NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
554726 | 2m1z | 18887 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -18.056 2.558 -7.696 2 H2 MET 1 H2 MET 1 -16.501 3.056 -8.142 3 H3 MET 1 H3 MET 1 -16.859 2.761 -6.514 4 HA MET 1 HA MET 1 -17.199 0.437 -6.953 5 HB2 MET 1 HB2 MET 1 -17.974 0.700 -9.291 6 HB3 MET 1 HB3 MET 1 -16.335 1.122 -9.771 7 HG2 MET 1 HG2 MET 1 -15.566 -1.096 -9.061 8 HG3 MET 1 HG3 MET 1 -17.218 -1.517 -8.618 9 HE1 MET 1 HE1 MET 1 -14.704 -0.804 -11.527 10 HE2 MET 1 HE2 MET 1 -15.759 -0.785 -12.940 11 HE3 MET 1 HE3 MET 1 -15.862 0.507 -11.745 12 H LYS 2 H LYS 2 -14.693 2.320 -8.641 13 HA LYS 2 HA LYS 2 -12.651 0.570 -7.522 14 HB2 LYS 2 HB2 LYS 2 -12.408 2.891 -9.446 15 HB3 LYS 2 HB3 LYS 2 -11.086 1.847 -8.947 16 HG2 LYS 2 HG2 LYS 2 -12.348 -0.080 -9.926 17 HG3 LYS 2 HG3 LYS 2 -13.497 1.090 -10.579 18 HD2 LYS 2 HD2 LYS 2 -10.533 1.067 -11.141 19 HD3 LYS 2 HD3 LYS 2 -11.774 0.423 -12.217 20 HE2 LYS 2 HE2 LYS 2 -11.679 3.284 -11.280 21 HE3 LYS 2 HE3 LYS 2 -10.961 2.724 -12.788 22 HZ1 LYS 2 HZ1 LYS 2 -13.138 2.011 -13.531 23 HZ2 LYS 2 HZ2 LYS 2 -13.161 3.659 -13.131 24 HZ3 LYS 2 HZ3 LYS 2 -13.841 2.524 -12.074 25 H ARG 3 H ARG 3 -12.327 1.052 -5.406 26 HA ARG 3 HA ARG 3 -12.263 3.754 -4.442 27 HB2 ARG 3 HB2 ARG 3 -12.778 1.539 -3.144 28 HB3 ARG 3 HB3 ARG 3 -11.031 1.436 -2.975 29 HG2 ARG 3 HG2 ARG 3 -11.808 2.471 -1.015 30 HG3 ARG 3 HG3 ARG 3 -11.124 3.767 -1.998 31 HD2 ARG 3 HD2 ARG 3 -13.462 4.203 -2.840 32 HD3 ARG 3 HD3 ARG 3 -14.031 3.092 -1.595 33 HE ARG 3 HE ARG 3 -12.435 5.470 -0.891 34 HH11 ARG 3 2HH1 ARG 3 -15.383 3.583 -0.576 35 HH12 ARG 3 1HH1 ARG 3 -16.017 4.562 0.714 36 HH21 ARG 3 2HH2 ARG 3 -13.240 6.724 0.810 37 HH22 ARG 3 1HH2 ARG 3 -14.795 6.349 1.515 38 H LYS 4 H LYS 4 -10.476 5.004 -3.954 39 HA LYS 4 HA LYS 4 -8.079 4.338 -5.473 40 HB2 LYS 4 HB2 LYS 4 -8.634 6.886 -3.963 41 HB3 LYS 4 HB3 LYS 4 -7.529 6.648 -5.308 42 HG2 LYS 4 HG2 LYS 4 -10.525 6.441 -5.502 43 HG3 LYS 4 HG3 LYS 4 -9.586 7.878 -5.904 44 HD2 LYS 4 HD2 LYS 4 -8.484 6.746 -7.696 45 HD3 LYS 4 HD3 LYS 4 -9.169 5.193 -7.207 46 HE2 LYS 4 HE2 LYS 4 -10.297 6.237 -9.170 47 HE3 LYS 4 HE3 LYS 4 -11.374 5.900 -7.816 48 HZ1 LYS 4 HZ1 LYS 4 -10.163 8.558 -8.364 49 HZ2 LYS 4 HZ2 LYS 4 -11.344 8.196 -7.201 50 HZ3 LYS 4 HZ3 LYS 4 -11.718 8.099 -8.853 51 H ILE 5 H ILE 5 -6.457 3.302 -4.463 52 HA ILE 5 HA ILE 5 -5.855 4.030 -1.669 53 HB ILE 5 HB ILE 5 -5.941 1.193 -2.731 54 HG12 ILE 5 2HG1 ILE 5 -7.713 2.505 -0.660 55 HG13 ILE 5 3HG1 ILE 5 -8.184 2.211 -2.330 56 HG21 ILE 5 2HG2 ILE 5 -4.169 1.503 -1.093 57 HG22 ILE 5 1HG2 ILE 5 -5.473 0.526 -0.418 58 HG23 ILE 5 3HG2 ILE 5 -5.318 2.224 0.035 59 HD11 ILE 5 3HD1 ILE 5 -9.097 0.526 -0.841 60 HD12 ILE 5 2HD1 ILE 5 -7.473 0.106 -0.298 61 HD13 ILE 5 1HD1 ILE 5 -7.947 -0.190 -1.971 62 H ILE 6 H ILE 6 -3.686 4.202 -1.214 63 HA ILE 6 HA ILE 6 -1.817 3.144 -3.233 64 HB ILE 6 HB ILE 6 -0.166 4.837 -2.610 65 HG12 ILE 6 2HG1 ILE 6 -1.177 5.204 -0.265 66 HG13 ILE 6 3HG1 ILE 6 -0.514 6.605 -1.100 67 HG21 ILE 6 2HG2 ILE 6 -1.235 6.785 -3.648 68 HG22 ILE 6 1HG2 ILE 6 -2.807 6.012 -3.448 69 HG23 ILE 6 3HG2 ILE 6 -1.592 5.282 -4.498 70 HD11 ILE 6 3HD1 ILE 6 -2.598 7.151 -0.007 71 HD12 ILE 6 2HD1 ILE 6 -3.427 5.870 -0.892 72 HD13 ILE 6 1HD1 ILE 6 -2.775 7.262 -1.759 73 H ALA 7 H ALA 7 0.061 2.108 -2.450 74 HA ALA 7 HA ALA 7 0.148 1.565 0.422 75 HB1 ALA 7 HB1 ALA 7 -0.103 -0.633 -1.631 76 HB2 ALA 7 HB2 ALA 7 0.136 -0.848 0.103 77 HB3 ALA 7 HB3 ALA 7 -1.360 -0.135 -0.498 78 H VAL 8 H VAL 8 2.191 1.372 1.144 79 HA VAL 8 HA VAL 8 4.307 1.227 -0.893 80 HB VAL 8 HB VAL 8 4.527 2.217 1.953 81 HG11 VAL 8 2HG1 VAL 8 6.620 1.331 1.083 82 HG12 VAL 8 1HG1 VAL 8 6.705 3.087 1.230 83 HG13 VAL 8 3HG1 VAL 8 6.470 2.344 -0.353 84 HG21 VAL 8 3HG2 VAL 8 4.697 4.457 0.940 85 HG22 VAL 8 2HG2 VAL 8 3.125 3.706 0.660 86 HG23 VAL 8 1HG2 VAL 8 4.322 3.756 -0.634 87 H THR 9 H THR 9 5.631 -0.438 -0.963 88 HA THR 9 HA THR 9 5.736 -2.294 1.326 89 HB THR 9 HB THR 9 6.356 -4.044 -0.409 90 HG1 THR 9 HG1 THR 9 5.812 -1.852 -2.061 91 HG21 THR 9 3HG2 THR 9 4.140 -3.993 0.616 92 HG22 THR 9 1HG2 THR 9 4.030 -4.466 -1.079 93 HG23 THR 9 2HG2 THR 9 3.595 -2.828 -0.590 94 H ALA 10 H ALA 10 7.719 -2.541 2.215 95 HA ALA 10 HA ALA 10 10.103 -2.103 0.620 96 HB1 ALA 10 HB1 ALA 10 9.505 -0.334 2.986 97 HB2 ALA 10 HB2 ALA 10 10.997 -0.342 2.046 98 HB3 ALA 10 HB3 ALA 10 9.484 0.167 1.296 99 H CYS 11 H CYS 11 11.598 -3.491 1.214 100 HA CYS 11 HA CYS 11 12.041 -4.083 4.020 101 HB2 CYS 11 HB2 CYS 11 10.440 -5.839 3.201 102 HB3 CYS 11 HB3 CYS 11 11.643 -6.318 2.011 103 HG CYS 11 HG CYS 11 11.289 -7.361 5.071 104 H ALA 12 H ALA 12 14.194 -4.792 4.407 105 HA ALA 12 HA ALA 12 16.009 -4.025 2.256 106 HB1 ALA 12 HB1 ALA 12 16.327 -2.968 4.428 107 HB2 ALA 12 HB2 ALA 12 16.561 -4.548 5.176 108 HB3 ALA 12 HB3 ALA 12 17.729 -3.948 3.998 109 H THR 13 H THR 13 16.404 -6.451 4.819 110 HA THR 13 HA THR 13 17.535 -8.272 2.845 111 HB THR 13 HB THR 13 17.994 -9.617 5.045 112 HG1 THR 13 HG1 THR 13 16.921 -8.489 6.577 113 HG21 THR 13 3HG2 THR 13 20.066 -8.328 5.400 114 HG22 THR 13 1HG2 THR 13 19.415 -7.027 4.405 115 HG23 THR 13 2HG2 THR 13 19.746 -8.604 3.688 116 H GLY 14 H GLY 14 15.837 -9.152 1.793 117 HA2 GLY 14 HA1 GLY 14 14.460 -11.256 2.080 118 HA3 GLY 14 HA2 GLY 14 13.702 -10.391 3.414 119 H VAL 15 H VAL 15 14.661 -9.401 0.137 120 HA VAL 15 HA VAL 15 12.422 -7.708 -0.167 121 HB VAL 15 HB VAL 15 13.148 -7.449 -2.491 122 HG11 VAL 15 2HG1 VAL 15 14.208 -6.120 -0.753 123 HG12 VAL 15 1HG1 VAL 15 15.360 -6.507 -2.030 124 HG13 VAL 15 3HG1 VAL 15 15.410 -7.387 -0.503 125 HG21 VAL 15 3HG2 VAL 15 13.835 -9.736 -2.961 126 HG22 VAL 15 2HG2 VAL 15 15.184 -9.572 -1.838 127 HG23 VAL 15 1HG2 VAL 15 15.141 -8.605 -3.313 128 H ALA 16 H ALA 16 12.783 -11.075 -0.581 129 HA ALA 16 HA ALA 16 10.907 -11.635 -2.573 130 HB1 ALA 16 HB1 ALA 16 10.636 -13.810 -1.505 131 HB2 ALA 16 HB2 ALA 16 12.337 -13.347 -1.550 132 HB3 ALA 16 HB3 ALA 16 11.425 -13.207 -0.048 133 H HIS 17 H HIS 17 10.509 -10.732 0.794 134 HA HIS 17 HA HIS 17 7.712 -11.090 0.986 135 HB2 HIS 17 HB2 HIS 17 9.606 -9.201 2.387 136 HB3 HIS 17 HB3 HIS 17 7.887 -9.252 2.749 137 HD1 HIS 17 HD1 HIS 17 10.921 -10.469 4.034 138 HD2 HIS 17 HD2 HIS 17 7.177 -12.165 3.408 139 HE1 HIS 17 HE1 HIS 17 10.801 -12.437 5.583 140 HE2 HIS 17 HE2 HIS 17 8.453 -13.320 5.339 141 H THR 18 H THR 18 9.665 -8.243 0.195 142 HA THR 18 HA THR 18 7.677 -6.363 -0.134 143 HB THR 18 HB THR 18 10.142 -6.470 -1.866 144 HG1 THR 18 HG1 THR 18 11.346 -5.910 -0.153 145 HG21 THR 18 3HG2 THR 18 8.598 -4.635 -2.310 146 HG22 THR 18 1HG2 THR 18 10.080 -4.030 -1.574 147 HG23 THR 18 2HG2 THR 18 8.616 -4.190 -0.603 148 H TYR 19 H TYR 19 9.160 -8.392 -2.670 149 HA TYR 19 HA TYR 19 7.547 -7.319 -4.735 150 HB2 TYR 19 HB2 TYR 19 9.276 -9.781 -4.585 151 HB3 TYR 19 HB3 TYR 19 8.389 -9.335 -6.041 152 HD1 TYR 19 HD1 TYR 19 8.971 -7.290 -7.268 153 HD2 TYR 19 HD2 TYR 19 11.247 -8.574 -3.914 154 HE1 TYR 19 HE1 TYR 19 10.790 -5.775 -7.931 155 HE2 TYR 19 HE2 TYR 19 13.073 -7.064 -4.566 156 HH TYR 19 HH TYR 19 12.682 -4.605 -6.894 157 H MET 20 H MET 20 7.334 -10.343 -2.876 158 HA MET 20 HA MET 20 5.170 -11.423 -4.309 159 HB2 MET 20 HB2 MET 20 6.592 -12.736 -2.777 160 HB3 MET 20 HB3 MET 20 5.899 -11.874 -1.410 161 HG2 MET 20 HG2 MET 20 4.875 -14.042 -1.636 162 HG3 MET 20 HG3 MET 20 3.694 -12.777 -1.971 163 HE1 MET 20 HE1 MET 20 6.061 -15.497 -3.548 164 HE2 MET 20 HE2 MET 20 5.742 -15.276 -5.270 165 HE3 MET 20 HE3 MET 20 6.569 -14.015 -4.357 166 H ALA 21 H ALA 21 5.282 -9.356 -1.436 167 HA ALA 21 HA ALA 21 2.517 -9.334 -0.920 168 HB1 ALA 21 HB1 ALA 21 2.952 -7.345 0.410 169 HB2 ALA 21 HB2 ALA 21 4.198 -8.561 0.693 170 HB3 ALA 21 HB3 ALA 21 4.539 -7.174 -0.341 171 H ALA 22 H ALA 22 4.571 -7.141 -2.806 172 HA ALA 22 HA ALA 22 2.567 -5.327 -3.565 173 HB1 ALA 22 HB1 ALA 22 4.937 -4.826 -3.780 174 HB2 ALA 22 HB2 ALA 22 5.108 -6.076 -5.014 175 HB3 ALA 22 HB3 ALA 22 4.126 -4.647 -5.336 176 H GLN 23 H GLN 23 3.496 -8.451 -4.889 177 HA GLN 23 HA GLN 23 1.978 -8.120 -7.309 178 HB2 GLN 23 HB2 GLN 23 3.063 -10.645 -6.051 179 HB3 GLN 23 HB3 GLN 23 2.362 -10.534 -7.656 180 HG2 GLN 23 HG2 GLN 23 4.946 -9.380 -6.669 181 HG3 GLN 23 HG3 GLN 23 4.691 -10.559 -7.950 182 HE21 GLN 23 1HE2 GLN 23 4.732 -7.229 -7.092 183 HE22 GLN 23 2HE2 GLN 23 4.557 -6.589 -8.689 184 H ALA 24 H ALA 24 1.525 -10.035 -4.330 185 HA ALA 24 HA ALA 24 -0.982 -11.094 -5.058 186 HB1 ALA 24 HB1 ALA 24 0.402 -12.070 -3.303 187 HB2 ALA 24 HB2 ALA 24 0.150 -10.641 -2.299 188 HB3 ALA 24 HB3 ALA 24 -1.211 -11.690 -2.698 189 H LEU 25 H LEU 25 -0.099 -8.253 -3.161 190 HA LEU 25 HA LEU 25 -2.674 -7.424 -2.429 191 HB2 LEU 25 HB2 LEU 25 -0.644 -6.536 -1.426 192 HB3 LEU 25 HB3 LEU 25 -0.172 -5.821 -2.953 193 HG LEU 25 HG LEU 25 -2.166 -4.330 -2.811 194 HD11 LEU 25 2HD1 LEU 25 -3.307 -4.105 -0.665 195 HD12 LEU 25 1HD1 LEU 25 -2.388 -5.465 -0.022 196 HD13 LEU 25 3HD1 LEU 25 -3.540 -5.721 -1.332 197 HD21 LEU 25 3HD2 LEU 25 -1.167 -2.837 -1.199 198 HD22 LEU 25 2HD2 LEU 25 0.104 -3.661 -2.107 199 HD23 LEU 25 1HD2 LEU 25 -0.283 -4.175 -0.463 200 H LYS 26 H LYS 26 -0.717 -6.716 -5.285 201 HA LYS 26 HA LYS 26 -2.458 -4.833 -6.468 202 HB2 LYS 26 HB2 LYS 26 -0.012 -5.334 -7.034 203 HB3 LYS 26 HB3 LYS 26 -0.616 -6.690 -7.972 204 HG2 LYS 26 HG2 LYS 26 -1.955 -5.111 -9.320 205 HG3 LYS 26 HG3 LYS 26 -1.225 -3.779 -8.422 206 HD2 LYS 26 HD2 LYS 26 0.184 -5.777 -10.187 207 HD3 LYS 26 HD3 LYS 26 -0.042 -4.057 -10.499 208 HE2 LYS 26 HE2 LYS 26 1.324 -3.561 -8.489 209 HE3 LYS 26 HE3 LYS 26 1.617 -5.290 -8.298 210 HZ1 LYS 26 HZ1 LYS 26 3.474 -4.501 -9.443 211 HZ2 LYS 26 HZ2 LYS 26 2.560 -3.484 -10.440 212 HZ3 LYS 26 HZ3 LYS 26 2.510 -5.163 -10.674 213 H LYS 27 H LYS 27 -2.075 -8.330 -6.891 214 HA LYS 27 HA LYS 27 -4.004 -8.718 -8.881 215 HB2 LYS 27 HB2 LYS 27 -2.942 -10.515 -6.713 216 HB3 LYS 27 HB3 LYS 27 -4.135 -11.070 -7.876 217 HG2 LYS 27 HG2 LYS 27 -2.586 -10.621 -9.700 218 HG3 LYS 27 HG3 LYS 27 -1.398 -10.004 -8.548 219 HD2 LYS 27 HD2 LYS 27 -1.165 -12.156 -7.531 220 HD3 LYS 27 HD3 LYS 27 -2.518 -12.804 -8.460 221 HE2 LYS 27 HE2 LYS 27 0.102 -11.836 -9.608 222 HE3 LYS 27 HE3 LYS 27 -0.340 -13.523 -9.351 223 HZ1 LYS 27 HZ1 LYS 27 -2.279 -13.081 -10.859 224 HZ2 LYS 27 HZ2 LYS 27 -0.761 -13.047 -11.603 225 HZ3 LYS 27 HZ3 LYS 27 -1.557 -11.594 -11.248 226 H GLY 28 H GLY 28 -4.291 -8.904 -5.353 227 HA2 GLY 28 HA1 GLY 28 -7.010 -9.613 -5.256 228 HA3 GLY 28 HA2 GLY 28 -6.110 -8.835 -3.963 229 H ALA 29 H ALA 29 -5.464 -6.412 -5.136 230 HA ALA 29 HA ALA 29 -7.830 -4.945 -4.710 231 HB1 ALA 29 HB1 ALA 29 -6.547 -2.994 -5.400 232 HB2 ALA 29 HB2 ALA 29 -5.596 -4.022 -4.328 233 HB3 ALA 29 HB3 ALA 29 -5.293 -4.040 -6.065 234 H LYS 30 H LYS 30 -6.187 -5.959 -7.657 235 HA LYS 30 HA LYS 30 -7.905 -4.582 -9.449 236 HB2 LYS 30 HB2 LYS 30 -5.652 -5.411 -10.068 237 HB3 LYS 30 HB3 LYS 30 -6.242 -7.063 -9.935 238 HG2 LYS 30 HG2 LYS 30 -6.193 -6.441 -12.244 239 HG3 LYS 30 HG3 LYS 30 -7.875 -6.575 -11.729 240 HD2 LYS 30 HD2 LYS 30 -7.878 -4.094 -11.388 241 HD3 LYS 30 HD3 LYS 30 -6.279 -4.050 -12.131 242 HE2 LYS 30 HE2 LYS 30 -8.834 -5.017 -13.405 243 HE3 LYS 30 HE3 LYS 30 -7.989 -3.513 -13.763 244 HZ1 LYS 30 HZ1 LYS 30 -6.096 -4.829 -14.548 245 HZ2 LYS 30 HZ2 LYS 30 -7.508 -5.168 -15.425 246 HZ3 LYS 30 HZ3 LYS 30 -6.961 -6.258 -14.250 247 H LYS 31 H LYS 31 -7.921 -7.807 -8.030 248 HA LYS 31 HA LYS 31 -10.033 -8.892 -9.553 249 HB2 LYS 31 HB2 LYS 31 -8.423 -10.171 -8.105 250 HB3 LYS 31 HB3 LYS 31 -9.304 -9.577 -6.700 251 HG2 LYS 31 HG2 LYS 31 -9.997 -11.830 -7.255 252 HG3 LYS 31 HG3 LYS 31 -11.325 -10.695 -7.502 253 HD2 LYS 31 HD2 LYS 31 -10.898 -10.684 -9.898 254 HD3 LYS 31 HD3 LYS 31 -9.519 -11.761 -9.675 255 HE2 LYS 31 HE2 LYS 31 -11.451 -13.011 -10.437 256 HE3 LYS 31 HE3 LYS 31 -11.018 -13.487 -8.796 257 HZ1 LYS 31 HZ1 LYS 31 -12.811 -12.184 -7.929 258 HZ2 LYS 31 HZ2 LYS 31 -13.430 -13.189 -9.147 259 HZ3 LYS 31 HZ3 LYS 31 -13.165 -11.547 -9.462 260 H MET 32 H MET 32 -9.955 -7.047 -6.569 261 HA MET 32 HA MET 32 -12.759 -7.250 -6.057 262 HB2 MET 32 HB2 MET 32 -10.673 -5.331 -5.009 263 HB3 MET 32 HB3 MET 32 -12.319 -5.437 -4.403 264 HG2 MET 32 HG2 MET 32 -10.374 -7.732 -4.375 265 HG3 MET 32 HG3 MET 32 -10.592 -6.610 -3.032 266 HE1 MET 32 HE1 MET 32 -13.696 -6.055 -3.112 267 HE2 MET 32 HE2 MET 32 -14.313 -7.287 -2.012 268 HE3 MET 32 HE3 MET 32 -12.834 -6.409 -1.615 269 H GLY 33 H GLY 33 -10.791 -5.277 -8.067 270 HA2 GLY 33 HA1 GLY 33 -11.590 -3.966 -9.833 271 HA3 GLY 33 HA2 GLY 33 -13.176 -3.957 -9.079 272 H ASN 34 H ASN 34 -9.933 -2.929 -7.995 273 HA ASN 34 HA ASN 34 -11.069 -0.253 -7.521 274 HB2 ASN 34 HB2 ASN 34 -9.127 -1.726 -5.723 275 HB3 ASN 34 HB3 ASN 34 -9.648 -0.060 -5.504 276 HD21 ASN 34 1HD2 ASN 34 -10.501 -3.387 -5.214 277 HD22 ASN 34 2HD2 ASN 34 -11.968 -3.148 -4.332 278 H LEU 35 H LEU 35 -9.028 1.243 -6.909 279 HA LEU 35 HA LEU 35 -6.968 0.762 -8.962 280 HB2 LEU 35 HB2 LEU 35 -8.210 3.374 -8.099 281 HB3 LEU 35 HB3 LEU 35 -6.767 3.264 -9.089 282 HG LEU 35 HG LEU 35 -9.507 2.250 -9.852 283 HD11 LEU 35 2HD1 LEU 35 -9.448 4.055 -11.505 284 HD12 LEU 35 1HD1 LEU 35 -7.915 4.615 -10.835 285 HD13 LEU 35 3HD1 LEU 35 -9.382 4.676 -9.857 286 HD21 LEU 35 3HD2 LEU 35 -8.509 1.844 -12.049 287 HD22 LEU 35 2HD2 LEU 35 -7.724 0.878 -10.800 288 HD23 LEU 35 1HD2 LEU 35 -6.932 2.324 -11.425 289 H ILE 36 H ILE 36 -5.134 0.255 -7.973 290 HA ILE 36 HA ILE 36 -4.532 1.591 -5.428 291 HB ILE 36 HB ILE 36 -5.140 -0.798 -5.130 292 HG12 ILE 36 2HG1 ILE 36 -2.244 -0.167 -4.523 293 HG13 ILE 36 3HG1 ILE 36 -3.619 0.368 -3.565 294 HG21 ILE 36 2HG2 ILE 36 -2.643 -1.331 -6.738 295 HG22 ILE 36 1HG2 ILE 36 -4.298 -1.679 -7.237 296 HG23 ILE 36 3HG2 ILE 36 -3.590 -2.541 -5.872 297 HD11 ILE 36 3HD1 ILE 36 -4.166 -1.959 -3.062 298 HD12 ILE 36 2HD1 ILE 36 -2.533 -1.539 -2.542 299 HD13 ILE 36 1HD1 ILE 36 -2.776 -2.487 -4.010 300 H LYS 37 H LYS 37 -2.495 2.301 -5.085 301 HA LYS 37 HA LYS 37 -0.559 2.009 -7.292 302 HB2 LYS 37 HB2 LYS 37 -1.062 4.277 -5.366 303 HB3 LYS 37 HB3 LYS 37 0.429 4.149 -6.285 304 HG2 LYS 37 HG2 LYS 37 -2.266 4.183 -7.601 305 HG3 LYS 37 HG3 LYS 37 -1.380 5.660 -7.212 306 HD2 LYS 37 HD2 LYS 37 0.534 4.792 -8.541 307 HD3 LYS 37 HD3 LYS 37 -0.465 3.413 -9.006 308 HE2 LYS 37 HE2 LYS 37 -2.025 4.848 -10.125 309 HE3 LYS 37 HE3 LYS 37 -1.206 6.287 -9.519 310 HZ1 LYS 37 HZ1 LYS 37 -0.007 4.298 -11.374 311 HZ2 LYS 37 HZ2 LYS 37 0.722 5.730 -10.835 312 HZ3 LYS 37 HZ3 LYS 37 -0.648 5.800 -11.834 313 H VAL 38 H VAL 38 0.740 0.375 -6.659 314 HA VAL 38 HA VAL 38 1.528 0.200 -3.848 315 HB VAL 38 HB VAL 38 2.093 -1.798 -6.047 316 HG11 VAL 38 2HG1 VAL 38 2.211 -2.044 -3.045 317 HG12 VAL 38 1HG1 VAL 38 3.596 -1.952 -4.134 318 HG13 VAL 38 3HG1 VAL 38 2.510 -3.341 -4.200 319 HG21 VAL 38 3HG2 VAL 38 -0.144 -1.779 -4.022 320 HG22 VAL 38 2HG2 VAL 38 0.235 -3.107 -5.118 321 HG23 VAL 38 1HG2 VAL 38 -0.314 -1.560 -5.764 322 H GLU 39 H GLU 39 3.327 1.141 -3.255 323 HA GLU 39 HA GLU 39 5.418 1.695 -5.220 324 HB2 GLU 39 HB2 GLU 39 4.660 3.543 -3.798 325 HB3 GLU 39 HB3 GLU 39 5.060 2.617 -2.360 326 HG2 GLU 39 HG2 GLU 39 7.376 2.776 -2.781 327 HG3 GLU 39 HG3 GLU 39 7.110 3.375 -4.417 328 H THR 40 H THR 40 7.358 0.691 -5.201 329 HA THR 40 HA THR 40 7.773 -1.330 -3.106 330 HB THR 40 HB THR 40 8.569 -1.519 -6.017 331 HG1 THR 40 HG1 THR 40 6.516 -2.853 -4.547 332 HG21 THR 40 3HG2 THR 40 8.730 -3.554 -3.791 333 HG22 THR 40 1HG2 THR 40 10.099 -2.723 -4.529 334 HG23 THR 40 2HG2 THR 40 9.130 -3.846 -5.483 335 H GLN 41 H GLN 41 9.375 -0.702 -1.823 336 HA GLN 41 HA GLN 41 11.699 0.647 -3.017 337 HB2 GLN 41 HB2 GLN 41 10.656 0.503 -0.201 338 HB3 GLN 41 HB3 GLN 41 12.320 0.961 -0.527 339 HG2 GLN 41 HG2 GLN 41 11.460 2.796 -1.970 340 HG3 GLN 41 HG3 GLN 41 9.832 2.377 -1.437 341 HE21 GLN 41 1HE2 GLN 41 12.566 2.104 0.690 342 HE22 GLN 41 2HE2 GLN 41 12.146 3.419 1.724 343 H GLY 42 H GLY 42 13.268 -0.669 -3.604 344 HA2 GLY 42 HA1 GLY 42 13.802 -3.168 -2.255 345 HA3 GLY 42 HA2 GLY 42 14.773 -2.435 -3.532 346 H ALA 43 H ALA 43 13.795 -1.803 -0.209 347 HA ALA 43 HA ALA 43 14.911 -1.194 1.664 348 HB1 ALA 43 HB1 ALA 43 16.692 -2.765 1.059 349 HB2 ALA 43 HB2 ALA 43 17.458 -1.514 0.080 350 HB3 ALA 43 HB3 ALA 43 17.332 -1.313 1.828 351 H THR 44 H THR 44 17.027 0.252 -0.819 352 HA THR 44 HA THR 44 16.127 2.884 0.152 353 HB THR 44 HB THR 44 18.738 2.259 -1.245 354 HG1 THR 44 HG1 THR 44 18.819 1.315 0.779 355 HG21 THR 44 3HG2 THR 44 19.397 4.487 -0.453 356 HG22 THR 44 1HG2 THR 44 17.790 4.717 0.237 357 HG23 THR 44 2HG2 THR 44 17.987 4.573 -1.510 358 H GLY 45 H GLY 45 16.711 0.875 -2.653 359 HA2 GLY 45 HA1 GLY 45 16.244 2.976 -4.563 360 HA3 GLY 45 HA2 GLY 45 16.432 1.266 -4.913 361 H ILE 46 H ILE 46 14.303 3.823 -4.825 362 HA ILE 46 HA ILE 46 11.911 2.238 -4.368 363 HB ILE 46 HB ILE 46 12.097 5.086 -5.385 364 HG12 ILE 46 2HG1 ILE 46 11.811 4.119 -2.528 365 HG13 ILE 46 3HG1 ILE 46 13.268 4.831 -3.215 366 HG21 ILE 46 2HG2 ILE 46 9.940 4.008 -5.746 367 HG22 ILE 46 1HG2 ILE 46 9.812 5.271 -4.521 368 HG23 ILE 46 3HG2 ILE 46 9.860 3.576 -4.038 369 HD11 ILE 46 3HD1 ILE 46 10.612 6.217 -2.916 370 HD12 ILE 46 2HD1 ILE 46 12.089 6.930 -3.562 371 HD13 ILE 46 1HD1 ILE 46 12.017 6.432 -1.872 372 H GLU 47 H GLU 47 10.915 1.118 -5.959 373 HA GLU 47 HA GLU 47 11.926 1.508 -8.681 374 HB2 GLU 47 HB2 GLU 47 10.274 -0.757 -7.573 375 HB3 GLU 47 HB3 GLU 47 11.058 -0.706 -9.147 376 HG2 GLU 47 HG2 GLU 47 13.232 -0.390 -7.817 377 HG3 GLU 47 HG3 GLU 47 12.293 -0.967 -6.440 378 H ASN 48 H ASN 48 9.129 2.100 -6.825 379 HA ASN 48 HA ASN 48 7.813 3.081 -9.245 380 HB2 ASN 48 HB2 ASN 48 6.819 0.837 -8.653 381 HB3 ASN 48 HB3 ASN 48 6.290 1.543 -7.128 382 HD21 ASN 48 1HD2 ASN 48 4.114 1.281 -7.556 383 HD22 ASN 48 2HD2 ASN 48 3.279 2.196 -8.770 384 H GLU 49 H GLU 49 8.514 5.108 -8.518 385 HA GLU 49 HA GLU 49 7.961 5.993 -5.848 386 HB2 GLU 49 HB2 GLU 49 9.943 6.780 -7.037 387 HB3 GLU 49 HB3 GLU 49 8.931 7.516 -8.272 388 HG2 GLU 49 HG2 GLU 49 7.960 8.979 -6.506 389 HG3 GLU 49 HG3 GLU 49 9.146 8.317 -5.382 390 H LEU 50 H LEU 50 5.974 6.454 -5.225 391 HA LEU 50 HA LEU 50 4.001 7.466 -7.083 392 HB2 LEU 50 HB2 LEU 50 3.820 7.146 -4.085 393 HB3 LEU 50 HB3 LEU 50 2.481 7.418 -5.183 394 HG LEU 50 HG LEU 50 4.210 4.946 -5.074 395 HD11 LEU 50 2HD1 LEU 50 2.177 3.850 -4.292 396 HD12 LEU 50 1HD1 LEU 50 1.329 5.396 -4.313 397 HD13 LEU 50 3HD1 LEU 50 2.670 5.141 -3.196 398 HD21 LEU 50 3HD2 LEU 50 2.619 4.024 -6.707 399 HD22 LEU 50 2HD2 LEU 50 3.511 5.401 -7.355 400 HD23 LEU 50 1HD2 LEU 50 1.841 5.603 -6.825 401 H THR 51 H THR 51 3.845 9.534 -7.599 402 HA THR 51 HA THR 51 5.250 11.525 -6.043 403 HB THR 51 HB THR 51 4.471 13.114 -7.808 404 HG1 THR 51 HG1 THR 51 3.043 10.820 -8.587 405 HG21 THR 51 3HG2 THR 51 6.611 11.989 -8.041 406 HG22 THR 51 1HG2 THR 51 5.835 12.159 -9.615 407 HG23 THR 51 2HG2 THR 51 5.821 10.601 -8.789 408 H GLU 52 H GLU 52 4.000 13.728 -5.858 409 HA GLU 52 HA GLU 52 2.072 13.509 -3.885 410 HB2 GLU 52 HB2 GLU 52 2.699 15.753 -5.797 411 HB3 GLU 52 HB3 GLU 52 1.492 15.915 -4.532 412 HG2 GLU 52 HG2 GLU 52 3.684 16.863 -3.928 413 HG3 GLU 52 HG3 GLU 52 3.146 15.597 -2.828 414 H LYS 53 H LYS 53 1.683 13.889 -7.363 415 HA LYS 53 HA LYS 53 -1.057 14.163 -7.565 416 HB2 LYS 53 HB2 LYS 53 0.335 14.339 -9.505 417 HB3 LYS 53 HB3 LYS 53 0.902 12.684 -9.324 418 HG2 LYS 53 HG2 LYS 53 -1.348 11.864 -9.828 419 HG3 LYS 53 HG3 LYS 53 -1.904 13.527 -10.022 420 HD2 LYS 53 HD2 LYS 53 -1.449 12.531 -12.187 421 HD3 LYS 53 HD3 LYS 53 -0.310 13.837 -11.859 422 HE2 LYS 53 HE2 LYS 53 0.908 12.019 -12.816 423 HE3 LYS 53 HE3 LYS 53 1.335 12.119 -11.110 424 HZ1 LYS 53 HZ1 LYS 53 -0.788 10.288 -12.047 425 HZ2 LYS 53 HZ2 LYS 53 0.126 10.207 -10.621 426 HZ3 LYS 53 HZ3 LYS 53 0.842 9.835 -12.107 427 H ASP 54 H ASP 54 0.781 11.111 -7.546 428 HA ASP 54 HA ASP 54 -1.505 9.450 -7.761 429 HB2 ASP 54 HB2 ASP 54 1.164 8.626 -6.611 430 HB3 ASP 54 HB3 ASP 54 -0.020 7.607 -7.420 431 H VAL 55 H VAL 55 0.406 10.607 -5.088 432 HA VAL 55 HA VAL 55 -0.779 9.006 -3.086 433 HB VAL 55 HB VAL 55 0.871 11.520 -3.027 434 HG11 VAL 55 2HG1 VAL 55 -0.557 11.661 -1.080 435 HG12 VAL 55 1HG1 VAL 55 1.082 11.208 -0.597 436 HG13 VAL 55 3HG1 VAL 55 -0.189 9.987 -0.666 437 HG21 VAL 55 3HG2 VAL 55 1.888 9.347 -3.639 438 HG22 VAL 55 2HG2 VAL 55 1.397 8.726 -2.060 439 HG23 VAL 55 1HG2 VAL 55 2.560 10.051 -2.166 440 H ASN 56 H ASN 56 -1.628 12.132 -4.456 441 HA ASN 56 HA ASN 56 -3.653 12.612 -2.465 442 HB2 ASN 56 HB2 ASN 56 -2.779 14.018 -4.952 443 HB3 ASN 56 HB3 ASN 56 -4.357 14.395 -4.265 444 HD21 ASN 56 1HD2 ASN 56 -0.918 14.540 -3.806 445 HD22 ASN 56 2HD2 ASN 56 -0.944 15.655 -2.480 446 H ILE 57 H ILE 57 -3.450 10.938 -5.472 447 HA ILE 57 HA ILE 57 -6.234 10.834 -6.033 448 HB ILE 57 HB ILE 57 -4.033 8.898 -6.786 449 HG12 ILE 57 2HG1 ILE 57 -5.418 11.042 -8.413 450 HG13 ILE 57 3HG1 ILE 57 -3.816 11.197 -7.702 451 HG21 ILE 57 2HG2 ILE 57 -6.188 7.770 -6.825 452 HG22 ILE 57 1HG2 ILE 57 -5.594 8.026 -8.465 453 HG23 ILE 57 3HG2 ILE 57 -6.866 9.062 -7.817 454 HD11 ILE 57 3HD1 ILE 57 -3.013 9.369 -9.095 455 HD12 ILE 57 2HD1 ILE 57 -3.695 10.670 -10.071 456 HD13 ILE 57 1HD1 ILE 57 -4.621 9.194 -9.798 457 H GLY 58 H GLY 58 -4.044 8.440 -4.527 458 HA2 GLY 58 HA1 GLY 58 -6.215 6.795 -3.635 459 HA3 GLY 58 HA2 GLY 58 -4.528 6.639 -3.163 460 H GLU 59 H GLU 59 -7.273 6.764 -1.706 461 HA GLU 59 HA GLU 59 -6.777 9.060 0.011 462 HB2 GLU 59 HB2 GLU 59 -8.934 8.409 1.099 463 HB3 GLU 59 HB3 GLU 59 -9.061 8.797 -0.608 464 HG2 GLU 59 HG2 GLU 59 -8.916 6.294 -1.024 465 HG3 GLU 59 HG3 GLU 59 -9.199 6.110 0.707 466 H VAL 60 H VAL 60 -6.945 5.515 0.304 467 HA VAL 60 HA VAL 60 -5.938 5.688 3.025 468 HB VAL 60 HB VAL 60 -6.595 3.215 1.421 469 HG11 VAL 60 2HG1 VAL 60 -5.106 2.829 3.278 470 HG12 VAL 60 1HG1 VAL 60 -6.694 2.142 3.616 471 HG13 VAL 60 3HG1 VAL 60 -6.210 3.663 4.367 472 HG21 VAL 60 3HG2 VAL 60 -8.603 4.563 1.637 473 HG22 VAL 60 2HG2 VAL 60 -8.332 4.719 3.375 474 HG23 VAL 60 1HG2 VAL 60 -8.702 3.139 2.680 475 H VAL 61 H VAL 61 -3.896 5.218 3.583 476 HA VAL 61 HA VAL 61 -2.063 4.324 1.454 477 HB VAL 61 HB VAL 61 -1.304 5.673 4.043 478 HG11 VAL 61 2HG1 VAL 61 0.249 5.207 1.508 479 HG12 VAL 61 1HG1 VAL 61 0.425 4.300 3.010 480 HG13 VAL 61 3HG1 VAL 61 0.841 6.013 2.961 481 HG21 VAL 61 3HG2 VAL 61 -0.957 7.715 2.730 482 HG22 VAL 61 2HG2 VAL 61 -2.649 7.217 2.742 483 HG23 VAL 61 1HG2 VAL 61 -1.650 6.915 1.320 484 H ILE 62 H ILE 62 -1.750 2.170 1.615 485 HA ILE 62 HA ILE 62 -1.769 0.932 4.263 486 HB ILE 62 HB ILE 62 -1.490 -0.342 1.527 487 HG12 ILE 62 2HG1 ILE 62 -3.871 -0.222 3.395 488 HG13 ILE 62 3HG1 ILE 62 -3.692 0.715 1.915 489 HG21 ILE 62 2HG2 ILE 62 -1.928 -2.458 2.691 490 HG22 ILE 62 1HG2 ILE 62 -1.908 -1.605 4.234 491 HG23 ILE 62 3HG2 ILE 62 -0.443 -1.692 3.256 492 HD11 ILE 62 3HD1 ILE 62 -3.677 -1.342 0.611 493 HD12 ILE 62 2HD1 ILE 62 -5.142 -1.204 1.583 494 HD13 ILE 62 1HD1 ILE 62 -3.844 -2.285 2.093 495 H PHE 63 H PHE 63 0.025 0.403 5.328 496 HA PHE 63 HA PHE 63 2.574 0.580 3.872 497 HB2 PHE 63 HB2 PHE 63 1.852 1.342 6.684 498 HB3 PHE 63 HB3 PHE 63 3.514 0.939 6.266 499 HD1 PHE 63 HD1 PHE 63 4.485 2.192 4.204 500 HD2 PHE 63 HD2 PHE 63 1.140 3.526 6.471 501 HE1 PHE 63 HE1 PHE 63 4.857 4.482 3.392 502 HE2 PHE 63 HE2 PHE 63 1.505 5.821 5.660 503 HZ PHE 63 HZ PHE 63 3.360 6.295 4.113 504 H ALA 64 H ALA 64 3.156 -1.400 3.366 505 HA ALA 64 HA ALA 64 3.258 -3.384 5.544 506 HB1 ALA 64 HB1 ALA 64 1.759 -4.095 3.732 507 HB2 ALA 64 HB2 ALA 64 3.073 -3.907 2.573 508 HB3 ALA 64 HB3 ALA 64 3.179 -5.132 3.836 509 H VAL 65 H VAL 65 5.272 -2.849 6.302 510 HA VAL 65 HA VAL 65 7.515 -3.096 4.437 511 HB VAL 65 HB VAL 65 8.561 -1.033 5.321 512 HG11 VAL 65 2HG1 VAL 65 7.190 0.572 4.086 513 HG12 VAL 65 1HG1 VAL 65 5.861 -0.586 4.057 514 HG13 VAL 65 3HG1 VAL 65 7.362 -0.944 3.203 515 HG21 VAL 65 3HG2 VAL 65 5.884 -0.602 6.641 516 HG22 VAL 65 2HG2 VAL 65 7.163 0.606 6.523 517 HG23 VAL 65 1HG2 VAL 65 7.426 -0.868 7.453 518 H ASP 66 H ASP 66 9.476 -3.626 5.359 519 HA ASP 66 HA ASP 66 9.463 -4.237 8.240 520 HB2 ASP 66 HB2 ASP 66 11.062 -5.293 5.933 521 HB3 ASP 66 HB3 ASP 66 11.756 -5.333 7.549 522 H THR 67 H THR 67 10.613 -2.089 5.882 523 HA THR 67 HA THR 67 12.559 -0.972 7.779 524 HB THR 67 HB THR 67 13.705 -2.134 5.892 525 HG1 THR 67 HG1 THR 67 15.178 -0.521 5.649 526 HG21 THR 67 3HG2 THR 67 12.059 -1.745 4.134 527 HG22 THR 67 1HG2 THR 67 13.643 -1.136 3.652 528 HG23 THR 67 2HG2 THR 67 12.393 -0.014 4.188 529 H LYS 68 H LYS 68 13.212 1.321 6.503 530 HA LYS 68 HA LYS 68 10.871 2.897 7.042 531 HB2 LYS 68 HB2 LYS 68 12.384 4.811 6.742 532 HB3 LYS 68 HB3 LYS 68 13.069 3.610 7.830 533 HG2 LYS 68 HG2 LYS 68 14.397 2.730 5.921 534 HG3 LYS 68 HG3 LYS 68 13.800 4.072 4.947 535 HD2 LYS 68 HD2 LYS 68 14.808 5.655 6.515 536 HD3 LYS 68 HD3 LYS 68 15.399 4.309 7.493 537 HE2 LYS 68 HE2 LYS 68 16.677 3.512 5.517 538 HE3 LYS 68 HE3 LYS 68 16.173 4.964 4.653 539 HZ1 LYS 68 HZ1 LYS 68 17.275 6.302 6.337 540 HZ2 LYS 68 HZ2 LYS 68 18.367 5.230 5.603 541 HZ3 LYS 68 HZ3 LYS 68 17.771 4.898 7.150 542 H VAL 69 H VAL 69 10.157 4.629 5.638 543 HA VAL 69 HA VAL 69 10.306 3.942 2.776 544 HB VAL 69 HB VAL 69 8.063 5.364 4.237 545 HG11 VAL 69 2HG1 VAL 69 8.266 6.040 1.898 546 HG12 VAL 69 1HG1 VAL 69 6.807 5.082 2.156 547 HG13 VAL 69 3HG1 VAL 69 8.221 4.348 1.400 548 HG21 VAL 69 3HG2 VAL 69 8.186 2.533 3.201 549 HG22 VAL 69 2HG2 VAL 69 6.761 3.320 3.877 550 HG23 VAL 69 1HG2 VAL 69 8.169 3.021 4.897 551 H ARG 70 H ARG 70 10.667 5.663 1.313 552 HA ARG 70 HA ARG 70 11.830 8.029 2.576 553 HB2 ARG 70 HB2 ARG 70 11.902 7.136 -0.310 554 HB3 ARG 70 HB3 ARG 70 12.744 8.534 0.344 555 HG2 ARG 70 HG2 ARG 70 13.828 6.806 1.950 556 HG3 ARG 70 HG3 ARG 70 13.309 5.630 0.740 557 HD2 ARG 70 HD2 ARG 70 15.557 6.289 0.228 558 HD3 ARG 70 HD3 ARG 70 14.485 6.989 -0.986 559 HE ARG 70 HE ARG 70 15.080 8.715 1.265 560 HH11 ARG 70 2HH1 ARG 70 15.975 7.750 -1.997 561 HH12 ARG 70 1HH1 ARG 70 16.862 9.218 -2.313 562 HH21 ARG 70 2HH2 ARG 70 16.242 10.629 0.843 563 HH22 ARG 70 1HH2 ARG 70 16.998 10.855 -0.707 564 H ASN 71 H ASN 71 9.301 7.159 0.265 565 HA ASN 71 HA ASN 71 8.586 9.907 -0.194 566 HB2 ASN 71 HB2 ASN 71 7.320 7.308 -1.045 567 HB3 ASN 71 HB3 ASN 71 6.600 8.879 -1.413 568 HD21 ASN 71 1HD2 ASN 71 7.603 6.870 -3.243 569 HD22 ASN 71 2HD2 ASN 71 8.865 7.638 -4.157 570 H LYS 72 H LYS 72 8.098 7.890 2.344 571 HA LYS 72 HA LYS 72 5.456 7.950 3.062 572 HB2 LYS 72 HB2 LYS 72 6.157 7.703 5.358 573 HB3 LYS 72 HB3 LYS 72 7.226 6.775 4.317 574 HG2 LYS 72 HG2 LYS 72 8.932 8.484 4.489 575 HG3 LYS 72 HG3 LYS 72 7.851 9.491 5.457 576 HD2 LYS 72 HD2 LYS 72 7.773 7.686 7.156 577 HD3 LYS 72 HD3 LYS 72 8.958 6.787 6.206 578 HE2 LYS 72 HE2 LYS 72 10.070 7.973 7.999 579 HE3 LYS 72 HE3 LYS 72 10.538 8.659 6.444 580 HZ1 LYS 72 HZ1 LYS 72 8.447 9.797 8.220 581 HZ2 LYS 72 HZ2 LYS 72 9.055 10.491 6.792 582 HZ3 LYS 72 HZ3 LYS 72 10.050 10.342 8.155 583 H GLU 73 H GLU 73 7.672 10.613 3.023 584 HA GLU 73 HA GLU 73 6.579 12.414 4.795 585 HB2 GLU 73 HB2 GLU 73 7.621 13.063 2.034 586 HB3 GLU 73 HB3 GLU 73 7.524 14.167 3.399 587 HG2 GLU 73 HG2 GLU 73 9.263 11.718 3.210 588 HG3 GLU 73 HG3 GLU 73 9.793 13.393 3.076 589 H ARG 74 H ARG 74 5.501 11.704 1.475 590 HA ARG 74 HA ARG 74 3.469 13.742 1.572 591 HB2 ARG 74 HB2 ARG 74 2.871 12.919 -0.662 592 HB3 ARG 74 HB3 ARG 74 4.599 13.218 -0.520 593 HG2 ARG 74 HG2 ARG 74 4.631 10.647 0.097 594 HG3 ARG 74 HG3 ARG 74 3.131 10.661 -0.834 595 HD2 ARG 74 HD2 ARG 74 5.005 10.148 -2.282 596 HD3 ARG 74 HD3 ARG 74 4.317 11.713 -2.687 597 HE ARG 74 HE ARG 74 6.387 12.192 -0.919 598 HH11 ARG 74 2HH1 ARG 74 6.042 10.762 -4.097 599 HH12 ARG 74 1HH1 ARG 74 7.543 11.410 -4.692 600 HH21 ARG 74 2HH2 ARG 74 8.380 13.019 -1.691 601 HH22 ARG 74 1HH2 ARG 74 8.882 12.674 -3.315 602 H PHE 75 H PHE 75 3.650 10.324 2.206 603 HA PHE 75 HA PHE 75 0.820 9.873 2.143 604 HB2 PHE 75 HB2 PHE 75 3.028 8.214 3.378 605 HB3 PHE 75 HB3 PHE 75 1.374 7.683 3.110 606 HD1 PHE 75 HD1 PHE 75 0.553 7.358 0.786 607 HD2 PHE 75 HD2 PHE 75 4.635 8.161 1.649 608 HE1 PHE 75 HE1 PHE 75 1.189 6.498 -1.428 609 HE2 PHE 75 HE2 PHE 75 5.278 7.307 -0.563 610 HZ PHE 75 HZ PHE 75 3.555 6.469 -2.106 611 H ASP 76 H ASP 76 3.168 10.857 4.520 612 HA ASP 76 HA ASP 76 1.679 10.262 6.848 613 HB2 ASP 76 HB2 ASP 76 4.117 10.723 6.840 614 HB3 ASP 76 HB3 ASP 76 3.776 12.407 6.457 615 H GLY 77 H GLY 77 0.040 11.277 7.803 616 HA2 GLY 77 HA1 GLY 77 -1.201 13.258 8.390 617 HA3 GLY 77 HA2 GLY 77 -0.673 13.986 6.876 618 H LYS 78 H LYS 78 -1.225 11.102 5.818 619 HA LYS 78 HA LYS 78 -4.061 11.560 5.239 620 HB2 LYS 78 HB2 LYS 78 -1.913 9.926 3.887 621 HB3 LYS 78 HB3 LYS 78 -3.615 9.777 3.464 622 HG2 LYS 78 HG2 LYS 78 -3.720 11.962 2.639 623 HG3 LYS 78 HG3 LYS 78 -2.221 12.429 3.438 624 HD2 LYS 78 HD2 LYS 78 -1.981 12.158 0.994 625 HD3 LYS 78 HD3 LYS 78 -0.933 11.085 1.916 626 HE2 LYS 78 HE2 LYS 78 -2.081 10.074 -0.074 627 HE3 LYS 78 HE3 LYS 78 -2.273 9.203 1.434 628 HZ1 LYS 78 HZ1 LYS 78 -4.265 11.054 0.216 629 HZ2 LYS 78 HZ2 LYS 78 -4.483 10.196 1.662 630 HZ3 LYS 78 HZ3 LYS 78 -4.349 9.367 0.192 631 H VAL 79 H VAL 79 -5.228 9.296 4.873 632 HA VAL 79 HA VAL 79 -5.081 8.053 7.493 633 HB VAL 79 HB VAL 79 -7.293 8.634 6.718 634 HG11 VAL 79 2HG1 VAL 79 -8.319 7.543 4.781 635 HG12 VAL 79 1HG1 VAL 79 -6.770 6.790 4.402 636 HG13 VAL 79 3HG1 VAL 79 -6.938 8.544 4.332 637 HG21 VAL 79 3HG2 VAL 79 -6.887 5.650 6.720 638 HG22 VAL 79 2HG2 VAL 79 -8.426 6.475 6.971 639 HG23 VAL 79 1HG2 VAL 79 -7.117 6.676 8.136 640 H VAL 80 H VAL 80 -4.067 6.175 7.911 641 HA VAL 80 HA VAL 80 -3.140 4.669 5.551 642 HB VAL 80 HB VAL 80 -0.982 4.393 6.434 643 HG11 VAL 80 2HG1 VAL 80 -1.335 6.592 5.455 644 HG12 VAL 80 1HG1 VAL 80 -0.142 6.661 6.750 645 HG13 VAL 80 3HG1 VAL 80 -1.785 7.235 7.035 646 HG21 VAL 80 3HG2 VAL 80 -1.528 3.888 8.725 647 HG22 VAL 80 2HG2 VAL 80 -1.978 5.567 9.024 648 HG23 VAL 80 1HG2 VAL 80 -0.299 5.153 8.672 649 H LEU 81 H LEU 81 -2.521 2.489 5.906 650 HA LEU 81 HA LEU 81 -3.659 1.205 8.296 651 HB2 LEU 81 HB2 LEU 81 -5.120 0.957 6.259 652 HB3 LEU 81 HB3 LEU 81 -3.802 0.114 5.476 653 HG LEU 81 HG LEU 81 -5.724 -1.266 6.506 654 HD11 LEU 81 2HD1 LEU 81 -2.858 -1.924 7.158 655 HD12 LEU 81 1HD1 LEU 81 -3.699 -2.283 5.650 656 HD13 LEU 81 3HD1 LEU 81 -4.196 -3.072 7.148 657 HD21 LEU 81 3HD2 LEU 81 -5.783 -0.126 8.666 658 HD22 LEU 81 2HD2 LEU 81 -4.141 -0.672 9.003 659 HD23 LEU 81 1HD2 LEU 81 -5.448 -1.847 8.857 660 H GLU 82 H GLU 82 -1.867 0.636 9.362 661 HA GLU 82 HA GLU 82 0.535 -0.135 7.883 662 HB2 GLU 82 HB2 GLU 82 0.606 1.565 9.707 663 HB3 GLU 82 HB3 GLU 82 0.159 0.303 10.846 664 HG2 GLU 82 HG2 GLU 82 2.225 -0.932 10.087 665 HG3 GLU 82 HG3 GLU 82 2.688 0.554 9.259 666 H VAL 83 H VAL 83 1.039 -2.206 7.568 667 HA VAL 83 HA VAL 83 0.418 -4.185 9.641 668 HB VAL 83 HB VAL 83 -0.198 -5.841 7.823 669 HG11 VAL 83 2HG1 VAL 83 -2.533 -5.150 7.719 670 HG12 VAL 83 1HG1 VAL 83 -2.084 -3.529 8.251 671 HG13 VAL 83 3HG1 VAL 83 -1.865 -4.906 9.333 672 HG21 VAL 83 3HG2 VAL 83 0.635 -4.566 5.912 673 HG22 VAL 83 2HG2 VAL 83 -0.591 -3.330 6.196 674 HG23 VAL 83 1HG2 VAL 83 -1.074 -4.959 5.723 675 HA PRO 84 HA PRO 84 4.454 -5.871 8.629 676 HB2 PRO 84 HB2 PRO 84 3.243 -8.567 8.486 677 HB3 PRO 84 HB3 PRO 84 4.528 -7.968 9.539 678 HG2 PRO 84 HG2 PRO 84 2.079 -8.462 10.494 679 HG3 PRO 84 HG3 PRO 84 3.044 -7.096 11.084 680 HD2 PRO 84 HD2 PRO 84 0.758 -7.109 9.152 681 HD3 PRO 84 HD3 PRO 84 1.134 -5.955 10.449 682 H VAL 85 H VAL 85 5.620 -6.581 6.832 683 HA VAL 85 HA VAL 85 4.366 -6.203 4.328 684 HB VAL 85 HB VAL 85 6.758 -5.730 4.775 685 HG11 VAL 85 2HG1 VAL 85 7.064 -8.723 4.683 686 HG12 VAL 85 1HG1 VAL 85 7.318 -7.686 6.087 687 HG13 VAL 85 3HG1 VAL 85 8.386 -7.556 4.690 688 HG21 VAL 85 3HG2 VAL 85 7.617 -6.533 2.616 689 HG22 VAL 85 2HG2 VAL 85 5.987 -5.870 2.486 690 HG23 VAL 85 1HG2 VAL 85 6.231 -7.616 2.486 691 H SER 86 H SER 86 4.855 -9.011 6.264 692 HA SER 86 HA SER 86 4.540 -10.951 4.196 693 HB2 SER 86 HB2 SER 86 4.046 -12.406 6.322 694 HB3 SER 86 HB3 SER 86 5.671 -11.781 6.040 695 HG SER 86 HG SER 86 4.160 -11.386 8.153 696 H ALA 87 H ALA 87 2.358 -8.950 5.911 697 HA ALA 87 HA ALA 87 0.163 -10.696 6.183 698 HB1 ALA 87 HB1 ALA 87 -1.173 -8.736 6.635 699 HB2 ALA 87 HB2 ALA 87 0.378 -8.624 7.466 700 HB3 ALA 87 HB3 ALA 87 0.095 -7.692 5.995 701 HA PRO 88 HA PRO 88 -1.690 -8.709 2.159 702 HB2 PRO 88 HB2 PRO 88 0.679 -7.750 0.690 703 HB3 PRO 88 HB3 PRO 88 -0.875 -6.955 0.959 704 HG2 PRO 88 HG2 PRO 88 1.339 -6.129 2.208 705 HG3 PRO 88 HG3 PRO 88 -0.238 -6.117 3.020 706 HD2 PRO 88 HD2 PRO 88 2.009 -8.086 3.270 707 HD3 PRO 88 HD3 PRO 88 0.991 -7.372 4.540 708 H ILE 89 H ILE 89 0.982 -10.705 2.507 709 HA ILE 89 HA ILE 89 0.891 -11.838 -0.151 710 HB ILE 89 HB ILE 89 2.299 -12.790 2.354 711 HG12 ILE 89 2HG1 ILE 89 3.380 -11.415 -0.117 712 HG13 ILE 89 3HG1 ILE 89 3.106 -10.630 1.433 713 HG21 ILE 89 2HG2 ILE 89 2.559 -13.776 -0.485 714 HG22 ILE 89 1HG2 ILE 89 1.849 -14.661 0.866 715 HG23 ILE 89 3HG2 ILE 89 3.570 -14.273 0.872 716 HD11 ILE 89 3HD1 ILE 89 5.446 -11.161 1.138 717 HD12 ILE 89 2HD1 ILE 89 5.051 -12.861 0.893 718 HD13 ILE 89 1HD1 ILE 89 4.766 -12.108 2.462 719 H LYS 90 H LYS 90 -0.156 -12.718 3.113 720 HA LYS 90 HA LYS 90 -1.449 -15.123 2.067 721 HB2 LYS 90 HB2 LYS 90 -0.011 -15.309 4.069 722 HB3 LYS 90 HB3 LYS 90 -1.076 -14.206 4.927 723 HG2 LYS 90 HG2 LYS 90 -1.559 -16.465 5.583 724 HG3 LYS 90 HG3 LYS 90 -2.918 -15.820 4.658 725 HD2 LYS 90 HD2 LYS 90 -1.979 -16.957 2.638 726 HD3 LYS 90 HD3 LYS 90 -0.784 -17.720 3.690 727 HE2 LYS 90 HE2 LYS 90 -2.631 -19.236 3.311 728 HE3 LYS 90 HE3 LYS 90 -2.619 -18.721 4.997 729 HZ1 LYS 90 HZ1 LYS 90 -4.356 -17.123 4.491 730 HZ2 LYS 90 HZ2 LYS 90 -4.853 -18.687 4.075 731 HZ3 LYS 90 HZ3 LYS 90 -4.362 -17.603 2.862 732 H ASP 91 H ASP 91 -2.215 -11.976 3.335 733 HA ASP 91 HA ASP 91 -5.078 -12.641 3.203 734 HB2 ASP 91 HB2 ASP 91 -3.539 -11.580 5.494 735 HB3 ASP 91 HB3 ASP 91 -5.078 -10.787 5.176 736 H ALA 92 H ALA 92 -3.762 -11.435 1.107 737 HA ALA 92 HA ALA 92 -3.502 -8.683 1.082 738 HB1 ALA 92 HB1 ALA 92 -2.792 -10.134 -0.752 739 HB2 ALA 92 HB2 ALA 92 -4.480 -10.430 -1.172 740 HB3 ALA 92 HB3 ALA 92 -3.803 -8.809 -1.332 741 H GLU 93 H GLU 93 -6.416 -10.563 0.211 742 HA GLU 93 HA GLU 93 -8.074 -8.363 -0.330 743 HB2 GLU 93 HB2 GLU 93 -9.128 -10.900 0.899 744 HB3 GLU 93 HB3 GLU 93 -9.908 -9.845 -0.267 745 HG2 GLU 93 HG2 GLU 93 -9.343 -11.628 -1.578 746 HG3 GLU 93 HG3 GLU 93 -7.949 -10.575 -1.819 747 H LYS 94 H LYS 94 -7.176 -9.898 2.667 748 HA LYS 94 HA LYS 94 -9.221 -8.733 4.277 749 HB2 LYS 94 HB2 LYS 94 -7.719 -10.819 4.705 750 HB3 LYS 94 HB3 LYS 94 -6.561 -9.652 5.323 751 HG2 LYS 94 HG2 LYS 94 -7.799 -10.553 7.152 752 HG3 LYS 94 HG3 LYS 94 -8.280 -8.871 6.925 753 HD2 LYS 94 HD2 LYS 94 -10.204 -10.347 7.352 754 HD3 LYS 94 HD3 LYS 94 -10.293 -9.567 5.772 755 HE2 LYS 94 HE2 LYS 94 -10.943 -11.921 5.644 756 HE3 LYS 94 HE3 LYS 94 -9.485 -11.607 4.707 757 HZ1 LYS 94 HZ1 LYS 94 -9.370 -13.663 6.024 758 HZ2 LYS 94 HZ2 LYS 94 -9.513 -12.756 7.448 759 HZ3 LYS 94 HZ3 LYS 94 -8.155 -12.558 6.449 760 H VAL 95 H VAL 95 -5.873 -7.946 3.501 761 HA VAL 95 HA VAL 95 -5.588 -5.706 5.183 762 HB VAL 95 HB VAL 95 -4.243 -6.224 2.519 763 HG11 VAL 95 2HG1 VAL 95 -3.419 -4.443 4.810 764 HG12 VAL 95 1HG1 VAL 95 -4.015 -3.907 3.239 765 HG13 VAL 95 3HG1 VAL 95 -2.474 -4.758 3.355 766 HG21 VAL 95 3HG2 VAL 95 -2.429 -7.198 3.819 767 HG22 VAL 95 2HG2 VAL 95 -3.937 -8.069 4.102 768 HG23 VAL 95 1HG2 VAL 95 -3.335 -6.932 5.309 769 H ILE 96 H ILE 96 -6.793 -6.062 1.886 770 HA ILE 96 HA ILE 96 -7.185 -3.332 1.313 771 HB ILE 96 HB ILE 96 -8.761 -5.709 0.298 772 HG12 ILE 96 2HG1 ILE 96 -6.386 -4.294 -0.936 773 HG13 ILE 96 3HG1 ILE 96 -6.295 -5.828 -0.074 774 HG21 ILE 96 2HG2 ILE 96 -8.471 -2.928 -0.837 775 HG22 ILE 96 1HG2 ILE 96 -9.922 -3.598 -0.092 776 HG23 ILE 96 3HG2 ILE 96 -9.318 -4.270 -1.607 777 HD11 ILE 96 3HD1 ILE 96 -6.306 -6.154 -2.480 778 HD12 ILE 96 2HD1 ILE 96 -7.851 -5.312 -2.597 779 HD13 ILE 96 1HD1 ILE 96 -7.748 -6.850 -1.740 780 H ASN 97 H ASN 97 -9.291 -5.761 2.793 781 HA ASN 97 HA ASN 97 -11.532 -4.099 3.181 782 HB2 ASN 97 HB2 ASN 97 -10.583 -6.668 4.369 783 HB3 ASN 97 HB3 ASN 97 -11.868 -5.797 5.197 784 HD21 ASN 97 1HD2 ASN 97 -10.963 -7.511 2.306 785 HD22 ASN 97 2HD2 ASN 97 -12.571 -7.728 1.695 786 H ALA 98 H ALA 98 -8.645 -4.676 5.110 787 HA ALA 98 HA ALA 98 -9.416 -3.244 7.405 788 HB1 ALA 98 HB1 ALA 98 -6.626 -3.603 6.315 789 HB2 ALA 98 HB2 ALA 98 -7.066 -3.194 7.973 790 HB3 ALA 98 HB3 ALA 98 -7.485 -4.775 7.315 791 H ALA 99 H ALA 99 -7.799 -2.221 4.423 792 HA ALA 99 HA ALA 99 -7.322 0.450 5.099 793 HB1 ALA 99 HB1 ALA 99 -7.982 -0.725 2.397 794 HB2 ALA 99 HB2 ALA 99 -7.247 0.852 2.685 795 HB3 ALA 99 HB3 ALA 99 -6.374 -0.619 3.114 796 H LEU 100 H LEU 100 -10.127 -1.145 3.681 797 HA LEU 100 HA LEU 100 -11.710 1.167 3.351 798 HB2 LEU 100 HB2 LEU 100 -12.555 -1.704 3.754 799 HB3 LEU 100 HB3 LEU 100 -13.604 -0.411 3.204 800 HG LEU 100 HG LEU 100 -11.180 -1.438 1.722 801 HD11 LEU 100 2HD1 LEU 100 -12.998 -3.058 1.759 802 HD12 LEU 100 1HD1 LEU 100 -12.792 -2.369 0.150 803 HD13 LEU 100 3HD1 LEU 100 -14.119 -1.827 1.179 804 HD21 LEU 100 3HD2 LEU 100 -13.267 0.601 0.962 805 HD22 LEU 100 2HD2 LEU 100 -12.043 -0.055 -0.126 806 HD23 LEU 100 1HD2 LEU 100 -11.558 0.907 1.270 807 H ALA 101 H ALA 101 -11.045 -0.884 6.083 808 HA ALA 101 HA ALA 101 -13.247 -0.050 7.674 809 HB1 ALA 101 HB1 ALA 101 -10.621 -1.258 8.528 810 HB2 ALA 101 HB2 ALA 101 -12.070 -1.114 9.525 811 HB3 ALA 101 HB3 ALA 101 -12.084 -2.146 8.096 812 H LEU 102 H LEU 102 -10.262 1.431 6.871 813 HA LEU 102 HA LEU 102 -10.171 3.104 9.228 814 HB2 LEU 102 HB2 LEU 102 -8.488 2.698 6.828 815 HB3 LEU 102 HB3 LEU 102 -8.429 4.289 7.556 816 HG LEU 102 HG LEU 102 -6.621 2.819 8.351 817 HD11 LEU 102 2HD1 LEU 102 -7.391 4.610 9.782 818 HD12 LEU 102 1HD1 LEU 102 -6.942 3.205 10.751 819 HD13 LEU 102 3HD1 LEU 102 -8.643 3.566 10.452 820 HD21 LEU 102 3HD2 LEU 102 -7.748 0.675 8.230 821 HD22 LEU 102 2HD2 LEU 102 -8.860 1.166 9.508 822 HD23 LEU 102 1HD2 LEU 102 -7.146 0.960 9.864 823 H ILE 103 H ILE 103 -11.649 3.216 6.138 824 HA ILE 103 HA ILE 103 -12.130 6.109 6.431 825 HB ILE 103 HB ILE 103 -12.675 6.058 3.975 826 HG12 ILE 103 2HG1 ILE 103 -11.374 3.329 4.156 827 HG13 ILE 103 3HG1 ILE 103 -13.067 3.637 3.790 828 HG21 ILE 103 2HG2 ILE 103 -10.576 6.950 4.767 829 HG22 ILE 103 1HG2 ILE 103 -10.307 6.045 3.277 830 HG23 ILE 103 3HG2 ILE 103 -9.879 5.332 4.831 831 HD11 ILE 103 3HD1 ILE 103 -10.725 4.483 2.105 832 HD12 ILE 103 2HD1 ILE 103 -12.426 4.752 1.727 833 HD13 ILE 103 1HD1 ILE 103 -11.785 3.110 1.792 834 H ASP 104 H ASP 104 -13.624 3.003 6.213 835 HA ASP 104 HA ASP 104 -16.286 4.258 6.251 836 HB2 ASP 104 HB2 ASP 104 -15.545 3.318 3.953 837 HB3 ASP 104 HB3 ASP 104 -15.743 1.740 4.692 838 H GLU 105 H GLU 105 -14.606 1.153 6.446 839 HA GLU 105 HA GLU 105 -14.586 -0.523 7.952 840 HB2 GLU 105 HB2 GLU 105 -14.321 1.245 9.662 841 HB3 GLU 105 HB3 GLU 105 -16.073 1.341 9.808 842 HG2 GLU 105 HG2 GLU 105 -16.032 -1.112 10.400 843 HG3 GLU 105 HG3 GLU 105 -14.281 -0.960 10.519 844 H LYS 106 H LYS 106 -15.826 -2.005 6.917 845 HA LYS 106 HA LYS 106 -18.261 -2.557 8.379 846 HB2 LYS 106 HB2 LYS 106 -19.029 -1.357 6.341 847 HB3 LYS 106 HB3 LYS 106 -18.276 -2.608 5.358 848 HG2 LYS 106 HG2 LYS 106 -19.757 -4.274 6.223 849 HG3 LYS 106 HG3 LYS 106 -20.420 -3.141 7.400 850 HD2 LYS 106 HD2 LYS 106 -21.250 -1.755 5.512 851 HD3 LYS 106 HD3 LYS 106 -20.693 -3.009 4.399 852 HE2 LYS 106 HE2 LYS 106 -23.086 -3.224 4.891 853 HE3 LYS 106 HE3 LYS 106 -22.172 -4.627 5.442 854 HZ1 LYS 106 HZ1 LYS 106 -23.791 -3.912 7.092 855 HZ2 LYS 106 HZ2 LYS 106 -23.077 -2.374 7.158 856 HZ3 LYS 106 HZ3 LYS 106 -22.214 -3.735 7.687 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -16.098 -1.452 -7.855 2 H2 MET 1 H2 MET 1 -17.495 -1.606 -6.909 3 H3 MET 1 H3 MET 1 -16.018 -2.211 -6.337 4 HA MET 1 HA MET 1 -16.789 0.619 -6.735 5 HB2 MET 1 HB2 MET 1 -15.983 -0.971 -4.291 6 HB3 MET 1 HB3 MET 1 -16.210 0.772 -4.310 7 HG2 MET 1 HG2 MET 1 -18.547 0.485 -4.887 8 HG3 MET 1 HG3 MET 1 -18.332 -1.264 -4.941 9 HE1 MET 1 HE1 MET 1 -20.510 -0.614 -1.705 10 HE2 MET 1 HE2 MET 1 -20.557 0.309 -3.205 11 HE3 MET 1 HE3 MET 1 -20.444 -1.451 -3.256 12 H LYS 2 H LYS 2 -15.215 1.607 -7.795 13 HA LYS 2 HA LYS 2 -12.493 0.695 -7.589 14 HB2 LYS 2 HB2 LYS 2 -12.060 2.643 -9.167 15 HB3 LYS 2 HB3 LYS 2 -13.089 1.349 -9.762 16 HG2 LYS 2 HG2 LYS 2 -15.068 2.702 -9.251 17 HG3 LYS 2 HG3 LYS 2 -14.018 4.006 -8.691 18 HD2 LYS 2 HD2 LYS 2 -13.047 4.218 -10.896 19 HD3 LYS 2 HD3 LYS 2 -13.985 2.837 -11.471 20 HE2 LYS 2 HE2 LYS 2 -16.052 4.058 -11.100 21 HE3 LYS 2 HE3 LYS 2 -15.149 5.422 -10.443 22 HZ1 LYS 2 HZ1 LYS 2 -15.790 5.774 -12.758 23 HZ2 LYS 2 HZ2 LYS 2 -14.912 4.394 -13.219 24 HZ3 LYS 2 HZ3 LYS 2 -14.103 5.737 -12.578 25 H ARG 3 H ARG 3 -12.216 1.085 -5.326 26 HA ARG 3 HA ARG 3 -12.022 3.834 -4.436 27 HB2 ARG 3 HB2 ARG 3 -12.458 1.463 -3.129 28 HB3 ARG 3 HB3 ARG 3 -10.752 1.736 -2.804 29 HG2 ARG 3 HG2 ARG 3 -12.148 2.648 -1.031 30 HG3 ARG 3 HG3 ARG 3 -11.265 3.928 -1.871 31 HD2 ARG 3 HD2 ARG 3 -13.199 4.582 -3.082 32 HD3 ARG 3 HD3 ARG 3 -14.088 3.152 -2.569 33 HE ARG 3 HE ARG 3 -13.922 4.167 -0.251 34 HH11 ARG 3 2HH1 ARG 3 -13.880 6.141 -3.147 35 HH12 ARG 3 1HH1 ARG 3 -14.690 7.478 -2.400 36 HH21 ARG 3 2HH2 ARG 3 -14.968 5.910 0.736 37 HH22 ARG 3 1HH2 ARG 3 -15.280 7.362 -0.171 38 H LYS 4 H LYS 4 -10.174 5.010 -4.337 39 HA LYS 4 HA LYS 4 -7.865 3.866 -5.698 40 HB2 LYS 4 HB2 LYS 4 -7.107 6.336 -5.621 41 HB3 LYS 4 HB3 LYS 4 -8.408 5.874 -6.710 42 HG2 LYS 4 HG2 LYS 4 -9.911 6.551 -4.659 43 HG3 LYS 4 HG3 LYS 4 -8.492 7.508 -4.233 44 HD2 LYS 4 HD2 LYS 4 -9.952 8.882 -5.547 45 HD3 LYS 4 HD3 LYS 4 -8.541 8.481 -6.531 46 HE2 LYS 4 HE2 LYS 4 -9.865 6.629 -7.550 47 HE3 LYS 4 HE3 LYS 4 -11.274 7.208 -6.663 48 HZ1 LYS 4 HZ1 LYS 4 -11.406 8.118 -8.814 49 HZ2 LYS 4 HZ2 LYS 4 -9.779 8.593 -8.813 50 HZ3 LYS 4 HZ3 LYS 4 -10.892 9.394 -7.817 51 H ILE 5 H ILE 5 -6.250 3.085 -4.641 52 HA ILE 5 HA ILE 5 -5.676 4.049 -1.909 53 HB ILE 5 HB ILE 5 -5.580 1.166 -2.826 54 HG12 ILE 5 2HG1 ILE 5 -7.621 2.482 -1.019 55 HG13 ILE 5 3HG1 ILE 5 -7.902 2.070 -2.708 56 HG21 ILE 5 2HG2 ILE 5 -5.287 2.384 -0.081 57 HG22 ILE 5 1HG2 ILE 5 -3.996 1.677 -1.051 58 HG23 ILE 5 3HG2 ILE 5 -5.300 0.658 -0.443 59 HD11 ILE 5 3HD1 ILE 5 -7.582 -0.287 -2.196 60 HD12 ILE 5 2HD1 ILE 5 -8.866 0.414 -1.212 61 HD13 ILE 5 1HD1 ILE 5 -7.277 0.115 -0.505 62 H ILE 6 H ILE 6 -3.505 4.284 -1.435 63 HA ILE 6 HA ILE 6 -1.607 3.274 -3.444 64 HB ILE 6 HB ILE 6 0.006 4.980 -2.729 65 HG12 ILE 6 2HG1 ILE 6 -1.056 5.310 -0.423 66 HG13 ILE 6 3HG1 ILE 6 -0.475 6.753 -1.244 67 HG21 ILE 6 2HG2 ILE 6 -1.354 5.405 -4.669 68 HG22 ILE 6 1HG2 ILE 6 -1.087 6.910 -3.790 69 HG23 ILE 6 3HG2 ILE 6 -2.637 6.077 -3.663 70 HD11 ILE 6 3HD1 ILE 6 -2.610 7.138 -0.158 71 HD12 ILE 6 2HD1 ILE 6 -3.340 5.837 -1.100 72 HD13 ILE 6 1HD1 ILE 6 -2.759 7.292 -1.907 73 H ALA 7 H ALA 7 0.103 2.043 -2.760 74 HA ALA 7 HA ALA 7 0.285 1.505 0.117 75 HB1 ALA 7 HB1 ALA 7 -1.267 -0.144 -0.793 76 HB2 ALA 7 HB2 ALA 7 -0.057 -0.632 -1.980 77 HB3 ALA 7 HB3 ALA 7 0.234 -0.903 -0.263 78 H VAL 8 H VAL 8 2.319 1.268 0.809 79 HA VAL 8 HA VAL 8 4.414 1.020 -1.246 80 HB VAL 8 HB VAL 8 4.680 2.133 1.554 81 HG11 VAL 8 2HG1 VAL 8 6.737 1.115 0.730 82 HG12 VAL 8 1HG1 VAL 8 6.892 2.870 0.810 83 HG13 VAL 8 3HG1 VAL 8 6.634 2.079 -0.745 84 HG21 VAL 8 3HG2 VAL 8 3.339 3.609 0.165 85 HG22 VAL 8 2HG2 VAL 8 4.561 3.555 -1.106 86 HG23 VAL 8 1HG2 VAL 8 4.932 4.316 0.442 87 H THR 9 H THR 9 5.214 -0.950 -1.398 88 HA THR 9 HA THR 9 5.435 -2.613 1.006 89 HB THR 9 HB THR 9 6.068 -4.412 -0.687 90 HG1 THR 9 HG1 THR 9 6.153 -2.379 -2.324 91 HG21 THR 9 3HG2 THR 9 3.753 -4.817 -1.344 92 HG22 THR 9 1HG2 THR 9 3.339 -3.149 -0.949 93 HG23 THR 9 2HG2 