861 134 HA GLU 20 HA GLU 20 0.508 -2.235 17.883 135 HB2 GLU 20 HB2 GLU 20 -0.692 -1.747 15.628 136 HB3 GLU 20 HB3 GLU 20 -2.185 -1.864 16.541 137 HG2 GLU 20 HG2 GLU 20 -1.702 0.433 16.377 138 HG3 GLU 20 HG3 GLU 20 -1.363 -0.009 18.047 139 HA PRO 21 HA PRO 21 -2.427 -2.779 21.357 140 HB2 PRO 21 HB2 PRO 21 -1.641 -0.696 22.929 141 HB3 PRO 21 HB3 PRO 21 -0.714 -2.221 22.784 142 HG2 PRO 21 HG2 PRO 21 -0.215 0.395 21.343 143 HG3 PRO 21 HG3 PRO 21 0.971 -0.657 22.180 144 HD2 PRO 21 HD2 PRO 21 0.559 -0.730 19.476 145 HD3 PRO 21 HD3 PRO 21 1.013 -2.182 20.407 146 H GLY 22 H GLY 22 -4.145 -2.401 20.017 147 HA2 GLY 22 HA2 GLY 22 -5.738 -0.023 20.270 148 HA3 GLY 22 HA3 GLY 22 -4.905 -0.037 18.709 149 H GLN 23 H GLN 23 -6.087 -0.945 17.116 150 HA GLN 23 HA GLN 23 -6.929 -3.680 17.488 151 HB2 GLN 23 HB2 GLN 23 -9.009 -2.430 18.198 152 HB3 GLN 23 HB3 GLN 23 -9.139 -1.830 16.549 153 HG2 GLN 23 HG2 GLN 23 -9.215 -4.223 15.751 154 HG3 GLN 23 HG3 GLN 23 -9.120 -4.749 17.435 155 HE21 GLN 23 HE21 GLN 23 -11.162 -5.902 16.736 156 HE22 GLN 23 HE22 GLN 23 -12.676 -5.005 16.899 157 HA PRO 24 HA PRO 24 -5.237 -3.265 13.217 158 HB2 PRO 24 HB2 PRO 24 -4.249 -5.907 14.263 159 HB3 PRO 24 HB3 PRO 24 -3.420 -4.742 13.176 160 HG2 PRO 24 HG2 PRO 24 -2.723 -4.896 15.769 161 HG3 PRO 24 HG3 PRO 24 -2.962 -3.284 15.005 162 HD2 PRO 24 HD2 PRO 24 -4.927 -4.872 16.704 163 HD3 PRO 24 HD3 PRO 24 -4.438 -3.157 16.866 164 H GLY 25 H GLY 25 -5.520 -5.136 11.538 165 HA2 GLY 25 HA2 GLY 25 -6.687 -6.914 10.642 166 HA3 GLY 25 HA3 GLY 25 -7.650 -7.069 12.106 167 H ILE 26 H ILE 26 -7.719 -3.863 10.860 168 HA ILE 26 HA ILE 26 -10.396 -4.099 9.668 169 HB ILE 26 HB ILE 26 -8.385 -1.827 9.675 170 HG12 ILE 26 HG12 ILE 26 -10.979 -2.222 11.237 171 HG13 ILE 26 HG13 ILE 26 -9.360 -2.426 11.899 172 HG21 ILE 26 HG21 ILE 26 -11.287 -1.800 8.708 173 HG22 ILE 26 HG22 ILE 26 -10.215 -0.392 8.809 174 HG23 ILE 26 HG23 ILE 26 -9.859 -1.667 7.667 175 HD11 ILE 26 HD11 ILE 26 -8.876 -0.017 11.416 176 HD12 ILE 26 HD12 ILE 26 -10.580 0.189 10.946 177 HD13 ILE 26 HD13 ILE 26 -10.170 -0.289 12.597 178 H GLY 27 H GLY 27 -7.030 -3.784 8.520 179 HA2 GLY 27 HA2 GLY 27 -7.782 -5.305 6.075 180 HA3 GLY 27 HA3 GLY 27 -6.628 -3.968 5.991 181 HA PRO 28 HA PRO 28 -4.548 -8.116 7.071 182 HB2 PRO 28 HB2 PRO 28 -3.156 -8.557 4.762 183 HB3 PRO 28 HB3 PRO 28 -4.873 -9.031 4.943 184 HG2 PRO 28 HG2 PRO 28 -3.776 -6.470 3.714 185 HG3 PRO 28 HG3 PRO 28 -4.943 -7.612 2.985 186 HD2 PRO 28 HD2 PRO 28 -5.789 -5.391 4.276 187 HD3 PRO 28 HD3 PRO 28 -6.673 -6.930 4.480 188 H ASP 29 H ASP 29 -2.243 -8.374 7.516 189 HA ASP 29 HA ASP 29 -0.858 -5.802 7.780 190 HB2 ASP 29 HB2 ASP 29 -0.038 -8.602 8.598 191 HB3 ASP 29 HB3 ASP 29 0.973 -7.173 8.797 192 H LEU 30 H LEU 30 0.713 -5.040 6.586 193 HA LEU 30 HA LEU 30 0.697 -5.990 3.861 194 HB2 LEU 30 HB2 LEU 30 2.159 -3.555 4.896 195 HB3 LEU 30 HB3 LEU 30 1.520 -3.820 3.287 196 HG LEU 30 HG LEU 30 -0.159 -3.424 5.809 197 HD11 LEU 30 HD11 LEU 30 -0.689 -1.233 4.841 198 HD12 LEU 30 HD12 LEU 30 0.390 -1.559 3.457 199 HD13 LEU 30 HD13 LEU 30 1.053 -1.399 5.096 200 HD21 LEU 30 HD21 LEU 30 -0.938 -3.602 2.853 201 HD22 LEU 30 HD22 LEU 30 -2.043 -3.189 4.184 202 HD23 LEU 30 HD23 LEU 30 -1.333 -4.796 4.105 203 H LEU 31 H LEU 31 2.455 -7.521 5.747 204 HA LEU 31 HA LEU 31 5.180 -6.982 4.812 205 HB2 LEU 31 HB2 LEU 31 6.021 -8.225 6.421 206 HB3 LEU 31 HB3 LEU 31 4.629 -7.529 7.155 207 HG LEU 31 HG LEU 31 4.824 -9.765 7.899 208 HD11 LEU 31 HD11 LEU 31 2.647 -10.682 7.288 209 HD12 LEU 31 HD12 LEU 31 2.595 -9.637 5.845 210 HD13 LEU 31 HD13 LEU 31 2.548 -8.914 7.462 211 HD21 LEU 31 HD21 LEU 31 4.510 -10.890 5.112 212 HD22 LEU 31 HD22 LEU 31 5.098 -11.673 6.579 213 HD23 LEU 31 HD23 LEU 31 6.106 -10.456 5.744 214 H GLY 32 H GLY 32 6.457 -8.255 3.483 215 HA2 GLY 32 HA2 GLY 32 6.936 -9.801 1.814 216 HA3 GLY 32 HA3 GLY 32 5.526 -10.721 2.329 217 H VAL 33 H VAL 33 3.934 -7.967 1.518 218 HA VAL 33 HA VAL 33 3.077 -8.847 -0.998 219 HB VAL 33 HB VAL 33 1.963 -6.757 -1.212 220 HG11 VAL 33 HG11 VAL 33 1.941 -7.519 1.731 221 HG12 VAL 33 HG12 VAL 33 0.651 -6.734 0.807 222 HG13 VAL 33 HG13 VAL 33 1.096 -8.403 0.439 223 HG21 VAL 33 HG21 VAL 33 2.249 -4.910 0.454 224 HG22 VAL 33 HG22 VAL 33 3.728 -5.710 1.024 225 HG23 VAL 33 HG23 VAL 33 3.622 -5.112 -0.639 226 H THR 34 H THR 34 5.880 -6.994 -0.218 227 HA THR 34 HA THR 34 6.709 -5.826 -2.662 228 HB THR 34 HB THR 34 8.988 -6.010 -1.528 229 HG1 THR 34 HG1 THR 34 9.179 -7.283 0.163 230 HG21 THR 34 HG21 THR 34 7.456 -4.148 -0.967 231 HG22 THR 34 HG22 THR 34 8.497 -4.652 0.374 232 HG23 THR 34 HG23 THR 34 6.788 -5.125 0.366 233 H ARG 35 H ARG 35 6.862 -9.173 -1.544 234 HA ARG 35 HA ARG 35 8.199 -9.997 -4.086 235 HB2 ARG 35 HB2 ARG 35 8.787 -12.095 -2.928 236 HB3 ARG 35 HB3 ARG 35 9.537 -10.640 -2.275 237 HG2 ARG 35 HG2 ARG 35 7.990 -10.615 -0.388 238 HG3 ARG 35 HG3 ARG 35 7.116 -12.021 -1.043 239 HD2 ARG 35 HD2 ARG 35 9.096 -13.425 -0.739 240 HD3 ARG 35 HD3 ARG 35 10.058 -12.016 -0.266 241 HE ARG 35 HE ARG 35 9.134 -12.017 1.835 242 HH11 ARG 35 HH11 ARG 35 7.294 -14.356 -0.139 243 HH12 ARG 35 HH12 ARG 35 6.441 -14.997 1.248 244 HH21 ARG 35 HH21 ARG 35 8.006 -12.868 3.579 245 HH22 ARG 35 HH22 ARG 35 6.843 -14.153 3.352 246 H GLN 36 H GLN 36 5.229 -10.354 -2.291 247 HA GLN 36 HA GLN 36 4.306 -12.609 -3.926 248 HB2 GLN 36 HB2 GLN 36 2.914 -10.954 -1.792 249 HB3 GLN 36 HB3 GLN 36 2.240 -12.368 -2.576 250 HG2 GLN 36 HG2 GLN 36 4.672 -12.318 -0.753 251 HG3 GLN 36 HG3 GLN 36 3.090 -12.994 -0.404 252 HE21 GLN 36 HE21 GLN 36 2.370 -14.824 -2.001 253 HE22 GLN 36 HE22 GLN 36 3.659 -15.940 -2.456 254 H ARG 37 H ARG 37 4.088 -9.160 -4.330 255 HA ARG 37 HA ARG 37 2.141 -9.554 -6.587 256 HB2 ARG 37 HB2 ARG 37 2.526 -7.155 -4.753 257 HB3 ARG 37 HB3 ARG 37 1.739 -7.056 -6.315 258 HG2 ARG 37 HG2 ARG 37 0.025 -7.187 -4.737 259 HG3 ARG 37 HG3 ARG 37 0.039 -8.720 -5.600 260 HD2 ARG 37 HD2 ARG 37 1.016 -9.852 -3.670 261 HD3 ARG 37 HD3 ARG 37 1.331 -8.305 -2.870 262 HE ARG 37 HE ARG 37 -0.837 -8.218 -2.153 263 HH11 ARG 37 HH11 ARG 37 -0.670 -10.767 -4.643 264 HH12 ARG 37 HH12 ARG 37 -2.311 -11.298 -4.349 265 HH21 ARG 37 HH21 ARG 37 -2.939 -8.925 -1.813 266 HH22 ARG 37 HH22 ARG 37 -3.596 -10.255 -2.739 267 H ASP 38 H ASP 38 2.523 -7.766 -8.327 268 HA ASP 38 HA ASP 38 5.268 -7.978 -9.263 269 HB2 ASP 38 HB2 ASP 38 2.941 -7.759 -10.575 270 HB3 ASP 38 HB3 ASP 38 3.291 -6.049 -10.470 271 H ALA 39 H ALA 39 6.933 -6.626 -8.954 272 HA ALA 39 HA ALA 39 6.803 -5.046 -6.679 273 HB1 ALA 39 HB1 ALA 39 8.770 -6.229 -7.499 274 HB2 ALA 39 HB2 ALA 39 8.920 -5.102 -8.868 275 HB3 ALA 39 HB3 ALA 39 9.160 -4.525 -7.202 276 H ASN 40 H ASN 40 6.783 -3.859 -10.058 277 HA ASN 40 HA ASN 40 6.778 -1.052 -9.179 278 HB2 ASN 40 HB2 ASN 40 6.572 -2.390 -11.905 279 HB3 ASN 40 HB3 ASN 40 6.466 -0.649 -11.657 280 HD21 ASN 40 HD21 ASN 40 8.677 -3.436 -11.379 281 HD22 ASN 40 HD22 ASN 40 10.119 -2.440 -11.337 282 H TRP 41 H TRP 41 4.254 -3.395 -10.199 283 HA TRP 41 HA TRP 41 2.077 -1.549 -10.402 284 HB2 TRP 41 HB2 TRP 41 1.867 -3.860 -11.138 285 HB3 TRP 41 HB3 TRP 41 2.235 -4.442 -9.514 286 HD1 TRP 41 HD1 TRP 41 -0.650 -3.022 -11.538 287 HE1 TRP 41 HE1 TRP 41 -2.835 -3.263 -10.216 288 HE3 TRP 41 HE3 TRP 41 1.285 -4.708 -7.108 289 HZ2 TRP 41 HZ2 TRP 41 -3.574 -3.695 -7.438 290 HZ3 TRP 41 HZ3 TRP 41 -0.166 -4.864 -5.086 291 HH2 TRP 41 HH2 TRP 41 -2.568 -4.323 -5.242 292 H LEU 42 H LEU 42 3.451 -3.269 -7.580 293 HA LEU 42 HA LEU 42 1.607 -2.533 -5.614 294 HB2 LEU 42 HB2 LEU 42 3.401 -4.177 -5.318 295 HB3 LEU 42 HB3 LEU 42 4.625 -2.923 -5.498 296 HG LEU 42 HG LEU 42 3.888 -1.871 -3.370 297 HD11 LEU 42 HD11 LEU 42 1.537 -2.612 -3.289 298 HD12 LEU 42 HD12 LEU 42 2.408 -3.138 -1.844 299 HD13 LEU 42 HD13 LEU 42 2.062 -4.306 -3.139 300 HD21 LEU 42 HD21 LEU 42 4.833 -3.572 -1.910 301 HD22 LEU 42 HD22 LEU 42 5.709 -3.537 -3.444 302 HD23 LEU 42 HD23 LEU 42 4.530 -4.832 -3.140 303 H VAL 43 H VAL 43 4.346 -0.628 -6.837 304 HA VAL 43 HA VAL 43 4.038 1.523 -4.935 305 HB VAL 43 HB VAL 43 5.455 1.667 -7.608 306 HG11 VAL 43 HG11 VAL 43 5.923 3.128 -4.975 307 HG12 VAL 43 HG12 VAL 43 6.858 3.341 -6.469 308 HG13 VAL 43 HG13 VAL 43 5.167 3.837 -6.423 309 HG21 VAL 43 HG21 VAL 43 6.467 0.560 -4.953 310 HG22 VAL 43 HG22 VAL 43 6.419 -0.244 -6.527 311 HG23 VAL 43 HG23 VAL 43 7.533 1.090 -6.268 312 H ARG 44 H ARG 44 2.800 1.033 -8.287 313 HA ARG 44 HA ARG 44 1.559 3.644 -8.426 314 HB2 ARG 44 HB2 ARG 44 2.105 2.119 -10.359 315 HB3 ARG 44 HB3 ARG 44 0.709 1.125 -9.902 316 HG2 ARG 44 HG2 ARG 