THR 9 3.836 -4.260 0.327 94 H ALA 10 H ALA 10 7.313 -2.505 2.065 95 HA ALA 10 HA ALA 10 9.791 -2.253 0.513 96 HB1 ALA 10 HB1 ALA 10 9.138 -0.558 2.922 97 HB2 ALA 10 HB2 ALA 10 10.679 -0.584 2.063 98 HB3 ALA 10 HB3 ALA 10 9.226 0.002 1.252 99 H CYS 11 H CYS 11 10.837 -4.059 0.948 100 HA CYS 11 HA CYS 11 10.923 -4.974 3.743 101 HB2 CYS 11 HB2 CYS 11 9.656 -6.502 2.253 102 HB3 CYS 11 HB3 CYS 11 11.089 -6.679 1.247 103 HG CYS 11 HG CYS 11 10.708 -7.740 4.476 104 H ALA 12 H ALA 12 12.863 -5.052 4.651 105 HA ALA 12 HA ALA 12 15.231 -4.821 2.931 106 HB1 ALA 12 HB1 ALA 12 16.391 -4.009 4.938 107 HB2 ALA 12 HB2 ALA 12 14.971 -3.032 4.563 108 HB3 ALA 12 HB3 ALA 12 14.907 -4.215 5.869 109 H THR 13 H THR 13 13.488 -7.021 4.747 110 HA THR 13 HA THR 13 15.727 -8.594 5.680 111 HB THR 13 HB THR 13 12.811 -9.381 5.620 112 HG1 THR 13 HG1 THR 13 12.845 -8.561 7.836 113 HG21 THR 13 3HG2 THR 13 15.103 -10.250 7.388 114 HG22 THR 13 1HG2 THR 13 14.399 -11.194 6.075 115 HG23 THR 13 2HG2 THR 13 13.435 -10.815 7.503 116 H GLY 14 H GLY 14 13.061 -8.996 3.356 117 HA2 GLY 14 HA1 GLY 14 14.802 -10.782 1.793 118 HA3 GLY 14 HA2 GLY 14 13.154 -11.269 2.174 119 H VAL 15 H VAL 15 15.132 -9.677 -0.007 120 HA VAL 15 HA VAL 15 13.534 -7.640 -1.043 121 HB VAL 15 HB VAL 15 15.404 -9.437 -2.598 122 HG11 VAL 15 2HG1 VAL 15 15.656 -7.489 -4.087 123 HG12 VAL 15 1HG1 VAL 15 14.407 -6.645 -3.170 124 HG13 VAL 15 3HG1 VAL 15 14.004 -8.109 -4.068 125 HG21 VAL 15 3HG2 VAL 15 17.108 -7.744 -2.128 126 HG22 VAL 15 2HG2 VAL 15 16.499 -8.476 -0.644 127 HG23 VAL 15 1HG2 VAL 15 15.959 -6.865 -1.119 128 H ALA 16 H ALA 16 13.405 -11.107 -1.596 129 HA ALA 16 HA ALA 16 11.646 -11.197 -3.759 130 HB1 ALA 16 HB1 ALA 16 12.789 -13.169 -2.867 131 HB2 ALA 16 HB2 ALA 16 11.785 -13.099 -1.419 132 HB3 ALA 16 HB3 ALA 16 11.050 -13.434 -2.987 133 H HIS 17 H HIS 17 11.032 -10.625 -0.343 134 HA HIS 17 HA HIS 17 8.223 -10.999 -0.433 135 HB2 HIS 17 HB2 HIS 17 10.023 -9.555 1.497 136 HB3 HIS 17 HB3 HIS 17 8.275 -9.532 1.677 137 HD1 HIS 17 HD1 HIS 17 9.702 -10.724 3.958 138 HD2 HIS 17 HD2 HIS 17 8.670 -12.977 0.608 139 HE1 HIS 17 HE1 HIS 17 9.646 -13.114 4.732 140 HE2 HIS 17 HE2 HIS 17 9.108 -14.474 2.685 141 H THR 18 H THR 18 10.307 -8.253 -1.082 142 HA THR 18 HA THR 18 8.425 -6.197 -1.001 143 HB THR 18 HB THR 18 10.750 -6.403 -2.927 144 HG1 THR 18 HG1 THR 18 11.693 -5.094 -1.047 145 HG21 THR 18 3HG2 THR 18 10.776 -3.947 -2.738 146 HG22 THR 18 1HG2 THR 18 9.340 -4.019 -1.716 147 HG23 THR 18 2HG2 THR 18 9.252 -4.538 -3.399 148 H TYR 19 H TYR 19 9.467 -8.175 -3.775 149 HA TYR 19 HA TYR 19 7.496 -7.030 -5.515 150 HB2 TYR 19 HB2 TYR 19 9.327 -9.414 -5.825 151 HB3 TYR 19 HB3 TYR 19 8.230 -8.858 -7.085 152 HD1 TYR 19 HD1 TYR 19 11.298 -8.103 -5.222 153 HD2 TYR 19 HD2 TYR 19 8.666 -6.814 -8.304 154 HE1 TYR 19 HE1 TYR 19 13.000 -6.505 -6.001 155 HE2 TYR 19 HE2 TYR 19 10.358 -5.216 -9.093 156 HH TYR 19 HH TYR 19 12.295 -4.047 -8.324 157 H MET 20 H MET 20 7.752 -9.894 -3.537 158 HA MET 20 HA MET 20 5.569 -11.335 -4.568 159 HB2 MET 20 HB2 MET 20 7.254 -12.295 -3.046 160 HB3 MET 20 HB3 MET 20 6.645 -11.286 -1.741 161 HG2 MET 20 HG2 MET 20 4.469 -12.431 -1.908 162 HG3 MET 20 HG3 MET 20 5.149 -13.479 -3.156 163 HE1 MET 20 HE1 MET 20 8.117 -13.858 -2.092 164 HE2 MET 20 HE2 MET 20 7.977 -15.345 -1.155 165 HE3 MET 20 HE3 MET 20 7.158 -15.202 -2.712 166 H ALA 21 H ALA 21 5.773 -9.028 -1.870 167 HA ALA 21 HA ALA 21 3.064 -9.238 -1.107 168 HB1 ALA 21 HB1 ALA 21 5.001 -6.971 -0.646 169 HB2 ALA 21 HB2 ALA 21 3.469 -7.205 0.196 170 HB3 ALA 21 HB3 ALA 21 4.774 -8.372 0.400 171 H ALA 22 H ALA 22 4.778 -6.871 -3.128 172 HA ALA 22 HA ALA 22 2.635 -5.155 -3.619 173 HB1 ALA 22 HB1 ALA 22 3.903 -4.379 -5.557 174 HB2 ALA 22 HB2 ALA 22 4.951 -4.593 -4.153 175 HB3 ALA 22 HB3 ALA 22 4.953 -5.791 -5.446 176 H GLN 23 H GLN 23 3.662 -8.059 -5.380 177 HA GLN 23 HA GLN 23 1.713 -7.789 -7.439 178 HB2 GLN 23 HB2 GLN 23 3.333 -10.167 -6.514 179 HB3 GLN 23 HB3 GLN 23 2.259 -10.203 -7.906 180 HG2 GLN 23 HG2 GLN 23 3.585 -8.482 -8.993 181 HG3 GLN 23 HG3 GLN 23 4.646 -8.397 -7.586 182 HE21 GLN 23 1HE2 GLN 23 6.044 -10.102 -7.155 183 HE22 GLN 23 2HE2 GLN 23 6.467 -11.267 -8.362 184 H ALA 24 H ALA 24 1.850 -9.762 -4.474 185 HA ALA 24 HA ALA 24 -0.600 -11.108 -4.927 186 HB1 ALA 24 HB1 ALA 24 0.791 -10.575 -2.303 187 HB2 ALA 24 HB2 ALA 24 -0.452 -11.791 -2.598 188 HB3 ALA 24 HB3 ALA 24 1.122 -11.931 -3.381 189 H LEU 25 H LEU 25 0.240 -8.241 -3.054 190 HA LEU 25 HA LEU 25 -2.294 -7.652 -2.018 191 HB2 LEU 25 HB2 LEU 25 -0.329 -6.565 -1.183 192 HB3 LEU 25 HB3 LEU 25 0.035 -5.892 -2.757 193 HG LEU 25 HG LEU 25 -1.987 -4.470 -2.587 194 HD11 LEU 25 2HD1 LEU 25 -3.310 -5.837 -1.079 195 HD12 LEU 25 1HD1 LEU 25 -3.075 -4.224 -0.406 196 HD13 LEU 25 3HD1 LEU 25 -2.135 -5.582 0.210 197 HD21 LEU 25 3HD2 LEU 25 -0.071 -4.190 -0.278 198 HD22 LEU 25 2HD2 LEU 25 -1.039 -2.908 -1.005 199 HD23 LEU 25 1HD2 LEU 25 0.252 -3.677 -1.935 200 H LYS 26 H LYS 26 -0.730 -6.527 -5.008 201 HA LYS 26 HA LYS 26 -2.916 -4.929 -5.845 202 HB2 LYS 26 HB2 LYS 26 -0.611 -4.588 -6.637 203 HB3 LYS 26 HB3 LYS 26 -0.671 -6.133 -7.469 204 HG2 LYS 26 HG2 LYS 26 -2.224 -5.345 -9.048 205 HG3 LYS 26 HG3 LYS 26 -2.593 -3.914 -8.085 206 HD2 LYS 26 HD2 LYS 26 -1.154 -3.422 -10.034 207 HD3 LYS 26 HD3 LYS 26 -0.397 -3.010 -8.496 208 HE2 LYS 26 HE2 LYS 26 1.206 -4.081 -9.957 209 HE3 LYS 26 HE3 LYS 26 0.865 -5.111 -8.569 210 HZ1 LYS 26 HZ1 LYS 26 0.923 -6.386 -10.617 211 HZ2 LYS 26 HZ2 LYS 26 -0.303 -5.424 -11.285 212 HZ3 LYS 26 HZ3 LYS 26 -0.637 -6.416 -9.951 213 H LYS 27 H LYS 27 -2.083 -8.290 -6.267 214 HA LYS 27 HA LYS 27 -3.869 -8.941 -8.337 215 HB2 LYS 27 HB2 LYS 27 -2.023 -10.392 -7.381 216 HB3 LYS 27 HB3 LYS 27 -3.099 -10.737 -6.035 217 HG2 LYS 27 HG2 LYS 27 -3.150 -12.530 -7.656 218 HG3 LYS 27 HG3 LYS 27 -4.716 -11.719 -7.588 219 HD2 LYS 27 HD2 LYS 27 -4.292 -10.553 -9.618 220 HD3 LYS 27 HD3 LYS 27 -2.599 -11.050 -9.620 221 HE2 LYS 27 HE2 LYS 27 -4.941 -12.934 -9.856 222 HE3 LYS 27 HE3 LYS 27 -4.011 -12.316 -11.221 223 HZ1 LYS 27 HZ1 LYS 27 -2.930 -13.958 -8.991 224 HZ2 LYS 27 HZ2 LYS 27 -2.033 -13.362 -10.300 225 HZ3 LYS 27 HZ3 LYS 27 -3.255 -14.508 -10.562 226 H GLY 28 H GLY 28 -4.238 -9.060 -4.809 227 HA2 GLY 28 HA1 GLY 28 -6.961 -9.841 -4.791 228 HA3 GLY 28 HA2 GLY 28 -6.102 -9.062 -3.469 229 H ALA 29 H ALA 29 -5.373 -6.686 -4.752 230 HA ALA 29 HA ALA 29 -7.657 -5.110 -4.325 231 HB1 ALA 29 HB1 ALA 29 -5.360 -4.292 -4.074 232 HB2 ALA 29 HB2 ALA 29 -5.142 -4.381 -5.821 233 HB3 ALA 29 HB3 ALA 29 -6.313 -3.255 -5.133 234 H LYS 30 H LYS 30 -6.041 -6.051 -7.342 235 HA LYS 30 HA LYS 30 -7.843 -4.747 -9.076 236 HB2 LYS 30 HB2 LYS 30 -5.569 -5.556 -9.700 237 HB3 LYS 30 HB3 LYS 30 -6.167 -7.206 -9.615 238 HG2 LYS 30 HG2 LYS 30 -7.735 -6.735 -11.425 239 HG3 LYS 30 HG3 LYS 30 -7.137 -5.076 -11.509 240 HD2 LYS 30 HD2 LYS 30 -4.902 -5.918 -12.058 241 HD3 LYS 30 HD3 LYS 30 -5.511 -7.572 -11.989 242 HE2 LYS 30 HE2 LYS 30 -7.084 -7.035 -13.810 243 HE3 LYS 30 HE3 LYS 30 -6.392 -5.416 -13.898 244 HZ1 LYS 30 HZ1 LYS 30 -5.449 -6.887 -15.570 245 HZ2 LYS 30 HZ2 LYS 30 -4.907 -7.948 -14.359 246 HZ3 LYS 30 HZ3 LYS 30 -4.264 -6.383 -14.470 247 H LYS 31 H LYS 31 -7.851 -7.857 -7.502 248 HA LYS 31 HA LYS 31 -9.938 -9.063 -8.986 249 HB2 LYS 31 HB2 LYS 31 -8.285 -10.228 -7.479 250 HB3 LYS 31 HB3 LYS 31 -9.189 -9.588 -6.108 251 HG2 LYS 31 HG2 LYS 31 -11.121 -10.857 -6.699 252 HG3 LYS 31 HG3 LYS 31 -10.395 -11.352 -8.229 253 HD2 LYS 31 HD2 LYS 31 -10.280 -13.150 -6.578 254 HD3 LYS 31 HD3 LYS 31 -8.667 -12.585 -7.013 255 HE2 LYS 31 HE2 LYS 31 -8.756 -12.906 -4.636 256 HE3 LYS 31 HE3 LYS 31 -8.669 -11.177 -4.970 257 HZ1 LYS 31 HZ1 LYS 31 -10.290 -11.619 -3.260 258 HZ2 LYS 31 HZ2 LYS 31 -11.111 -12.709 -4.264 259 HZ3 LYS 31 HZ3 LYS 31 -11.082 -11.056 -4.652 260 H MET 32 H MET 32 -9.851 -6.832 -6.308 261 HA MET 32 HA MET 32 -12.628 -7.200 -5.617 262 HB2 MET 32 HB2 MET 32 -10.538 -5.215 -4.731 263 HB3 MET 32 HB3 MET 32 -12.192 -5.192 -4.142 264 HG2 MET 32 HG2 MET 32 -10.392 -7.587 -3.900 265 HG3 MET 32 HG3 MET 32 -10.513 -6.327 -2.663 266 HE1 MET 32 HE1 MET 32 -12.481 -9.222 -0.967 267 HE2 MET 32 HE2 MET 32 -11.009 -9.328 -1.929 268 HE3 MET 32 HE3 MET 32 -11.217 -8.007 -0.779 269 H GLY 33 H GLY 33 -10.739 -5.096 -7.642 270 HA2 GLY 33 HA1 GLY 33 -11.753 -4.072 -9.547 271 HA3 GLY 33 HA2 GLY 33 -13.257 -3.957 -8.647 272 H ASN 34 H ASN 34 -10.418 -3.104 -6.951 273 HA ASN 34 HA ASN 34 -11.135 -0.275 -7.199 274 HB2 ASN 34 HB2 ASN 34 -9.731 -0.020 -5.092 275 HB3 ASN 34 HB3 ASN 34 -11.250 -0.885 -4.920 276 HD21 ASN 34 1HD2 ASN 34 -7.779 -1.222 -5.084 277 HD22 ASN 34 2HD2 ASN 34 -7.712 -2.780 -4.356 278 H LEU 35 H LEU 35 -9.241 1.240 -6.875 279 HA LEU 35 HA LEU 35 -7.155 0.450 -8.786 280 HB2 LEU 35 HB2 LEU 35 -7.944 3.198 -7.805 281 HB3 LEU 35 HB3 LEU 35 -6.778 2.853 -9.067 282 HG LEU 35 HG LEU 35 -9.731 2.239 -9.228 283 HD11 LEU 35 2HD1 LEU 35 -9.308 4.636 -9.234 284 HD12 LEU 35 1HD1 LEU 35 -9.813 4.082 -10.831 285 HD13 LEU 35 3HD1 LEU 35 -8.113 4.434 -10.516 286 HD21 LEU 35 3HD2 LEU 35 -7.549 2.055 -11.305 287 HD22 LEU 35 2HD2 LEU 35 -9.270 1.796 -11.590 288 HD23 LEU 35 1HD2 LEU 35 -8.374 0.699 -10.541 289 H ILE 36 H ILE 36 -5.057 0.294 -8.139 290 HA ILE 36 HA ILE 36 -4.363 1.388 -5.519 291 HB ILE 36 HB ILE 36 -5.031 -0.967 -5.177 292 HG12 ILE 36 2HG1 ILE 36 -2.073 -0.482 -4.773 293 HG13 ILE 36 3HG1 ILE 36 -3.347 0.147 -3.735 294 HG21 ILE 36 2HG2 ILE 36 -4.395 -1.884 -7.328 295 HG22 ILE 36 1HG2 ILE 36 -3.599 -2.767 -6.025 296 HG23 ILE 36 3HG2 ILE 36 -2.692 -1.589 -6.974 297 HD11 ILE 36 3HD1 ILE 36 -2.284 -1.827 -2.780 298 HD12 ILE 36 2HD1 ILE 36 -2.753 -2.765 -4.199 299 HD13 ILE 36 1HD1 ILE 36 -3.989 -2.111 -3.125 300 H LYS 37 H LYS 37 -2.356 2.123 -5.315 301 HA LYS 37 HA LYS 37 -0.508 1.773 -7.591 302 HB2 LYS 37 HB2 LYS 37 -1.534 4.135 -6.424 303 HB3 LYS 37 HB3 LYS 37 0.133 4.022 -5.886 304 HG2 LYS 37 HG2 LYS 37 -0.879 4.128 -8.715 305 HG3 LYS 37 HG3 LYS 37 0.086 5.334 -7.864 306 HD2 LYS 37 HD2 LYS 37 1.829 3.440 -7.638 307 HD3 LYS 37 HD3 LYS 37 0.911 2.656 -8.926 308 HE2 LYS 37 HE2 LYS 37 2.358 5.288 -9.003 309 HE3 LYS 37 HE3 LYS 37 2.655 3.854 -9.980 310 HZ1 LYS 37 HZ1 LYS 37 0.429 5.796 -10.184 311 HZ2 LYS 37 HZ2 LYS 37 0.314 4.247 -10.869 312 HZ3 LYS 37 HZ3 LYS 37 1.530 5.308 -11.383 313 H VAL 38 H VAL 38 0.835 0.156 -6.909 314 HA VAL 38 HA VAL 38 1.746 0.161 -4.141 315 HB VAL 38 HB VAL 38 2.880 -2.020 -4.840 316 HG11 VAL 38 2HG1 VAL 38 -0.122 -1.788 -4.896 317 HG12 VAL 38 1HG1 VAL 38 0.896 -1.979 -3.468 318 HG13 VAL 38 3HG1 VAL 38 0.772 -3.286 -4.646 319 HG21 VAL 38 3HG2 VAL 38 1.906 -3.147 -6.791 320 HG22 VAL 38 2HG2 VAL 38 2.811 -1.703 -7.248 321 HG23 VAL 38 1HG2 VAL 38 1.047 -1.664 -7.207 322 H GLU 39 H GLU 39 3.666 0.809 -3.520 323 HA GLU 39 HA GLU 39 5.682 1.422 -5.567 324 HB2 GLU 39 HB2 GLU 39 5.011 3.274 -4.070 325 HB3 GLU 39 HB3 GLU 39 5.527 2.325 -2.682 326 HG2 GLU 39 HG2 GLU 39 7.818 2.330 -3.540 327 HG3 GLU 39 HG3 GLU 39 7.295 3.305 -4.913 328 H THR 40 H THR 40 7.651 0.456 -5.540 329 HA THR 40 HA THR 40 8.013 -1.713 -3.604 330 HB THR 40 HB THR 40 9.832 -2.264 -5.516 331 HG1 THR 40 HG1 THR 40 8.902 -1.726 -7.552 332 HG21 THR 40 3HG2 THR 40 8.184 -3.801 -6.491 333 HG22 THR 40 1HG2 THR 40 6.886 -2.923 -5.682 334 HG23 THR 40 2HG2 THR 40 8.090 -3.792 -4.730 335 H GLN 41 H GLN 41 9.314 -1.161 -1.983 336 HA GLN 41 HA GLN 41 11.788 0.313 -2.608 337 HB2 GLN 41 HB2 GLN 41 9.985 1.758 -1.566 338 HB3 GLN 41 HB3 GLN 41 10.106 0.754 -0.131 339 HG2 GLN 41 HG2 GLN 41 12.363 1.453 0.243 340 HG3 GLN 41 HG3 GLN 41 12.404 2.303 -1.301 341 HE21 GLN 41 1HE2 GLN 41 9.678 3.329 -0.967 342 HE22 GLN 41 2HE2 GLN 41 9.794 4.594 0.194 343 H GLY 42 H GLY 42 13.469 -0.028 -0.885 344 HA2 GLY 42 HA1 GLY 42 13.042 -2.372 0.797 345 HA3 GLY 42 HA2 GLY 42 14.250 -2.536 -0.470 346 H ALA 43 H ALA 43 15.948 -0.851 -0.506 347 HA ALA 43 HA ALA 43 16.470 0.595 1.932 348 HB1 ALA 43 HB1 ALA 43 18.620 -0.486 2.395 349 HB2 ALA 43 HB2 ALA 43 17.290 -1.636 2.542 350 HB3 ALA 43 HB3 ALA 43 18.316 -1.652 1.107 351 H THR 44 H THR 44 17.280 2.463 1.304 352 HA THR 44 HA THR 44 18.173 4.113 0.042 353 HB THR 44 HB THR 44 20.426 3.705 -0.934 354 HG1 THR 44 HG1 THR 44 19.624 1.130 -0.817 355 HG21 THR 44 3HG2 THR 44 21.540 3.197 1.193 356 HG22 THR 44 1HG2 THR 44 20.005 2.634 1.854 357 HG23 THR 44 2HG2 THR 44 20.202 4.328 1.401 358 H GLY 45 H GLY 45 16.166 2.407 -1.276 359 HA2 GLY 45 HA1 GLY 45 16.640 3.233 -3.996 360 HA3 GLY 45 HA2 GLY 45 16.708 1.492 -3.774 361 H ILE 46 H ILE 46 14.771 4.006 -4.587 362 HA ILE 46 HA ILE 46 12.311 2.532 -3.894 363 HB ILE 46 HB ILE 46 12.546 5.406 -4.817 364 HG12 ILE 46 2HG1 ILE 46 12.085 4.324 -2.026 365 HG13 ILE 46 3HG1 ILE 46 13.562 5.098 -2.591 366 HG21 ILE 46 2HG2 ILE 46 10.419 4.323 -5.353 367 HG22 ILE 46 1HG2 ILE 46 10.213 5.579 -4.133 368 HG23 ILE 46 3HG2 ILE 46 10.218 3.881 -3.657 369 HD11 ILE 46 3HD1 ILE 46 10.859 6.403 -2.400 370 HD12 ILE 46 2HD1 ILE 46 12.349 7.179 -2.937 371 HD13 ILE 46 1HD1 ILE 46 12.198 6.617 -1.271 372 H GLU 47 H GLU 47 11.206 1.584 -5.544 373 HA GLU 47 HA GLU 47 12.420 1.817 -8.182 374 HB2 GLU 47 HB2 GLU 47 12.051 -0.412 -7.244 375 HB3 GLU 47 HB3 GLU 47 10.328 -0.086 -7.126 376 HG2 GLU 47 HG2 GLU 47 10.188 0.083 -9.554 377 HG3 GLU 47 HG3 GLU 47 11.917 -0.241 -9.677 378 H ASN 48 H ASN 48 9.064 1.671 -6.962 379 HA ASN 48 HA ASN 48 7.999 2.623 -9.416 380 HB2 ASN 48 HB2 ASN 48 6.768 1.169 -7.782 381 HB3 ASN 48 HB3 ASN 48 6.615 2.571 -6.727 382 HD21 ASN 48 1HD2 ASN 48 5.604 1.082 -9.680 383 HD22 ASN 48 2HD2 ASN 48 4.264 2.129 -10.000 384 H GLU 49 H GLU 49 8.456 4.135 -6.241 385 HA GLU 49 HA GLU 49 8.606 6.289 -5.553 386 HB2 GLU 49 HB2 GLU 49 10.286 6.382 -7.432 387 HB3 GLU 49 HB3 GLU 49 9.006 6.999 -8.465 388 HG2 GLU 49 HG2 GLU 49 10.239 8.863 -7.750 389 HG3 GLU 49 HG3 GLU 49 8.742 8.882 -6.819 390 H LEU 50 H LEU 50 6.453 6.380 -4.885 391 HA LEU 50 HA LEU 50 4.294 6.886 -6.647 392 HB2 LEU 50 HB2 LEU 50 4.516 7.273 -3.663 393 HB3 LEU 50 HB3 LEU 50 3.020 7.410 -4.568 394 HG LEU 50 HG LEU 50 4.698 4.914 -4.293 395 HD11 LEU 50 2HD1 LEU 50 3.506 5.465 -2.256 396 HD12 LEU 50 1HD1 LEU 50 2.779 4.060 -3.038 397 HD13 LEU 50 3HD1 LEU 50 2.003 5.640 -3.163 398 HD21 LEU 50 3HD2 LEU 50 2.061 5.336 -5.692 399 HD22 LEU 50 2HD2 LEU 50 2.884 3.793 -5.468 400 HD23 LEU 50 1HD2 LEU 50 3.612 5.040 -6.479 401 H THR 51 H THR 51 4.036 8.624 -7.792 402 HA THR 51 HA THR 51 5.247 11.124 -7.162 403 HB THR 51 HB THR 51 3.597 11.734 -9.199 404 HG1 THR 51 HG1 THR 51 2.552 9.777 -9.410 405 HG21 THR 51 3HG2 THR 51 6.142 10.123 -9.425 406 HG22 THR 51 1HG2 THR 51 6.038 11.873 -9.227 407 HG23 THR 51 2HG2 THR 51 5.434 11.114 -10.700 408 H GLU 52 H GLU 52 4.101 13.155 -6.997 409 HA GLU 52 HA GLU 52 2.387 13.223 -4.832 410 HB2 GLU 52 HB2 GLU 52 2.789 15.299 -6.987 411 HB3 GLU 52 HB3 GLU 52 1.980 15.596 -5.454 412 HG2 GLU 52 HG2 GLU 52 4.846 14.761 -5.813 413 HG3 GLU 52 HG3 GLU 52 4.272 16.377 -5.403 414 H LYS 53 H LYS 53 1.576 13.326 -8.282 415 HA LYS 53 HA LYS 53 -1.138 13.842 -8.105 416 HB2 LYS 53 HB2 LYS 53 0.461 12.167 -10.018 417 HB3 LYS 53 HB3 LYS 53 -1.284 12.304 -10.177 418 HG2 LYS 53 HG2 LYS 53 -1.031 14.762 -10.326 419 HG3 LYS 53 HG3 LYS 53 0.721 14.545 -10.304 420 HD2 LYS 53 HD2 LYS 53 -0.200 14.813 -12.588 421 HD3 LYS 53 HD3 LYS 53 0.634 13.275 -12.355 422 HE2 LYS 53 HE2 LYS 53 -1.438 12.958 -13.597 423 HE3 LYS 53 HE3 LYS 53 -1.518 12.156 -12.030 424 HZ1 LYS 53 HZ1 LYS 53 -2.808 14.030 -11.184 425 HZ2 LYS 53 HZ2 LYS 53 -3.571 13.317 -12.518 426 HZ3 LYS 53 HZ3 LYS 53 -2.737 14.786 -12.704 427 H ASP 54 H ASP 54 0.409 10.636 -8.156 428 HA ASP 54 HA ASP 54 -1.947 9.165 -7.742 429 HB2 ASP 54 HB2 ASP 54 0.895 8.394 -7.051 430 HB3 ASP 54 HB3 ASP 54 -0.463 7.285 -7.218 431 H VAL 55 H VAL 55 0.322 10.620 -5.532 432 HA VAL 55 HA VAL 55 -0.549 9.392 -3.157 433 HB VAL 55 HB VAL 55 0.697 12.109 -3.596 434 HG11 VAL 55 2HG1 VAL 55 -0.451 12.049 -1.452 435 HG12 VAL 55 1HG1 VAL 55 1.299 12.028 -1.223 436 HG13 VAL 55 3HG1 VAL 55 0.366 10.541 -1.046 437 HG21 VAL 55 3HG2 VAL 55 2.078 10.245 -4.342 438 HG22 VAL 55 2HG2 VAL 55 1.890 9.469 -2.769 439 HG23 VAL 55 1HG2 VAL 55 2.759 10.997 -2.899 440 H ASN 56 H ASN 56 -1.654 12.276 -4.864 441 HA ASN 56 HA ASN 56 -3.587 12.898 -2.805 442 HB2 ASN 56 HB2 ASN 56 -2.943 14.143 -5.473 443 HB3 ASN 56 HB3 ASN 56 -4.338 14.645 -4.522 444 HD21 ASN 56 1HD2 ASN 56 -0.855 14.570 -4.687 445 HD22 ASN 56 2HD2 ASN 56 -0.579 15.741 -3.436 446 H ILE 57 H ILE 57 -3.455 11.019 -5.673 447 HA ILE 57 HA ILE 57 -6.272 10.865 -6.129 448 HB ILE 57 HB ILE 57 -4.015 9.018 -6.936 449 HG12 ILE 57 2HG1 ILE 57 -5.673 10.979 -8.538 450 HG13 ILE 57 3HG1 ILE 57 -4.029 11.258 -7.978 451 HG21 ILE 57 2HG2 ILE 57 -6.908 8.912 -7.785 452 HG22 ILE 57 1HG2 ILE 57 -6.088 7.740 -6.753 453 HG23 ILE 57 3HG2 ILE 57 -5.601 7.923 -8.438 454 HD11 ILE 57 3HD1 ILE 57 -4.069 10.636 -10.321 455 HD12 ILE 57 2HD1 ILE 57 -4.897 9.132 -9.921 456 HD13 ILE 57 1HD1 ILE 57 -3.247 9.405 -9.360 457 H GLY 58 H GLY 58 -3.989 8.443 -4.830 458 HA2 GLY 58 HA1 GLY 58 -5.868 6.716 -3.709 459 HA3 GLY 58 HA2 GLY 58 -4.207 6.894 -3.158 460 H GLU 59 H GLU 59 -7.164 6.815 -2.033 461 HA GLU 59 HA GLU 59 -7.164 9.208 -0.399 462 HB2 GLU 59 HB2 GLU 59 -9.050 6.842 -0.398 463 HB3 GLU 59 HB3 GLU 59 -9.323 8.389 0.397 464 HG2 GLU 59 HG2 GLU 59 -9.389 9.522 -1.723 465 HG3 GLU 59 HG3 GLU 59 -8.970 8.035 -2.568 466 H VAL 60 H VAL 60 -7.350 5.719 0.288 467 HA VAL 60 HA VAL 60 -6.082 6.198 2.874 468 HB VAL 60 HB VAL 60 -6.548 3.764 3.290 469 HG11 VAL 60 2HG1 VAL 60 -8.929 5.480 2.598 470 HG12 VAL 60 1HG1 VAL 60 -8.039 5.499 4.120 471 HG13 VAL 60 3HG1 VAL 60 -8.947 4.063 3.649 472 HG21 VAL 60 3HG2 VAL 60 -6.643 3.008 0.974 473 HG22 VAL 60 2HG2 VAL 60 -8.084 3.988 0.701 474 HG23 VAL 60 1HG2 VAL 60 -8.144 2.624 1.817 475 H VAL 61 H VAL 61 -4.175 5.222 3.486 476 HA VAL 61 HA VAL 61 -2.504 4.272 1.250 477 HB VAL 61 HB VAL 61 -1.504 5.455 3.838 478 HG11 VAL 61 2HG1 VAL 61 0.106 4.122 2.599 479 HG12 VAL 61 1HG1 VAL 61 0.552 5.827 2.569 480 HG13 VAL 61 3HG1 VAL 61 -0.188 5.085 1.151 481 HG21 VAL 61 3HG2 VAL 61 -2.891 7.136 2.764 482 HG22 VAL 61 2HG2 VAL 61 -2.025 6.906 1.245 483 HG23 VAL 61 1HG2 VAL 61 -1.190 7.577 2.645 484 H ILE 62 H ILE 62 -1.400 2.360 1.484 485 HA ILE 62 HA ILE 62 -1.702 0.984 4.082 486 HB ILE 62 HB ILE 62 -1.575 -0.284 1.331 487 HG12 ILE 62 2HG1 ILE 62 -3.844 -0.149 3.333 488 HG13 ILE 62 3HG1 ILE 62 -3.750 0.771 1.834 489 HG21 ILE 62 2HG2 ILE 62 -1.976 -2.403 2.515 490 HG22 ILE 62 1HG2 ILE 62 -1.844 -1.552 4.055 491 HG23 ILE 62 3HG2 ILE 62 -0.446 -1.659 2.984 492 HD11 ILE 62 3HD1 ILE 62 -3.839 -1.290 0.549 493 HD12 ILE 62 2HD1 ILE 62 -5.229 -1.154 1.627 494 HD13 ILE 62 1HD1 ILE 62 -3.893 -2.228 2.042 495 H PHE 63 H PHE 63 0.123 0.356 5.059 496 HA PHE 63 HA PHE 63 2.609 0.471 3.486 497 HB2 PHE 63 HB2 PHE 63 2.062 1.255 6.337 498 HB3 PHE 63 HB3 PHE 63 3.690 0.863 5.794 499 HD1 PHE 63 HD2 PHE 63 4.632 2.170 3.838 500 HD2 PHE 63 HD1 PHE 63 1.181 3.388 6.008 501 HE1 PHE 63 HE2 PHE 63 4.919 4.462 2.996 502 HE2 PHE 63 HE1 PHE 63 1.465 5.685 5.170 503 HZ PHE 63 HZ PHE 63 3.335 6.223 3.664 504 H ALA 64 H ALA 64 3.221 -1.506 3.030 505 HA ALA 64 HA ALA 64 3.166 -3.511 5.188 506 HB1 ALA 64 HB1 ALA 64 3.212 -3.975 2.205 507 HB2 ALA 64 HB2 ALA 64 3.183 -5.223 3.452 508 HB3 ALA 64 HB3 ALA 64 1.800 -4.147 3.250 509 H VAL 65 H VAL 65 5.124 -3.064 6.110 510 HA VAL 65 HA VAL 65 7.496 -3.295 4.415 511 HB VAL 65 HB VAL 65 8.482 -1.239 5.370 512 HG11 VAL 65 2HG1 VAL 65 7.174 0.375 4.070 513 HG12 VAL 65 1HG1 VAL 65 5.868 -0.803 3.936 514 HG13 VAL 65 3HG1 VAL 65 7.433 -1.129 3.185 515 HG21 VAL 65 3HG2 VAL 65 7.048 0.389 6.514 516 HG22 VAL 65 2HG2 VAL 65 7.189 -1.110 7.432 517 HG23 VAL 65 1HG2 VAL 65 5.724 -0.776 6.508 518 H ASP 66 H ASP 66 9.416 -3.736 5.517 519 HA ASP 66 HA ASP 66 9.158 -4.486 8.351 520 HB2 ASP 66 HB2 ASP 66 11.329 -5.075 6.324 521 HB3 ASP 66 HB3 ASP 66 11.454 -5.480 8.029 522 H THR 67 H THR 67 10.761 -2.378 6.116 523 HA THR 67 HA THR 67 12.327 -1.156 8.275 524 HB THR 67 HB THR 67 13.643 -2.076 6.400 525 HG1 THR 67 HG1 THR 67 14.562 0.162 5.767 526 HG21 THR 67 3HG2 THR 67 13.532 -0.999 4.185 527 HG22 THR 67 1HG2 THR 67 12.122 -0.083 4.721 528 HG23 THR 67 2HG2 THR 67 12.040 -1.842 4.604 529 H LYS 68 H LYS 68 12.873 1.268 7.226 530 HA LYS 68 HA LYS 68 10.393 2.673 7.623 531 HB2 LYS 68 HB2 LYS 68 11.768 4.690 7.511 532 HB3 LYS 68 HB3 LYS 68 12.523 3.501 8.566 533 HG2 LYS 68 HG2 LYS 68 14.169 2.975 6.981 534 HG3 LYS 68 HG3 LYS 68 13.285 3.765 5.676 535 HD2 LYS 68 HD2 LYS 68 13.636 5.936 6.854 536 HD3 LYS 68 HD3 LYS 68 14.665 5.082 8.007 537 HE2 LYS 68 HE2 LYS 68 16.189 4.449 6.248 538 HE3 LYS 68 HE3 LYS 68 15.126 5.150 5.028 539 HZ1 LYS 68 HZ1 LYS 68 16.530 6.646 7.174 540 HZ2 LYS 68 HZ2 LYS 68 15.496 7.328 6.014 541 HZ3 LYS 68 HZ3 LYS 68 16.961 6.620 5.534 542 H VAL 69 H VAL 69 9.520 4.236 6.162 543 HA VAL 69 HA VAL 69 10.247 3.802 3.334 544 HB VAL 69 HB VAL 69 7.606 4.775 4.452 545 HG11 VAL 69 2HG1 VAL 69 8.408 4.091 1.625 546 HG12 VAL 69 1HG1 VAL 69 8.077 5.705 2.256 547 HG13 VAL 69 3HG1 VAL 69 6.781 4.513 2.161 548 HG21 VAL 69 3HG2 VAL 69 7.979 2.414 4.941 549 HG22 VAL 69 2HG2 VAL 69 8.325 2.107 3.241 550 HG23 VAL 69 1HG2 VAL 69 6.710 2.616 3.734 551 H ARG 70 H ARG 70 10.973 5.544 2.197 552 HA ARG 70 HA ARG 70 11.461 8.033 3.463 553 HB2 ARG 70 HB2 ARG 70 12.841 7.327 1.594 554 HB3 ARG 70 HB3 ARG 70 11.441 7.301 0.526 555 HG2 ARG 70 HG2 ARG 70 11.223 9.803 1.127 556 HG3 ARG 70 HG3 ARG 70 12.893 9.652 1.673 557 HD2 ARG 70 HD2 ARG 70 13.554 8.860 -0.534 558 HD3 ARG 70 HD3 ARG 70 11.882 8.965 -1.082 559 HE ARG 70 HE ARG 70 13.051 11.431 -0.081 560 HH11 ARG 70 2HH1 ARG 70 12.173 9.467 -2.838 561 HH12 ARG 70 1HH1 ARG 70 12.402 10.738 -3.997 562 HH21 ARG 70 2HH2 ARG 70 13.331 13.140 -1.600 563 HH22 ARG 70 1HH2 ARG 70 13.066 12.827 -3.287 564 H ASN 71 H ASN 71 9.139 7.088 0.953 565 HA ASN 71 HA ASN 71 8.106 9.718 0.690 566 HB2 ASN 71 HB2 ASN 71 7.118 7.094 -0.417 567 HB3 ASN 71 HB3 ASN 71 6.447 8.665 -0.844 568 HD21 ASN 71 1HD2 ASN 71 7.748 6.749 -2.601 569 HD22 ASN 71 2HD2 ASN 71 9.107 7.600 -3.285 570 H LYS 72 H LYS 72 7.519 7.449 3.043 571 HA LYS 72 HA LYS 72 4.775 7.607 3.491 572 HB2 LYS 72 HB2 LYS 72 5.179 6.884 5.712 573 HB3 LYS 72 HB3 LYS 72 6.419 6.134 4.724 574 HG2 LYS 72 HG2 LYS 72 7.715 6.806 6.447 575 HG3 LYS 72 HG3 LYS 72 7.780 8.286 5.493 576 HD2 LYS 72 HD2 LYS 72 7.339 8.779 7.845 577 HD3 LYS 72 HD3 LYS 72 5.962 9.235 6.840 578 HE2 LYS 72 HE2 LYS 72 4.792 7.214 7.472 579 HE3 LYS 72 HE3 LYS 72 6.190 6.658 8.389 580 HZ1 LYS 72 HZ1 LYS 72 4.521 9.048 9.003 581 HZ2 LYS 72 HZ2 LYS 72 5.916 8.596 9.848 582 HZ3 LYS 72 HZ3 LYS 72 4.555 7.586 9.867 583 H GLU 73 H GLU 73 7.245 9.952 3.870 584 HA GLU 73 HA GLU 73 6.323 11.776 5.670 585 HB2 GLU 73 HB2 GLU 73 7.366 13.497 4.127 586 HB3 GLU 73 HB3 GLU 73 8.396 12.141 4.571 587 HG2 GLU 73 HG2 GLU 73 7.821 11.053 2.424 588 HG3 GLU 73 HG3 GLU 73 6.906 12.489 1.981 589 H ARG 74 H ARG 74 5.190 11.423 2.303 590 HA ARG 74 HA ARG 74 3.424 13.687 2.545 591 HB2 ARG 74 HB2 ARG 74 2.773 13.129 0.245 592 HB3 ARG 74 HB3 ARG 74 4.518 13.222 0.425 593 HG2 ARG 74 HG2 ARG 74 4.214 10.608 0.822 594 HG3 ARG 74 HG3 ARG 74 2.785 10.901 -0.173 595 HD2 ARG 74 HD2 ARG 74 4.625 10.300 -1.605 596 HD3 ARG 74 HD3 ARG 74 4.232 12.000 -1.834 597 HE ARG 74 HE ARG 74 6.208 12.069 0.015 598 HH11 ARG 74 2HH1 ARG 74 5.946 10.513 -3.111 599 HH12 ARG 74 1HH1 ARG 74 7.620 10.728 -3.500 600 HH21 ARG 74 2HH2 ARG 74 8.418 12.410 -0.514 601 HH22 ARG 74 1HH2 ARG 74 9.021 11.792 -2.025 602 H PHE 75 H PHE 75 3.193 10.237 2.892 603 HA PHE 75 HA PHE 75 0.311 10.206 2.874 604 HB2 PHE 75 HB2 PHE 75 2.238 8.052 3.756 605 HB3 PHE 75 HB3 PHE 75 0.542 7.849 3.341 606 HD1 PHE 75 HD2 PHE 75 -0.013 8.866 0.887 607 HD2 PHE 75 HD1 PHE 75 3.734 7.335 2.196 608 HE1 PHE 75 HE2 PHE 75 0.620 8.426 -1.446 609 HE2 PHE 75 HE1 PHE 75 4.376 6.897 -0.136 610 HZ PHE 75 HZ PHE 75 2.817 7.442 -1.960 611 H ASP 76 H ASP 76 2.732 10.984 5.055 612 HA ASP 76 HA ASP 76 1.770 9.924 7.468 613 HB2 ASP 76 HB2 ASP 76 4.056 10.855 7.078 614 HB3 ASP 76 HB3 ASP 76 3.355 12.470 7.092 615 H GLY 77 H GLY 77 0.972 12.847 5.712 616 HA2 GLY 77 HA1 GLY 77 -0.776 13.781 7.849 617 HA3 GLY 77 HA2 GLY 77 -0.465 14.597 6.322 618 H LYS 78 H LYS 78 -1.102 11.330 5.878 619 HA LYS 78 HA LYS 78 -3.917 11.889 5.216 620 HB2 LYS 78 HB2 LYS 78 -1.887 10.150 3.800 621 HB3 LYS 78 HB3 LYS 78 -3.613 10.077 3.465 622 HG2 LYS 78 HG2 LYS 78 -3.644 12.261 2.593 623 HG3 LYS 78 HG3 LYS 78 -2.058 12.638 3.265 624 HD2 LYS 78 HD2 LYS 78 -1.958 12.283 0.841 625 HD3 LYS 78 HD3 LYS 78 -1.013 11.074 1.712 626 HE2 LYS 78 HE2 LYS 78 -2.239 10.018 -0.072 627 HE3 LYS 78 HE3 LYS 78 -2.884 9.490 1.476 628 HZ1 LYS 78 HZ1 LYS 78 -4.590 10.048 -0.224 629 HZ2 LYS 78 HZ2 LYS 78 -4.085 11.667 -0.148 630 HZ3 LYS 78 HZ3 LYS 78 -4.755 10.924 1.220 631 H VAL 79 H VAL 79 -4.881 9.397 4.809 632 HA VAL 79 HA VAL 79 -4.642 8.269 7.495 633 HB VAL 79 HB VAL 79 -6.897 8.852 6.930 634 HG11 VAL 79 2HG1 VAL 79 -6.728 8.843 4.517 635 HG12 VAL 79 1HG1 VAL 79 -8.087 7.849 5.041 636 HG13 VAL 79 3HG1 VAL 79 -6.587 7.084 4.514 637 HG21 VAL 79 3HG2 VAL 79 -6.547 5.860 6.784 638 HG22 VAL 79 2HG2 VAL 79 -8.030 6.707 7.223 639 HG23 VAL 79 1HG2 VAL 79 -6.607 6.828 8.256 640 H VAL 80 H VAL 80 -3.496 6.477 7.804 641 HA VAL 80 HA VAL 80 -3.005 4.763 5.462 642 HB VAL 80 HB VAL 80 -0.756 4.449 6.036 643 HG11 VAL 80 2HG1 VAL 80 0.197 6.710 6.186 644 HG12 VAL 80 1HG1 VAL 80 -1.399 7.339 6.591 645 HG13 VAL 80 3HG1 VAL 80 -1.114 6.604 5.014 646 HG21 VAL 80 3HG2 VAL 80 -0.972 4.054 8.402 647 HG22 VAL 80 2HG2 VAL 80 -1.326 5.759 8.692 648 HG23 VAL 80 1HG2 VAL 80 0.271 5.273 8.121 649 H LEU 81 H LEU 81 -2.591 2.560 5.854 650 HA LEU 81 HA LEU 81 -3.314 1.538 8.521 651 HB2 LEU 81 HB2 LEU 81 -5.051 1.241 6.654 652 HB3 LEU 81 HB3 LEU 81 -3.918 0.137 5.913 653 HG LEU 81 HG LEU 81 -5.760 -0.944 7.220 654 HD11 LEU 81 2HD1 LEU 81 -4.336 -2.589 8.329 655 HD12 LEU 81 1HD1 LEU 81 -2.957 -1.500 8.175 656 HD13 LEU 81 3HD1 LEU 81 -3.721 -2.167 6.731 657 HD21 LEU 81 3HD2 LEU 81 -4.281 0.231 9.568 658 HD22 LEU 81 2HD2 LEU 81 -5.563 -0.976 9.666 659 HD23 LEU 81 1HD2 LEU 81 -5.916 0.637 9.048 660 H GLU 82 H GLU 82 -1.532 0.690 9.386 661 HA GLU 82 HA GLU 82 0.656 -0.110 7.623 662 HB2 GLU 82 HB2 GLU 82 1.064 1.554 9.426 663 HB3 GLU 82 HB3 GLU 82 0.652 0.329 10.616 664 HG2 GLU 82 HG2 GLU 82 2.539 -1.041 9.801 665 HG3 GLU 82 HG3 GLU 82 2.977 0.272 8.709 666 H VAL 83 H VAL 83 1.315 -2.149 7.397 667 HA VAL 83 HA VAL 83 0.606 -4.167 9.397 668 HB VAL 83 HB VAL 83 0.026 -5.783 7.555 669 HG11 VAL 83 2HG1 VAL 83 -1.730 -4.854 8.928 670 HG12 VAL 83 1HG1 VAL 83 -2.285 -4.979 7.258 671 HG13 VAL 83 3HG1 VAL 83 -1.802 -3.413 7.913 672 HG21 VAL 83 3HG2 VAL 83 -0.203 -3.276 5.892 673 HG22 VAL 83 2HG2 VAL 83 -0.703 -4.894 5.400 674 HG23 VAL 83 1HG2 VAL 83 1.003 -4.547 5.688 675 HA PRO 84 HA PRO 84 4.665 -5.827 8.406 676 HB2 PRO 84 HB2 PRO 84 3.465 -8.525 8.299 677 HB3 PRO 84 HB3 PRO 84 4.742 -7.908 9.352 678 HG2 PRO 84 HG2 PRO 84 2.288 -8.415 10.289 679 HG3 PRO 84 HG3 PRO 84 3.239 -7.042 10.884 680 HD2 PRO 84 HD2 PRO 84 0.976 -7.074 8.923 681 HD3 PRO 84 HD3 PRO 84 1.323 -5.916 10.224 682 H VAL 85 H VAL 85 5.817 -6.727 6.617 683 HA VAL 85 HA VAL 85 4.572 -6.262 4.120 684 HB VAL 85 HB VAL 85 7.012 -5.994 4.572 685 HG11 VAL 85 2HG1 VAL 85 7.420 -8.037 5.804 686 HG12 VAL 85 1HG1 VAL 85 8.469 -7.954 4.389 687 HG13 VAL 85 3HG1 VAL 85 7.048 -8.999 4.374 688 HG21 VAL 85 3HG2 VAL 85 7.760 -6.811 2.371 689 HG22 VAL 85 2HG2 VAL 85 6.212 -5.967 2.298 690 HG23 VAL 85 1HG2 VAL 85 6.261 -7.729 2.226 691 H SER 86 H SER 86 4.922 -9.107 6.055 692 HA SER 86 HA SER 86 4.432 -11.009 3.981 693 HB2 SER 86 HB2 SER 86 5.632 -11.569 6.074 694 HB3 SER 86 HB3 SER 86 4.145 -11.307 6.983 695 HG SER 86 HG SER 86 4.003 -13.400 6.628 696 H ALA 87 H ALA 87 2.447 -8.904 5.799 697 HA ALA 87 HA ALA 87 0.153 -10.490 6.124 698 HB1 ALA 87 HB1 ALA 87 0.295 -7.488 5.975 699 HB2 ALA 87 HB2 ALA 87 -1.019 -8.446 6.657 700 HB3 ALA 87 HB3 ALA 87 0.571 -8.458 7.421 701 HA PRO 88 HA PRO 88 -1.752 -8.394 2.233 702 HB2 PRO 88 HB2 PRO 88 -0.119 -7.208 0.424 703 HB3 PRO 88 HB3 PRO 88 -0.825 -6.339 1.793 704 HG2 PRO 88 HG2 PRO 88 1.908 -7.534 1.519 705 HG3 PRO 88 HG3 PRO 88 1.445 -5.941 2.146 706 HD2 PRO 88 HD2 PRO 88 2.020 -8.000 3.783 707 HD3 PRO 88 HD3 PRO 88 0.779 -6.797 4.188 708 H ILE 89 H ILE 89 1.048 -10.302 2.301 709 HA ILE 89 HA ILE 89 0.832 -11.348 -0.369 710 HB ILE 89 HB ILE 89 2.243 -12.518 2.038 711 HG12 ILE 89 2HG1 ILE 89 3.366 -10.851 -0.224 712 HG13 ILE 89 3HG1 ILE 89 3.037 -10.246 1.396 713 HG21 ILE 89 2HG2 ILE 89 1.814 -14.174 0.310 714 HG22 ILE 89 1HG2 ILE 89 3.534 -13.792 0.389 715 HG23 ILE 89 3HG2 ILE 89 2.539 -13.117 -0.901 716 HD11 ILE 89 3HD1 ILE 89 5.397 -10.733 1.086 717 HD12 ILE 89 2HD1 ILE 89 5.010 -12.407 0.684 718 HD13 ILE 89 1HD1 ILE 89 4.691 -11.792 2.307 719 H LYS 90 H LYS 90 -0.151 -12.317 2.870 720 HA LYS 90 HA LYS 90 -1.541 -14.659 1.804 721 HB2 LYS 90 HB2 LYS 90 -0.057 -14.881 3.788 722 HB3 LYS 90 HB3 LYS 90 -1.124 -13.802 4.673 723 HG2 LYS 90 HG2 LYS 90 -2.970 -15.450 4.261 724 HG3 LYS 90 HG3 LYS 90 -1.744 -16.554 3.634 725 HD2 LYS 90 HD2 LYS 90 -1.831 -15.367 6.407 726 HD3 LYS 90 HD3 LYS 90 -2.217 -17.033 5.973 727 HE2 LYS 90 HE2 LYS 90 0.074 -17.397 5.244 728 HE3 LYS 90 HE3 LYS 90 0.470 -15.712 5.586 729 HZ1 LYS 90 HZ1 LYS 90 -0.414 -17.711 7.603 730 HZ2 LYS 90 HZ2 LYS 90 0.023 -16.103 7.914 731 HZ3 LYS 90 HZ3 LYS 90 1.188 -17.200 7.364 732 H ASP 91 H ASP 91 -2.169 -11.646 3.551 733 HA ASP 91 HA ASP 91 -5.048 -12.292 3.534 734 HB2 ASP 91 HB2 ASP 91 -3.443 -10.696 5.543 735 HB3 ASP 91 HB3 ASP 91 -5.199 -10.812 5.551 736 H ALA 92 H ALA 92 -3.844 -11.025 1.331 737 HA ALA 92 HA ALA 92 -3.946 -8.236 1.337 738 HB1 ALA 92 HB1 ALA 92 -3.048 -9.564 -0.525 739 HB2 ALA 92 HB2 ALA 92 -4.684 -10.079 -0.938 740 HB3 ALA 92 HB3 ALA 92 -4.233 -8.380 -1.076 741 H GLU 93 H GLU 93 -6.531 -10.598 0.889 742 HA GLU 93 HA GLU 93 -8.630 -8.860 0.253 743 HB2 GLU 93 HB2 GLU 93 -8.785 -11.350 1.966 744 HB3 GLU 93 HB3 GLU 93 -10.092 -10.635 1.035 745 HG2 GLU 93 HG2 GLU 93 -7.596 -11.602 -0.304 746 HG3 GLU 93 HG3 GLU 93 -8.902 -12.711 0.113 747 H LYS 94 H LYS 94 -7.237 -9.791 3.344 748 HA LYS 94 HA LYS 94 -9.291 -8.587 4.933 749 HB2 LYS 94 HB2 LYS 94 -7.932 -10.512 5.708 750 HB3 LYS 94 HB3 LYS 94 -6.511 -9.479 5.727 751 HG2 LYS 94 HG2 LYS 94 -7.111 -9.453 7.932 752 HG3 LYS 94 HG3 LYS 94 -7.942 -8.017 7.341 753 HD2 LYS 94 HD2 LYS 94 -9.217 -10.735 7.648 754 HD3 LYS 94 HD3 LYS 94 -9.331 -9.438 8.834 755 HE2 LYS 94 HE2 LYS 94 -10.424 -8.020 7.147 756 HE3 LYS 94 HE3 LYS 94 -10.342 -9.351 5.993 757 HZ1 LYS 94 HZ1 LYS 94 -11.678 -10.672 7.600 758 HZ2 LYS 94 HZ2 LYS 94 -12.503 -9.340 6.953 759 HZ3 LYS 94 HZ3 LYS 94 -11.884 -9.268 8.531 760 H VAL 95 H VAL 95 -6.036 -7.710 3.909 761 HA VAL 95 HA VAL 95 -5.814 -5.362 5.462 762 HB VAL 95 HB VAL 95 -3.972 -6.668 4.285 763 HG11 VAL 95 2HG1 VAL 95 -3.285 -5.930 2.079 764 HG12 VAL 95 1HG1 VAL 95 -4.756 -4.962 1.955 765 HG13 VAL 95 3HG1 VAL 95 -4.863 -6.722 2.058 766 HG21 VAL 95 3HG2 VAL 95 -3.525 -4.622 5.494 767 HG22 VAL 95 2HG2 VAL 95 -3.978 -3.670 4.079 768 HG23 VAL 95 1HG2 VAL 95 -2.542 -4.693 4.032 769 H ILE 96 H ILE 96 -6.909 -5.979 2.185 770 HA ILE 96 HA ILE 96 -7.482 -3.359 1.379 771 HB ILE 96 HB ILE 96 -8.809 -5.979 0.647 772 HG12 ILE 96 2HG1 ILE 96 -6.955 -4.167 -0.919 773 HG13 ILE 96 3HG1 ILE 96 -6.438 -5.593 -0.024 774 HG21 ILE 96 2HG2 ILE 96 -10.450 -4.219 0.320 775 HG22 ILE 96 1HG2 ILE 96 -9.849 -4.782 -1.239 776 HG23 ILE 96 3HG2 ILE 96 -9.275 -3.254 -0.571 777 HD11 ILE 96 3HD1 ILE 96 -8.361 -5.576 -2.332 778 HD12 ILE 96 2HD1 ILE 96 -7.811 -7.000 -1.450 779 HD13 ILE 96 1HD1 ILE 96 -6.663 -6.053 -2.399 780 H ASN 97 H ASN 97 -9.595 -5.730 2.970 781 HA ASN 97 HA ASN 97 -11.844 -4.068 3.189 782 HB2 ASN 97 HB2 ASN 97 -10.942 -6.574 4.536 783 HB3 ASN 97 HB3 ASN 97 -12.289 -5.684 5.240 784 HD21 ASN 97 1HD2 ASN 97 -11.169 -7.480 2.467 785 HD22 ASN 97 2HD2 ASN 97 -12.732 -7.739 1.770 786 H ALA 98 H ALA 98 -9.052 -4.500 5.270 787 HA ALA 98 HA ALA 98 -10.027 -3.041 7.482 788 HB1 ALA 98 HB1 ALA 98 -7.158 -3.435 6.646 789 HB2 ALA 98 HB2 ALA 98 -7.734 -2.980 8.250 790 HB3 ALA 98 HB3 ALA 98 -8.106 -4.577 7.598 791 H ALA 99 H ALA 99 -8.286 -2.095 4.574 792 HA ALA 99 HA ALA 99 -7.688 0.556 5.303 793 HB1 ALA 99 HB1 ALA 99 -8.199 -0.581 2.554 794 HB2 ALA 99 HB2 ALA 99 -7.408 0.956 2.906 795 HB3 ALA 99 HB3 ALA 99 -6.649 -0.559 3.395 796 H LEU 100 H LEU 100 -10.477 -0.833 3.579 797 HA LEU 100 HA LEU 100 -11.867 1.581 3.187 798 HB2 LEU 100 HB2 LEU 100 -12.707 -1.289 3.311 799 HB3 LEU 100 HB3 LEU 100 -13.913 -0.029 3.215 800 HG LEU 100 HG LEU 100 -13.411 -1.016 1.024 801 HD11 LEU 100 2HD1 LEU 100 -13.106 1.080 -0.189 802 HD12 LEU 100 1HD1 LEU 100 -12.581 1.862 1.301 803 HD13 LEU 100 3HD1 LEU 100 -14.234 1.264 1.155 804 HD21 LEU 100 3HD2 LEU 100 -10.675 0.194 1.361 805 HD22 LEU 100 2HD2 LEU 100 -11.304 -0.586 -0.091 806 HD23 LEU 100 1HD2 LEU 100 -11.043 -1.531 1.376 807 H ALA 101 H ALA 101 -11.608 -0.538 5.942 808 HA ALA 101 HA ALA 101 -13.883 0.366 7.352 809 HB1 ALA 101 HB1 ALA 101 -12.878 -0.688 9.298 810 HB2 ALA 101 HB2 ALA 101 -12.728 -1.728 7.883 811 HB3 ALA 101 HB3 ALA 101 -11.335 -0.811 8.454 812 H LEU 102 H LEU 102 -10.871 1.856 6.727 813 HA LEU 102 HA LEU 102 -10.768 3.451 9.100 814 HB2 LEU 102 HB2 LEU 102 -9.396 3.808 6.438 815 HB3 LEU 102 HB3 LEU 102 -9.030 4.721 7.889 816 HG LEU 102 HG LEU 102 -8.666 1.743 7.553 817 HD11 LEU 102 2HD1 LEU 102 -6.282 2.254 7.625 818 HD12 LEU 102 1HD1 LEU 102 -6.648 3.978 7.700 819 HD13 LEU 102 3HD1 LEU 102 -7.065 3.049 6.259 820 HD21 LEU 102 3HD2 LEU 102 -9.240 2.374 9.848 821 HD22 LEU 102 2HD2 LEU 102 -7.935 3.561 9.848 822 HD23 LEU 102 1HD2 LEU 102 -7.562 1.840 9.723 823 H ILE 103 H ILE 103 -12.387 3.734 6.039 824 HA ILE 103 HA ILE 103 -13.215 6.453 6.791 825 HB ILE 103 HB ILE 103 -13.320 6.998 4.327 826 HG12 ILE 103 2HG1 ILE 103 -11.493 4.590 4.108 827 HG13 ILE 103 3HG1 ILE 103 -13.148 4.654 3.514 828 HG21 ILE 103 2HG2 ILE 103 -10.614 6.478 5.555 829 HG22 ILE 103 1HG2 ILE 103 -11.615 7.910 5.795 830 HG23 ILE 103 3HG2 ILE 103 -10.938 7.565 4.203 831 HD11 ILE 103 3HD1 ILE 103 -11.534 4.968 1.722 832 HD12 ILE 103 2HD1 ILE 103 -10.871 6.373 2.555 833 HD13 ILE 103 1HD1 ILE 103 -12.526 6.407 1.946 834 H ASP 104 H ASP 104 -14.073 3.620 4.802 835 HA ASP 104 HA ASP 104 -16.780 4.683 4.506 836 HB2 ASP 104 HB2 ASP 104 -15.342 2.409 3.139 837 HB3 ASP 104 HB3 ASP 104 -17.046 2.769 2.885 838 H GLU 105 H GLU 105 -15.263 1.562 5.309 839 HA GLU 105 HA GLU 105 -17.742 0.397 6.079 840 HB2 GLU 105 HB2 GLU 105 -14.900 -0.516 6.515 841 HB3 GLU 105 HB3 GLU 105 -16.322 -1.486 6.880 842 HG2 GLU 105 HG2 GLU 105 -15.571 -0.432 4.161 843 HG3 GLU 105 HG3 GLU 105 -15.331 -2.083 4.730 844 H LYS 106 H LYS 106 -15.195 2.042 7.773 845 HA LYS 106 HA LYS 106 -15.075 2.941 9.855 846 HB2 LYS 106 HB2 LYS 106 -17.333 3.791 9.204 847 HB3 LYS 106 HB3 LYS 106 -18.045 2.386 9.982 848 HG2 LYS 106 HG2 LYS 106 -17.109 3.110 12.129 849 HG3 LYS 106 HG3 LYS 106 -16.426 4.533 11.336 850 HD2 LYS 106 HD2 LYS 106 -18.711 5.201 10.662 851 HD3 LYS 106 HD3 LYS 106 -19.351 3.829 11.566 852 HE2 LYS 106 HE2 LYS 106 -19.534 5.842 12.891 853 HE3 LYS 106 HE3 LYS 106 -18.358 4.752 13.622 854 HZ1 LYS 106 HZ1 LYS 106 -16.578 6.060 12.770 855 HZ2 LYS 106 HZ2 LYS 106 -17.656 7.115 13.547 856 HZ3 LYS 106 HZ3 LYS 106 -17.636 7.020 11.852 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -13.547 -1.637 -4.117 2 H2 MET 1 H2 MET 1 -14.961 -2.557 -4.193 3 H3 MET 1 H3 MET 1 -15.049 -0.894 -3.884 4 HA MET 1 HA MET 1 -14.151 -2.185 -6.389 5 HB2 MET 1 HB2 MET 1 -16.597 -0.546 -5.695 6 HB3 MET 1 HB3 MET 1 -16.126 -0.935 -7.344 7 HG2 MET 1 HG2 MET 1 -16.259 -3.345 -6.738 8 HG3 MET 1 HG3 MET 1 -16.929 -2.860 -5.181 9 HE1 MET 1 HE1 MET 1 -19.071 -4.413 -5.633 10 HE2 MET 1 HE2 MET 1 -20.026 -4.326 -7.113 11 HE3 MET 1 HE3 MET 1 -18.355 -4.889 -7.172 12 H LYS 2 H LYS 2 -14.904 0.162 -7.896 13 HA LYS 2 HA LYS 2 -12.505 1.262 -8.369 14 HB2 LYS 2 HB2 LYS 2 -15.185 2.616 -8.611 15 HB3 LYS 2 HB3 LYS 2 -13.706 3.237 -9.326 16 HG2 LYS 2 HG2 LYS 2 -14.964 0.574 -9.953 17 HG3 LYS 2 HG3 LYS 2 -15.083 2.030 -10.943 18 HD2 LYS 2 HD2 LYS 2 -12.596 2.021 -11.129 19 HD3 LYS 2 HD3 LYS 2 -12.585 0.470 -10.288 20 HE2 LYS 2 HE2 LYS 2 -12.454 0.052 -12.642 21 HE3 LYS 2 HE3 LYS 2 -14.047 -0.446 -12.076 22 HZ1 LYS 2 HZ1 LYS 2 -13.421 2.110 -13.460 23 HZ2 LYS 2 HZ2 LYS 2 -14.959 1.634 -12.921 24 HZ3 LYS 2 HZ3 LYS 2 -14.187 0.768 -14.159 25 H ARG 3 H ARG 3 -11.250 1.800 -6.609 26 HA ARG 3 HA ARG 3 -11.595 4.558 -5.824 27 HB2 ARG 3 HB2 ARG 3 -12.723 3.087 -4.104 28 HB3 ARG 3 HB3 ARG 3 -11.138 2.445 -3.719 29 HG2 ARG 3 HG2 ARG 3 -11.862 4.207 -2.166 30 HG3 ARG 3 HG3 ARG 3 -10.371 4.612 -3.019 31 HD2 ARG 3 HD2 ARG 3 -11.776 6.556 -2.982 32 HD3 ARG 3 HD3 ARG 3 -11.715 5.932 -4.627 33 HE ARG 3 HE ARG 3 -13.942 4.920 -4.141 34 HH11 ARG 3 2HH1 ARG 3 -12.822 7.682 -2.318 35 HH12 ARG 3 1HH1 ARG 3 -14.413 8.298 -2.010 36 HH21 ARG 3 2HH2 ARG 3 -16.048 5.745 -3.771 37 HH22 ARG 3 1HH2 ARG 3 -16.243 7.209 -2.837 38 H LYS 4 H LYS 4 -9.623 5.571 -5.454 39 HA LYS 4 HA LYS 4 -7.266 4.132 -6.254 40 HB2 LYS 4 HB2 LYS 4 -7.683 6.986 -5.371 41 HB3 LYS 4 HB3 LYS 4 -6.114 6.331 -5.823 42 HG2 LYS 4 HG2 LYS 4 -8.537 6.457 -7.606 43 HG3 LYS 4 HG3 LYS 4 -7.163 7.566 -7.656 44 HD2 LYS 4 HD2 LYS 4 -6.982 4.584 -8.095 45 HD3 LYS 4 HD3 LYS 4 -7.075 5.779 -9.387 46 HE2 LYS 4 HE2 LYS 4 -4.910 5.728 -7.288 47 HE3 LYS 4 HE3 LYS 4 -4.766 4.963 -8.869 48 HZ1 LYS 4 HZ1 LYS 4 -5.218 7.204 -9.843 49 HZ2 LYS 4 HZ2 LYS 4 -3.748 7.079 -9.014 50 HZ3 LYS 4 HZ3 LYS 4 -5.060 7.860 -8.289 51 H ILE 5 H ILE 5 -6.023 3.017 -4.983 52 HA ILE 5 HA ILE 5 -5.707 3.865 -2.179 53 HB ILE 5 HB ILE 5 -5.757 1.016 -3.202 54 HG12 ILE 5 2HG1 ILE 5 -7.709 2.476 -1.406 55 HG13 ILE 5 3HG1 ILE 5 -7.997 2.056 -3.090 56 HG21 ILE 5 2HG2 ILE 5 -4.164 1.329 -1.375 57 HG22 ILE 5 1HG2 ILE 5 -5.546 0.363 -0.861 58 HG23 ILE 5 3HG2 ILE 5 -5.432 2.057 -0.388 59 HD11 ILE 5 3HD1 ILE 5 -7.578 0.113 -0.830 60 HD12 ILE 5 2HD1 ILE 5 -7.855 -0.314 -2.518 61 HD13 ILE 5 1HD1 ILE 5 -9.115 0.509 -1.600 62 H ILE 6 H ILE 6 -3.628 4.099 -1.536 63 HA ILE 6 HA ILE 6 -1.555 3.192 -3.414 64 HB ILE 6 HB ILE 6 -0.073 4.928 -2.352 65 HG12 ILE 6 2HG1 ILE 6 -1.645 5.269 -0.359 66 HG13 ILE 6 3HG1 ILE 6 -0.939 6.709 -1.076 67 HG21 ILE 6 2HG2 ILE 6 -2.478 5.874 -3.892 68 HG22 ILE 6 1HG2 ILE 6 -0.985 5.217 -4.561 69 HG23 ILE 6 3HG2 ILE 6 -0.965 6.763 -3.714 70 HD11 ILE 6 3HD1 ILE 6 -3.257 7.082 -0.524 71 HD12 ILE 6 2HD1 ILE 6 -3.745 5.696 -1.501 72 HD13 ILE 6 1HD1 ILE 6 -3.043 7.119 -2.274 73 H ALA 7 H ALA 7 0.029 1.886 -2.707 74 HA ALA 7 HA ALA 7 0.154 1.308 0.171 75 HB1 ALA 7 HB1 ALA 7 -0.088 -0.792 -1.979 76 HB2 ALA 7 HB2 ALA 7 0.131 -1.088 -0.254 77 HB3 ALA 7 HB3 ALA 7 -1.353 -0.336 -0.838 78 H VAL 8 H VAL 8 2.177 1.167 0.902 79 HA VAL 8 HA VAL 8 4.322 0.913 -1.097 80 HB VAL 8 HB VAL 8 4.489 2.106 1.676 81 HG11 VAL 8 2HG1 VAL 8 6.716 2.853 0.992 82 HG12 VAL 8 1HG1 VAL 8 6.526 2.020 -0.552 83 HG13 VAL 8 3HG1 VAL 8 6.593 1.096 0.949 84 HG21 VAL 8 3HG2 VAL 8 3.166 3.481 0.137 85 HG22 VAL 8 2HG2 VAL 8 4.502 3.468 -1.016 86 HG23 VAL 8 1HG2 VAL 8 4.696 4.253 0.551 87 H THR 9 H THR 9 5.612 -0.769 -1.041 88 HA THR 9 HA THR 9 5.636 -2.494 1.346 89 HB THR 9 HB THR 9 6.418 -4.290 -0.298 90 HG1 THR 9 HG1 THR 9 5.614 -2.236 -2.085 91 HG21 THR 9 3HG2 THR 9 4.123 -4.813 -1.038 92 HG22 THR 9 1HG2 THR 9 3.619 -3.187 -0.572 93 HG23 THR 9 2HG2 THR 9 4.182 -4.323 0.655 94 H ALA 10 H ALA 10 7.496 -2.346 2.438 95 HA ALA 10 HA ALA 10 9.982 -1.947 0.938 96 HB1 ALA 10 HB1 ALA 10 9.221 0.287 1.589 97 HB2 ALA 10 HB2 ALA 10 9.177 -0.220 3.277 98 HB3 ALA 10 HB3 ALA 10 10.715 -0.157 2.416 99 H CYS 11 H CYS 11 11.049 -3.740 1.456 100 HA CYS 11 HA CYS 11 11.701 -4.175 4.249 101 HB2 CYS 11 HB2 CYS 11 9.722 -5.595 3.899 102 HB3 CYS 11 HB3 CYS 11 10.514 -6.364 2.528 103 HG CYS 11 HG CYS 11 12.026 -6.475 5.561 104 H ALA 12 H ALA 12 13.796 -4.564 4.426 105 HA ALA 12 HA ALA 12 15.266 -5.356 1.996 106 HB1 ALA 12 HB1 ALA 12 16.272 -3.848 4.407 107 HB2 ALA 12 HB2 ALA 12 17.203 -4.235 2.960 108 HB3 ALA 12 HB3 ALA 12 15.828 -3.133 2.859 109 H THR 13 H THR 13 14.455 -6.287 5.194 110 HA THR 13 HA THR 13 16.680 -8.054 5.592 111 HB THR 13 HB THR 13 15.302 -8.946 7.485 112 HG1 THR 13 HG1 THR 13 13.501 -6.819 7.127 113 HG21 THR 13 3HG2 THR 13 15.394 -6.885 8.828 114 HG22 THR 13 1HG2 THR 13 15.602 -5.942 7.354 115 HG23 THR 13 2HG2 THR 13 16.845 -7.092 7.848 116 H GLY 14 H GLY 14 13.318 -8.382 4.573 117 HA2 GLY 14 HA1 GLY 14 13.994 -11.043 3.486 118 HA3 GLY 14 HA2 GLY 14 12.440 -10.708 4.241 119 H VAL 15 H VAL 15 14.515 -9.914 1.514 120 HA VAL 15 HA VAL 15 12.824 -8.104 0.225 121 HB VAL 15 HB VAL 15 14.153 -8.571 -1.798 122 HG11 VAL 15 2HG1 VAL 15 16.313 -7.856 -0.886 123 HG12 VAL 15 1HG1 VAL 15 15.758 -8.284 0.733 124 HG13 VAL 15 3HG1 VAL 15 14.966 -6.982 -0.154 125 HG21 VAL 15 3HG2 VAL 15 15.496 -10.678 -0.113 126 HG22 VAL 15 2HG2 VAL 15 15.999 -10.161 -1.723 127 HG23 VAL 15 1HG2 VAL 15 14.452 -10.982 -1.503 128 H ALA 16 H ALA 16 12.807 -11.603 0.245 129 HA ALA 16 HA ALA 16 11.221 -11.985 -2.073 130 HB1 ALA 16 HB1 ALA 16 11.450 -13.745 0.363 131 HB2 ALA 16 HB2 ALA 16 10.821 -14.225 -1.213 132 HB3 ALA 16 HB3 ALA 16 12.521 -13.785 -1.037 133 H HIS 17 H HIS 17 10.498 -11.075 1.185 134 HA HIS 17 HA HIS 17 7.691 -11.695 1.090 135 HB2 HIS 17 HB2 HIS 17 9.173 -9.805 2.942 136 HB3 HIS 17 HB3 HIS 17 7.536 -10.400 3.177 137 HD1 HIS 17 HD1 HIS 17 7.472 -12.136 4.935 138 HD2 HIS 17 HD2 HIS 17 11.028 -12.264 2.778 139 HE1 HIS 17 HE1 HIS 17 8.835 -13.968 5.980 140 HE2 HIS 17 HE2 HIS 17 11.064 -13.869 4.809 141 H THR 18 H THR 18 9.734 -8.907 0.548 142 HA THR 18 HA THR 18 7.820 -6.893 0.356 143 HB THR 18 HB THR 18 10.272 -6.902 -1.375 144 HG1 THR 18 HG1 THR 18 11.442 -6.307 0.574 145 HG21 THR 18 3HG2 THR 18 10.387 -4.561 -0.661 146 HG22 THR 18 1HG2 THR 18 8.982 -4.805 0.378 147 HG23 THR 18 2HG2 THR 18 8.815 -4.926 -1.373 148 H TYR 19 H TYR 19 9.409 -8.683 -2.287 149 HA TYR 19 HA TYR 19 7.876 -7.460 -4.322 150 HB2 TYR 19 HB2 TYR 19 9.510 -10.001 -4.364 151 HB3 TYR 19 HB3 TYR 19 8.840 -9.219 -5.793 152 HD1 TYR 19 HD2 TYR 19 9.374 -6.499 -5.660 153 HD2 TYR 19 HD1 TYR 19 11.786 -9.651 -4.131 154 HE1 TYR 19 HE2 TYR 19 11.347 -5.050 -5.810 155 HE2 TYR 19 HE1 TYR 19 13.773 -8.205 -4.274 156 HH TYR 19 HH TYR 19 14.505 -6.202 -5.571 157 H MET 20 H MET 20 7.358 -10.287 -2.363 158 HA MET 20 HA MET 20 5.329 -11.457 -3.953 159 HB2 MET 20 HB2 MET 20 6.433 -12.708 -2.159 160 HB3 MET 20 HB3 MET 20 5.733 -11.620 -0.964 161 HG2 MET 20 HG2 MET 20 4.424 -13.599 -0.983 162 HG3 MET 20 HG3 MET 20 3.475 -12.321 -1.751 163 HE1 MET 20 HE1 MET 20 6.496 -14.285 -3.326 164 HE2 MET 20 HE2 MET 20 5.692 -15.526 -2.367 165 HE3 MET 20 HE3 MET 20 5.670 -15.621 -4.127 166 H ALA 21 H ALA 21 5.116 -9.477 -0.998 167 HA ALA 21 HA ALA 21 2.331 -9.231 -0.982 168 HB1 ALA 21 HB1 ALA 21 4.366 -7.310 0.143 169 HB2 ALA 21 HB2 ALA 21 2.662 -7.400 0.588 170 HB3 ALA 21 HB3 ALA 21 3.742 -8.744 0.956 171 H ALA 22 H ALA 22 4.820 -7.228 -2.471 172 HA ALA 22 HA ALA 22 3.317 -5.042 -3.260 173 HB1 ALA 22 HB1 ALA 22 5.565 -6.347 -4.791 174 HB2 ALA 22 HB2 ALA 22 4.988 -4.693 -4.998 175 HB3 ALA 22 HB3 ALA 22 5.752 -5.179 -3.484 176 H GLN 23 H GLN 23 3.998 -7.969 -5.198 177 HA GLN 23 HA GLN 23 2.229 -7.153 -7.285 178 HB2 GLN 23 HB2 GLN 23 3.499 -9.841 -6.737 179 HB3 GLN 23 HB3 GLN 23 2.619 -9.424 -8.202 180 HG2 GLN 23 HG2 GLN 23 4.262 -7.637 -8.639 181 HG3 GLN 23 HG3 GLN 23 5.168 -8.166 -7.222 182 HE21 GLN 23 1HE2 GLN 23 6.981 -8.695 -8.391 183 HE22 GLN 23 2HE2 GLN 23 7.052 -10.074 -9.441 184 