44 -0.772 3.118 -10.173 317 HG3 ARG 44 HG3 ARG 44 0.640 4.105 -10.594 318 HD2 ARG 44 HD2 ARG 44 1.067 2.655 -12.559 319 HD3 ARG 44 HD3 ARG 44 -0.341 1.668 -12.127 320 HE ARG 44 HE ARG 44 -0.707 4.579 -12.569 321 HH11 ARG 44 HH11 ARG 44 -1.238 1.279 -13.824 322 HH12 ARG 44 HH12 ARG 44 -2.430 1.810 -14.988 323 HH21 ARG 44 HH21 ARG 44 -2.251 5.211 -14.091 324 HH22 ARG 44 HH22 ARG 44 -3.001 4.028 -15.138 325 H TRP 45 H TRP 45 0.368 0.430 -7.386 326 HA TRP 45 HA TRP 45 -2.317 1.139 -6.804 327 HB2 TRP 45 HB2 TRP 45 -1.731 -1.156 -6.869 328 HB3 TRP 45 HB3 TRP 45 -0.433 -0.953 -5.702 329 HD1 TRP 45 HD1 TRP 45 -0.970 -1.989 -3.517 330 HE1 TRP 45 HE1 TRP 45 -3.031 -2.313 -2.009 331 HE3 TRP 45 HE3 TRP 45 -4.498 0.342 -6.412 332 HZ2 TRP 45 HZ2 TRP 45 -5.839 -1.655 -2.054 333 HZ3 TRP 45 HZ3 TRP 45 -6.844 0.524 -5.624 334 HH2 TRP 45 HH2 TRP 45 -7.526 -0.483 -3.461 335 H LEU 46 H LEU 46 0.446 1.089 -4.450 336 HA LEU 46 HA LEU 46 -1.291 2.339 -2.496 337 HB2 LEU 46 HB2 LEU 46 0.030 1.502 -1.023 338 HB3 LEU 46 HB3 LEU 46 0.912 0.719 -2.320 339 HG LEU 46 HG LEU 46 1.702 3.378 -1.049 340 HD11 LEU 46 HD11 LEU 46 3.492 2.039 -0.003 341 HD12 LEU 46 HD12 LEU 46 2.809 0.558 -0.705 342 HD13 LEU 46 HD13 LEU 46 1.899 1.477 0.515 343 HD21 LEU 46 HD21 LEU 46 3.850 2.952 -2.183 344 HD22 LEU 46 HD22 LEU 46 2.557 3.116 -3.374 345 HD23 LEU 46 HD23 LEU 46 3.165 1.503 -2.951 346 H LYS 47 H LYS 47 0.466 3.717 -5.021 347 HA LYS 47 HA LYS 47 0.677 6.406 -3.878 348 HB2 LYS 47 HB2 LYS 47 2.235 5.635 -5.576 349 HB3 LYS 47 HB3 LYS 47 0.913 5.290 -6.697 350 HG2 LYS 47 HG2 LYS 47 0.393 7.773 -6.713 351 HG3 LYS 47 HG3 LYS 47 1.875 8.028 -5.783 352 HD2 LYS 47 HD2 LYS 47 1.642 6.709 -8.529 353 HD3 LYS 47 HD3 LYS 47 2.146 8.376 -8.238 354 HE2 LYS 47 HE2 LYS 47 4.154 7.640 -7.070 355 HE3 LYS 47 HE3 LYS 47 3.645 5.946 -7.152 356 HZ1 LYS 47 HZ1 LYS 47 5.258 6.582 -8.894 357 HZ2 LYS 47 HZ2 LYS 47 4.155 7.613 -9.553 358 HZ3 LYS 47 HZ3 LYS 47 3.878 5.997 -9.527 359 H VAL 48 H VAL 48 -1.789 4.691 -5.900 360 HA VAL 48 HA VAL 48 -3.568 7.023 -5.461 361 HB VAL 48 HB VAL 48 -2.042 7.519 -7.357 362 HG11 VAL 48 HG11 VAL 48 -2.043 5.276 -8.482 363 HG12 VAL 48 HG12 VAL 48 -3.653 5.661 -9.110 364 HG13 VAL 48 HG13 VAL 48 -2.280 6.687 -9.526 365 HG21 VAL 48 HG21 VAL 48 -5.018 7.605 -7.717 366 HG22 VAL 48 HG22 VAL 48 -3.956 8.822 -7.012 367 HG23 VAL 48 HG23 VAL 48 -3.864 8.492 -8.750 368 HA PRO 49 HA PRO 49 -5.485 2.743 -5.620 369 HB2 PRO 49 HB2 PRO 49 -6.994 2.836 -3.304 370 HB3 PRO 49 HB3 PRO 49 -5.274 2.352 -3.390 371 HG2 PRO 49 HG2 PRO 49 -6.397 5.096 -2.747 372 HG3 PRO 49 HG3 PRO 49 -5.169 4.162 -1.826 373 HD2 PRO 49 HD2 PRO 49 -4.399 6.061 -3.564 374 HD3 PRO 49 HD3 PRO 49 -3.524 4.501 -3.521 375 H ASP 50 H ASP 50 -7.232 5.857 -5.031 376 HA ASP 50 HA ASP 50 -9.792 4.735 -5.883 377 HB2 ASP 50 HB2 ASP 50 -9.625 6.686 -4.355 378 HB3 ASP 50 HB3 ASP 50 -8.953 7.647 -5.671 379 H GLN 51 H GLN 51 -7.187 6.614 -7.530 380 HA GLN 51 HA GLN 51 -8.623 6.765 -10.040 381 HB2 GLN 51 HB2 GLN 51 -6.603 8.166 -9.297 382 HB3 GLN 51 HB3 GLN 51 -5.610 6.772 -9.775 383 HG2 GLN 51 HG2 GLN 51 -6.681 6.942 -12.071 384 HG3 GLN 51 HG3 GLN 51 -7.445 8.442 -11.535 385 HE21 GLN 51 HE21 GLN 51 -5.792 10.223 -10.726 386 HE22 GLN 51 HE22 GLN 51 -4.317 10.292 -11.672 387 H MET 52 H MET 52 -6.345 4.343 -8.685 388 HA MET 52 HA MET 52 -6.195 2.573 -10.911 389 HB2 MET 52 HB2 MET 52 -5.930 2.310 -7.899 390 HB3 MET 52 HB3 MET 52 -5.728 0.908 -8.954 391 HG2 MET 52 HG2 MET 52 -4.155 3.479 -9.279 392 HG3 MET 52 HG3 MET 52 -3.639 2.167 -8.228 393 HE1 MET 52 HE1 MET 52 -3.950 -0.472 -9.449 394 HE2 MET 52 HE2 MET 52 -2.504 -0.642 -10.480 395 HE3 MET 52 HE3 MET 52 -2.380 0.150 -8.897 396 H LEU 53 H LEU 53 -8.578 2.588 -8.158 397 HA LEU 53 HA LEU 53 -10.075 0.364 -9.303 398 HB2 LEU 53 HB2 LEU 53 -10.717 2.400 -7.151 399 HB3 LEU 53 HB3 LEU 53 -11.837 1.127 -7.625 400 HG LEU 53 HG LEU 53 -9.026 0.549 -6.648 401 HD11 LEU 53 HD11 LEU 53 -10.056 -0.001 -4.469 402 HD12 LEU 53 HD12 LEU 53 -11.640 0.527 -5.078 403 HD13 LEU 53 HD13 LEU 53 -10.316 1.700 -4.882 404 HD21 LEU 53 HD21 LEU 53 -9.906 -1.343 -7.845 405 HD22 LEU 53 HD22 LEU 53 -11.431 -1.272 -6.933 406 HD23 LEU 53 HD23 LEU 53 -9.914 -1.700 -6.125 407 H ALA 54 H ALA 54 -10.271 3.887 -9.771 