H ALA 24 H ALA 24 1.926 -9.236 -4.462 185 HA ALA 24 HA ALA 24 -0.494 -10.499 -5.109 186 HB1 ALA 24 HB1 ALA 24 -0.745 -10.922 -2.736 187 HB2 ALA 24 HB2 ALA 24 0.938 -11.151 -3.207 188 HB3 ALA 24 HB3 ALA 24 0.453 -9.682 -2.361 189 H LEU 25 H LEU 25 0.153 -7.448 -3.450 190 HA LEU 25 HA LEU 25 -2.504 -6.643 -3.035 191 HB2 LEU 25 HB2 LEU 25 0.006 -5.041 -3.495 192 HB3 LEU 25 HB3 LEU 25 -1.530 -4.308 -3.079 193 HG LEU 25 HG LEU 25 -0.046 -6.295 -1.361 194 HD11 LEU 25 2HD1 LEU 25 1.122 -4.147 -1.530 195 HD12 LEU 25 1HD1 LEU 25 0.441 -4.397 0.078 196 HD13 LEU 25 3HD1 LEU 25 -0.357 -3.311 -1.059 197 HD21 LEU 25 3HD2 LEU 25 -1.677 -5.701 0.342 198 HD22 LEU 25 2HD2 LEU 25 -2.479 -6.360 -1.085 199 HD23 LEU 25 1HD2 LEU 25 -2.488 -4.621 -0.793 200 H LYS 26 H LYS 26 -0.343 -6.131 -5.792 201 HA LYS 26 HA LYS 26 -2.065 -4.470 -7.275 202 HB2 LYS 26 HB2 LYS 26 0.100 -6.338 -8.260 203 HB3 LYS 26 HB3 LYS 26 -0.634 -5.050 -9.203 204 HG2 LYS 26 HG2 LYS 26 0.212 -3.406 -7.590 205 HG3 LYS 26 HG3 LYS 26 0.978 -4.713 -6.688 206 HD2 LYS 26 HD2 LYS 26 2.653 -3.705 -8.051 207 HD3 LYS 26 HD3 LYS 26 2.265 -5.273 -8.763 208 HE2 LYS 26 HE2 LYS 26 0.854 -4.195 -10.418 209 HE3 LYS 26 HE3 LYS 26 1.153 -2.621 -9.680 210 HZ1 LYS 26 HZ1 LYS 26 2.534 -2.994 -11.642 211 HZ2 LYS 26 HZ2 LYS 26 3.225 -4.361 -10.915 212 HZ3 LYS 26 HZ3 LYS 26 3.483 -2.824 -10.246 213 H LYS 27 H LYS 27 -1.732 -7.966 -7.108 214 HA LYS 27 HA LYS 27 -3.545 -8.558 -9.221 215 HB2 LYS 27 HB2 LYS 27 -2.707 -10.217 -6.847 216 HB3 LYS 27 HB3 LYS 27 -3.572 -10.826 -8.244 217 HG2 LYS 27 HG2 LYS 27 -1.692 -10.371 -9.673 218 HG3 LYS 27 HG3 LYS 27 -0.837 -9.575 -8.348 219 HD2 LYS 27 HD2 LYS 27 -0.986 -11.767 -7.104 220 HD3 LYS 27 HD3 LYS 27 -1.535 -12.489 -8.616 221 HE2 LYS 27 HE2 LYS 27 0.526 -11.825 -9.710 222 HE3 LYS 27 HE3 LYS 27 1.066 -11.017 -8.238 223 HZ1 LYS 27 HZ1 LYS 27 0.961 -13.200 -7.114 224 HZ2 LYS 27 HZ2 LYS 27 2.104 -13.146 -8.363 225 HZ3 LYS 27 HZ3 LYS 27 0.613 -13.927 -8.608 226 H GLY 28 H GLY 28 -3.864 -8.620 -5.695 227 HA2 GLY 28 HA1 GLY 28 -6.569 -9.295 -5.544 228 HA3 GLY 28 HA2 GLY 28 -5.672 -8.437 -4.302 229 H ALA 29 H ALA 29 -5.105 -6.291 -6.380 230 HA ALA 29 HA ALA 29 -7.066 -4.449 -5.730 231 HB1 ALA 29 HB1 ALA 29 -6.227 -3.116 -7.606 232 HB2 ALA 29 HB2 ALA 29 -4.912 -3.809 -6.657 233 HB3 ALA 29 HB3 ALA 29 -5.352 -4.523 -8.208 234 H LYS 30 H LYS 30 -6.815 -6.458 -8.665 235 HA LYS 30 HA LYS 30 -9.175 -5.390 -9.837 236 HB2 LYS 30 HB2 LYS 30 -7.648 -7.929 -10.431 237 HB3 LYS 30 HB3 LYS 30 -9.020 -7.373 -11.376 238 HG2 LYS 30 HG2 LYS 30 -7.185 -6.659 -12.597 239 HG3 LYS 30 HG3 LYS 30 -7.667 -5.218 -11.702 240 HD2 LYS 30 HD2 LYS 30 -5.929 -5.624 -10.060 241 HD3 LYS 30 HD3 LYS 30 -5.476 -7.120 -10.881 242 HE2 LYS 30 HE2 LYS 30 -4.970 -5.760 -12.911 243 HE3 LYS 30 HE3 LYS 30 -5.257 -4.312 -11.947 244 HZ1 LYS 30 HZ1 LYS 30 -3.425 -4.816 -10.562 245 HZ2 LYS 30 HZ2 LYS 30 -2.881 -5.013 -12.154 246 HZ3 LYS 30 HZ3 LYS 30 -3.253 -6.371 -11.216 247 H LYS 31 H LYS 31 -8.518 -7.943 -7.616 248 HA LYS 31 HA LYS 31 -10.961 -9.371 -7.922 249 HB2 LYS 31 HB2 LYS 31 -8.845 -10.284 -6.935 250 HB3 LYS 31 HB3 LYS 31 -9.122 -9.276 -5.524 251 HG2 LYS 31 HG2 LYS 31 -11.144 -10.483 -5.007 252 HG3 LYS 31 HG3 LYS 31 -10.990 -11.429 -6.491 253 HD2 LYS 31 HD2 LYS 31 -8.879 -12.357 -5.684 254 HD3 LYS 31 HD3 LYS 31 -9.022 -11.408 -4.204 255 HE2 LYS 31 HE2 LYS 31 -11.058 -12.604 -3.621 256 HE3 LYS 31 HE3 LYS 31 -10.963 -13.525 -5.123 257 HZ1 LYS 31 HZ1 LYS 31 -10.108 -14.766 -3.212 258 HZ2 LYS 31 HZ2 LYS 31 -8.925 -13.573 -2.959 259 HZ3 LYS 31 HZ3 LYS 31 -8.902 -14.503 -4.376 260 H MET 32 H MET 32 -9.912 -6.633 -6.021 261 HA MET 32 HA MET 32 -12.468 -6.495 -4.618 262 HB2 MET 32 HB2 MET 32 -10.046 -4.688 -4.508 263 HB3 MET 32 HB3 MET 32 -11.476 -4.516 -3.505 264 HG2 MET 32 HG2 MET 32 -9.793 -7.004 -3.497 265 HG3 MET 32 HG3 MET 32 -9.447 -5.623 -2.462 266 HE1 MET 32 HE1 MET 32 -13.035 -8.496 -2.068 267 HE2 MET 32 HE2 MET 32 -12.794 -7.556 -3.541 268 HE3 MET 32 HE3 MET 32 -11.603 -8.767 -3.061 269 H GLY 33 H GLY 33 -11.009 -5.377 -7.458 270 HA2 GLY 33 HA1 GLY 33 -12.028 -4.294 -9.228 271 HA3 GLY 33 HA2 GLY 33 -13.418 -3.979 -8.204 272 H ASN 34 H ASN 34 -10.299 -3.070 -7.046 273 HA ASN 34 HA ASN 34 -10.975 -0.257 -7.581 274 HB2 ASN 34 HB2 ASN 34 -9.622 0.231 -5.497 275 HB3 ASN 34 HB3 ASN 34 -11.153 -0.593 -5.245 276 HD21 ASN 34 1HD2 ASN 34 -8.259 -2.171 -6.440 277 HD22 ASN 34 2HD2 ASN 34 -8.013 -3.150 -5.044 278 H LEU 35 H LEU 35 -8.900 1.164 -7.286 279 HA LEU 35 HA LEU 35 -6.875 -0.030 -9.058 280 HB2 LEU 35 HB2 LEU 35 -7.594 2.887 -8.758 281 HB3 LEU 35 HB3 LEU 35 -6.482 2.203 -9.927 282 HG LEU 35 HG LEU 35 -9.461 1.701 -9.857 283 HD11 LEU 35 2HD1 LEU 35 -8.941 3.987 -10.506 284 HD12 LEU 35 1HD1 LEU 35 -9.519 3.057 -11.889 285 HD13 LEU 35 3HD1 LEU 35 -7.797 3.396 -11.712 286 HD21 LEU 35 3HD2 LEU 35 -9.116 0.634 -12.023 287 HD22 LEU 35 2HD2 LEU 35 -8.215 -0.197 -10.755 288 HD23 LEU 35 1HD2 LEU 35 -7.375 0.876 -11.876 289 H ILE 36 H ILE 36 -5.133 -0.563 -7.885 290 HA ILE 36 HA ILE 36 -4.413 1.172 -5.633 291 HB ILE 36 HB ILE 36 -4.927 -1.262 -5.162 292 HG12 ILE 36 2HG1 ILE 36 -2.132 -0.339 -4.454 293 HG13 ILE 36 3HG1 ILE 36 -3.601 0.186 -3.638 294 HG21 ILE 36 2HG2 ILE 36 -2.298 -1.686 -6.577 295 HG22 ILE 36 1HG2 ILE 36 -3.877 -2.260 -7.113 296 HG23 ILE 36 3HG2 ILE 36 -3.162 -2.901 -5.634 297 HD11 ILE 36 3HD1 ILE 36 -2.453 -1.533 -2.369 298 HD12 ILE 36 2HD1 ILE 36 -2.548 -2.631 -3.745 299 HD13 ILE 36 1HD1 ILE 36 -4.023 -2.112 -2.928 300 H LYS 37 H LYS 37 -2.392 1.976 -5.432 301 HA LYS 37 HA LYS 37 -0.508 1.477 -7.643 302 HB2 LYS 37 HB2 LYS 37 -0.938 3.970 -5.984 303 HB3 LYS 37 HB3 LYS 37 0.423 3.747 -7.073 304 HG2 LYS 37 HG2 LYS 37 -2.470 3.703 -7.905 305 HG3 LYS 37 HG3 LYS 37 -1.392 5.092 -8.053 306 HD2 LYS 37 HD2 LYS 37 -0.975 2.405 -9.368 307 HD3 LYS 37 HD3 LYS 37 -1.605 3.846 -10.169 308 HE2 LYS 37 HE2 LYS 37 1.100 3.677 -8.844 309 HE3 LYS 37 HE3 LYS 37 0.821 3.433 -10.566 310 HZ1 LYS 37 HZ1 LYS 37 -0.033 5.921 -9.206 311 HZ2 LYS 37 HZ2 LYS 37 0.229 5.653 -10.860 312 HZ3 LYS 37 HZ3 LYS 37 1.546 5.731 -9.793 313 H VAL 38 H VAL 38 0.903 0.029 -6.888 314 HA VAL 38 HA VAL 38 1.653 0.124 -4.065 315 HB VAL 38 HB VAL 38 2.222 -2.022 -6.114 316 HG11 VAL 38 2HG1 VAL 38 3.878 -1.984 -4.317 317 HG12 VAL 38 1HG1 VAL 38 2.844 -3.408 -4.199 318 HG13 VAL 38 3HG1 VAL 38 2.585 -2.038 -3.120 319 HG21 VAL 38 3HG2 VAL 38 0.157 -1.909 -3.917 320 HG22 VAL 38 2HG2 VAL 38 0.492 -3.309 -4.937 321 HG23 VAL 38 1HG2 VAL 38 -0.160 -1.834 -5.650 322 H GLU 39 H GLU 39 3.483 0.907 -3.412 323 HA GLU 39 HA GLU 39 5.683 1.333 -5.315 324 HB2 GLU 39 HB2 GLU 39 4.963 3.318 -4.099 325 HB3 GLU 39 HB3 GLU 39 5.116 2.479 -2.566 326 HG2 GLU 39 HG2 GLU 39 7.489 2.431 -2.738 327 HG3 GLU 39 HG3 GLU 39 7.435 3.014 -4.401 328 H THR 40 H THR 40 7.766 0.557 -4.795 329 HA THR 40 HA THR 40 7.909 -1.327 -2.555 330 HB THR 40 HB THR 40 8.878 -1.927 -5.358 331 HG1 THR 40 HG1 THR 40 6.730 -2.998 -3.804 332 HG21 THR 40 3HG2 THR 40 9.410 -4.155 -4.465 333 HG22 THR 40 1HG2 THR 40 8.947 -3.614 -2.851 334 HG23 THR 40 2HG2 THR 40 10.342 -2.894 -3.656 335 H GLN 41 H GLN 41 9.543 -0.807 -1.285 336 HA GLN 41 HA GLN 41 12.003 0.272 -2.509 337 HB2 GLN 41 HB2 GLN 41 10.797 0.907 0.186 338 HB3 GLN 41 HB3 GLN 41 12.432 1.345 -0.274 339 HG2 GLN 41 HG2 GLN 41 11.305 2.578 -2.241 340 HG3 GLN 41 HG3 GLN 41 9.835 2.434 -1.273 341 HE21 GLN 41 1HE2 GLN 41 13.010 2.733 0.103 342 HE22 GLN 41 2HE2 GLN 41 12.820 4.320 0.753 343 H GLY 42 H GLY 42 13.936 -0.581 -1.807 344 HA2 GLY 42 HA1 GLY 42 13.796 -2.906 -0.034 345 HA3 GLY 42 HA2 GLY 42 15.197 -2.401 -0.979 346 H ALA 43 H ALA 43 16.142 -0.286 -0.352 347 HA ALA 43 HA ALA 43 15.642 0.540 2.409 348 HB1 ALA 43 HB1 ALA 43 18.037 0.596 2.925 349 HB2 ALA 43 HB2 ALA 43 17.499 -1.045 2.565 350 HB3 ALA 43 HB3 ALA 43 18.393 -0.123 1.355 351 H THR 44 H THR 44 17.570 1.119 -0.516 352 HA THR 44 HA THR 44 16.986 4.000 -0.237 353 HB THR 44 HB THR 44 19.302 2.859 -1.800 354 HG1 THR 44 HG1 THR 44 19.047 3.284 0.961 355 HG21 THR 44 3HG2 THR 44 20.221 5.110 -1.513 356 HG22 THR 44 1HG2 THR 44 18.782 5.585 -0.611 357 HG23 THR 44 2HG2 THR 44 18.651 5.159 -2.318 358 H GLY 45 H GLY 45 16.947 1.170 -2.256 359 HA2 GLY 45 HA1 GLY 45 16.425 2.660 -4.693 360 HA3 GLY 45 HA2 GLY 45 16.579 0.917 -4.543 361 H ILE 46 H ILE 46 14.533 3.107 -5.511 362 HA ILE 46 HA ILE 46 12.151 1.791 -4.377 363 HB ILE 46 HB ILE 46 12.271 4.404 -5.900 364 HG12 ILE 46 2HG1 ILE 46 12.046 3.964 -2.913 365 HG13 ILE 46 3HG1 ILE 46 13.481 4.549 -3.745 366 HG21 ILE 46 2HG2 ILE 46 10.004 4.736 -5.047 367 HG22 ILE 46 1HG2 ILE 46 10.071 3.165 -4.249 368 HG23 ILE 46 3HG2 ILE 46 10.113 3.263 -6.009 369 HD11 ILE 46 3HD1 ILE 46 12.291 6.544 -4.441 370 HD12 ILE 46 2HD1 ILE 46 12.230 6.358 -2.688 371 HD13 ILE 46 1HD1 ILE 46 10.821 5.952 -3.669 372 H GLU 47 H GLU 47 10.945 0.537 -5.701 373 HA GLU 47 HA GLU 47 11.849 0.187 -8.437 374 HB2 GLU 47 HB2 GLU 47 11.323 -1.741 -6.945 375 HB3 GLU 47 HB3 GLU 47 9.633 -1.258 -6.973 376 HG2 GLU 47 HG2 GLU 47 9.514 -1.654 -9.349 377 HG3 GLU 47 HG3 GLU 47 11.239 -2.017 -9.404 378 H ASN 48 H ASN 48 9.095 1.553 -6.753 379 HA ASN 48 HA ASN 48 8.097 2.616 -9.270 380 HB2 ASN 48 HB2 ASN 48 6.902 0.439 -8.909 381 HB3 ASN 48 HB3 ASN 48 6.275 1.088 -7.403 382 HD21 ASN 48 1HD2 ASN 48 4.699 2.671 -7.448 383 HD22 ASN 48 2HD2 ASN 48 3.820 3.063 -8.886 384 H GLU 49 H GLU 49 8.559 4.672 -8.570 385 HA GLU 49 HA GLU 49 7.972 5.611 -5.963 386 HB2 GLU 49 HB2 GLU 49 8.553 7.817 -6.826 387 HB3 GLU 49 HB3 GLU 49 9.722 6.607 -7.343 388 HG2 GLU 49 HG2 GLU 49 8.497 6.458 -9.494 389 HG3 GLU 49 HG3 GLU 49 7.514 7.819 -8.967 390 H LEU 50 H LEU 50 6.123 6.283 -5.095 391 HA LEU 50 HA LEU 50 3.803 6.699 -6.799 392 HB2 LEU 50 HB2 LEU 50 4.104 6.843 -3.799 393 HB3 LEU 50 HB3 LEU 50 2.587 7.005 -4.664 394 HG LEU 50 HG LEU 50 4.324 4.541 -4.528 395 HD11 LEU 50 2HD1 LEU 50 2.387 3.575 -3.378 396 HD12 LEU 50 1HD1 LEU 50 1.579 5.143 -3.436 397 HD13 LEU 50 3HD1 LEU 50 3.061 4.949 -2.500 398 HD21 LEU 50 3HD2 LEU 50 3.321 4.737 -6.737 399 HD22 LEU 50 2HD2 LEU 50 1.736 4.999 -6.008 400 HD23 LEU 50 1HD2 LEU 50 2.549 3.446 -5.816 401 H THR 51 H THR 51 2.839 8.624 -7.222 402 HA THR 51 HA THR 51 4.418 11.002 -6.641 403 HB THR 51 HB THR 51 2.982 12.123 -8.284 404 HG1 THR 51 HG1 THR 51 1.699 9.606 -8.698 405 HG21 THR 51 3HG2 THR 51 3.977 9.441 -9.258 406 HG22 THR 51 1HG2 THR 51 4.950 10.902 -9.090 407 HG23 THR 51 2HG2 THR 51 3.639 10.846 -10.267 408 H GLU 52 H GLU 52 3.374 12.981 -5.922 409 HA GLU 52 HA GLU 52 1.827 12.666 -3.608 410 HB2 GLU 52 HB2 GLU 52 3.273 14.629 -4.111 411 HB3 GLU 52 HB3 GLU 52 2.097 15.158 -5.304 412 HG2 GLU 52 HG2 GLU 52 1.774 16.422 -3.314 413 HG3 GLU 52 HG3 GLU 52 0.410 15.319 -3.496 414 H LYS 53 H LYS 53 0.903 13.318 -6.949 415 HA LYS 53 HA LYS 53 -1.821 13.886 -6.397 416 HB2 LYS 53 HB2 LYS 53 -2.196 13.497 -8.806 417 HB3 LYS 53 HB3 LYS 53 -0.846 14.580 -8.499 418 HG2 LYS 53 HG2 LYS 53 0.698 12.678 -8.855 419 HG3 LYS 53 HG3 LYS 53 -0.692 11.676 -9.273 420 HD2 LYS 53 HD2 LYS 53 0.381 12.490 -11.286 421 HD3 LYS 53 HD3 LYS 53 -1.218 13.218 -11.121 422 HE2 LYS 53 HE2 LYS 53 -0.215 15.254 -10.242 423 HE3 LYS 53 HE3 LYS 53 1.386 14.526 -10.346 424 HZ1 LYS 53 HZ1 LYS 53 0.896 16.013 -12.213 425 HZ2 LYS 53 HZ2 LYS 53 -0.403 15.020 -12.665 426 HZ3 LYS 53 HZ3 LYS 53 1.184 14.422 -12.727 427 H ASP 54 H ASP 54 -0.074 10.877 -7.045 428 HA ASP 54 HA ASP 54 -2.337 9.178 -7.139 429 HB2 ASP 54 HB2 ASP 54 0.556 8.748 -6.483 430 HB3 ASP 54 HB3 ASP 54 -0.598 7.463 -6.156 431 H VAL 55 H VAL 55 -0.333 10.352 -4.525 432 HA VAL 55 HA VAL 55 -1.556 8.787 -2.491 433 HB VAL 55 HB VAL 55 0.050 11.322 -2.143 434 HG11 VAL 55 2HG1 VAL 55 -1.044 10.613 -0.120 435 HG12 VAL 55 1HG1 VAL 55 0.686 10.273 -0.001 436 HG13 VAL 55 3HG1 VAL 55 -0.450 8.968 -0.339 437 HG21 VAL 55 3HG2 VAL 55 1.323 9.817 -3.546 438 HG22 VAL 55 2HG2 VAL 55 1.009 8.475 -2.445 439 HG23 VAL 55 1HG2 VAL 55 2.012 9.827 -1.924 440 H ASN 56 H ASN 56 -2.158 11.957 -3.841 441 HA ASN 56 HA ASN 56 -3.888 12.848 -1.749 442 HB2 ASN 56 HB2 ASN 56 -2.983 13.871 -4.353 443 HB3 ASN 56 HB3 ASN 56 -4.604 14.375 -3.886 444 HD21 ASN 56 1HD2 ASN 56 -1.225 14.482 -3.079 445 HD22 ASN 56 2HD2 ASN 56 -1.337 15.793 -1.953 446 H ILE 57 H ILE 57 -4.460 11.571 -5.020 447 HA ILE 57 HA ILE 57 -7.292 11.727 -4.797 448 HB ILE 57 HB ILE 57 -5.635 10.051 -6.691 449 HG12 ILE 57 2HG1 ILE 57 -5.114 12.426 -6.890 450 HG13 ILE 57 3HG1 ILE 57 -6.030 11.887 -8.294 451 HG21 ILE 57 2HG2 ILE 57 -7.960 9.277 -6.517 452 HG22 ILE 57 1HG2 ILE 57 -7.622 9.982 -8.097 453 HG23 ILE 57 3HG2 ILE 57 -8.523 10.906 -6.895 454 HD11 ILE 57 3HD1 ILE 57 -7.109 13.435 -5.949 455 HD12 ILE 57 2HD1 ILE 57 -8.059 12.859 -7.319 456 HD13 ILE 57 1HD1 ILE 57 -6.791 14.059 -7.568 457 H GLY 58 H GLY 58 -4.905 9.281 -4.033 458 HA2 GLY 58 HA1 GLY 58 -6.669 7.155 -3.481 459 HA3 GLY 58 HA2 GLY 58 -5.074 7.376 -2.772 460 H GLU 59 H GLU 59 -7.786 6.572 -1.681 461 HA GLU 59 HA GLU 59 -8.382 8.717 0.186 462 HB2 GLU 59 HB2 GLU 59 -9.563 5.942 -0.027 463 HB3 GLU 59 HB3 GLU 59 -10.173 7.243 0.985 464 HG2 GLU 59 HG2 GLU 59 -10.085 7.222 -2.021 465 HG3 GLU 59 HG3 GLU 59 -11.510 6.983 -1.013 466 H VAL 60 H VAL 60 -7.157 5.404 0.256 467 HA VAL 60 HA VAL 60 -6.175 5.897 2.981 468 HB VAL 60 HB VAL 60 -6.508 3.433 3.409 469 HG11 VAL 60 2HG1 VAL 60 -8.904 3.660 3.910 470 HG12 VAL 60 1HG1 VAL 60 -8.958 5.117 2.918 471 HG13 VAL 60 3HG1 VAL 60 -7.984 5.086 4.388 472 HG21 VAL 60 3HG2 VAL 60 -8.207 3.647 0.927 473 HG22 VAL 60 2HG2 VAL 60 -8.201 2.279 2.042 474 HG23 VAL 60 1HG2 VAL 60 -6.750 2.672 1.119 475 H VAL 61 H VAL 61 -4.232 4.964 3.538 476 HA VAL 61 HA VAL 61 -2.598 4.029 1.272 477 HB VAL 61 HB VAL 61 -1.656 5.291 3.850 478 HG11 VAL 61 2HG1 VAL 61 -0.013 3.833 2.814 479 HG12 VAL 61 1HG1 VAL 61 0.482 5.522 2.689 480 HG13 VAL 61 3HG1 VAL 61 -0.192 4.694 1.285 481 HG21 VAL 61 3HG2 VAL 61 -2.944 6.910 2.556 482 HG22 VAL 61 2HG2 VAL 61 -1.963 6.570 1.133 483 HG23 VAL 61 1HG2 VAL 61 -1.229 7.324 2.549 484 H ILE 62 H ILE 62 -1.462 2.136 1.474 485 HA ILE 62 HA ILE 62 -1.716 0.708 4.045 486 HB ILE 62 HB ILE 62 -1.480 -0.363 1.226 487 HG12 ILE 62 2HG1 ILE 62 -3.742 0.231 2.051 488 HG13 ILE 62 3HG1 ILE 62 -3.569 -1.491 1.725 489 HG21 ILE 62 2HG2 ILE 62 -1.184 -1.882 3.815 490 HG22 ILE 62 1HG2 ILE 62 0.027 -1.688 2.547 491 HG23 ILE 62 3HG2 ILE 62 -1.432 -2.631 2.238 492 HD11 ILE 62 3HD1 ILE 62 -3.437 -0.196 4.440 493 HD12 ILE 62 2HD1 ILE 62 -3.296 -1.922 4.105 494 HD13 ILE 62 1HD1 ILE 62 -4.811 -1.081 3.777 495 H PHE 63 H PHE 63 0.092 0.224 5.122 496 HA PHE 63 HA PHE 63 2.639 0.476 3.674 497 HB2 PHE 63 HB2 PHE 63 1.859 1.393 6.403 498 HB3 PHE 63 HB3 PHE 63 3.520 0.888 6.119 499 HD1 PHE 63 HD2 PHE 63 4.649 1.945 4.010 500 HD2 PHE 63 HD1 PHE 63 1.294 3.594 6.046 501 HE1 PHE 63 HE2 PHE 63 5.175 4.155 3.075 502 HE2 PHE 63 HE1 PHE 63 1.816 5.809 5.111 503 HZ PHE 63 HZ PHE 63 3.760 6.087 3.624 504 H ALA 64 H ALA 64 3.152 -1.558 3.208 505 HA ALA 64 HA ALA 64 3.303 -3.458 5.455 506 HB1 ALA 64 HB1 ALA 64 2.039 -4.254 3.478 507 HB2 ALA 64 HB2 ALA 64 3.481 -4.026 2.489 508 HB3 ALA 64 HB3 ALA 64 3.481 -5.222 3.783 509 H VAL 65 H VAL 65 5.209 -2.776 6.396 510 HA VAL 65 HA VAL 65 7.582 -2.809 4.673 511 HB VAL 65 HB VAL 65 8.443 -0.751 5.658 512 HG11 VAL 65 2HG1 VAL 65 5.703 -0.410 4.451 513 HG12 VAL 65 1HG1 VAL 65 7.223 -0.579 3.569 514 HG13 VAL 65 3HG1 VAL 65 6.934 0.847 4.567 515 HG21 VAL 65 3HG2 VAL 65 6.966 0.710 6.990 516 HG22 VAL 65 2HG2 VAL 65 7.349 -0.804 7.810 517 HG23 VAL 65 1HG2 VAL 65 5.772 -0.587 7.050 518 H ASP 66 H ASP 66 9.538 -3.053 5.683 519 HA ASP 66 HA ASP 66 9.561 -3.671 8.558 520 HB2 ASP 66 HB2 ASP 66 10.190 -5.770 8.040 521 HB3 ASP 66 HB3 ASP 66 10.317 -5.374 6.334 522 H THR 67 H THR 67 10.976 -2.210 5.767 523 HA THR 67 HA THR 67 13.060 -1.007 7.449 524 HB THR 67 HB THR 67 14.169 -0.506 5.180 525 HG1 THR 67 HG1 THR 67 13.499 -1.705 3.456 526 HG21 THR 67 3HG2 THR 67 15.213 -2.732 5.114 527 HG22 THR 67 1HG2 THR 67 13.937 -3.349 6.167 528 HG23 THR 67 2HG2 THR 67 15.058 -2.124 6.763 529 H LYS 68 H LYS 68 13.756 1.033 5.670 530 HA LYS 68 HA LYS 68 11.701 2.908 6.459 531 HB2 LYS 68 HB2 LYS 68 13.926 3.465 7.085 532 HB3 LYS 68 HB3 LYS 68 14.525 3.195 5.458 533 HG2 LYS 68 HG2 LYS 68 13.254 5.155 4.692 534 HG3 LYS 68 HG3 LYS 68 12.733 5.440 6.356 535 HD2 LYS 68 HD2 LYS 68 15.005 5.770 7.067 536 HD3 LYS 68 HD3 LYS 68 15.612 5.298 5.481 537 HE2 LYS 68 HE2 LYS 68 14.557 7.264 4.488 538 HE3 LYS 68 HE3 LYS 68 13.929 7.731 6.071 539 HZ1 LYS 68 HZ1 LYS 68 15.995 8.908 5.434 540 HZ2 LYS 68 HZ2 LYS 68 16.815 7.423 5.442 541 HZ3 LYS 68 HZ3 LYS 68 16.147 8.028 6.874 542 H VAL 69 H VAL 69 10.429 4.028 5.156 543 HA VAL 69 HA VAL 69 10.853 3.889 2.248 544 HB VAL 69 HB VAL 69 8.806 2.809 2.529 545 HG11 VAL 69 2HG1 VAL 69 8.099 4.833 4.647 546 HG12 VAL 69 1HG1 VAL 69 8.540 3.145 4.909 547 HG13 VAL 69 3HG1 VAL 69 7.039 3.546 4.074 548 HG21 VAL 69 3HG2 VAL 69 8.012 5.706 2.263 549 HG22 VAL 69 2HG2 VAL 69 7.066 4.311 1.749 550 HG23 VAL 69 1HG2 VAL 69 8.595 4.682 0.949 551 H ARG 70 H ARG 70 11.052 5.797 1.172 552 HA ARG 70 HA ARG 70 11.551 8.073 2.901 553 HB2 ARG 70 HB2 ARG 70 13.003 8.833 1.301 554 HB3 ARG 70 HB3 ARG 70 13.010 7.125 0.896 555 HG2 ARG 70 HG2 ARG 70 12.329 7.574 -1.155 556 HG3 ARG 70 HG3 ARG 70 10.896 8.396 -0.530 557 HD2 ARG 70 HD2 ARG 70 13.625 9.610 -0.956 558 HD3 ARG 70 HD3 ARG 70 12.179 9.909 -1.921 559 HE ARG 70 HE ARG 70 11.257 10.747 0.347 560 HH11 ARG 70 2HH1 ARG 70 14.554 11.128 -0.786 561 HH12 ARG 70 1HH1 ARG 70 14.835 12.572 0.150 562 HH21 ARG 70 2HH2 ARG 70 11.623 12.660 1.557 563 HH22 ARG 70 1HH2 ARG 70 13.170 13.458 1.438 564 H ASN 71 H ASN 71 9.220 7.023 0.596 565 HA ASN 71 HA ASN 71 8.196 9.672 0.122 566 HB2 ASN 71 HB2 ASN 71 7.346 6.944 -0.801 567 HB3 ASN 71 HB3 ASN 71 6.323 8.362 -1.068 568 HD21 ASN 71 1HD2 ASN 71 7.810 6.625 -2.960 569 HD22 ASN 71 2HD2 ASN 71 8.821 7.710 -3.860 570 H LYS 72 H LYS 72 7.979 7.570 2.641 571 HA LYS 72 HA LYS 72 5.351 7.458 3.428 572 HB2 LYS 72 HB2 LYS 72 7.254 6.409 4.648 573 HB3 LYS 72 HB3 LYS 72 7.682 7.995 5.277 574 HG2 LYS 72 HG2 LYS 72 5.465 8.132 6.356 575 HG3 LYS 72 HG3 LYS 72 5.115 6.505 5.775 576 HD2 LYS 72 HD2 LYS 72 7.456 7.169 7.555 577 HD3 LYS 72 HD3 LYS 72 5.885 6.650 8.164 578 HE2 LYS 72 HE2 LYS 72 6.103 4.584 6.806 579 HE3 LYS 72 HE3 LYS 72 7.728 5.098 6.354 580 HZ1 LYS 72 HZ1 LYS 72 8.305 5.095 8.735 581 HZ2 LYS 72 HZ2 LYS 72 7.854 3.562 8.171 582 HZ3 LYS 72 HZ3 LYS 72 6.764 4.479 9.095 583 H GLU 73 H GLU 73 7.496 10.209 3.438 584 HA GLU 73 HA GLU 73 6.204 11.994 5.108 585 HB2 GLU 73 HB2 GLU 73 7.400 12.668 2.420 586 HB3 GLU 73 HB3 GLU 73 7.140 13.779 3.755 587 HG2 GLU 73 HG2 GLU 73 8.777 12.593 5.091 588 HG3 GLU 73 HG3 GLU 73 9.014 11.427 3.786 589 H ARG 74 H ARG 74 5.347 11.086 1.808 590 HA ARG 74 HA ARG 74 3.396 13.067 1.357 591 HB2 ARG 74 HB2 ARG 74 4.105 10.456 0.143 592 HB3 ARG 74 HB3 ARG 74 2.464 11.021 -0.135 593 HG2 ARG 74 HG2 ARG 74 3.221 12.264 -1.789 594 HG3 ARG 74 HG3 ARG 74 4.121 13.221 -0.616 595 HD2 ARG 74 HD2 ARG 74 5.084 10.792 -2.118 596 HD3 ARG 74 HD3 ARG 74 5.609 12.456 -2.352 597 HE ARG 74 HE ARG 74 6.304 10.701 -0.113 598 HH11 ARG 74 2HH1 ARG 74 6.630 13.804 -1.704 599 HH12 ARG 74 1HH1 ARG 74 8.121 14.199 -0.896 600 HH21 ARG 74 2HH2 ARG 74 8.290 11.222 0.927 601 HH22 ARG 74 1HH2 ARG 74 9.053 12.743 0.595 602 H PHE 75 H PHE 75 3.206 9.816 2.682 603 HA PHE 75 HA PHE 75 0.340 9.939 2.932 604 HB2 PHE 75 HB2 PHE 75 2.112 7.807 4.097 605 HB3 PHE 75 HB3 PHE 75 0.462 7.667 3.500 606 HD1 PHE 75 HD2 PHE 75 0.022 7.487 1.102 607 HD2 PHE 75 HD1 PHE 75 3.985 7.738 2.597 608 HE1 PHE 75 HE2 PHE 75 0.889 6.727 -1.068 609 HE2 PHE 75 HE1 PHE 75 4.863 6.977 0.432 610 HZ PHE 75 HZ PHE 75 3.311 6.469 -1.408 611 H ASP 76 H ASP 76 2.769 11.255 4.656 612 HA ASP 76 HA ASP 76 2.317 10.557 7.331 613 HB2 ASP 76 HB2 ASP 76 4.310 11.769 6.629 614 HB3 ASP 76 HB3 ASP 76 3.333 13.146 6.135 615 H GLY 77 H GLY 77 0.992 13.222 5.390 616 HA2 GLY 77 HA1 GLY 77 -0.832 13.954 7.533 617 HA3 GLY 77 HA2 GLY 77 -0.662 14.764 5.984 618 H LYS 78 H LYS 78 -0.907 11.492 5.439 619 HA LYS 78 HA LYS 78 -3.775 11.772 4.864 620 HB2 LYS 78 HB2 LYS 78 -1.545 10.437 3.442 621 HB3 LYS 78 HB3 LYS 78 -3.081 9.581 3.440 622 HG2 LYS 78 HG2 LYS 78 -3.004 10.898 1.473 623 HG3 LYS 78 HG3 LYS 78 -4.151 11.664 2.569 624 HD2 LYS 78 HD2 LYS 78 -3.026 13.552 2.120 625 HD3 LYS 78 HD3 LYS 78 -1.802 12.913 3.223 626 HE2 LYS 78 HE2 LYS 78 -0.580 11.952 1.384 627 HE3 LYS 78 HE3 LYS 78 -1.843 12.418 0.248 628 HZ1 LYS 78 HZ1 LYS 78 -0.069 14.253 1.768 629 HZ2 LYS 78 HZ2 LYS 78 -1.372 14.759 0.814 630 HZ3 LYS 78 HZ3 LYS 78 -0.049 13.976 0.091 631 H VAL 79 H VAL 79 -4.648 9.279 4.609 632 HA VAL 79 HA VAL 79 -4.455 8.285 7.367 633 HB VAL 79 HB VAL 79 -6.571 7.672 5.288 634 HG11 VAL 79 2HG1 VAL 79 -6.516 7.144 8.257 635 HG12 VAL 79 1HG1 VAL 79 -6.331 5.933 6.990 636 HG13 VAL 79 3HG1 VAL 79 -7.860 6.795 7.168 637 HG21 VAL 79 3HG2 VAL 79 -8.017 9.190 6.560 638 HG22 VAL 79 2HG2 VAL 79 -6.619 10.032 5.890 639 HG23 VAL 79 1HG2 VAL 79 -6.656 9.608 7.601 640 H VAL 80 H VAL 80 -3.295 6.471 7.710 641 HA VAL 80 HA VAL 80 -2.950 4.653 5.423 642 HB VAL 80 HB VAL 80 -0.676 4.385 5.783 643 HG11 VAL 80 2HG1 VAL 80 -1.276 7.268 6.409 644 HG12 VAL 80 1HG1 VAL 80 -1.054 6.546 4.814 645 HG13 VAL 80 3HG1 VAL 80 0.305 6.655 5.932 646 HG21 VAL 80 3HG2 VAL 80 -0.746 3.972 8.179 647 HG22 VAL 80 2HG2 VAL 80 -0.955 5.698 8.483 648 HG23 VAL 80 1HG2 VAL 80 0.546 5.102 7.771 649 H LEU 81 H LEU 81 -2.715 2.478 5.849 650 HA LEU 81 HA LEU 81 -3.158 1.606 8.628 651 HB2 LEU 81 HB2 LEU 81 -5.017 1.195 6.889 652 HB3 LEU 81 HB3 LEU 81 -3.923 0.038 6.163 653 HG LEU 81 HG LEU 81 -5.696 -0.917 7.675 654 HD11 LEU 81 2HD1 LEU 81 -3.752 -2.220 7.089 655 HD12 LEU 81 1HD1 LEU 81 -4.188 -2.505 8.774 656 HD13 LEU 81 3HD1 LEU 81 -2.822 -1.461 8.381 657 HD21 LEU 81 3HD2 LEU 81 -5.299 -0.797 10.086 658 HD22 LEU 81 2HD2 LEU 81 -5.655 0.789 9.402 659 HD23 LEU 81 1HD2 LEU 81 -3.995 0.357 9.812 660 H GLU 82 H GLU 82 -1.226 0.980 9.361 661 HA GLU 82 HA GLU 82 0.734 -0.099 7.468 662 HB2 GLU 82 HB2 GLU 82 1.310 1.883 8.878 663 HB3 GLU 82 HB3 GLU 82 1.155 0.867 10.302 664 HG2 GLU 82 HG2 GLU 82 3.009 -0.474 9.636 665 HG3 GLU 82 HG3 GLU 82 3.088 0.326 8.066 666 H VAL 83 H VAL 83 1.474 -2.119 7.557 667 HA VAL 83 HA VAL 83 0.930 -3.805 9.887 668 HB VAL 83 HB VAL 83 0.136 -5.655 8.376 669 HG11 VAL 83 2HG1 VAL 83 -1.459 -4.478 9.744 670 HG12 VAL 83 1HG1 VAL 83 -2.176 -4.805 8.165 671 HG13 VAL 83 3HG1 VAL 83 -1.583 -3.189 8.548 672 HG21 VAL 83 3HG2 VAL 83 0.961 -4.740 6.261 673 HG22 VAL 83 2HG2 VAL 83 -0.208 -3.424 6.376 674 HG23 VAL 83 1HG2 VAL 83 -0.767 -5.087 6.187 675 HA PRO 84 HA PRO 84 4.842 -5.775 8.868 676 HB2 PRO 84 HB2 PRO 84 3.439 -8.393 8.894 677 HB3 PRO 84 HB3 PRO 84 4.845 -7.860 9.822 678 HG2 PRO 84 HG2 PRO 84 2.471 -8.110 10.991 679 HG3 PRO 84 HG3 PRO 84 3.551 -6.764 11.404 680 HD2 PRO 84 HD2 PRO 84 1.126 -6.778 9.647 681 HD3 PRO 84 HD3 PRO 84 1.655 -5.562 10.828 682 H VAL 85 H VAL 85 5.920 -6.604 7.075 683 HA VAL 85 HA VAL 85 4.667 -6.074 4.625 684 HB VAL 85 HB VAL 85 7.074 -5.772 5.022 685 HG11 VAL 85 2HG1 VAL 85 7.540 -7.776 6.304 686 HG12 VAL 85 1HG1 VAL 85 8.602 -7.682 4.898 687 HG13 VAL 85 3HG1 VAL 85 7.219 -8.777 4.888 688 HG21 VAL 85 3HG2 VAL 85 6.296 -5.818 2.742 689 HG22 VAL 85 2HG2 VAL 85 6.394 -7.579 2.709 690 HG23 VAL 85 1HG2 VAL 85 7.865 -6.616 2.842 691 H SER 86 H SER 86 5.143 -9.099 6.330 692 HA SER 86 HA SER 86 4.606 -10.762 4.061 693 HB2 SER 86 HB2 SER 86 4.468 -11.508 6.983 694 HB3 SER 86 HB3 SER 86 4.684 -12.597 5.612 695 HG SER 86 HG SER 86 6.500 -10.848 6.822 696 H ALA 87 H ALA 87 2.602 -9.001 6.208 697 HA ALA 87 HA ALA 87 0.426 -10.722 6.508 698 HB1 ALA 87 HB1 ALA 87 0.726 -8.681 7.823 699 HB2 ALA 87 HB2 ALA 87 0.348 -7.713 6.397 700 HB3 ALA 87 HB3 ALA 87 -0.878 -8.770 7.095 701 HA PRO 88 HA PRO 88 -1.708 -8.738 2.679 702 HB2 PRO 88 HB2 PRO 88 0.387 -7.428 1.109 703 HB3 PRO 88 HB3 PRO 88 -1.157 -6.787 1.674 704 HG2 PRO 88 HG2 PRO 88 1.186 -5.957 2.698 705 HG3 PRO 88 HG3 PRO 88 -0.284 -6.079 3.684 706 HD2 PRO 88 HD2 PRO 88 2.028 -7.983 3.490 707 HD3 PRO 88 HD3 PRO 88 1.166 -7.404 4.932 708 H ILE 89 H ILE 89 0.980 -10.659 2.783 709 HA ILE 89 HA ILE 89 1.279 -11.365 0.048 710 HB ILE 89 HB ILE 89 2.006 -12.807 2.592 711 HG12 ILE 89 2HG1 ILE 89 3.589 -11.393 0.438 712 HG13 ILE 89 3HG1 ILE 89 3.345 -10.857 2.096 713 HG21 ILE 89 2HG2 ILE 89 2.574 -13.715 -0.228 714 HG22 ILE 89 1HG2 ILE 89 1.496 -14.509 0.919 715 HG23 ILE 89 3HG2 ILE 89 3.230 -14.440 1.239 716 HD11 ILE 89 3HD1 ILE 89 4.651 -12.756 2.897 717 HD12 ILE 89 2HD1 ILE 89 5.570 -11.757 1.771 718 HD13 ILE 89 1HD1 ILE 89 4.886 -13.290 1.232 719 H LYS 90 H LYS 90 -0.518 -12.909 2.718 720 HA LYS 90 HA LYS 90 -1.956 -14.539 0.759 721 HB2 LYS 90 HB2 LYS 90 -2.019 -14.573 3.780 722 HB3 LYS 90 HB3 LYS 90 -2.947 -15.649 2.749 723 HG2 LYS 90 HG2 LYS 90 -0.850 -16.564 1.855 724 HG3 LYS 90 HG3 LYS 90 0.052 -15.515 2.952 725 HD2 LYS 90 HD2 LYS 90 -1.114 -16.570 4.860 726 HD3 LYS 90 HD3 LYS 90 -1.910 -17.669 3.733 727 HE2 LYS 90 HE2 LYS 90 0.263 -18.551 3.056 728 HE3 LYS 90 HE3 LYS 90 1.066 -17.436 4.165 729 HZ1 LYS 90 HZ1 LYS 90 0.855 -19.632 5.145 730 HZ2 LYS 90 HZ2 LYS 90 -0.830 -19.593 4.938 731 HZ3 LYS 90 HZ3 LYS 90 -0.083 -18.511 6.008 732 H ASP 91 H ASP 91 -2.433 -11.931 3.040 733 HA ASP 91 HA ASP 91 -5.334 -12.034 2.598 734 HB2 ASP 91 HB2 ASP 91 -3.703 -10.807 4.823 735 HB3 ASP 91 HB3 ASP 91 -5.447 -10.628 4.671 736 H ALA 92 H ALA 92 -3.822 -10.893 0.559 737 HA ALA 92 HA ALA 92 -3.444 -8.122 0.747 738 HB1 ALA 92 HB1 ALA 92 -2.558 -9.517 -1.082 739 HB2 ALA 92 HB2 ALA 92 -4.193 -9.702 -1.717 740 HB3 ALA 92 HB3 ALA 92 -3.435 -8.110 -1.679 741 H GLU 93 H GLU 93 -6.323 -9.958 -0.324 742 HA GLU 93 HA GLU 93 -7.875 -7.639 -0.857 743 HB2 GLU 93 HB2 GLU 93 -8.965 -10.330 -0.028 744 HB3 GLU 93 HB3 GLU 93 -9.781 -9.087 -0.965 745 HG2 GLU 93 HG2 GLU 93 -9.204 -10.471 -2.654 746 HG3 GLU 93 HG3 GLU 93 -7.729 -9.507 -2.590 747 H LYS 94 H LYS 94 -7.124 -9.407 2.016 748 HA LYS 94 HA LYS 94 -9.295 -8.403 3.600 749 HB2 LYS 94 HB2 LYS 94 -6.698 -9.703 4.443 750 HB3 LYS 94 HB3 LYS 94 -8.068 -9.393 5.498 751 HG2 LYS 94 HG2 LYS 94 -8.168 -11.169 3.071 752 HG3 LYS 94 HG3 LYS 94 -7.890 -11.737 4.718 753 HD2 LYS 94 HD2 LYS 94 -10.055 -10.852 5.403 754 HD3 LYS 94 HD3 LYS 94 -10.335 -10.240 3.771 755 HE2 LYS 94 HE2 LYS 94 -10.316 -12.497 2.891 756 HE3 LYS 94 HE3 LYS 94 -9.926 -13.141 4.485 757 HZ1 LYS 94 HZ1 LYS 94 -12.414 -11.648 3.843 758 HZ2 LYS 94 HZ2 LYS 94 -12.044 -12.423 5.305 759 HZ3 LYS 94 HZ3 LYS 94 -12.298 -13.338 3.901 760 H VAL 95 H VAL 95 -5.897 -7.644 3.135 761 HA VAL 95 HA VAL 95 -5.681 -5.646 5.115 762 HB VAL 95 HB VAL 95 -3.854 -6.901 3.801 763 HG11 VAL 95 2HG1 VAL 95 -4.493 -6.289 1.575 764 HG12 VAL 95 1HG1 VAL 95 -2.861 -5.712 1.936 765 HG13 VAL 95 3HG1 VAL 95 -4.216 -4.583 1.946 766 HG21 VAL 95 3HG2 VAL 95 -3.541 -3.972 4.384 767 HG22 VAL 95 2HG2 VAL 95 -2.223 -5.129 4.199 768 HG23 VAL 95 1HG2 VAL 95 -3.360 -5.292 5.540 769 H ILE 96 H ILE 96 -6.534 -5.574 1.714 770 HA ILE 96 HA ILE 96 -6.831 -2.793 1.406 771 HB ILE 96 HB ILE 96 -8.271 -5.061 0.016 772 HG12 ILE 96 2HG1 ILE 96 -5.987 -3.278 -0.862 773 HG13 ILE 96 3HG1 ILE 96 -5.826 -4.946 -0.325 774 HG21 ILE 96 2HG2 ILE 96 -8.230 -2.136 -0.719 775 HG22 ILE 96 1HG2 ILE 96 -9.621 -3.027 -0.101 776 HG23 ILE 96 3HG2 ILE 96 -8.942 -3.434 -1.678 777 HD11 ILE 96 3HD1 ILE 96 -5.733 -4.762 -2.750 778 HD12 ILE 96 2HD1 ILE 96 -7.334 -4.024 -2.762 779 HD13 ILE 96 1HD1 ILE 96 -7.138 -5.695 -2.232 780 H ASN 97 H ASN 97 -9.183 -5.279 2.367 781 HA ASN 97 HA ASN 97 -11.371 -3.569 2.765 782 HB2 ASN 97 HB2 ASN 97 -10.641 -6.297 3.729 783 HB3 ASN 97 HB3 ASN 97 -11.979 -5.466 4.516 784 HD21 ASN 97 1HD2 ASN 97 -10.824 -6.885 1.553 785 HD22 ASN 97 2HD2 ASN 97 -12.360 -6.944 0.756 786 H ALA 98 H ALA 98 -8.746 -4.546 4.905 787 HA ALA 98 HA ALA 98 -9.687 -3.359 7.265 788 HB1 ALA 98 HB1 ALA 98 -7.811 -4.948 7.182 789 HB2 ALA 98 HB2 ALA 98 -6.821 -3.716 6.398 790 HB3 ALA 98 HB3 ALA 98 -7.393 -3.469 8.047 791 H ALA 99 H ALA 99 -7.766 -2.059 4.592 792 HA ALA 99 HA ALA 99 -7.364 0.516 5.710 793 HB1 ALA 99 HB1 ALA 99 -6.006 -0.319 3.866 794 HB2 ALA 99 HB2 ALA 99 -7.423 -0.328 2.816 795 HB3 ALA 99 HB3 ALA 99 -6.790 1.198 3.428 796 H LEU 100 H LEU 100 -9.775 -0.776 3.454 797 HA LEU 100 HA LEU 100 -11.248 1.564 3.048 798 HB2 LEU 100 HB2 LEU 100 -12.186 -1.305 3.074 799 HB3 LEU 100 HB3 LEU 100 -13.123 0.043 2.459 800 HG LEU 100 HG LEU 100 -10.477 -0.895 1.340 801 HD11 LEU 100 2HD1 LEU 100 -11.804 -1.645 -0.570 802 HD12 LEU 100 1HD1 LEU 100 -13.281 -1.176 0.271 803 HD13 LEU 100 3HD1 LEU 100 -12.279 -2.479 0.911 804 HD21 LEU 100 3HD2 LEU 100 -10.948 0.668 -0.485 805 HD22 LEU 100 2HD2 LEU 100 -10.806 1.511 1.058 806 HD23 LEU 100 1HD2 LEU 100 -12.398 1.217 0.358 807 H ALA 101 H ALA 101 -11.163 -0.645 5.719 808 HA ALA 101 HA ALA 101 -13.560 0.085 6.995 809 HB1 ALA 101 HB1 ALA 101 -10.995 -0.902 8.234 810 HB2 ALA 101 HB2 ALA 101 -12.585 -0.894 9.000 811 HB3 ALA 101 HB3 ALA 101 -12.289 -1.912 7.589 812 H LEU 102 H LEU 102 -10.557 1.767 6.677 813 HA LEU 102 HA LEU 102 -10.909 3.437 8.992 814 HB2 LEU 102 HB2 LEU 102 -8.994 3.361 6.711 815 HB3 LEU 102 HB3 LEU 102 -9.140 4.849 7.621 816 HG LEU 102 HG LEU 102 -7.275 3.527 8.436 817 HD11 LEU 102 2HD1 LEU 102 -9.575 3.575 10.381 818 HD12 LEU 102 1HD1 LEU 102 -8.466 4.903 10.040 819 HD13 LEU 102 3HD1 LEU 102 -7.870 3.430 10.807 820 HD21 LEU 102 3HD2 LEU 102 -7.622 1.361 9.516 821 HD22 LEU 102 2HD2 LEU 102 -8.060 1.309 7.809 822 HD23 LEU 102 1HD2 LEU 102 -9.319 1.395 9.040 823 H ILE 103 H ILE 103 -12.189 3.443 5.819 824 HA ILE 103 HA ILE 103 -12.952 6.271 6.138 825 HB ILE 103 HB ILE 103 -13.326 6.282 3.651 826 HG12 ILE 103 2HG1 ILE 103 -11.692 3.737 3.769 827 HG13 ILE 103 3HG1 ILE 103 -13.401 3.820 3.358 828 HG21 ILE 103 2HG2 ILE 103 -10.956 6.614 3.134 829 HG22 ILE 103 1HG2 ILE 103 -10.520 5.811 4.642 830 HG23 ILE 103 3HG2 ILE 103 -11.399 7.339 4.680 831 HD11 ILE 103 3HD1 ILE 103 -12.040 3.604 1.370 832 HD12 ILE 103 2HD1 ILE 103 -11.144 5.060 1.804 833 HD13 ILE 103 1HD1 ILE 103 -12.855 5.167 1.394 834 H ASP 104 H ASP 104 -14.148 3.039 5.482 835 HA ASP 104 HA ASP 104 -16.872 4.107 5.730 836 HB2 ASP 104 HB2 ASP 104 -16.350 3.745 3.317 837 HB3 ASP 104 HB3 ASP 104 -16.091 2.039 3.669 838 H GLU 105 H GLU 105 -14.780 1.279 5.794 839 HA GLU 105 HA GLU 105 -14.804 -0.639 6.994 840 HB2 GLU 105 HB2 GLU 105 -15.388 1.225 8.811 841 HB3 GLU 105 HB3 GLU 105 -16.913 0.357 8.851 842 HG2 GLU 105 HG2 GLU 105 -14.207 -0.877 9.313 843 HG3 GLU 105 HG3 GLU 105 -15.327 -0.384 10.579 844 H LYS 106 H LYS 106 -15.862 -1.359 4.982 845 HA LYS 106 HA LYS 106 -17.981 -3.116 5.459 846 HB2 LYS 106 HB2 LYS 106 -19.360 -1.071 5.501 847 HB3 LYS 106 HB3 LYS 106 -18.749 -0.624 3.917 848 HG2 LYS 106 HG2 LYS 106 -19.737 -2.891 3.161 849 HG3 LYS 106 HG3 LYS 106 -20.665 -2.795 4.660 850 HD2 LYS 106 HD2 LYS 106 -22.083 -1.784 3.132 851 HD3 LYS 106 HD3 LYS 106 -21.255 -0.404 3.849 852 HE2 LYS 106 HE2 LYS 106 -20.648 -1.712 1.198 853 HE3 LYS 106 HE3 LYS 106 -21.366 -0.124 1.451 854 HZ1 LYS 106 HZ1 LYS 106 -19.075 0.158 0.913 855 HZ2 LYS 106 HZ2 LYS 106 -18.588 -0.960 2.093 856 HZ3 LYS 106 HZ3 LYS 106 -19.251 0.531 2.562 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -16.218 3.578 -6.260 2 H2 MET 1 H2 MET 1 -16.615 2.378 -5.132 3 H3 MET 1 H3 MET 1 -17.820 3.040 -6.123 4 HA MET 1 HA MET 1 -17.189 0.855 -6.891 5 HB2 MET 1 HB2 MET 1 -17.858 2.638 -8.521 6 HB3 MET 1 HB3 MET 1 -16.153 3.000 -8.753 7 HG2 MET 1 HG2 MET 1 -15.843 0.621 -9.478 8 HG3 MET 1 HG3 MET 1 -17.597 0.455 -9.445 9 HE1 MET 1 HE1 MET 1 -16.154 -0.303 -12.066 10 HE2 MET 1 HE2 MET 1 -17.908 -0.231 -11.887 11 HE3 MET 1 HE3 MET 1 -17.127 0.556 -13.259 12 H LYS 2 H LYS 2 -14.508 3.030 -7.730 13 HA LYS 2 HA LYS 2 -12.657 0.818 -7.116 14 HB2 LYS 2 HB2 LYS 2 -12.181 3.120 -9.015 15 HB3 LYS 2 HB3 LYS 2 -11.119 1.749 -8.745 16 HG2 LYS 2 HG2 LYS 2 -12.934 0.280 -9.649 17 HG3 LYS 2 HG3 LYS 2 -13.807 1.751 -10.088 18 HD2 LYS 2 HD2 LYS 2 -11.826 2.467 -11.406 19 HD3 LYS 2 HD3 LYS 2 -11.075 0.911 -11.056 20 HE2 LYS 2 HE2 LYS 2 -12.027 0.696 -13.196 21 HE3 LYS 2 HE3 LYS 2 -13.114 -0.156 -12.102 22 HZ1 LYS 2 HZ1 LYS 2 -14.316 1.215 -13.690 23 HZ2 LYS 2 HZ2 LYS 2 -13.518 2.604 -13.132 24 HZ3 LYS 2 HZ3 LYS 2 -14.575 1.764 -12.107 25 H ARG 3 H ARG 3 -12.139 1.288 -5.031 26 HA ARG 3 HA ARG 3 -11.716 3.874 -4.005 27 HB2 ARG 3 HB2 ARG 3 -12.149 1.874 -2.606 28 HB3 ARG 3 HB3 ARG 3 -10.551 1.264 -3.011 29 HG2 ARG 3 HG2 ARG 3 -10.541 2.291 -0.822 30 HG3 ARG 3 HG3 ARG 3 -9.540 3.222 -1.941 31 HD2 ARG 3 HD2 ARG 3 -10.906 4.701 -0.578 32 HD3 ARG 3 HD3 ARG 3 -11.375 4.795 -2.273 33 HE ARG 3 HE ARG 3 -13.002 2.898 -1.021 34 HH11 ARG 3 2HH1 ARG 3 -12.490 6.370 -1.119 35 HH12 ARG 3 1HH1 ARG 3 -14.092 6.733 -0.528 36 HH21 ARG 3 2HH2 ARG 3 -15.091 3.386 -0.264 37 HH22 ARG 3 1HH2 ARG 3 -15.560 5.044 -0.054 38 H LYS 4 H LYS 4 -9.991 5.176 -3.975 39 HA LYS 4 HA LYS 4 -7.733 4.512 -5.644 40 HB2 LYS 4 HB2 LYS 4 -8.022 6.977 -3.936 41 HB3 LYS 4 HB3 LYS 4 -7.087 6.784 -5.409 42 HG2 LYS 4 HG2 LYS 4 -10.090 6.803 -5.213 43 HG3 LYS 4 HG3 LYS 4 -9.075 8.127 -5.785 44 HD2 LYS 4 HD2 LYS 4 -8.323 6.775 -7.655 45 HD3 LYS 4 HD3 LYS 4 -9.256 5.399 -7.062 46 HE2 LYS 4 HE2 LYS 4 -10.380 8.053 -7.947 47 HE3 LYS 4 HE3 LYS 4 -10.422 6.554 -8.874 48 HZ1 LYS 4 HZ1 LYS 4 -11.737 7.007 -6.244 49 HZ2 LYS 4 HZ2 LYS 4 -11.777 5.564 -7.130 50 HZ3 LYS 4 HZ3 LYS 4 -12.520 6.957 -7.750 51 H ILE 5 H ILE 5 -6.161 3.275 -4.826 52 HA ILE 5 HA ILE 5 -5.477 3.618 -1.976 53 HB ILE 5 HB ILE 5 -5.225 1.120 -3.660 54 HG12 ILE 5 2HG1 ILE 5 -7.094 1.754 -1.366 55 HG13 ILE 5 3HG1 ILE 5 -7.559 1.687 -3.062 56 HG21 ILE 5 2HG2 ILE 5 -4.612 0.018 -1.560 57 HG22 ILE 5 1HG2 ILE 5 -4.655 1.577 -0.737 58 HG23 ILE 5 3HG2 ILE 5 -3.460 1.279 -2.000 59 HD11 ILE 5 3HD1 ILE 5 -6.568 -0.600 -1.375 60 HD12 ILE 5 2HD1 ILE 5 -6.922 -0.695 -3.101 61 HD13 ILE 5 1HD1 ILE 5 -8.214 -0.341 -1.953 62 H ILE 6 H ILE 6 -3.459 4.266 -1.537 63 HA ILE 6 HA ILE 6 -1.372 3.614 -3.506 64 HB ILE 6 HB ILE 6 0.019 5.428 -2.625 65 HG12 ILE 6 2HG1 ILE 6 -1.166 5.488 -0.344 66 HG13 ILE 6 3HG1 ILE 6 -0.665 7.027 -1.032 67 HG21 ILE 6 2HG2 ILE 6 -1.348 5.834 -4.583 68 HG22 ILE 6 1HG2 ILE 6 -1.201 7.304 -3.618 69 HG23 ILE 6 3HG2 ILE 6 -2.689 6.357 -3.563 70 HD11 ILE 6 3HD1 ILE 6 -2.881 7.135 -0.020 71 HD12 ILE 6 2HD1 ILE 6 -3.450 5.892 -1.134 72 HD13 ILE 6 1HD1 ILE 6 -2.937 7.461 -1.752 73 H ALA 7 H ALA 7 0.161 2.250 -2.852 74 HA ALA 7 HA ALA 7 0.315 1.654 0.024 75 HB1 ALA 7 HB1 ALA 7 0.062 -0.407 -2.165 76 HB2 ALA 7 HB2 ALA 7 0.298 -0.741 -0.449 77 HB3 ALA 7 HB3 ALA 7 -1.190 0.026 -1.002 78 H VAL 8 H VAL 8 2.317 1.162 0.773 79 HA VAL 8 HA VAL 8 4.472 1.056 -1.235 80 HB VAL 8 HB VAL 8 4.665 2.199 1.558 81 HG11 VAL 8 2HG1 VAL 8 6.758 1.203 0.798 82 HG12 VAL 8 1HG1 VAL 8 6.888 2.959 0.865 83 HG13 VAL 8 3HG1 VAL 8 6.683 2.151 -0.689 84 HG21 VAL 8 3HG2 VAL 8 4.923 4.375 0.441 85 HG22 VAL 8 2HG2 VAL 8 3.346 3.650 0.127 86 HG23 VAL 8 1HG2 VAL 8 4.600 3.604 -1.112 87 H THR 9 H THR 9 5.586 -0.756 -1.254 88 HA THR 9 HA THR 9 5.627 -2.415 1.171 89 HB THR 9 HB THR 9 6.429 -4.250 -0.353 90 HG1 THR 9 HG1 THR 9 6.035 -2.201 -2.250 91 HG21 THR 9 3HG2 THR 9 4.230 -4.724 -1.311 92 HG22 THR 9 1HG2 THR 9 3.747 -3.050 -1.039 93 HG23 THR 9 2HG2 THR 9 4.088 -4.103 0.335 94 H ALA 10 H ALA 10 7.535 -2.738 2.210 95 HA ALA 10 HA ALA 10 10.022 -2.012 0.864 96 HB1 ALA 10 HB1 ALA 10 10.718 -0.494 2.646 97 HB2 ALA 10 HB2 ALA 10 9.259 0.090 1.845 98 HB3 ALA 10 HB3 ALA 10 9.148 -0.683 3.427 99 H CYS 11 H CYS 11 11.255 -3.728 1.164 100 HA CYS 11 HA CYS 11 11.766 -4.644 3.861 101 HB2 CYS 11 HB2 CYS 11 9.814 -6.006 3.048 102 HB3 CYS 11 HB3 CYS 11 10.840 -6.613 1.754 103 HG CYS 11 HG CYS 11 12.158 -7.010 4.801 104 H ALA 12 H ALA 12 13.867 -5.027 4.073 105 HA ALA 12 HA ALA 12 15.477 -5.217 1.622 106 HB1 ALA 12 HB1 ALA 12 17.343 -4.435 2.974 107 HB2 ALA 12 HB2 ALA 12 15.978 -3.329 3.106 108 HB3 ALA 12 HB3 ALA 12 16.329 -4.455 4.416 109 H THR 13 H THR 13 14.516 -6.919 4.446 110 HA THR 13 HA THR 13 16.577 -8.959 4.111 111 HB THR 13 HB THR 13 15.411 -10.019 6.089 112 HG1 THR 13 HG1 THR 13 14.229 -7.503 6.576 113 HG21 THR 13 3HG2 THR 13 16.511 -7.228 6.449 114 HG22 THR 13 1HG2 THR 13 17.461 -8.708 6.329 115 HG23 THR 13 2HG2 THR 13 16.390 -8.459 7.707 116 H GLY 14 H GLY 14 16.210 -10.485 2.631 117 HA2 GLY 14 HA1 GLY 14 15.075 -11.989 1.297 118 HA3 GLY 14 HA2 GLY 14 13.714 -11.864 2.411 119 H VAL 15 H VAL 15 15.407 -10.095 -0.111 120 HA VAL 15 HA VAL 15 13.654 -8.018 -0.542 121 HB VAL 15 HB VAL 15 15.918 -8.218 -1.529 122 HG11 VAL 15 2HG1 VAL 15 15.819 -10.503 -2.325 123 HG12 VAL 15 1HG1 VAL 15 16.213 -9.408 -3.651 124 HG13 VAL 15 3HG1 VAL 15 14.580 -10.060 -3.502 125 HG21 VAL 15 3HG2 VAL 15 15.405 -7.088 -3.638 126 HG22 VAL 15 2HG2 VAL 15 14.395 -6.497 -2.318 127 HG23 VAL 15 1HG2 VAL 15 13.727 -7.613 -3.508 128 H ALA 16 H ALA 16 13.243 -11.342 -1.487 129 HA ALA 16 HA ALA 16 11.367 -11.064 -3.553 130 HB1 ALA 16 HB1 ALA 16 11.534 -13.232 -1.463 131 HB2 ALA 16 HB2 ALA 16 10.657 -13.332 -2.991 132 HB3 ALA 16 HB3 ALA 16 12.415 -13.195 -2.992 133 H HIS 17 H HIS 17 11.077 -10.599 -0.128 134 HA HIS 17 HA HIS 17 8.314 -10.898 0.237 135 HB2 HIS 17 HB2 HIS 17 10.303 -9.072 1.594 136 HB3 HIS 17 HB3 HIS 17 8.625 -9.211 2.106 137 HD1 HIS 17 HD1 HIS 17 11.271 -10.058 3.740 138 HD2 HIS 17 HD2 HIS 17 8.602 -12.571 1.783 139 HE1 HIS 17 HE1 HIS 17 11.446 -12.272 4.915 140 HE2 HIS 17 HE2 HIS 17 9.739 -13.749 3.795 141 H THR 18 H THR 18 10.211 -8.037 -0.605 142 HA THR 18 HA THR 18 8.092 -6.213 -0.655 143 HB THR 18 HB THR 18 10.553 -5.984 -2.376 144 HG1 THR 18 HG1 THR 18 11.735 -5.571 -0.580 145 HG21 THR 18 3HG2 THR 18 10.381 -3.617 -1.765 146 HG22 THR 18 1HG2 THR 18 8.966 -3.971 -0.773 147 HG23 THR 18 2HG2 THR 18 8.891 -4.182 -2.522 148 H TYR 19 H TYR 19 9.152 -8.569 -2.973 149 HA TYR 19 HA TYR 19 7.681 -7.280 -5.134 150 HB2 TYR 19 HB2 TYR 19 9.411 -9.754 -5.071 151 HB3 TYR 19 HB3 TYR 19 8.540 -9.210 -6.504 152 HD1 TYR 19 HD1 TYR 19 8.921 -6.539 -6.923 153 HD2 TYR 19 HD2 TYR 19 11.651 -9.191 -5.021 154 HE1 TYR 19 HE1 TYR 19 10.773 -5.036 -7.503 155 HE2 TYR 19 HE2 TYR 19 13.514 -7.692 -5.600 156 HH TYR 19 HH TYR 19 13.050 -4.515 -6.696 157 H MET 20 H MET 20 7.602 -10.274 -3.247 158 HA MET 20 HA MET 20 5.351 -11.394 -4.525 159 HB2 MET 20 HB2 MET 20 6.909 -12.658 -3.059 160 HB3 MET 20 HB3 MET 20 6.258 -11.799 -1.668 161 HG2 MET 20 HG2 MET 20 5.257 -13.973 -1.807 162 HG3 MET 20 HG3 MET 20 4.040 -12.745 -2.153 163 HE1 MET 20 HE1 MET 20 3.632 -15.817 -2.800 164 HE2 MET 20 HE2 MET 20 2.423 -14.596 -3.202 165 HE3 MET 20 HE3 MET 20 2.948 -15.757 -4.425 166 H ALA 21 H ALA 21 5.695 -9.281 -1.704 167 HA ALA 21 HA ALA 21 2.972 -9.266 -0.974 168 HB1 ALA 21 HB1 ALA 21 4.773 -8.505 0.511 169 HB2 ALA 21 HB2 ALA 21 5.023 -7.102 -0.526 170 HB3 ALA 21 HB3 ALA 21 3.498 -7.298 0.340 171 H ALA 22 H ALA 22 4.860 -7.120 -3.081 172 HA ALA 22 HA ALA 22 2.829 -5.244 -3.592 173 HB1 ALA 22 HB1 ALA 22 5.165 -4.800 -4.098 174 HB2 ALA 22 HB2 ALA 22 5.158 -6.057 -5.334 175 HB3 ALA 22 HB3 ALA 22 4.176 -4.607 -5.545 176 H GLN 23 H GLN 23 3.716 -8.244 -5.314 177 HA GLN 23 HA GLN 23 1.762 -7.767 -7.358 178 HB2 GLN 23 HB2 GLN 23 2.331 -9.979 -8.210 179 HB3 GLN 23 HB3 GLN 23 3.773 -9.029 -7.895 180 HG2 GLN 23 HG2 GLN 23 4.228 -10.266 -5.900 181 HG3 GLN 23 HG3 GLN 23 2.687 -11.115 -6.023 182 HE21 GLN 23 1HE2 GLN 23 2.902 -11.422 -8.909 183 HE22 GLN 23 2HE2 GLN 23 4.070 -12.671 -9.172 184 H ALA 24 H ALA 24 1.879 -9.716 -4.408 185 HA ALA 24 HA ALA 24 -0.592 -11.046 -4.865 186 HB1 ALA 24 HB1 ALA 24 -0.509 -11.623 -2.502 187 HB2 ALA 24 HB2 ALA 24 1.068 -11.861 -3.253 188 HB3 ALA 24 HB3 ALA 24 0.776 -10.444 -2.244 189 H LEU 25 H LEU 25 0.331 -8.098 -3.169 190 HA LEU 25 HA LEU 25 -2.218 -7.335 -2.264 191 HB2 LEU 25 HB2 LEU 25 -0.117 -6.340 -1.483 192 HB3 LEU 25 HB3 LEU 25 0.149 -5.638 -3.065 193 HG LEU 25 HG LEU 25 -1.859 -4.227 -2.753 194 HD11 LEU 25 2HD1 LEU 25 -3.096 -5.656 -1.216 195 HD12 LEU 25 1HD1 LEU 25 -2.852 -4.055 -0.519 196 HD13 LEU 25 3HD1 LEU 25 -1.866 -5.413 0.023 197 HD21 LEU 25 3HD2 LEU 25 0.160 -4.007 -0.523 198 HD22 LEU 25 2HD2 LEU 25 -0.833 -2.706 -1.177 199 HD23 LEU 25 1HD2 LEU 25 0.414 -3.453 -2.179 200 H LYS 26 H LYS 26 -0.506 -6.742 -5.294 201 HA LYS 26 HA LYS 26 -2.398 -5.062 -6.511 202 HB2 LYS 26 HB2 LYS 26 -0.054 -5.535 -7.307 203 HB3 LYS 26 HB3 LYS 26 -0.630 -7.090 -7.888 204 HG2 LYS 26 HG2 LYS 26 -2.197 -5.932 -9.385 205 HG3 LYS 26 HG3 LYS 26 -1.558 -4.385 -8.821 206 HD2 LYS 26 HD2 LYS 26 -0.003 -6.551 -10.235 207 HD3 LYS 26 HD3 LYS 26 -0.530 -5.018 -10.935 208 HE2 LYS 26 HE2 LYS 26 0.900 -3.781 -9.448 209 HE3 LYS 26 HE3 LYS 26 1.312 -5.247 -8.558 210 HZ1 LYS 26 HZ1 LYS 26 3.091 -4.691 -10.044 211 HZ2 LYS 26 HZ2 LYS 26 2.040 -4.626 -11.371 212 HZ3 LYS 26 HZ3 LYS 26 2.344 -6.108 -10.603 213 H LYS 27 H LYS 27 -2.079 -8.588 -6.431 214 HA LYS 27 HA LYS 27 -4.286 -9.220 -8.055 215 HB2 LYS 27 HB2 LYS 27 -3.029 -10.721 -5.773 216 HB3 LYS 27 HB3 LYS 27 -4.298 -11.388 -6.781 217 HG2 LYS 27 HG2 LYS 27 -1.574 -10.507 -7.710 218 HG3 LYS 27 HG3 LYS 27 -2.106 -12.174 -7.474 219 HD2 LYS 27 HD2 LYS 27 -3.865 -11.789 -9.189 220 HD3 LYS 27 HD3 LYS 27 -3.173 -10.192 -9.483 221 HE2 LYS 27 HE2 LYS 27 -2.349 -11.755 -11.133 222 HE3 LYS 27 HE3 LYS 27 -1.030 -11.260 -10.072 223 HZ1 LYS 27 HZ1 LYS 27 -1.317 -13.333 -8.837 224 HZ2 LYS 27 HZ2 LYS 27 -0.973 -13.634 -10.464 225 HZ3 LYS 27 HZ3 LYS 27 -2.560 -13.804 -9.889 226 H GLY 28 H GLY 28 -4.007 -8.897 -4.538 227 HA2 GLY 28 HA1 GLY 28 -6.681 -9.383 -3.875 228 HA3 GLY 28 HA2 GLY 28 -5.567 -8.415 -2.921 229 H ALA 29 H ALA 29 -5.094 -6.391 -4.874 230 HA ALA 29 HA ALA 29 -7.277 -4.671 -4.369 231 HB1 ALA 29 HB1 ALA 29 -6.128 -3.076 -5.796 232 HB2 ALA 29 HB2 ALA 29 -4.980 -3.871 -4.722 233 HB3 ALA 29 HB3 ALA 29 -5.082 -4.352 -6.414 234 H LYS 30 H LYS 30 -6.238 -6.378 -7.309 235 HA LYS 30 HA LYS 30 -8.415 -5.471 -8.900 236 HB2 LYS 30 HB2 LYS 30 -6.156 -6.491 -9.647 237 HB3 LYS 30 HB3 LYS 30 -6.951 -8.043 -9.403 238 HG2 LYS 30 HG2 LYS 30 -8.709 -7.374 -10.980 239 HG3 LYS 30 HG3 LYS 30 -7.864 -5.847 -11.247 240 HD2 LYS 30 HD2 LYS 30 -5.863 -7.244 -11.935 241 HD3 LYS 30 HD3 LYS 30 -6.967 -8.624 -11.965 242 HE2 LYS 30 HE2 LYS 30 -7.193 -6.088 -13.572 243 HE3 LYS 30 HE3 LYS 30 -6.765 -7.684 -14.186 244 HZ1 LYS 30 HZ1 LYS 30 -9.384 -6.861 -13.042 245 HZ2 LYS 30 HZ2 LYS 30 -8.997 -8.448 -13.498 246 HZ3 LYS 30 HZ3 LYS 30 -9.058 -7.220 -14.666 247 H LYS 31 H LYS 31 -7.961 -8.069 -6.657 248 HA LYS 31 HA LYS 31 -10.099 -9.750 -7.345 249 HB2 LYS 31 HB2 LYS 31 -8.370 -10.440 -5.787 250 HB3 LYS 31 HB3 LYS 31 -8.801 -9.152 -4.676 251 HG2 LYS 31 HG2 LYS 31 -9.680 -11.116 -3.749 252 HG3 LYS 31 HG3 LYS 31 -11.056 -10.271 -4.456 253 HD2 LYS 31 HD2 LYS 31 -11.001 -11.725 -6.390 254 HD3 LYS 31 HD3 LYS 31 -9.546 -12.520 -5.786 255 HE2 LYS 31 HE2 LYS 31 -12.228 -12.503 -4.407 256 HE3 LYS 31 HE3 LYS 31 -11.586 -13.836 -5.362 257 HZ1 LYS 31 HZ1 LYS 31 -11.269 -14.142 -2.958 258 HZ2 LYS 31 HZ2 LYS 31 -10.305 -12.750 -2.900 259 HZ3 LYS 31 HZ3 LYS 31 -9.795 -14.099 -3.791 260 H MET 32 H MET 32 -9.892 -6.891 -5.311 261 HA MET 32 HA MET 32 -12.733 -7.052 -4.674 262 HB2 MET 32 HB2 MET 32 -10.584 -5.154 -3.723 263 HB3 MET 32 HB3 MET 32 -12.251 -5.147 -3.164 264 HG2 MET 32 HG2 MET 32 -10.299 -7.414 -2.850 265 HG3 MET 32 HG3 MET 32 -10.763 -6.272 -1.595 266 HE1 MET 32 HE1 MET 32 -13.274 -6.099 -0.630 267 HE2 MET 32 HE2 MET 32 -13.905 -5.957 -2.272 268 HE3 MET 32 HE3 MET 32 -14.589 -7.147 -1.164 269 H GLY 33 H GLY 33 -10.766 -5.655 -7.005 270 HA2 GLY 33 HA1 GLY 33 -11.399 -4.387 -8.831 271 HA3 GLY 33 HA2 GLY 33 -12.998 -4.236 -8.123 272 H ASN 34 H ASN 34 -9.695 -3.180 -7.275 273 HA ASN 34 HA ASN 34 -10.776 -0.454 -6.943 274 HB2 ASN 34 HB2 ASN 34 -8.566 -1.718 -5.302 275 HB3 ASN 34 HB3 ASN 34 -9.187 -0.082 -5.115 276 HD21 ASN 34 1HD2 ASN 34 -9.678 -3.418 -4.468 277 HD22 ASN 34 2HD2 ASN 34 -11.051 -3.235 -3.434 278 H LEU 35 H LEU 35 -8.794 1.135 -6.821 279 HA LEU 35 HA LEU 35 -6.921 0.451 -8.996 280 HB2 LEU 35 HB2 LEU 35 -7.989 3.149 -8.151 281 HB3 LEU 35 HB3 LEU 35 -6.740 2.911 -9.357 282 HG LEU 35 HG LEU 35 -9.591 1.942 -9.570 283 HD11 LEU 35 2HD1 LEU 35 -9.790 3.631 -11.330 284 HD12 LEU 35 1HD1 LEU 35 -8.155 4.190 -10.977 285 HD13 LEU 35 3HD1 LEU 35 -9.426 4.359 -9.764 286 HD21 LEU 35 3HD2 LEU 35 -7.320 1.825 -11.552 287 HD22 LEU 35 2HD2 LEU 35 -8.993 1.372 -11.878 288 HD23 LEU 35 1HD2 LEU 35 -8.041 0.453 -10.711 289 H ILE 36 H ILE 36 -4.919 0.110 -8.261 290 HA ILE 36 HA ILE 36 -4.196 1.372 -5.713 291 HB ILE 36 HB ILE 36 -4.637 -1.051 -5.496 292 HG12 ILE 36 2HG1 ILE 36 -1.733 -0.315 -5.081 293 HG13 ILE 36 3HG1 ILE 36 -3.048 0.174 -4.022 294 HG21 ILE 36 2HG2 ILE 36 -3.917 -1.775 -7.708 295 HG22 ILE 36 1HG2 ILE 36 -3.063 -2.664 -6.447 296 HG23 ILE 36 3HG2 ILE 36 -2.248 -1.361 -7.312 297 HD11 ILE 36 3HD1 ILE 36 -3.512 -2.150 -3.502 298 HD12 ILE 36 2HD1 ILE 36 -1.841 -1.730 -3.123 299 HD13 ILE 36 1HD1 ILE 36 -2.208 -2.658 -4.576 300 H LYS 37 H LYS 37 -2.283 2.261 -5.489 301 HA LYS 37 HA LYS 37 -0.357 2.141 -7.719 302 HB2 LYS 37 HB2 LYS 37 -1.309 4.368 -7.429 303 HB3 LYS 37 HB3 LYS 37 -0.951 4.332 -5.711 304 HG2 LYS 37 HG2 LYS 37 0.747 5.640 -6.448 305 HG3 LYS 37 HG3 LYS 37 1.517 4.060 -6.564 306 HD2 LYS 37 HD2 LYS 37 0.124 5.409 -8.866 307 HD3 LYS 37 HD3 LYS 37 1.847 5.582 -8.536 308 HE2 LYS 37 HE2 LYS 37 2.030 3.092 -8.689 309 HE3 LYS 37 HE3 LYS 37 0.352 3.063 -9.232 310 HZ1 LYS 37 HZ1 LYS 37 2.633 4.407 -10.574 311 HZ2 LYS 37 HZ2 LYS 37 1.017 4.560 -11.061 312 HZ3 LYS 37 HZ3 LYS 37 1.780 3.053 -11.131 313 H VAL 38 H VAL 38 1.067 0.567 -7.064 314 HA VAL 38 HA VAL 38 1.775 0.479 -4.214 315 HB VAL 38 HB VAL 38 0.934 -1.623 -5.107 316 HG11 VAL 38 2HG1 VAL 38 3.270 -1.535 -7.006 317 HG12 VAL 38 1HG1 VAL 38 1.565 -1.402 -7.433 318 HG13 VAL 38 3HG1 VAL 38 2.193 -2.910 -6.769 319 HG21 VAL 38 3HG2 VAL 38 3.876 -1.717 -4.459 320 HG22 VAL 38 2HG2 VAL 38 2.780 -3.099 -4.416 321 HG23 VAL 38 1HG2 VAL 38 2.541 -1.749 -3.308 322 H GLU 39 H GLU 39 3.690 0.996 -3.481 323 HA GLU 39 HA GLU 39 5.849 1.625 -5.370 324 HB2 GLU 39 HB2 GLU 39 4.866 3.074 -3.293 325 HB3 GLU 39 HB3 GLU 39 6.156 2.201 -2.479 326 HG2 GLU 39 HG2 GLU 39 6.504 3.895 -4.942 327 HG3 GLU 39 HG3 GLU 39 6.834 4.424 -3.295 328 H THR 40 H THR 40 7.989 0.852 -4.933 329 HA THR 40 HA THR 40 8.071 -1.588 -3.288 330 HB THR 40 HB THR 40 9.371 -1.304 -6.002 331 HG1 THR 40 HG1 THR 40 6.815 -2.020 -5.281 332 HG21 THR 40 3HG2 THR 40 9.684 -3.734 -5.810 333 HG22 THR 40 1HG2 THR 40 8.975 -3.692 -4.194 334 HG23 THR 40 2HG2 THR 40 10.503 -2.868 -4.511 335 H GLN 41 H GLN 41 9.266 -0.669 -1.639 336 HA GLN 41 HA GLN 41 11.824 0.552 -2.349 337 HB2 GLN 41 HB2 GLN 41 10.342 0.283 0.257 338 HB3 GLN 41 HB3 GLN 41 12.026 0.776 0.199 339 HG2 GLN 41 HG2 GLN 41 11.318 2.651 -1.315 340 HG3 GLN 41 HG3 GLN 41 9.651 2.214 -0.948 341 HE21 GLN 41 1HE2 GLN 41 12.210 1.906 1.383 342 HE22 GLN 41 2HE2 GLN 41 11.692 3.181 2.425 343 H GLY 42 H GLY 42 13.333 -0.875 -2.852 344 HA2 GLY 42 HA1 GLY 42 13.460 -3.527 -1.760 345 HA3 GLY 42 HA2 GLY 42 14.701 -2.746 -2.734 346 H ALA 43 H ALA 43 14.310 -0.535 -0.598 347 HA ALA 43 HA ALA 43 15.362 -1.510 1.840 348 HB1 ALA 43 HB1 ALA 43 17.413 -1.791 0.551 349 HB2 ALA 43 HB2 ALA 43 17.305 -0.128 -0.025 350 HB3 ALA 43 HB3 ALA 43 17.597 -0.453 1.683 351 H THR 44 H THR 44 16.946 1.273 1.662 352 HA THR 44 HA THR 44 14.675 2.908 2.423 353 HB THR 44 HB THR 44 17.455 3.992 2.065 354 HG1 THR 44 HG1 THR 44 16.786 2.787 4.513 355 HG21 THR 44 3HG2 THR 44 15.656 5.509 2.758 356 HG22 THR 44 1HG2 THR 44 16.836 5.300 4.050 357 HG23 THR 44 2HG2 THR 44 15.289 4.458 4.125 358 H GLY 45 H GLY 45 16.055 1.959 -0.414 359 HA2 GLY 45 HA1 GLY 45 15.770 4.486 -1.843 360 HA3 GLY 45 HA2 GLY 45 16.381 2.976 -2.507 361 H ILE 46 H ILE 46 14.577 4.447 -3.943 362 HA ILE 46 HA ILE 46 11.991 3.093 -3.527 363 HB ILE 46 HB ILE 46 12.549 5.863 -4.601 364 HG12 ILE 46 2HG1 ILE 46 10.831 6.395 -2.722 365 HG13 ILE 46 3HG1 ILE 46 11.264 4.809 -2.098 366 HG21 ILE 46 2HG2 ILE 46 10.826 4.942 -5.952 367 HG22 ILE 46 1HG2 ILE 46 10.072 6.051 -4.804 368 HG23 ILE 46 3HG2 ILE 46 9.984 4.306 -4.541 369 HD11 ILE 46 3HD1 ILE 46 13.150 7.109 -2.546 370 HD12 ILE 46 2HD1 ILE 46 13.591 5.519 -1.923 371 HD13 ILE 46 1HD1 ILE 46 12.515 6.562 -0.994 372 H GLU 47 H GLU 47 11.000 2.126 -5.277 373 HA GLU 47 HA GLU 47 12.610 2.018 -7.742 374 HB2 GLU 47 HB2 GLU 47 10.651 0.095 -6.532 375 HB3 GLU 47 HB3 GLU 47 11.074 0.008 -8.234 376 HG2 GLU 47 HG2 GLU 47 13.463 -0.210 -7.544 377 HG3 GLU 47 HG3 GLU 47 12.902 -0.332 -5.877 378 H ASN 48 H ASN 48 9.165 1.913 -6.810 379 HA ASN 48 HA ASN 48 8.380 2.505 -9.532 380 HB2 ASN 48 HB2 ASN 48 7.089 0.898 -8.178 381 HB3 ASN 48 HB3 ASN 48 6.706 2.174 -7.026 382 HD21 ASN 48 1HD2 ASN 48 6.053 0.842 -10.152 383 HD22 ASN 48 2HD2 ASN 48 4.663 1.814 -10.499 384 H GLU 49 H GLU 49 8.260 4.045 -6.378 385 HA GLU 49 HA GLU 49 8.117 6.204 -5.710 386 HB2 GLU 49 HB2 GLU 49 9.733 6.686 -7.533 387 HB3 GLU 49 HB3 GLU 49 8.383 6.942 -8.630 388 HG2 GLU 49 HG2 GLU 49 7.606 8.754 -7.067 389 HG3 GLU 49 HG3 GLU 49 9.151 8.581 -6.235 390 H LEU 50 H LEU 50 6.148 6.467 -4.904 391 HA LEU 50 HA LEU 50 3.826 6.656 -6.612 392 HB2 LEU 50 HB2 LEU 50 3.998 7.266 -3.660 393 HB3 LEU 50 HB3 LEU 50 2.552 6.928 -4.591 394 HG LEU 50 HG LEU 50 4.701 5.005 -3.740 395 HD11 LEU 50 2HD1 LEU 50 1.716 5.076 -3.341 396 HD12 LEU 50 1HD1 LEU 50 2.944 5.439 -2.127 397 HD13 LEU 50 3HD1 LEU 50 2.798 3.804 -2.774 398 HD21 LEU 50 3HD2 LEU 50 4.210 4.566 -6.091 399 HD22 LEU 50 2HD2 LEU 50 2.486 4.502 -5.721 400 HD23 LEU 50 1HD2 LEU 50 3.576 3.287 -5.053 401 H THR 51 H THR 51 3.693 8.438 -7.800 402 HA THR 51 HA THR 51 5.015 10.840 -7.277 403 HB THR 51 HB THR 51 3.737 11.805 -9.094 404 HG1 THR 51 HG1 THR 51 2.160 9.504 -9.442 405 HG21 THR 51 3HG2 THR 51 5.512 10.251 -9.707 406 HG22 THR 51 1HG2 THR 51 4.177 10.145 -10.855 407 HG23 THR 51 2HG2 THR 51 4.381 8.900 -9.623 408 H GLU 52 H GLU 52 4.226 12.892 -6.687 409 HA GLU 52 HA GLU 52 2.699 12.954 -4.364 410 HB2 GLU 52 HB2 GLU 52 4.345 14.679 -5.167 411 HB3 GLU 52 HB3 GLU 52 3.116 15.251 -6.284 412 HG2 GLU 52 HG2 GLU 52 3.164 16.673 -4.361 413 HG3 GLU 52 HG3 GLU 52 1.656 15.764 -4.372 414 H LYS 53 H LYS 53 1.751 13.447 -7.725 415 HA LYS 53 HA LYS 53 -0.877 14.363 -7.162 416 HB2 LYS 53 HB2 LYS 53 0.256 13.119 -9.673 417 HB3 LYS 53 HB3 LYS 53 -1.309 13.918 -9.560 418 HG2 LYS 53 HG2 LYS 53 -0.175 16.000 -8.909 419 HG3 LYS 53 HG3 LYS 53 1.380 15.190 -9.099 420 HD2 LYS 53 HD2 LYS 53 0.824 14.765 -11.471 421 HD3 LYS 53 HD3 LYS 53 -0.671 15.679 -11.257 422 HE2 LYS 53 HE2 LYS 53 2.139 16.723 -10.922 423 HE3 LYS 53 HE3 LYS 53 1.039 17.088 -12.252 424 HZ1 LYS 53 HZ1 LYS 53 0.648 17.824 -9.398 425 HZ2 LYS 53 HZ2 LYS 53 -0.467 18.123 -10.642 426 HZ3 LYS 53 HZ3 LYS 53 1.048 18.883 -10.660 427 H ASP 54 H ASP 54 0.427 11.135 -7.963 428 HA ASP 54 HA ASP 54 -2.083 9.824 -7.943 429 HB2 ASP 54 HB2 ASP 54 0.743 8.869 -7.665 430 HB3 ASP 54 HB3 ASP 54 -0.584 7.762 -7.337 431 H VAL 55 H VAL 55 0.165 10.690 -5.445 432 HA VAL 55 HA VAL 55 -1.002 9.103 -3.393 433 HB VAL 55 HB VAL 55 0.787 11.530 -3.276 434 HG11 VAL 55 2HG1 VAL 55 -0.504 11.411 -1.220 435 HG12 VAL 55 1HG1 VAL 55 1.172 10.950 -0.925 436 HG13 VAL 55 3HG1 VAL 55 -0.076 9.711 -1.034 437 HG21 VAL 55 3HG2 VAL 55 1.303 8.588 -2.875 438 HG22 VAL 55 2HG2 VAL 55 2.495 9.871 -2.674 439 HG23 VAL 55 1HG2 VAL 55 1.797 9.557 -4.264 440 H ASN 56 H ASN 56 -1.545 12.397 -4.541 441 HA ASN 56 HA ASN 56 -3.352 13.067 -2.431 442 HB2 ASN 56 HB2 ASN 56 -2.594 14.331 -5.032 443 HB3 ASN 56 HB3 ASN 56 -4.058 14.872 -4.217 444 HD21 ASN 56 1HD2 ASN 56 -0.583 14.629 -4.004 445 HD22 ASN 56 2HD2 ASN 56 -0.389 15.806 -2.746 446 H ILE 57 H ILE 57 -3.662 11.613 -5.599 447 HA ILE 57 HA ILE 57 -6.512 11.619 -5.653 448 HB ILE 57 HB ILE 57 -4.520 9.856 -7.094 449 HG12 ILE 57 2HG1 ILE 57 -4.385 12.201 -7.740 450 HG13 ILE 57 3HG1 ILE 57 -5.103 11.262 -9.045 451 HG21 ILE 57 2HG2 ILE 57 -7.493 10.103 -7.547 452 HG22 ILE 57 1HG2 ILE 57 -6.652 8.696 -6.898 453 HG23 ILE 57 3HG2 ILE 57 -6.366 9.203 -8.563 454 HD11 ILE 57 3HD1 ILE 57 -6.596 12.974 -7.071 455 HD12 ILE 57 2HD1 ILE 57 -7.321 12.031 -8.374 456 HD13 ILE 57 1HD1 ILE 57 -6.248 13.380 -8.752 457 H GLY 58 H GLY 58 -4.084 9.171 -4.775 458 HA2 GLY 58 HA1 GLY 58 -5.871 7.179 -3.898 459 HA3 GLY 58 HA2 GLY 58 -4.199 7.356 -3.375 460 H GLU 59 H GLU 59 -6.822 6.754 -1.953 461 HA GLU 59 HA GLU 59 -6.977 9.071 -0.167 462 HB2 GLU 59 HB2 GLU 59 -8.805 6.674 -0.372 463 HB3 GLU 59 HB3 GLU 59 -9.087 8.117 0.594 464 HG2 GLU 59 HG2 GLU 59 -9.160 9.461 -1.455 465 HG3 GLU 59 HG3 GLU 59 -8.911 8.000 -2.408 466 H VAL 60 H VAL 60 -6.982 5.513 0.121 467 HA VAL 60 HA VAL 60 -5.903 5.782 2.825 468 HB VAL 60 HB VAL 60 -6.244 3.263 2.910 469 HG11 VAL 60 2HG1 VAL 60 -8.641 5.045 2.499 470 HG12 VAL 60 1HG1 VAL 60 -7.756 4.802 4.006 471 HG13 VAL 60 3HG1 VAL 60 -8.664 3.470 3.291 472 HG21 VAL 60 3HG2 VAL 60 -7.787 2.286 1.301 473 HG22 VAL 60 2HG2 VAL 60 -6.342 2.884 0.488 474 HG23 VAL 60 1HG2 VAL 60 -7.842 3.806 0.409 475 H VAL 61 H VAL 61 -3.950 5.053 3.439 476 HA VAL 61 HA VAL 61 -2.129 4.207 1.287 477 HB VAL 61 HB VAL 61 -1.349 5.410 3.941 478 HG11 VAL 61 2HG1 VAL 61 0.783 5.824 2.819 479 HG12 VAL 61 1HG1 VAL 61 0.159 5.070 1.352 480 HG13 VAL 61 3HG1 VAL 61 0.377 4.107 2.814 481 HG21 VAL 61 3HG2 VAL 61 -1.029 7.533 2.762 482 HG22 VAL 61 2HG2 VAL 61 -2.718 7.027 2.727 483 HG23 VAL 61 1HG2 VAL 61 -1.704 6.823 1.298 484 H ILE 62 H ILE 62 -1.585 2.143 1.337 485 HA ILE 62 HA ILE 62 -1.736 0.716 3.898 486 HB ILE 62 HB ILE 62 -1.820 -0.270 1.051 487 HG12 ILE 62 2HG1 ILE 62 -3.880 -1.438 1.949 488 HG13 ILE 62 3HG1 ILE 62 -3.669 -0.512 3.428 489 HG21 ILE 62 2HG2 ILE 62 -0.291 -1.757 2.179 490 HG22 ILE 62 1HG2 ILE 62 -1.835 -2.576 1.933 491 HG23 ILE 62 3HG2 ILE 62 -1.415 -1.945 3.526 492 HD11 ILE 62 3HD1 ILE 62 -4.161 0.623 0.686 493 HD12 ILE 62 2HD1 ILE 62 -3.935 1.557 2.163 494 HD13 ILE 62 1HD1 ILE 62 -5.336 0.498 1.997 495 H PHE 63 H PHE 63 0.071 0.289 4.941 496 HA PHE 63 HA PHE 63 2.585 0.263 3.415 497 HB2 PHE 63 HB2 PHE 63 1.975 0.960 6.269 498 HB3 PHE 63 HB3 PHE 63 3.597 0.464 5.796 499 HD1 PHE 63 HD2 PHE 63 4.636 1.741 3.799 500 HD2 PHE 63 HD1 PHE 63 1.377 3.177 6.119 501 HE1 PHE 63 HE2 PHE 63 5.130 4.033 3.063 502 HE2 PHE 63 HE1 PHE 63 1.860 5.474 5.384 503 HZ PHE 63 HZ PHE 63 3.739 5.902 3.853 504 H ALA 64 H ALA 64 2.951 -1.756 2.813 505 HA ALA 64 HA ALA 64 2.929 -3.829 4.902 506 HB1 ALA 64 HB1 ALA 64 3.100 -4.136 1.900 507 HB2 ALA 64 HB2 ALA 64 3.062 -5.452 3.073 508 HB3 ALA 64 HB3 ALA 64 1.658 -4.401 2.879 509 H VAL 65 H VAL 65 4.846 -3.368 5.913 510 HA VAL 65 HA VAL 65 7.262 -3.398 4.251 511 HB VAL 65 HB VAL 65 8.188 -1.476 5.468 512 HG11 VAL 65 2HG1 VAL 65 6.798 0.278 4.425 513 HG12 VAL 65 1HG1 VAL 65 5.562 -0.935 4.095 514 HG13 VAL 65 3HG1 VAL 65 7.148 -1.062 3.332 515 HG21 VAL 65 3HG2 VAL 65 5.431 -1.224 6.666 516 HG22 VAL 65 2HG2 VAL 65 6.738 -0.053 6.837 517 HG23 VAL 65 1HG2 VAL 65 6.902 -1.666 7.531 518 H ASP 66 H ASP 66 9.204 -3.745 5.396 519 HA ASP 66 HA ASP 66 8.901 -4.847 8.115 520 HB2 ASP 66 HB2 ASP 66 9.494 -6.622 6.541 521 HB3 ASP 66 HB3 ASP 66 10.847 -5.668 5.940 522 H THR 67 H THR 67 10.743 -2.914 5.874 523 HA THR 67 HA THR 67 12.307 -1.803 8.098 524 HB THR 67 HB THR 67 13.630 -2.659 6.182 525 HG1 THR 67 HG1 THR 67 14.833 -1.104 7.000 526 HG21 THR 67 3HG2 THR 67 13.592 -1.498 4.036 527 HG22 THR 67 1HG2 THR 67 12.265 -0.482 4.597 528 HG23 THR 67 2HG2 THR 67 12.019 -2.216 4.387 529 H LYS 68 H LYS 68 12.868 0.705 6.987 530 HA LYS 68 HA LYS 68 10.261 1.951 7.410 531 HB2 LYS 68 HB2 LYS 68 11.504 3.990 7.879 532 HB3 LYS 68 HB3 LYS 68 12.117 2.656 8.844 533 HG2 LYS 68 HG2 LYS 68 13.930 2.394 7.110 534 HG3 LYS 68 HG3 LYS 68 13.377 3.929 6.434 535 HD2 LYS 68 HD2 LYS 68 14.367 3.464 9.248 536 HD3 LYS 68 HD3 LYS 68 15.234 4.300 7.956 537 HE2 LYS 68 HE2 LYS 68 13.638 6.067 7.927 538 HE3 LYS 68 HE3 LYS 68 12.554 5.184 9.002 539 HZ1 LYS 68 HZ1 LYS 68 14.080 5.428 10.788 540 HZ2 LYS 68 HZ2 LYS 68 13.863 6.965 10.102 541 HZ3 LYS 68 HZ3 LYS 68 15.272 6.080 9.778 542 H VAL 69 H VAL 69 10.012 4.145 6.202 543 HA VAL 69 HA VAL 69 10.553 3.628 3.351 544 HB VAL 69 HB VAL 69 8.241 4.465 2.864 545 HG11 VAL 69 2HG1 VAL 69 7.107 2.381 3.433 546 HG12 VAL 69 1HG1 VAL 69 8.405 1.980 4.559 547 HG13 VAL 69 3HG1 VAL 69 8.737 2.079 2.828 548 HG21 VAL 69 3HG2 VAL 69 6.615 4.662 4.550 549 HG22 VAL 69 2HG2 VAL 69 8.022 5.546 5.141 550 HG23 VAL 69 1HG2 VAL 69 7.670 3.935 5.764 551 H ARG 70 H ARG 70 10.701 5.436 2.014 552 HA ARG 70 HA ARG 70 11.162 7.970 3.393 553 HB2 ARG 70 HB2 ARG 70 12.909 7.220 1.858 554 HB3 ARG 70 HB3 ARG 70 11.744 7.131 0.545 555 HG2 ARG 70 HG2 ARG 70 11.406 9.549 0.680 556 HG3 ARG 70 HG3 ARG 70 12.575 9.636 1.996 557 HD2 ARG 70 HD2 ARG 70 14.353 8.945 0.550 558 HD3 ARG 70 HD3 ARG 70 13.221 8.591 -0.756 559 HE ARG 70 HE ARG 70 12.909 11.274 -0.043 560 HH11 ARG 70 2HH1 ARG 70 15.378 9.216 -1.449 561 HH12 ARG 70 1HH1 ARG 70 16.022 10.478 -2.458 562 HH21 ARG 70 2HH2 ARG 70 13.759 12.918 -1.335 563 HH22 ARG 70 1HH2 ARG 70 15.102 12.597 -2.389 564 H ASN 71 H ASN 71 8.975 6.440 1.160 565 HA ASN 71 HA ASN 71 7.827 8.787 0.062 566 HB2 ASN 71 HB2 ASN 71 6.660 6.012 0.300 567 HB3 ASN 71 HB3 ASN 71 5.956 7.310 -0.648 568 HD21 ASN 71 1HD2 ASN 71 8.416 4.896 -0.479 569 HD22 ASN 71 2HD2 ASN 71 9.011 5.095 -2.090 570 H LYS 72 H LYS 72 7.581 7.471 3.143 571 HA LYS 72 HA LYS 72 4.945 7.697 3.907 572 HB2 LYS 72 HB2 LYS 72 6.669 6.758 5.324 573 HB3 LYS 72 HB3 LYS 72 7.428 8.328 5.502 574 HG2 LYS 72 HG2 LYS 72 6.214 7.775 7.487 575 HG3 LYS 72 HG3 LYS 72 5.415 9.122 6.676 576 HD2 LYS 72 HD2 LYS 72 3.790 7.539 5.713 577 HD3 LYS 72 HD3 LYS 72 4.582 6.224 6.583 578 HE2 LYS 72 HE2 LYS 72 3.270 8.632 7.836 579 HE3 LYS 72 HE3 LYS 72 2.582 7.011 7.753 580 HZ1 LYS 72 HZ1 LYS 72 4.297 6.183 9.164 581 HZ2 LYS 72 HZ2 LYS 72 3.651 7.563 9.908 582 HZ3 LYS 72 HZ3 LYS 72 5.143 7.649 9.112 583 H GLU 73 H GLU 73 7.268 10.237 3.381 584 HA GLU 73 HA GLU 73 6.232 12.299 4.890 585 HB2 GLU 73 HB2 GLU 73 7.490 12.490 2.152 586 HB3 GLU 73 HB3 GLU 73 7.335 13.811 3.302 587 HG2 GLU 73 HG2 GLU 73 8.916 11.288 3.738 588 HG3 GLU 73 HG3 GLU 73 9.584 12.855 3.286 589 H ARG 74 H ARG 74 5.258 11.360 1.588 590 HA ARG 74 HA ARG 74 3.509 13.606 1.312 591 HB2 ARG 74 HB2 ARG 74 2.861 12.538 -0.804 592 HB3 ARG 74 HB3 ARG 74 4.606 12.649 -0.621 593 HG2 ARG 74 HG2 ARG 74 4.290 10.207 0.358 594 HG3 ARG 74 HG3 ARG 74 2.843 10.264 -0.651 595 HD2 ARG 74 HD2 ARG 74 4.707 9.331 -1.899 596 HD3 ARG 74 HD3 ARG 74 4.228 10.889 -2.563 597 HE ARG 74 HE ARG 74 6.393 10.979 -0.655 598 HH11 ARG 74 2HH1 ARG 74 5.534 10.635 -4.023 599 HH12 ARG 74 1HH1 ARG 74 6.991 11.378 -4.614 600 HH21 ARG 74 2HH2 ARG 74 8.319 11.973 -1.420 601 HH22 ARG 74 1HH2 ARG 74 8.575 12.150 -3.127 602 H PHE 75 H PHE 75 3.169 10.604 2.849 603 HA PHE 75 HA PHE 75 0.306 10.450 2.429 604 HB2 PHE 75 HB2 PHE 75 2.104 8.710 4.118 605 HB3 PHE 75 HB3 PHE 75 0.446 8.365 3.650 606 HD1 PHE 75 HD1 PHE 75 0.256 8.808 0.875 607 HD2 PHE 75 HD2 PHE 75 3.563 7.316 3.082 608 HE1 PHE 75 HE1 PHE 75 1.074 7.655 -1.137 609 HE2 PHE 75 HE2 PHE 75 4.393 6.162 1.078 610 HZ PHE 75 HZ PHE 75 3.146 6.331 -1.038 611 H ASP 76 H ASP 76 2.224 12.251 4.376 612 HA ASP 76 HA ASP 76 1.085 11.911 6.933 613 HB2 ASP 76 HB2 ASP 76 3.146 13.134 6.724 614 HB3 ASP 76 HB3 ASP 76 2.394 14.318 5.656 615 H GLY 77 H GLY 77 -0.732 12.668 7.856 616 HA2 GLY 77 HA1 GLY 77 -2.647 13.952 8.134 617 HA3 GLY 77 HA2 GLY 77 -2.256 14.809 6.650 618 H LYS 78 H LYS 78 -2.032 11.585 6.003 619 HA LYS 78 HA LYS 78 -4.763 11.539 4.918 620 HB2 LYS 78 HB2 LYS 78 -2.265 10.094 4.006 621 HB3 LYS 78 HB3 LYS 78 -3.854 9.904 3.278 622 HG2 LYS 78 HG2 LYS 78 -3.866 12.165 2.526 623 HG3 LYS 78 HG3 LYS 78 -2.407 12.535 3.444 624 HD2 LYS 78 HD2 LYS 78 -1.929 12.254 1.060 625 HD3 LYS 78 HD3 LYS 78 -1.121 11.024 2.031 626 HE2 LYS 78 HE2 LYS 78 -2.120 10.102 -0.016 627 HE3 LYS 78 HE3 LYS 78 -2.800 9.399 1.444 628 HZ1 LYS 78 HZ1 LYS 78 -4.070 11.606 -0.086 629 HZ2 LYS 78 HZ2 LYS 78 -4.745 10.747 1.200 630 HZ3 LYS 78 HZ3 LYS 78 -4.466 9.974 -0.279 631 H VAL 79 H VAL 79 -5.303 9.016 4.465 632 HA VAL 79 HA VAL 79 -5.496 7.929 7.159 633 HB VAL 79 HB VAL 79 -6.760 6.892 4.614 634 HG11 VAL 79 2HG1 VAL 79 -8.289 5.727 6.113 635 HG12 VAL 79 1HG1 VAL 79 -7.415 6.359 7.510 636 HG13 VAL 79 3HG1 VAL 79 -6.620 5.237 6.403 637 HG21 VAL 79 3HG2 VAL 79 -8.799 8.025 5.374 638 HG22 VAL 79 2HG2 VAL 79 -7.494 9.165 5.043 639 HG23 VAL 79 1HG2 VAL 79 -7.894 8.742 6.708 640 H VAL 80 H VAL 80 -4.311 6.256 7.876 641 HA VAL 80 HA VAL 80 -2.631 4.897 5.872 642 HB VAL 80 HB VAL 80 -1.821 5.687 8.677 643 HG11 VAL 80 2HG1 VAL 80 0.426 4.974 7.996 644 HG12 VAL 80 1HG1 VAL 80 -0.230 4.411 6.458 645 HG13 VAL 80 3HG1 VAL 80 -0.729 3.639 7.964 646 HG21 VAL 80 3HG2 VAL 80 -0.300 7.268 7.584 647 HG22 VAL 80 2HG2 VAL 80 -1.987 7.629 7.217 648 HG23 VAL 80 1HG2 VAL 80 -0.975 6.828 6.015 649 H LEU 81 H LEU 81 -2.441 2.758 5.961 650 HA LEU 81 HA LEU 81 -3.414 1.320 8.343 651 HB2 LEU 81 HB2 LEU 81 -4.951 1.269 6.299 652 HB3 LEU 81 HB3 LEU 81 -3.696 0.355 5.494 653 HG LEU 81 HG LEU 81 -5.621 -0.980 6.442 654 HD11 LEU 81 2HD1 LEU 81 -3.474 -2.003 5.839 655 HD12 LEU 81 1HD1 LEU 81 -4.230 -2.799 7.220 656 HD13 LEU 81 3HD1 LEU 81 -2.882 -1.691 7.471 657 HD21 LEU 81 3HD2 LEU 81 -5.573 -1.481 8.829 658 HD22 LEU 81 2HD2 LEU 81 -5.880 0.232 8.540 659 HD23 LEU 81 1HD2 LEU 81 -4.280 -0.303 9.055 660 H GLU 82 H GLU 82 -1.659 0.447 9.256 661 HA GLU 82 HA GLU 82 0.632 -0.243 7.537 662 HB2 GLU 82 HB2 GLU 82 0.884 1.526 9.325 663 HB3 GLU 82 HB3 GLU 82 0.629 0.262 10.517 664 HG2 GLU 82 HG2 GLU 82 2.629 -0.885 9.758 665 HG3 GLU 82 HG3 GLU 82 2.873 0.339 8.512 666 H VAL 83 H VAL 83 1.159 -2.330 7.303 667 HA VAL 83 HA VAL 83 0.507 -4.232 9.442 668 HB VAL 83 HB VAL 83 -0.215 -5.915 7.718 669 HG11 VAL 83 2HG1 VAL 83 -1.940 -3.462 8.013 670 HG12 VAL 83 1HG1 VAL 83 -1.850 -4.822 9.132 671 HG13 VAL 83 3HG1 VAL 83 -2.502 -5.056 7.511 672 HG21 VAL 83 3HG2 VAL 83 -0.428 -3.486 5.938 673 HG22 VAL 83 2HG2 VAL 83 -1.015 -5.104 5.557 674 HG23 VAL 83 1HG2 VAL 83 0.715 -4.816 5.743 675 HA PRO 84 HA PRO 84 4.476 -6.082 8.554 676 HB2 PRO 84 HB2 PRO 84 3.138 -8.726 8.488 677 HB3 PRO 84 HB3 PRO 84 4.457 -8.162 9.517 678 HG2 PRO 84 HG2 PRO 84 1.999 -8.494 10.500 679 HG3 PRO 84 HG3 PRO 84 3.022 -7.144 11.026 680 HD2 PRO 84 HD2 PRO 84 0.731 -7.150 9.102 681 HD3 PRO 84 HD3 PRO 84 1.161 -5.952 10.341 682 H VAL 85 H VAL 85 5.644 -6.830 6.796 683 HA VAL 85 HA VAL 85 4.427 -6.483 4.271 684 HB VAL 85 HB VAL 85 6.807 -5.993 4.753 685 HG11 VAL 85 2HG1 VAL 85 7.379 -7.915 6.102 686 HG12 VAL 85 1HG1 VAL 85 8.454 -7.811 4.708 687 HG13 VAL 85 3HG1 VAL 85 7.139 -8.986 4.720 688 HG21 VAL 85 3HG2 VAL 85 7.713 -6.830 2.620 689 HG22 VAL 85 2HG2 VAL 85 6.089 -6.156 2.454 690 HG23 VAL 85 1HG2 VAL 85 6.321 -7.905 2.475 691 H SER 86 H SER 86 4.861 -9.270 6.253 692 HA SER 86 HA SER 86 4.611 -11.230 4.192 693 HB2 SER 86 HB2 SER 86 4.021 -12.631 6.371 694 HB3 SER 86 HB3 SER 86 5.672 -12.104 6.026 695 HG SER 86 HG SER 86 3.909 -11.263 7.998 696 H ALA 87 H ALA 87 2.347 -9.305 5.939 697 HA ALA 87 HA ALA 87 0.204 -11.130 6.093 698 HB1 ALA 87 HB1 ALA 87 -1.177 -9.248 6.696 699 HB2 ALA 87 HB2 ALA 87 0.384 -9.138 7.510 700 HB3 ALA 87 HB3 ALA 87 0.049 -8.124 6.106 701 HA PRO 88 HA PRO 88 -1.776 -8.912 2.320 702 HB2 PRO 88 HB2 PRO 88 -0.252 -7.488 0.612 703 HB3 PRO 88 HB3 PRO 88 -0.935 -6.784 2.084 704 HG2 PRO 88 HG2 PRO 88 1.825 -7.853 1.609 705 HG3 PRO 88 HG3 PRO 88 1.336 -6.335 2.387 706 HD2 PRO 88 HD2 PRO 88 2.020 -8.519 3.814 707 HD3 PRO 88 HD3 PRO 88 0.780 -7.379 4.368 708 H ILE 89 H ILE 89 0.900 -10.897 2.304 709 HA ILE 89 HA ILE 89 0.956 -11.558 -0.478 710 HB ILE 89 HB ILE 89 1.979 -13.037 1.949 711 HG12 ILE 89 2HG1 ILE 89 3.387 -11.528 -0.265 712 HG13 ILE 89 3HG1 ILE 89 3.140 -10.940 1.373 713 HG21 ILE 89 2HG2 ILE 89 2.321 -13.748 -0.964 714 HG22 ILE 89 1HG2 ILE 89 1.427 -14.672 0.243 715 HG23 ILE 89 3HG2 ILE 89 3.179 -14.507 0.379 716 HD11 ILE 89 3HD1 ILE 89 5.398 -11.748 1.082 717 HD12 ILE 89 2HD1 ILE 89 4.793 -13.322 0.570 718 HD13 ILE 89 1HD1 ILE 89 4.529 -12.772 2.222 719 H LYS 90 H LYS 90 -0.560 -12.973 2.397 720 HA LYS 90 HA LYS 90 -2.202 -14.674 0.675 721 HB2 LYS 90 HB2 LYS 90 -1.201 -15.695 2.687 722 HB3 LYS 90 HB3 LYS 90 -2.069 -14.544 3.694 723 HG2 LYS 90 HG2 LYS 90 -4.195 -15.455 2.696 724 HG3 LYS 90 HG3 LYS 90 -3.214 -16.740 1.995 725 HD2 LYS 90 HD2 LYS 90 -2.500 -17.438 4.206 726 HD3 LYS 90 HD3 LYS 90 -3.396 -16.104 4.939 727 HE2 LYS 90 HE2 LYS 90 -5.471 -17.067 3.896 728 HE3 LYS 90 HE3 LYS 90 -4.508 -18.475 3.451 729 HZ1 LYS 90 HZ1 LYS 90 -5.762 -18.751 5.534 730 HZ2 LYS 90 HZ2 LYS 90 -4.855 -17.499 6.233 731 HZ3 LYS 90 HZ3 LYS 90 -4.089 -18.934 5.749 732 H ASP 91 H ASP 91 -2.575 -12.231 3.229 733 HA ASP 91 HA ASP 91 -5.460 -12.190 2.756 734 HB2 ASP 91 HB2 ASP 91 -3.727 -11.143 4.991 735 HB3 ASP 91 HB3 ASP 91 -5.431 -10.729 4.850 736 H ALA 92 H ALA 92 -4.108 -11.027 0.673 737 HA ALA 92 HA ALA 92 -3.376 -8.330 0.959 738 HB1 ALA 92 HB1 ALA 92 -2.734 -9.655 -0.981 739 HB2 ALA 92 HB2 ALA 92 -4.424 -9.765 -1.481 740 HB3 ALA 92 HB3 ALA 92 -3.605 -8.203 -1.479 741 H GLU 93 H GLU 93 -6.411 -9.820 -0.063 742 HA GLU 93 HA GLU 93 -7.782 -7.364 -0.429 743 HB2 GLU 93 HB2 GLU 93 -9.790 -8.852 -0.474 744 HB3 GLU 93 HB3 GLU 93 -8.543 -9.266 -1.631 745 HG2 GLU 93 HG2 GLU 93 -7.781 -11.047 -0.120 746 HG3 GLU 93 HG3 GLU 93 -9.085 -10.634 0.994 747 H LYS 94 H LYS 94 -7.179 -9.419 2.283 748 HA LYS 94 HA LYS 94 -9.263 -8.429 3.968 749 HB2 LYS 94 HB2 LYS 94 -8.139 -10.627 4.293 750 HB3 LYS 94 HB3 LYS 94 -6.658 -9.780 4.713 751 HG2 LYS 94 HG2 LYS 94 -7.817 -10.583 6.693 752 HG3 LYS 94 HG3 LYS 94 -7.744 -8.820 6.669 753 HD2 LYS 94 HD2 LYS 94 -10.024 -8.654 6.012 754 HD3 LYS 94 HD3 LYS 94 -10.123 -10.387 5.694 755 HE2 LYS 94 HE2 LYS 94 -11.209 -9.742 7.810 756 HE3 LYS 94 HE3 LYS 94 -9.880 -10.876 8.042 757 HZ1 LYS 94 HZ1 LYS 94 -10.004 -8.953 9.633 758 HZ2 LYS 94 HZ2 LYS 94 -9.538 -7.949 8.355 759 HZ3 LYS 94 HZ3 LYS 94 -8.503 -9.183 8.881 760 H VAL 95 H VAL 95 -5.904 -7.638 3.361 761 HA VAL 95 HA VAL 95 -5.571 -5.648 5.328 762 HB VAL 95 HB VAL 95 -4.255 -5.929 2.616 763 HG11 VAL 95 2HG1 VAL 95 -2.454 -4.555 3.525 764 HG12 VAL 95 1HG1 VAL 95 -3.388 -4.304 5.002 765 HG13 VAL 95 3HG1 VAL 95 -3.978 -3.668 3.465 766 HG21 VAL 95 3HG2 VAL 95 -3.899 -7.880 3.993 767 HG22 VAL 95 2HG2 VAL 95 -3.400 -6.868 5.350 768 HG23 VAL 95 1HG2 VAL 95 -2.406 -6.944 3.895 769 H ILE 96 H ILE 96 -6.739 -5.546 2.000 770 HA ILE 96 HA ILE 96 -7.038 -2.759 1.780 771 HB ILE 96 HB ILE 96 -8.544 -4.974 0.387 772 HG12 ILE 96 2HG1 ILE 96 -6.175 -3.302 -0.485 773 HG13 ILE 96 3HG1 ILE 96 -6.099 -4.977 0.052 774 HG21 ILE 96 2HG2 ILE 96 -9.109 -3.289 -1.307 775 HG22 ILE 96 1HG2 ILE 96 -8.380 -2.038 -0.297 776 HG23 ILE 96 3HG2 ILE 96 -9.811 -2.905 0.265 777 HD11 ILE 96 3HD1 ILE 96 -7.489 -3.941 -2.403 778 HD12 ILE 96 2HD1 ILE 96 -7.520 -5.615 -1.851 779 HD13 ILE 96 1HD1 ILE 96 -5.996 -4.876 -2.341 780 H ASN 97 H ASN 97 -9.326 -5.284 2.793 781 HA ASN 97 HA ASN 97 -11.531 -3.595 3.218 782 HB2 ASN 97 HB2 ASN 97 -10.766 -6.299 4.249 783 HB3 ASN 97 HB3 ASN 97 -12.127 -5.458 4.982 784 HD21 ASN 97 1HD2 ASN 97 -10.932 -7.047 2.132 785 HD22 ASN 97 2HD2 ASN 97 -12.459 -7.143 1.318 786 H ALA 98 H ALA 98 -8.778 -4.382 5.238 787 HA ALA 98 HA ALA 98 -9.707 -3.181 7.620 788 HB1 ALA 98 HB1 ALA 98 -7.795 -4.725 7.544 789 HB2 ALA 98 HB2 ALA 98 -6.861 -3.508 6.675 790 HB3 ALA 98 HB3 ALA 98 -7.385 -3.201 8.330 791 H ALA 99 H ALA 99 -7.884 -1.937 4.847 792 HA ALA 99 HA ALA 99 -7.458 0.662 5.855 793 HB1 ALA 99 HB1 ALA 99 -7.717 -0.250 2.989 794 HB2 ALA 99 HB2 ALA 99 -7.061 1.299 3.522 795 HB3 ALA 99 HB3 ALA 99 -6.230 -0.200 3.937 796 H LEU 100 H LEU 100 -10.050 -0.717 3.865 797 HA LEU 100 HA LEU 100 -11.596 1.604 3.589 798 HB2 LEU 100 HB2 LEU 100 -12.102 -1.323 3.431 799 HB3 LEU 100 HB3 LEU 100 -13.491 -0.262 3.546 800 HG LEU 100 HG LEU 100 -12.900 -0.907 1.227 801 HD11 LEU 100 2HD1 LEU 100 -12.670 2.031 1.854 802 HD12 LEU 100 1HD1 LEU 100 -14.169 1.120 1.665 803 HD13 LEU 100 3HD1 LEU 100 -13.091 1.340 0.286 804 HD21 LEU 100 3HD2 LEU 100 -10.478 -0.973 1.433 805 HD22 LEU 100 2HD2 LEU 100 -10.443 0.769 1.706 806 HD23 LEU 100 1HD2 LEU 100 -10.970 0.131 0.149 807 H ALA 101 H ALA 101 -11.284 -0.693 6.203 808 HA ALA 101 HA ALA 101 -13.574 0.103 7.668 809 HB1 ALA 101 HB1 ALA 101 -11.041 -1.188 8.673 810 HB2 ALA 101 HB2 ALA 101 -12.582 -1.111 9.525 811 HB3 ALA 101 HB3 ALA 101 -12.446 -2.039 8.031 812 H LEU 102 H LEU 102 -10.534 1.590 7.177 813 HA LEU 102 HA LEU 102 -10.610 3.130 9.628 814 HB2 LEU 102 HB2 LEU 102 -8.717 2.761 7.396 815 HB3 LEU 102 HB3 LEU 102 -8.710 4.347 8.138 816 HG LEU 102 HG LEU 102 -6.998 2.895 9.109 817 HD11 LEU 102 2HD1 LEU 102 -7.939 4.616 10.508 818 HD12 LEU 102 1HD1 LEU 102 -7.624 3.177 11.478 819 HD13 LEU 102 3HD1 LEU 102 -9.269 3.558 10.974 820 HD21 LEU 102 3HD2 LEU 102 -8.102 0.740 8.778 821 HD22 LEU 102 2HD2 LEU 102 -9.306 1.163 9.995 822 HD23 LEU 102 1HD2 LEU 102 -7.617 0.959 10.459 823 H ILE 103 H ILE 103 -11.959 3.393 6.514 824 HA ILE 103 HA ILE 103 -12.383 6.283 6.932 825 HB ILE 103 HB ILE 103 -12.701 6.483 4.475 826 HG12 ILE 103 2HG1 ILE 103 -11.542 3.687 4.408 827 HG13 ILE 103 3HG1 ILE 103 -13.209 4.103 4.022 828 HG21 ILE 103 2HG2 ILE 103 -10.616 7.143 5.485 829 HG22 ILE 103 1HG2 ILE 103 -10.302 6.385 3.923 830 HG23 ILE 103 3HG2 ILE 103 -10.020 5.486 5.414 831 HD11 ILE 103 3HD1 ILE 103 -11.922 3.782 2.004 832 HD12 ILE 103 2HD1 ILE 103 -10.757 5.001 2.527 833 HD13 ILE 103 1HD1 ILE 103 -12.415 5.470 2.148 834 H ASP 104 H ASP 104 -13.895 3.241 6.586 835 HA ASP 104 HA ASP 104 -16.524 4.490 6.618 836 HB2 ASP 104 HB2 ASP 104 -15.903 4.144 4.206 837 HB3 ASP 104 HB3 ASP 104 -15.838 2.414 4.529 838 H GLU 105 H GLU 105 -14.997 1.323 6.140 839 HA GLU 105 HA GLU 105 -15.093 -0.640 7.246 840 HB2 GLU 105 HB2 GLU 105 -14.719 0.612 9.308 841 HB3 GLU 105 HB3 GLU 105 -16.443 0.922 9.450 842 HG2 GLU 105 HG2 GLU 105 -16.850 -1.485 9.670 843 HG3 GLU 105 HG3 GLU 105 -15.117 -1.779 9.553 844 H LYS 106 H LYS 106 -16.375 -1.632 5.787 845 HA LYS 106 HA LYS 106 -18.070 -2.991 5.171 846 HB2 LYS 106 HB2 LYS 106 -19.128 -2.430 7.946 847 HB3 LYS 106 HB3 LYS 106 -19.739 -3.675 6.865 848 HG2 LYS 106 HG2 LYS 106 -17.567 -4.789 6.909 849 HG3 LYS 106 HG3 LYS 106 -16.944 -3.532 7.979 850 HD2 LYS 106 HD2 LYS 106 -18.614 -4.153 9.669 851 HD3 LYS 106 HD3 LYS 106 -19.218 -5.420 8.598 852 HE2 LYS 106 HE2 LYS 106 -16.984 -6.466 8.636 853 HE3 LYS 106 HE3 LYS 106 -16.449 -5.236 9.778 854 HZ1 LYS 106 HZ1 LYS 106 -18.625 -7.209 10.245 855 HZ2 LYS 106 HZ2 LYS 106 -18.117 -6.026 11.352 856 HZ3 LYS 106 HZ3 LYS 106 -17.065 -7.279 10.904 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -15.285 5.096 -7.540 2 H2 MET 1 H2 MET 1 -16.714 5.185 -8.450 3 H3 MET 1 H3 MET 1 -15.224 5.527 -9.176 4 HA MET 1 HA MET 1 -16.081 2.895 -8.119 5 HB2 MET 1 HB2 MET 1 -16.875 3.983 -10.454 6 HB3 MET 1 HB3 MET 1 -15.326 3.332 -10.967 7 HG2 MET 1 HG2 MET 1 -17.551 1.757 -9.691 8 HG3 MET 1 HG3 MET 1 -17.178 1.801 -11.410 9 HE1 MET 1 HE1 MET 1 -17.444 -0.873 -9.568 10 HE2 MET 1 HE2 MET 1 -17.194 -0.874 -11.314 11 HE3 MET 1 HE3 MET 1 -16.133 -1.820 -10.272 12 H LYS 2 H LYS 2 -14.498 1.341 -8.017 13 HA LYS 2 HA LYS 2 -12.422 0.506 -7.634 14 HB2 LYS 2 HB2 LYS 2 -11.445 2.516 -9.676 15 HB3 LYS 2 HB3 LYS 2 -10.598 1.078 -9.130 16 HG2 LYS 2 HG2 LYS 2 -12.281 -0.332 -10.170 17 HG3 LYS 2 HG3 LYS 2 -13.181 1.100 -10.675 18 HD2 LYS 2 HD2 LYS 2 -11.101 1.820 -11.915 19 HD3 LYS 2 HD3 LYS 2 -10.453 0.213 -11.590 20 HE2 LYS 2 HE2 LYS 2 -12.340 -0.790 -12.769 21 HE3 LYS 2 HE3 LYS 2 -13.006 0.815 -13.078 22 HZ1 LYS 2 HZ1 LYS 2 -11.838 0.077 -15.012 23 HZ2 LYS 2 HZ2 LYS 2 -10.446 -0.280 -14.112 24 HZ3 LYS 2 HZ3 LYS 2 -10.936 1.330 -14.308 25 H ARG 3 H ARG 3 -12.041 1.101 -5.547 26 HA ARG 3 HA ARG 3 -11.731 3.747 -4.674 27 HB2 ARG 3 HB2 ARG 3 -12.165 1.515 -3.332 28 HB3 ARG 3 HB3 ARG 3 -10.414 1.522 -3.168 29 HG2 ARG 3 HG2 ARG 3 -11.177 2.611 -1.253 30 HG3 ARG 3 HG3 ARG 3 -10.682 3.923 -2.329 31 HD2 ARG 3 HD2 ARG 3 -13.166 3.861 -3.102 32 HD3 ARG 3 HD3 ARG 3 -13.435 3.023 -1.576 33 HE ARG 3 HE ARG 3 -12.224 5.709 -1.745 34 HH11 ARG 3 2HH1 ARG 3 -14.383 3.415 -0.196 35 HH12 ARG 3 1HH1 ARG 3 -14.973 4.575 0.952 36 HH21 ARG 3 2HH2 ARG 3 -13.016 7.220 -0.262 37 HH22 ARG 3 1HH2 ARG 3 -14.223 6.738 0.902 38 H LYS 4 H LYS 4 -10.080 5.094 -4.635 39 HA LYS 4 HA LYS 4 -7.630 4.378 -5.967 40 HB2 LYS 4 HB2 LYS 4 -8.245 6.958 -4.511 41 HB3 LYS 4 HB3 LYS 4 -7.058 6.702 -5.781 42 HG2 LYS 4 HG2 LYS 4 -10.050 6.593 -6.101 43 HG3 LYS 4 HG3 LYS 4 -8.986 7.900 -6.622 44 HD2 LYS 4 HD2 LYS 4 -7.835 6.318 -8.126 45 HD3 LYS 4 HD3 LYS 4 -8.984 5.063 -7.651 46 HE2 LYS 4 HE2 LYS 4 -10.825 6.423 -8.511 47 HE3 LYS 4 HE3 LYS 4 -9.680 7.685 -8.968 48 HZ1 LYS 4 HZ1 LYS 4 -10.158 6.417 -10.898 49 HZ2 LYS 4 HZ2 LYS 4 -9.889 4.955 -10.093 50 HZ3 LYS 4 HZ3 LYS 4 -8.587 5.991 -10.411 51 H ILE 5 H ILE 5 -6.195 3.187 -4.861 52 HA ILE 5 HA ILE 5 -5.688 3.913 -2.050 53 HB ILE 5 HB ILE 5 -5.555 1.133 -3.234 54 HG12 ILE 5 2HG1 ILE 5 -7.583 2.387 -1.364 55 HG13 ILE 5 3HG1 ILE 5 -7.863 1.938 -3.043 56 HG21 ILE 5 2HG2 ILE 5 -5.263 2.061 -0.373 57 HG22 ILE 5 1HG2 ILE 5 -3.950 1.513 -1.415 58 HG23 ILE 5 3HG2 ILE 5 -5.220 0.389 -0.935 59 HD11 ILE 5 3HD1 ILE 5 -7.250 0.044 -0.787 60 HD12 ILE 5 2HD1 ILE 5 -7.509 -0.413 -2.469 61 HD13 ILE 5 1HD1 ILE 5 -8.823 0.306 -1.538 62 H ILE 6 H ILE 6 -3.644 4.327 -1.513 63 HA ILE 6 HA ILE 6 -1.558 3.619 -3.460 64 HB ILE 6 HB ILE 6 -0.186 5.440 -2.535 65 HG12 ILE 6 2HG1 ILE 6 -1.415 5.481 -0.281 66 HG13 ILE 6 3HG1 ILE 6 -0.921 7.024 -0.962 67 HG21 ILE 6 2HG2 ILE 6 -2.890 6.307 -3.531 68 HG22 ILE 6 1HG2 ILE 6 -1.508 5.830 -4.521 69 HG23 ILE 6 3HG2 ILE 6 -1.429 7.297 -3.544 70 HD11 ILE 6 3HD1 ILE 6 -3.692 5.848 -1.055 71 HD12 ILE 6 2HD1 ILE 6 -3.205 7.389 -1.761 72 HD13 ILE 6 1HD1 ILE 6 -3.142 7.159 -0.013 73 H ALA 7 H ALA 7 0.113 2.366 -2.803 74 HA ALA 7 HA ALA 7 0.267 1.726 0.060 75 HB1 ALA 7 HB1 ALA 7 0.207 -0.332 -2.141 76 HB2 ALA 7 HB2 ALA 7 0.381 -0.646 -0.415 77 HB3 ALA 7 HB3 ALA 7 -1.125 0.026 -1.042 78 H VAL 8 H VAL 8 2.274 1.354 0.827 79 HA VAL 8 HA VAL 8 4.463 1.278 -1.141 80 HB VAL 8 HB VAL 8 4.534 2.582 1.589 81 HG11 VAL 8 2HG1 VAL 8 6.645 2.411 -0.560 82 HG12 VAL 8 1HG1 VAL 8 6.680 1.591 1.001 83 HG13 VAL 8 3HG1 VAL 8 6.771 3.351 0.927 84 HG21 VAL 8 3HG2 VAL 8 4.798 4.681 0.351 85 HG22 VAL 8 2HG2 VAL 8 3.256 3.902 -0.007 86 HG23 VAL 8 1HG2 VAL 8 4.582 3.807 -1.166 87 H THR 9 H THR 9 5.401 -0.626 -1.129 88 HA THR 9 HA THR 9 5.495 -2.186 1.352 89 HB THR 9 HB THR 9 6.355 -4.018 -0.184 90 HG1 THR 9 HG1 THR 9 6.221 -1.945 -1.947 91 HG21 THR 9 3HG2 THR 9 4.134 -4.549 -1.078 92 HG22 THR 9 1HG2 THR 9 3.614 -2.892 -0.774 93 HG23 THR 9 2HG2 THR 9 4.027 -3.948 0.577 94 H ALA 10 H ALA 10 7.351 -2.273 2.498 95 HA ALA 10 HA ALA 10 9.864 -1.628 1.148 96 HB1 ALA 10 HB1 ALA 10 8.992 0.508 1.948 97 HB2 ALA 10 HB2 ALA 10 8.900 -0.143 3.584 98 HB3 ALA 10 HB3 ALA 10 10.468 0.051 2.799 99 H CYS 11 H CYS 11 10.732 -3.608 1.508 100 HA CYS 11 HA CYS 11 11.431 -4.177 4.293 101 HB2 CYS 11 HB2 CYS 11 9.561 -5.656 3.734 102 HB3 CYS 11 HB3 CYS 11 10.425 -6.233 2.312 103 HG CYS 11 HG CYS 11 10.428 -7.494 5.276 104 H ALA 12 H ALA 12 13.552 -3.818 4.262 105 HA ALA 12 HA ALA 12 15.191 -4.500 1.993 106 HB1 ALA 12 HB1 ALA 12 15.971 -3.538 4.749 107 HB2 ALA 12 HB2 ALA 12 17.045 -3.660 3.355 108 HB3 ALA 12 HB3 ALA 12 15.701 -2.520 3.335 109 H THR 13 H THR 13 14.396 -5.821 5.116 110 HA THR 13 HA THR 13 16.425 -7.716 5.407 111 HB THR 13 HB THR 13 13.568 -8.085 6.311 112 HG1 THR 13 HG1 THR 13 13.816 -6.350 7.510 113 HG21 THR 13 3HG2 THR 13 16.214 -8.892 7.531 114 HG22 THR 13 1HG2 THR 13 15.078 -9.969 6.719 115 HG23 THR 13 2HG2 THR 13 14.623 -9.189 8.233 116 H GLY 14 H GLY 14 13.209 -8.004 3.930 117 HA2 GLY 14 HA1 GLY 14 14.219 -10.321 2.410 118 HA3 GLY 14 HA2 GLY 14 12.609 -10.323 3.126 119 H VAL 15 H VAL 15 14.649 -8.927 0.664 120 HA VAL 15 HA VAL 15 12.823 -7.049 -0.351 121 HB VAL 15 HB VAL 15 15.208 -6.948 -0.854 122 HG11 VAL 15 2HG1 VAL 15 15.685 -9.318 -1.065 123 HG12 VAL 15 1HG1 VAL 15 16.228 -8.445 -2.498 124 HG13 VAL 15 3HG1 VAL 15 14.740 -9.392 -2.552 125 HG21 VAL 15 3HG2 VAL 15 15.056 -6.423 -3.247 126 HG22 VAL 15 2HG2 VAL 15 13.681 -5.791 -2.338 127 HG23 VAL 15 1HG2 VAL 15 13.498 -7.246 -3.317 128 H ALA 16 H ALA 16 13.172 -10.493 -0.902 129 HA ALA 16 HA ALA 16 11.562 -10.673 -3.221 130 HB1 ALA 16 HB1 ALA 16 11.389 -13.036 -2.716 131 HB2 ALA 16 HB2 ALA 16 13.042 -12.483 -2.450 132 HB3 ALA 16 HB3 ALA 16 11.970 -12.752 -1.076 133 H HIS 17 H HIS 17 10.852 -10.458 0.185 134 HA HIS 17 HA HIS 17 8.112 -11.215 0.056 135 HB2 HIS 17 HB2 HIS 17 9.607 -9.522 2.072 136 HB3 HIS 17 HB3 HIS 17 7.938 -10.042 2.266 137 HD1 HIS 17 HD1 HIS 17 7.924 -11.799 4.000 138 HD2 HIS 17 HD2 HIS 17 11.145 -12.215 1.397 139 HE1 HIS 17 HE1 HIS 17 9.122 -13.888 4.725 140 HE2 HIS 17 HE2 HIS 17 11.148 -14.035 3.232 141 H THR 18 H THR 18 9.845 -8.160 -0.108 142 HA THR 18 HA THR 18 7.731 -6.364 -0.119 143 HB THR 18 HB THR 18 10.285 -6.145 -1.727 144 HG1 THR 18 HG1 THR 18 11.281 -5.883 0.121 145 HG21 THR 18 3HG2 THR 18 8.636 -4.425 -2.267 146 HG22 THR 18 1HG2 THR 18 10.003 -3.732 -1.394 147 HG23 THR 18 2HG2 THR 18 8.479 -4.027 -0.556 148 H TYR 19 H TYR 19 9.298 -7.983 -2.867 149 HA TYR 19 HA TYR 19 7.680 -6.691 -4.817 150 HB2 TYR 19 HB2 TYR 19 9.550 -9.055 -4.957 151 HB3 TYR 19 HB3 TYR 19 8.696 -8.431 -6.364 152 HD1 TYR 19 HD1 TYR 19 10.098 -6.321 -3.662 153 HD2 TYR 19 HD2 TYR 19 10.602 -7.765 -7.630 154 HE1 TYR 19 HE1 TYR 19 11.899 -4.692 -4.018 155 HE2 TYR 19 HE2 TYR 19 12.405 -6.134 -7.996 156 HH TYR 19 HH TYR 19 13.125 -3.925 -7.061 157 H MET 20 H MET 20 7.587 -9.863 -3.252 158 HA MET 20 HA MET 20 5.488 -10.912 -4.834 159 HB2 MET 20 HB2 MET 20 6.980 -12.311 -3.431 160 HB3 MET 20 HB3 MET 20 6.227 -11.634 -1.992 161 HG2 MET 20 HG2 MET 20 4.074 -12.568 -2.687 162 HG3 MET 20 HG3 MET 20 4.848 -13.267 -4.110 163 HE1 MET 20 HE1 MET 20 3.131 -15.028 -2.155 164 HE2 MET 20 HE2 MET 20 3.992 -15.697 -3.540 165 HE3 MET 20 HE3 MET 20 4.164 -16.445 -1.953 166 H ALA 21 H ALA 21 5.550 -9.116 -1.791 167 HA ALA 21 HA ALA 21 2.826 -9.303 -1.153 168 HB1 ALA 21 HB1 ALA 21 4.720 -7.043 -0.534 169 HB2 ALA 21 HB2 ALA 21 3.190 -7.373 0.277 170 HB3 ALA 21 HB3 ALA 21 4.527 -8.513 0.420 171 H ALA 22 H ALA 22 4.591 -6.808 -2.965 172 HA ALA 22 HA ALA 22 2.463 -5.075 -3.454 173 HB1 ALA 22 HB1 ALA 22 3.797 -4.267 -5.358 174 HB2 ALA 22 HB2 ALA 22 4.775 -4.482 -3.907 175 HB3 ALA 22 HB3 ALA 22 4.851 -5.674 -5.204 176 H GLN 23 H GLN 23 3.532 -7.919 -5.251 177 HA GLN 23 HA GLN 23 1.687 -7.603 -7.395 178 HB2 GLN 23 HB2 GLN 23 3.247 -10.007 -6.434 179 HB3 GLN 23 HB3 GLN 23 2.318 -9.962 -7.927 180 HG2 GLN 23 HG2 GLN 23 3.741 -8.282 -8.846 181 HG3 GLN 23 HG3 GLN 23 4.576 -8.075 -7.306 182 HE21 GLN 23 1HE2 GLN 23 6.569 -8.522 -8.240 183 HE22 GLN 23 2HE2 GLN 23 7.028 -10.133 -8.704 184 H ALA 24 H ALA 24 1.724 -9.681 -4.502 185 HA ALA 24 HA ALA 24 -0.711 -11.003 -5.039 186 HB1 ALA 24 HB1 ALA 24 0.640 -10.506 -2.387 187 HB2 ALA 24 HB2 ALA 24 -0.643 -11.679 -2.687 188 HB3 ALA 24 HB3 ALA 24 0.930 -11.873 -3.462 189 H LEU 25 H LEU 25 0.058 -8.091 -3.231 190 HA LEU 25 HA LEU 25 -2.528 -7.546 -2.241 191 HB2 LEU 25 HB2 LEU 25 -0.493 -6.496 -1.391 192 HB3 LEU 25 HB3 LEU 25 -0.247 -5.693 -2.928 193 HG LEU 25 HG LEU 25 -2.317 -4.390 -2.554 194 HD11 LEU 25 2HD1 LEU 25 -3.488 -5.961 -1.102 195 HD12 LEU 25 1HD1 LEU 25 -3.335 -4.381 -0.333 196 HD13 LEU 25 3HD1 LEU 25 -2.283 -5.707 0.159 197 HD21 LEU 25 3HD2 LEU 25 -0.332 -4.190 -0.294 198 HD22 LEU 25 2HD2 LEU 25 -1.360 -2.900 -0.917 199 HD23 LEU 25 1HD2 LEU 25 -0.069 -3.566 -1.923 200 H LYS 26 H LYS 26 -0.891 -6.697 -5.241 201 HA LYS 26 HA LYS 26 -2.935 -4.988 -6.228 202 HB2 LYS 26 HB2 LYS 26 -0.554 -4.972 -6.981 203 HB3 LYS 26 HB3 LYS 26 -0.839 -6.505 -7.790 204 HG2 LYS 26 HG2 LYS 26 -2.428 -5.478 -9.277 205 HG3 LYS 26 HG3 LYS 26 -2.304 -3.950 -8.403 206 HD2 LYS 26 HD2 LYS 26 -0.025 -5.302 -9.847 207 HD3 LYS 26 HD3 LYS 26 -0.987 -3.973 -10.496 208 HE2 LYS 26 HE2 LYS 26 -0.252 -2.524 -8.704 209 HE3 LYS 26 HE3 LYS 26 0.626 -3.853 -7.949 210 HZ1 LYS 26 HZ1 LYS 26 1.223 -2.781 -10.653 211 HZ2 LYS 26 HZ2 LYS 26 2.129 -3.927 -9.787 212 HZ3 LYS 26 HZ3 LYS 26 2.041 -2.324 -9.242 213 H LYS 27 H LYS 27 -2.364 -8.430 -6.327 214 HA LYS 27 HA LYS 27 -4.254 -9.093 -8.319 215 HB2 LYS 27 HB2 LYS 27 -3.042 -10.619 -6.040 216 HB3 LYS 27 HB3 LYS 27 -4.289 -11.336 -7.046 217 HG2 LYS 27 HG2 LYS 27 -1.635 -10.285 -7.998 218 HG3 LYS 27 HG3 LYS 27 -2.070 -11.983 -7.793 219 HD2 LYS 27 HD2 LYS 27 -3.814 -11.747 -9.487 220 HD3 LYS 27 HD3 LYS 27 -3.404 -10.041 -9.682 221 HE2 LYS 27 HE2 LYS 27 -2.405 -11.363 -11.453 222 HE3 LYS 27 HE3 LYS 27 -1.153 -10.679 -10.416 223 HZ1 LYS 27 HZ1 LYS 27 -0.950 -12.809 -9.302 224 HZ2 LYS 27 HZ2 LYS 27 -0.706 -12.989 -10.969 225 HZ3 LYS 27 HZ3 LYS 27 -2.175 -13.464 -10.273 226 H GLY 28 H GLY 28 -4.500 -8.822 -4.802 227 HA2 GLY 28 HA1 GLY 28 -7.217 -9.471 -4.551 228 HA3 GLY 28 HA2 GLY 28 -6.320 -8.427 -3.455 229 H ALA 29 H ALA 29 -5.631 -6.396 -5.240 230 HA ALA 29 HA ALA 29 -7.932 -4.786 -5.293 231 HB1 ALA 29 HB1 ALA 29 -5.668 -3.862 -5.233 232 HB2 ALA 29 HB2 ALA 29 -5.378 -4.458 -6.867 233 HB3 ALA 29 HB3 ALA 29 -6.590 -3.207 -6.587 234 H LYS 30 H LYS 30 -6.389 -6.775 -7.776 235 HA LYS 30 HA LYS 30 -8.085 -6.017 -9.915 236 HB2 LYS 30 HB2 LYS 30 -6.420 -8.478 -9.415 237 HB3 LYS 30 HB3 LYS 30 -7.394 -8.295 -10.865 238 HG2 LYS 30 HG2 LYS 30 -6.136 -6.255 -11.425 239 HG3 LYS 30 HG3 LYS 30 -5.130 -6.508 -9.995 240 HD2 LYS 30 HD2 LYS 30 -4.279 -8.562 -10.865 241 HD3 LYS 30 HD3 LYS 30 -5.446 -8.552 -12.187 242 HE2 LYS 30 HE2 LYS 30 -3.297 -7.891 -13.034 243 HE3 LYS 30 HE3 LYS 30 -4.375 -6.498 -13.060 244 HZ1 LYS 30 HZ1 LYS 30 -3.328 -5.657 -11.078 245 HZ2 LYS 30 HZ2 LYS 30 -2.146 -5.958 -12.258 246 HZ3 LYS 30 HZ3 LYS 30 -2.336 -7.034 -10.964 247 H LYS 31 H LYS 31 -8.312 -8.482 -7.421 248 HA LYS 31 HA LYS 31 -10.510 -9.902 -8.496 249 HB2 LYS 31 HB2 LYS 31 -9.005 -10.800 -6.749 250 HB3 LYS 31 HB3 LYS 31 -9.629 -9.613 -5.614 251 HG2 LYS 31 HG2 LYS 31 -11.922 -10.672 -6.086 252 HG3 LYS 31 HG3 LYS 31 -10.998 -12.010 -6.771 253 HD2 LYS 31 HD2 LYS 31 -10.697 -10.928 -3.971 254 HD3 LYS 31 HD3 LYS 31 -11.593 -12.382 -4.409 255 HE2 LYS 31 HE2 LYS 31 -8.671 -11.999 -5.015 256 HE3 LYS 31 HE3 LYS 31 -9.256 -12.740 -3.526 257 HZ1 LYS 31 HZ1 LYS 31 -10.429 -14.390 -4.938 258 HZ2 LYS 31 HZ2 LYS 31 -8.744 -14.458 -5.068 259 HZ3 LYS 31 HZ3 LYS 31 -9.658 -13.730 -6.300 260 H MET 32 H MET 32 -10.321 -7.461 -5.923 261 HA MET 32 HA MET 32 -13.156 -7.317 -5.615 262 HB2 MET 32 HB2 MET 32 -10.969 -5.487 -4.619 263 HB3 MET 32 HB3 MET 32 -12.653 -5.412 -4.113 264 HG2 MET 32 HG2 MET 32 -10.821 -7.769 -3.726 265 HG3 MET 32 HG3 MET 32 -11.238 -6.582 -2.492 266 HE1 MET 32 HE1 MET 32 -11.568 -9.695 -2.073 267 HE2 MET 32 HE2 MET 32 -12.051 -8.527 -0.843 268 HE3 MET 32 HE3 MET 32 -13.168 -9.801 -1.337 269 H GLY 33 H GLY 33 -10.799 -5.586 -7.513 270 HA2 GLY 33 HA1 GLY 33 -11.362 -4.427 -9.492 271 HA3 GLY 33 HA2 GLY 33 -13.003 -4.242 -8.893 272 H ASN 34 H ASN 34 -9.742 -3.346 -7.794 273 HA ASN 34 HA ASN 34 -10.712 -0.585 -7.465 274 HB2 ASN 34 HB2 ASN 34 -8.957 -2.132 -5.544 275 HB3 ASN 34 HB3 ASN 34 -9.245 -0.397 -5.449 276 HD21 ASN 34 1HD2 ASN 34 -10.554 -3.548 -4.934 277 HD22 ASN 34 2HD2 ASN 34 -11.994 -3.048 -4.119 278 H LEU 35 H LEU 35 -8.769 0.948 -7.186 279 HA LEU 35 HA LEU 35 -6.641 0.093 -9.032 280 HB2 LEU 35 HB2 LEU 35 -7.849 2.833 -8.642 281 HB3 LEU 35 HB3 LEU 35 -6.396 2.525 -9.581 282 HG LEU 35 HG LEU 35 -9.149 1.444 -10.196 283 HD11 LEU 35 2HD1 LEU 35 -7.472 3.508 -11.614 284 HD12 LEU 35 1HD1 LEU 35 -8.915 3.830 -10.652 285 HD13 LEU 35 3HD1 LEU 35 -9.041 2.898 -12.142 286 HD21 LEU 35 3HD2 LEU 35 -8.109 0.630 -12.271 287 HD22 LEU 35 2HD2 LEU 35 -7.440 -0.145 -10.836 288 HD23 LEU 35 1HD2 LEU 35 -6.530 1.123 -11.657 289 H ILE 36 H ILE 36 -4.863 -0.301 -7.926 290 HA ILE 36 HA ILE 36 -4.241 1.443 -5.645 291 HB ILE 36 HB ILE 36 -4.880 -0.871 -4.971 292 HG12 ILE 36 2HG1 ILE 36 -1.986 -0.174 -4.437 293 HG13 ILE 36 3HG1 ILE 36 -3.366 0.538 -3.606 294 HG21 ILE 36 2HG2 ILE 36 -2.380 -1.649 -6.463 295 HG22 ILE 36 1HG2 ILE 36 -4.034 -2.100 -6.880 296 HG23 ILE 36 3HG2 ILE 36 -3.302 -2.707 -5.393 297 HD11 ILE 36 3HD1 ILE 36 -2.552 -2.357 -3.543 298 HD12 ILE 36 2HD1 ILE 36 -3.965 -1.675 -2.740 299 HD13 ILE 36 1HD1 ILE 36 -2.345 -1.176 -2.248 300 H LYS 37 H LYS 37 -2.214 2.210 -5.460 301 HA LYS 37 HA LYS 37 -0.293 1.489 -7.577 302 HB2 LYS 37 HB2 LYS 37 -1.071 4.091 -6.394 303 HB3 LYS 37 HB3 LYS 37 0.651 3.853 -6.652 304 HG2 LYS 37 HG2 LYS 37 -1.458 3.546 -8.778 305 HG3 LYS 37 HG3 LYS 37 -0.464 4.984 -8.531 306 HD2 LYS 37 HD2 LYS 37 1.555 3.558 -8.848 307 HD3 LYS 37 HD3 LYS 37 0.487 2.218 -9.268 308 HE2 LYS 37 HE2 LYS 37 1.331 3.286 -11.274 309 HE3 LYS 37 HE3 LYS 37 -0.408 3.538 -11.134 310 HZ1 LYS 37 HZ1 LYS 37 -0.017 5.763 -10.331 311 HZ2 LYS 37 HZ2 LYS 37 0.800 5.547 -11.802 312 HZ3 LYS 37 HZ3 LYS 37 1.662 5.518 -10.345 313 H VAL 38 H VAL 38 1.054 0.060 -6.714 314 HA VAL 38 HA VAL 38 1.853 0.398 -3.913 315 HB VAL 38 HB VAL 38 2.336 -2.031 -5.636 316 HG11 VAL 38 2HG1 VAL 38 2.585 -3.157 -3.469 317 HG12 VAL 38 1HG1 VAL 38 2.340 -1.616 -2.648 318 HG13 VAL 38 3HG1 VAL 38 3.757 -1.853 -3.672 319 HG21 VAL 38 3HG2 VAL 38 -0.071 -1.593 -5.501 320 HG22 VAL 38 2HG2 VAL 38 0.042 -1.525 -3.742 321 HG23 VAL 38 1HG2 VAL 38 0.375 -3.035 -4.589 322 H GLU 39 H GLU 39 3.731 1.242 -3.490 323 HA GLU 39 HA GLU 39 5.828 1.339 -5.526 324 HB2 GLU 39 HB2 GLU 39 5.242 3.421 -4.354 325 HB3 GLU 39 HB3 GLU 39 5.586 2.664 -2.807 326 HG2 GLU 39 HG2 GLU 39 7.931 2.459 -3.412 327 HG3 GLU 39 HG3 GLU 39 7.595 3.175 -4.987 328 H THR 40 H THR 40 7.818 0.361 -5.262 329 HA THR 40 HA THR 40 7.998 -1.518 -3.004 330 HB THR 40 HB THR 40 9.710 -2.669 -4.615 331 HG1 THR 40 HG1 THR 40 9.156 -0.729 -6.143 332 HG21 THR 40 3HG2 THR 40 7.898 -4.013 -5.595 333 HG22 THR 40 1HG2 THR 40 6.730 -2.791 -5.088 334 HG23 THR 40 2HG2 THR 40 7.633 -3.705 -3.879 335 H GLN 41 H GLN 41 9.258 -0.704 -1.497 336 HA GLN 41 HA GLN 41 11.690 0.740 -2.331 337 HB2 GLN 41 HB2 GLN 41 9.911 2.135 -1.298 338 HB3 GLN 41 HB3 GLN 41 10.012 1.147 0.150 339 HG2 GLN 41 HG2 GLN 41 12.139 1.960 0.689 340 HG3 GLN 41 HG3 GLN 41 12.379 2.635 -0.923 341 HE21 GLN 41 1HE2 GLN 41 9.627 3.674 -1.014 342 HE22 GLN 41 2HE2 GLN 41 9.630 5.076 -0.016 343 H GLY 42 H GLY 42 13.272 -0.755 -2.129 344 HA2 GLY 42 HA1 GLY 42 13.184 -2.676 0.056 345 HA3 GLY 42 HA2 GLY 42 14.347 -2.646 -1.261 346 H ALA 43 H ALA 43 15.969 -0.932 -1.214 347 HA ALA 43 HA ALA 43 16.505 0.195 1.428 348 HB1 ALA 43 HB1 ALA 43 18.538 -1.478 -0.051 349 HB2 ALA 43 HB2 ALA 43 18.789 -0.628 1.474 350 HB3 ALA 43 HB3 ALA 43 17.661 -1.981 1.395 351 H THR 44 H THR 44 16.188 2.202 0.658 352 HA THR 44 HA THR 44 16.515 4.176 -0.336 353 HB THR 44 HB THR 44 18.832 4.795 -1.073 354 HG1 THR 44 HG1 THR 44 19.187 2.133 -1.004 355 HG21 THR 44 3HG2 THR 44 18.050 5.227 1.184 356 HG22 THR 44 1HG2 THR 44 19.749 4.753 1.207 357 HG23 THR 44 2HG2 THR 44 18.505 3.594 1.676 358 H GLY 45 H GLY 45 16.580 1.423 -2.196 359 HA2 GLY 45 HA1 GLY 45 16.728 2.918 -4.716 360 HA3 GLY 45 HA2 GLY 45 16.722 1.164 -4.556 361 H ILE 46 H ILE 46 14.905 3.753 -5.458 362 HA ILE 46 HA ILE 46 12.371 2.719 -4.415 363 HB ILE 46 HB ILE 46 12.790 5.270 -5.974 364 HG12 ILE 46 2HG1 ILE 46 14.218 5.301 -3.968 365 HG13 ILE 46 3HG1 ILE 46 12.895 6.455 -3.833 366 HG21 ILE 46 2HG2 ILE 46 10.495 4.464 -5.855 367 HG22 ILE 46 1HG2 ILE 46 10.691 5.948 -4.919 368 HG23 ILE 46 3HG2 ILE 46 10.603 4.389 -4.096 369 HD11 ILE 46 3HD1 ILE 46 11.692 4.901 -2.393 370 HD12 ILE 46 2HD1 ILE 46 13.282 5.291 -1.740 371 HD13 ILE 46 1HD1 ILE 46 13.013 3.743 -2.541 372 H GLU 47 H GLU 47 11.344 1.277 -5.680 373 HA GLU 47 HA GLU 47 11.368 1.766 -8.585 374 HB2 GLU 47 HB2 GLU 47 10.928 -0.765 -7.016 375 HB3 GLU 47 HB3 GLU 47 10.427 -0.612 -8.694 376 HG2 GLU 47 HG2 GLU 47 12.842 0.065 -9.162 377 HG3 GLU 47 HG3 GLU 47 13.192 -0.571 -7.554 378 H ASN 48 H ASN 48 9.531 2.160 -9.621 379 HA ASN 48 HA ASN 48 7.449 3.005 -9.916 380 HB2 ASN 48 HB2 ASN 48 6.691 0.724 -9.224 381 HB3 ASN 48 HB3 ASN 48 6.630 1.285 -7.559 382 HD21 ASN 48 1HD2 ASN 48 5.006 2.721 -6.933 383 HD22 ASN 48 2HD2 ASN 48 3.599 2.991 -7.899 384 H GLU 49 H GLU 49 8.623 4.929 -9.136 385 HA GLU 49 HA GLU 49 8.395 5.870 -6.496 386 HB2 GLU 49 HB2 GLU 49 8.602 7.486 -9.044 387 HB3 GLU 49 HB3 GLU 49 8.926 8.076 -7.422 388 HG2 GLU 49 HG2 GLU 49 10.813 6.552 -7.229 389 HG3 GLU 49 HG3 GLU 49 10.477 5.925 -8.844 390 H LEU 50 H LEU 50 6.538 6.160 -5.475 391 HA LEU 50 HA LEU 50 4.114 6.649 -6.905 392 HB2 LEU 50 HB2 LEU 50 4.461 5.250 -4.799 393 HB3 LEU 50 HB3 LEU 50 4.531 6.773 -3.930 394 HG LEU 50 HG LEU 50 2.294 7.302 -4.524 395 HD11 LEU 50 2HD1 LEU 50 2.308 6.442 -6.809 396 HD12 LEU 50 1HD1 LEU 50 0.918 5.837 -5.909 397 HD13 LEU 50 3HD1 LEU 50 2.309 4.791 -6.191 398 HD21 LEU 50 3HD2 LEU 50 1.089 5.356 -3.551 399 HD22 LEU 50 2HD2 LEU 50 2.489 5.871 -2.612 400 HD23 LEU 50 1HD2 LEU 50 2.591 4.441 -3.638 401 H THR 51 H THR 51 3.897 8.599 -7.792 402 HA THR 51 HA THR 51 5.224 10.873 -6.621 403 HB THR 51 HB THR 51 5.332 10.486 -9.056 404 HG1 THR 51 HG1 THR 51 5.674 12.581 -8.776 405 HG21 THR 51 3HG2 THR 51 2.383 11.130 -9.006 406 HG22 THR 51 1HG2 THR 51 3.105 9.577 -9.424 407 HG23 THR 51 2HG2 THR 51 3.374 10.979 -10.458 408 H GLU 52 H GLU 52 4.024 13.004 -6.746 409 HA GLU 52 HA GLU 52 2.242 13.042 -4.628 410 HB2 GLU 52 HB2 GLU 52 2.709 15.125 -6.755 411 HB3 GLU 52 HB3 GLU 52 1.905 15.414 -5.218 412 HG2 GLU 52 HG2 GLU 52 3.915 14.941 -4.006 413 HG3 GLU 52 HG3 GLU 52 4.736 14.428 -5.481 414 H LYS 53 H LYS 53 1.570 13.111 -8.100 415 HA LYS 53 HA LYS 53 -1.127 13.792 -7.995 416 HB2 LYS 53 HB2 LYS 53 0.400 12.080 -9.949 417 HB3 LYS 53 HB3 LYS 53 -1.291 12.511 -10.179 418 HG2 LYS 53 HG2 LYS 53 0.984 14.471 -9.916 419 HG3 LYS 53 HG3 LYS 53 0.224 13.972 -11.429 420 HD2 LYS 53 HD2 LYS 53 -1.894 14.897 -10.712 421 HD3 LYS 53 HD3 LYS 53 -1.217 15.306 -9.137 422 HE2 LYS 53 HE2 LYS 53 0.322 16.868 -10.191 423 HE3 LYS 53 HE3 LYS 53 -0.302 16.430 -11.780 424 HZ1 LYS 53 HZ1 LYS 53 -2.409 17.364 -11.246 425 HZ2 LYS 53 HZ2 LYS 53 -1.232 18.523 -10.848 426 HZ3 LYS 53 HZ3 LYS 53 -1.971 17.607 -9.624 427 H ASP 54 H ASP 54 0.353 10.551 -7.947 428 HA ASP 54 HA ASP 54 -2.094 9.155 -7.692 429 HB2 ASP 54 HB2 ASP 54 0.704 8.326 -6.900 430 HB3 ASP 54 HB3 ASP 54 -0.686 7.246 -6.925 431 H VAL 55 H VAL 55 0.202 10.403 -5.366 432 HA VAL 55 HA VAL 55 -0.887 9.124 -3.098 433 HB VAL 55 HB VAL 55 0.796 11.631 -3.252 434 HG11 VAL 55 2HG1 VAL 55 1.451 11.019 -0.936 435 HG12 VAL 55 1HG1 VAL 55 0.184 9.791 -0.949 436 HG13 VAL 55 3HG1 VAL 55 -0.242 11.496 -1.092 437 HG21 VAL 55 3HG2 VAL 55 2.669 10.129 -2.804 438 HG22 VAL 55 2HG2 VAL 55 1.853 9.709 -4.311 439 HG23 VAL 55 1HG2 VAL 55 1.573 8.747 -2.858 440 H ASN 56 H ASN 56 -1.488 12.306 -4.543 441 HA ASN 56 HA ASN 56 -3.170 13.190 -2.405 442 HB2 ASN 56 HB2 ASN 56 -2.627 14.217 -5.175 443 HB3 ASN 56 HB3 ASN 56 -3.932 14.895 -4.209 444 HD21 ASN 56 1HD2 ASN 56 -0.490 14.525 -4.522 445 HD22 ASN 56 2HD2 ASN 56 -0.052 15.763 -3.388 446 H ILE 57 H ILE 57 -3.703 11.513 -5.444 447 HA ILE 57 HA ILE 57 -6.547 11.785 -5.394 448 HB ILE 57 HB ILE 57 -4.765 9.880 -6.916 449 HG12 ILE 57 2HG1 ILE 57 -4.528 12.217 -7.574 450 HG13 ILE 57 3HG1 ILE 57 -5.345 11.306 -8.840 451 HG21 ILE 57 2HG2 ILE 57 -6.750 9.392 -8.304 452 HG22 ILE 57 1HG2 ILE 57 -7.743 10.293 -7.156 453 HG23 ILE 57 3HG2 ILE 57 -6.915 8.823 -6.643 454 HD11 ILE 57 3HD1 ILE 57 -7.492 12.197 -8.078 455 HD12 ILE 57 2HD1 ILE 57 -6.369 13.475 -8.541 456 HD13 ILE 57 1HD1 ILE 57 -6.656 13.129 -6.837 457 H GLY 58 H GLY 58 -4.318 9.119 -4.575 458 HA2 GLY 58 HA1 GLY 58 -6.314 7.322 -3.678 459 HA3 GLY 58 HA2 GLY 58 -4.613 7.274 -3.232 460 H GLU 59 H GLU 59 -7.320 7.050 -1.750 461 HA GLU 59 HA GLU 59 -6.984 9.276 0.126 462 HB2 GLU 59 HB2 GLU 59 -9.183 8.406 1.078 463 HB3 GLU 59 HB3 GLU 59 -9.230 9.133 -0.521 464 HG2 GLU 59 HG2 GLU 59 -8.764 6.390 -0.899 465 HG3 GLU 59 HG3 GLU 59 -10.045 6.531 0.306 466 H VAL 60 H VAL 60 -7.113 5.726 0.122 467 HA VAL 60 HA VAL 60 -6.116 5.795 2.880 468 HB VAL 60 HB VAL 60 -6.617 3.327 2.906 469 HG11 VAL 60 2HG1 VAL 60 -8.095 4.954 3.950 470 HG12 VAL 60 1HG1 VAL 60 -9.028 3.646 3.223 471 HG13 VAL 60 3HG1 VAL 60 -8.923 5.209 2.414 472 HG21 VAL 60 3HG2 VAL 60 -6.658 2.980 0.471 473 HG22 VAL 60 2HG2 VAL 60 -8.114 3.968 0.365 474 HG23 VAL 60 1HG2 VAL 60 -8.151 2.437 1.242 475 H VAL 61 H VAL 61 -4.188 5.026 3.428 476 HA VAL 61 HA VAL 61 -2.437 4.146 1.227 477 HB VAL 61 HB VAL 61 -1.513 5.281 3.862 478 HG11 VAL 61 2HG1 VAL 61 0.142 4.018 2.633 479 HG12 VAL 61 1HG1 VAL 61 0.551 5.734 2.620 480 HG13 VAL 61 3HG1 VAL 61 -0.158 4.985 1.190 481 HG21 VAL 61 3HG2 VAL 61 -2.896 6.978 2.837 482 HG22 VAL 61 2HG2 VAL 61 -2.037 6.791 1.308 483 HG23 VAL 61 1HG2 VAL 61 -1.197 7.434 2.718 484 H ILE 62 H ILE 62 -1.419 2.219 1.390 485 HA ILE 62 HA ILE 62 -1.698 0.782 3.953 486 HB ILE 62 HB ILE 62 -1.503 -0.409 1.173 487 HG12 ILE 62 2HG1 ILE 62 -3.813 -0.347 3.132 488 HG13 ILE 62 3HG1 ILE 62 -3.695 0.619 1.665 489 HG21 ILE 62 2HG2 ILE 62 -1.835 -1.760 3.852 490 HG22 ILE 62 1HG2 ILE 62 -0.392 -1.801 2.839 491 HG23 ILE 62 3HG2 ILE 62 -1.882 -2.562 2.282 492 HD11 ILE 62 3HD1 ILE 62 -3.722 -1.426 0.324 493 HD12 ILE 62 2HD1 ILE 62 -5.154 -1.292 1.347 494 HD13 ILE 62 1HD1 ILE 62 -3.846 -2.384 1.799 495 H PHE 63 H PHE 63 0.150 0.615 5.008 496 HA PHE 63 HA PHE 63 2.650 0.554 3.471 497 HB2 PHE 63 HB2 PHE 63 2.033 1.338 6.309 498 HB3 PHE 63 HB3 PHE 63 3.673 0.934 5.812 499 HD1 PHE 63 HD2 PHE 63 4.683 2.240 3.889 500 HD2 PHE 63 HD1 PHE 63 1.185 3.484 5.967 501 HE1 PHE 63 HE2 PHE 63 5.018 4.534 3.069 502 HE2 PHE 63 HE1 PHE 63 1.513 5.781 5.148 503 HZ PHE 63 HZ PHE 63 3.431 6.307 3.697 504 H ALA 64 H ALA 64 2.695 -1.582 2.898 505 HA ALA 64 HA ALA 64 2.838 -3.562 5.048 506 HB1 ALA 64 HB1 ALA 64 1.558 -4.176 3.051 507 HB2 ALA 64 HB2 ALA 64 2.984 -3.905 2.049 508 HB3 ALA 64 HB3 ALA 64 2.974 -5.212 3.233 509 H VAL 65 H VAL 65 4.770 -3.127 6.058 510 HA VAL 65 HA VAL 65 7.147 -3.055 4.338 511 HB VAL 65 HB VAL 65 8.076 -1.195 5.667 512 HG11 VAL 65 2HG1 VAL 65 5.440 -0.624 4.314 513 HG12 VAL 65 1HG1 VAL 65 7.026 -0.704 3.539 514 HG13 VAL 65 3HG1 VAL 65 6.667 0.586 4.692 515 HG21 VAL 65 3HG2 VAL 65 5.312 -1.040 6.872 516 HG22 VAL 65 2HG2 VAL 65 6.607 0.136 7.106 517 HG23 VAL 65 1HG2 VAL 65 6.789 -1.508 7.717 518 H ASP 66 H ASP 66 9.093 -2.688 5.959 519 HA ASP 66 HA ASP 66 8.982 -4.330 8.339 520 HB2 ASP 66 HB2 ASP 66 9.307 -6.018 6.592 521 HB3 ASP 66 HB3 ASP 66 10.640 -5.090 5.916 522 H THR 67 H THR 67 10.717 -2.418 5.988 523 HA THR 67 HA THR 67 12.557 -1.482 8.081 524 HB THR 67 HB THR 67 13.644 -2.481 6.072 525 HG1 THR 67 HG1 THR 67 14.743 -0.813 7.228 526 HG21 THR 67 3HG2 THR 67 13.580 -1.283 3.940 527 HG22 THR 67 1HG2 THR 67 12.402 -0.153 4.606 528 HG23 THR 67 2HG2 THR 67 11.974 -1.850 4.397 529 H LYS 68 H LYS 68 13.313 0.923 7.049 530 HA LYS 68 HA LYS 68 11.034 2.539 7.710 531 HB2 LYS 68 HB2 LYS 68 12.614 4.430 7.488 532 HB3 LYS 68 HB3 LYS 68 13.207 3.171 8.562 533 HG2 LYS 68 HG2 LYS 68 14.653 2.327 6.794 534 HG3 LYS 68 HG3 LYS 68 14.044 3.567 5.698 535 HD2 LYS 68 HD2 LYS 68 14.940 5.310 7.143 536 HD3 LYS 68 HD3 LYS 68 15.497 4.091 8.290 537 HE2 LYS 68 HE2 LYS 68 16.993 3.170 6.593 538 HE3 LYS 68 HE3 LYS 68 16.420 4.369 5.434 539 HZ1 LYS 68 HZ1 LYS 68 17.348 6.114 6.749 540 HZ2 LYS 68 HZ2 LYS 68 18.556 4.945 6.512 541 HZ3 LYS 68 HZ3 LYS 68 17.752 5.040 8.001 542 H VAL 69 H VAL 69 10.137 4.193 6.439 543 HA VAL 69 HA VAL 69 10.487 3.845 3.534 544 HB VAL 69 HB VAL 69 8.026 4.849 4.981 545 HG11 VAL 69 2HG1 VAL 69 8.250 5.811 2.768 546 HG12 VAL 69 1HG1 VAL 69 6.933 4.637 2.789 547 HG13 VAL 69 3HG1 VAL 69 8.486 4.208 2.071 548 HG21 VAL 69 3HG2 VAL 69 8.547 2.177 3.685 549 HG22 VAL 69 2HG2 VAL 69 6.990 2.727 4.308 550 HG23 VAL 69 1HG2 VAL 69 8.345 2.487 5.410 551 H ARG 70 H ARG 70 11.069 5.602 2.372 552 HA ARG 70 HA ARG 70 11.661 8.044 3.811 553 HB2 ARG 70 HB2 ARG 70 13.264 7.173 2.182 554 HB3 ARG 70 HB3 ARG 70 12.060 7.300 0.906 555 HG2 ARG 70 HG2 ARG 70 12.032 9.725 1.161 556 HG3 ARG 70 HG3 ARG 70 13.222 9.603 2.458 557 HD2 ARG 70 HD2 ARG 70 14.842 8.661 0.917 558 HD3 ARG 70 HD3 ARG 70 13.650 8.685 -0.383 559 HE ARG 70 HE ARG 70 13.804 11.285 0.490 560 HH11 ARG 70 2HH1 ARG 70 16.074 8.925 -0.768 561 HH12 ARG 70 1HH1 ARG 70 17.124 10.115 -1.473 562 HH21 ARG 70 2HH2 ARG 70 15.181 12.860 -0.444 563 HH22 ARG 70 1HH2 ARG 70 16.599 12.350 -1.313 564 H ASN 71 H ASN 71 9.486 7.012 1.234 565 HA ASN 71 HA ASN 71 8.588 9.658 0.644 566 HB2 ASN 71 HB2 ASN 71 7.577 6.969 -0.268 567 HB3 ASN 71 HB3 ASN 71 6.923 8.502 -0.839 568 HD21 ASN 71 1HD2 ASN 71 8.299 6.381 -2.337 569 HD22 ASN 71 2HD2 ASN 71 9.665 7.157 -3.070 570 H LYS 72 H LYS 72 7.858 7.656 3.174 571 HA LYS 72 HA LYS 72 5.115 7.833 3.519 572 HB2 LYS 72 HB2 LYS 72 5.555 7.659 5.959 573 HB3 LYS 72 HB3 LYS 72 6.394 6.455 4.996 574 HG2 LYS 72 HG2 LYS 72 8.010 7.091 6.496 575 HG3 LYS 72 HG3 LYS 72 8.384 8.107 5.107 576 HD2 LYS 72 HD2 LYS 72 7.090 9.942 6.176 577 HD3 LYS 72 HD3 LYS 72 6.892 8.918 7.601 578 HE2 LYS 72 HE2 LYS 72 9.327 8.798 7.842 579 HE3 LYS 72 HE3 LYS 72 9.514 9.828 6.424 580 HZ1 LYS 72 HZ1 LYS 72 8.274 10.573 9.015 581 HZ2 LYS 72 HZ2 LYS 72 8.248 11.557 7.637 582 HZ3 LYS 72 HZ3 LYS 72 9.725 11.161 8.369 583 H GLU 73 H GLU 73 7.504 10.262 3.726 584 HA GLU 73 HA GLU 73 6.525 12.269 5.255 585 HB2 GLU 73 HB2 GLU 73 7.437 13.806 3.383 586 HB3 GLU 73 HB3 GLU 73 8.547 12.696 4.177 587 HG2 GLU 73 HG2 GLU 73 8.373 11.150 2.319 588 HG3 GLU 73 HG3 GLU 73 7.185 12.189 1.541 589 H ARG 74 H ARG 74 5.344 11.463 1.973 590 HA ARG 74 HA ARG 74 3.498 13.674 1.996 591 HB2 ARG 74 HB2 ARG 74 2.792 12.809 -0.187 592 HB3 ARG 74 HB3 ARG 74 4.539 12.976 -0.083 593 HG2 ARG 74 HG2 ARG 74 4.351 10.432 0.645 594 HG3 ARG 74 HG3 ARG 74 2.867 10.541 -0.306 595 HD2 ARG 74 HD2 ARG 74 4.668 9.829 -1.736 596 HD3 ARG 74 HD3 ARG 74 4.195 11.470 -2.164 597 HE ARG 74 HE ARG 74 6.226 11.864 -0.434 598 HH11 ARG 74 2HH1 ARG 74 5.922 9.896 -3.321 599 HH12 ARG 74 1HH1 ARG 74 7.599 10.052 -3.755 600 HH21 ARG 74 2HH2 ARG 74 8.424 12.107 -1.018 601 HH22 ARG 74 1HH2 ARG 74 9.013 11.301 -2.442 602 H PHE 75 H PHE 75 3.344 10.257 2.737 603 HA PHE 75 HA PHE 75 0.474 10.159 2.668 604 HB2 PHE 75 HB2 PHE 75 2.405 8.152 3.840 605 HB3 PHE 75 HB3 PHE 75 0.724 7.877 3.405 606 HD1 PHE 75 HD2 PHE 75 0.081 8.083 0.952 607 HD2 PHE 75 HD1 PHE 75 4.100 7.808 2.291 608 HE1 PHE 75 HE2 PHE 75 0.785 7.384 -1.299 609 HE2 PHE 75 HE1 PHE 75 4.816 7.113 0.052 610 HZ PHE 75 HZ PHE 75 3.155 6.898 -1.750 611 H ASP 76 H ASP 76 2.949 10.859 4.981 612 HA ASP 76 HA ASP 76 1.498 10.465 7.362 613 HB2 ASP 76 HB2 ASP 76 3.922 10.888 7.346 614 HB3 ASP 76 HB3 ASP 76 3.633 12.525 6.760 615 H GLY 77 H GLY 77 -0.235 11.467 8.119 616 HA2 GLY 77 HA1 GLY 77 -1.510 13.457 8.589 617 HA3 GLY 77 HA2 GLY 77 -0.870 14.165 7.109 618 H LYS 78 H LYS 78 -1.391 11.162 6.204 619 HA LYS 78 HA LYS 78 -4.193 11.624 5.440 620 HB2 LYS 78 HB2 LYS 78 -1.989 10.046 4.100 621 HB3 LYS 78 HB3 LYS 78 -3.679 9.909 3.632 622 HG2 LYS 78 HG2 LYS 78 -3.767 12.152 2.905 623 HG3 LYS 78 HG3 LYS 78 -2.223 12.535 3.665 624 HD2 LYS 78 HD2 LYS 78 -2.029 12.309 1.222 625 HD3 LYS 78 HD3 LYS 78 -1.058 11.113 2.078 626 HE2 LYS 78 HE2 LYS 78 -2.203 10.126 0.169 627 HE3 LYS 78 HE3 LYS 78 -2.759 9.425 1.683 628 HZ1 LYS 78 HZ1 LYS 78 -4.545 9.967 0.045 629 HZ2 LYS 78 HZ2 LYS 78 -4.201 11.608 0.274 630 HZ3 LYS 78 HZ3 LYS 78 -4.763 10.672 1.572 631 H VAL 79 H VAL 79 -5.042 9.150 4.802 632 HA VAL 79 HA VAL 79 -5.087 7.880 7.442 633 HB VAL 79 HB VAL 79 -6.878 7.363 5.058 634 HG11 VAL 79 2HG1 VAL 79 -6.740 5.455 6.568 635 HG12 VAL 79 1HG1 VAL 79 -8.326 6.219 6.670 636 HG13 VAL 79 3HG1 VAL 79 -7.131 6.495 7.938 637 HG21 VAL 79 3HG2 VAL 79 -7.406 8.996 7.539 638 HG22 VAL 79 2HG2 VAL 79 -8.568 8.651 6.258 639 HG23 VAL 79 1HG2 VAL 79 -7.146 9.639 5.917 640 H VAL 80 H VAL 80 -3.590 6.322 7.715 641 HA VAL 80 HA VAL 80 -3.057 4.554 5.422 642 HB VAL 80 HB VAL 80 -0.771 4.559 5.741 643 HG11 VAL 80 2HG1 VAL 80 -0.021 6.882 5.921 644 HG12 VAL 80 1HG1 VAL 80 -1.601 7.336 6.556 645 HG13 VAL 80 3HG1 VAL 80 -1.458 6.726 4.908 646 HG21 VAL 80 3HG2 VAL 80 0.365 5.406 7.782 647 HG22 VAL 80 2HG2 VAL 80 -0.662 3.999 8.061 648 HG23 VAL 80 1HG2 VAL 80 -1.221 5.607 8.529 649 H LEU 81 H LEU 81 -2.582 2.414 5.843 650 HA LEU 81 HA LEU 81 -2.973 1.475 8.611 651 HB2 LEU 81 HB2 LEU 81 -4.699 0.644 7.110 652 HB3 LEU 81 HB3 LEU 81 -3.479 0.055 5.995 653 HG LEU 81 HG LEU 81 -2.684 -1.370 8.023 654 HD11 LEU 81 2HD1 LEU 81 -5.534 -0.782 8.801 655 HD12 LEU 81 1HD1 LEU 81 -4.087 -0.319 9.698 656 HD13 LEU 81 3HD1 LEU 81 -4.506 -2.024 9.519 657 HD21 LEU 81 3HD2 LEU 81 -4.283 -3.143 7.374 658 HD22 LEU 81 2HD2 LEU 81 -3.527 -2.330 6.005 659 HD23 LEU 81 1HD2 LEU 81 -5.186 -1.938 6.456 660 H GLU 82 H GLU 82 -1.252 0.441 9.530 661 HA GLU 82 HA GLU 82 1.022 -0.119 7.750 662 HB2 GLU 82 HB2 GLU 82 1.361 1.665 9.477 663 HB3 GLU 82 HB3 GLU 82 1.122 0.443 10.719 664 HG2 GLU 82 HG2 GLU 82 3.069 -0.772 9.927 665 HG3 GLU 82 HG3 GLU 82 3.293 0.404 8.634 666 H VAL 83 H VAL 83 1.090 -2.201 7.284 667 HA VAL 83 HA VAL 83 0.862 -4.144 9.493 668 HB VAL 83 HB VAL 83 0.020 -5.796 7.819 669 HG11 VAL 83 2HG1 VAL 83 -1.690 -3.339 8.188 670 HG12 VAL 83 1HG1 VAL 83 -1.533 -4.682 9.320 671 HG13 VAL 83 3HG1 VAL 83 -2.277 -4.941 7.743 672 HG21 VAL 83 3HG2 VAL 83 -0.927 -4.953 5.707 673 HG22 VAL 83 2HG2 VAL 83 0.824 -4.755 5.783 674 HG23 VAL 83 1HG2 VAL 83 -0.231 -3.367 6.046 675 HA PRO 84 HA PRO 84 4.801 -5.829 8.217 676 HB2 PRO 84 HB2 PRO 84 3.606 -8.536 8.173 677 HB3 PRO 84 HB3 PRO 84 4.950 -7.915 9.137 678 HG2 PRO 84 HG2 PRO 84 2.565 -8.425 10.239 679 HG3 PRO 84 HG3 PRO 84 3.558 -7.053 10.768 680 HD2 PRO 84 HD2 PRO 84 1.158 -7.084 8.981 681 HD3 PRO 84 HD3 PRO 84 1.608 -5.920 10.244 682 H VAL 85 H VAL 85 5.841 -6.389 6.341 683 HA VAL 85 HA VAL 85 4.468 -6.049 3.934 684 HB VAL 85 HB VAL 85 6.856 -5.559 4.229 685 HG11 VAL 85 2HG1 VAL 85 7.532 -7.465 5.551 686 HG12 VAL 85 1HG1 VAL 85 8.518 -7.362 4.093 687 HG13 VAL 85 3HG1 VAL 85 7.218 -8.550 4.199 688 HG21 VAL 85 3HG2 VAL 85 6.024 -5.731 1.984 689 HG22 VAL 85 2HG2 VAL 85 6.226 -7.483 1.997 690 HG23 VAL 85 1HG2 VAL 85 7.641 -6.430 2.052 691 H SER 86 H SER 86 5.309 -8.997 5.639 692 HA SER 86 HA SER 86 4.778 -10.748 3.451 693 HB2 SER 86 HB2 SER 86 4.977 -11.334 6.415 694 HB3 SER 86 HB3 SER 86 4.999 -12.538 5.125 695 HG SER 86 HG SER 86 7.080 -11.408 6.112 696 H ALA 87 H ALA 87 2.755 -9.105 5.654 697 HA ALA 87 HA ALA 87 0.745 -11.044 6.051 698 HB1 ALA 87 HB1 ALA 87 0.461 -8.050 6.215 699 HB2 ALA 87 HB2 ALA 87 -0.612 -9.254 6.929 700 HB3 ALA 87 HB3 ALA 87 1.046 -9.095 7.509 701 HA PRO 88 HA PRO 88 -1.864 -8.819 2.638 702 HB2 PRO 88 HB2 PRO 88 -0.583 -7.306 0.787 703 HB3 PRO 88 HB3 PRO 88 -1.204 -6.646 2.305 704 HG2 PRO 88 HG2 PRO 88 1.583 -7.495 1.613 705 HG3 PRO 88 HG3 PRO 88 1.037 -6.030 2.451 706 HD2 PRO 88 HD2 PRO 88 2.016 -8.153 3.785 707 HD3 PRO 88 HD3 PRO 88 0.717 -7.143 4.452 708 H ILE 89 H ILE 89 1.032 -10.494 2.220 709 HA ILE 89 HA ILE 89 0.771 -11.257 -0.497 710 HB ILE 89 HB ILE 89 2.070 -12.706 1.820 711 HG12 ILE 89 2HG1 ILE 89 3.236 -11.004 -0.394 712 HG13 ILE 89 3HG1 ILE 89 3.075 -10.528 1.291 713 HG21 ILE 89 2HG2 ILE 89 2.295 -13.257 -1.136 714 HG22 ILE 89 1HG2 ILE 89 1.484 -14.278 0.052 715 HG23 ILE 89 3HG2 ILE 89 3.230 -14.044 0.137 716 HD11 ILE 89 3HD1 ILE 89 4.628 -12.319 1.923 717 HD12 ILE 89 2HD1 ILE 89 5.352 -11.171 0.795 718 HD13 ILE 89 1HD1 ILE 89 4.806 -12.747 0.222 719 H LYS 90 H LYS 90 -0.343 -12.672 2.549 720 HA LYS 90 HA LYS 90 -1.953 -14.616 1.080 721 HB2 LYS 90 HB2 LYS 90 -0.627 -15.456 2.950 722 HB3 LYS 90 HB3 LYS 90 -1.409 -14.319 4.038 723 HG2 LYS 90 HG2 LYS 90 -3.546 -15.440 3.688 724 HG3 LYS 90 HG3 LYS 90 -2.772 -16.568 2.573 725 HD2 LYS 90 HD2 LYS 90 -1.326 -17.362 4.373 726 HD3 LYS 90 HD3 LYS 90 -2.086 -16.229 5.492 727 HE2 LYS 90 HE2 LYS 90 -4.225 -17.349 5.203 728 HE3 LYS 90 HE3 LYS 90 -3.508 -18.448 4.025 729 HZ1 LYS 90 HZ1 LYS 90 -3.663 -19.501 6.175 730 HZ2 LYS 90 HZ2 LYS 90 -2.777 -18.248 6.898 731 HZ3 LYS 90 HZ3 LYS 90 -2.032 -19.269 5.769 732 H ASP 91 H ASP 91 -2.358 -12.154 3.623 733 HA ASP 91 HA ASP 91 -5.254 -12.411 3.433 734 HB2 ASP 91 HB2 ASP 91 -3.453 -10.898 5.329 735 HB3 ASP 91 HB3 ASP 91 -5.208 -10.790 5.377 736 H ALA 92 H ALA 92 -4.093 -11.310 1.141 737 HA ALA 92 HA ALA 92 -3.773 -8.560 1.034 738 HB1 ALA 92 HB1 ALA 92 -4.279 -8.730 -1.352 739 HB2 ALA 92 HB2 ALA 92 -3.221 -10.039 -0.823 740 HB3 ALA 92 HB3 ALA 92 -4.935 -10.346 -1.099 741 H GLU 93 H GLU 93 -6.758 -10.417 0.510 742 HA GLU 93 HA GLU 93 -8.417 -8.250 -0.100 743 HB2 GLU 93 HB2 GLU 93 -9.419 -10.680 1.361 744 HB3 GLU 93 HB3 GLU 93 -10.225 -9.733 0.121 745 HG2 GLU 93 HG2 GLU 93 -7.978 -11.693 -0.228 746 HG3 GLU 93 HG3 GLU 93 -9.625 -11.811 -0.840 747 H LYS 94 H LYS 94 -7.517 -9.685 2.987 748 HA LYS 94 HA LYS 94 -9.496 -8.282 4.496 749 HB2 LYS 94 HB2 LYS 94 -8.392 -10.469 5.148 750 HB3 LYS 94 HB3 LYS 94 -6.960 -9.532 5.555 751 HG2 LYS 94 HG2 LYS 94 -8.267 -8.262 7.196 752 HG3 LYS 94 HG3 LYS 94 -9.684 -9.239 6.804 753 HD2 LYS 94 HD2 LYS 94 -8.450 -11.257 7.500 754 HD3 LYS 94 HD3 LYS 94 -7.079 -10.242 7.950 755 HE2 LYS 94 HE2 LYS 94 -9.840 -10.199 9.164 756 HE3 LYS 94 HE3 LYS 94 -8.361 -10.787 9.921 757 HZ1 LYS 94 HZ1 LYS 94 -7.493 -8.447 9.600 758 HZ2 LYS 94 HZ2 LYS 94 -8.696 -8.652 10.777 759 HZ3 LYS 94 HZ3 LYS 94 -9.098 -7.995 9.265 760 H VAL 95 H VAL 95 -6.109 -7.774 3.696 761 HA VAL 95 HA VAL 95 -5.658 -5.531 5.354 762 HB VAL 95 HB VAL 95 -4.369 -6.204 2.699 763 HG11 VAL 95 2HG1 VAL 95 -2.512 -4.807 3.458 764 HG12 VAL 95 1HG1 VAL 95 -3.422 -4.383 4.908 765 HG13 VAL 95 3HG1 VAL 95 -4.004 -3.876 3.322 766 HG21 VAL 95 3HG2 VAL 95 -4.134 -8.005 4.321 767 HG22 VAL 95 2HG2 VAL 95 -3.506 -6.865 5.513 768 HG23 VAL 95 1HG2 VAL 95 -2.586 -7.203 4.045 769 H ILE 96 H ILE 96 -6.837 -5.861 2.031 770 HA ILE 96 HA ILE 96 -7.074 -3.125 1.433 771 HB ILE 96 HB ILE 96 -8.693 -5.469 0.409 772 HG12 ILE 96 2HG1 ILE 96 -6.343 -3.997 -0.809 773 HG13 ILE 96 3HG1 ILE 96 -6.254 -5.567 -0.019 774 HG21 ILE 96 2HG2 ILE 96 -9.943 -3.444 0.022 775 HG22 ILE 96 1HG2 ILE 96 -9.244 -3.986 -1.503 776 HG23 ILE 96 3HG2 ILE 96 -8.516 -2.639 -0.628 777 HD11 ILE 96 3HD1 ILE 96 -7.806 -4.928 -2.514 778 HD12 ILE 96 2HD1 ILE 96 -7.742 -6.498 -1.716 779 HD13 ILE 96 1HD1 ILE 96 -6.281 -5.811 -2.425 780 H ASN 97 H ASN 97 -9.414 -5.418 2.799 781 HA ASN 97 HA ASN 97 -11.518 -3.538 3.074 782 HB2 ASN 97 HB2 ASN 97 -10.982 -6.252 4.229 783 HB3 ASN 97 HB3 ASN 97 -12.314 -5.284 4.854 784 HD21 ASN 97 1HD2 ASN 97 -11.080 -7.061 2.138 785 HD22 ASN 97 2HD2 ASN 97 -12.555 -7.085 1.234 786 H ALA 98 H ALA 98 -8.810 -4.419 5.104 787 HA ALA 98 HA ALA 98 -9.695 -3.156 7.479 788 HB1 ALA 98 HB1 ALA 98 -7.889 -4.805 7.470 789 HB2 ALA 98 HB2 ALA 98 -6.870 -3.689 6.560 790 HB3 ALA 98 HB3 ALA 98 -7.370 -3.287 8.203 791 H ALA 99 H ALA 99 -7.859 -2.011 4.684 792 HA ALA 99 HA ALA 99 -7.268 0.559 5.677 793 HB1 ALA 99 HB1 ALA 99 -6.185 -0.373 3.688 794 HB2 ALA 99 HB2 ALA 99 -7.714 -0.297 2.813 795 HB3 ALA 99 HB3 ALA 99 -6.923 1.190 3.340 796 H LEU 100 H LEU 100 -10.034 -0.752 3.924 797 HA LEU 100 HA LEU 100 -11.449 1.706 3.700 798 HB2 LEU 100 HB2 LEU 100 -12.517 -1.122 3.680 799 HB3 LEU 100 HB3 LEU 100 -13.375 0.301 3.123 800 HG LEU 100 HG LEU 100 -10.863 -0.818 1.878 801 HD11 LEU 100 2HD1 LEU 100 -12.798 -2.259 1.533 802 HD12 LEU 100 1HD1 LEU 100 -12.315 -1.464 0.034 803 HD13 LEU 100 3HD1 LEU 100 -13.722 -0.883 0.926 804 HD21 LEU 100 3HD2 LEU 100 -11.335 0.790 0.078 805 HD22 LEU 100 2HD2 LEU 100 -10.997 1.589 1.614 806 HD23 LEU 100 1HD2 LEU 100 -12.658 1.455 1.036 807 H ALA 101 H ALA 101 -11.192 -0.754 6.148 808 HA ALA 101 HA ALA 101 -13.430 -0.020 7.714 809 HB1 ALA 101 HB1 ALA 101 -12.310 -2.175 7.966 810 HB2 ALA 101 HB2 ALA 101 -10.867 -1.361 8.572 811 HB3 ALA 101 HB3 ALA 101 -12.367 -1.306 9.500 812 H LEU 102 H LEU 102 -10.425 1.506 7.195 813 HA LEU 102 HA LEU 102 -10.379 2.876 9.737 814 HB2 LEU 102 HB2 LEU 102 -8.730 3.307 7.250 815 HB3 LEU 102 HB3 LEU 102 -8.446 4.072 8.803 816 HG LEU 102 HG LEU 102 -8.213 1.130 8.181 817 HD11 LEU 102 2HD1 LEU 102 -6.156 3.199 8.940 818 HD12 LEU 102 1HD1 LEU 102 -6.359 2.465 7.349 819 HD13 LEU 102 3HD1 LEU 102 -5.852 1.476 8.720 820 HD21 LEU 102 3HD2 LEU 102 -7.459 0.880 10.494 821 HD22 LEU 102 2HD2 LEU 102 -9.124 1.459 10.415 822 HD23 LEU 102 1HD2 LEU 102 -7.817 2.581 10.794 823 H ILE 103 H ILE 103 -11.611 3.451 6.541 824 HA ILE 103 HA ILE 103 -12.203 6.233 7.277 825 HB ILE 103 HB ILE 103 -12.793 6.538 4.853 826 HG12 ILE 103 2HG1 ILE 103 -11.421 3.854 4.564 827 HG13 ILE 103 3HG1 ILE 103 -13.135 4.149 4.307 828 HG21 ILE 103 2HG2 ILE 103 -10.460 6.723 4.140 829 HG22 ILE 103 1HG2 ILE 103 -9.965 5.710 5.497 830 HG23 ILE 103 3HG2 ILE 103 -10.681 7.294 5.794 831 HD11 ILE 103 3HD1 ILE 103 -10.899 5.365 2.710 832 HD12 ILE 103 2HD1 ILE 103 -12.626 5.597 2.439 833 HD13 ILE 103 1HD1 ILE 103 -11.907 4.003 2.215 834 H ASP 104 H ASP 104 -13.736 3.348 5.870 835 HA ASP 104 HA ASP 104 -16.367 4.546 6.056 836 HB2 ASP 104 HB2 ASP 104 -15.385 1.841 5.137 837 HB3 ASP 104 HB3 ASP 104 -17.094 2.228 5.266 838 H GLU 105 H GLU 105 -14.352 2.314 7.786 839 HA GLU 105 HA GLU 105 -14.622 1.015 9.629 840 HB2 GLU 105 HB2 GLU 105 -16.683 3.129 10.293 841 HB3 GLU 105 HB3 GLU 105 -16.118 1.905 11.423 842 HG2 GLU 105 HG2 GLU 105 -13.799 2.805 11.070 843 HG3 GLU 105 HG3 GLU 105 -14.539 4.139 10.186 844 H LYS 106 H LYS 106 -16.096 0.355 7.267 845 HA LYS 106 HA LYS 106 -18.582 -0.797 8.296 846 HB2 LYS 106 HB2 LYS 106 -17.556 -0.349 5.491 847 HB3 LYS 106 HB3 LYS 106 -19.004 -1.284 5.841 848 HG2 LYS 106 HG2 LYS 106 -20.145 0.589 6.675 849 HG3 LYS 106 HG3 LYS 106 -18.665 1.538 6.796 850 HD2 LYS 106 HD2 LYS 106 -20.045 2.243 4.900 851 HD3 LYS 106 HD3 LYS 106 -18.489 1.604 4.369 852 HE2 LYS 106 HE2 LYS 106 -19.519 -0.500 3.768 853 HE3 LYS 106 HE3 LYS 106 -21.071 0.044 4.406 854 HZ1 LYS 106 HZ1 LYS 106 -20.862 0.228 1.952 855 HZ2 LYS 106 HZ2 LYS 106 -19.638 1.379 2.173 856 HZ3 LYS 106 HZ3 LYS 106 -21.215 1.701 2.719 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -16.495 1.778 -4.777 2 H2 MET 1 H2 MET 1 -17.448 0.392 -4.966 3 H3 MET 1 H3 MET 1 -17.371 1.541 -6.207 4 HA MET 1 HA MET 1 -15.152 -0.174 -5.264 5 HB2 MET 1 HB2 MET 1 -16.762 -0.131 -7.821 6 HB3 MET 1 HB3 MET 1 -15.264 -1.030 -7.630 7 HG2 MET 1 HG2 MET 1 -16.285 -2.342 -5.839 8 HG3 MET 1 HG3 MET 1 -17.791 -1.446 -6.052 9 HE1 MET 1 HE1 MET 1 -17.540 -4.649 -6.136 10 HE2 MET 1 HE2 MET 1 -19.064 -3.782 -6.311 11 HE3 MET 1 HE3 MET 1 -18.612 -5.013 -7.490 12 H LYS 2 H LYS 2 -13.565 -0.132 -7.372 13 HA LYS 2 HA LYS 2 -11.905 1.011 -8.389 14 HB2 LYS 2 HB2 LYS 2 -14.100 3.056 -8.705 15 HB3 LYS 2 HB3 LYS 2 -12.500 3.245 -9.413 16 HG2 LYS 2 HG2 LYS 2 -12.835 1.104 -10.617 17 HG3 LYS 2 HG3 LYS 2 -14.485 1.058 -9.995 18 HD2 LYS 2 HD2 LYS 2 -13.358 3.314 -11.644 19 HD3 LYS 2 HD3 LYS 2 -14.269 1.962 -12.315 20 HE2 LYS 2 HE2 LYS 2 -16.169 2.576 -10.854 21 HE3 LYS 2 HE3 LYS 2 -15.256 3.981 -10.305 22 HZ1 LYS 2 HZ1 LYS 2 -15.205 4.795 -12.575 23 HZ2 LYS 2 HZ2 LYS 2 -16.807 4.556 -12.073 24 HZ3 LYS 2 HZ3 LYS 2 -16.070 3.440 -13.110 25 H ARG 3 H ARG 3 -12.068 1.053 -5.621 26 HA ARG 3 HA ARG 3 -11.639 3.558 -4.438 27 HB2 ARG 3 HB2 ARG 3 -12.101 1.437 -3.220 28 HB3 ARG 3 HB3 ARG 3 -10.478 0.890 -3.614 29 HG2 ARG 3 HG2 ARG 3 -10.545 1.728 -1.358 30 HG3 ARG 3 HG3 ARG 3 -9.554 2.788 -2.361 31 HD2 ARG 3 HD2 ARG 3 -10.977 4.112 -0.921 32 HD3 ARG 3 HD3 ARG 3 -11.464 4.314 -2.602 33 HE ARG 3 HE ARG 3 -13.054 2.287 -1.632 34 HH11 ARG 3 2HH1 ARG 3 -12.438 5.634 -0.801 35 HH12 ARG 3 1HH1 ARG 3 -14.015 5.895 -0.112 36 HH21 ARG 3 2HH2 ARG 3 -15.140 2.635 -0.755 37 HH22 ARG 3 1HH2 ARG 3 -15.560 4.199 -0.114 38 H LYS 4 H LYS 4 -10.003 4.938 -4.625 39 HA LYS 4 HA LYS 4 -7.581 4.207 -6.001 40 HB2 LYS 4 HB2 LYS 4 -8.256 6.792 -4.586 41 HB3 LYS 4 HB3 LYS 4 -6.977 6.542 -5.769 42 HG2 LYS 4 HG2 LYS 4 -9.943 6.373 -6.288 43 HG3 LYS 4 HG3 LYS 4 -8.863 7.680 -6.779 44 HD2 LYS 4 HD2 LYS 4 -7.693 6.246 -8.284 45 HD3 LYS 4 HD3 LYS 4 -8.521 4.818 -7.661 46 HE2 LYS 4 HE2 LYS 4 -9.465 5.493 -9.802 47 HE3 LYS 4 HE3 LYS 4 -10.648 5.686 -8.510 48 HZ1 LYS 4 HZ1 LYS 4 -10.706 7.587 -9.937 49 HZ2 LYS 4 HZ2 LYS 4 -9.039 7.841 -9.773 50 HZ3 LYS 4 HZ3 LYS 4 -10.070 8.066 -8.442 51 H ILE 5 H ILE 5 -6.008 3.162 -4.992 52 HA ILE 5 HA ILE 5 -5.540 3.770 -2.141 53 HB ILE 5 HB ILE 5 -5.252 1.064 -3.469 54 HG12 ILE 5 2HG1 ILE 5 -7.309 2.066 -1.487 55 HG13 ILE 5 3HG1 ILE 5 -7.601 1.720 -3.188 56 HG21 ILE 5 2HG2 ILE 5 -4.928 1.873 -0.579 57 HG22 ILE 5 1HG2 ILE 5 -3.631 1.403 -1.678 58 HG23 ILE 5 3HG2 ILE 5 -4.854 0.225 -1.199 59 HD11 ILE 5 3HD1 ILE 5 -6.786 -0.293 -1.107 60 HD12 ILE 5 2HD1 ILE 5 -7.113 -0.630 -2.807 61 HD13 ILE 5 1HD1 ILE 5 -8.412 -0.067 -1.753 62 H ILE 6 H ILE 6 -3.473 4.136 -1.540 63 HA ILE 6 HA ILE 6 -1.355 3.439 -3.457 64 HB ILE 6 HB ILE 6 0.047 5.241 -2.517 65 HG12 ILE 6 2HG1 ILE 6 -1.245 5.423 -0.336 66 HG13 ILE 6 3HG1 ILE 6 -0.763 6.942 -1.076 67 HG21 ILE 6 2HG2 ILE 6 -1.145 5.603 -4.590 68 HG22 ILE 6 1HG2 ILE 6 -1.054 7.101 -3.665 69 HG23 ILE 6 3HG2 ILE 6 -2.556 6.178 -3.702 70 HD11 ILE 6 3HD1 ILE 6 -3.510 5.711 -1.182 71 HD12 ILE 6 2HD1 ILE 6 -3.034 7.230 -1.943 72 HD13 ILE 6 1HD1 ILE 6 -3.010 7.078 -0.186 73 H ALA 7 H ALA 7 0.372 2.308 -2.665 74 HA ALA 7 HA ALA 7 0.435 1.735 0.198 75 HB1 ALA 7 HB1 ALA 7 0.143 -0.413 -1.898 76 HB2 ALA 7 HB2 ALA 7 0.413 -0.684 -0.175 77 HB3 ALA 7 HB3 ALA 7 -1.084 0.068 -0.727 78 H VAL 8 H VAL 8 2.427 1.119 0.954 79 HA VAL 8 HA VAL 8 4.551 0.891 -1.071 80 HB VAL 8 HB VAL 8 4.908 1.923 1.747 81 HG11 VAL 8 2HG1 VAL 8 6.781 1.772 -0.613 82 HG12 VAL 8 1HG1 VAL 8 6.899 0.868 0.898 83 HG13 VAL 8 3HG1 VAL 8 7.129 2.616 0.896 84 HG21 VAL 8 3HG2 VAL 8 5.250 4.128 0.707 85 HG22 VAL 8 2HG2 VAL 8 3.612 3.519 0.464 86 HG23 VAL 8 1HG2 VAL 8 4.784 3.448 -0.852 87 H THR 9 H THR 9 5.400 -1.036 -1.179 88 HA THR 9 HA THR 9 5.283 -2.798 1.176 89 HB THR 9 HB THR 9 5.780 -4.615 -0.542 90 HG1 THR 9 HG1 THR 9 6.382 -2.908 -2.158 91 HG21 THR 9 3HG2 THR 9 3.192 -3.085 -0.847 92 HG22 THR 9 1HG2 THR 9 3.542 -4.269 0.414 93 HG23 THR 9 2HG2 THR 9 3.453 -4.777 -1.272 94 H ALA 10 H ALA 10 7.134 -2.955 2.259 95 HA ALA 10 HA ALA 10 9.666 -2.852 0.775 96 HB1 ALA 10 HB1 ALA 10 9.093 -1.206 3.234 97 HB2 ALA 10 HB2 ALA 10 10.628 -1.294 2.370 98 HB3 ALA 10 HB3 ALA 10 9.215 -0.582 1.588 99 H CYS 11 H CYS 11 11.339 -3.992 1.693 100 HA CYS 11 HA CYS 11 11.230 -4.981 4.371 101 HB2 CYS 11 HB2 CYS 11 9.694 -6.566 3.181 102 HB3 CYS 11 HB3 CYS 11 11.037 -7.018 2.139 103 HG CYS 11 HG CYS 11 11.598 -7.311 5.446 104 H ALA 12 H ALA 12 13.261 -5.352 5.085 105 HA ALA 12 HA ALA 12 15.407 -5.184 3.082 106 HB1 ALA 12 HB1 ALA 12 16.851 -4.508 4.942 107 HB2 ALA 12 HB2 ALA 12 15.436 -3.462 4.818 108 HB3 ALA 12 HB3 ALA 12 15.503 -4.709 6.063 109 H THR 13 H THR 13 14.108 -7.111 5.686 110 HA THR 13 HA THR 13 16.246 -8.974 5.839 111 HB THR 13 HB THR 13 14.413 -10.435 6.908 112 HG1 THR 13 HG1 THR 13 13.003 -7.969 7.043 113 HG21 THR 13 3HG2 THR 13 15.050 -7.724 8.081 114 HG22 THR 13 1HG2 THR 13 16.062 -9.165 8.197 115 HG23 THR 13 2HG2 THR 13 14.484 -9.130 8.984 116 H GLY 14 H GLY 14 13.054 -9.124 4.253 117 HA2 GLY 14 HA1 GLY 14 14.091 -11.382 2.650 118 HA3 GLY 14 HA2 GLY 14 12.423 -11.276 3.193 119 H VAL 15 H VAL 15 14.688 -10.406 0.802 120 HA VAL 15 HA VAL 15 13.479 -8.203 -0.414 121 HB VAL 15 HB VAL 15 15.016 -10.415 -1.791 122 HG11 VAL 15 2HG1 VAL 15 13.888 -8.989 -3.382 123 HG12 VAL 15 1HG1 VAL 15 15.617 -8.636 -3.403 124 HG13 VAL 15 3HG1 VAL 15 14.503 -7.548 -2.574 125 HG21 VAL 15 3HG2 VAL 15 16.016 -7.889 -0.478 126 HG22 VAL 15 2HG2 VAL 15 16.993 -9.002 -1.432 127 HG23 VAL 15 1HG2 VAL 15 16.282 -9.538 0.089 128 H ALA 16 H ALA 16 12.973 -11.673 -0.948 129 HA ALA 16 HA ALA 16 11.185 -11.492 -3.095 130 HB1 ALA 16 HB1 ALA 16 10.535 -13.761 -2.546 131 HB2 ALA 16 HB2 ALA 16 12.280 -13.573 -2.379 132 HB3 ALA 16 HB3 ALA 16 11.255 -13.603 -0.944 133 H HIS 17 H HIS 17 10.691 -11.074 0.332 134 HA HIS 17 HA HIS 17 7.869 -11.348 0.369 135 HB2 HIS 17 HB2 HIS 17 9.711 -9.799 2.207 136 HB3 HIS 17 HB3 HIS 17 7.996 -10.052 2.510 137 HD1 HIS 17 HD1 HIS 17 10.197 -11.078 4.454 138 HD2 HIS 17 HD2 HIS 17 8.403 -13.350 1.472 139 HE1 HIS 17 HE1 HIS 17 10.455 -13.470 5.185 140 HE2 HIS 17 HE2 HIS 17 9.200 -14.815 3.456 141 H THR 18 H THR 18 10.041 -8.631 -0.101 142 HA THR 18 HA THR 18 8.227 -6.536 -0.154 143 HB THR 18 HB THR 18 10.667 -6.803 -1.919 144 HG1 THR 18 HG1 THR 18 11.813 -5.982 -0.137 145 HG21 THR 18 3HG2 THR 18 9.284 -4.400 -0.727 146 HG22 THR 18 1HG2 THR 18 9.276 -4.871 -2.426 147 HG23 THR 18 2HG2 THR 18 10.781 -4.361 -1.659 148 H TYR 19 H TYR 19 9.197 -8.773 -2.712 149 HA TYR 19 HA TYR 19 7.722 -7.343 -4.725 150 HB2 TYR 19 HB2 TYR 19 9.232 -9.950 -4.754 151 HB3 TYR 19 HB3 TYR 19 8.343 -9.352 -6.153 152 HD1 TYR 19 HD1 TYR 19 8.946 -6.999 -6.996 153 HD2 TYR 19 HD2 TYR 19 11.436 -9.256 -4.388 154 HE1 TYR 19 HE1 TYR 19 10.866 -5.612 -7.641 155 HE2 TYR 19 HE2 TYR 19 13.366 -7.870 -5.026 156 HH TYR 19 HH TYR 19 14.035 -6.435 -7.003 157 H MET 20 H MET 20 7.335 -10.401 -2.969 158 HA MET 20 HA MET 20 5.037 -11.277 -4.304 159 HB2 MET 20 HB2 MET 20 6.381 -12.680 -2.752 160 HB3 MET 20 HB3 MET 20 5.714 -11.768 -1.402 161 HG2 MET 20 HG2 MET 20 4.486 -13.805 -1.614 162 HG3 MET 20 HG3 MET 20 3.445 -12.464 -2.110 163 HE1 MET 20 HE1 MET 20 2.284 -15.400 -4.429 164 HE2 MET 20 HE2 MET 20 2.801 -15.503 -2.745 165 HE3 MET 20 HE3 MET 20 1.770 -14.172 -3.276 166 H ALA 21 H ALA 21 5.387 -9.240 -1.432 167 HA ALA 21 HA ALA 21 2.666 -9.015 -0.798 168 HB1 ALA 21 HB1 ALA 21 3.294 -7.032 0.470 169 HB2 ALA 21 HB2 ALA 21 4.467 -8.326 0.716 170 HB3 ALA 21 HB3 ALA 21 4.850 -6.981 -0.358 171 H ALA 22 H ALA 22 4.742 -7.039 -2.886 172 HA ALA 22 HA ALA 22 2.772 -5.140 -3.588 173 HB1 ALA 22 HB1 ALA 22 5.212 -5.981 -5.150 174 HB2 ALA 22 HB2 ALA 22 4.280 -4.502 -5.386 175 HB3 ALA 22 HB3 ALA 22 5.174 -4.751 -3.887 176 H GLN 23 H GLN 23 3.774 -8.199 -5.049 177 HA GLN 23 HA GLN 23 2.182 -7.990 -7.376 178 HB2 GLN 23 HB2 GLN 23 3.318 -10.386 -5.935 179 HB3 GLN 23 HB3 GLN 23 2.455 -10.500 -7.463 180 HG2 GLN 23 HG2 GLN 23 4.115 -9.100 -8.535 181 HG3 GLN 23 HG3 GLN 23 4.963 -8.903 -7.003 182 HE21 GLN 23 1HE2 GLN 23 4.197 -11.079 -9.597 183 HE22 GLN 23 2HE2 GLN 23 5.399 -12.272 -9.227 184 H ALA 24 H ALA 24 1.625 -9.578 -4.252 185 HA ALA 24 HA ALA 24 -0.906 -10.643 -4.849 186 HB1 ALA 24 HB1 ALA 24 0.207 -9.798 -2.175 187 HB2 ALA 24 HB2 ALA 24 -1.198 -10.834 -2.423 188 HB3 ALA 24 HB3 ALA 24 0.401 -11.380 -2.932 189 H LEU 25 H LEU 25 0.029 -7.556 -3.367 190 HA LEU 25 HA LEU 25 -2.587 -6.597 -2.937 191 HB2 LEU 25 HB2 LEU 25 0.039 -5.190 -3.329 192 HB3 LEU 25 HB3 LEU 25 -1.452 -4.306 -3.066 193 HG LEU 25 HG LEU 25 -0.232 -6.296 -1.152 194 HD11 LEU 25 2HD1 LEU 25 -0.487 -3.295 -0.983 195 HD12 LEU 25 1HD1 LEU 25 1.003 -4.177 -1.316 196 HD13 LEU 25 3HD1 LEU 25 0.203 -4.356 0.245 197 HD21 LEU 25 3HD2 LEU 25 -2.658 -6.321 -1.032 198 HD22 LEU 25 2HD2 LEU 25 -2.689 -4.561 -0.920 199 HD23 LEU 25 1HD2 LEU 25 -1.988 -5.515 0.387 200 H LYS 26 H LYS 26 -0.415 -6.253 -5.718 201 HA LYS 26 HA LYS 26 -2.072 -4.488 -7.173 202 HB2 LYS 26 HB2 LYS 26 0.335 -4.829 -7.636 203 HB3 LYS 26 HB3 LYS 26 -0.022 -6.443 -8.233 204 HG2 LYS 26 HG2 LYS 26 -1.370 -5.493 -10.028 205 HG3 LYS 26 HG3 LYS 26 -1.040 -3.869 -9.420 206 HD2 LYS 26 HD2 LYS 26 1.102 -5.802 -10.307 207 HD3 LYS 26 HD3 LYS 26 0.393 -4.569 -11.354 208 HE2 LYS 26 HE2 LYS 26 1.166 -2.820 -9.861 209 HE3 LYS 26 HE3 LYS 26 1.800 -4.025 -8.740 210 HZ1 LYS 26 HZ1 LYS 26 2.723 -3.850 -11.545 211 HZ2 LYS 26 HZ2 LYS 26 3.473 -4.639 -10.242 212 HZ3 LYS 26 HZ3 LYS 26 3.441 -2.945 -10.309 213 H LYS 27 H LYS 27 -1.996 -7.983 -6.903 214 HA LYS 27 HA LYS 27 -3.910 -8.425 -8.999 215 HB2 LYS 27 HB2 LYS 27 -2.904 -10.187 -6.763 216 HB3 LYS 27 HB3 LYS 27 -4.096 -10.715 -7.936 217 HG2 LYS 27 HG2 LYS 27 -1.291 -9.817 -8.557 218 HG3 LYS 27 HG3 LYS 27 -1.861 -11.486 -8.517 219 HD2 LYS 27 HD2 LYS 27 -2.972 -9.364 -10.350 220 HD3 LYS 27 HD3 LYS 27 -1.697 -10.493 -10.805 221 HE2 LYS 27 HE2 LYS 27 -4.461 -11.280 -9.888 222 HE3 LYS 27 HE3 LYS 27 -3.938 -11.203 -11.571 223 HZ1 LYS 27 HZ1 LYS 27 -2.911 -13.020 -9.455 224 HZ2 LYS 27 HZ2 LYS 27 -2.203 -12.864 -10.987 225 HZ3 LYS 27 HZ3 LYS 27 -3.790 -13.449 -10.843 226 H GLY 28 H GLY 28 -4.021 -8.404 -5.455 227 HA2 GLY 28 HA1 GLY 28 -6.739 -8.907 -5.100 228 HA3 GLY 28 HA2 GLY 28 -5.736 -7.998 -3.983 229 H ALA 29 H ALA 29 -5.118 -5.883 -5.839 230 HA ALA 29 HA ALA 29 -7.239 -4.110 -5.466 231 HB1 ALA 29 HB1 ALA 29 -4.949 -3.392 -5.934 232 HB2 ALA 29 HB2 ALA 29 -5.092 -4.005 -7.581 233 HB3 ALA 29 HB3 ALA 29 -6.095 -2.655 -7.054 234 H LYS 30 H LYS 30 -6.303 -5.836 -8.450 235 HA LYS 30 HA LYS 30 -8.583 -4.966 -9.901 236 HB2 LYS 30 HB2 LYS 30 -6.380 -6.891 -10.356 237 HB3 LYS 30 HB3 LYS 30 -7.866 -7.190 -11.248 238 HG2 LYS 30 HG2 LYS 30 -6.373 -5.878 -12.593 239 HG3 LYS 30 HG3 LYS 30 -7.766 -4.897 -12.142 240 HD2 LYS 30 HD2 LYS 30 -6.405 -3.881 -10.333 241 HD3 LYS 30 HD3 LYS 30 -5.015 -4.806 -10.903 242 HE2 LYS 30 HE2 LYS 30 -5.192 -3.705 -13.092 243 HE3 LYS 30 HE3 LYS 30 -6.562 -2.767 -12.502 244 HZ1 LYS 30 HZ1 LYS 30 -3.746 -2.615 -11.572 245 HZ2 LYS 30 HZ2 LYS 30 -5.032 -1.843 -10.787 246 HZ3 LYS 30 HZ3 LYS 30 -4.631 -1.414 -12.373 247 H LYS 31 H LYS 31 -7.970 -7.578 -7.723 248 HA LYS 31 HA LYS 31 -10.132 -9.271 -8.322 249 HB2 LYS 31 HB2 LYS 31 -8.284 -9.931 -6.863 250 HB3 LYS 31 HB3 LYS 31 -8.735 -8.692 -5.704 251 HG2 LYS 31 HG2 LYS 31 -9.403 -10.898 -4.955 252 HG3 LYS 31 HG3 LYS 31 -10.805 -9.864 -5.227 253 HD2 LYS 31 HD2 LYS 31 -11.308 -10.960 -7.285 254 HD3 LYS 31 HD3 LYS 31 -9.782 -11.850 -7.246 255 HE2 LYS 31 HE2 LYS 31 -11.792 -13.180 -6.572 256 HE3 LYS 31 HE3 LYS 31 -10.493 -13.146 -5.383 257 HZ1 LYS 31 HZ1 LYS 31 -11.686 -11.539 -4.099 258 HZ2 LYS 31 HZ2 LYS 31 -12.732 -12.835 -4.423 259 HZ3 LYS 31 HZ3 LYS 31 -12.885 -11.386 -5.292 260 H MET 32 H MET 32 -9.857 -6.355 -6.370 261 HA MET 32 HA MET 32 -12.706 -6.518 -5.694 262 HB2 MET 32 HB2 MET 32 -10.487 -4.769 -4.636 263 HB3 MET 32 HB3 MET 32 -12.176 -4.588 -4.174 264 HG2 MET 32 HG2 MET 32 -12.128 -6.951 -3.385 265 HG3 MET 32 HG3 MET 32 -10.390 -6.950 -3.683 266 HE1 MET 32 HE1 MET 32 -10.895 -6.773 0.263 267 HE2 MET 32 HE2 MET 32 -12.026 -7.512 -0.871 268 HE3 MET 32 HE3 MET 32 -10.292 -7.762 -1.067 269 H GLY 33 H GLY 33 -10.923 -5.361 -8.142 270 HA2 GLY 33 HA1 GLY 33 -11.422 -3.934 -9.870 271 HA3 GLY 33 HA2 GLY 33 -13.005 -3.716 -9.143 272 H ASN 34 H ASN 34 -9.812 -2.946 -7.772 273 HA ASN 34 HA ASN 34 -10.595 -0.113 -7.883 274 HB2 ASN 34 HB2 ASN 34 -9.457 0.282 -5.762 275 HB3 ASN 34 HB3 ASN 34 -10.733 -0.908 -5.577 276 HD21 ASN 34 1HD2 ASN 34 -10.233 -2.948 -4.949 277 HD22 ASN 34 2HD2 ASN 34 -8.646 -3.445 -4.482 278 H LEU 35 H LEU 35 -8.535 1.274 -7.349 279 HA LEU 35 HA LEU 35 -6.462 0.362 -9.235 280 HB2 LEU 35 HB2 LEU 35 -7.581 3.132 -8.805 281 HB3 LEU 35 HB3 LEU 35 -6.108 2.824 -9.698 282 HG LEU 35 HG LEU 35 -7.538 1.342 -11.221 283 HD11 LEU 35 2HD1 LEU 35 -9.909 1.906 -11.332 284 HD12 LEU 35 1HD1 LEU 35 -9.743 2.909 -9.889 285 HD13 LEU 35 3HD1 LEU 35 -9.497 1.165 -9.785 286 HD21 LEU 35 3HD2 LEU 35 -6.633 3.495 -11.893 287 HD22 LEU 35 2HD2 LEU 35 -8.002 4.318 -11.147 288 HD23 LEU 35 1HD2 LEU 35 -8.258 3.270 -12.541 289 H ILE 36 H ILE 36 -4.614 -0.033 -8.228 290 HA ILE 36 HA ILE 36 -4.033 1.467 -5.766 291 HB ILE 36 HB ILE 36 -4.431 -0.983 -5.461 292 HG12 ILE 36 2HG1 ILE 36 -1.615 -0.056 -4.842 293 HG13 ILE 36 3HG1 ILE 36 -3.043 0.334 -3.890 294 HG21 ILE 36 2HG2 ILE 36 -3.503 -1.793 -7.554 295 HG22 ILE 36 1HG2 ILE 36 -2.695 -2.560 -6.186 296 HG23 ILE 36 3HG2 ILE 36 -1.892 -1.259 -7.068 297 HD11 ILE 36 3HD1 ILE 36 -3.348 -2.050 -3.407 298 HD12 ILE 36 2HD1 ILE 36 -1.790 -1.442 -2.847 299 HD13 ILE 36 1HD1 ILE 36 -1.881 -2.407 -4.321 300 H LYS 37 H LYS 37 -2.096 2.395 -5.498 301 HA LYS 37 HA LYS 37 -0.036 1.989 -7.565 302 HB2 LYS 37 HB2 LYS 37 -0.911 4.403 -6.049 303 HB3 LYS 37 HB3 LYS 37 0.807 4.237 -6.366 304 HG2 LYS 37 HG2 LYS 37 -1.363 4.261 -8.456 305 HG3 LYS 37 HG3 LYS 37 -0.307 5.614 -8.043 306 HD2 LYS 37 HD2 LYS 37 1.597 3.899 -8.552 307 HD3 LYS 37 HD3 LYS 37 0.335 3.064 -9.458 308 HE2 LYS 37 HE2 LYS 37 1.273 5.901 -9.862 309 HE3 LYS 37 HE3 LYS 37 1.582 4.532 -10.926 310 HZ1 LYS 37 HZ1 LYS 37 -1.054 5.774 -10.359 311 HZ2 LYS 37 HZ2 LYS 37 -0.832 4.376 -11.297 312 HZ3 LYS 37 HZ3 LYS 37 -0.185 5.858 -11.814 313 H VAL 38 H VAL 38 1.281 0.472 -6.753 314 HA VAL 38 HA VAL 38 1.968 0.631 -3.902 315 HB VAL 38 HB VAL 38 0.896 -1.464 -4.461 316 HG11 VAL 38 2HG1 VAL 38 3.101 -1.876 -6.475 317 HG12 VAL 38 1HG1 VAL 38 1.405 -1.567 -6.840 318 HG13 VAL 38 3HG1 VAL 38 1.875 -3.061 -6.028 319 HG21 VAL 38 3HG2 VAL 38 2.618 -3.036 -3.693 320 HG22 VAL 38 2HG2 VAL 38 2.628 -1.535 -2.766 321 HG23 VAL 38 1HG2 VAL 38 3.854 -1.817 -4.002 322 H GLU 39 H GLU 39 3.942 1.203 -3.349 323 HA GLU 39 HA GLU 39 6.033 1.291 -5.399 324 HB2 GLU 39 HB2 GLU 39 5.659 3.339 -4.071 325 HB3 GLU 39 HB3 GLU 39 5.992 2.448 -2.593 326 HG2 GLU 39 HG2 GLU 39 8.274 2.134 -3.206 327 HG3 GLU 39 HG3 GLU 39 7.985 2.763 -4.824 328 H THR 40 H THR 40 7.138 -0.527 -5.580 329 HA THR 40 HA THR 40 7.548 -2.313 -3.365 330 HB THR 40 HB THR 40 8.978 -2.481 -6.008 331 HG1 THR 40 HG1 THR 40 7.169 -3.179 -6.986 332 HG21 THR 40 3HG2 THR 40 7.886 -4.559 -4.106 333 HG22 THR 40 1HG2 THR 40 9.582 -4.106 -4.288 334 HG23 THR 40 2HG2 THR 40 8.733 -4.897 -5.616 335 H GLN 41 H GLN 41 8.849 -1.408 -1.821 336 HA GLN 41 HA GLN 41 11.297 -0.045 -2.646 337 HB2 GLN 41 HB2 GLN 41 9.685 0.809 -0.835 338 HB3 GLN 41 HB3 GLN 41 10.348 -0.458 0.184 339 HG2 GLN 41 HG2 GLN 41 12.422 1.111 -1.070 340 HG3 GLN 41 HG3 GLN 41 11.318 2.109 -0.132 341 HE21 GLN 41 1HE2 GLN 41 12.783 2.589 1.411 342 HE22 GLN 41 2HE2 GLN 41 13.321 1.457 2.596 343 H GLY 42 H GLY 42 12.838 -1.422 -3.181 344 HA2 GLY 42 HA1 GLY 42 13.049 -4.014 -1.882 345 HA3 GLY 42 HA2 GLY 42 13.971 -3.466 -3.276 346 H ALA 43 H ALA 43 13.516 -2.338 0.049 347 HA ALA 43 HA ALA 43 14.947 -1.783 1.712 348 HB1 ALA 43 HB1 ALA 43 16.927 -3.509 0.225 349 HB2 ALA 43 HB2 ALA 43 17.133 -2.887 1.862 350 HB3 ALA 43 HB3 ALA 43 15.842 -4.035 1.511 351 H THR 44 H THR 44 14.802 0.344 1.043 352 HA THR 44 HA THR 44 15.685 2.399 0.673 353 HB THR 44 HB THR 44 18.277 1.047 -0.107 354 HG1 THR 44 HG1 THR 44 18.217 0.496 1.966 355 HG21 THR 44 3HG2 THR 44 17.662 3.851 0.839 356 HG22 THR 44 1HG2 THR 44 18.123 3.387 -0.799 357 HG23 THR 44 2HG2 THR 44 19.273 3.206 0.527 358 H GLY 45 H GLY 45 16.252 -0.090 -1.763 359 HA2 GLY 45 HA1 GLY 45 16.286 1.776 -3.963 360 HA3 GLY 45 HA2 GLY 45 16.204 0.023 -4.078 361 H ILE 46 H ILE 46 14.660 1.744 -5.697 362 HA ILE 46 HA ILE 46 11.952 1.254 -4.624 363 HB ILE 46 HB ILE 46 12.874 3.714 -6.133 364 HG12 ILE 46 2HG1 ILE 46 13.505 3.723 -3.755 365 HG13 ILE 46 3HG1 ILE 46 12.286 4.942 -4.104 366 HG21 ILE 46 2HG2 ILE 46 10.563 4.531 -5.807 367 HG22 ILE 46 1HG2 ILE 46 10.116 2.937 -5.198 368 HG23 ILE 46 3HG2 ILE 46 10.663 3.124 -6.864 369 HD11 ILE 46 3HD1 ILE 46 11.784 2.262 -2.836 370 HD12 ILE 46 2HD1 ILE 46 10.563 3.487 -3.180 371 HD13 ILE 46 1HD1 ILE 46 11.836 3.816 -2.004 372 H GLU 47 H GLU 47 10.640 0.168 -5.990 373 HA GLU 47 HA GLU 47 11.546 -0.301 -8.728 374 HB2 GLU 47 HB2 GLU 47 10.862 -2.238 -7.401 375 HB3 GLU 47 HB3 GLU 47 9.270 -1.531 -7.158 376 HG2 GLU 47 HG2 GLU 47 9.011 -1.581 -9.671 377 HG3 GLU 47 HG3 GLU 47 10.469 -2.569 -9.706 378 H ASN 48 H ASN 48 8.923 1.283 -6.992 379 HA ASN 48 HA ASN 48 7.896 2.365 -9.493 380 HB2 ASN 48 HB2 ASN 48 6.624 0.259 -9.117 381 HB3 ASN 48 HB3 ASN 48 6.114 0.873 -7.553 382 HD21 ASN 48 1HD2 ASN 48 4.601 2.527 -7.449 383 HD22 ASN 48 2HD2 ASN 48 3.636 2.976 -8.812 384 H GLU 49 H GLU 49 8.409 4.420 -8.848 385 HA GLU 49 HA GLU 49 8.024 5.559 -6.341 386 HB2 GLU 49 HB2 GLU 49 7.930 6.849 -9.070 387 HB3 GLU 49 HB3 GLU 49 7.939 7.751 -7.563 388 HG2 GLU 49 HG2 GLU 49 10.122 6.729 -7.021 389 HG3 GLU 49 HG3 GLU 49 10.114 5.963 -8.613 390 H LEU 50 H LEU 50 6.304 6.278 -5.257 391 HA LEU 50 HA LEU 50 3.712 6.328 -6.574 392 HB2 LEU 50 HB2 LEU 50 4.443 6.852 -3.688 393 HB3 LEU 50 HB3 LEU 50 2.808 6.775 -4.322 394 HG LEU 50 HG LEU 50 4.793 4.531 -4.056 395 HD11 LEU 50 2HD1 LEU 50 3.511 5.078 -2.066 396 HD12 LEU 50 1HD1 LEU 50 3.033 3.511 -2.722 397 HD13 LEU 50 3HD1 LEU 50 2.010 4.925 -2.979 398 HD21 LEU 50 3HD2 LEU 50 3.148 3.094 -5.154 399 HD22 LEU 50 2HD2 LEU 50 3.752 4.346 -6.241 400 HD23 LEU 50 1HD2 LEU 50 2.156 4.509 -5.511 401 H THR 51 H THR 51 3.392 8.063 -7.777 402 HA THR 51 HA THR 51 4.757 10.501 -7.373 403 HB THR 51 HB THR 51 2.672 11.107 -9.064 404 HG1 THR 51 HG1 THR 51 1.802 9.168 -9.439 405 HG21 THR 51 3HG2 THR 51 5.323 9.824 -9.734 406 HG22 THR 51 1HG2 THR 51 5.036 11.546 -9.485 407 HG23 THR 51 2HG2 THR 51 4.305 10.719 -10.862 408 H GLU 52 H GLU 52 3.843 12.569 -7.024 409 HA GLU 52 HA GLU 52 2.489 12.707 -4.583 410 HB2 GLU 52 HB2 GLU 52 4.051 14.404 -5.501 411 HB3 GLU 52 HB3 GLU 52 2.819 14.876 -6.660 412 HG2 GLU 52 HG2 GLU 52 1.376 15.617 -4.868 413 HG3 GLU 52 HG3 GLU 52 2.556 15.075 -3.672 414 H LYS 53 H LYS 53 1.336 13.215 -7.882 415 HA LYS 53 HA LYS 53 -1.263 14.060 -7.324 416 HB2 LYS 53 HB2 LYS 53 -1.816 13.163 -9.592 417 HB3 LYS 53 HB3 LYS 53 -0.393 14.198 -9.562 418 HG2 LYS 53 HG2 LYS 53 1.035 12.201 -9.546 419 HG3 LYS 53 HG3 LYS 53 -0.404 11.188 -9.634 420 HD2 LYS 53 HD2 LYS 53 -0.980 12.254 -11.783 421 HD3 LYS 53 HD3 LYS 53 0.517 13.189 -11.692 422 HE2 LYS 53 HE2 LYS 53 1.806 11.106 -11.648 423 HE3 LYS 53 HE3 LYS 53 0.310 10.180 -11.762 424 HZ1 LYS 53 HZ1 LYS 53 1.418 12.030 -13.797 425 HZ2 LYS 53 HZ2 LYS 53 -0.111 11.300 -13.901 426 HZ3 LYS 53 HZ3 LYS 53 1.289 10.343 -13.912 427 H ASP 54 H ASP 54 -0.015 10.755 -7.726 428 HA ASP 54 HA ASP 54 -2.517 9.471 -7.552 429 HB2 ASP 54 HB2 ASP 54 0.280 8.448 -7.082 430 HB3 ASP 54 HB3 ASP 54 -1.145 7.414 -7.055 431 H VAL 55 H VAL 55 -0.157 10.400 -5.156 432 HA VAL 55 HA VAL 55 -1.265 8.989 -2.981 433 HB VAL 55 HB VAL 55 0.356 11.538 -3.002 434 HG11 VAL 55 2HG1 VAL 55 0.846 11.015 -0.658 435 HG12 VAL 55 1HG1 VAL 55 -0.278 9.657 -0.733 436 HG13 VAL 55 3HG1 VAL 55 -0.875 11.306 -0.917 437 HG21 VAL 55 3HG2 VAL 55 1.515 9.658 -4.017 438 HG22 VAL 55 2HG2 VAL 55 1.154 8.655 -2.612 439 HG23 VAL 55 1HG2 VAL 55 2.229 10.044 -2.451 440 H ASN 56 H ASN 56 -1.802 12.274 -4.196 441 HA ASN 56 HA ASN 56 -3.580 13.026 -2.113 442 HB2 ASN 56 HB2 ASN 56 -2.990 14.173 -4.828 443 HB3 ASN 56 HB3 ASN 56 -4.282 14.827 -3.828 444 HD21 ASN 56 1HD2 ASN 56 -0.849 14.469 -4.209 445 HD22 ASN 56 2HD2 ASN 56 -0.399 15.603 -2.983 446 H ILE 57 H ILE 57 -4.029 11.481 -5.227 447 HA ILE 57 HA ILE 57 -6.892 11.659 -5.187 448 HB ILE 57 HB ILE 57 -5.072 9.854 -6.798 449 HG12 ILE 57 2HG1 ILE 57 -6.509 12.408 -7.560 450 HG13 ILE 57 3HG1 ILE 57 -4.785 12.277 -7.229 451 HG21 ILE 57 2HG2 ILE 57 -7.296 8.897 -6.620 