408 HA ALA 54 HA ALA 54 -12.734 3.807 -11.293 409 HB1 ALA 54 HB1 ALA 54 -11.898 5.871 -10.256 410 HB2 ALA 54 HB2 ALA 54 -10.447 5.823 -11.278 411 HB3 ALA 54 HB3 ALA 54 -12.043 6.063 -12.004 412 H GLU 55 H GLU 55 -9.308 3.483 -12.181 413 HA GLU 55 HA GLU 55 -9.683 3.126 -15.037 414 HB2 GLU 55 HB2 GLU 55 -7.582 3.842 -14.083 415 HB3 GLU 55 HB3 GLU 55 -7.459 2.404 -13.076 416 HG2 GLU 55 HG2 GLU 55 -7.043 0.981 -14.938 417 HG3 GLU 55 HG3 GLU 55 -7.517 2.214 -16.100 418 H LYS 56 H LYS 56 -10.302 1.126 -12.316 419 HA LYS 56 HA LYS 56 -10.590 -1.050 -11.900 420 HB2 LYS 56 HB2 LYS 56 -11.662 -1.209 -14.741 421 HB3 LYS 56 HB3 LYS 56 -11.845 -2.442 -13.484 422 HG2 LYS 56 HG2 LYS 56 -12.911 -0.654 -12.019 423 HG3 LYS 56 HG3 LYS 56 -12.955 0.398 -13.438 424 HD2 LYS 56 HD2 LYS 56 -14.446 -1.182 -14.593 425 HD3 LYS 56 HD3 LYS 56 -14.281 -2.346 -13.256 426 HE2 LYS 56 HE2 LYS 56 -15.162 -0.540 -11.705 427 HE3 LYS 56 HE3 LYS 56 -15.539 0.435 -13.131 428 HZ1 LYS 56 HZ1 LYS 56 -16.615 -2.266 -12.540 429 HZ2 LYS 56 HZ2 LYS 56 -17.071 -1.325 -13.838 430 HZ3 LYS 56 HZ3 LYS 56 -17.410 -0.895 -12.260 431 H ASP 57 H ASP 57 -8.179 -0.606 -11.942 432 HA ASP 57 HA ASP 57 -6.518 -2.305 -13.630 433 HB2 ASP 57 HB2 ASP 57 -5.582 -0.304 -12.505 434 HB3 ASP 57 HB3 ASP 57 -5.873 -1.062 -10.932 435 HA PRO 58 HA PRO 58 -8.898 -5.265 -11.887 436 HB2 PRO 58 HB2 PRO 58 -8.137 -7.493 -13.261 437 HB3 PRO 58 HB3 PRO 58 -8.818 -5.971 -13.968 438 HG2 PRO 58 HG2 PRO 58 -5.853 -6.579 -13.739 439 HG3 PRO 58 HG3 PRO 58 -6.790 -6.337 -15.267 440 HD2 PRO 58 HD2 PRO 58 -5.555 -4.325 -14.025 441 HD3 PRO 58 HD3 PRO 58 -7.231 -4.098 -14.611 442 H LEU 59 H LEU 59 -5.489 -5.899 -11.419 443 HA LEU 59 HA LEU 59 -5.647 -7.945 -9.392 444 HB2 LEU 59 HB2 LEU 59 -3.593 -6.953 -10.644 445 HB3 LEU 59 HB3 LEU 59 -3.624 -5.679 -9.454 446 HG LEU 59 HG LEU 59 -1.942 -7.184 -8.851 447 HD11 LEU 59 HD11 LEU 59 -2.417 -8.058 -6.694 448 HD12 LEU 59 HD12 LEU 59 -4.150 -8.158 -7.028 449 HD13 LEU 59 HD13 LEU 59 -3.360 -6.572 -6.879 450 HD21 LEU 59 HD21 LEU 59 -3.901 -9.487 -9.126 451 HD22 LEU 59 HD22 LEU 59 -2.211 -9.613 -8.596 452 HD23 LEU 59 HD23 LEU 59 -2.583 -9.064 -10.243 453 H ALA 60 H ALA 60 -5.894 -4.333 -9.150 454 HA ALA 60 HA ALA 60 -6.167 -4.395 -6.250 455 HB1 ALA 60 HB1 ALA 60 -6.935 -2.111 -6.494 456 HB2 ALA 60 HB2 ALA 60 -5.403 -2.365 -7.357 457 HB3 ALA 60 HB3 ALA 60 -6.937 -2.260 -8.262 458 H MET 61 H MET 61 -8.431 -4.236 -9.004 459 HA MET 61 HA MET 61 -10.890 -4.137 -7.597 460 HB2 MET 61 HB2 MET 61 -10.244 -5.569 -10.194 461 HB3 MET 61 HB3 MET 61 -11.848 -5.153 -9.636 462 HG2 MET 61 HG2 MET 61 -9.672 -3.106 -10.213 463 HG3 MET 61 HG3 MET 61 -10.876 -3.624 -11.379 464 HE1 MET 61 HE1 MET 61 -14.151 -2.207 -10.162 465 HE2 MET 61 HE2 MET 61 -13.255 -3.388 -11.179 466 HE3 MET 61 HE3 MET 61 -13.590 -3.749 -9.468 467 H LEU 62 H LEU 62 -8.759 -6.943 -8.205 468 HA LEU 62 HA LEU 62 -10.564 -8.937 -7.165 469 HB2 LEU 62 HB2 LEU 62 -8.736 -9.283 -8.849 470 HB3 LEU 62 HB3 LEU 62 -7.578 -8.830 -7.588 471 HG LEU 62 HG LEU 62 -8.242 -10.774 -6.259 472 HD11 LEU 62 HD11 LEU 62 -9.880 -11.608 -8.695 473 HD12 LEU 62 HD12 LEU 62 -10.560 -11.145 -7.127 474 HD13 LEU 62 HD13 LEU 62 -9.569 -12.604 -7.265 475 HD21 LEU 62 HD21 LEU 62 -6.342 -10.909 -7.809 476 HD22 LEU 62 HD22 LEU 62 -7.426 -11.431 -9.117 477 HD23 LEU 62 HD23 LEU 62 -7.165 -12.474 -7.699 478 H LEU 63 H LEU 63 -7.744 -7.048 -5.820 479 HA LEU 63 HA LEU 63 -7.752 -8.735 -3.423 480 HB2 LEU 63 HB2 LEU 63 -5.808 -7.811 -2.847 481 HB3 LEU 63 HB3 LEU 63 -5.773 -7.597 -4.579 482 HG LEU 63 HG LEU 63 -6.728 -5.168 -4.010 483 HD11 LEU 63 HD11 LEU 63 -7.010 -5.604 -1.549 484 HD12 LEU 63 HD12 LEU 63 -5.853 -4.309 -1.869 485 HD13 LEU 63 HD13 LEU 63 -5.283 -5.943 -1.428 486 HD21 LEU 63 HD21 LEU 63 -3.858 -5.985 -3.411 487 HD22 LEU 63 HD22 LEU 63 -4.433 -4.349 -3.835 488 HD23 LEU 63 HD23 LEU 63 -4.545 -5.664 -5.017 489 H PHE 64 H PHE 64 -9.153 -5.641 -4.291 490 HA PHE 64 HA PHE 64 -9.543 -4.896 -1.522 491 HB2 PHE 64 HB2 PHE 64 -10.103 -2.902 -2.219 492 HB3 PHE 64 HB3 PHE 64 -9.531 -3.424 -3.774 493 HD1 PHE 64 HD1 PHE 64 -11.385 -4.463 -5.387 494 HD2 PHE 64 HD2 PHE 64 -12.221 -1.989 -1.971 495 HE1 PHE 64 HE1 PHE 64 -13.594 -3.874 -6.365 496 HE2 PHE 64 HE2 PHE 64 -14.417 -1.374 -2.945 497 HZ PHE 64 HZ PHE 64 -15.114 -2.304 -5.140 498 H GLU 65 H GLU 65 -11.799 -6.431 -3.840 499 HA GLU 65 HA GLU 65 -13.955 -6.488 -1.948 500 HB2 GLU 65 HB2 GLU 65 -15.134 -7.824 -3.494 501 HB3 GLU 65 HB3 GLU 65 -14.241 -6.601 -4.381 502 HG2 GLU 65 HG2 GLU 65 -13.591 -8.281 -5.722 503 HG3 GLU 65 HG3 GLU 65 -12.440 -8.691 -4.458 504 H GLN 66 H GLN 66 -11.119 -8.464 -2.092 505 HA GLN 66 HA GLN 66 -12.286 -10.605 -0.474 506 HB2 GLN 66 HB2 GLN 66 -10.356 -10.992 -2.051 507 HB3 GLN 66 HB3 GLN 66 -9.391 -9.850 -1.133 508 HG2 GLN 66 HG2 GLN 66 -8.646 -11.995 -0.522 509 HG3 GLN 66 HG3 GLN 66 -9.523 -11.383 0.866 510 HE21 GLN 66 HE21 GLN 66 -9.197 -13.967 1.056 511 HE22 GLN 66 HE22 GLN 66 -10.591 -14.889 0.488 512 H TYR 67 H TYR 67 -10.310 -7.732 0.082 513 HA TYR 67 HA TYR 67 -10.400 -8.119 3.014 514 HB2 TYR 67 HB2 TYR 67 -8.887 -6.229 1.227 515 HB3 TYR 67 HB3 TYR 67 -8.764 -6.257 2.996 516 HD1 TYR 67 HD1 TYR 67 -8.420 -8.822 3.945 517 HD2 TYR 67 HD2 TYR 67 -7.148 -7.341 0.101 518 HE1 TYR 67 HE1 TYR 67 -6.740 -10.639 3.801 519 HE2 TYR 67 HE2 TYR 67 -5.450 -9.155 -0.035 520 HH TYR 67 HH TYR 67 -5.059 -11.570 2.596 521 H ASN 68 H ASN 68 -12.748 -7.970 2.528 522 HA ASN 68 HA ASN 68 -14.724 -7.041 2.953 523 HB2 ASN 68 HB2 ASN 68 -13.258 -6.736 5.068 524 HB3 ASN 68 HB3 ASN 68 -13.256 -5.027 4.663 525 HD21 ASN 68 HD21 ASN 68 -14.303 -4.872 6.811 526 HD22 ASN 68 HD22 ASN 68 -16.059 -5.032 6.834 527 H ARG 69 H ARG 69 -13.496 -5.919 0.549 528 HA ARG 69 HA ARG 69 -13.569 -4.188 -0.916 529 HB2 ARG 69 HB2 ARG 69 -15.741 -3.677 -1.706 530 HB3 ARG 69 HB3 ARG 69 -15.660 -5.362 -1.223 531 HG2 ARG 69 HG2 ARG 69 -16.942 -4.928 0.802 532 HG3 ARG 69 HG3 ARG 69 -16.923 -3.180 0.491 533 HD2 ARG 69 HD2 ARG 69 -18.150 -3.561 -1.636 534 HD3 ARG 69 HD3 ARG 69 -18.209 -5.300 -1.282 535 HE ARG 69 HE ARG 69 -19.285 -4.044 0.958 536 HH11 ARG 69 HH11 ARG 69 -20.112 -4.188 -2.509 537 HH12 ARG 69 HH12 ARG 69 -21.821 -3.946 -2.219 538 HH21 ARG 69 HH21 ARG 69 -21.508 -3.732 1.287 539 HH22 ARG 69 HH22 ARG 69 -22.609 -3.689 -0.071 540 H LEU 70 H LEU 70 -12.679 -3.090 1.601 541 HA LEU 70 HA LEU 70 -14.205 -0.915 2.475 542 HB2 LEU 70 HB2 LEU 70 -12.425 -2.166 3.669 543 HB3 LEU 70 HB3 LEU 70 -11.201 -1.317 2.728 544 HG LEU 70 HG LEU 70 -13.193 0.271 4.385 545 HD11 LEU 70 HD11 LEU 70 -10.683 -1.021 5.472 546 HD12 LEU 70 HD12 LEU 70 -12.351 -1.448 5.903 547 HD13 LEU 70 HD13 LEU 70 -11.719 0.150 6.317 548 HD21 LEU 70 HD21 LEU 70 -11.582 1.538 2.936 549 HD22 LEU 70 HD22 LEU 70 -10.235 0.695 3.712 550 HD23 LEU 70 HD23 LEU 70 -11.273 1.804 4.642 551 H ALA 71 H ALA 71 -11.529 -0.848 0.145 552 HA ALA 71 HA ALA 71 -10.765 0.615 -1.338 553 HB1 ALA 71 HB1 ALA 71 -12.815 0.421 -2.463 554 HB2 ALA 71 HB2 ALA 71 -13.635 1.528 -1.358 555 HB3 ALA 71 HB3 ALA 71 -12.397 2.137 -2.484 556 H MET 72 H MET 72 -9.403 1.232 0.393 557 HA MET 72 HA MET 72 -9.613 3.642 1.862 558 HB2 MET 72 HB2 MET 72 -7.260 3.326 2.303 559 HB3 MET 72 HB3 MET 72 -8.026 1.740 2.265 560 HG2 MET 72 HG2 MET 72 -7.255 1.556 -0.172 561 HG3 MET 72 HG3 MET 72 -6.358 3.053 0.079 562 HE1 MET 72 HE1 MET 72 -3.476 0.564 -0.219 563 HE2 MET 72 HE2 MET 72 -4.980 0.748 -1.143 564 HE3 MET 72 HE3 MET 72 -4.074 2.186 -0.625 565 HA PRO 73 HA PRO 73 -8.258 6.654 -1.251 566 HB2 PRO 73 HB2 PRO 73 -7.838 8.826 0.267 567 HB3 PRO 73 HB3 PRO 73 -9.451 8.054 0.222 568 HG2 PRO 73 HG2 PRO 73 -7.268 7.690 2.305 569 HG3 PRO 73 HG3 PRO 73 -9.001 8.068 2.575 570 HD2 PRO 73 HD2 PRO 73 -7.958 5.505 2.651 571 HD3 PRO 73 HD3 PRO 73 -9.641 5.868 2.166 572 H ASN 74 H ASN 74 -6.459 7.996 -1.946 573 HA ASN 74 HA ASN 74 -3.716 7.268 -1.414 574 HB2 ASN 74 HB2 ASN 74 -4.192 8.358 -3.495 575 HB3 ASN 74 HB3 ASN 74 -5.189 9.580 -2.746 576 HD21 ASN 74 HD21 ASN 74 -1.877 8.747 -3.561 577 HD22 ASN 74 HD22 ASN 74 -1.209 10.283 -3.064 578 H MET 75 H MET 75 -5.935 9.454 0.158 579 HA MET 75 HA MET 75 -5.897 10.775 1.940 580 HB2 MET 75 HB2 MET 75 -5.087 8.893 3.207 581 HB3 MET 75 HB3 MET 75 -3.416 9.244 2.788 582 HG2 MET 75 HG2 MET 75 -3.996 9.955 5.072 583 HG3 MET 75 HG3 MET 75 -3.410 11.265 4.066 584 HE1 MET 75 HE1 MET 75 -7.777 10.739 5.545 585 HE2 MET 75 HE2 MET 75 -7.067 9.605 4.380 586 HE3 MET 75 HE3 MET 75 -6.406 9.725 6.030 587 H ARG 76 H ARG 76 -2.351 10.773 1.514 588 HA ARG 76 HA ARG 76 -2.430 13.595 0.580 589 HB2 ARG 76 HB2 ARG 76 -1.287 12.733 3.271 590 HB3 ARG 76 HB3 ARG 76 -0.866 14.257 2.491 591 HG2 ARG 76 HG2 ARG 76 -3.233 14.968 2.493 592 HG3 ARG 76 HG3 ARG 76 -3.678 13.468 3.318 593 HD2 ARG 76 HD2 ARG 76 -3.551 15.212 4.943 594 HD3 ARG 76 HD3 ARG 76 -2.231 14.070 5.231 595 HE ARG 76 HE ARG 76 -1.037 15.942 3.658 596 HH11 ARG 76 HH11 ARG 76 -2.969 16.289 6.639 597 HH12 ARG 76 HH12 ARG 76 -2.125 17.738 7.138 598 HH21 ARG 76 HH21 ARG 76 0.030 17.817 4.349 599 HH22 ARG 76 HH22 ARG 76 -0.432 18.601 5.843 600 H LEU 77 H LEU 77 -1.222 10.800 -0.288 601 HA LEU 77 HA LEU 77 1.660 11.330 0.028 602 HB2 LEU 77 HB2 LEU 77 0.196 8.972 -1.197 603 HB3 LEU 77 HB3 LEU 77 1.929 9.085 -0.921 604 HG LEU 77 HG LEU 77 -0.205 9.027 1.250 605 HD11 LEU 77 HD11 LEU 77 0.130 6.874 0.136 606 HD12 LEU 77 HD12 LEU 77 0.869 6.831 1.753 607 HD13 LEU 77 HD13 LEU 77 1.889 7.015 0.312 608 HD21 LEU 77 HD21 LEU 77 1.688 8.796 2.825 609 HD22 LEU 77 HD22 LEU 77 1.726 10.366 2.017 610 HD23 LEU 77 HD23 LEU 77 2.834 9.071 1.497 611 H GLY 78 H GLY 78 3.073 12.014 -1.366 612 HA2 GLY 78 HA2 GLY 78 2.588 11.865 -4.322 613 HA3 GLY 78 HA3 GLY 78 3.593 13.076 -3.526 614 H ASP 79 H ASP 79 4.943 11.897 -5.432 615 HA ASP 79 HA ASP 79 5.855 9.248 -5.165 616 HB2 ASP 79 HB2 ASP 79 7.066 11.678 -6.520 617 HB3 ASP 79 HB3 ASP 79 7.883 10.128 -6.523 618 H ALA 80 H ALA 80 7.229 12.112 -3.475 619 HA ALA 80 HA ALA 80 9.702 10.716 -2.772 620 HB1 ALA 80 HB1 ALA 80 8.453 13.218 -1.559 621 HB2 ALA 80 HB2 ALA 80 10.117 12.653 -1.338 622 HB3 ALA 80 HB3 ALA 80 9.576 13.194 -2.931 623 H GLU 81 H GLU 81 6.620 11.340 -1.084 624 HA GLU 81 HA GLU 81 7.368 9.981 1.371 625 HB2 GLU 81 HB2 GLU 81 4.555 10.485 0.315 626 HB3 GLU 81 HB3 GLU 81 5.049 10.140 1.967 627 HG2 GLU 81 HG2 GLU 81 4.831 12.386 2.172 628 HG3 GLU 81 HG3 GLU 81 6.515 12.365 1.652 629 H VAL 82 H VAL 82 5.561 8.995 -1.555 630 HA VAL 82 HA VAL 82 5.021 6.273 -0.866 631 HB VAL 82 HB VAL 82 5.541 7.689 -3.505 632 HG11 VAL 82 HG11 VAL 82 4.603 5.701 -4.656 633 HG12 VAL 82 HG12 VAL 82 6.179 5.386 -3.947 634 HG13 VAL 82 HG13 VAL 82 4.711 4.790 -3.136 635 HG21 VAL 82 HG21 VAL 82 3.129 7.375 -3.815 636 HG22 VAL 82 HG22 VAL 82 3.014 6.487 -2.277 637 HG23 VAL 82 HG23 VAL 82 3.435 8.212 -2.297 638 H SER 83 H SER 83 7.956 7.738 -2.365 639 HA SER 83 HA SER 83 9.338 5.257 -2.644 640 HB2 SER 83 HB2 SER 83 10.492 8.056 -2.363 641 HB3 SER 83 HB3 SER 83 11.363 6.613 -2.920 642 HG SER 83 HG SER 83 9.124 7.899 -4.110 643 H ALA 84 H ALA 84 9.189 7.458 0.178 644 HA ALA 84 HA ALA 84 11.135 5.961 1.735 645 HB1 ALA 84 HB1 ALA 84 8.939 7.915 2.521 646 HB2 ALA 84 HB2 ALA 84 10.229 7.322 3.596 647 HB3 ALA 84 HB3 ALA 84 10.634 8.310 2.186 648 H LEU 85 H LEU 85 7.545 5.818 1.456 649 HA LEU 85 HA LEU 85 7.202 3.732 3.422 650 HB2 LEU 85 HB2 LEU 85 5.522 4.700 1.083 651 HB3 LEU 85 HB3 LEU 85 4.982 3.429 2.172 652 HG LEU 85 HG LEU 85 5.718 6.235 3.132 653 HD11 LEU 85 HD11 LEU 85 2.988 5.021 2.505 654 HD12 LEU 85 HD12 LEU 85 3.804 6.321 1.603 655 HD13 LEU 85 HD13 LEU 85 3.275 6.599 3.267 656 HD21 LEU 85 HD21 LEU 85 5.825 4.572 4.934 657 HD22 LEU 85 HD22 LEU 85 4.237 3.922 4.462 658 HD23 LEU 85 HD23 LEU 85 4.380 5.563 5.122 659 H ILE 86 H ILE 86 8.183 3.602 0.073 660 HA ILE 86 HA ILE 86 7.849 0.745 -0.339 661 HB ILE 86 HB ILE 86 9.003 3.020 -1.792 662 HG12 ILE 86 HG12 ILE 86 8.130 1.758 -3.705 663 HG13 ILE 86 HG13 ILE 86 7.839 0.351 -2.682 664 HG21 ILE 86 HG21 ILE 86 11.133 1.819 -1.657 665 HG22 ILE 86 HG22 ILE 86 10.337 0.309 -2.175 666 HG23 ILE 86 HG23 ILE 86 10.457 1.694 -3.276 667 HD11 ILE 86 HD11 ILE 86 5.743 1.520 -3.084 668 HD12 ILE 86 HD12 ILE 86 6.142 1.710 -1.382 669 HD13 ILE 86 HD13 ILE 86 6.432 3.046 -2.521 670 H SER 87 H SER 87 10.564 2.759 0.884 671 HA SER 87 HA SER 87 12.279 0.531 1.521 672 HB2 SER 87 HB2 SER 87 12.162 3.297 2.787 673 HB3 SER 87 HB3 SER 87 13.457 2.106 2.987 674 HG SER 87 HG SER 87 13.980 3.631 1.468 675 H TYR 88 H TYR 88 9.689 2.209 3.441 676 HA TYR 88 HA TYR 88 10.144 0.688 5.826 677 HB2 TYR 88 HB2 TYR 88 8.715 2.687 5.643 678 HB3 TYR 88 HB3 TYR 88 7.516 1.770 4.751 679 HD1 TYR 88 HD1 TYR 88 9.412 1.665 8.012 680 HD2 TYR 88 HD2 TYR 88 5.696 0.911 5.972 681 HE1 TYR 88 HE1 TYR 88 8.334 