452 HG22 ILE 57 1HG2 ILE 57 -7.019 9.507 -8.252 453 HG23 ILE 57 3HG2 ILE 57 -8.014 10.427 -7.121 454 HD11 ILE 57 3HD1 ILE 57 -6.267 10.921 -9.470 455 HD12 ILE 57 2HD1 ILE 57 -4.543 10.768 -9.135 456 HD13 ILE 57 1HD1 ILE 57 -5.213 12.328 -9.610 457 H GLY 58 H GLY 58 -4.505 9.171 -4.387 458 HA2 GLY 58 HA1 GLY 58 -6.264 7.092 -3.755 459 HA3 GLY 58 HA2 GLY 58 -4.633 7.271 -3.125 460 H GLU 59 H GLU 59 -7.262 6.419 -1.953 461 HA GLU 59 HA GLU 59 -7.876 8.443 0.024 462 HB2 GLU 59 HB2 GLU 59 -8.876 5.621 -0.393 463 HB3 GLU 59 HB3 GLU 59 -9.474 6.705 0.856 464 HG2 GLU 59 HG2 GLU 59 -9.561 7.376 -2.069 465 HG3 GLU 59 HG3 GLU 59 -10.858 6.518 -1.240 466 H VAL 60 H VAL 60 -7.157 4.985 0.374 467 HA VAL 60 HA VAL 60 -5.931 5.580 2.958 468 HB VAL 60 HB VAL 60 -6.146 3.134 3.385 469 HG11 VAL 60 2HG1 VAL 60 -7.863 4.705 4.128 470 HG12 VAL 60 1HG1 VAL 60 -8.561 3.145 3.691 471 HG13 VAL 60 3HG1 VAL 60 -8.704 4.515 2.589 472 HG21 VAL 60 3HG2 VAL 60 -7.546 1.788 1.881 473 HG22 VAL 60 2HG2 VAL 60 -6.079 2.344 1.075 474 HG23 VAL 60 1HG2 VAL 60 -7.619 3.139 0.748 475 H VAL 61 H VAL 61 -3.916 4.855 3.522 476 HA VAL 61 HA VAL 61 -2.202 3.975 1.289 477 HB VAL 61 HB VAL 61 -1.271 5.259 3.853 478 HG11 VAL 61 2HG1 VAL 61 0.787 5.651 2.619 479 HG12 VAL 61 1HG1 VAL 61 0.088 4.898 1.187 480 HG13 VAL 61 3HG1 VAL 61 0.383 3.936 2.636 481 HG21 VAL 61 3HG2 VAL 61 -2.720 6.844 2.710 482 HG22 VAL 61 2HG2 VAL 61 -1.812 6.616 1.216 483 HG23 VAL 61 1HG2 VAL 61 -1.034 7.357 2.615 484 H ILE 62 H ILE 62 -1.544 1.912 1.417 485 HA ILE 62 HA ILE 62 -1.674 0.601 4.043 486 HB ILE 62 HB ILE 62 -1.418 -0.650 1.295 487 HG12 ILE 62 2HG1 ILE 62 -3.783 -0.517 3.182 488 HG13 ILE 62 3HG1 ILE 62 -3.614 0.409 1.695 489 HG21 ILE 62 2HG2 ILE 62 -1.897 -2.765 2.477 490 HG22 ILE 62 1HG2 ILE 62 -1.794 -1.902 4.012 491 HG23 ILE 62 3HG2 ILE 62 -0.372 -2.034 2.977 492 HD11 ILE 62 3HD1 ILE 62 -3.769 -2.591 1.881 493 HD12 ILE 62 2HD1 ILE 62 -3.647 -1.648 0.396 494 HD13 ILE 62 1HD1 ILE 62 -5.082 -1.514 1.411 495 H PHE 63 H PHE 63 0.130 0.388 5.138 496 HA PHE 63 HA PHE 63 2.675 0.359 3.680 497 HB2 PHE 63 HB2 PHE 63 1.949 1.161 6.483 498 HB3 PHE 63 HB3 PHE 63 3.610 0.757 6.058 499 HD1 PHE 63 HD1 PHE 63 4.595 2.000 4.031 500 HD2 PHE 63 HD2 PHE 63 1.201 3.325 6.215 501 HE1 PHE 63 HE1 PHE 63 4.965 4.283 3.204 502 HE2 PHE 63 HE2 PHE 63 1.558 5.614 5.389 503 HZ PHE 63 HZ PHE 63 3.442 6.092 3.880 504 H ALA 64 H ALA 64 3.040 -1.714 3.173 505 HA ALA 64 HA ALA 64 3.226 -3.586 5.437 506 HB1 ALA 64 HB1 ALA 64 3.242 -4.148 2.467 507 HB2 ALA 64 HB2 ALA 64 3.378 -5.359 3.740 508 HB3 ALA 64 HB3 ALA 64 1.891 -4.430 3.565 509 H VAL 65 H VAL 65 5.150 -2.889 6.294 510 HA VAL 65 HA VAL 65 7.462 -2.886 4.492 511 HB VAL 65 HB VAL 65 8.296 -0.806 5.610 512 HG11 VAL 65 2HG1 VAL 65 5.718 -0.557 4.066 513 HG12 VAL 65 1HG1 VAL 65 7.331 -0.740 3.375 514 HG13 VAL 65 3HG1 VAL 65 6.916 0.718 4.280 515 HG21 VAL 65 3HG2 VAL 65 6.917 -0.846 7.605 516 HG22 VAL 65 2HG2 VAL 65 5.460 -0.660 6.627 517 HG23 VAL 65 1HG2 VAL 65 6.642 0.648 6.709 518 H ASP 66 H ASP 66 9.293 -3.580 5.278 519 HA ASP 66 HA ASP 66 9.467 -4.350 8.109 520 HB2 ASP 66 HB2 ASP 66 9.812 -6.177 6.569 521 HB3 ASP 66 HB3 ASP 66 10.959 -5.238 5.629 522 H THR 67 H THR 67 10.121 -1.831 6.223 523 HA THR 67 HA THR 67 12.177 -0.809 7.970 524 HB THR 67 HB THR 67 13.507 -1.925 6.205 525 HG1 THR 67 HG1 THR 67 14.806 -0.316 6.606 526 HG21 THR 67 3HG2 THR 67 11.896 -1.757 4.366 527 HG22 THR 67 1HG2 THR 67 13.466 -1.095 3.905 528 HG23 THR 67 2HG2 THR 67 12.136 -0.010 4.315 529 H LYS 68 H LYS 68 12.639 1.589 7.236 530 HA LYS 68 HA LYS 68 10.068 2.846 7.076 531 HB2 LYS 68 HB2 LYS 68 11.226 4.934 7.330 532 HB3 LYS 68 HB3 LYS 68 11.963 3.762 8.416 533 HG2 LYS 68 HG2 LYS 68 13.841 3.500 6.984 534 HG3 LYS 68 HG3 LYS 68 13.067 4.436 5.705 535 HD2 LYS 68 HD2 LYS 68 13.069 6.400 7.237 536 HD3 LYS 68 HD3 LYS 68 14.004 5.439 8.385 537 HE2 LYS 68 HE2 LYS 68 14.849 6.002 5.552 538 HE3 LYS 68 HE3 LYS 68 15.383 6.935 6.950 539 HZ1 LYS 68 HZ1 LYS 68 16.458 5.027 7.851 540 HZ2 LYS 68 HZ2 LYS 68 16.953 5.162 6.229 541 HZ3 LYS 68 HZ3 LYS 68 15.794 4.007 6.668 542 H VAL 69 H VAL 69 10.027 4.922 5.524 543 HA VAL 69 HA VAL 69 10.680 3.970 2.821 544 HB VAL 69 HB VAL 69 8.460 4.603 2.009 545 HG11 VAL 69 2HG1 VAL 69 7.150 2.792 3.079 546 HG12 VAL 69 1HG1 VAL 69 8.414 2.642 4.301 547 HG13 VAL 69 3HG1 VAL 69 8.774 2.293 2.610 548 HG21 VAL 69 3HG2 VAL 69 7.905 6.321 3.607 549 HG22 VAL 69 2HG2 VAL 69 7.839 5.132 4.909 550 HG23 VAL 69 1HG2 VAL 69 6.650 5.082 3.608 551 H ARG 70 H ARG 70 10.022 5.760 1.188 552 HA ARG 70 HA ARG 70 11.364 8.197 2.067 553 HB2 ARG 70 HB2 ARG 70 11.381 8.701 -0.412 554 HB3 ARG 70 HB3 ARG 70 12.278 7.266 0.071 555 HG2 ARG 70 HG2 ARG 70 10.459 5.842 -0.661 556 HG3 ARG 70 HG3 ARG 70 9.486 7.255 -1.066 557 HD2 ARG 70 HD2 ARG 70 12.146 6.622 -2.330 558 HD3 ARG 70 HD3 ARG 70 10.597 6.128 -3.006 559 HE ARG 70 HE ARG 70 11.397 8.944 -2.630 560 HH11 ARG 70 2HH1 ARG 70 9.614 6.455 -4.332 561 HH12 ARG 70 1HH1 ARG 70 9.242 7.480 -5.682 562 HH21 ARG 70 2HH2 ARG 70 10.884 10.306 -4.412 563 HH22 ARG 70 1HH2 ARG 70 9.963 9.654 -5.736 564 H ASN 71 H ASN 71 8.364 7.147 0.541 565 HA ASN 71 HA ASN 71 7.458 9.806 0.034 566 HB2 ASN 71 HB2 ASN 71 6.132 7.123 -0.303 567 HB3 ASN 71 HB3 ASN 71 5.365 8.648 -0.743 568 HD21 ASN 71 1HD2 ASN 71 6.247 6.331 -2.345 569 HD22 ASN 71 2HD2 ASN 71 7.293 6.979 -3.554 570 H LYS 72 H LYS 72 7.462 8.037 2.826 571 HA LYS 72 HA LYS 72 5.037 8.349 4.071 572 HB2 LYS 72 HB2 LYS 72 7.003 7.311 5.125 573 HB3 LYS 72 HB3 LYS 72 7.760 8.890 5.277 574 HG2 LYS 72 HG2 LYS 72 5.962 9.597 6.785 575 HG3 LYS 72 HG3 LYS 72 5.222 8.002 6.638 576 HD2 LYS 72 HD2 LYS 72 7.211 6.978 7.608 577 HD3 LYS 72 HD3 LYS 72 7.984 8.559 7.721 578 HE2 LYS 72 HE2 LYS 72 5.419 7.802 9.108 579 HE3 LYS 72 HE3 LYS 72 7.012 7.759 9.859 580 HZ1 LYS 72 HZ1 LYS 72 5.647 10.177 8.789 581 HZ2 LYS 72 HZ2 LYS 72 7.213 10.153 9.433 582 HZ3 LYS 72 HZ3 LYS 72 5.881 9.797 10.423 583 H GLU 73 H GLU 73 7.281 10.804 3.154 584 HA GLU 73 HA GLU 73 6.660 13.030 4.607 585 HB2 GLU 73 HB2 GLU 73 6.837 12.997 1.591 586 HB3 GLU 73 HB3 GLU 73 7.202 14.345 2.655 587 HG2 GLU 73 HG2 GLU 73 9.224 13.463 3.299 588 HG3 GLU 73 HG3 GLU 73 8.760 11.812 2.895 589 H ARG 74 H ARG 74 4.896 11.848 1.756 590 HA ARG 74 HA ARG 74 2.923 13.950 2.034 591 HB2 ARG 74 HB2 ARG 74 2.092 13.134 -0.120 592 HB3 ARG 74 HB3 ARG 74 3.821 13.440 -0.167 593 HG2 ARG 74 HG2 ARG 74 3.849 10.834 0.468 594 HG3 ARG 74 HG3 ARG 74 2.331 10.910 -0.429 595 HD2 ARG 74 HD2 ARG 74 4.069 10.394 -1.983 596 HD3 ARG 74 HD3 ARG 74 3.568 12.058 -2.258 597 HE ARG 74 HE ARG 74 5.733 12.089 -0.496 598 HH11 ARG 74 2HH1 ARG 74 5.075 11.255 -3.831 599 HH12 ARG 74 1HH1 ARG 74 6.670 11.666 -4.385 600 HH21 ARG 74 2HH2 ARG 74 7.856 12.617 -1.218 601 HH22 ARG 74 1HH2 ARG 74 8.230 12.452 -2.910 602 H PHE 75 H PHE 75 3.176 10.527 2.673 603 HA PHE 75 HA PHE 75 0.371 10.056 2.875 604 HB2 PHE 75 HB2 PHE 75 2.670 8.500 4.070 605 HB3 PHE 75 HB3 PHE 75 1.008 7.945 3.917 606 HD1 PHE 75 HD1 PHE 75 0.248 8.639 1.242 607 HD2 PHE 75 HD2 PHE 75 3.988 7.229 2.691 608 HE1 PHE 75 HE1 PHE 75 0.749 7.697 -0.973 609 HE2 PHE 75 HE2 PHE 75 4.496 6.289 0.479 610 HZ PHE 75 HZ PHE 75 2.874 6.523 -1.358 611 H ASP 76 H ASP 76 2.713 11.500 4.897 612 HA ASP 76 HA ASP 76 1.591 10.889 7.429 613 HB2 ASP 76 HB2 ASP 76 3.924 11.944 6.753 614 HB3 ASP 76 HB3 ASP 76 3.051 13.458 6.970 615 H GLY 77 H GLY 77 -0.322 11.515 8.153 616 HA2 GLY 77 HA1 GLY 77 -1.819 13.310 8.783 617 HA3 GLY 77 HA2 GLY 77 -1.396 14.117 7.277 618 H LYS 78 H LYS 78 -1.525 11.219 6.141 619 HA LYS 78 HA LYS 78 -4.380 11.343 5.516 620 HB2 LYS 78 HB2 LYS 78 -2.049 9.955 4.197 621 HB3 LYS 78 HB3 LYS 78 -3.716 9.644 3.735 622 HG2 LYS 78 HG2 LYS 78 -4.008 11.948 3.079 623 HG3 LYS 78 HG3 LYS 78 -2.389 12.346 3.653 624 HD2 LYS 78 HD2 LYS 78 -2.509 12.074 1.197 625 HD3 LYS 78 HD3 LYS 78 -1.392 10.944 1.963 626 HE2 LYS 78 HE2 LYS 78 -2.744 9.863 0.233 627 HE3 LYS 78 HE3 LYS 78 -3.047 9.179 1.823 628 HZ1 LYS 78 HZ1 LYS 78 -4.771 11.255 0.576 629 HZ2 LYS 78 HZ2 LYS 78 -5.108 10.332 1.961 630 HZ3 LYS 78 HZ3 LYS 78 -5.064 9.591 0.439 631 H VAL 79 H VAL 79 -5.172 8.937 4.958 632 HA VAL 79 HA VAL 79 -5.079 7.592 7.546 633 HB VAL 79 HB VAL 79 -6.846 7.065 5.149 634 HG11 VAL 79 2HG1 VAL 79 -6.567 5.086 6.536 635 HG12 VAL 79 1HG1 VAL 79 -8.199 5.734 6.691 636 HG13 VAL 79 3HG1 VAL 79 -7.014 6.012 7.969 637 HG21 VAL 79 3HG2 VAL 79 -8.610 8.145 6.477 638 HG22 VAL 79 2HG2 VAL 79 -7.284 9.250 6.111 639 HG23 VAL 79 1HG2 VAL 79 -7.420 8.538 7.718 640 H VAL 80 H VAL 80 -3.458 6.159 7.772 641 HA VAL 80 HA VAL 80 -2.948 4.362 5.494 642 HB VAL 80 HB VAL 80 -0.660 4.406 5.790 643 HG11 VAL 80 2HG1 VAL 80 0.065 6.735 5.967 644 HG12 VAL 80 1HG1 VAL 80 -1.519 7.170 6.607 645 HG13 VAL 80 3HG1 VAL 80 -1.371 6.561 4.958 646 HG21 VAL 80 3HG2 VAL 80 -1.032 5.534 8.556 647 HG22 VAL 80 2HG2 VAL 80 0.514 5.179 7.783 648 HG23 VAL 80 1HG2 VAL 80 -0.609 3.868 8.151 649 H LEU 81 H LEU 81 -2.355 2.227 5.964 650 HA LEU 81 HA LEU 81 -2.864 1.325 8.727 651 HB2 LEU 81 HB2 LEU 81 -4.523 0.459 7.165 652 HB3 LEU 81 HB3 LEU 81 -3.251 -0.167 6.133 653 HG LEU 81 HG LEU 81 -2.541 -1.555 8.185 654 HD11 LEU 81 2HD1 LEU 81 -3.892 -0.397 9.839 655 HD12 LEU 81 1HD1 LEU 81 -4.345 -2.098 9.737 656 HD13 LEU 81 3HD1 LEU 81 -5.363 -0.868 8.989 657 HD21 LEU 81 3HD2 LEU 81 -3.449 -2.546 6.207 658 HD22 LEU 81 2HD2 LEU 81 -5.089 -2.107 6.687 659 HD23 LEU 81 1HD2 LEU 81 -4.187 -3.300 7.621 660 H GLU 82 H GLU 82 -1.107 0.564 9.732 661 HA GLU 82 HA GLU 82 1.234 -0.074 8.074 662 HB2 GLU 82 HB2 GLU 82 1.434 1.807 9.688 663 HB3 GLU 82 HB3 GLU 82 1.132 0.679 11.001 664 HG2 GLU 82 HG2 GLU 82 3.169 -0.505 10.511 665 HG3 GLU 82 HG3 GLU 82 3.456 0.511 9.096 666 H VAL 83 H VAL 83 1.097 -2.194 7.655 667 HA VAL 83 HA VAL 83 1.014 -4.027 9.968 668 HB VAL 83 HB VAL 83 0.035 -5.732 8.434 669 HG11 VAL 83 2HG1 VAL 83 -1.594 -3.218 8.781 670 HG12 VAL 83 1HG1 VAL 83 -1.388 -4.500 9.973 671 HG13 VAL 83 3HG1 VAL 83 -2.243 -4.829 8.466 672 HG21 VAL 83 3HG2 VAL 83 -1.032 -4.942 6.341 673 HG22 VAL 83 2HG2 VAL 83 0.727 -4.834 6.301 674 HG23 VAL 83 1HG2 VAL 83 -0.238 -3.382 6.558 675 HA PRO 84 HA PRO 84 4.833 -5.823 8.586 676 HB2 PRO 84 HB2 PRO 84 3.627 -8.520 8.674 677 HB3 PRO 84 HB3 PRO 84 4.992 -7.870 9.586 678 HG2 PRO 84 HG2 PRO 84 2.633 -8.328 10.757 679 HG3 PRO 84 HG3 PRO 84 3.635 -6.934 11.208 680 HD2 PRO 84 HD2 PRO 84 1.208 -7.041 9.459 681 HD3 PRO 84 HD3 PRO 84 1.666 -5.833 10.678 682 H VAL 85 H VAL 85 5.858 -6.757 6.788 683 HA VAL 85 HA VAL 85 4.524 -6.410 4.341 684 HB VAL 85 HB VAL 85 6.950 -6.114 4.630 685 HG11 VAL 85 2HG1 VAL 85 7.415 -8.006 6.080 686 HG12 VAL 85 1HG1 VAL 85 8.449 -8.043 4.653 687 HG13 VAL 85 3HG1 VAL 85 7.058 -9.122 4.762 688 HG21 VAL 85 3HG2 VAL 85 7.658 -7.142 2.517 689 HG22 VAL 85 2HG2 VAL 85 6.075 -6.376 2.390 690 HG23 VAL 85 1HG2 VAL 85 6.198 -8.131 2.522 691 H SER 86 H SER 86 4.839 -9.166 6.384 692 HA SER 86 HA SER 86 4.335 -11.163 4.419 693 HB2 SER 86 HB2 SER 86 3.880 -11.372 7.398 694 HB3 SER 86 HB3 SER 86 4.216 -12.680 6.264 695 HG SER 86 HG SER 86 5.975 -11.437 7.677 696 H ALA 87 H ALA 87 2.326 -8.918 6.044 697 HA ALA 87 HA ALA 87 -0.004 -10.467 6.386 698 HB1 ALA 87 HB1 ALA 87 -1.166 -8.378 6.747 699 HB2 ALA 87 HB2 ALA 87 0.388 -8.368 7.579 700 HB3 ALA 87 HB3 ALA 87 0.192 -7.480 6.067 701 HA PRO 88 HA PRO 88 -1.752 -8.460 2.354 702 HB2 PRO 88 HB2 PRO 88 0.034 -7.488 0.538 703 HB3 PRO 88 HB3 PRO 88 -0.736 -6.494 1.779 704 HG2 PRO 88 HG2 PRO 88 1.978 -7.751 1.770 705 HG3 PRO 88 HG3 PRO 88 1.499 -6.119 2.276 706 HD2 PRO 88 HD2 PRO 88 1.945 -8.078 4.061 707 HD3 PRO 88 HD3 PRO 88 0.689 -6.849 4.314 708 H ILE 89 H ILE 89 1.168 -10.312 2.421 709 HA ILE 89 HA ILE 89 0.998 -11.510 -0.135 710 HB ILE 89 HB ILE 89 2.225 -12.550 2.427 711 HG12 ILE 89 2HG1 ILE 89 3.452 -11.149 0.040 712 HG13 ILE 89 3HG1 ILE 89 3.189 -10.438 1.629 713 HG21 ILE 89 2HG2 ILE 89 3.505 -14.083 1.016 714 HG22 ILE 89 1HG2 ILE 89 2.615 -13.525 -0.401 715 HG23 ILE 89 3HG2 ILE 89 1.772 -14.387 0.887 716 HD11 ILE 89 3HD1 ILE 89 5.502 -11.056 1.352 717 HD12 ILE 89 2HD1 ILE 89 5.043 -12.715 0.973 718 HD13 ILE 89 1HD1 ILE 89 4.757 -12.068 2.589 719 H LYS 90 H LYS 90 -0.277 -12.375 3.033 720 HA LYS 90 HA LYS 90 -1.635 -14.707 1.906 721 HB2 LYS 90 HB2 LYS 90 -1.346 -13.752 4.759 722 HB3 LYS 90 HB3 LYS 90 -2.188 -15.218 4.276 723 HG2 LYS 90 HG2 LYS 90 0.736 -14.649 3.849 724 HG3 LYS 90 HG3 LYS 90 0.051 -15.699 5.092 725 HD2 LYS 90 HD2 LYS 90 -0.944 -17.091 3.296 726 HD3 LYS 90 HD3 LYS 90 -0.119 -16.085 2.104 727 HE2 LYS 90 HE2 LYS 90 2.032 -16.732 3.011 728 HE3 LYS 90 HE3 LYS 90 1.240 -17.663 4.282 729 HZ1 LYS 90 HZ1 LYS 90 0.262 -19.069 2.536 730 HZ2 LYS 90 HZ2 LYS 90 1.957 -19.129 2.542 731 HZ3 LYS 90 HZ3 LYS 90 1.145 -18.220 1.364 732 H ASP 91 H ASP 91 -2.320 -11.664 3.557 733 HA ASP 91 HA ASP 91 -5.202 -12.193 3.245 734 HB2 ASP 91 HB2 ASP 91 -3.720 -10.577 5.327 735 HB3 ASP 91 HB3 ASP 91 -5.472 -10.611 5.175 736 H ALA 92 H ALA 92 -3.850 -11.064 1.073 737 HA ALA 92 HA ALA 92 -3.653 -8.300 0.967 738 HB1 ALA 92 HB1 ALA 92 -3.960 -8.497 -1.458 739 HB2 ALA 92 HB2 ALA 92 -2.887 -9.753 -0.838 740 HB3 ALA 92 HB3 ALA 92 -4.556 -10.145 -1.251 741 H GLU 93 H GLU 93 -6.571 -10.282 0.379 742 HA GLU 93 HA GLU 93 -8.196 -8.031 -0.237 743 HB2 GLU 93 HB2 GLU 93 -8.957 -10.808 0.682 744 HB3 GLU 93 HB3 GLU 93 -10.111 -9.593 0.149 745 HG2 GLU 93 HG2 GLU 93 -8.979 -9.539 -2.047 746 HG3 GLU 93 HG3 GLU 93 -7.924 -10.841 -1.498 747 H LYS 94 H LYS 94 -7.247 -9.583 2.726 748 HA LYS 94 HA LYS 94 -9.276 -8.366 4.346 749 HB2 LYS 94 HB2 LYS 94 -6.694 -9.764 5.042 750 HB3 LYS 94 HB3 LYS 94 -7.744 -9.055 6.257 751 HG2 LYS 94 HG2 LYS 94 -8.297 -11.313 6.244 752 HG3 LYS 94 HG3 LYS 94 -9.577 -10.545 5.308 753 HD2 LYS 94 HD2 LYS 94 -8.650 -11.298 3.259 754 HD3 LYS 94 HD3 LYS 94 -7.147 -11.792 4.042 755 HE2 LYS 94 HE2 LYS 94 -9.869 -13.030 4.436 756 HE3 LYS 94 HE3 LYS 94 -8.516 -13.733 3.551 757 HZ1 LYS 94 HZ1 LYS 94 -8.698 -13.224 6.469 758 HZ2 LYS 94 HZ2 LYS 94 -7.246 -13.618 5.691 759 HZ3 LYS 94 HZ3 LYS 94 -8.538 -14.720 5.684 760 H VAL 95 H VAL 95 -5.903 -7.738 3.591 761 HA VAL 95 HA VAL 95 -5.489 -5.619 5.391 762 HB VAL 95 HB VAL 95 -3.794 -6.997 4.053 763 HG11 VAL 95 2HG1 VAL 95 -2.946 -6.048 2.005 764 HG12 VAL 95 1HG1 VAL 95 -4.249 -4.860 2.011 765 HG13 VAL 95 3HG1 VAL 95 -4.623 -6.578 1.836 766 HG21 VAL 95 3HG2 VAL 95 -3.090 -5.279 5.567 767 HG22 VAL 95 2HG2 VAL 95 -3.436 -4.033 4.367 768 HG23 VAL 95 1HG2 VAL 95 -2.125 -5.181 4.093 769 H ILE 96 H ILE 96 -6.625 -5.743 2.085 770 HA ILE 96 HA ILE 96 -6.832 -2.961 1.640 771 HB ILE 96 HB ILE 96 -8.382 -5.245 0.401 772 HG12 ILE 96 2HG1 ILE 96 -6.072 -3.577 -0.630 773 HG13 ILE 96 3HG1 ILE 96 -5.947 -5.224 -0.020 774 HG21 ILE 96 2HG2 ILE 96 -9.024 -3.637 -1.351 775 HG22 ILE 96 1HG2 ILE 96 -8.281 -2.337 -0.419 776 HG23 ILE 96 3HG2 ILE 96 -9.683 -3.193 0.224 777 HD11 ILE 96 3HD1 ILE 96 -5.928 -5.172 -2.444 778 HD12 ILE 96 2HD1 ILE 96 -7.491 -4.353 -2.451 779 HD13 ILE 96 1HD1 ILE 96 -7.364 -6.004 -1.844 780 H ASN 97 H ASN 97 -9.300 -5.332 2.649 781 HA ASN 97 HA ASN 97 -11.379 -3.515 3.101 782 HB2 ASN 97 HB2 ASN 97 -10.756 -6.191 4.326 783 HB3 ASN 97 HB3 ASN 97 -12.186 -5.273 4.780 784 HD21 ASN 97 1HD2 ASN 97 -12.002 -7.865 3.522 785 HD22 ASN 97 2HD2 ASN 97 -12.839 -7.742 2.012 786 H ALA 98 H ALA 98 -8.802 -4.642 5.217 787 HA ALA 98 HA ALA 98 -9.680 -3.459 7.593 788 HB1 ALA 98 HB1 ALA 98 -7.928 -5.166 7.505 789 HB2 ALA 98 HB2 ALA 98 -6.846 -4.013 6.725 790 HB3 ALA 98 HB3 ALA 98 -7.389 -3.731 8.378 791 H ALA 99 H ALA 99 -7.657 -2.208 4.980 792 HA ALA 99 HA ALA 99 -7.061 0.279 6.191 793 HB1 ALA 99 HB1 ALA 99 -6.436 1.013 3.942 794 HB2 ALA 99 HB2 ALA 99 -5.781 -0.586 4.300 795 HB3 ALA 99 HB3 ALA 99 -7.196 -0.426 3.260 796 H LEU 100 H LEU 100 -9.692 -0.851 4.124 797 HA LEU 100 HA LEU 100 -10.932 1.669 3.761 798 HB2 LEU 100 HB2 LEU 100 -12.216 -1.062 3.712 799 HB3 LEU 100 HB3 LEU 100 -12.892 0.407 3.044 800 HG LEU 100 HG LEU 100 -10.358 -0.909 2.059 801 HD11 LEU 100 2HD1 LEU 100 -12.285 -2.305 1.583 802 HD12 LEU 100 1HD1 LEU 100 -11.695 -1.544 0.105 803 HD13 LEU 100 3HD1 LEU 100 -13.141 -0.923 0.901 804 HD21 LEU 100 3HD2 LEU 100 -10.417 1.512 1.715 805 HD22 LEU 100 2HD2 LEU 100 -11.992 1.364 0.934 806 HD23 LEU 100 1HD2 LEU 100 -10.566 0.642 0.187 807 H ALA 101 H ALA 101 -11.122 -0.764 6.274 808 HA ALA 101 HA ALA 101 -13.397 0.256 7.609 809 HB1 ALA 101 HB1 ALA 101 -12.541 -1.984 8.020 810 HB2 ALA 101 HB2 ALA 101 -11.070 -1.305 8.721 811 HB3 ALA 101 HB3 ALA 101 -12.623 -1.058 9.520 812 H LEU 102 H LEU 102 -10.103 1.292 7.486 813 HA LEU 102 HA LEU 102 -10.073 2.794 9.896 814 HB2 LEU 102 HB2 LEU 102 -8.452 3.172 7.378 815 HB3 LEU 102 HB3 LEU 102 -8.106 3.906 8.931 816 HG LEU 102 HG LEU 102 -8.042 0.948 8.330 817 HD11 LEU 102 2HD1 LEU 102 -5.841 2.946 8.815 818 HD12 LEU 102 1HD1 LEU 102 -6.195 2.114 7.301 819 HD13 LEU 102 3HD1 LEU 102 -5.623 1.202 8.697 820 HD21 LEU 102 3HD2 LEU 102 -8.732 1.399 10.629 821 HD22 LEU 102 2HD2 LEU 102 -7.330 2.447 10.848 822 HD23 LEU 102 1HD2 LEU 102 -7.104 0.720 10.571 823 H ILE 103 H ILE 103 -11.168 3.444 6.637 824 HA ILE 103 HA ILE 103 -11.982 6.142 7.464 825 HB ILE 103 HB ILE 103 -12.628 6.498 5.099 826 HG12 ILE 103 2HG1 ILE 103 -11.361 3.787 4.632 827 HG13 ILE 103 3HG1 ILE 103 -13.083 4.136 4.523 828 HG21 ILE 103 2HG2 ILE 103 -10.419 7.159 5.903 829 HG22 ILE 103 1HG2 ILE 103 -10.368 6.668 4.212 830 HG23 ILE 103 3HG2 ILE 103 -9.781 5.575 5.465 831 HD11 ILE 103 3HD1 ILE 103 -12.654 5.658 2.665 832 HD12 ILE 103 2HD1 ILE 103 -12.065 4.031 2.326 833 HD13 ILE 103 1HD1 ILE 103 -10.930 5.304 2.776 834 H ASP 104 H ASP 104 -13.047 3.198 7.847 835 HA ASP 104 HA ASP 104 -15.018 2.196 8.310 836 HB2 ASP 104 HB2 ASP 104 -15.219 4.381 9.609 837 HB3 ASP 104 HB3 ASP 104 -16.269 4.937 8.310 838 H GLU 105 H GLU 105 -14.315 2.303 5.652 839 HA GLU 105 HA GLU 105 -15.064 2.022 3.535 840 HB2 GLU 105 HB2 GLU 105 -17.625 1.394 5.003 841 HB3 GLU 105 HB3 GLU 105 -17.379 1.110 3.285 842 HG2 GLU 105 HG2 GLU 105 -15.525 -0.408 3.823 843 HG3 GLU 105 HG3 GLU 105 -15.835 -0.150 5.539 844 H LYS 106 H LYS 106 -14.715 4.465 3.640 845 HA LYS 106 HA LYS 106 -17.203 5.924 3.107 846 HB2 LYS 106 HB2 LYS 106 -15.632 6.907 4.748 847 HB3 LYS 106 HB3 LYS 106 -14.391 6.973 3.504 848 HG2 LYS 106 HG2 LYS 106 -16.100 8.394 2.195 849 HG3 LYS 106 HG3 LYS 106 -16.892 8.590 3.759 850 HD2 LYS 106 HD2 LYS 106 -15.359 10.437 3.300 851 HD3 LYS 106 HD3 LYS 106 -14.828 9.498 4.698 852 HE2 LYS 106 HE2 LYS 106 -12.998 10.130 3.116 853 HE3 LYS 106 HE3 LYS 106 -13.144 8.397 3.410 854 HZ1 LYS 106 HZ1 LYS 106 -12.813 8.960 1.045 855 HZ2 LYS 106 HZ2 LYS 106 -14.286 9.798 1.049 856 HZ3 LYS 106 HZ3 LYS 106 -14.264 8.124 1.322 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -16.851 0.281 -4.759 2 H2 MET 1 H2 MET 1 -16.911 -0.811 -6.051 3 H3 MET 1 H3 MET 1 -18.244 0.180 -5.721 4 HA MET 1 HA MET 1 -17.034 0.996 -7.628 5 HB2 MET 1 HB2 MET 1 -16.946 2.626 -5.099 6 HB3 MET 1 HB3 MET 1 -16.389 3.294 -6.627 7 HG2 MET 1 HG2 MET 1 -19.149 2.234 -6.071 8 HG3 MET 1 HG3 MET 1 -18.683 3.933 -6.147 9 HE1 MET 1 HE1 MET 1 -21.090 2.854 -7.828 10 HE2 MET 1 HE2 MET 1 -20.514 4.516 -7.958 11 HE3 MET 1 HE3 MET 1 -20.776 3.556 -9.416 12 H LYS 2 H LYS 2 -15.065 2.225 -8.315 13 HA LYS 2 HA LYS 2 -12.732 0.703 -7.706 14 HB2 LYS 2 HB2 LYS 2 -13.039 3.265 -9.289 15 HB3 LYS 2 HB3 LYS 2 -11.550 2.343 -9.178 16 HG2 LYS 2 HG2 LYS 2 -12.400 1.655 -11.199 17 HG3 LYS 2 HG3 LYS 2 -12.984 0.394 -10.114 18 HD2 LYS 2 HD2 LYS 2 -14.792 1.016 -11.542 19 HD3 LYS 2 HD3 LYS 2 -15.136 1.662 -9.937 20 HE2 LYS 2 HE2 LYS 2 -15.656 3.307 -11.651 21 HE3 LYS 2 HE3 LYS 2 -14.315 3.859 -10.648 22 HZ1 LYS 2 HZ1 LYS 2 -13.838 2.462 -13.212 23 HZ2 LYS 2 HZ2 LYS 2 -12.793 3.483 -12.350 24 HZ3 LYS 2 HZ3 LYS 2 -14.131 4.130 -13.162 25 H ARG 3 H ARG 3 -12.239 0.935 -5.546 26 HA ARG 3 HA ARG 3 -12.118 3.513 -4.305 27 HB2 ARG 3 HB2 ARG 3 -12.335 0.955 -3.353 28 HB3 ARG 3 HB3 ARG 3 -10.653 1.324 -2.998 29 HG2 ARG 3 HG2 ARG 3 -12.123 1.860 -1.123 30 HG3 ARG 3 HG3 ARG 3 -11.316 3.299 -1.756 31 HD2 ARG 3 HD2 ARG 3 -13.288 3.965 -2.934 32 HD3 ARG 3 HD3 ARG 3 -14.093 2.446 -2.552 33 HE ARG 3 HE ARG 3 -13.606 3.458 -0.110 34 HH11 ARG 3 2HH1 ARG 3 -14.961 4.906 -2.983 35 HH12 ARG 3 1HH1 ARG 3 -16.099 5.892 -2.116 36 HH21 ARG 3 2HH2 ARG 3 -15.064 4.759 1.048 37 HH22 ARG 3 1HH2 ARG 3 -16.116 5.846 0.190 38 H LYS 4 H LYS 4 -10.269 4.618 -3.602 39 HA LYS 4 HA LYS 4 -8.013 4.203 -5.424 40 HB2 LYS 4 HB2 LYS 4 -8.443 6.581 -3.626 41 HB3 LYS 4 HB3 LYS 4 -7.477 6.485 -5.090 42 HG2 LYS 4 HG2 LYS 4 -10.483 6.401 -4.938 43 HG3 LYS 4 HG3 LYS 4 -9.499 7.767 -5.464 44 HD2 LYS 4 HD2 LYS 4 -8.645 6.411 -7.324 45 HD3 LYS 4 HD3 LYS 4 -9.671 5.071 -6.806 46 HE2 LYS 4 HE2 LYS 4 -10.607 7.793 -7.709 47 HE3 LYS 4 HE3 LYS 4 -10.699 6.300 -8.640 48 HZ1 LYS 4 HZ1 LYS 4 -12.819 6.752 -7.653 49 HZ2 LYS 4 HZ2 LYS 4 -12.140 6.897 -6.110 50 HZ3 LYS 4 HZ3 LYS 4 -12.157 5.392 -6.887 51 H ILE 5 H ILE 5 -6.253 3.217 -4.662 52 HA ILE 5 HA ILE 5 -5.580 3.534 -1.817 53 HB ILE 5 HB ILE 5 -5.529 0.909 -3.311 54 HG12 ILE 5 2HG1 ILE 5 -7.305 1.812 -1.030 55 HG13 ILE 5 3HG1 ILE 5 -7.818 1.610 -2.701 56 HG21 ILE 5 2HG2 ILE 5 -3.706 1.101 -1.705 57 HG22 ILE 5 1HG2 ILE 5 -4.899 -0.076 -1.157 58 HG23 ILE 5 3HG2 ILE 5 -4.853 1.534 -0.438 59 HD11 ILE 5 3HD1 ILE 5 -8.519 -0.272 -1.362 60 HD12 ILE 5 2HD1 ILE 5 -6.856 -0.569 -0.857 61 HD13 ILE 5 1HD1 ILE 5 -7.318 -0.786 -2.545 62 H ILE 6 H ILE 6 -3.449 3.835 -1.420 63 HA ILE 6 HA ILE 6 -1.558 3.115 -3.554 64 HB ILE 6 HB ILE 6 -0.040 4.906 -2.830 65 HG12 ILE 6 2HG1 ILE 6 -1.034 5.109 -0.495 66 HG13 ILE 6 3HG1 ILE 6 -0.610 6.613 -1.297 67 HG21 ILE 6 2HG2 ILE 6 -1.454 5.308 -4.726 68 HG22 ILE 6 1HG2 ILE 6 -1.292 6.798 -3.797 69 HG23 ILE 6 3HG2 ILE 6 -2.770 5.842 -3.681 70 HD11 ILE 6 3HD1 ILE 6 -2.962 6.967 -1.860 71 HD12 ILE 6 2HD1 ILE 6 -2.712 6.812 -0.121 72 HD13 ILE 6 1HD1 ILE 6 -3.380 5.462 -1.040 73 H ALA 7 H ALA 7 0.211 1.970 -2.946 74 HA ALA 7 HA ALA 7 0.476 1.355 -0.091 75 HB1 ALA 7 HB1 ALA 7 0.581 -1.030 -0.538 76 HB2 ALA 7 HB2 ALA 7 -0.963 -0.372 -1.083 77 HB3 ALA 7 HB3 ALA 7 0.305 -0.739 -2.256 78 H VAL 8 H VAL 8 2.535 0.858 0.571 79 HA VAL 8 HA VAL 8 4.617 0.866 -1.517 80 HB VAL 8 HB VAL 8 4.855 2.063 1.255 81 HG11 VAL 8 2HG1 VAL 8 6.949 1.081 0.461 82 HG12 VAL 8 1HG1 VAL 8 7.047 2.841 0.516 83 HG13 VAL 8 3HG1 VAL 8 6.827 2.018 -1.028 84 HG21 VAL 8 3HG2 VAL 8 5.024 4.216 0.099 85 HG22 VAL 8 2HG2 VAL 8 3.472 3.437 -0.218 86 HG23 VAL 8 1HG2 VAL 8 4.739 3.411 -1.445 87 H THR 9 H THR 9 6.024 -0.760 -1.454 88 HA THR 9 HA THR 9 5.892 -2.616 0.831 89 HB THR 9 HB THR 9 6.621 -4.358 -0.894 90 HG1 THR 9 HG1 THR 9 5.872 -2.202 -2.604 91 HG21 THR 9 3HG2 THR 9 3.905 -3.071 -1.181 92 HG22 THR 9 1HG2 THR 9 4.361 -4.291 0.010 93 HG23 THR 9 2HG2 THR 9 4.325 -4.704 -1.705 94 H ALA 10 H ALA 10 7.781 -3.021 1.869 95 HA ALA 10 HA ALA 10 10.323 -2.683 0.550 96 HB1 ALA 10 HB1 ALA 10 11.145 -0.865 1.937 97 HB2 ALA 10 HB2 ALA 10 9.727 -0.349 1.025 98 HB3 ALA 10 HB3 ALA 10 9.578 -0.744 2.737 99 H CYS 11 H CYS 11 10.877 -4.722 1.237 100 HA CYS 11 HA CYS 11 11.153 -5.050 4.150 101 HB2 CYS 11 HB2 CYS 11 9.551 -6.654 3.242 102 HB3 CYS 11 HB3 CYS 11 10.728 -7.186 2.048 103 HG CYS 11 HG CYS 11 10.417 -8.035 5.278 104 H ALA 12 H ALA 12 13.150 -5.318 4.915 105 HA ALA 12 HA ALA 12 15.342 -5.491 2.992 106 HB1 ALA 12 HB1 ALA 12 15.393 -4.878 5.944 107 HB2 ALA 12 HB2 ALA 12 16.770 -4.794 4.845 108 HB3 ALA 12 HB3 ALA 12 15.411 -3.689 4.642 109 H THR 13 H THR 13 13.623 -7.450 5.191 110 HA THR 13 HA THR 13 15.689 -9.258 5.922 111 HB THR 13 HB THR 13 12.813 -10.083 5.677 112 HG1 THR 13 HG1 THR 13 13.949 -8.294 7.586 113 HG21 THR 13 3HG2 THR 13 13.342 -11.294 7.754 114 HG22 THR 13 1HG2 THR 13 14.982 -10.651 7.697 115 HG23 THR 13 2HG2 THR 13 14.420 -11.746 6.433 116 H GLY 14 H GLY 14 13.095 -9.414 3.498 117 HA2 GLY 14 HA1 GLY 14 14.820 -11.068 1.812 118 HA3 GLY 14 HA2 GLY 14 13.254 -11.725 2.272 119 H VAL 15 H VAL 15 14.888 -10.007 -0.045 120 HA VAL 15 HA VAL 15 13.057 -8.027 -0.793 121 HB VAL 15 HB VAL 15 14.212 -8.058 -2.988 122 HG11 VAL 15 2HG1 VAL 15 15.069 -6.702 -1.174 123 HG12 VAL 15 1HG1 VAL 15 16.407 -7.365 -2.117 124 HG13 VAL 15 3HG1 VAL 15 15.988 -8.073 -0.555 125 HG21 VAL 15 3HG2 VAL 15 16.165 -9.508 -3.293 126 HG22 VAL 15 2HG2 VAL 15 14.675 -10.441 -3.161 127 HG23 VAL 15 1HG2 VAL 15 15.777 -10.339 -1.787 128 H ALA 16 H ALA 16 13.140 -11.456 -1.440 129 HA ALA 16 HA ALA 16 11.421 -11.552 -3.656 130 HB1 ALA 16 HB1 ALA 16 11.731 -13.590 -1.455 131 HB2 ALA 16 HB2 ALA 16 11.033 -13.877 -3.050 132 HB3 ALA 16 HB3 ALA 16 12.741 -13.468 -2.895 133 H HIS 17 H HIS 17 10.790 -11.281 -0.216 134 HA HIS 17 HA HIS 17 7.973 -11.698 -0.394 135 HB2 HIS 17 HB2 HIS 17 9.729 -10.474 1.734 136 HB3 HIS 17 HB3 HIS 17 7.976 -10.538 1.890 137 HD1 HIS 17 HD1 HIS 17 10.602 -12.209 3.290 138 HD2 HIS 17 HD2 HIS 17 7.322 -13.552 1.108 139 HE1 HIS 17 HE1 HIS 17 10.335 -14.636 3.885 140 HE2 HIS 17 HE2 HIS 17 8.242 -15.378 2.696 141 H THR 18 H THR 18 10.095 -8.937 -0.643 142 HA THR 18 HA THR 18 8.171 -6.900 -0.455 143 HB THR 18 HB THR 18 10.694 -6.812 -2.116 144 HG1 THR 18 HG1 THR 18 11.809 -6.608 -0.277 145 HG21 THR 18 3HG2 THR 18 9.130 -4.677 -0.655 146 HG22 THR 18 1HG2 THR 18 9.242 -4.881 -2.403 147 HG23 THR 18 2HG2 THR 18 10.672 -4.427 -1.474 148 H TYR 19 H TYR 19 9.428 -8.704 -3.251 149 HA TYR 19 HA TYR 19 7.944 -7.317 -5.217 150 HB2 TYR 19 HB2 TYR 19 9.131 -10.094 -5.189 151 HB3 TYR 19 HB3 TYR 19 8.319 -9.416 -6.594 152 HD1 TYR 19 HD2 TYR 19 9.278 -7.294 -7.622 153 HD2 TYR 19 HD1 TYR 19 11.396 -9.640 -4.772 154 HE1 TYR 19 HE2 TYR 19 11.390 -6.265 -8.354 155 HE2 TYR 19 HE1 TYR 19 13.512 -8.623 -5.497 156 HH TYR 19 HH TYR 19 13.627 -5.879 -7.593 157 H MET 20 H MET 20 7.235 -10.162 -3.242 158 HA MET 20 HA MET 20 4.871 -10.816 -4.713 159 HB2 MET 20 HB2 MET 20 6.236 -12.497 -3.466 160 HB3 MET 20 HB3 MET 20 5.633 -11.799 -1.968 161 HG2 MET 20 HG2 MET 20 3.363 -12.369 -2.566 162 HG3 MET 20 HG3 MET 20 3.907 -12.983 -4.128 163 HE1 MET 20 HE1 MET 20 2.078 -14.770 -2.346 164 HE2 MET 20 HE2 MET 20 2.795 -15.322 -3.862 165 HE3 MET 20 HE3 MET 20 2.923 -16.317 -2.411 166 H ALA 21 H ALA 21 5.520 -9.090 -1.697 167 HA ALA 21 HA ALA 21 2.870 -8.849 -0.813 168 HB1 ALA 21 HB1 ALA 21 3.652 -6.948 0.497 169 HB2 ALA 21 HB2 ALA 21 4.812 -8.275 0.568 170 HB3 ALA 21 HB3 ALA 21 5.130 -6.881 -0.465 171 H ALA 22 H ALA 22 4.759 -6.930 -3.079 172 HA ALA 22 HA ALA 22 2.891 -4.860 -3.474 173 HB1 ALA 22 HB1 ALA 22 5.227 -4.658 -4.131 174 HB2 ALA 22 HB2 ALA 22 5.001 -5.906 -5.357 175 HB3 ALA 22 HB3 ALA 22 4.161 -4.362 -5.506 176 H GLN 23 H GLN 23 3.476 -7.871 -5.252 177 HA GLN 23 HA GLN 23 1.469 -7.347 -7.212 178 HB2 GLN 23 HB2 GLN 23 1.923 -9.572 -8.033 179 HB3 GLN 23 HB3 GLN 23 3.444 -8.785 -7.637 180 HG2 GLN 23 HG2 GLN 23 3.336 -9.998 -5.427 181 HG3 GLN 23 HG3 GLN 23 2.019 -10.940 -6.118 182 HE21 GLN 23 1HE2 GLN 23 4.769 -9.777 -7.926 183 HE22 GLN 23 2HE2 GLN 23 5.474 -11.328 -8.227 184 H ALA 24 H ALA 24 1.504 -8.968 -4.110 185 HA ALA 24 HA ALA 24 -1.002 -10.304 -4.455 186 HB1 ALA 24 HB1 ALA 24 0.664 -11.097 -2.844 187 HB2 ALA 24 HB2 ALA 24 0.459 -9.616 -1.908 188 HB3 ALA 24 HB3 ALA 24 -0.880 -10.753 -2.065 189 H LEU 25 H LEU 25 0.022 -7.277 -2.920 190 HA LEU 25 HA LEU 25 -2.528 -6.457 -2.048 191 HB2 LEU 25 HB2 LEU 25 -0.057 -4.927 -2.812 192 HB3 LEU 25 HB3 LEU 25 -1.527 -4.105 -2.323 193 HG LEU 25 HG LEU 25 -0.020 -6.094 -0.622 194 HD11 LEU 25 2HD1 LEU 25 0.666 -4.166 0.698 195 HD12 LEU 25 1HD1 LEU 25 -0.150 -3.086 -0.434 196 HD13 LEU 25 3HD1 LEU 25 1.247 -4.025 -0.961 197 HD21 LEU 25 3HD2 LEU 25 -1.494 -5.321 1.167 198 HD22 LEU 25 2HD2 LEU 25 -2.423 -6.026 -0.157 199 HD23 LEU 25 1HD2 LEU 25 -2.340 -4.274 0.028 200 H LYS 26 H LYS 26 -0.822 -5.945 -5.105 201 HA LYS 26 HA LYS 26 -2.836 -4.389 -6.339 202 HB2 LYS 26 HB2 LYS 26 -0.439 -4.634 -7.094 203 HB3 LYS 26 HB3 LYS 26 -0.863 -6.224 -7.712 204 HG2 LYS 26 HG2 LYS 26 -2.412 -5.257 -9.277 205 HG3 LYS 26 HG3 LYS 26 -2.153 -3.650 -8.593 206 HD2 LYS 26 HD2 LYS 26 -0.037 -5.341 -9.924 207 HD3 LYS 26 HD3 LYS 26 -0.893 -4.001 -10.686 208 HE2 LYS 26 HE2 LYS 26 0.036 -2.453 -9.059 209 HE3 LYS 26 HE3 LYS 26 0.831 -3.781 -8.217 210 HZ1 LYS 26 HZ1 LYS 26 2.400 -2.645 -9.624 211 HZ2 LYS 26 HZ2 LYS 26 1.410 -2.859 -10.982 212 HZ3 LYS 26 HZ3 LYS 26 2.126 -4.203 -10.240 213 H LYS 27 H LYS 27 -2.258 -7.843 -6.092 214 HA LYS 27 HA LYS 27 -4.254 -8.832 -7.752 215 HB2 LYS 27 HB2 LYS 27 -2.889 -10.499 -6.932 216 HB3 LYS 27 HB3 LYS 27 -2.855 -9.823 -5.312 217 HG2 LYS 27 HG2 LYS 27 -5.129 -10.638 -4.920 218 HG3 LYS 27 HG3 LYS 27 -5.163 -11.320 -6.548 219 HD2 LYS 27 HD2 LYS 27 -3.458 -12.889 -6.016 220 HD3 LYS 27 HD3 LYS 27 -3.091 -12.072 -4.496 221 HE2 LYS 27 HE2 LYS 27 -5.759 -13.346 -5.075 222 HE3 LYS 27 HE3 LYS 27 -4.426 -14.212 -4.312 223 HZ1 LYS 27 HZ1 LYS 27 -5.779 -11.774 -3.256 224 HZ2 LYS 27 HZ2 LYS 27 -4.435 -12.522 -2.550 225 HZ3 LYS 27 HZ3 LYS 27 -5.905 -13.346 -2.639 226 H GLY 28 H GLY 28 -4.464 -8.127 -4.263 227 HA2 GLY 28 HA1 GLY 28 -7.184 -8.792 -4.002 228 HA3 GLY 28 HA2 GLY 28 -6.267 -7.788 -2.890 229 H ALA 29 H ALA 29 -5.605 -5.703 -4.663 230 HA ALA 29 HA ALA 29 -7.924 -4.118 -4.430 231 HB1 ALA 29 HB1 ALA 29 -5.476 -3.577 -6.105 232 HB2 ALA 29 HB2 ALA 29 -6.668 -2.393 -5.573 233 HB3 ALA 29 HB3 ALA 29 -5.642 -3.204 -4.390 234 H LYS 30 H LYS 30 -6.367 -5.570 -7.289 235 HA LYS 30 HA LYS 30 -8.335 -4.566 -9.078 236 HB2 LYS 30 HB2 LYS 30 -5.998 -6.344 -9.273 237 HB3 LYS 30 HB3 LYS 30 -7.279 -6.687 -10.429 238 HG2 LYS 30 HG2 LYS 30 -5.656 -5.176 -11.387 239 HG3 LYS 30 HG3 LYS 30 -7.211 -4.368 -11.193 240 HD2 LYS 30 HD2 LYS 30 -6.340 -3.402 -9.052 241 HD3 LYS 30 HD3 LYS 30 -4.757 -4.064 -9.469 242 HE2 LYS 30 HE2 LYS 30 -4.816 -1.768 -10.154 243 HE3 LYS 30 HE3 LYS 30 -4.852 -2.780 -11.598 244 HZ1 LYS 30 HZ1 LYS 30 -6.437 -1.006 -11.811 245 HZ2 LYS 30 HZ2 LYS 30 -7.172 -1.415 -10.341 246 HZ3 LYS 30 HZ3 LYS 30 -7.283 -2.471 -11.661 247 H LYS 31 H LYS 31 -8.125 -7.406 -7.102 248 HA LYS 31 HA LYS 31 -10.117 -8.983 -8.283 249 HB2 LYS 31 HB2 LYS 31 -8.768 -9.904 -6.539 250 HB3 LYS 31 HB3 LYS 31 -9.242 -8.640 -5.415 251 HG2 LYS 31 HG2 LYS 31 -11.508 -9.538 -5.352 252 HG3 LYS 31 HG3 LYS 31 -11.043 -10.797 -6.498 253 HD2 LYS 31 HD2 LYS 31 -9.482 -11.729 -4.924 254 HD3 LYS 31 HD3 LYS 31 -9.749 -10.392 -3.805 255 HE2 LYS 31 HE2 LYS 31 -11.887 -12.332 -4.672 256 HE3 LYS 31 HE3 LYS 31 -10.931 -12.506 -3.202 257 HZ1 LYS 31 HZ1 LYS 31 -13.102 -11.466 -2.819 258 HZ2 LYS 31 HZ2 LYS 31 -12.663 -10.172 -3.817 259 HZ3 LYS 31 HZ3 LYS 31 -11.825 -10.452 -2.374 260 H MET 32 H MET 32 -10.270 -6.154 -6.257 261 HA MET 32 HA MET 32 -13.191 -6.321 -6.126 262 HB2 MET 32 HB2 MET 32 -11.306 -4.410 -4.728 263 HB3 MET 32 HB3 MET 32 -13.036 -4.556 -4.447 264 HG2 MET 32 HG2 MET 32 -10.935 -6.627 -3.861 265 HG3 MET 32 HG3 MET 32 -11.820 -5.655 -2.688 266 HE1 MET 32 HE1 MET 32 -15.468 -7.068 -3.098 267 HE2 MET 32 HE2 MET 32 -14.444 -5.912 -2.245 268 HE3 MET 32 HE3 MET 32 -14.767 -5.703 -3.966 269 H GLY 33 H GLY 33 -11.032 -5.279 -8.252 270 HA2 GLY 33 HA1 GLY 33 -11.225 -3.913 -10.084 271 HA3 GLY 33 HA2 GLY 33 -12.855 -3.528 -9.560 272 H ASN 34 H ASN 34 -10.070 -3.009 -7.529 273 HA ASN 34 HA ASN 34 -10.776 -0.196 -7.355 274 HB2 ASN 34 HB2 ASN 34 -8.809 -1.893 -5.815 275 HB3 ASN 34 HB3 ASN 34 -9.099 -0.187 -5.499 276 HD21 ASN 34 1HD2 ASN 34 -9.618 -2.913 -4.147 277 HD22 ASN 34 2HD2 ASN 34 -11.220 -2.728 -3.524 278 H LEU 35 H LEU 35 -8.934 1.375 -7.129 279 HA LEU 35 HA LEU 35 -6.957 0.919 -9.269 280 HB2 LEU 35 HB2 LEU 35 -7.984 3.540 -8.171 281 HB3 LEU 35 HB3 LEU 35 -6.879 3.342 -9.518 282 HG LEU 35 HG LEU 35 -9.755 2.426 -9.487 283 HD11 LEU 35 2HD1 LEU 35 -8.454 4.764 -10.870 284 HD12 LEU 35 1HD1 LEU 35 -9.549 4.857 -9.491 285 HD13 LEU 35 3HD1 LEU 35 -10.136 4.261 -11.044 286 HD21 LEU 35 3HD2 LEU 35 -9.416 2.056 -11.884 287 HD22 LEU 35 2HD2 LEU 35 -8.348 1.039 -10.916 288 HD23 LEU 35 1HD2 LEU 35 -7.714 2.482 -11.709 289 H ILE 36 H ILE 36 -4.903 0.690 -8.585 290 HA ILE 36 HA ILE 36 -4.190 1.845 -5.991 291 HB ILE 36 HB ILE 36 -4.930 -0.476 -5.589 292 HG12 ILE 36 2HG1 ILE 36 -1.958 -0.076 -5.209 293 HG13 ILE 36 3HG1 ILE 36 -3.209 0.597 -4.172 294 HG21 ILE 36 2HG2 ILE 36 -3.580 -2.352 -6.406 295 HG22 ILE 36 1HG2 ILE 36 -2.626 -1.231 -7.378 296 HG23 ILE 36 3HG2 ILE 36 -4.340 -1.460 -7.725 297 HD11 ILE 36 3HD1 ILE 36 -2.203 -1.377 -3.181 298 HD12 ILE 36 2HD1 ILE 36 -2.656 -2.332 -4.590 299 HD13 ILE 36 1HD1 ILE 36 -3.905 -1.655 -3.547 300 H LYS 37 H LYS 37 -2.162 2.571 -5.826 301 HA LYS 37 HA LYS 37 -0.270 1.868 -7.972 302 HB2 LYS 37 HB2 LYS 37 -0.636 4.439 -6.452 303 HB3 LYS 37 HB3 LYS 37 0.893 4.052 -7.229 304 HG2 LYS 37 HG2 LYS 37 -1.786 4.407 -8.549 305 HG3 LYS 37 HG3 LYS 37 -0.362 5.440 -8.704 306 HD2 LYS 37 HD2 LYS 37 0.832 3.395 -9.631 307 HD3 LYS 37 HD3 LYS 37 -0.758 2.642 -9.738 308 HE2 LYS 37 HE2 LYS 37 -0.326 3.553 -11.870 309 HE3 LYS 37 HE3 LYS 37 -1.475 4.644 -11.098 310 HZ1 LYS 37 HZ1 LYS 37 0.348 5.804 -12.250 311 HZ2 LYS 37 HZ2 LYS 37 1.461 5.085 -11.187 312 HZ3 LYS 37 HZ3 LYS 37 0.296 6.165 -10.592 313 H VAL 38 H VAL 38 1.112 0.423 -7.255 314 HA VAL 38 HA VAL 38 1.798 0.412 -4.407 315 HB VAL 38 HB VAL 38 2.326 -1.775 -6.421 316 HG11 VAL 38 2HG1 VAL 38 3.771 -1.874 -4.482 317 HG12 VAL 38 1HG1 VAL 38 2.585 -3.179 -4.410 318 HG13 VAL 38 3HG1 VAL 38 2.381 -1.742 -3.407 319 HG21 VAL 38 3HG2 VAL 38 0.388 -2.932 -5.436 320 HG22 VAL 38 2HG2 VAL 38 -0.068 -1.438 -6.255 321 HG23 VAL 38 1HG2 VAL 38 0.024 -1.486 -4.494 322 H GLU 39 H GLU 39 3.624 1.316 -3.858 323 HA GLU 39 HA GLU 39 5.845 1.471 -5.746 324 HB2 GLU 39 HB2 GLU 39 5.220 3.471 -4.462 325 HB3 GLU 39 HB3 GLU 39 5.504 2.600 -2.962 326 HG2 GLU 39 HG2 GLU 39 7.881 2.324 -3.659 327 HG3 GLU 39 HG3 GLU 39 7.541 3.384 -5.027 328 H THR 40 H THR 40 7.929 0.687 -5.208 329 HA THR 40 HA THR 40 8.076 -1.215 -2.983 330 HB THR 40 HB THR 40 9.031 -1.672 -5.817 331 HG1 THR 40 HG1 THR 40 7.080 -2.931 -4.154 332 HG21 THR 40 3HG2 THR 40 10.682 -2.497 -4.177 333 HG22 THR 40 1HG2 THR 40 9.897 -3.812 -5.055 334 HG23 THR 40 2HG2 THR 40 9.412 -3.441 -3.401 335 H GLN 41 H GLN 41 9.873 -0.984 -1.759 336 HA GLN 41 HA GLN 41 12.094 0.613 -2.854 337 HB2 GLN 41 HB2 GLN 41 10.625 1.957 -1.343 338 HB3 GLN 41 HB3 GLN 41 10.987 0.830 -0.044 339 HG2 GLN 41 HG2 GLN 41 13.368 1.907 -1.329 340 HG3 GLN 41 HG3 GLN 41 12.341 3.146 -0.610 341 HE21 GLN 41 1HE2 GLN 41 13.856 3.613 0.972 342 HE22 GLN 41 2HE2 GLN 41 14.162 2.552 2.302 343 H GLY 42 H GLY 42 14.050 -0.246 -2.567 344 HA2 GLY 42 HA1 GLY 42 14.222 -2.670 -0.898 345 HA3 GLY 42 HA2 GLY 42 15.258 -2.308 -2.269 346 H ALA 43 H ALA 43 14.343 -0.933 0.868 347 HA ALA 43 HA ALA 43 15.579 -0.371 2.691 348 HB1 ALA 43 HB1 ALA 43 17.924 -0.960 2.885 349 HB2 ALA 43 HB2 ALA 43 16.994 -2.313 2.244 350 HB3 ALA 43 HB3 ALA 43 17.989 -1.338 1.164 351 H THR 44 H THR 44 17.045 0.589 -0.379 352 HA THR 44 HA THR 44 16.947 3.351 0.509 353 HB THR 44 HB THR 44 19.196 2.557 1.195 354 HG1 THR 44 HG1 THR 44 20.283 4.221 -0.391 355 HG21 THR 44 3HG2 THR 44 19.558 0.888 -0.557 356 HG22 THR 44 1HG2 THR 44 20.878 2.057 -0.511 357 HG23 THR 44 2HG2 THR 44 19.645 2.168 -1.767 358 H GLY 45 H GLY 45 17.041 0.944 -1.949 359 HA2 GLY 45 HA1 GLY 45 17.016 2.940 -4.088 360 HA3 GLY 45 HA2 GLY 45 17.122 1.197 -4.300 361 H ILE 46 H ILE 46 15.128 3.844 -4.487 362 HA ILE 46 HA ILE 46 12.673 2.378 -3.929 363 HB ILE 46 HB ILE 46 12.962 5.234 -4.887 364 HG12 ILE 46 2HG1 ILE 46 12.645 4.194 -2.060 365 HG13 ILE 46 3HG1 ILE 46 14.126 4.871 -2.729 366 HG21 ILE 46 2HG2 ILE 46 10.761 4.314 -5.272 367 HG22 ILE 46 1HG2 ILE 46 10.692 5.468 -3.940 368 HG23 ILE 46 3HG2 ILE 46 10.679 3.737 -3.607 369 HD11 ILE 46 3HD1 ILE 46 13.022 7.021 -3.016 370 HD12 ILE 46 2HD1 ILE 46 12.941 6.480 -1.338 371 HD13 ILE 46 1HD1 ILE 46 11.524 6.345 -2.380 372 H GLU 47 H GLU 47 11.485 1.434 -5.470 373 HA GLU 47 HA GLU 47 12.415 1.352 -8.173 374 HB2 GLU 47 HB2 GLU 47 10.019 0.208 -6.758 375 HB3 GLU 47 HB3 GLU 47 10.256 0.010 -8.487 376 HG2 GLU 47 HG2 GLU 47 12.451 -0.765 -6.638 377 HG3 GLU 47 HG3 GLU 47 11.042 -1.814 -6.786 378 H ASN 48 H ASN 48 9.265 2.325 -6.830 379 HA ASN 48 HA ASN 48 8.609 3.593 -9.349 380 HB2 ASN 48 HB2 ASN 48 6.917 2.213 -8.235 381 HB3 ASN 48 HB3 ASN 48 6.961 3.278 -6.832 382 HD21 ASN 48 1HD2 ASN 48 4.817 3.860 -6.985 383 HD22 ASN 48 2HD2 ASN 48 4.211 4.878 -8.246 384 H GLU 49 H GLU 49 8.845 4.566 -5.939 385 HA GLU 49 HA GLU 49 8.891 6.572 -4.901 386 HB2 GLU 49 HB2 GLU 49 10.843 6.880 -6.567 387 HB3 GLU 49 HB3 GLU 49 9.727 7.870 -7.493 388 HG2 GLU 49 HG2 GLU 49 10.225 8.444 -4.603 389 HG3 GLU 49 HG3 GLU 49 11.359 8.989 -5.834 390 H LEU 50 H LEU 50 6.712 6.505 -4.604 391 HA LEU 50 HA LEU 50 4.783 7.051 -6.562 392 HB2 LEU 50 HB2 LEU 50 4.705 5.731 -4.345 393 HB3 LEU 50 HB3 LEU 50 4.384 7.283 -3.598 394 HG LEU 50 HG LEU 50 2.339 7.512 -4.809 395 HD11 LEU 50 2HD1 LEU 50 3.033 6.521 -6.927 396 HD12 LEU 50 1HD1 LEU 50 1.536 5.789 -6.346 397 HD13 LEU 50 3HD1 LEU 50 3.066 4.926 -6.173 398 HD21 LEU 50 3HD2 LEU 50 1.101 5.590 -3.931 399 HD22 LEU 50 2HD2 LEU 50 2.275 6.189 -2.760 400 HD23 LEU 50 1HD2 LEU 50 2.621 4.724 -3.687 401 H THR 51 H THR 51 4.470 8.951 -7.474 402 HA THR 51 HA THR 51 5.447 11.380 -6.400 403 HB THR 51 HB THR 51 4.539 12.468 -8.332 404 HG1 THR 51 HG1 THR 51 3.083 10.073 -8.915 405 HG21 THR 51 3HG2 THR 51 5.429 9.686 -9.097 406 HG22 THR 51 1HG2 THR 51 6.487 11.054 -8.759 407 HG23 THR 51 2HG2 THR 51 5.416 11.093 -10.160 408 H GLU 52 H GLU 52 4.060 13.354 -6.134 409 HA GLU 52 HA GLU 52 2.187 12.903 -4.079 410 HB2 GLU 52 HB2 GLU 52 2.611 15.393 -5.737 411 HB3 GLU 52 HB3 GLU 52 1.715 15.316 -4.227 412 HG2 GLU 52 HG2 GLU 52 3.797 14.564 -3.102 413 HG3 GLU 52 HG3 GLU 52 4.658 14.833 -4.617 414 H LYS 53 H LYS 53 1.849 13.460 -7.526 415 HA LYS 53 HA LYS 53 -0.936 13.890 -7.561 416 HB2 LYS 53 HB2 LYS 53 0.943 12.833 -9.673 417 HB3 LYS 53 HB3 LYS 53 -0.752 13.201 -9.977 418 HG2 LYS 53 HG2 LYS 53 -0.390 15.520 -9.388 419 HG3 LYS 53 HG3 LYS 53 1.289 15.180 -8.975 420 HD2 LYS 53 HD2 LYS 53 1.756 14.582 -11.285 421 HD3 LYS 53 HD3 LYS 53 0.064 14.845 -11.712 422 HE2 LYS 53 HE2 LYS 53 1.871 16.970 -10.571 423 HE3 LYS 53 HE3 LYS 53 1.587 16.737 -12.295 424 HZ1 LYS 53 HZ1 LYS 53 -0.615 17.211 -10.367 425 HZ2 LYS 53 HZ2 LYS 53 -0.662 17.317 -12.059 426 HZ3 LYS 53 HZ3 LYS 53 0.186 18.476 -11.163 427 H ASP 54 H ASP 54 0.980 10.910 -7.872 428 HA ASP 54 HA ASP 54 -1.238 9.166 -8.178 429 HB2 ASP 54 HB2 ASP 54 1.532 8.650 -7.082 430 HB3 ASP 54 HB3 ASP 54 0.338 7.387 -7.346 431 H VAL 55 H VAL 55 0.654 10.189 -5.407 432 HA VAL 55 HA VAL 55 -0.583 8.715 -3.411 433 HB VAL 55 HB VAL 55 0.793 11.390 -3.386 434 HG11 VAL 55 2HG1 VAL 55 0.851 11.180 -0.914 435 HG12 VAL 55 1HG1 VAL 55 -0.321 9.865 -1.043 436 HG13 VAL 55 3HG1 VAL 55 -0.756 11.493 -1.570 437 HG21 VAL 55 3HG2 VAL 55 2.547 10.133 -2.242 438 HG22 VAL 55 2HG2 VAL 55 2.178 9.441 -3.821 439 HG23 VAL 55 1HG2 VAL 55 1.570 8.670 -2.355 440 H ASN 56 H ASN 56 -1.412 11.939 -4.651 441 HA ASN 56 HA ASN 56 -3.468 12.368 -2.723 442 HB2 ASN 56 HB2 ASN 56 -2.650 13.808 -5.231 443 HB3 ASN 56 HB3 ASN 56 -4.074 14.296 -4.314 444 HD21 ASN 56 1HD2 ASN 56 -1.402 15.562 -4.831 445 HD22 ASN 56 2HD2 ASN 56 -0.822 15.993 -3.257 446 H ILE 57 H ILE 57 -3.403 10.496 -5.530 447 HA ILE 57 HA ILE 57 -6.248 10.656 -6.016 448 HB ILE 57 HB ILE 57 -4.177 8.682 -6.997 449 HG12 ILE 57 2HG1 ILE 57 -5.642 10.918 -8.417 450 HG13 ILE 57 3HG1 ILE 57 -3.969 10.982 -7.877 451 HG21 ILE 57 2HG2 ILE 57 -5.889 7.862 -8.533 452 HG22 ILE 57 1HG2 ILE 57 -7.074 8.943 -7.801 453 HG23 ILE 57 3HG2 ILE 57 -6.381 7.626 -6.855 454 HD11 ILE 57 3HD1 ILE 57 -5.095 9.131 -9.961 455 HD12 ILE 57 2HD1 ILE 57 -3.420 9.148 -9.407 456 HD13 ILE 57 1HD1 ILE 57 -4.086 10.548 -10.246 457 H GLY 58 H GLY 58 -3.987 8.330 -4.566 458 HA2 GLY 58 HA1 GLY 58 -5.946 6.461 -3.730 459 HA3 GLY 58 HA2 GLY 58 -4.306 6.585 -3.110 460 H GLU 59 H GLU 59 -7.064 6.205 -1.906 461 HA GLU 59 HA GLU 59 -7.322 8.520 -0.166 462 HB2 GLU 59 HB2 GLU 59 -8.906 5.939 -0.209 463 HB3 GLU 59 HB3 GLU 59 -9.345 7.426 0.625 464 HG2 GLU 59 HG2 GLU 59 -9.724 8.566 -1.414 465 HG3 GLU 59 HG3 GLU 59 -8.992 7.267 -2.353 466 H VAL 60 H VAL 60 -7.155 4.997 0.370 467 HA VAL 60 HA VAL 60 -5.892 5.487 2.960 468 HB VAL 60 HB VAL 60 -6.165 2.978 3.253 469 HG11 VAL 60 2HG1 VAL 60 -8.631 4.671 2.893 470 HG12 VAL 60 1HG1 VAL 60 -7.618 4.590 4.335 471 HG13 VAL 60 3HG1 VAL 60 -8.539 3.176 3.823 472 HG21 VAL 60 3HG2 VAL 60 -7.900 3.331 0.807 473 HG22 VAL 60 2HG2 VAL 60 -7.883 1.904 1.845 474 HG23 VAL 60 1HG2 VAL 60 -6.442 2.346 0.928 475 H VAL 61 H VAL 61 -3.967 4.545 3.566 476 HA VAL 61 HA VAL 61 -2.238 3.738 1.319 477 HB VAL 61 HB VAL 61 -1.343 5.046 3.885 478 HG11 VAL 61 2HG1 VAL 61 0.713 5.496 2.607 479 HG12 VAL 61 1HG1 VAL 61 0.047 4.584 1.252 480 HG13 VAL 61 3HG1 VAL 61 0.382 3.773 2.782 481 HG21 VAL 61 3HG2 VAL 61 -1.091 7.115 2.545 482 HG22 VAL 61 2HG2 VAL 61 -2.767 6.619 2.762 483 HG23 VAL 61 1HG2 VAL 61 -1.953 6.325 1.227 484 H ILE 62 H ILE 62 -1.297 1.800 1.459 485 HA ILE 62 HA ILE 62 -1.330 0.432 4.073 486 HB ILE 62 HB ILE 62 -1.432 -0.825 1.321 487 HG12 ILE 62 2HG1 ILE 62 -3.562 -0.674 3.468 488 HG13 ILE 62 3HG1 ILE 62 -3.541 0.296 1.998 489 HG21 ILE 62 2HG2 ILE 62 -1.789 -2.931 2.540 490 HG22 ILE 62 1HG2 ILE 62 -1.545 -2.076 4.064 491 HG23 ILE 62 3HG2 ILE 62 -0.221 -2.211 2.907 492 HD11 ILE 62 3HD1 ILE 62 -3.749 -2.703 2.124 493 HD12 ILE 62 2HD1 ILE 62 -3.742 -1.726 0.656 494 HD13 ILE 62 1HD1 ILE 62 -5.071 -1.579 1.806 495 H PHE 63 H PHE 63 0.609 0.036 4.924 496 HA PHE 63 HA PHE 63 2.922 -0.008 3.109 497 HB2 PHE 63 HB2 PHE 63 2.700 0.736 6.016 498 HB3 PHE 63 HB3 PHE 63 4.244 0.270 5.307 499 HD1 PHE 63 HD1 PHE 63 4.985 1.555 3.216 500 HD2 PHE 63 HD2 PHE 63 2.022 2.939 5.926 501 HE1 PHE 63 HE1 PHE 63 5.360 3.860 2.445 502 HE2 PHE 63 HE2 PHE 63 2.383 5.244 5.158 503 HZ PHE 63 HZ PHE 63 4.057 5.705 3.412 504 H ALA 64 H ALA 64 3.248 -2.058 2.532 505 HA ALA 64 HA ALA 64 3.449 -4.080 4.645 506 HB1 ALA 64 HB1 ALA 64 3.733 -4.343 1.646 507 HB2 ALA 64 HB2 ALA 64 3.819 -5.671 2.804 508 HB3 ALA 64 HB3 ALA 64 2.312 -4.780 2.597 509 H VAL 65 H VAL 65 5.279 -3.444 5.736 510 HA VAL 65 HA VAL 65 7.739 -3.242 4.161 511 HB VAL 65 HB VAL 65 8.407 -1.209 5.461 512 HG11 VAL 65 2HG1 VAL 65 7.099 0.366 4.115 513 HG12 VAL 65 1HG1 VAL 65 5.971 -0.929 3.709 514 HG13 VAL 65 3HG1 VAL 65 7.646 -1.017 3.164 515 HG21 VAL 65 3HG2 VAL 65 5.483 -1.148 6.205 516 HG22 VAL 65 2HG2 VAL 65 6.660 0.126 6.526 517 HG23 VAL 65 1HG2 VAL 65 6.826 -1.445 7.309 518 H ASP 66 H ASP 66 9.618 -3.530 5.233 519 HA ASP 66 HA ASP 66 9.496 -4.485 8.018 520 HB2 ASP 66 HB2 ASP 66 10.304 -6.226 6.555 521 HB3 ASP 66 HB3 ASP 66 11.410 -5.115 5.758 522 H THR 67 H THR 67 10.798 -2.271 5.737 523 HA THR 67 HA THR 67 12.384 -0.960 7.836 524 HB THR 67 HB THR 67 13.798 -1.973 6.067 525 HG1 THR 67 HG1 THR 67 14.808 -0.255 6.896 526 HG21 THR 67 3HG2 THR 67 13.791 -1.004 3.806 527 HG22 THR 67 1HG2 THR 67 12.363 -0.058 4.225 528 HG23 THR 67 2HG2 THR 67 12.273 -1.819 4.182 529 H LYS 68 H LYS 68 12.778 1.476 7.060 530 HA LYS 68 HA LYS 68 10.090 2.558 6.849 531 HB2 LYS 68 HB2 LYS 68 10.892 4.509 7.803 532 HB3 LYS 68 HB3 LYS 68 11.948 3.302 8.518 533 HG2 LYS 68 HG2 LYS 68 12.638 5.067 6.174 534 HG3 LYS 68 HG3 LYS 68 13.159 5.314 7.839 535 HD2 LYS 68 HD2 LYS 68 14.446 3.291 7.801 536 HD3 LYS 68 HD3 LYS 68 13.800 2.854 6.216 537 HE2 LYS 68 HE2 LYS 68 14.823 4.983 5.341 538 HE3 LYS 68 HE3 LYS 68 15.639 5.141 6.896 539 HZ1 LYS 68 HZ1 LYS 68 17.054 4.098 5.230 540 HZ2 LYS 68 HZ2 LYS 68 15.925 2.847 5.029 541 HZ3 LYS 68 HZ3 LYS 68 16.733 3.028 6.512 542 H VAL 69 H VAL 69 9.833 4.626 5.524 543 HA VAL 69 HA VAL 69 11.250 