1.161 10.188 682 HE2 TYR 88 HE2 TYR 88 4.628 0.362 8.159 683 HH TYR 88 HH TYR 88 6.433 0.510 11.243 684 H LEU 89 H LEU 89 8.024 -0.117 3.009 685 HA LEU 89 HA LEU 89 7.100 -2.578 4.162 686 HB2 LEU 89 HB2 LEU 89 6.894 -1.209 1.516 687 HB3 LEU 89 HB3 LEU 89 6.769 -2.961 1.483 688 HG LEU 89 HG LEU 89 4.956 -2.941 3.137 689 HD11 LEU 89 HD11 LEU 89 3.794 -0.843 3.712 690 HD12 LEU 89 HD12 LEU 89 5.067 0.096 2.889 691 HD13 LEU 89 HD13 LEU 89 5.446 -0.850 4.345 692 HD21 LEU 89 HD21 LEU 89 3.223 -2.030 1.663 693 HD22 LEU 89 HD22 LEU 89 4.456 -2.883 0.723 694 HD23 LEU 89 HD23 LEU 89 4.452 -1.106 0.758 695 H GLU 90 H GLU 90 9.740 -2.104 1.712 696 HA GLU 90 HA GLU 90 10.732 -4.736 1.685 697 HB2 GLU 90 HB2 GLU 90 12.023 -2.001 1.499 698 HB3 GLU 90 HB3 GLU 90 13.035 -3.433 1.493 699 HG2 GLU 90 HG2 GLU 90 10.720 -3.228 -0.453 700 HG3 GLU 90 HG3 GLU 90 12.238 -2.381 -0.749 701 H GLU 91 H GLU 91 11.677 -2.160 4.090 702 HA GLU 91 HA GLU 91 13.550 -4.025 5.291 703 HB2 GLU 91 HB2 GLU 91 12.712 -1.222 6.094 704 HB3 GLU 91 HB3 GLU 91 13.965 -2.188 6.890 705 HG2 GLU 91 HG2 GLU 91 15.277 -2.322 4.838 706 HG3 GLU 91 HG3 GLU 91 14.059 -1.400 3.960 707 H GLU 92 H GLU 92 10.283 -2.867 6.395 708 HA GLU 92 HA GLU 92 10.552 -4.357 8.905 709 HB2 GLU 92 HB2 GLU 92 8.047 -3.356 7.522 710 HB3 GLU 92 HB3 GLU 92 8.140 -4.016 9.154 711 HG2 GLU 92 HG2 GLU 92 9.389 -1.423 8.177 712 HG3 GLU 92 HG3 GLU 92 8.011 -1.623 9.254 713 H THR 93 H THR 93 9.697 -5.239 5.634 714 HA THR 93 HA THR 93 8.800 -7.943 6.340 715 HB THR 93 HB THR 93 9.788 -6.832 3.688 716 HG1 THR 93 HG1 THR 93 7.949 -5.897 3.995 717 HG21 THR 93 HG21 THR 93 9.957 -9.289 3.814 718 HG22 THR 93 HG22 THR 93 8.705 -8.765 2.692 719 HG23 THR 93 HG23 THR 93 8.258 -9.394 4.311 720 H ALA 94 H ALA 94 11.979 -6.458 5.410 721 HA ALA 94 HA ALA 94 13.460 -8.876 5.450 722 HB1 ALA 94 HB1 ALA 94 14.431 -6.118 6.306 723 HB2 ALA 94 HB2 ALA 94 15.422 -7.481 5.765 724 HB3 ALA 94 HB3 ALA 94 14.321 -6.691 4.630 725 H ARG 95 H ARG 95 12.649 -6.691 8.166 726 HA ARG 95 HA ARG 95 13.811 -8.314 10.245 727 HB2 ARG 95 HB2 ARG 95 11.712 -6.127 10.197 728 HB3 ARG 95 HB3 ARG 95 12.093 -7.001 11.685 729 HG2 ARG 95 HG2 ARG 95 14.484 -6.421 11.449 730 HG3 ARG 95 HG3 ARG 95 14.114 -5.458 10.002 731 HD2 ARG 95 HD2 ARG 95 12.774 -3.907 11.292 732 HD3 ARG 95 HD3 ARG 95 12.785 -4.977 12.700 733 HE ARG 95 HE ARG 95 14.875 -4.280 13.300 734 HH11 ARG 95 HH11 ARG 95 14.207 -2.936 10.059 735 HH12 ARG 95 HH12 ARG 95 15.606 -1.887 10.103 736 HH21 ARG 95 HH21 ARG 95 16.661 -2.919 13.306 737 HH22 ARG 95 HH22 ARG 95 16.999 -1.881 11.939 738 H LEU 96 H LEU 96 11.064 -8.988 8.333 739 HA LEU 96 HA LEU 96 9.957 -10.936 10.271 740 HB2 LEU 96 HB2 LEU 96 8.565 -9.335 8.789 741 HB3 LEU 96 HB3 LEU 96 8.902 -10.412 7.484 742 HG LEU 96 HG LEU 96 6.826 -11.044 8.183 743 HD11 LEU 96 HD11 LEU 96 6.965 -13.179 9.315 744 HD12 LEU 96 HD12 LEU 96 8.588 -12.782 9.906 745 HD13 LEU 96 HD13 LEU 96 8.305 -13.000 8.159 746 HD21 LEU 96 HD21 LEU 96 6.808 -9.588 10.153 747 HD22 LEU 96 HD22 LEU 96 7.726 -10.808 11.061 748 HD23 LEU 96 HD23 LEU 96 6.082 -11.172 10.492 749 H GLN 97 H GLN 97 12.022 -12.013 10.294 750 HA GLN 97 HA GLN 97 13.502 -13.586 9.832 751 HB2 GLN 97 HB2 GLN 97 11.214 -15.065 8.535 752 HB3 GLN 97 HB3 GLN 97 12.610 -15.719 9.389 753 HG2 GLN 97 HG2 GLN 97 10.317 -14.182 10.655 754 HG3 GLN 97 HG3 GLN 97 10.558 -15.915 10.707 755 HE21 GLN 97 HE21 GLN 97 10.224 -14.324 13.008 756 HE22 GLN 97 HE22 GLN 97 11.719 -14.434 13.936 757 H THR 98 H THR 98 13.479 -11.602 7.649 758 HA THR 98 HA THR 98 14.841 -13.260 5.549 759 HB THR 98 HB THR 98 13.186 -10.883 4.718 760 HG1 THR 98 HG1 THR 98 11.829 -12.324 5.883 761 HG21 THR 98 HG21 THR 98 13.923 -13.520 3.361 762 HG22 THR 98 HG22 THR 98 14.749 -11.972 3.096 763 HG23 THR 98 HG23 THR 98 13.058 -12.163 2.611 764 HA PRO 99 HA PRO 99 17.227 -9.520 7.108 765 HB2 PRO 99 HB2 PRO 99 19.206 -10.624 8.591 766 HB3 PRO 99 HB3 PRO 99 17.537 -10.503 9.213 767 HG2 PRO 99 HG2 PRO 99 18.824 -12.901 7.851 768 HG3 PRO 99 HG3 PRO 99 17.991 -12.854 9.437 769 HD2 PRO 99 HD2 PRO 99 16.692 -13.575 7.148 770 HD3 PRO 99 HD3 PRO 99 15.899 -12.643 8.449 771 H VAL 100 H VAL 100 17.573 -11.649 4.755 772 HA VAL 100 HA VAL 100 20.263 -12.043 4.167 773 HB VAL 100 HB VAL 100 18.144 -13.092 3.239 774 HG11 VAL 100 HG11 VAL 100 17.169 -12.272 1.213 775 HG12 VAL 100 HG12 VAL 100 17.030 -11.013 2.447 776 HG13 VAL 100 HG13 VAL 100 18.258 -10.877 1.162 777 HG21 VAL 100 HG21 VAL 100 19.193 -13.736 1.120 778 HG22 VAL 100 HG22 VAL 100 20.319 -12.365 1.224 779 HG23 VAL 100 HG23 VAL 100 20.393 -13.681 2.418 780 H THR 101 H THR 101 18.400 -9.136 3.667 781 HA THR 101 HA THR 101 20.273 -7.807 1.857 782 HB THR 101 HB THR 101 18.677 -5.879 2.232 783 HG1 THR 101 HG1 THR 101 16.917 -6.212 3.434 784 HG21 THR 101 HG21 THR 101 18.331 -7.509 0.367 785 HG22 THR 101 HG22 THR 101 16.817 -6.836 0.995 786 HG23 THR 101 HG23 THR 101 17.300 -8.486 1.438 787 H ASN 102 H ASN 102 20.261 -8.226 5.278 788 HA ASN 102 HA ASN 102 21.200 -5.615 6.044 789 HB2 ASN 102 HB2 ASN 102 21.496 -8.365 7.310 790 HB3 ASN 102 HB3 ASN 102 22.144 -6.900 8.041 791 HD21 ASN 102 HD21 ASN 102 20.193 -8.556 9.291 792 HD22 ASN 102 HD22 ASN 102 18.763 -7.524 9.473 793 H ARG 103 H ARG 103 23.237 -4.826 6.378 794 HA ARG 103 HA ARG 103 25.135 -4.092 5.616 795 HB2 ARG 103 HB2 ARG 103 25.994 -6.163 6.722 796 HB3 ARG 103 HB3 ARG 103 26.061 -6.933 5.141 797 HG2 ARG 103 HG2 ARG 103 28.241 -6.181 5.873 798 HG3 ARG 103 HG3 ARG 103 27.791 -5.343 4.401 799 HD2 ARG 103 HD2 ARG 103 27.379 -4.102 7.154 800 HD3 ARG 103 HD3 ARG 103 28.935 -4.020 6.315 801 HE ARG 103 HE ARG 103 27.276 -3.094 4.401 802 HH11 ARG 103 HH11 ARG 103 27.657 -2.115 7.811 803 HH12 ARG 103 HH12 ARG 103 27.140 -0.473 7.499 804 HH21 ARG 103 HH21 ARG 103 26.610 -0.969 4.049 805 HH22 ARG 103 HH22 ARG 103 26.547 0.175 5.371 806 H GLY 104 H GLY 104 23.148 -5.755 3.410 807 HA2 GLY 104 HA2 GLY 104 24.365 -4.574 0.999 808 HA3 GLY 104 HA3 GLY 104 22.727 -5.218 1.182 809 H ILE 105 H ILE 105 21.636 -3.839 3.192 810 HA ILE 105 HA ILE 105 20.747 -1.380 2.332 811 HB ILE 105 HB ILE 105 21.041 -2.459 5.138 812 HG12 ILE 105 HG12 ILE 105 18.579 -2.253 3.334 813 HG13 ILE 105 HG13 ILE 105 19.593 -3.686 3.410 814 HG21 ILE 105 HG21 ILE 105 19.318 -0.810 5.841 815 HG22 ILE 105 HG22 ILE 105 20.786 -0.004 5.331 816 HG23 ILE 105 HG23 ILE 105 19.385 -0.055 4.238 817 HD11 ILE 105 HD11 ILE 105 17.735 -4.086 4.832 818 HD12 ILE 105 HD12 ILE 105 19.148 -3.844 5.877 819 HD13 ILE 105 HD13 ILE 105 17.938 -2.548 5.680 820 HA PRO 106 HA PRO 106 24.241 1.438 3.012 821 HB2 PRO 106 HB2 PRO 106 22.107 3.561 2.970 822 HB3 PRO 106 HB3 PRO 106 23.657 3.489 2.078 823 HG2 PRO 106 HG2 PRO 106 21.325 2.914 0.819 824 HG3 PRO 106 HG3 PRO 106 22.777 1.900 0.528 825 HD2 PRO 106 HD2 PRO 106 20.448 1.347 2.391 826 HD3 PRO 106 HD3 PRO 106 21.239 0.270 1.200 827 HHA HEC 107 HHA HEC 107 -4.846 -3.711 1.147 828 HHB HEC 107 HHB HEC 107 -0.242 0.808 1.440 829 HHC HEC 107 HHC HEC 107 -4.354 4.649 4.632 830 HHD HEC 107 HHD HEC 107 -8.398 -0.371 5.328 831 HMA1 HEC 107 HMA1 HEC 107 -0.100 -1.240 -0.860 832 HMA2 HEC 107 HMA2 HEC 107 0.718 -1.173 0.720 833 HMA3 HEC 107 HMA3 HEC 107 0.270 -2.729 0.033 834 HAA1 HEC 107 HAA1 HEC 107 -3.357 -3.889 -0.703 835 HAA2 HEC 107 HAA2 HEC 107 -1.644 -3.678 -0.980 836 HBA1 HEC 107 HBA1 HEC 107 -1.113 -5.059 0.985 837 HBA2 HEC 107 HBA2 HEC 107 -2.834 -5.238 1.352 838 HMB1 HEC 107 HMB1 HEC 107 0.099 3.261 0.965 839 HMB2 HEC 107 HMB2 HEC 107 0.334 4.519 2.162 840 HMB3 HEC 107 HMB3 HEC 107 0.960 2.902 2.488 841 HAB HEC 107 HAB HEC 107 -2.423 5.458 4.757 842 HBB1 HEC 107 HBB1 HEC 107 -1.319 6.112 2.030 843 HBB2 HEC 107 HBB2 HEC 107 -2.966 6.352 2.614 844 HBB3 HEC 107 HBB3 HEC 107 -1.632 7.293 3.314 845 HMC1 HEC 107 HMC1 HEC 107 -6.107 5.403 5.629 846 HMC2 HEC 107 HMC2 HEC 107 -7.823 5.061 5.418 847 HMC3 HEC 107 HMC3 HEC 107 -7.028 4.720 6.964 848 HAC HEC 107 HAC HEC 107 -9.014 1.134 6.602 849 HBC1 HEC 107 HBC1 HEC 107 -9.849 3.338 5.641 850 HBC2 HEC 107 HBC2 HEC 107 -10.462 2.809 7.221 851 HBC3 HEC 107 HBC3 HEC 107 -9.247 4.075 7.141 852 HMD1 HEC 107 HMD1 HEC 107 -9.009 -2.649 5.386 853 HMD2 HEC 107 HMD2 HEC 107 -9.754 -2.607 3.767 854 HMD3 HEC 107 HMD3 HEC 107 -8.926 -4.054 4.320 855 HAD1 HEC 107 HAD1 HEC 107 -7.083 -4.644 1.286 856 HAD2 HEC 107 HAD2 HEC 107 -8.653 -4.059 1.860 857 HBD1 HEC 107 HBD1 HEC 107 -6.861 -2.481 -0.030 858 HBD2 HEC 107 HBD2 HEC 107 -8.239 -3.459 -0.510
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