4.415 2.954 544 HB VAL 69 HB VAL 69 9.219 4.703 1.701 545 HG11 VAL 69 2HG1 VAL 69 8.835 2.517 3.740 546 HG12 VAL 69 1HG1 VAL 69 9.780 2.406 2.254 547 HG13 VAL 69 3HG1 VAL 69 8.031 2.622 2.175 548 HG21 VAL 69 3HG2 VAL 69 7.013 4.764 2.744 549 HG22 VAL 69 2HG2 VAL 69 8.010 6.131 3.238 550 HG23 VAL 69 1HG2 VAL 69 7.767 4.774 4.339 551 H ARG 70 H ARG 70 10.803 6.431 1.578 552 HA ARG 70 HA ARG 70 11.083 8.763 3.309 553 HB2 ARG 70 HB2 ARG 70 12.783 8.603 1.648 554 HB3 ARG 70 HB3 ARG 70 11.606 8.325 0.371 555 HG2 ARG 70 HG2 ARG 70 10.780 10.603 0.614 556 HG3 ARG 70 HG3 ARG 70 11.924 10.887 1.926 557 HD2 ARG 70 HD2 ARG 70 12.701 10.145 -0.888 558 HD3 ARG 70 HD3 ARG 70 12.656 11.794 -0.266 559 HE ARG 70 HE ARG 70 14.245 10.364 1.483 560 HH11 ARG 70 2HH1 ARG 70 14.285 11.139 -1.942 561 HH12 ARG 70 1HH1 ARG 70 16.024 11.177 -2.036 562 HH21 ARG 70 2HH2 ARG 70 16.519 10.394 1.349 563 HH22 ARG 70 1HH2 ARG 70 17.298 10.731 -0.167 564 H ASN 71 H ASN 71 9.096 7.640 0.621 565 HA ASN 71 HA ASN 71 7.720 10.067 0.228 566 HB2 ASN 71 HB2 ASN 71 6.908 7.284 -0.622 567 HB3 ASN 71 HB3 ASN 71 6.284 8.796 -1.283 568 HD21 ASN 71 1HD2 ASN 71 7.713 6.641 -2.642 569 HD22 ASN 71 2HD2 ASN 71 9.117 7.387 -3.328 570 H LYS 72 H LYS 72 7.483 7.891 2.684 571 HA LYS 72 HA LYS 72 4.903 7.717 3.552 572 HB2 LYS 72 HB2 LYS 72 6.942 6.867 4.703 573 HB3 LYS 72 HB3 LYS 72 7.292 8.501 5.231 574 HG2 LYS 72 HG2 LYS 72 5.162 8.491 6.504 575 HG3 LYS 72 HG3 LYS 72 4.946 6.797 6.045 576 HD2 LYS 72 HD2 LYS 72 7.116 6.267 7.097 577 HD3 LYS 72 HD3 LYS 72 7.259 7.948 7.606 578 HE2 LYS 72 HE2 LYS 72 6.473 6.716 9.470 579 HE3 LYS 72 HE3 LYS 72 5.109 7.648 8.857 580 HZ1 LYS 72 HZ1 LYS 72 4.618 5.292 9.449 581 HZ2 LYS 72 HZ2 LYS 72 5.586 4.810 8.145 582 HZ3 LYS 72 HZ3 LYS 72 4.187 5.725 7.874 583 H GLU 73 H GLU 73 6.885 10.568 3.336 584 HA GLU 73 HA GLU 73 5.740 12.447 4.969 585 HB2 GLU 73 HB2 GLU 73 6.382 12.958 2.063 586 HB3 GLU 73 HB3 GLU 73 6.420 14.119 3.378 587 HG2 GLU 73 HG2 GLU 73 8.421 13.290 4.216 588 HG3 GLU 73 HG3 GLU 73 8.244 11.748 3.384 589 H ARG 74 H ARG 74 4.699 11.574 1.715 590 HA ARG 74 HA ARG 74 2.610 13.377 1.411 591 HB2 ARG 74 HB2 ARG 74 3.299 10.732 0.184 592 HB3 ARG 74 HB3 ARG 74 1.845 11.597 -0.292 593 HG2 ARG 74 HG2 ARG 74 2.970 13.002 -1.541 594 HG3 ARG 74 HG3 ARG 74 4.181 13.303 -0.303 595 HD2 ARG 74 HD2 ARG 74 4.400 10.661 -1.518 596 HD3 ARG 74 HD3 ARG 74 4.595 11.976 -2.674 597 HE ARG 74 HE ARG 74 6.144 12.265 -0.254 598 HH11 ARG 74 2HH1 ARG 74 6.082 10.863 -3.458 599 HH12 ARG 74 1HH1 ARG 74 7.806 10.948 -3.674 600 HH21 ARG 74 2HH2 ARG 74 8.413 12.423 -0.529 601 HH22 ARG 74 1HH2 ARG 74 9.129 11.849 -2.015 602 H PHE 75 H PHE 75 2.656 10.240 2.970 603 HA PHE 75 HA PHE 75 -0.201 9.921 2.762 604 HB2 PHE 75 HB2 PHE 75 1.783 8.220 4.266 605 HB3 PHE 75 HB3 PHE 75 0.162 7.767 3.741 606 HD1 PHE 75 HD2 PHE 75 -0.093 8.405 1.029 607 HD2 PHE 75 HD1 PHE 75 3.415 7.160 3.081 608 HE1 PHE 75 HE2 PHE 75 0.852 7.582 -1.089 609 HE2 PHE 75 HE1 PHE 75 4.369 6.346 0.967 610 HZ PHE 75 HZ PHE 75 3.086 6.551 -1.122 611 H ASP 76 H ASP 76 1.848 11.522 4.866 612 HA ASP 76 HA ASP 76 0.688 10.975 7.377 613 HB2 ASP 76 HB2 ASP 76 2.858 12.133 7.099 614 HB3 ASP 76 HB3 ASP 76 2.015 13.531 6.439 615 H GLY 77 H GLY 77 -0.240 13.053 4.746 616 HA2 GLY 77 HA1 GLY 77 -2.185 14.534 6.269 617 HA3 GLY 77 HA2 GLY 77 -1.943 14.602 4.531 618 H LYS 78 H LYS 78 -2.188 11.429 5.017 619 HA LYS 78 HA LYS 78 -5.121 11.454 4.797 620 HB2 LYS 78 HB2 LYS 78 -3.107 9.947 3.138 621 HB3 LYS 78 HB3 LYS 78 -4.788 9.444 3.236 622 HG2 LYS 78 HG2 LYS 78 -4.948 10.749 1.409 623 HG3 LYS 78 HG3 LYS 78 -5.185 11.994 2.632 624 HD2 LYS 78 HD2 LYS 78 -3.601 12.987 1.302 625 HD3 LYS 78 HD3 LYS 78 -2.575 12.190 2.497 626 HE2 LYS 78 HE2 LYS 78 -1.906 11.919 0.065 627 HE3 LYS 78 HE3 LYS 78 -2.028 10.437 1.006 628 HZ1 LYS 78 HZ1 LYS 78 -4.144 11.509 -0.788 629 HZ2 LYS 78 HZ2 LYS 78 -4.220 10.053 0.065 630 HZ3 LYS 78 HZ3 LYS 78 -3.093 10.242 -1.183 631 H VAL 79 H VAL 79 -5.110 8.506 4.499 632 HA VAL 79 HA VAL 79 -4.772 7.915 7.363 633 HB VAL 79 HB VAL 79 -6.728 6.640 5.441 634 HG11 VAL 79 2HG1 VAL 79 -6.411 6.399 8.429 635 HG12 VAL 79 1HG1 VAL 79 -6.077 5.147 7.231 636 HG13 VAL 79 3HG1 VAL 79 -7.731 5.706 7.486 637 HG21 VAL 79 3HG2 VAL 79 -7.220 8.694 7.592 638 HG22 VAL 79 2HG2 VAL 79 -8.461 7.883 6.638 639 HG23 VAL 79 1HG2 VAL 79 -7.316 8.970 5.854 640 H VAL 80 H VAL 80 -3.456 6.289 7.902 641 HA VAL 80 HA VAL 80 -2.425 4.604 5.721 642 HB VAL 80 HB VAL 80 -0.903 5.631 8.126 643 HG11 VAL 80 2HG1 VAL 80 -0.119 3.449 7.420 644 HG12 VAL 80 1HG1 VAL 80 1.063 4.690 7.003 645 HG13 VAL 80 3HG1 VAL 80 0.016 4.013 5.755 646 HG21 VAL 80 3HG2 VAL 80 -1.358 7.409 6.522 647 HG22 VAL 80 2HG2 VAL 80 -0.697 6.420 5.221 648 HG23 VAL 80 1HG2 VAL 80 0.354 6.984 6.521 649 H LEU 81 H LEU 81 -2.323 2.457 6.047 650 HA LEU 81 HA LEU 81 -2.668 1.427 8.783 651 HB2 LEU 81 HB2 LEU 81 -4.704 1.245 7.171 652 HB3 LEU 81 HB3 LEU 81 -3.770 0.002 6.368 653 HG LEU 81 HG LEU 81 -5.455 -0.876 7.969 654 HD11 LEU 81 2HD1 LEU 81 -3.977 -2.468 9.104 655 HD12 LEU 81 1HD1 LEU 81 -2.586 -1.477 8.661 656 HD13 LEU 81 3HD1 LEU 81 -3.551 -2.254 7.406 657 HD21 LEU 81 3HD2 LEU 81 -5.040 -0.682 10.366 658 HD22 LEU 81 2HD2 LEU 81 -5.333 0.895 9.633 659 HD23 LEU 81 1HD2 LEU 81 -3.689 0.406 10.046 660 H GLU 82 H GLU 82 -0.623 0.803 9.202 661 HA GLU 82 HA GLU 82 0.998 -0.436 7.133 662 HB2 GLU 82 HB2 GLU 82 1.674 0.367 9.967 663 HB3 GLU 82 HB3 GLU 82 2.817 -0.224 8.776 664 HG2 GLU 82 HG2 GLU 82 2.379 1.714 7.372 665 HG3 GLU 82 HG3 GLU 82 1.210 2.304 8.553 666 H VAL 83 H VAL 83 1.773 -2.495 7.203 667 HA VAL 83 HA VAL 83 1.012 -4.222 9.447 668 HB VAL 83 HB VAL 83 0.311 -6.008 7.830 669 HG11 VAL 83 2HG1 VAL 83 -1.356 -3.498 7.788 670 HG12 VAL 83 1HG1 VAL 83 -1.352 -4.721 9.058 671 HG13 VAL 83 3HG1 VAL 83 -1.935 -5.127 7.442 672 HG21 VAL 83 3HG2 VAL 83 1.374 -5.137 5.824 673 HG22 VAL 83 2HG2 VAL 83 0.305 -3.734 5.848 674 HG23 VAL 83 1HG2 VAL 83 -0.358 -5.343 5.568 675 HA PRO 84 HA PRO 84 4.980 -6.251 8.721 676 HB2 PRO 84 HB2 PRO 84 3.498 -8.823 8.782 677 HB3 PRO 84 HB3 PRO 84 4.877 -8.299 9.755 678 HG2 PRO 84 HG2 PRO 84 2.432 -8.443 10.813 679 HG3 PRO 84 HG3 PRO 84 3.549 -7.140 11.256 680 HD2 PRO 84 HD2 PRO 84 1.192 -7.074 9.417 681 HD3 PRO 84 HD3 PRO 84 1.759 -5.849 10.572 682 H VAL 85 H VAL 85 6.072 -7.209 6.952 683 HA VAL 85 HA VAL 85 4.817 -6.701 4.481 684 HB VAL 85 HB VAL 85 7.256 -6.471 4.892 685 HG11 VAL 85 2HG1 VAL 85 7.652 -8.513 6.132 686 HG12 VAL 85 1HG1 VAL 85 8.698 -8.445 4.714 687 HG13 VAL 85 3HG1 VAL 85 7.270 -9.479 4.708 688 HG21 VAL 85 3HG2 VAL 85 7.966 -7.398 2.671 689 HG22 VAL 85 2HG2 VAL 85 6.515 -6.396 2.630 690 HG23 VAL 85 1HG2 VAL 85 6.379 -8.154 2.552 691 H SER 86 H SER 86 5.157 -9.649 6.323 692 HA SER 86 HA SER 86 4.559 -11.415 4.156 693 HB2 SER 86 HB2 SER 86 4.218 -13.083 6.045 694 HB3 SER 86 HB3 SER 86 5.810 -12.335 5.950 695 HG SER 86 HG SER 86 4.262 -12.408 8.028 696 H ALA 87 H ALA 87 2.660 -9.480 6.261 697 HA ALA 87 HA ALA 87 0.377 -11.086 6.538 698 HB1 ALA 87 HB1 ALA 87 0.867 -9.151 7.967 699 HB2 ALA 87 HB2 ALA 87 0.499 -8.081 6.615 700 HB3 ALA 87 HB3 ALA 87 -0.764 -9.103 7.298 701 HA PRO 88 HA PRO 88 -1.666 -8.585 2.915 702 HB2 PRO 88 HB2 PRO 88 0.002 -7.492 1.061 703 HB3 PRO 88 HB3 PRO 88 -0.616 -6.605 2.459 704 HG2 PRO 88 HG2 PRO 88 2.026 -7.963 2.095 705 HG3 PRO 88 HG3 PRO 88 1.676 -6.365 2.783 706 HD2 PRO 88 HD2 PRO 88 2.169 -8.488 4.342 707 HD3 PRO 88 HD3 PRO 88 0.986 -7.248 4.807 708 H ILE 89 H ILE 89 0.918 -10.757 2.762 709 HA ILE 89 HA ILE 89 0.472 -11.608 0.043 710 HB ILE 89 HB ILE 89 2.050 -12.873 2.291 711 HG12 ILE 89 2HG1 ILE 89 2.910 -11.307 -0.154 712 HG13 ILE 89 3HG1 ILE 89 2.943 -10.728 1.507 713 HG21 ILE 89 2HG2 ILE 89 3.046 -14.306 0.566 714 HG22 ILE 89 1HG2 ILE 89 1.929 -13.638 -0.625 715 HG23 ILE 89 3HG2 ILE 89 1.312 -14.584 0.729 716 HD11 ILE 89 3HD1 ILE 89 4.606 -12.432 2.061 717 HD12 ILE 89 2HD1 ILE 89 5.155 -11.370 0.762 718 HD13 ILE 89 1HD1 ILE 89 4.576 -12.995 0.390 719 H LYS 90 H LYS 90 -0.385 -12.704 3.288 720 HA LYS 90 HA LYS 90 -1.935 -14.930 2.182 721 HB2 LYS 90 HB2 LYS 90 -1.254 -14.182 5.030 722 HB3 LYS 90 HB3 LYS 90 -2.202 -15.589 4.569 723 HG2 LYS 90 HG2 LYS 90 0.640 -15.090 3.721 724 HG3 LYS 90 HG3 LYS 90 0.155 -16.094 5.089 725 HD2 LYS 90 HD2 LYS 90 -1.256 -17.401 3.416 726 HD3 LYS 90 HD3 LYS 90 -0.349 -16.550 2.163 727 HE2 LYS 90 HE2 LYS 90 0.653 -18.719 2.634 728 HE3 LYS 90 HE3 LYS 90 1.741 -17.408 3.091 729 HZ1 LYS 90 HZ1 LYS 90 1.654 -19.161 4.771 730 HZ2 LYS 90 HZ2 LYS 90 -0.013 -18.903 4.969 731 HZ3 LYS 90 HZ3 LYS 90 1.089 -17.684 5.389 732 H ASP 91 H ASP 91 -2.364 -11.775 3.482 733 HA ASP 91 HA ASP 91 -5.224 -12.315 3.983 734 HB2 ASP 91 HB2 ASP 91 -3.632 -12.017 5.993 735 HB3 ASP 91 HB3 ASP 91 -3.578 -10.323 5.532 736 H ALA 92 H ALA 92 -3.931 -11.219 1.576 737 HA ALA 92 HA ALA 92 -3.739 -8.463 1.449 738 HB1 ALA 92 HB1 ALA 92 -4.683 -10.267 -0.775 739 HB2 ALA 92 HB2 ALA 92 -3.956 -8.670 -0.948 740 HB3 ALA 92 HB3 ALA 92 -2.997 -10.012 -0.321 741 H GLU 93 H GLU 93 -6.592 -10.426 0.582 742 HA GLU 93 HA GLU 93 -8.213 -8.230 -0.087 743 HB2 GLU 93 HB2 GLU 93 -8.893 -11.042 0.749 744 HB3 GLU 93 HB3 GLU 93 -10.118 -9.870 0.292 745 HG2 GLU 93 HG2 GLU 93 -9.676 -11.228 -1.598 746 HG3 GLU 93 HG3 GLU 93 -8.983 -9.641 -1.909 747 H LYS 94 H LYS 94 -7.623 -9.852 2.974 748 HA LYS 94 HA LYS 94 -9.855 -8.645 4.305 749 HB2 LYS 94 HB2 LYS 94 -8.990 -10.802 5.022 750 HB3 LYS 94 HB3 LYS 94 -7.423 -10.090 5.370 751 HG2 LYS 94 HG2 LYS 94 -8.672 -10.493 7.402 752 HG3 LYS 94 HG3 LYS 94 -8.415 -8.766 7.159 753 HD2 LYS 94 HD2 LYS 94 -10.680 -8.501 6.367 754 HD3 LYS 94 HD3 LYS 94 -10.945 -10.245 6.446 755 HE2 LYS 94 HE2 LYS 94 -11.932 -9.102 8.371 756 HE3 LYS 94 HE3 LYS 94 -10.644 -10.200 8.861 757 HZ1 LYS 94 HZ1 LYS 94 -9.148 -8.221 8.902 758 HZ2 LYS 94 HZ2 LYS 94 -10.377 -8.194 10.066 759 HZ3 LYS 94 HZ3 LYS 94 -10.511 -7.239 8.669 760 H VAL 95 H VAL 95 -6.389 -8.030 4.091 761 HA VAL 95 HA VAL 95 -6.241 -5.886 5.900 762 HB VAL 95 HB VAL 95 -4.590 -6.388 3.412 763 HG11 VAL 95 2HG1 VAL 95 -2.902 -4.956 4.443 764 HG12 VAL 95 1HG1 VAL 95 -3.999 -4.616 5.781 765 HG13 VAL 95 3HG1 VAL 95 -4.396 -4.068 4.153 766 HG21 VAL 95 3HG2 VAL 95 -4.112 -7.119 6.298 767 HG22 VAL 95 2HG2 VAL 95 -2.960 -7.350 4.981 768 HG23 VAL 95 1HG2 VAL 95 -4.490 -8.232 4.980 769 H ILE 96 H ILE 96 -6.941 -5.974 2.430 770 HA ILE 96 HA ILE 96 -7.068 -3.185 2.042 771 HB ILE 96 HB ILE 96 -8.321 -5.460 0.501 772 HG12 ILE 96 2HG1 ILE 96 -5.919 -3.698 -0.038 773 HG13 ILE 96 3HG1 ILE 96 -5.854 -5.351 0.560 774 HG21 ILE 96 2HG2 ILE 96 -8.147 -2.546 -0.277 775 HG22 ILE 96 1HG2 ILE 96 -9.623 -3.418 0.135 776 HG23 ILE 96 3HG2 ILE 96 -8.712 -3.861 -1.309 777 HD11 ILE 96 3HD1 ILE 96 -6.802 -6.165 -1.506 778 HD12 ILE 96 2HD1 ILE 96 -5.369 -5.191 -1.830 779 HD13 ILE 96 1HD1 ILE 96 -6.975 -4.514 -2.102 780 H ASN 97 H ASN 97 -9.596 -5.572 2.808 781 HA ASN 97 HA ASN 97 -11.718 -3.685 2.844 782 HB2 ASN 97 HB2 ASN 97 -11.390 -6.462 3.930 783 HB3 ASN 97 HB3 ASN 97 -12.806 -5.510 4.361 784 HD21 ASN 97 1HD2 ASN 97 -11.169 -7.243 1.863 785 HD22 ASN 97 2HD2 ASN 97 -12.451 -7.182 0.702 786 H ALA 98 H ALA 98 -9.352 -4.692 5.197 787 HA ALA 98 HA ALA 98 -10.566 -3.476 7.462 788 HB1 ALA 98 HB1 ALA 98 -7.650 -4.077 6.976 789 HB2 ALA 98 HB2 ALA 98 -8.404 -3.743 8.536 790 HB3 ALA 98 HB3 ALA 98 -8.830 -5.204 7.644 791 H ALA 99 H ALA 99 -8.113 -2.410 5.126 792 HA ALA 99 HA ALA 99 -7.606 0.128 6.193 793 HB1 ALA 99 HB1 ALA 99 -6.813 0.727 3.956 794 HB2 ALA 99 HB2 ALA 99 -6.235 -0.871 4.430 795 HB3 ALA 99 HB3 ALA 99 -7.576 -0.717 3.293 796 H LEU 100 H LEU 100 -10.140 -1.026 4.032 797 HA LEU 100 HA LEU 100 -11.288 1.450 3.372 798 HB2 LEU 100 HB2 LEU 100 -12.601 -1.256 3.628 799 HB3 LEU 100 HB3 LEU 100 -13.328 0.143 2.863 800 HG LEU 100 HG LEU 100 -10.849 -1.298 1.918 801 HD11 LEU 100 2HD1 LEU 100 -12.863 -2.590 1.536 802 HD12 LEU 100 1HD1 LEU 100 -12.257 -1.943 0.012 803 HD13 LEU 100 3HD1 LEU 100 -13.646 -1.194 0.799 804 HD21 LEU 100 3HD2 LEU 100 -10.744 1.092 1.441 805 HD22 LEU 100 2HD2 LEU 100 -12.342 1.022 0.699 806 HD23 LEU 100 1HD2 LEU 100 -10.990 0.161 -0.037 807 H ALA 101 H ALA 101 -11.512 -0.509 6.240 808 HA ALA 101 HA ALA 101 -13.906 0.582 7.286 809 HB1 ALA 101 HB1 ALA 101 -12.990 -1.534 8.077 810 HB2 ALA 101 HB2 ALA 101 -11.598 -0.688 8.755 811 HB3 ALA 101 HB3 ALA 101 -13.211 -0.401 9.409 812 H LEU 102 H LEU 102 -10.780 1.887 6.961 813 HA LEU 102 HA LEU 102 -11.005 3.701 9.198 814 HB2 LEU 102 HB2 LEU 102 -8.988 3.318 7.016 815 HB3 LEU 102 HB3 LEU 102 -8.952 4.753 8.019 816 HG LEU 102 HG LEU 102 -7.375 3.159 8.880 817 HD11 LEU 102 2HD1 LEU 102 -8.167 2.915 11.165 818 HD12 LEU 102 1HD1 LEU 102 -9.817 3.249 10.639 819 HD13 LEU 102 3HD1 LEU 102 -8.582 4.501 10.513 820 HD21 LEU 102 3HD2 LEU 102 -8.065 0.952 9.700 821 HD22 LEU 102 2HD2 LEU 102 -8.306 1.116 7.961 822 HD23 LEU 102 1HD2 LEU 102 -9.684 1.228 9.054 823 H ILE 103 H ILE 103 -11.701 3.767 5.766 824 HA ILE 103 HA ILE 103 -12.276 6.648 5.969 825 HB ILE 103 HB ILE 103 -12.346 6.613 3.461 826 HG12 ILE 103 2HG1 ILE 103 -11.022 3.911 3.786 827 HG13 ILE 103 3HG1 ILE 103 -12.690 4.136 3.274 828 HG21 ILE 103 2HG2 ILE 103 -9.762 5.843 4.806 829 HG22 ILE 103 1HG2 ILE 103 -10.435 7.469 4.672 830 HG23 ILE 103 3HG2 ILE 103 -9.899 6.613 3.225 831 HD11 ILE 103 3HD1 ILE 103 -11.939 5.321 1.296 832 HD12 ILE 103 2HD1 ILE 103 -11.204 3.721 1.391 833 HD13 ILE 103 1HD1 ILE 103 -10.263 5.151 1.816 834 H ASP 104 H ASP 104 -13.638 3.578 4.877 835 HA ASP 104 HA ASP 104 -16.215 4.767 4.322 836 HB2 ASP 104 HB2 ASP 104 -15.109 1.974 4.224 837 HB3 ASP 104 HB3 ASP 104 -16.846 2.246 4.145 838 H GLU 105 H GLU 105 -14.613 3.021 6.856 839 HA GLU 105 HA GLU 105 -15.127 2.539 9.005 840 HB2 GLU 105 HB2 GLU 105 -17.325 4.565 8.550 841 HB3 GLU 105 HB3 GLU 105 -16.923 3.879 10.118 842 HG2 GLU 105 HG2 GLU 105 -14.686 4.832 9.978 843 HG3 GLU 105 HG3 GLU 105 -15.065 5.494 8.389 844 H LYS 106 H LYS 106 -16.565 1.295 6.592 845 HA LYS 106 HA LYS 106 -18.809 0.072 8.036 846 HB2 LYS 106 HB2 LYS 106 -18.252 0.242 5.069 847 HB3 LYS 106 HB3 LYS 106 -19.610 -0.617 5.783 848 HG2 LYS 106 HG2 LYS 106 -20.584 1.394 6.569 849 HG3 LYS 106 HG3 LYS 106 -19.127 2.319 6.199 850 HD2 LYS 106 HD2 LYS 106 -20.934 0.979 4.183 851 HD3 LYS 106 HD3 LYS 106 -20.875 2.709 4.532 852 HE2 LYS 106 HE2 LYS 106 -18.456 2.662 3.882 853 HE3 LYS 106 HE3 LYS 106 -18.695 1.001 3.347 854 HZ1 LYS 106 HZ1 LYS 106 -18.859 2.544 1.508 855 HZ2 LYS 106 HZ2 LYS 106 -20.105 3.388 2.286 856 HZ3 LYS 106 HZ3 LYS 106 -20.356 1.792 1.775 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -13.404 -1.244 -6.569 2 H2 MET 1 H2 MET 1 -14.678 -1.282 -7.688 3 H3 MET 1 H3 MET 1 -14.904 -1.892 -6.126 4 HA MET 1 HA MET 1 -15.947 0.257 -6.336 5 HB2 MET 1 HB2 MET 1 -14.934 -0.459 -4.178 6 HB3 MET 1 HB3 MET 1 -13.446 0.358 -4.634 7 HG2 MET 1 HG2 MET 1 -14.710 2.488 -4.733 8 HG3 MET 1 HG3 MET 1 -16.122 1.630 -4.120 9 HE1 MET 1 HE1 MET 1 -14.730 -0.413 -2.056 10 HE2 MET 1 HE2 MET 1 -14.879 0.510 -0.562 11 HE3 MET 1 HE3 MET 1 -16.214 0.477 -1.718 12 H LYS 2 H LYS 2 -12.790 0.050 -7.674 13 HA LYS 2 HA LYS 2 -11.498 1.424 -8.915 14 HB2 LYS 2 HB2 LYS 2 -14.187 2.703 -9.361 15 HB3 LYS 2 HB3 LYS 2 -12.732 3.265 -10.173 16 HG2 LYS 2 HG2 LYS 2 -13.885 0.490 -10.347 17 HG3 LYS 2 HG3 LYS 2 -14.006 1.746 -11.581 18 HD2 LYS 2 HD2 LYS 2 -11.554 1.768 -11.774 19 HD3 LYS 2 HD3 LYS 2 -11.458 0.483 -10.570 20 HE2 LYS 2 HE2 LYS 2 -11.256 -0.398 -12.842 21 HE3 LYS 2 HE3 LYS 2 -12.703 -1.006 -12.038 22 HZ1 LYS 2 HZ1 LYS 2 -12.672 1.282 -13.935 23 HZ2 LYS 2 HZ2 LYS 2 -14.041 0.549 -13.251 24 HZ3 LYS 2 HZ3 LYS 2 -13.087 -0.309 -14.358 25 H ARG 3 H ARG 3 -11.640 1.948 -6.121 26 HA ARG 3 HA ARG 3 -11.374 4.851 -5.933 27 HB2 ARG 3 HB2 ARG 3 -12.537 3.249 -4.199 28 HB3 ARG 3 HB3 ARG 3 -10.889 2.955 -3.659 29 HG2 ARG 3 HG2 ARG 3 -11.857 4.661 -2.294 30 HG3 ARG 3 HG3 ARG 3 -10.616 5.391 -3.314 31 HD2 ARG 3 HD2 ARG 3 -12.293 6.257 -4.815 32 HD3 ARG 3 HD3 ARG 3 -13.569 5.417 -3.935 33 HE ARG 3 HE ARG 3 -12.121 7.177 -2.228 34 HH11 ARG 3 2HH1 ARG 3 -14.537 7.179 -4.758 35 HH12 ARG 3 1HH1 ARG 3 -15.329 8.606 -4.170 36 HH21 ARG 3 2HH2 ARG 3 -13.121 9.066 -1.473 37 HH22 ARG 3 1HH2 ARG 3 -14.523 9.692 -2.306 38 H LYS 4 H LYS 4 -9.387 5.838 -5.362 39 HA LYS 4 HA LYS 4 -7.078 4.354 -6.276 40 HB2 LYS 4 HB2 LYS 4 -7.367 7.209 -5.335 41 HB3 LYS 4 HB3 LYS 4 -5.877 6.509 -5.954 42 HG2 LYS 4 HG2 LYS 4 -8.454 6.812 -7.479 43 HG3 LYS 4 HG3 LYS 4 -7.014 7.815 -7.659 44 HD2 LYS 4 HD2 LYS 4 -7.116 4.842 -8.159 45 HD3 LYS 4 HD3 LYS 4 -7.232 6.078 -9.412 46 HE2 LYS 4 HE2 LYS 4 -4.897 5.773 -7.528 47 HE3 LYS 4 HE3 LYS 4 -4.958 5.091 -9.153 48 HZ1 LYS 4 HZ1 LYS 4 -3.778 7.171 -9.180 49 HZ2 LYS 4 HZ2 LYS 4 -5.087 7.973 -8.461 50 HZ3 LYS 4 HZ3 LYS 4 -5.241 7.344 -10.025 51 H ILE 5 H ILE 5 -5.764 3.256 -5.037 52 HA ILE 5 HA ILE 5 -5.523 4.019 -2.196 53 HB ILE 5 HB ILE 5 -5.329 1.233 -3.373 54 HG12 ILE 5 2HG1 ILE 5 -7.368 2.438 -1.491 55 HG13 ILE 5 3HG1 ILE 5 -7.643 2.045 -3.185 56 HG21 ILE 5 2HG2 ILE 5 -5.047 2.132 -0.507 57 HG22 ILE 5 1HG2 ILE 5 -3.740 1.563 -1.544 58 HG23 ILE 5 3HG2 ILE 5 -5.036 0.463 -1.074 59 HD11 ILE 5 3HD1 ILE 5 -7.266 -0.326 -2.675 60 HD12 ILE 5 2HD1 ILE 5 -8.601 0.355 -1.745 61 HD13 ILE 5 1HD1 ILE 5 -7.037 0.087 -0.975 62 H ILE 6 H ILE 6 -3.498 4.480 -1.522 63 HA ILE 6 HA ILE 6 -1.288 3.742 -3.307 64 HB ILE 6 HB ILE 6 0.098 5.408 -2.104 65 HG12 ILE 6 2HG1 ILE 6 -1.383 5.460 -0.018 66 HG13 ILE 6 3HG1 ILE 6 -0.764 7.007 -0.586 67 HG21 ILE 6 2HG2 ILE 6 -0.895 7.384 -3.172 68 HG22 ILE 6 1HG2 ILE 6 -2.383 6.474 -3.431 69 HG23 ILE 6 3HG2 ILE 6 -0.890 5.968 -4.222 70 HD11 ILE 6 3HD1 ILE 6 -2.937 7.450 -1.653 71 HD12 ILE 6 2HD1 ILE 6 -3.072 7.215 0.091 72 HD13 ILE 6 1HD1 ILE 6 -3.543 5.922 -1.013 73 H ALA 7 H ALA 7 0.136 2.274 -2.685 74 HA ALA 7 HA ALA 7 0.263 1.558 0.157 75 HB1 ALA 7 HB1 ALA 7 0.138 -0.808 -0.381 76 HB2 ALA 7 HB2 ALA 7 -1.316 0.025 -0.931 77 HB3 ALA 7 HB3 ALA 7 -0.066 -0.427 -2.090 78 H VAL 8 H VAL 8 2.259 0.904 0.853 79 HA VAL 8 HA VAL 8 4.375 0.766 -1.195 80 HB VAL 8 HB VAL 8 4.666 2.015 1.545 81 HG11 VAL 8 2HG1 VAL 8 6.618 1.830 -0.747 82 HG12 VAL 8 1HG1 VAL 8 6.707 0.925 0.764 83 HG13 VAL 8 3HG1 VAL 8 6.887 2.680 0.775 84 HG21 VAL 8 3HG2 VAL 8 4.924 4.138 0.370 85 HG22 VAL 8 2HG2 VAL 8 3.343 3.426 0.048 86 HG23 VAL 8 1HG2 VAL 8 4.617 3.333 -1.168 87 H THR 9 H THR 9 5.421 -1.071 -1.200 88 HA THR 9 HA THR 9 5.553 -2.681 1.261 89 HB THR 9 HB THR 9 6.239 -4.538 -0.308 90 HG1 THR 9 HG1 THR 9 6.751 -2.903 -2.022 91 HG21 THR 9 3HG2 THR 9 3.536 -3.294 -0.830 92 HG22 THR 9 1HG2 THR 9 3.938 -4.337 0.534 93 HG23 THR 9 2HG2 THR 9 3.974 -4.980 -1.109 94 H ALA 10 H ALA 10 7.419 -2.441 2.329 95 HA ALA 10 HA ALA 10 9.864 -1.933 0.772 96 HB1 ALA 10 HB1 ALA 10 9.026 0.210 1.626 97 HB2 ALA 10 HB2 ALA 10 9.093 -0.429 3.268 98 HB3 ALA 10 HB3 ALA 10 10.577 -0.229 2.340 99 H CYS 11 H CYS 11 10.782 -3.890 1.098 100 HA CYS 11 HA CYS 11 11.212 -4.720 3.887 101 HB2 CYS 11 HB2 CYS 11 9.904 -6.329 2.546 102 HB3 CYS 11 HB3 CYS 11 11.214 -6.413 1.376 103 HG CYS 11 HG CYS 11 12.340 -8.406 2.484 104 H ALA 12 H ALA 12 13.263 -4.821 4.616 105 HA ALA 12 HA ALA 12 15.359 -3.973 2.766 106 HB1 ALA 12 HB1 ALA 12 15.423 -4.232 5.770 107 HB2 ALA 12 HB2 ALA 12 16.687 -3.532 4.758 108 HB3 ALA 12 HB3 ALA 12 15.111 -2.748 4.870 109 H THR 13 H THR 13 14.977 -6.400 5.354 110 HA THR 13 HA THR 13 16.990 -8.038 4.001 111 HB THR 13 HB THR 13 16.746 -9.467 6.119 112 HG1 THR 13 HG1 THR 13 14.811 -8.494 6.898 113 HG21 THR 13 3HG2 THR 13 18.671 -8.012 5.654 114 HG22 THR 13 1HG2 THR 13 18.272 -8.032 7.373 115 HG23 THR 13 2HG2 THR 13 17.812 -6.651 6.375 116 H GLY 14 H GLY 14 16.147 -9.276 2.470 117 HA2 GLY 14 HA1 GLY 14 14.899 -11.339 2.056 118 HA3 GLY 14 HA2 GLY 14 13.611 -10.670 3.049 119 H VAL 15 H VAL 15 15.493 -9.993 0.136 120 HA VAL 15 HA VAL 15 13.787 -8.022 -0.897 121 HB VAL 15 HB VAL 15 14.951 -8.386 -3.040 122 HG11 VAL 15 2HG1 VAL 15 15.936 -6.926 -1.391 123 HG12 VAL 15 1HG1 VAL 15 17.204 -7.828 -2.222 124 HG13 VAL 15 3HG1 VAL 15 16.707 -8.301 -0.598 125 HG21 VAL 15 3HG2 VAL 15 16.294 -10.658 -1.586 126 HG22 VAL 15 2HG2 VAL 15 16.770 -10.025 -3.163 127 HG23 VAL 15 1HG2 VAL 15 15.199 -10.801 -2.963 128 H ALA 16 H ALA 16 13.421 -11.448 -0.871 129 HA ALA 16 HA ALA 16 11.736 -11.637 -3.171 130 HB1 ALA 16 HB1 ALA 16 12.899 -13.589 -2.238 131 HB2 ALA 16 HB2 ALA 16 11.893 -13.487 -0.793 132 HB3 ALA 16 HB3 ALA 16 11.158 -13.850 -2.355 133 H HIS 17 H HIS 17 11.238 -10.987 0.237 134 HA HIS 17 HA HIS 17 8.412 -11.166 0.251 135 HB2 HIS 17 HB2 HIS 17 10.290 -9.556 1.993 136 HB3 HIS 17 HB3 HIS 17 8.559 -9.666 2.271 137 HD1 HIS 17 HD1 HIS 17 7.661 -12.142 2.862 138 HD2 HIS 17 HD2 HIS 17 11.764 -11.548 3.091 139 HE1 HIS 17 HE1 HIS 17 8.537 -14.038 4.261 140 HE2 HIS 17 HE2 HIS 17 10.986 -13.517 4.567 141 H THR 18 H THR 18 10.671 -8.582 -0.477 142 HA THR 18 HA THR 18 8.979 -6.389 -0.487 143 HB THR 18 HB THR 18 11.181 -6.685 -2.513 144 HG1 THR 18 HG1 THR 18 12.585 -6.048 -0.695 145 HG21 THR 18 3HG2 THR 18 9.975 -4.577 -2.494 146 HG22 THR 18 1HG2 THR 18 11.605 -4.331 -1.869 147 HG23 THR 18 2HG2 THR 18 10.236 -4.413 -0.760 148 H TYR 19 H TYR 19 9.832 -8.538 -3.197 149 HA TYR 19 HA TYR 19 8.094 -7.107 -4.985 150 HB2 TYR 19 HB2 TYR 19 9.922 -9.458 -5.266 151 HB3 TYR 19 HB3 TYR 19 8.734 -9.120 -6.521 152 HD1 TYR 19 HD2 TYR 19 11.717 -7.809 -4.781 153 HD2 TYR 19 HD1 TYR 19 8.993 -7.278 -8.009 154 HE1 TYR 19 HE2 TYR 19 13.218 -6.123 -5.766 155 HE2 TYR 19 HE1 TYR 19 10.480 -5.594 -9.000 156 HH TYR 19 HH TYR 19 12.242 -4.088 -8.356 157 H MET 20 H MET 20 7.916 -10.145 -3.184 158 HA MET 20 HA MET 20 5.679 -11.148 -4.620 159 HB2 MET 20 HB2 MET 20 7.118 -12.624 -3.291 160 HB3 MET 20 HB3 MET 20 6.585 -11.821 -1.818 161 HG2 MET 20 HG2 MET 20 5.438 -13.945 -2.156 162 HG3 MET 20 HG3 MET 20 4.315 -12.584 -2.189 163 HE1 MET 20 HE1 MET 20 2.656 -15.027 -4.739 164 HE2 MET 20 HE2 MET 20 3.479 -15.448 -3.236 165 HE3 MET 20 HE3 MET 20 2.423 -14.037 -3.297 166 H ALA 21 H ALA 21 5.985 -9.274 -1.633 167 HA ALA 21 HA ALA 21 3.287 -9.327 -0.865 168 HB1 ALA 21 HB1 ALA 21 5.123 -8.569 0.594 169 HB2 ALA 21 HB2 ALA 21 5.286 -7.117 -0.392 170 HB3 ALA 21 HB3 ALA 21 3.802 -7.404 0.517 171 H ALA 22 H ALA 22 5.080 -7.078 -2.918 172 HA ALA 22 HA ALA 22 3.016 -5.225 -3.356 173 HB1 ALA 22 HB1 ALA 22 5.321 -5.965 -5.162 174 HB2 ALA 22 HB2 ALA 22 4.331 -4.511 -5.297 175 HB3 ALA 22 HB3 ALA 22 5.352 -4.754 -3.880 176 H GLN 23 H GLN 23 3.934 -8.158 -5.117 177 HA GLN 23 HA GLN 23 2.116 -7.818 -7.258 178 HB2 GLN 23 HB2 GLN 23 3.443 -10.297 -6.161 179 HB3 GLN 23 HB3 GLN 23 2.494 -10.266 -7.641 180 HG2 GLN 23 HG2 GLN 23 4.046 -8.761 -8.673 181 HG3 GLN 23 HG3 GLN 23 4.948 -8.591 -7.166 182 HE21 GLN 23 1HE2 GLN 23 6.250 -10.275 -6.469 183 HE22 GLN 23 2HE2 GLN 23 6.729 -11.574 -7.513 184 H ALA 24 H ALA 24 1.917 -9.751 -4.270 185 HA ALA 24 HA ALA 24 -0.631 -10.850 -4.833 186 HB1 ALA 24 HB1 ALA 24 0.691 -10.460 -2.151 187 HB2 ALA 24 HB2 ALA 24 -0.651 -11.546 -2.506 188 HB3 ALA 24 HB3 ALA 24 0.933 -11.840 -3.222 189 H LEU 25 H LEU 25 0.399 -8.045 -2.949 190 HA LEU 25 HA LEU 25 -2.116 -7.260 -1.973 191 HB2 LEU 25 HB2 LEU 25 -0.030 -6.386 -1.103 192 HB3 LEU 25 HB3 LEU 25 0.343 -5.648 -2.646 193 HG LEU 25 HG LEU 25 -1.602 -4.132 -2.348 194 HD11 LEU 25 2HD1 LEU 25 -1.714 -5.347 0.412 195 HD12 LEU 25 1HD1 LEU 25 -2.935 -5.527 -0.846 196 HD13 LEU 25 3HD1 LEU 25 -2.626 -3.941 -0.139 197 HD21 LEU 25 3HD2 LEU 25 0.394 -4.072 -0.090 198 HD22 LEU 25 2HD2 LEU 25 -0.506 -2.701 -0.741 199 HD23 LEU 25 1HD2 LEU 25 0.708 -3.515 -1.735 200 H LYS 26 H LYS 26 -0.368 -6.302 -4.903 201 HA LYS 26 HA LYS 26 -2.270 -4.441 -5.836 202 HB2 LYS 26 HB2 LYS 26 0.085 -4.554 -6.570 203 HB3 LYS 26 HB3 LYS 26 -0.253 -6.064 -7.394 204 HG2 LYS 26 HG2 LYS 26 -1.647 -4.976 -8.983 205 HG3 LYS 26 HG3 LYS 26 -1.610 -3.465 -8.064 206 HD2 LYS 26 HD2 LYS 26 0.768 -3.236 -8.476 207 HD3 LYS 26 HD3 LYS 26 0.800 -4.790 -9.311 208 HE2 LYS 26 HE2 LYS 26 -0.795 -2.390 -10.199 209 HE3 LYS 26 HE3 LYS 26 0.788 -2.835 -10.837 210 HZ1 LYS 26 HZ1 LYS 26 -1.809 -4.136 -11.233 211 HZ2 LYS 26 HZ2 LYS 26 -0.413 -5.096 -11.263 212 HZ3 LYS 26 HZ3 LYS 26 -0.579 -3.810 -12.353 213 H LYS 27 H LYS 27 -1.806 -7.889 -6.452 214 HA LYS 27 HA LYS 27 -3.871 -8.151 -8.365 215 HB2 LYS 27 HB2 LYS 27 -2.097 -9.909 -6.872 216 HB3 LYS 27 HB3 LYS 27 -3.686 -10.615 -7.129 217 HG2 LYS 27 HG2 LYS 27 -1.971 -9.474 -9.324 218 HG3 LYS 27 HG3 LYS 27 -2.019 -11.181 -8.879 219 HD2 LYS 27 HD2 LYS 27 -4.463 -11.172 -9.325 220 HD3 LYS 27 HD3 LYS 27 -4.315 -9.508 -9.891 221 HE2 LYS 27 HE2 LYS 27 -2.908 -10.171 -11.699 222 HE3 LYS 27 HE3 LYS 27 -2.766 -11.809 -11.061 223 HZ1 LYS 27 HZ1 LYS 27 -4.321 -11.791 -12.863 224 HZ2 LYS 27 HZ2 LYS 27 -5.223 -10.542 -12.153 225 HZ3 LYS 27 HZ3 LYS 27 -5.169 -12.072 -11.422 226 H GLY 28 H GLY 28 -3.799 -8.402 -4.850 227 HA2 GLY 28 HA1 GLY 28 -6.414 -9.426 -4.512 228 HA3 GLY 28 HA2 GLY 28 -5.482 -8.563 -3.298 229 H ALA 29 H ALA 29 -5.159 -6.138 -4.728 230 HA ALA 29 HA ALA 29 -7.629 -4.875 -4.078 231 HB1 ALA 29 HB1 ALA 29 -5.236 -3.768 -5.538 232 HB2 ALA 29 HB2 ALA 29 -6.563 -2.824 -4.861 233 HB3 ALA 29 HB3 ALA 29 -5.494 -3.737 -3.795 234 H LYS 30 H LYS 30 -6.053 -5.785 -7.093 235 HA LYS 30 HA LYS 30 -7.950 -4.505 -8.778 236 HB2 LYS 30 HB2 LYS 30 -5.621 -5.183 -9.445 237 HB3 LYS 30 HB3 LYS 30 -6.182 -6.849 -9.485 238 HG2 LYS 30 HG2 LYS 30 -7.646 -6.417 -11.283 239 HG3 LYS 30 HG3 LYS 30 -7.458 -4.671 -11.107 240 HD2 LYS 30 HD2 LYS 30 -5.038 -4.962 -11.680 241 HD3 LYS 30 HD3 LYS 30 -5.390 -6.651 -12.047 242 HE2 LYS 30 HE2 LYS 30 -6.861 -6.047 -13.810 243 HE3 LYS 30 HE3 LYS 30 -6.839 -4.351 -13.333 244 HZ1 LYS 30 HZ1 LYS 30 -4.598 -5.907 -14.518 245 HZ2 LYS 30 HZ2 LYS 30 -4.440 -4.340 -13.899 246 HZ3 LYS 30 HZ3 LYS 30 -5.450 -4.621 -15.228 247 H LYS 31 H LYS 31 -7.839 -7.558 -7.138 248 HA LYS 31 HA LYS 31 -9.807 -8.971 -8.549 249 HB2 LYS 31 HB2 LYS 31 -8.388 -9.980 -6.801 250 HB3 LYS 31 HB3 LYS 31 -9.216 -9.022 -5.581 251 HG2 LYS 31 HG2 LYS 31 -11.344 -10.164 -6.299 252 HG3 LYS 31 HG3 LYS 31 -10.336 -11.253 -7.251 253 HD2 LYS 31 HD2 LYS 31 -10.191 -10.840 -4.265 254 HD3 LYS 31 HD3 LYS 31 -10.881 -12.240 -5.089 255 HE2 LYS 31 HE2 LYS 31 -8.619 -12.619 -6.115 256 HE3 LYS 31 HE3 LYS 31 -7.997 -11.364 -5.043 257 HZ1 LYS 31 HZ1 LYS 31 -7.624 -13.478 -4.037 258 HZ2 LYS 31 HZ2 LYS 31 -9.239 -13.939 -4.247 259 HZ3 LYS 31 HZ3 LYS 31 -8.846 -12.705 -3.151 260 H MET 32 H MET 32 -10.007 -6.327 -6.321 261 HA MET 32 HA MET 32 -12.916 -6.612 -6.121 262 HB2 MET 32 HB2 MET 32 -10.982 -4.827 -4.631 263 HB3 MET 32 HB3 MET 32 -12.727 -4.830 -4.389 264 HG2 MET 32 HG2 MET 32 -10.855 -7.131 -3.897 265 HG3 MET 32 HG3 MET 32 -11.614 -6.118 -2.672 266 HE1 MET 32 HE1 MET 32 -12.536 -8.289 -1.426 267 HE2 MET 32 HE2 MET 32 -13.429 -9.569 -2.248 268 HE3 MET 32 HE3 MET 32 -11.735 -9.283 -2.644 269 H GLY 33 H GLY 33 -11.053 -5.503 -8.364 270 HA2 GLY 33 HA1 GLY 33 -11.263 -3.947 -10.029 271 HA3 GLY 33 HA2 GLY 33 -12.907 -3.705 -9.460 272 H ASN 34 H ASN 34 -9.664 -3.019 -8.165 273 HA ASN 34 HA ASN 34 -10.550 -0.241 -7.741 274 HB2 ASN 34 HB2 ASN 34 -8.778 -1.936 -5.973 275 HB3 ASN 34 HB3 ASN 34 -9.065 -0.215 -5.741 276 HD21 ASN 34 1HD2 ASN 34 -9.695 -2.703 -4.180 277 HD22 ASN 34 2HD2 ASN 34 -11.372 -2.545 -3.791 278 H LEU 35 H LEU 35 -8.661 1.268 -7.483 279 HA LEU 35 HA LEU 35 -6.577 0.536 -9.425 280 HB2 LEU 35 HB2 LEU 35 -7.678 3.275 -8.778 281 HB3 LEU 35 HB3 LEU 35 -6.388 2.943 -9.916 282 HG LEU 35 HG LEU 35 -9.244 2.003 -10.199 283 HD11 LEU 35 2HD1 LEU 35 -9.062 4.402 -10.493 284 HD12 LEU 35 1HD1 LEU 35 -9.339 3.616 -12.047 285 HD13 LEU 35 3HD1 LEU 35 -7.725 4.183 -11.623 286 HD21 LEU 35 3HD2 LEU 35 -7.663 0.456 -11.214 287 HD22 LEU 35 2HD2 LEU 35 -6.892 1.786 -12.076 288 HD23 LEU 35 1HD2 LEU 35 -8.554 1.336 -12.454 289 H ILE 36 H ILE 36 -5.036 -0.212 -8.061 290 HA ILE 36 HA ILE 36 -4.296 1.478 -5.780 291 HB ILE 36 HB ILE 36 -4.942 -0.855 -5.259 292 HG12 ILE 36 2HG1 ILE 36 -2.025 -0.242 -4.742 293 HG13 ILE 36 3HG1 ILE 36 -3.378 0.395 -3.814 294 HG21 ILE 36 2HG2 ILE 36 -4.189 -1.962 -7.268 295 HG22 ILE 36 1HG2 ILE 36 -3.420 -2.693 -5.861 296 HG23 ILE 36 3HG2 ILE 36 -2.511 -1.581 -6.884 297 HD11 ILE 36 3HD1 ILE 36 -2.339 -1.433 -2.634 298 HD12 ILE 36 2HD1 ILE 36 -2.562 -2.494 -4.027 299 HD13 ILE 36 1HD1 ILE 36 -3.964 -1.893 -3.142 300 H LYS 37 H LYS 37 -2.256 2.200 -5.517 301 HA LYS 37 HA LYS 37 -0.308 1.611 -7.648 302 HB2 LYS 37 HB2 LYS 37 -0.876 4.114 -6.085 303 HB3 LYS 37 HB3 LYS 37 0.719 3.841 -6.771 304 HG2 LYS 37 HG2 LYS 37 -1.811 3.791 -8.397 305 HG3 LYS 37 HG3 LYS 37 -0.826 5.238 -8.158 306 HD2 LYS 37 HD2 LYS 37 1.109 4.046 -9.122 307 HD3 LYS 37 HD3 LYS 37 0.074 2.645 -9.415 308 HE2 LYS 37 HE2 LYS 37 -1.299 3.920 -10.935 309 HE3 LYS 37 HE3 LYS 37 -0.404 5.393 -10.561 310 HZ1 LYS 37 HZ1 LYS 37 1.560 4.449 -11.555 311 HZ2 LYS 37 HZ2 LYS 37 0.280 4.380 -12.668 312 HZ3 LYS 37 HZ3 LYS 37 0.763 2.978 -11.842 313 H VAL 38 H VAL 38 0.977 0.083 -6.857 314 HA VAL 38 HA VAL 38 1.709 0.156 -4.026 315 HB VAL 38 HB VAL 38 2.281 -2.014 -6.052 316 HG11 VAL 38 2HG1 VAL 38 2.404 -2.048 -3.038 317 HG12 VAL 38 1HG1 VAL 38 3.794 -1.996 -4.122 318 HG13 VAL 38 3HG1 VAL 38 2.737 -3.408 -4.110 319 HG21 VAL 38 3HG2 VAL 38 0.066 -1.824 -4.013 320 HG22 VAL 38 2HG2 VAL 38 0.429 -3.236 -5.005 321 HG23 VAL 38 1HG2 VAL 38 -0.121 -1.742 -5.766 322 H GLU 39 H GLU 39 3.534 1.055 -3.446 323 HA GLU 39 HA GLU 39 5.696 1.412 -5.385 324 HB2 GLU 39 HB2 GLU 39 4.918 3.341 -4.020 325 HB3 GLU 39 HB3 GLU 39 5.388 2.474 -2.566 326 HG2 GLU 39 HG2 GLU 39 7.697 2.557 -3.190 327 HG3 GLU 39 HG3 GLU 39 7.290 3.248 -4.762 328 H THR 40 H THR 40 7.623 0.360 -5.212 329 HA THR 40 HA THR 40 7.773 -1.672 -3.092 330 HB THR 40 HB THR 40 9.051 -1.821 -5.825 331 HG1 THR 40 HG1 THR 40 6.535 -2.786 -4.894 332 HG21 THR 40 3HG2 THR 40 8.511 -3.923 -3.723 333 HG22 THR 40 1HG2 THR 40 10.086 -3.257 -4.152 334 HG23 THR 40 2HG2 THR 40 9.191 -4.228 -5.321 335 H GLN 41 H GLN 41 9.001 -0.539 -1.598 336 HA GLN 41 HA GLN 41 11.427 0.797 -2.512 337 HB2 GLN 41 HB2 GLN 41 10.014 1.971 -0.898 338 HB3 GLN 41 HB3 GLN 41 10.179 0.638 0.238 339 HG2 GLN 41 HG2 GLN 41 12.586 1.067 0.382 340 HG3 GLN 41 HG3 GLN 41 12.406 2.418 -0.737 341 HE21 GLN 41 1HE2 GLN 41 13.361 2.345 2.028 342 HE22 GLN 41 2HE2 GLN 41 12.343 3.427 2.917 343 H GLY 42 H GLY 42 13.049 -0.522 -2.899 344 HA2 GLY 42 HA1 GLY 42 13.558 -2.881 -1.319 345 HA3 GLY 42 HA2 GLY 42 14.544 -2.268 -2.640 346 H ALA 43 H ALA 43 13.560 -1.428 0.638 347 HA ALA 43 HA ALA 43 14.707 -0.773 2.480 348 HB1 ALA 43 HB1 ALA 43 17.131 -1.061 2.623 349 HB2 ALA 43 HB2 ALA 43 16.343 -2.505 1.983 350 HB3 ALA 43 HB3 ALA 43 17.191 -1.407 0.894 351 H THR 44 H THR 44 17.034 0.371 0.042 352 HA THR 44 HA THR 44 16.451 3.112 0.941 353 HB THR 44 HB THR 44 18.876 2.190 -0.609 354 HG1 THR 44 HG1 THR 44 18.945 1.148 1.376 355 HG21 THR 44 3HG2 THR 44 19.851 4.282 0.239 356 HG22 THR 44 1HG2 THR 44 18.322 4.669 1.026 357 HG23 THR 44 2HG2 THR 44 18.411 4.584 -0.734 358 H GLY 45 H GLY 45 16.453 0.978 -1.797 359 HA2 GLY 45 HA1 GLY 45 16.169 3.136 -3.730 360 HA3 GLY 45 HA2 GLY 45 16.225 1.413 -4.084 361 H ILE 46 H ILE 46 14.339 3.154 -5.234 362 HA ILE 46 HA ILE 46 11.874 2.149 -3.981 363 HB ILE 46 HB ILE 46 12.298 4.940 -5.075 364 HG12 ILE 46 2HG1 ILE 46 11.620 3.994 -2.280 365 HG13 ILE 46 3HG1 ILE 46 13.201 4.570 -2.802 366 HG21 ILE 46 2HG2 ILE 46 9.794 3.640 -4.016 367 HG22 ILE 46 1HG2 ILE 46 10.099 4.128 -5.683 368 HG23 ILE 46 3HG2 ILE 46 9.965 5.349 -4.417 369 HD11 ILE 46 3HD1 ILE 46 11.999 6.287 -1.586 370 HD12 ILE 46 2HD1 ILE 46 10.661 6.185 -2.732 371 HD13 ILE 46 1HD1 ILE 46 12.238 6.767 -3.267 372 H GLU 47 H GLU 47 10.988 0.790 -5.375 373 HA GLU 47 HA GLU 47 11.183 1.170 -8.241 374 HB2 GLU 47 HB2 GLU 47 9.701 -0.863 -6.560 375 HB3 GLU 47 HB3 GLU 47 9.683 -0.844 -8.317 376 HG2 GLU 47 HG2 GLU 47 12.153 -1.156 -6.626 377 HG3 GLU 47 HG3 GLU 47 11.256 -2.481 -7.369 378 H ASN 48 H ASN 48 9.602 1.891 -9.558 379 HA ASN 48 HA ASN 48 7.596 2.639 -10.328 380 HB2 ASN 48 HB2 ASN 48 6.449 0.895 -9.081 381 HB3 ASN 48 HB3 ASN 48 6.546 1.844 -7.605 382 HD21 ASN 48 1HD2 ASN 48 4.332 1.812 -7.332 383 HD22 ASN 48 2HD2 ASN 48 3.266 2.753 -8.316 384 H GLU 49 H GLU 49 7.797 3.571 -6.899 385 HA GLU 49 HA GLU 49 7.761 5.566 -5.838 386 HB2 GLU 49 HB2 GLU 49 9.644 6.144 -7.317 387 HB3 GLU 49 HB3 GLU 49 8.509 6.731 -8.525 388 HG2 GLU 49 HG2 GLU 49 7.719 8.414 -6.886 389 HG3 GLU 49 HG3 GLU 49 8.984 7.874 -5.784 390 H LEU 50 H LEU 50 5.859 6.155 -5.143 391 HA LEU 50 HA LEU 50 3.559 6.289 -6.781 392 HB2 LEU 50 HB2 LEU 50 3.973 7.343 -3.983 393 HB3 LEU 50 HB3 LEU 50 2.421 7.112 -4.766 394 HG LEU 50 HG LEU 50 4.383 4.959 -3.982 395 HD11 LEU 50 2HD1 LEU 50 3.103 5.833 -2.122 396 HD12 LEU 50 1HD1 LEU 50 2.552 4.209 -2.533 397 HD13 LEU 50 3HD1 LEU 50 1.603 5.611 -3.024 398 HD21 LEU 50 3HD2 LEU 50 1.748 4.703 -5.426 399 HD22 LEU 50 2HD2 LEU 50 2.735 3.367 -4.829 400 HD23 LEU 50 1HD2 LEU 50 3.344 4.408 -6.117 401 H THR 51 H THR 51 2.915 7.818 -8.082 402 HA THR 51 HA THR 51 4.210 10.327 -8.283 403 HB THR 51 HB THR 51 1.808 10.454 -9.718 404 HG1 THR 51 HG1 THR 51 1.213 8.430 -9.955 405 HG21 THR 51 3HG2 THR 51 4.513 9.434 -10.600 406 HG22 THR 51 1HG2 THR 51 4.043 11.131 -10.494 407 HG23 THR 51 2HG2 THR 51 3.247 10.068 -11.653 408 H GLU 52 H GLU 52 3.356 12.404 -7.930 409 HA GLU 52 HA GLU 52 2.069 12.802 -5.490 410 HB2 GLU 52 HB2 GLU 52 2.413 14.665 -7.841 411 HB3 GLU 52 HB3 GLU 52 1.859 15.176 -6.252 412 HG2 GLU 52 HG2 GLU 52 3.930 14.760 -5.268 413 HG3 GLU 52 HG3 GLU 52 4.463 13.747 -6.606 414 H LYS 53 H LYS 53 0.783 12.888 -8.779 415 HA LYS 53 HA LYS 53 -1.786 13.826 -8.173 416 HB2 LYS 53 HB2 LYS 53 -0.685 13.511 -10.466 417 HB3 LYS 53 HB3 LYS 53 -1.189 11.831 -10.351 418 HG2 LYS 53 HG2 LYS 53 -2.814 12.976 -11.640 419 HG3 LYS 53 HG3 LYS 53 -3.536 12.644 -10.065 420 HD2 LYS 53 HD2 LYS 53 -2.988 14.939 -9.354 421 HD3 LYS 53 HD3 LYS 53 -2.332 15.264 -10.960 422 HE2 LYS 53 HE2 LYS 53 -4.574 16.142 -10.818 423 HE3 LYS 53 HE3 LYS 53 -4.554 14.771 -11.927 424 HZ1 LYS 53 HZ1 LYS 53 -5.392 14.625 -9.081 425 HZ2 LYS 53 HZ2 LYS 53 -5.492 13.380 -10.234 426 HZ3 LYS 53 HZ3 LYS 53 -6.462 14.760 -10.389 427 H ASP 54 H ASP 54 -0.446 10.558 -8.235 428 HA ASP 54 HA ASP 54 -2.919 9.259 -7.677 429 HB2 ASP 54 HB2 ASP 54 -0.056 8.321 -7.523 430 HB3 ASP 54 HB3 ASP 54 -1.424 7.280 -7.140 431 H VAL 55 H VAL 55 -0.223 10.376 -5.720 432 HA VAL 55 HA VAL 55 -0.994 9.203 -3.291 433 HB VAL 55 HB VAL 55 0.580 11.715 -3.854 434 HG11 VAL 55 2HG1 VAL 55 -0.376 11.921 -1.643 435 HG12 VAL 55 1HG1 VAL 55 1.349 11.570 -1.518 436 HG13 VAL 55 3HG1 VAL 55 0.166 10.295 -1.229 437 HG21 VAL 55 3HG2 VAL 55 2.495 10.313 -3.248 438 HG22 VAL 55 2HG2 VAL 55 1.614 9.653 -4.625 439 HG23 VAL 55 1HG2 VAL 55 1.414 8.939 -3.025 440 H ASN 56 H ASN 56 -1.839 12.346 -4.705 441 HA ASN 56 HA ASN 56 -3.236 13.210 -2.359 442 HB2 ASN 56 HB2 ASN 56 -2.953 14.331 -5.135 443 HB3 ASN 56 HB3 ASN 56 -4.057 15.053 -3.969 444 HD21 ASN 56 1HD2 ASN 56 -0.722 14.456 -4.774 445 HD22 ASN 56 2HD2 ASN 56 -0.046 15.575 -3.631 446 H ILE 57 H ILE 57 -4.157 11.538 -5.284 447 HA ILE 57 HA ILE 57 -6.989 11.907 -4.747 448 HB ILE 57 HB ILE 57 -5.618 10.238 -6.869 449 HG12 ILE 57 2HG1 ILE 57 -5.247 12.646 -7.146 450 HG13 ILE 57 3HG1 ILE 57 -6.318 12.032 -8.402 451 HG21 ILE 57 2HG2 ILE 57 -7.831 9.363 -6.351 452 HG22 ILE 57 1HG2 ILE 57 -7.819 10.128 -7.940 453 HG23 ILE 57 3HG2 ILE 57 -8.528 10.967 -6.562 454 HD11 ILE 57 3HD1 ILE 57 -7.185 13.524 -5.933 455 HD12 ILE 57 2HD1 ILE 57 -8.244 12.935 -7.217 456 HD13 ILE 57 1HD1 ILE 57 -7.056 14.194 -7.559 457 H GLY 58 H GLY 58 -4.506 9.494 -4.303 458 HA2 GLY 58 HA1 GLY 58 -6.041 7.262 -3.661 459 HA3 GLY 58 HA2 GLY 58 -4.446 7.608 -3.010 460 H GLU 59 H GLU 59 -7.265 6.688 -2.018 461 HA GLU 59 HA GLU 59 -7.894 8.653 -0.003 462 HB2 GLU 59 HB2 GLU 59 -8.971 5.866 -0.466 463 HB3 GLU 59 HB3 GLU 59 -9.634 7.034 0.668 464 HG2 GLU 59 HG2 GLU 59 -9.410 7.554 -2.277 465 HG3 GLU 59 HG3 GLU 59 -10.828 6.822 -1.527 466 H VAL 60 H VAL 60 -7.306 5.166 0.312 467 HA VAL 60 HA VAL 60 -6.266 5.662 2.992 468 HB VAL 60 HB VAL 60 -6.466 3.190 3.281 469 HG11 VAL 60 2HG1 VAL 60 -8.905 3.158 3.411 470 HG12 VAL 60 1HG1 VAL 60 -8.985 4.589 2.383 471 HG13 VAL 60 3HG1 VAL 60 -8.260 4.696 3.987 472 HG21 VAL 60 3HG2 VAL 60 -7.749 3.317 0.550 473 HG22 VAL 60 2HG2 VAL 60 -7.751 1.915 1.621 474 HG23 VAL 60 1HG2 VAL 60 -6.232 2.513 0.954 475 H VAL 61 H VAL 61 -4.271 4.971 3.675 476 HA VAL 61 HA VAL 61 -2.388 4.320 1.508 477 HB VAL 61 HB VAL 61 -1.660 5.487 4.192 478 HG11 VAL 61 2HG1 VAL 61 0.386 6.162 2.996 479 HG12 VAL 61 1HG1 VAL 61 -0.209 5.344 1.552 480 HG13 VAL 61 3HG1 VAL 61 0.154 4.415 3.007 481 HG21 VAL 61 3HG2 VAL 61 -2.243 6.978 1.635 482 HG22 VAL 61 2HG2 VAL 61 -1.540 7.681 3.091 483 HG23 VAL 61 1HG2 VAL 61 -3.183 7.046 3.126 484 H ILE 62 H ILE 62 -1.647 2.319 1.522 485 HA ILE 62 HA ILE 62 -1.762 0.783 4.035 486 HB ILE 62 HB ILE 62 -1.802 -0.177 1.167 487 HG12 ILE 62 2HG1 ILE 62 -3.905 -0.294 3.344 488 HG13 ILE 62 3HG1 ILE 62 -3.918 0.803 1.968 489 HG21 ILE 62 2HG2 ILE 62 -1.858 -1.780 3.719 490 HG22 ILE 62 1HG2 ILE 62 -0.546 -1.733 2.543 491 HG23 ILE 62 3HG2 ILE 62 -2.104 -2.428 2.097 492 HD11 ILE 62 3HD1 ILE 62 -4.104 -2.197 1.839 493 HD12 ILE 62 2HD1 ILE 62 -4.101 -1.103 0.454 494 HD13 ILE 62 1HD1 ILE 62 -5.429 -1.054 1.615 495 H PHE 63 H PHE 63 0.072 -0.022 4.882 496 HA PHE 63 HA PHE 63 2.481 0.028 3.190 497 HB2 PHE 63 HB2 PHE 63 2.247 0.716 6.119 498 HB3 PHE 63 HB3 PHE 63 3.780 0.408 5.315 499 HD1 PHE 63 HD2 PHE 63 4.366 1.876 3.309 500 HD2 PHE 63 HD1 PHE 63 1.325 2.829 6.118 501 HE1 PHE 63 HE2 PHE 63 4.480 4.236 2.622 502 HE2 PHE 63 HE1 PHE 63 1.430 5.190 5.440 503 HZ PHE 63 HZ PHE 63 3.010 5.896 3.686 504 H ALA 64 H ALA 64 3.584 -1.776 3.042 505 HA ALA 64 HA ALA 64 3.306 -3.821 5.144 506 HB1 ALA 64 HB1 ALA 64 3.453 -5.574 3.451 507 HB2 ALA 64 HB2 ALA 64 2.052 -4.547 3.152 508 HB3 ALA 64 HB3 ALA 64 3.506 -4.358 2.176 509 H VAL 65 H VAL 65 5.236 -3.353 6.152 510 HA VAL 65 HA VAL 65 7.592 -3.189 4.410 511 HB VAL 65 HB VAL 65 8.438 -1.290 5.750 512 HG11 VAL 65 2HG1 VAL 65 6.986 0.400 4.713 513 HG12 VAL 65 1HG1 VAL 65 5.786 -0.849 4.378 514 HG13 VAL 65 3HG1 VAL 65 7.366 -0.912 3.596 515 HG21 VAL 65 3HG2 VAL 65 7.126 -1.640 7.783 516 HG22 VAL 65 2HG2 VAL 65 5.646 -1.262 6.903 517 HG23 VAL 65 1HG2 VAL 65 6.871 -0.016 7.143 518 H ASP 66 H ASP 66 9.528 -3.696 5.219 519 HA ASP 66 HA ASP 66 9.647 -5.065 7.818 520 HB2 ASP 66 HB2 ASP 66 10.339 -6.534 6.069 521 HB3 ASP 66 HB3 ASP 66 11.278 -5.273 5.281 522 H THR 67 H THR 67 10.925 -2.521 5.828 523 HA THR 67 HA THR 67 12.547 -1.533 8.079 524 HB THR 67 HB THR 67 13.893 -2.197 6.090 525 HG1 THR 67 HG1 THR 67 15.094 -0.663 6.899 526 HG21 THR 67 3HG2 THR 67 12.336 -0.017 4.701 527 HG22 THR 67 1HG2 THR 67 12.308 -1.738 4.316 528 HG23 THR 67 2HG2 THR 67 13.777 -0.798 4.053 529 H LYS 68 H LYS 68 12.927 1.072 7.299 530 HA LYS 68 HA LYS 68 10.289 2.176 7.696 531 HB2 LYS 68 HB2 LYS 68 11.352 4.289 7.983 532 HB3 LYS 68 HB3 LYS 68 12.377 3.098 8.773 533 HG2 LYS 68 HG2 LYS 68 13.944 3.149 6.979 534 HG3 LYS 68 HG3 LYS 68 12.862 4.135 5.994 535 HD2 LYS 68 HD2 LYS 68 13.026 5.903 7.773 536 HD3 LYS 68 HD3 LYS 68 14.298 4.932 8.518 537 HE2 LYS 68 HE2 LYS 68 14.350 5.942 5.683 538 HE3 LYS 68 HE3 LYS 68 15.151 6.738 7.039 539 HZ1 LYS 68 HZ1 LYS 68 16.633 5.286 5.717 540 HZ2 LYS 68 HZ2 LYS 68 15.704 3.947 6.180 541 HZ3 LYS 68 HZ3 LYS 68 16.548 4.842 7.350 542 H VAL 69 H VAL 69 9.641 4.150 6.330 543 HA VAL 69 HA VAL 69 10.014 3.419 3.500 544 HB VAL 69 HB VAL 69 7.602 4.823 4.649 545 HG11 VAL 69 2HG1 VAL 69 7.969 5.195 2.282 546 HG12 VAL 69 1HG1 VAL 69 6.549 4.181 2.536 547 HG13 VAL 69 3HG1 VAL 69 8.068 3.458 2.006 548 HG21 VAL 69 3HG2 VAL 69 7.723 2.619 5.646 549 HG22 VAL 69 2HG2 VAL 69 7.944 1.888 4.056 550 HG23 VAL 69 1HG2 VAL 69 6.419 2.678 4.460 551 H ARG 70 H ARG 70 10.478 5.017 2.046 552 HA ARG 70 HA ARG 70 11.480 7.487 3.160 553 HB2 ARG 70 HB2 ARG 70 11.441 6.426 0.333 554 HB3 ARG 70 HB3 ARG 70 12.178 7.953 0.801 555 HG2 ARG 70 HG2 ARG 70 13.691 6.730 2.312 556 HG3 ARG 70 HG3 ARG 70 12.983 5.214 1.753 557 HD2 ARG 70 HD2 ARG 70 15.077 5.690 0.595 558 HD3 ARG 70 HD3 ARG 70 13.715 5.699 -0.521 559 HE ARG 70 HE ARG 70 14.032 8.319 0.255 560 HH11 ARG 70 2HH1 ARG 70 16.033 5.904 -1.331 561 HH12 ARG 70 1HH1 ARG 70 16.954 7.082 -2.213 562 HH21 ARG 70 2HH2 ARG 70 15.244 9.845 -0.916 563 HH22 ARG 70 1HH2 ARG 70 16.508 9.311 -1.986 564 H ASN 71 H ASN 71 9.108 6.691 0.600 565 HA ASN 71 HA ASN 71 8.279 9.416 0.392 566 HB2 ASN 71 HB2 ASN 71 7.274 6.868 -0.847 567 HB3 ASN 71 HB3 ASN 71 6.433 8.401 -1.076 568 HD21 ASN 71 1HD2 ASN 71 7.773 6.737 -3.053 569 HD22 ASN 71 2HD2 ASN 71 8.995 7.747 -3.758 570 H LYS 72 H LYS 72 7.575 7.098 2.648 571 HA LYS 72 HA LYS 72 4.857 7.260 3.146 572 HB2 LYS 72 HB2 LYS 72 6.338 5.727 4.330 573 HB3 LYS 72 HB3 LYS 72 7.133 7.074 5.126 574 HG2 LYS 72 HG2 LYS 72 5.180 7.567 6.404 575 HG3 LYS 72 HG3 LYS 72 4.220 6.406 5.485 576 HD2 LYS 72 HD2 LYS 72 5.540 4.572 6.366 577 HD3 LYS 72 HD3 LYS 72 6.601 5.705 7.204 578 HE2 LYS 72 HE2 LYS 72 4.761 6.437 8.602 579 HE3 LYS 72 HE3 LYS 72 3.645 5.393 7.726 580 HZ1 LYS 72 HZ1 LYS 72 4.502 4.540 9.918 581 HZ2 LYS 72 HZ2 LYS 72 6.006 4.327 9.163 582 HZ3 LYS 72 HZ3 LYS 72 4.649 3.474 8.609 583 H GLU 73 H GLU 73 7.323 9.608 3.672 584 HA GLU 73 HA GLU 73 6.313 11.229 5.639 585 HB2 GLU 73 HB2 GLU 73 7.550 13.076 4.415 586 HB3 GLU 73 HB3 GLU 73 8.484 11.650 4.840 587 HG2 GLU 73 HG2 GLU 73 8.236 10.814 2.546 588 HG3 GLU 73 HG3 GLU 73 7.330 12.266 2.128 589 H ARG 74 H ARG 74 5.229 11.095 2.257 590 HA ARG 74 HA ARG 74 3.809 13.588 2.503 591 HB2 ARG 74 HB2 ARG 74 3.024 13.115 0.220 592 HB3 ARG 74 HB3 ARG 74 4.772 13.018 0.378 593 HG2 ARG 74 HG2 ARG 74 4.180 10.443 0.766 594 HG3 ARG 74 HG3 ARG 74 2.796 10.907 -0.234 595 HD2 ARG 74 HD2 ARG 74 4.643 10.116 -1.621 596 HD3 ARG 74 HD3 ARG 74 4.324 11.824 -1.896 597 HE ARG 74 HE ARG 74 6.401 11.223 0.028 598 HH11 ARG 74 2HH1 ARG 74 5.636 12.011 -3.291 599 HH12 ARG 74 1HH1 ARG 74 7.205 12.684 -3.627 600 HH21 ARG 74 2HH2 ARG 74 8.480 12.103 -0.413 601 HH22 ARG 74 1HH2 ARG 74 8.833 12.709 -2.004 602 H PHE 75 H PHE 75 3.074 10.445 3.473 603 HA PHE 75 HA PHE 75 0.199 10.851 3.199 604 HB2 PHE 75 HB2 PHE 75 1.648 8.492 4.399 605 HB3 PHE 75 HB3 PHE 75 -0.014 8.560 3.830 606 HD1 PHE 75 HD1 PHE 75 -0.241 9.271 1.271 607 HD2 PHE 75 HD2 PHE 75 3.199 7.510 3.045 608 HE1 PHE 75 HE1 PHE 75 0.498 8.490 -0.940 609 HE2 PHE 75 HE2 PHE 75 3.947 6.732 0.836 610 HZ PHE 75 HZ PHE 75 2.593 7.221 -1.161 611 H ASP 76 H ASP 76 2.045 12.362 5.035 612 HA ASP 76 HA ASP 76 1.888 11.537 7.677 613 HB2 ASP 76 HB2 ASP 76 2.437 13.817 8.279 614 HB3 ASP 76 HB3 ASP 76 3.357 13.344 6.858 615 H GLY 77 H GLY 77 -0.421 13.524 5.848 616 HA2 GLY 77 HA1 GLY 77 -2.144 13.592 8.239 617 HA3 GLY 77 HA2 GLY 77 -2.261 14.691 6.872 618 H LYS 78 H LYS 78 -1.716 11.431 6.093 619 HA LYS 78 HA LYS 78 -4.501 11.223 5.163 620 HB2 LYS 78 HB2 LYS 78 -1.997 9.900 4.096 621 HB3 LYS 78 HB3 LYS 78 -3.619 9.675 3.450 622 HG2 LYS 78 HG2 LYS 78 -3.737 11.992 2.809 623 HG3 LYS 78 HG3 LYS 78 -2.186 12.320 3.575 624 HD2 LYS 78 HD2 LYS 78 -1.931 12.134 1.164 625 HD3 LYS 78 HD3 LYS 78 -1.082 10.823 1.983 626 HE2 LYS 78 HE2 LYS 78 -2.317 10.087 -0.028 627 HE3 LYS 78 HE3 LYS 78 -2.841 9.281 1.446 628 HZ1 LYS 78 HZ1 LYS 78 -4.231 11.630 0.267 629 HZ2 LYS 78 HZ2 LYS 78 -4.785 10.638 1.527 630 HZ3 LYS 78 HZ3 LYS 78 -4.674 10.023 -0.046 631 H VAL 79 H VAL 79 -5.337 8.939 5.057 632 HA VAL 79 HA VAL 79 -5.084 7.861 7.696 633 HB VAL 79 HB VAL 79 -7.282 7.895 6.781 634 HG11 VAL 79 2HG1 VAL 79 -7.916 6.644 4.776 635 HG12 VAL 79 1HG1 VAL 79 -6.228 6.203 4.527 636 HG13 VAL 79 3HG1 VAL 79 -6.719 7.892 4.422 637 HG21 VAL 79 3HG2 VAL 79 -7.963 5.548 6.971 638 HG22 VAL 79 2HG2 VAL 79 -6.802 5.996 8.221 639 HG23 VAL 79 1HG2 VAL 79 -6.277 5.053 6.826 640 H VAL 80 H VAL 80 -3.686 6.412 8.346 641 HA VAL 80 HA VAL 80 -2.201 4.916 6.293 642 HB VAL 80 HB VAL 80 -1.305 5.808 9.040 643 HG11 VAL 80 2HG1 VAL 80 0.904 4.966 8.400 644 HG12 VAL 80 1HG1 VAL 80 0.223 4.332 6.900 645 HG13 VAL 80 3HG1 VAL 80 -0.296 3.674 8.452 646 HG21 VAL 80 3HG2 VAL 80 -0.444 6.723 6.295 647 HG22 VAL 80 2HG2 VAL 80 0.222 7.279 7.830 648 HG23 VAL 80 1HG2 VAL 80 -1.456 7.632 7.417 649 H LEU 81 H LEU 81 -2.561 2.831 6.202 650 HA LEU 81 HA LEU 81 -3.044 1.355 8.708 651 HB2 LEU 81 HB2 LEU 81 -4.947 1.393 7.024 652 HB3 LEU 81 HB3 LEU 81 -3.902 0.508 5.936 653 HG LEU 81 HG LEU 81 -5.641 -0.830 7.227 654 HD11 LEU 81 2HD1 LEU 81 -4.154 -2.729 7.579 655 HD12 LEU 81 1HD1 LEU 81 -2.754 -1.662 7.472 656 HD13 LEU 81 3HD1 LEU 81 -3.791 -1.900 6.066 657 HD21 LEU 81 3HD2 LEU 81 -5.040 -1.491 9.503 658 HD22 LEU 81 2HD2 LEU 81 -5.354 0.241 9.388 659 HD23 LEU 81 1HD2 LEU 81 -3.695 -0.350 9.478 660 H GLU 82 H GLU 82 -1.209 0.378 9.275 661 HA GLU 82 HA GLU 82 0.612 -0.501 7.137 662 HB2 GLU 82 HB2 GLU 82 1.405 1.416 8.530 663 HB3 GLU 82 HB3 GLU 82 1.358 0.361 9.935 664 HG2 GLU 82 HG2 GLU 82 3.023 -1.090 8.910 665 HG3 GLU 82 HG3 GLU 82 3.065 -0.045 7.489 666 H VAL 83 H VAL 83 1.225 -2.544 7.083 667 HA VAL 83 HA VAL 83 0.892 -4.243 9.459 668 HB VAL 83 HB VAL 83 0.089 -6.097 7.994 669 HG11 VAL 83 2HG1 VAL 83 -1.679 -3.657 7.988 670 HG12 VAL 83 1HG1 VAL 83 -1.504 -4.805 9.315 671 HG13 VAL 83 3HG1 VAL 83 -2.216 -5.325 7.787 672 HG21 VAL 83 3HG2 VAL 83 -0.169 -3.921 5.920 673 HG22 VAL 83 2HG2 VAL 83 -0.829 -5.550 5.775 674 HG23 VAL 83 1HG2 VAL 83 0.917 -5.310 5.855 675 HA PRO 84 HA PRO 84 4.865 -6.010 8.356 676 HB2 PRO 84 HB2 PRO 84 3.654 -8.717 8.363 677 HB3 PRO 84 HB3 PRO 84 5.001 -8.086 9.316 678 HG2 PRO 84 HG2 PRO 84 2.622 -8.533 10.431 679 HG3 PRO 84 HG3 PRO 84 3.608 -7.135 10.901 680 HD2 PRO 84 HD2 PRO 84 1.216 -7.253 9.105 681 HD3 PRO 84 HD3 PRO 84 1.653 -6.033 10.321 682 H VAL 85 H VAL 85 5.995 -6.970 6.601 683 HA VAL 85 HA VAL 85 4.716 -6.485 4.113 684 HB VAL 85 HB VAL 85 7.153 -6.136 4.606 685 HG11 VAL 85 2HG1 VAL 85 7.302 -9.122 4.236 686 HG12 VAL 85 1HG1 VAL 85 7.651 -8.227 5.716 687 HG13 VAL 85 3HG1 VAL 85 8.683 -8.026 4.300 688 HG21 VAL 85 3HG2 VAL 85 6.394 -5.967 2.347 689 HG22 VAL 85 2HG2 VAL 85 6.395 -7.723 2.161 690 HG23 VAL 85 1HG2 VAL 85 7.917 -6.856 2.351 691 H SER 86 H SER 86 5.130 -9.329 6.024 692 HA SER 86 HA SER 86 4.703 -11.233 3.935 693 HB2 SER 86 HB2 SER 86 4.185 -12.669 6.099 694 HB3 SER 86 HB3 SER 86 5.834 -12.166 5.712 695 HG SER 86 HG SER 86 4.374 -11.575 7.874 696 H ALA 87 H ALA 87 2.624 -9.216 5.781 697 HA ALA 87 HA ALA 87 0.429 -10.963 6.099 698 HB1 ALA 87 HB1 ALA 87 -0.825 -9.026 6.791 699 HB2 ALA 87 HB2 ALA 87 0.793 -8.984 7.493 700 HB3 ALA 87 HB3 ALA 87 0.404 -7.957 6.114 701 HA PRO 88 HA PRO 88 -1.698 -8.638 2.458 702 HB2 PRO 88 HB2 PRO 88 -0.172 -7.395 0.601 703 HB3 PRO 88 HB3 PRO 88 -0.741 -6.585 2.067 704 HG2 PRO 88 HG2 PRO 88 1.921 -7.843 1.511 705 HG3 PRO 88 HG3 PRO 88 1.563 -6.273 2.257 706 HD2 PRO 88 HD2 PRO 88 2.192 -8.440 3.728 707 HD3 PRO 88 HD3 PRO 88 1.034 -7.223 4.300 708 H ILE 89 H ILE 89 0.959 -10.713 2.246 709 HA ILE 89 HA ILE 89 0.658 -11.508 -0.482 710 HB ILE 89 HB ILE 89 1.860 -13.040 1.839 711 HG12 ILE 89 2HG1 ILE 89 3.170 -11.311 -0.278 712 HG13 ILE 89 3HG1 ILE 89 2.969 -10.875 1.415 713 HG21 ILE 89 2HG2 ILE 89 3.007 -14.347 0.109 714 HG22 ILE 89 1HG2 ILE 89 2.124 -13.466 -1.137 715 HG23 ILE 89 3HG2 ILE 89 1.255 -14.504 -0.008 716 HD11 ILE 89 3HD1 ILE 89 5.233 -11.603 0.965 717 HD12 ILE 89 2HD1 ILE 89 4.636 -13.146 0.355 718 HD13 ILE 89 1HD1 ILE 89 4.426 -12.730 2.057 719 H LYS 90 H LYS 90 -0.513 -12.727 2.625 720 HA LYS 90 HA LYS 90 -2.316 -14.564 1.239 721 HB2 LYS 90 HB2 LYS 90 -1.625 -14.248 4.160 722 HB3 LYS 90 HB3 LYS 90 -2.830 -15.375 3.558 723 HG2 LYS 90 HG2 LYS 90 0.105 -15.391 2.886 724 HG3 LYS 90 HG3 LYS 90 -0.725 -16.499 3.983 725 HD2 LYS 90 HD2 LYS 90 -2.178 -17.160 2.032 726 HD3 LYS 90 HD3 LYS 90 -1.085 -16.231 1.004 727 HE2 LYS 90 HE2 LYS 90 0.774 -17.635 1.660 728 HE3 LYS 90 HE3 LYS 90 -0.263 -18.529 2.774 729 HZ1 LYS 90 HZ1 LYS 90 -0.173 -19.851 0.876 730 HZ2 LYS 90 HZ2 LYS 90 -0.300 -18.532 -0.182 731 HZ3 LYS 90 HZ3 LYS 90 -1.652 -19.035 0.710 732 H ASP 91 H ASP 91 -2.392 -11.904 3.583 733 HA ASP 91 HA ASP 91 -5.316 -11.966 3.569 734 HB2 ASP 91 HB2 ASP 91 -3.270 -10.705 5.378 735 HB3 ASP 91 HB3 ASP 91 -4.967 -10.239 5.450 736 H ALA 92 H ALA 92 -4.035 -10.956 1.233 737 HA ALA 92 HA ALA 92 -3.688 -8.209 1.094 738 HB1 ALA 92 HB1 ALA 92 -4.901 -9.979 -1.029 739 HB2 ALA 92 HB2 ALA 92 -4.166 -8.396 -1.282 740 HB3 ALA 92 HB3 ALA 92 -3.174 -9.752 -0.747 741 H GLU 93 H GLU 93 -6.700 -10.056 0.640 742 HA GLU 93 HA GLU 93 -8.330 -7.804 0.119 743 HB2 GLU 93 HB2 GLU 93 -9.000 -10.572 1.122 744 HB3 GLU 93 HB3 GLU 93 -10.215 -9.370 0.707 745 HG2 GLU 93 HG2 GLU 93 -9.559 -9.366 -1.570 746 HG3 GLU 93 HG3 GLU 93 -8.118 -10.320 -1.218 747 H LYS 94 H LYS 94 -7.369 -9.438 3.070 748 HA LYS 94 HA LYS 94 -9.252 -8.207 4.791 749 HB2 LYS 94 HB2 LYS 94 -8.120 -10.218 5.497 750 HB3 LYS 94 HB3 LYS 94 -6.549 -9.450 5.335 751 HG2 LYS 94 HG2 LYS 94 -7.132 -9.610 7.659 752 HG3 LYS 94 HG3 LYS 94 -7.132 -7.914 7.171 753 HD2 LYS 94 HD2 LYS 94 -9.047 -8.300 8.557 754 HD3 LYS 94 HD3 LYS 94 -9.605 -8.061 6.900 755 HE2 LYS 94 HE2 LYS 94 -9.780 -10.501 6.626 756 HE3 LYS 94 HE3 LYS 94 -9.257 -10.717 8.297 757 HZ1 LYS 94 HZ1 LYS 94 -11.722 -9.304 7.417 758 HZ2 LYS 94 HZ2 LYS 94 -11.217 -9.486 9.021 759 HZ3 LYS 94 HZ3 LYS 94 -11.659 -10.850 8.115 760 H VAL 95 H VAL 95 -5.921 -7.455 3.905 761 HA VAL 95 HA VAL 95 -5.550 -5.228 5.571 762 HB VAL 95 HB VAL 95 -4.309 -5.793 2.871 763 HG11 VAL 95 2HG1 VAL 95 -2.476 -4.381 3.612 764 HG12 VAL 95 1HG1 VAL 95 -3.331 -4.039 5.117 765 HG13 VAL 95 3HG1 VAL 95 -3.990 -3.477 3.580 766 HG21 VAL 95 3HG2 VAL 95 -3.997 -7.639 4.417 767 HG22 VAL 95 2HG2 VAL 95 -3.386 -6.528 5.646 768 HG23 VAL 95 1HG2 VAL 95 -2.474 -6.783 4.158 769 H ILE 96 H ILE 96 -6.701 -5.464 2.225 770 HA ILE 96 HA ILE 96 -7.018 -2.698 1.759 771 HB ILE 96 HB ILE 96 -8.489 -5.026 0.513 772 HG12 ILE 96 2HG1 ILE 96 -6.097 -3.502 -0.524 773 HG13 ILE 96 3HG1 ILE 96 -5.970 -5.015 0.367 774 HG21 ILE 96 2HG2 ILE 96 -8.892 -3.477 -1.364 775 HG22 ILE 96 1HG2 ILE 96 -8.187 -2.170 -0.413 776 HG23 ILE 96 3HG2 ILE 96 -9.677 -2.946 0.123 777 HD11 ILE 96 3HD1 ILE 96 -7.235 -6.151 -1.364 778 HD12 ILE 96 2HD1 ILE 96 -5.812 -5.355 -2.032 779 HD13 ILE 96 1HD1 ILE 96 -7.406 -4.632 -2.245 780 H ASN 97 H ASN 97 -9.371 -5.197 2.721 781 HA ASN 97 HA ASN 97 -11.595 -3.516 2.954 782 HB2 ASN 97 HB2 ASN 97 -10.910 -6.139 4.272 783 HB3 ASN 97 HB3 ASN 97 -12.437 -5.315 4.572 784 HD21 ASN 97 1HD2 ASN 97 -11.869 -7.905 3.303 785 HD22 ASN 97 2HD2 ASN 97 -12.584 -7.825 1.733 786 H ALA 98 H ALA 98 -9.133 -4.420 5.329 787 HA ALA 98 HA ALA 98 -10.297 -3.199 7.567 788 HB1 ALA 98 HB1 ALA 98 -7.367 -3.595 6.967 789 HB2 ALA 98 HB2 ALA 98 -8.063 -3.247 8.551 790 HB3 ALA 98 HB3 ALA 98 -8.438 -4.766 7.736 791 H ALA 99 H ALA 99 -8.178 -1.906 5.056 792 HA ALA 99 HA ALA 99 -7.701 0.609 6.214 793 HB1 ALA 99 HB1 ALA 99 -6.393 -0.247 4.338 794 HB2 ALA 99 HB2 ALA 99 -7.805 -0.120 3.290 795 HB3 ALA 99 HB3 ALA 99 -7.078 1.335 3.968 796 H LEU 100 H LEU 100 -10.172 -0.410 3.840 797 HA LEU 100 HA LEU 100 -11.504 2.085 3.770 798 HB2 LEU 100 HB2 LEU 100 -12.253 -0.710 2.990 799 HB3 LEU 100 HB3 LEU 100 -13.451 0.567 2.949 800 HG LEU 100 HG LEU 100 -12.504 0.196 0.748 801 HD11 LEU 100 2HD1 LEU 100 -13.231 2.437 1.297 802 HD12 LEU 100 1HD1 LEU 100 -11.821 2.499 0.237 803 HD13 LEU 100 3HD1 LEU 100 -11.641 2.811 1.965 804 HD21 LEU 100 3HD2 LEU 100 -10.175 0.672 0.243 805 HD22 LEU 100 2HD2 LEU 100 -10.314 -0.654 1.397 806 HD23 LEU 100 1HD2 LEU 100 -9.854 0.955 1.953 807 H ALA 101 H ALA 101 -11.735 -0.702 5.851 808 HA ALA 101 HA ALA 101 -14.207 -0.086 7.069 809 HB1 ALA 101 HB1 ALA 101 -13.173 -2.302 7.193 810 HB2 ALA 101 HB2 ALA 101 -11.892 -1.643 8.209 811 HB3 ALA 101 HB3 ALA 101 -13.555 -1.668 8.793 812 H LEU 102 H LEU 102 -11.119 1.342 7.384 813 HA LEU 102 HA LEU 102 -11.501 2.331 10.059 814 HB2 LEU 102 HB2 LEU 102 -9.512 3.106 7.927 815 HB3 LEU 102 HB3 LEU 102 -9.477 3.678 9.584 816 HG LEU 102 HG LEU 102 -9.097 0.828 8.668 817 HD11 LEU 102 2HD1 LEU 102 -6.823 1.124 9.511 818 HD12 LEU 102 1HD1 LEU 102 -7.183 2.808 9.896 819 HD13 LEU 102 3HD1 LEU 102 -7.186 2.267 8.218 820 HD21 LEU 102 3HD2 LEU 102 -9.025 1.982 11.454 821 HD22 LEU 102 2HD2 LEU 102 -8.639 0.320 11.007 822 HD23 LEU 102 1HD2 LEU 102 -10.282 0.928 10.805 823 H ILE 103 H ILE 103 -12.496 3.316 6.931 824 HA ILE 103 HA ILE 103 -13.117 6.001 7.975 825 HB ILE 103 HB ILE 103 -13.160 6.771 5.600 826 HG12 ILE 103 2HG1 ILE 103 -11.822 4.111 5.054 827 HG13 ILE 103 3HG1 ILE 103 -13.454 4.544 4.555 828 HG21 ILE 103 2HG2 ILE 103 -10.729 6.935 5.388 829 HG22 ILE 103 1HG2 ILE 103 -10.539 5.661 6.591 830 HG23 ILE 103 3HG2 ILE 103 -11.254 7.206 7.049 831 HD11 ILE 103 3HD1 ILE 103 -11.908 4.744 2.711 832 HD12 ILE 103 2HD1 ILE 103 -10.909 5.862 3.641 833 HD13 ILE 103 1HD1 ILE 103 -12.540 6.330 3.157 834 H ASP 104 H ASP 104 -14.334 3.326 5.996 835 HA ASP 104 HA ASP 104 -17.013 4.551 6.162 836 HB2 ASP 104 HB2 ASP 104 -16.064 4.480 3.867 837 HB3 ASP 104 HB3 ASP 104 -15.953 2.731 3.993 838 H GLU 105 H GLU 105 -15.086 1.805 6.788 839 HA GLU 105 HA GLU 105 -15.457 -0.200 7.759 840 HB2 GLU 105 HB2 GLU 105 -18.098 1.073 8.419 841 HB3 GLU 105 HB3 GLU 105 -17.756 -0.601 8.828 842 HG2 GLU 105 HG2 GLU 105 -15.770 0.198 10.100 843 HG3 GLU 105 HG3 GLU 105 -16.318 1.848 9.805 844 H LYS 106 H LYS 106 -15.226 -1.205 5.743 845 HA LYS 106 HA LYS 106 -17.746 -2.401 4.839 846 HB2 LYS 106 HB2 LYS 106 -16.759 -1.166 3.001 847 HB3 LYS 106 HB3 LYS 106 -15.211 -1.964 3.250 848 HG2 LYS 106 HG2 LYS 106 -16.513 -2.865 1.340 849 HG3 LYS 106 HG3 LYS 106 -16.110 -4.073 2.561 850 HD2 LYS 106 HD2 LYS 106 -18.494 -3.281 3.501 851 HD3 LYS 106 HD3 LYS 106 -18.741 -2.957 1.783 852 HE2 LYS 106 HE2 LYS 106 -19.476 -5.220 2.439 853 HE3 LYS 106 HE3 LYS 106 -18.190 -5.246 1.233 854 HZ1 LYS 106 HZ1 LYS 106 -17.631 -5.510 4.134 855 HZ2 LYS 106 HZ2 LYS 106 -16.617 -5.892 2.827 856 HZ3 LYS 106 HZ3 LYS 106 -17.970 -6.853 3.155 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -16.543 -0.574 -8.267 2 H2 MET 1 H2 MET 1 -17.494 0.747 -8.734 3 H3 MET 1 H3 MET 1 -18.039 -0.302 -7.523 4 HA MET 1 HA MET 1 -17.223 1.771 -6.599 5 HB2 MET 1 HB2 MET 1 -17.038 -0.324 -5.295 6 HB3 MET 1 HB3 MET 1 -15.450 -0.609 -5.993 7 HG2 MET 1 HG2 MET 1 -14.767 1.614 -4.991 8 HG3 MET 1 HG3 MET 1 -16.280 1.553 -4.088 9 HE1 MET 1 HE1 MET 1 -16.868 -0.397 -2.325 10 HE2 MET 1 HE2 MET 1 -16.536 -1.602 -3.570 11 HE3 MET 1 HE3 MET 1 -15.783 -1.742 -1.979 12 H LYS 2 H LYS 2 -14.401 -0.138 -7.571 13 HA LYS 2 HA LYS 2 -12.282 0.448 -8.084 14 HB2 LYS 2 HB2 LYS 2 -13.754 2.498 -9.740 15 HB3 LYS 2 HB3 LYS 2 -12.039 2.137 -9.903 16 HG2 LYS 2 HG2 LYS 2 -12.627 -0.209 -10.428 17 HG3 LYS 2 HG3 LYS 2 -14.330 0.241 -10.378 18 HD2 LYS 2 HD2 LYS 2 -13.576 0.208 -12.666 19 HD3 LYS 2 HD3 LYS 2 -13.911 1.873 -12.188 20 HE2 LYS 2 HE2 LYS 2 -11.524 2.246 -11.818 21 HE3 LYS 2 HE3 LYS 2 -11.190 0.578 -12.284 22 HZ1 LYS 2 HZ1 LYS 2 -12.001 1.035 -14.487 23 HZ2 LYS 2 HZ2 LYS 2 -10.804 2.165 -14.091 24 HZ3 LYS 2 HZ3 LYS 2 -12.438 2.614 -14.049 25 H ARG 3 H ARG 3 -11.876 1.053 -5.904 26 HA ARG 3 HA ARG 3 -11.927 3.884 -5.256 27 HB2 ARG 3 HB2 ARG 3 -12.403 1.788 -3.690 28 HB3 ARG 3 HB3 ARG 3 -10.660 1.857 -3.466 29 HG2 ARG 3 HG2 ARG 3 -11.776 3.078 -1.708 30 HG3 ARG 3 HG3 ARG 3 -10.860 4.193 -2.728 31 HD2 ARG 3 HD2 ARG 3 -12.921 4.749 -3.940 32 HD3 ARG 3 HD3 ARG 3 -13.823 3.656 -2.896 33 HE ARG 3 HE ARG 3 -12.531 5.480 -1.248 34 HH11 ARG 3 2HH1 ARG 3 -14.919 5.565 -3.798 35 HH12 ARG 3 1HH1 ARG 3 -15.800 6.891 -3.111 36 HH21 ARG 3 2HH2 ARG 3 -13.661 7.265 -0.356 37 HH22 ARG 3 1HH2 ARG 3 -15.080 7.868 -1.162 38 H LYS 4 H LYS 4 -9.857 4.735 -4.157 39 HA LYS 4 HA LYS 4 -7.573 4.032 -5.882 40 HB2 LYS 4 HB2 LYS 4 -7.824 6.631 -4.409 41 HB3 LYS 4 HB3 LYS 4 -6.915 6.270 -5.870 42 HG2 LYS 4 HG2 LYS 4 -9.916 6.358 -5.709 43 HG3 LYS 4 HG3 LYS 4 -8.900 7.695 -6.244 44 HD2 LYS 4 HD2 LYS 4 -8.094 6.392 -8.110 45 HD3 LYS 4 HD3 LYS 4 -8.974 4.972 -7.534 46 HE2 LYS 4 HE2 LYS 4 -10.182 6.066 -9.347 47 HE3 LYS 4 HE3 LYS 4 -11.090 6.146 -7.840 48 HZ1 LYS 4 HZ1 LYS 4 -10.129 8.436 -7.560 49 HZ2 LYS 4 HZ2 LYS 4 -11.231 8.260 -8.833 50 HZ3 LYS 4 HZ3 LYS 4 -9.570 8.325 -9.161 51 H ILE 5 H ILE 5 -5.818 3.189 -4.885 52 HA ILE 5 HA ILE 5 -5.437 3.765 -2.025 53 HB ILE 5 HB ILE 5 -5.282 0.996 -3.233 54 HG12 ILE 5 2HG1 ILE 5 -7.235 2.130 -1.216 55 HG13 ILE 5 3HG1 ILE 5 -7.601 1.809 -2.907 56 HG21 ILE 5 2HG2 ILE 5 -3.609 1.302 -1.512 57 HG22 ILE 5 1HG2 ILE 5 -4.896 0.255 -0.913 58 HG23 ILE 5 3HG2 ILE 5 -4.824 1.943 -0.406 59 HD11 ILE 5 3HD1 ILE 5 -7.239 -0.564 -2.554 60 HD12 ILE 5 2HD1 ILE 5 -8.452 0.062 -1.436 61 HD13 ILE 5 1HD1 ILE 5 -6.813 -0.259 -0.870 62 H ILE 6 H ILE 6 -3.378 4.292 -1.547 63 HA ILE 6 HA ILE 6 -1.283 3.367 -3.394 64 HB ILE 6 HB ILE 6 0.185 5.137 -2.489 65 HG12 ILE 6 2HG1 ILE 6 -1.148 5.424 -0.318 66 HG13 ILE 6 3HG1 ILE 6 -0.537 6.889 -1.079 67 HG21 ILE 6 2HG2 ILE 6 -0.991 5.476 -4.573 68 HG22 ILE 6 1HG2 ILE 6 -0.838 6.998 -3.693 69 HG23 ILE 6 3HG2 ILE 6 -2.377 6.137 -3.706 70 HD11 ILE 6 3HD1 ILE 6 -2.791 7.210 -0.266 71 HD12 ILE 6 2HD1 ILE 6 -3.361 5.846 -1.228 72 HD13 ILE 6 1HD1 ILE 6 -2.762 7.300 -2.027 73 H ALA 7 H ALA 7 0.271 2.038 -2.620 74 HA ALA 7 HA ALA 7 0.408 1.597 0.271 75 HB1 ALA 7 HB1 ALA 7 -0.165 -0.609 -1.706 76 HB2 ALA 7 HB2 ALA 7 0.117 -0.811 0.023 77 HB3 ALA 7 HB3 ALA 7 -1.308 0.059 -0.540 78 H VAL 8 H VAL 8 2.450 1.409 0.895 79 HA VAL 8 HA VAL 8 4.495 0.865 -1.125 80 HB VAL 8 HB VAL 8 4.898 1.727 1.745 81 HG11 VAL 8 2HG1 VAL 8 6.768 1.711 -0.621 82 HG12 VAL 8 1HG1 VAL 8 6.833 0.624 0.767 83 HG13 VAL 8 3HG1 VAL 8 7.142 2.348 0.981 84 HG21 VAL 8 3HG2 VAL 8 5.303 3.976 0.835 85 HG22 VAL 8 2HG2 VAL 8 3.648 3.436 0.551 86 HG23 VAL 8 1HG2 VAL 8 4.824 3.404 -0.763 87 H THR 9 H THR 9 5.176 -1.142 -1.359 88 HA THR 9 HA THR 9 5.194 -2.919 0.992 89 HB THR 9 HB THR 9 5.114 -4.783 -0.743 90 HG1 THR 9 HG1 THR 9 5.587 -3.133 -2.478 91 HG21 THR 9 3HG2 THR 9 2.736 -2.928 -0.545 92 HG22 THR 9 1HG2 THR 9 3.171 -4.180 0.618 93 HG23 THR 9 2HG2 THR 9 2.678 -4.628 -1.015 94 H ALA 10 H ALA 10 7.210 -3.235 1.710 95 HA ALA 10 HA ALA 10 9.360 -3.866 -0.098 96 HB1 ALA 10 HB1 ALA 10 10.804 -1.998 0.519 97 HB2 ALA 10 HB2 ALA 10 9.337 -1.426 -0.277 98 HB3 ALA 10 HB3 ALA 10 9.497 -1.297 1.474 99 H CYS 11 H CYS 11 11.340 -4.419 1.046 100 HA CYS 11 HA CYS 11 11.285 -4.543 3.918 101 HB2 CYS 11 HB2 CYS 11 11.522 -7.011 4.023 102 HB3 CYS 11 HB3 CYS 11 9.941 -6.503 3.445 103 HG CYS 11 HG CYS 11 11.272 -6.795 0.692 104 H ALA 12 H ALA 12 13.311 -4.799 4.787 105 HA ALA 12 HA ALA 12 15.507 -4.583 2.879 106 HB1 ALA 12 HB1 ALA 12 15.397 -2.945 4.693 107 HB2 ALA 12 HB2 ALA 12 15.492 -4.244 5.882 108 HB3 ALA 12 HB3 ALA 12 16.858 -3.924 4.813 109 H THR 13 H THR 13 14.247 -6.668 5.374 110 HA THR 13 HA THR 13 16.291 -8.666 4.670 111 HB THR 13 HB THR 13 15.542 -9.814 6.814 112 HG1 THR 13 HG1 THR 13 14.106 -7.383 6.986 113 HG21 THR 13 3HG2 THR 13 16.915 -8.372 8.248 114 HG22 THR 13 1HG2 THR 13 16.819 -7.085 7.046 115 HG23 THR 13 2HG2 THR 13 17.653 -8.591 6.661 116 H GLY 14 H GLY 14 15.669 -10.571 3.795 117 HA2 GLY 14 HA1 GLY 14 14.282 -12.162 2.857 118 HA3 GLY 14 HA2 GLY 14 12.974 -11.543 3.858 119 H VAL 15 H VAL 15 14.963 -10.471 1.115 120 HA VAL 15 HA VAL 15 13.287 -8.375 0.365 121 HB VAL 15 HB VAL 15 14.595 -8.286 -1.705 122 HG11 VAL 15 2HG1 VAL 15 15.461 -7.277 0.341 123 HG12 VAL 15 1HG1 VAL 15 16.769 -7.903 -0.662 124 HG13 VAL 15 3HG1 VAL 15 16.245 -8.800 0.762 125 HG21 VAL 15 3HG2 VAL 15 14.819 -10.675 -2.141 126 HG22 VAL 15 2HG2 VAL 15 15.846 -10.847 -0.716 127 HG23 VAL 15 1HG2 VAL 15 16.400 -9.895 -2.092 128 H ALA 16 H ALA 16 12.932 -11.733 -0.306 129 HA ALA 16 HA ALA 16 11.514 -11.642 -2.723 130 HB1 ALA 16 HB1 ALA 16 12.301 -13.725 -1.684 131 HB2 ALA 16 HB2 ALA 16 11.086 -13.540 -0.420 132 HB3 ALA 16 HB3 ALA 16 10.587 -13.794 -2.092 133 H HIS 17 H HIS 17 10.613 -10.742 0.494 134 HA HIS 17 HA HIS 17 7.805 -10.913 0.233 135 HB2 HIS 17 HB2 HIS 17 9.534 -9.205 2.025 136 HB3 HIS 17 HB3 HIS 17 7.780 -9.253 2.135 137 HD1 HIS 17 HD1 HIS 17 10.586 -10.622 3.738 138 HD2 HIS 17 HD2 HIS 17 6.971 -12.207 2.435 139 HE1 HIS 17 HE1 HIS 17 10.248 -12.722 5.076 140 HE2 HIS 17 HE2 HIS 17 8.143 -13.749 4.156 141 H THR 18 H THR 18 10.130 -8.398 -0.596 142 HA THR 18 HA THR 18 8.389 -6.244 -0.921 143 HB THR 18 HB THR 18 10.857 -6.796 -2.588 144 HG1 THR 18 HG1 THR 18 11.982 -5.720 -0.934 145 HG21 THR 18 3HG2 THR 18 9.487 -4.933 -3.398 146 HG22 THR 18 1HG2 THR 18 11.017 -4.358 -2.734 147 HG23 THR 18 2HG2 THR 18 9.532 -4.198 -1.796 148 H TYR 19 H TYR 19 9.158 -8.901 -3.093 149 HA TYR 19 HA TYR 19 7.742 -7.611 -5.284 150 HB2 TYR 19 HB2 TYR 19 9.187 -10.268 -5.229 151 HB3 TYR 19 HB3 TYR 19 8.587 -9.436 -6.664 152 HD1 TYR 19 HD1 TYR 19 9.559 -7.080 -7.124 153 HD2 TYR 19 HD2 TYR 19 11.373 -9.897 -4.504 154 HE1 TYR 19 HE1 TYR 19 11.694 -5.879 -7.319 155 HE2 TYR 19 HE2 TYR 19 13.513 -8.701 -4.693 156 HH TYR 19 HH TYR 19 14.607 -7.153 -6.454 157 H MET 20 H MET 20 7.530 -10.517 -3.275 158 HA MET 20 HA MET 20 5.287 -11.621 -4.578 159 HB2 MET 20 HB2 MET 20 6.716 -12.973 -3.140 160 HB3 MET 20 HB3 MET 20 6.255 -12.010 -1.742 161 HG2 MET 20 HG2 MET 20 5.066 -14.110 -1.743 162 HG3 MET 20 HG3 MET 20 3.947 -12.769 -1.980 163 HE1 MET 20 HE1 MET 20 2.198 -15.514 -4.087 164 HE2 MET 20 HE2 MET 20 3.018 -15.709 -2.538 165 HE3 MET 20 HE3 MET 20 2.017 -14.287 -2.833 166 H ALA 21 H ALA 21 5.569 -9.433 -1.800 167 HA ALA 21 HA ALA 21 2.853 -9.514 -1.041 168 HB1 ALA 21 HB1 ALA 21 4.632 -8.661 0.421 169 HB2 ALA 21 HB2 ALA 21 4.824 -7.266 -0.639 170 HB3 ALA 21 HB3 ALA 21 3.315 -7.502 0.241 171 H ALA 22 H ALA 22 4.625 -7.270 -3.141 172 HA ALA 22 HA ALA 22 2.515 -5.498 -3.636 173 HB1 ALA 22 HB1 ALA 22 3.819 -4.721 -5.529 174 HB2 ALA 22 HB2 ALA 22 4.872 -5.012 -4.146 175 HB3 ALA 22 HB3 ALA 22 4.815 -6.175 -5.471 176 H GLN 23 H GLN 23 3.499 -8.450 -5.336 177 HA GLN 23 HA GLN 23 1.616 -8.140 -7.463 178 HB2 GLN 23 HB2 GLN 23 3.086 -10.591 -6.475 179 HB3 GLN 23 HB3 GLN 23 2.157 -10.517 -7.964 180 HG2 GLN 23 HG2 GLN 23 3.676 -8.858 -8.864 181 HG3 GLN 23 HG3 GLN 23 4.574 -8.833 -7.347 182 HE21 GLN 23 1HE2 GLN 23 4.324 -11.709 -6.967 183 HE22 GLN 23 2HE2 GLN 23 5.420 -12.449 -8.083 184 H ALA 24 H ALA 24 1.612 -9.994 -4.433 185 HA ALA 24 HA ALA 24 -0.882 -11.275 -4.902 186 HB1 ALA 24 HB1 ALA 24 0.756 -12.135 -3.297 187 HB2 ALA 24 HB2 ALA 24 0.506 -10.715 -2.282 188 HB3 ALA 24 HB3 ALA 24 -0.810 -11.861 -2.536 189 H LEU 25 H LEU 25 0.080 -8.326 -3.225 190 HA LEU 25 HA LEU 25 -2.477 -7.553 -2.330 191 HB2 LEU 25 HB2 LEU 25 -0.369 -6.572 -1.529 192 HB3 LEU 25 HB3 LEU 25 -0.096 -5.858 -3.104 193 HG LEU 25 HG LEU 25 -2.104 -4.451 -2.795 194 HD11 LEU 25 2HD1 LEU 25 -3.139 -4.299 -0.587 195 HD12 LEU 25 1HD1 LEU 25 -2.145 -5.643 -0.025 196 HD13 LEU 25 3HD1 LEU 25 -3.352 -5.905 -1.284 197 HD21 LEU 25 3HD2 LEU 25 0.172 -3.694 -2.172 198 HD22 LEU 25 2HD2 LEU 25 -0.137 -4.235 -0.522 199 HD23 LEU 25 1HD2 LEU 25 -1.102 -2.931 -1.216 200 H LYS 26 H LYS 26 -0.698 -6.959 -5.314 201 HA LYS 26 HA LYS 26 -2.513 -5.300 -6.641 202 HB2 LYS 26 HB2 LYS 26 -0.179 -5.906 -7.389 203 HB3 LYS 26 HB3 LYS 26 -0.815 -7.460 -7.907 204 HG2 LYS 26 HG2 LYS 26 -0.820 -6.260 -9.865 205 HG3 LYS 26 HG3 LYS 26 -2.475 -6.029 -9.295 206 HD2 LYS 26 HD2 LYS 26 -1.749 -3.891 -9.951 207 HD3 LYS 26 HD3 LYS 26 -1.632 -3.903 -8.191 208 HE2 LYS 26 HE2 LYS 26 0.338 -2.869 -9.166 209 HE3 LYS 26 HE3 LYS 26 0.766 -4.376 -8.355 210 HZ1 LYS 26 HZ1 LYS 26 0.832 -5.488 -10.481 211 HZ2 LYS 26 HZ2 LYS 26 1.858 -4.142 -10.518 212 HZ3 LYS 26 HZ3 LYS 26 0.344 -4.078 -11.280 213 H LYS 27 H LYS 27 -2.274 -8.819 -6.467 214 HA LYS 27 HA LYS 27 -4.342 -9.512 -8.211 215 HB2 LYS 27 HB2 LYS 27 -2.638 -11.057 -7.299 216 HB3 LYS 27 HB3 LYS 27 -3.395 -10.939 -5.719 217 HG2 LYS 27 HG2 LYS 27 -5.438 -11.942 -6.654 218 HG3 LYS 27 HG3 LYS 27 -4.608 -12.119 -8.205 219 HD2 LYS 27 HD2 LYS 27 -2.858 -13.444 -7.036 220 HD3 LYS 27 HD3 LYS 27 -3.847 -13.382 -5.578 221 HE2 LYS 27 HE2 LYS 27 -5.680 -14.481 -6.819 222 HE3 LYS 27 HE3 LYS 27 -4.618 -14.612 -8.220 223 HZ1 LYS 27 HZ1 LYS 27 -4.211 -15.882 -5.566 224 HZ2 LYS 27 HZ2 LYS 27 -3.088 -15.928 -6.833 225 HZ3 LYS 27 HZ3 LYS 27 -4.597 -16.669 -7.019 226 H GLY 28 H GLY 28 -4.381 -9.002 -4.686 227 HA2 GLY 28 HA1 GLY 28 -7.130 -9.501 -4.303 228 HA3 GLY 28 HA2 GLY 28 -6.107 -8.545 -3.237 229 H ALA 29 H ALA 29 -5.367 -6.492 -4.926 230 HA ALA 29 HA ALA 29 -7.592 -4.769 -4.805 231 HB1 ALA 29 HB1 ALA 29 -5.053 -4.434 -6.396 232 HB2 ALA 29 HB2 ALA 29 -6.190 -3.158 -5.967 233 HB3 ALA 29 HB3 ALA 29 -5.272 -3.982 -4.706 234 H LYS 30 H LYS 30 -6.170 -6.621 -7.443 235 HA LYS 30 HA LYS 30 -7.795 -5.600 -9.519 236 HB2 LYS 30 HB2 LYS 30 -5.712 -6.883 -9.899 237 HB3 LYS 30 HB3 LYS 30 -6.502 -8.327 -9.280 238 HG2 LYS 30 HG2 LYS 30 -6.537 -8.480 -11.638 239 HG3 LYS 30 HG3 LYS 30 -8.179 -8.081 -11.131 240 HD2 LYS 30 HD2 LYS 30 -7.650 -6.727 -13.026 241 HD3 LYS 30 HD3 LYS 30 -7.660 -5.684 -11.603 242 HE2 LYS 30 HE2 LYS 30 -5.763 -5.143 -13.004 243 HE3 LYS 30 HE3 LYS 30 -5.206 -5.856 -11.490 244 HZ1 LYS 30 HZ1 LYS 30 -5.518 -7.358 -14.032 245 HZ2 LYS 30 HZ2 LYS 30 -4.818 -7.930 -12.596 246 HZ3 LYS 30 HZ3 LYS 30 -4.052 -6.707 -13.489 247 H LYS 31 H LYS 31 -8.163 -8.260 -7.245 248 HA LYS 31 HA LYS 31 -10.480 -9.401 -8.384 249 HB2 LYS 31 HB2 LYS 31 -9.003 -10.512 -6.704 250 HB3 LYS 31 HB3 LYS 31 -9.651 -9.427 -5.478 251 HG2 LYS 31 HG2 LYS 31 -11.916 -10.331 -5.964 252 HG3 LYS 31 HG3 LYS 31 -11.167 -11.501 -7.050 253 HD2 LYS 31 HD2 LYS 31 -10.640 -11.223 -4.094 254 HD3 LYS 31 HD3 LYS 31 -11.603 -12.485 -4.864 255 HE2 LYS 31 HE2 LYS 31 -9.584 -13.188 -6.119 256 HE3 LYS 31 HE3 LYS 31 -8.651 -11.990 -5.220 257 HZ1 LYS 31 HZ1 LYS 31 -8.419 -14.149 -4.211 258 HZ2 LYS 31 HZ2 LYS 31 -10.099 -14.309 -4.066 259 HZ3 LYS 31 HZ3 LYS 31 -9.282 -13.129 -3.160 260 H MET 32 H MET 32 -10.067 -7.108 -5.694 261 HA MET 32 HA MET 32 -12.862 -6.771 -5.259 262 HB2 MET 32 HB2 MET 32 -10.512 -5.060 -4.423 263 HB3 MET 32 HB3 MET 32 -12.163 -4.822 -3.864 264 HG2 MET 32 HG2 MET 32 -12.130 -7.076 -2.882 265 HG3 MET 32 HG3 MET 32 -10.457 -7.260 -3.403 266 HE1 MET 32 HE1 MET 32 -11.841 -4.156 -0.272 267 HE2 MET 32 HE2 MET 32 -12.186 -4.004 -1.995 268 HE3 MET 32 HE3 MET 32 -12.929 -5.300 -1.057 269 H GLY 33 H GLY 33 -10.562 -5.332 -7.402 270 HA2 GLY 33 HA1 GLY 33 -11.085 -4.198 -9.364 271 HA3 GLY 33 HA2 GLY 33 -12.745 -4.056 -8.809 272 H ASN 34 H ASN 34 -9.528 -2.910 -7.775 273 HA ASN 34 HA ASN 34 -10.607 -0.187 -7.814 274 HB2 ASN 34 HB2 ASN 34 -9.532 0.372 -5.714 275 HB3 ASN 34 HB3 ASN 34 -10.616 -0.987 -5.477 276 HD21 ASN 34 1HD2 ASN 34 -9.782 -3.001 -4.985 277 HD22 ASN 34 2HD2 ASN 34 -8.145 -3.216 -4.480 278 H LEU 35 H LEU 35 -8.632 1.363 -7.362 279 HA LEU 35 HA LEU 35 -6.530 0.560 -9.267 280 HB2 LEU 35 HB2 LEU 35 -7.494 3.323 -8.500 281 HB3 LEU 35 HB3 LEU 35 -6.130 3.007 -9.549 282 HG LEU 35 HG LEU 35 -7.877 3.564 -10.992 283 HD11 LEU 35 2HD1 LEU 35 -6.679 1.599 -11.735 284 HD12 LEU 35 1HD1 LEU 35 -8.368 1.524 -12.239 285 HD13 LEU 35 3HD1 LEU 35 -7.811 0.558 -10.873 286 HD21 LEU 35 3HD2 LEU 35 -9.709 3.456 -9.403 287 HD22 LEU 35 2HD2 LEU 35 -9.669 1.694 -9.453 288 HD23 LEU 35 1HD2 LEU 35 -10.121 2.608 -10.892 289 H ILE 36 H ILE 36 -4.738 -0.045 -8.242 290 HA ILE 36 HA ILE 36 -4.105 1.309 -5.714 291 HB ILE 36 HB ILE 36 -4.714 -1.083 -5.469 292 HG12 ILE 36 2HG1 ILE 36 -1.819 -0.490 -4.832 293 HG13 ILE 36 3HG1 ILE 36 -3.189 0.081 -3.889 294 HG21 ILE 36 2HG2 ILE 36 -3.859 -1.919 -7.591 295 HG22 ILE 36 1HG2 ILE 36 -3.159 -2.808 -6.238 296 HG23 ILE 36 3HG2 ILE 36 -2.208 -1.579 -7.070 297 HD11 ILE 36 3HD1 ILE 36 -2.462 -2.803 -4.336 298 HD12 ILE 36 2HD1 ILE 36 -3.793 -2.204 -3.347 299 HD13 ILE 36 1HD1 ILE 36 -2.126 -1.868 -2.879 300 H LYS 37 H LYS 37 -2.128 2.077 -5.370 301 HA LYS 37 HA LYS 37 -0.120 1.785 -7.508 302 HB2 LYS 37 HB2 LYS 37 -1.131 4.110 -6.061 303 HB3 LYS 37 HB3 LYS 37 0.618 3.976 -5.961 304 HG2 LYS 37 HG2 LYS 37 -0.969 3.999 -8.521 305 HG3 LYS 37 HG3 LYS 37 -0.133 5.389 -7.827 306 HD2 LYS 37 HD2 LYS 37 1.968 3.936 -7.894 307 HD3 LYS 37 HD3 LYS 37 1.047 2.860 -8.945 308 HE2 LYS 37 HE2 LYS 37 1.629 5.777 -9.449 309 HE3 LYS 37 HE3 LYS 37 2.406 4.412 -10.249 310 HZ1 LYS 37 HZ1 LYS 37 0.655 5.413 -11.598 311 HZ2 LYS 37 HZ2 LYS 37 -0.491 5.065 -10.402 312 HZ3 LYS 37 HZ3 LYS 37 0.298 3.799 -11.218 313 H VAL 38 H VAL 38 1.150 0.163 -6.789 314 HA VAL 38 HA VAL 38 1.887 0.079 -3.968 315 HB VAL 38 HB VAL 38 2.984 -2.098 -4.574 316 HG11 VAL 38 2HG1 VAL 38 0.041 -1.821 -5.147 317 HG12 VAL 38 1HG1 VAL 38 0.789 -2.040 -3.564 318 HG13 VAL 38 3HG1 VAL 38 0.867 -3.331 -4.763 319 HG21 VAL 38 3HG2 VAL 38 1.557 -1.693 -7.201 320 HG22 VAL 38 2HG2 VAL 38 2.385 -3.163 -6.685 321 HG23 VAL 38 1HG2 VAL 38 3.305 -1.685 -6.966 322 H GLU 39 H GLU 39 3.764 0.748 -3.236 323 HA GLU 39 HA GLU 39 5.774 1.661 -5.157 324 HB2 GLU 39 HB2 GLU 39 4.998 3.245 -3.437 325 HB3 GLU 39 HB3 GLU 39 5.536 2.144 -2.176 326 HG2 GLU 39 HG2 GLU 39 7.803 2.487 -2.706 327 HG3 GLU 39 HG3 GLU 39 7.405 3.281 -4.228 328 H THR 40 H THR 40 7.954 1.043 -4.995 329 HA THR 40 HA THR 40 8.397 -1.474 -3.538 330 HB THR 40 HB THR 40 9.364 -0.888 -6.341 331 HG1 THR 40 HG1 THR 40 6.973 -1.891 -5.393 332 HG21 THR 40 3HG2 THR 40 10.765 -2.463 -5.086 333 HG22 THR 40 1HG2 THR 40 9.904 -3.272 -6.397 334 HG23 THR 40 2HG2 THR 40 9.343 -3.446 -4.735 335 H GLN 41 H GLN 41 10.040 -1.255 -2.178 336 HA GLN 41 HA GLN 41 12.340 0.405 -2.987 337 HB2 GLN 41 HB2 GLN 41 10.990 1.402 -1.113 338 HB3 GLN 41 HB3 GLN 41 11.364 -0.023 -0.154 339 HG2 GLN 41 HG2 GLN 41 13.811 0.557 -0.551 340 HG3 GLN 41 HG3 GLN 41 13.227 2.119 -1.117 341 HE21 GLN 41 1HE2 GLN 41 12.195 3.504 0.359 342 HE22 GLN 41 2HE2 GLN 41 12.399 3.316 2.067 343 H GLY 42 H GLY 42 14.318 -0.570 -2.818 344 HA2 GLY 42 HA1 GLY 42 14.354 -3.398 -2.170 345 HA3 GLY 42 HA2 GLY 42 15.694 -2.452 -2.805 346 H ALA 43 H ALA 43 16.339 -0.643 -1.155 347 HA ALA 43 HA ALA 43 16.274 -1.618 1.601 348 HB1 ALA 43 HB1 ALA 43 18.695 -1.409 1.847 349 HB2 ALA 43 HB2 ALA 43 18.284 -2.615 0.628 350 HB3 ALA 43 HB3 ALA 43 18.844 -1.017 0.134 351 H THR 44 H THR 44 17.267 0.906 -0.669 352 HA THR 44 HA THR 44 16.110 2.874 1.128 353 HB THR 44 HB THR 44 18.478 2.870 1.782 354 HG1 THR 44 HG1 THR 44 17.441 5.120 0.397 355 HG21 THR 44 3HG2 THR 44 19.483 2.090 -0.300 356 HG22 THR 44 1HG2 THR 44 20.211 3.612 0.212 357 HG23 THR 44 2HG2 THR 44 19.029 3.597 -1.098 358 H GLY 45 H GLY 45 16.996 1.756 -1.979 359 HA2 GLY 45 HA1 GLY 45 16.228 4.233 -3.302 360 HA3 GLY 45 HA2 GLY 45 16.843 2.781 -4.079 361 H ILE 46 H ILE 46 14.305 4.633 -4.119 362 HA ILE 46 HA ILE 46 12.272 2.517 -3.999 363 HB ILE 46 HB ILE 46 11.940 5.506 -4.324 364 HG12 ILE 46 2HG1 ILE 46 11.460 3.738 -1.912 365 HG13 ILE 46 3HG1 ILE 46 12.824 4.833 -2.111 366 HG21 ILE 46 2HG2 ILE 46 9.565 5.078 -3.880 367 HG22 ILE 46 1HG2 ILE 46 9.887 3.344 -3.870 368 HG23 ILE 46 3HG2 ILE 46 10.116 4.275 -5.350 369 HD11 ILE 46 3HD1 ILE 46 11.302 6.732 -2.147 370 HD12 ILE 46 2HD1 ILE 46 11.116 5.785 -0.671 371 HD13 ILE 46 1HD1 ILE 46 9.928 5.639 -1.967 372 H GLU 47 H GLU 47 11.464 1.645 -5.814 373 HA GLU 47 HA GLU 47 12.494 2.669 -8.349 374 HB2 GLU 47 HB2 GLU 47 12.702 0.238 -7.726 375 HB3 GLU 47 HB3 GLU 47 10.955 0.113 -7.878 376 HG2 GLU 47 HG2 GLU 47 11.062 0.670 -10.210 377 HG3 GLU 47 HG3 GLU 47 12.791 0.994 -10.091 378 H ASN 48 H ASN 48 9.366 1.584 -7.026 379 HA ASN 48 HA ASN 48 8.003 3.083 -9.135 380 HB2 ASN 48 HB2 ASN 48 7.323 0.689 -8.539 381 HB3 ASN 48 HB3 ASN 48 6.692 1.348 -7.034 382 HD21 ASN 48 1HD2 ASN 48 4.923 2.790 -7.114 383 HD22 ASN 48 2HD2 ASN 48 3.870 2.829 -8.486 384 H GLU 49 H GLU 49 8.747 5.057 -8.165 385 HA GLU 49 HA GLU 49 8.130 5.857 -5.531 386 HB2 GLU 49 HB2 GLU 49 8.569 7.655 -7.919 387 HB3 GLU 49 HB3 GLU 49 8.823 8.056 -6.225 388 HG2 GLU 49 HG2 GLU 49 10.679 6.546 -6.085 389 HG3 GLU 49 HG3 GLU 49 10.370 5.951 -7.715 390 H LEU 50 H LEU 50 6.220 6.410 -4.663 391 HA LEU 50 HA LEU 50 3.940 7.030 -6.333 392 HB2 LEU 50 HB2 LEU 50 4.237 7.207 -3.330 393 HB3 LEU 50 HB3 LEU 50 2.728 7.264 -4.220 394 HG LEU 50 HG LEU 50 4.577 4.889 -3.989 395 HD11 LEU 50 2HD1 LEU 50 1.802 5.374 -2.924 396 HD12 LEU 50 1HD1 LEU 50 3.286 5.335 -1.974 397 HD13 LEU 50 3HD1 LEU 50 2.717 3.873 -2.781 398 HD21 LEU 50 3HD2 LEU 50 2.835 3.672 -5.220 399 HD22 LEU 50 2HD2 LEU 50 3.572 4.946 -6.192 400 HD23 LEU 50 1HD2 LEU 50 1.976 5.190 -5.481 401 H THR 51 H THR 51 3.699 8.973 -7.223 402 HA THR 51 HA THR 51 5.179 11.223 -6.102 403 HB THR 51 HB THR 51 4.623 12.382 -8.209 404 HG1 THR 51 HG1 THR 51 3.142 9.989 -8.656 405 HG21 THR 51 3HG2 THR 51 5.782 9.619 -8.580 406 HG22 THR 51 1HG2 THR 51 6.665 11.052 -8.053 407 HG23 THR 51 2HG2 THR 51 5.991 10.981 -9.681 408 H GLU 52 H GLU 52 4.023 13.429 -6.455 409 HA GLU 52 HA GLU 52 2.100 13.777 -4.526 410 HB2 GLU 52 HB2 GLU 52 3.487 15.549 -5.655 411 HB3 GLU 52 HB3 GLU 52 2.381 15.471 -7.017 412 HG2 GLU 52 HG2 GLU 52 1.759 17.341 -5.715 413 HG3 GLU 52 HG3 GLU 52 0.541 16.096 -5.440 414 H LYS 53 H LYS 53 1.611 13.399 -8.003 415 HA LYS 53 HA LYS 53 -1.145 13.771 -8.110 416 HB2 LYS 53 HB2 LYS 53 0.394 13.709 -10.058 417 HB3 LYS 53 HB3 LYS 53 0.571 11.976 -9.850 418 HG2 LYS 53 HG2 LYS 53 -2.162 13.088 -10.226 419 HG3 LYS 53 HG3 LYS 53 -1.083 12.999 -11.616 420 HD2 LYS 53 HD2 LYS 53 -1.865 10.692 -9.834 421 HD3 LYS 53 HD3 LYS 53 -2.501 11.012 -11.449 422 HE2 LYS 53 HE2 LYS 53 0.380 10.426 -10.766 423 HE3 LYS 53 HE3 LYS 53 -0.759 9.287 -11.478 424 HZ1 LYS 53 HZ1 LYS 53 0.659 10.234 -13.161 425 HZ2 LYS 53 HZ2 LYS 53 0.207 11.807 -12.727 426 HZ3 LYS 53 HZ3 LYS 53 -0.936 10.754 -13.410 427 H ASP 54 H ASP 54 0.692 10.738 -7.750 428 HA ASP 54 HA ASP 54 -1.557 9.034 -7.719 429 HB2 ASP 54 HB2 ASP 54 1.067 8.491 -6.325 430 HB3 ASP 54 HB3 ASP 54 -0.082 7.309 -6.935 431 H VAL 55 H VAL 55 0.294 10.571 -5.188 432 HA VAL 55 HA VAL 55 -0.826 9.253 -2.993 433 HB VAL 55 HB VAL 55 0.417 12.000 -3.162 434 HG11 VAL 55 2HG1 VAL 55 -0.063 10.236 -0.768 435 HG12 VAL 55 1HG1 VAL 55 -0.896 11.747 -1.125 436 HG13 VAL 55 3HG1 VAL 55 0.830 11.757 -0.765 437 HG21 VAL 55 3HG2 VAL 55 2.451 10.878 -2.430 438 HG22 VAL 55 2HG2 VAL 55 1.869 10.191 -3.945 439 HG23 VAL 55 1HG2 VAL 55 1.609 9.328 -2.429 440 H ASN 56 H ASN 56 -1.790 12.258 -4.614 441 HA ASN 56 HA ASN 56 -3.750 12.865 -2.599 442 HB2 ASN 56 HB2 ASN 56 -3.027 14.123 -5.231 443 HB3 ASN 56 HB3 ASN 56 -4.450 14.639 -4.324 444 HD21 ASN 56 1HD2 ASN 56 -0.998 14.519 -4.413 445 HD22 ASN 56 2HD2 ASN 56 -0.712 15.645 -3.124 446 H ILE 57 H ILE 57 -3.723 11.032 -5.503 447 HA ILE 57 HA ILE 57 -6.583 11.107 -5.848 448 HB ILE 57 HB ILE 57 -4.493 9.295 -7.071 449 HG12 ILE 57 2HG1 ILE 57 -4.247 11.591 -7.796 450 HG13 ILE 57 3HG1 ILE 57 -4.932 10.645 -9.112 451 HG21 ILE 57 2HG2 ILE 57 -6.251 8.672 -8.694 452 HG22 ILE 57 1HG2 ILE 57 -7.429 9.544 -7.712 453 HG23 ILE 57 3HG2 ILE 57 -6.604 8.132 -7.053 454 HD11 ILE 57 3HD1 ILE 57 -6.438 12.492 -7.280 455 HD12 ILE 57 2HD1 ILE 57 -7.156 11.511 -8.557 456 HD13 ILE 57 1HD1 ILE 57 -6.015 12.793 -8.964 457 H GLY 58 H GLY 58 -4.186 8.875 -4.518 458 HA2 GLY 58 HA1 GLY 58 -5.930 6.770 -3.872 459 HA3 GLY 58 HA2 GLY 58 -4.369 7.075 -3.127 460 H GLU 59 H GLU 59 -7.219 6.341 -2.212 461 HA GLU 59 HA GLU 59 -7.990 8.458 -0.432 462 HB2 GLU 59 HB2 GLU 59 -8.825 5.550 -0.428 463 HB3 GLU 59 HB3 GLU 59 -9.657 6.872 0.374 464 HG2 GLU 59 HG2 GLU 59 -9.293 6.688 -2.605 465 HG3 GLU 59 HG3 GLU 59 -10.706 6.078 -1.746 466 H VAL 60 H VAL 60 -6.944 5.114 0.153 467 HA VAL 60 HA VAL 60 -5.917 5.955 2.772 468 HB VAL 60 HB VAL 60 -6.051 3.531 3.378 469 HG11 VAL 60 2HG1 VAL 60 -8.627 4.837 2.521 470 HG12 VAL 60 1HG1 VAL 60 -7.792 5.073 4.058 471 HG13 VAL 60 3HG1 VAL 60 -8.486 3.500 3.661 472 HG21 VAL 60 3HG2 VAL 60 -7.428 2.052 1.986 473 HG22 VAL 60 2HG2 VAL 60 -5.973 2.578 1.139 474 HG23 VAL 60 1HG2 VAL 60 -7.531 3.313 0.757 475 H VAL 61 H VAL 61 -3.931 5.144 3.507 476 HA VAL 61 HA VAL 61 -2.125 4.254 1.348 477 HB VAL 61 HB VAL 61 -1.241 5.644 3.870 478 HG11 VAL 61 2HG1 VAL 61 0.757 6.144 2.490 479 HG12 VAL 61 1HG1 VAL 61 0.058 5.181 1.188 480 HG13 VAL 61 3HG1 VAL 61 0.479 4.417 2.720 481 HG21 VAL 61 3HG2 VAL 61 -2.761 7.164 2.750 482 HG22 VAL 61 2HG2 VAL 61 -1.912 6.924 1.222 483 HG23 VAL 61 1HG2 VAL 61 -1.099 7.725 2.566 484 H ILE 62 H ILE 62 -1.617 2.166 1.573 485 HA ILE 62 HA ILE 62 -1.594 1.035 4.285 486 HB ILE 62 HB ILE 62 -1.576 -0.395 1.612 487 HG12 ILE 62 2HG1 ILE 62 -3.798 -0.093 3.649 488 HG13 ILE 62 3HG1 ILE 62 -3.709 0.770 2.117 489 HG21 ILE 62 2HG2 ILE 62 -2.011 -2.420 2.934 490 HG22 ILE 62 1HG2 ILE 62 -1.820 -1.482 4.415 491 HG23 ILE 62 3HG2 ILE 62 -0.451 -1.695 3.323 492 HD11 ILE 62 3HD1 ILE 62 -3.892 -1.331 0.909 493 HD12 ILE 62 2HD1 ILE 62 -5.248 -1.120 2.018 494 HD13 ILE 62 1HD1 ILE 62 -3.928 -2.216 2.435 495 H PHE 63 H PHE 63 0.258 0.399 5.223 496 HA PHE 63 HA PHE 63 2.686 0.430 3.556 497 HB2 PHE 63 HB2 PHE 63 2.329 1.160 6.462 498 HB3 PHE 63 HB3 PHE 63 3.905 0.883 5.730 499 HD1 PHE 63 HD2 PHE 63 4.519 2.325 3.709 500 HD2 PHE 63 HD1 PHE 63 1.354 3.261 6.395 501 HE1 PHE 63 HE2 PHE 63 4.602 4.675 2.985 502 HE2 PHE 63 HE1 PHE 63 1.432 5.609 5.677 503 HZ PHE 63 HZ PHE 63 3.057 6.318 3.968 504 H ALA 64 H ALA 64 3.229 -1.596 3.112 505 HA ALA 64 HA ALA 64 3.378 -3.462 5.389 506 HB1 ALA 64 HB1 ALA 64 3.225 -5.296 3.770 507 HB2 ALA 64 HB2 ALA 64 1.807 -4.252 3.681 508 HB3 ALA 64 HB3 ALA 64 3.072 -4.129 2.459 509 H VAL 65 H VAL 65 5.425 -2.909 6.039 510 HA VAL 65 HA VAL 65 7.575 -3.281 4.101 511 HB VAL 65 HB VAL 65 8.659 -1.151 4.915 512 HG11 VAL 65 2HG1 VAL 65 7.357 0.298 3.408 513 HG12 VAL 65 1HG1 VAL 65 6.088 -0.926 3.357 514 HG13 VAL 65 3HG1 VAL 65 7.686 -1.284 2.703 515 HG21 VAL 65 3HG2 VAL 65 7.332 -0.770 6.906 516 HG22 VAL 65 2HG2 VAL 65 5.872 -0.606 5.928 517 HG23 VAL 65 1HG2 VAL 65 7.160 0.591 5.797 518 H ASP 66 H ASP 66 9.396 -4.066 4.883 519 HA ASP 66 HA ASP 66 9.722 -4.412 7.775 520 HB2 ASP 66 HB2 ASP 66 10.135 -6.432 6.572 521 HB3 ASP 66 HB3 ASP 66 11.106 -5.597 5.366 522 H THR 67 H THR 67 10.729 -2.539 5.126 523 HA THR 67 HA THR 67 12.897 -1.307 6.689 524 HB THR 67 HB THR 67 13.761 -2.164 4.610 525 HG1 THR 67 HG1 THR 67 13.705 0.329 3.600 526 HG21 THR 67 3HG2 THR 67 12.861 -1.471 2.427 527 HG22 THR 67 1HG2 THR 67 11.546 -0.629 3.250 528 HG23 THR 67 2HG2 THR 67 11.683 -2.383 3.370 529 H LYS 68 H LYS 68 13.007 1.064 6.590 530 HA LYS 68 HA LYS 68 10.361 2.154 6.878 531 HB2 LYS 68 HB2 LYS 68 11.373 4.077 7.806 532 HB3 LYS 68 HB3 LYS 68 12.336 2.720 8.370 533 HG2 LYS 68 HG2 LYS 68 14.070 3.206 6.800 534 HG3 LYS 68 HG3 LYS 68 13.073 4.429 6.006 535 HD2 LYS 68 HD2 LYS 68 13.048 5.709 8.134 536 HD3 LYS 68 HD3 LYS 68 14.172 4.529 8.811 537 HE2 LYS 68 HE2 LYS 68 15.815 5.089 7.102 538 HE3 LYS 68 HE3 LYS 68 14.686 6.232 6.373 539 HZ1 LYS 68 HZ1 LYS 68 14.721 7.506 8.434 540 HZ2 LYS 68 HZ2 LYS 68 16.271 7.370 7.768 541 HZ3 LYS 68 HZ3 LYS 68 15.841 6.419 9.103 542 H VAL 69 H VAL 69 9.741 4.219 5.877 543 HA VAL 69 HA VAL 69 10.688 4.360 3.093 544 HB VAL 69 HB VAL 69 8.453 5.009 2.400 545 HG11 VAL 69 2HG1 VAL 69 7.251 2.921 2.816 546 HG12 VAL 69 1HG1 VAL 69 8.386 2.526 4.106 547 HG13 VAL 69 3HG1 VAL 69 8.948 2.626 2.438 548 HG21 VAL 69 3HG2 VAL 69 7.777 6.182 4.435 549 HG22 VAL 69 2HG2 VAL 69 7.643 4.642 5.283 550 HG23 VAL 69 1HG2 VAL 69 6.562 5.004 3.938 551 H ARG 70 H ARG 70 10.765 6.432 2.122 552 HA ARG 70 HA ARG 70 10.999 8.641 4.002 553 HB2 ARG 70 HB2 ARG 70 12.768 8.548 2.383 554 HB3 ARG 70 HB3 ARG 70 11.617 8.406 1.055 555 HG2 ARG 70 HG2 ARG 70 10.752 10.701 1.859 556 HG3 ARG 70 HG3 ARG 70 12.294 10.807 2.709 557 HD2 ARG 70 HD2 ARG 70 13.495 10.993 0.778 558 HD3 ARG 70 HD3 ARG 70 12.340 10.046 -0.160 559 HE ARG 70 HE ARG 70 11.101 12.440 0.611 560 HH11 ARG 70 2HH1 ARG 70 13.772 11.410 -1.427 561 HH12 ARG 70 1HH1 ARG 70 13.490 12.639 -2.623 562 HH21 ARG 70 2HH2 ARG 70 10.760 14.074 -0.960 563 HH22 ARG 70 1HH2 ARG 70 11.790 14.142 -2.360 564 H ASN 71 H ASN 71 9.078 7.651 1.209 565 HA ASN 71 HA ASN 71 7.869 10.115 0.691 566 HB2 ASN 71 HB2 ASN 71 7.048 7.309 -0.019 567 HB3 ASN 71 HB3 ASN 71 6.141 8.725 -0.554 568 HD21 ASN 71 1HD2 ASN 71 7.530 6.799 -2.205 569 HD22 ASN 71 2HD2 ASN 71 8.735 7.695 -3.069 570 H LYS 72 H LYS 72 7.346 8.130 3.322 571 HA LYS 72 HA LYS 72 4.670 8.372 3.947 572 HB2 LYS 72 HB2 LYS 72 6.426 7.187 5.300 573 HB3 LYS 72 HB3 LYS 72 6.940 8.753 5.910 574 HG2 LYS 72 HG2 LYS 72 4.754 9.090 6.922 575 HG3 LYS 72 HG3 LYS 72 4.202 7.547 6.268 576 HD2 LYS 72 HD2 LYS 72 4.820 7.318 8.614 577 HD3 LYS 72 HD3 LYS 72 5.904 6.381 7.585 578 HE2 LYS 72 HE2 LYS 72 7.227 7.488 9.239 579 HE3 LYS 72 HE3 LYS 72 7.526 8.270 7.687 580 HZ1 LYS 72 HZ1 LYS 72 7.272 10.004 9.203 581 HZ2 LYS 72 HZ2 LYS 72 5.957 9.284 9.984 582 HZ3 LYS 72 HZ3 LYS 72 5.763 9.936 8.427 583 H GLU 73 H GLU 73 7.105 10.827 3.780 584 HA GLU 73 HA GLU 73 6.295 12.964 5.226 585 HB2 GLU 73 HB2 GLU 73 6.864 13.116 2.259 586 HB3 GLU 73 HB3 GLU 73 7.050 14.412 3.428 587 HG2 GLU 73 HG2 GLU 73 8.995 13.556 4.272 588 HG3 GLU 73 HG3 GLU 73 8.608 11.903 3.794 589 H ARG 74 H ARG 74 4.793 11.887 2.205 590 HA ARG 74 HA ARG 74 2.896 14.078 2.282 591 HB2 ARG 74 HB2 ARG 74 2.207 13.246 0.073 592 HB3 ARG 74 HB3 ARG 74 3.938 13.526 0.163 593 HG2 ARG 74 HG2 ARG 74 3.770 10.900 0.856 594 HG3 ARG 74 HG3 ARG 74 2.444 11.056 -0.301 595 HD2 ARG 74 HD2 ARG 74 4.394 10.458 -1.539 596 HD3 ARG 74 HD3 ARG 74 4.078 12.161 -1.863 597 HE ARG 74 HE ARG 74 6.011 11.518 0.232 598 HH11 ARG 74 2HH1 ARG 74 5.403 12.603 -3.027 599 HH12 ARG 74 1HH1 ARG 74 7.008 13.233 -3.266 600 HH21 ARG 74 2HH2 ARG 74 8.146 12.388 -0.054 601 HH22 ARG 74 1HH2 ARG 74 8.541 13.126 -1.578 602 H PHE 75 H PHE 75 2.966 10.662 2.979 603 HA PHE 75 HA PHE 75 0.097 10.416 3.069 604 HB2 PHE 75 HB2 PHE 75 2.146 8.495 4.175 605 HB3 PHE 75 HB3 PHE 75 0.487 8.153 3.712 606 HD1 PHE 75 HD1 PHE 75 0.036 8.950 1.120 607 HD2 PHE 75 HD2 PHE 75 3.717 7.628 2.784 608 HE1 PHE 75 HE1 PHE 75 0.800 8.269 -1.116 609 HE2 PHE 75 HE2 PHE 75 4.492 6.950 0.552 610 HZ PHE 75 HZ PHE 75 3.031 7.270 -1.402 611 H ASP 76 H ASP 76 2.449 11.674 5.087 612 HA ASP 76 HA ASP 76 1.758 10.763 7.636 613 HB2 ASP 76 HB2 ASP 76 3.436 12.802 6.508 614 HB3 ASP 76 HB3 ASP 76 2.566 13.460 7.890 615 H GLY 77 H GLY 77 0.244 13.142 5.601 616 HA2 GLY 77 HA1 GLY 77 -1.583 13.857 7.801 617 HA3 GLY 77 HA2 GLY 77 -1.343 14.805 6.339 618 H LYS 78 H LYS 78 -1.599 11.378 6.078 619 HA LYS 78 HA LYS 78 -4.347 11.660 5.049 620 HB2 LYS 78 HB2 LYS 78 -2.077 10.011 3.919 621 HB3 LYS 78 HB3 LYS 78 -3.747 9.893 3.381 622 HG2 LYS 78 HG2 LYS 78 -3.714 12.145 2.574 623 HG3 LYS 78 HG3 LYS 78 -2.119 12.422 3.273 624 HD2 LYS 78 HD2 LYS 78 -1.966 12.045 0.870 625 HD3 LYS 78 HD3 LYS 78 -1.167 10.751 1.762 626 HE2 LYS 78 HE2 LYS 78 -2.438 9.824 -0.070 627 HE3 LYS 78 HE3 LYS 78 -3.156 9.342 1.457 628 HZ1 LYS 78 HZ1 LYS 78 -4.132 11.629 -0.170 629 HZ2 LYS 78 HZ2 LYS 78 -4.897 10.932 1.172 630 HZ3 LYS 78 HZ3 LYS 78 -4.771 10.064 -0.280 631 H VAL 79 H VAL 79 -5.212 9.234 4.718 632 HA VAL 79 HA VAL 79 -5.106 8.092 7.403 633 HB VAL 79 HB VAL 79 -6.893 7.317 5.087 634 HG11 VAL 79 2HG1 VAL 79 -8.273 6.261 6.810 635 HG12 VAL 79 1HG1 VAL 79 -7.076 6.697 8.032 636 HG13 VAL 79 3HG1 VAL 79 -6.656 5.562 6.748 637 HG21 VAL 79 3HG2 VAL 79 -7.289 9.633 5.713 638 HG22 VAL 79 2HG2 VAL 79 -7.451 9.164 7.407 639 HG23 VAL 79 1HG2 VAL 79 -8.640 8.619 6.222 640 H VAL 80 H VAL 80 -3.604 6.574 7.765 641 HA VAL 80 HA VAL 80 -2.922 4.777 5.536 642 HB VAL 80 HB VAL 80 -0.681 4.696 6.160 643 HG11 VAL 80 2HG1 VAL 80 -1.213 6.818 5.108 644 HG12 VAL 80 1HG1 VAL 80 0.099 7.013 6.271 645 HG13 VAL 80 3HG1 VAL 80 -1.532 7.540 6.686 646 HG21 VAL 80 3HG2 VAL 80 -1.449 5.943 8.790 647 HG22 VAL 80 2HG2 VAL 80 0.209 5.634 8.270 648 HG23 VAL 80 1HG2 VAL 80 -0.906 4.288 8.505 649 H LEU 81 H LEU 81 -2.170 2.658 6.141 650 HA LEU 81 HA LEU 81 -2.859 1.724 8.819 651 HB2 LEU 81 HB2 LEU 81 -4.843 1.434 7.252 652 HB3 LEU 81 HB3 LEU 81 -3.861 0.313 6.337 653 HG LEU 81 HG LEU 81 -5.546 -0.674 7.978 654 HD11 LEU 81 2HD1 LEU 81 -3.783 -2.008 6.976 655 HD12 LEU 81 1HD1 LEU 81 -4.039 -2.475 8.657 656 HD13 LEU 81 3HD1 LEU 81 -2.652 -1.478 8.219 657 HD21 LEU 81 3HD2 LEU 81 -5.108 0.834 9.841 658 HD22 LEU 81 2HD2 LEU 81 -3.459 0.221 9.963 659 HD23 LEU 81 1HD2 LEU 81 -4.824 -0.842 10.305 660 H GLU 82 H GLU 82 -1.080 0.732 9.525 661 HA GLU 82 HA GLU 82 0.853 -0.256 7.579 662 HB2 GLU 82 HB2 GLU 82 1.148 0.245 10.546 663 HB3 GLU 82 HB3 GLU 82 2.439 -0.179 9.439 664 HG2 GLU 82 HG2 GLU 82 2.068 1.920 8.218 665 HG3 GLU 82 HG3 GLU 82 0.812 2.348 9.379 666 H VAL 83 H VAL 83 1.382 -2.327 7.368 667 HA VAL 83 HA VAL 83 0.638 -4.262 9.438 668 HB VAL 83 HB VAL 83 -0.088 -5.870 7.631 669 HG11 VAL 83 2HG1 VAL 83 -1.719 -4.822 9.072 670 HG12 VAL 83 1HG1 VAL 83 -2.356 -4.963 7.432 671 HG13 VAL 83 3HG1 VAL 83 -1.773 -3.406 8.021 672 HG21 VAL 83 3HG2 VAL 83 -0.200 -3.362 5.961 673 HG22 VAL 83 2HG2 VAL 83 -0.874 -4.927 5.507 674 HG23 VAL 83 1HG2 VAL 83 0.868 -4.742 5.709 675 HA PRO 84 HA PRO 84 4.573 -6.194 8.468 676 HB2 PRO 84 HB2 PRO 84 3.145 -8.782 8.249 677 HB3 PRO 84 HB3 PRO 84 4.485 -8.325 9.307 678 HG2 PRO 84 HG2 PRO 84 2.016 -8.628 10.272 679 HG3 PRO 84 HG3 PRO 84 3.089 -7.353 10.878 680 HD2 PRO 84 HD2 PRO 84 0.791 -7.152 8.970 681 HD3 PRO 84 HD3 PRO 84 1.276 -6.047 10.274 682 H VAL 85 H VAL 85 5.711 -6.861 6.643 683 HA VAL 85 HA VAL 85 4.482 -6.352 4.165 684 HB VAL 85 HB VAL 85 6.868 -5.949 4.577 685 HG11 VAL 85 2HG1 VAL 85 7.130 -8.949 4.545 686 HG12 VAL 85 1HG1 VAL 85 7.413 -7.880 5.918 687 HG13 VAL 85 3HG1 VAL 85 8.473 -7.807 4.510 688 HG21 VAL 85 3HG2 VAL 85 7.731 -6.819 2.431 689 HG22 VAL 85 2HG2 VAL 85 6.129 -6.090 2.288 690 HG23 VAL 85 1HG2 VAL 85 6.301 -7.845 2.305 691 H SER 86 H SER 86 4.940 -9.291 5.947 692 HA SER 86 HA SER 86 4.494 -11.076 3.770 693 HB2 SER 86 HB2 SER 86 4.141 -11.625 6.719 694 HB3 SER 86 HB3 SER 86 4.472 -12.797 5.440 695 HG SER 86 HG SER 86 6.442 -12.416 6.278 696 H ALA 87 H ALA 87 2.411 -9.140 5.672 697 HA ALA 87 HA ALA 87 0.182 -10.845 5.904 698 HB1 ALA 87 HB1 ALA 87 0.169 -7.832 5.863 699 HB2 ALA 87 HB2 ALA 87 -1.079 -8.889 6.525 700 HB3 ALA 87 HB3 ALA 87 0.516 -8.829 7.275 701 HA PRO 88 HA PRO 88 -1.713 -8.641 2.032 702 HB2 PRO 88 HB2 PRO 88 0.008 -7.465 0.278 703 HB3 PRO 88 HB3 PRO 88 -0.800 -6.591 1.585 704 HG2 PRO 88 HG2 PRO 88 1.975 -7.710 1.484 705 HG3 PRO 88 HG3 PRO 88 1.426 -6.138 2.098 706 HD2 PRO 88 HD2 PRO 88 1.981 -8.196 3.741 707 HD3 PRO 88 HD3 PRO 88 0.681 -7.039 4.094 708 H ILE 89 H ILE 89 1.054 -10.582 2.178 709 HA ILE 89 HA ILE 89 1.040 -11.565 -0.498 710 HB ILE 89 HB ILE 89 2.145 -12.764 2.046 711 HG12 ILE 89 2HG1 ILE 89 3.488 -11.356 -0.271 712 HG13 ILE 89 3HG1 ILE 89 3.213 -10.669 1.325 713 HG21 ILE 89 2HG2 ILE 89 3.415 -14.284 0.573 714 HG22 ILE 89 1HG2 ILE 89 2.493 -13.682 -0.806 715 HG23 ILE 89 3HG2 ILE 89 1.674 -14.552 0.492 716 HD11 ILE 89 3HD1 ILE 89 4.700 -12.337 2.299 717 HD12 ILE 89 2HD1 ILE 89 5.513 -11.393 1.050 718 HD13 ILE 89 1HD1 ILE 89 4.967 -13.033 0.700 719 H LYS 90 H LYS 90 -0.270 -12.765 2.579 720 HA LYS 90 HA LYS 90 -1.721 -14.850 1.135 721 HB2 LYS 90 HB2 LYS 90 -1.355 -14.376 4.095 722 HB3 LYS 90 HB3 LYS 90 -2.264 -15.710 3.402 723 HG2 LYS 90 HG2 LYS 90 0.677 -15.199 3.007 724 HG3 LYS 90 HG3 LYS 90 -0.029 -16.387 4.104 725 HD2 LYS 90 HD2 LYS 90 -1.137 -17.428 2.106 726 HD3 LYS 90 HD3 LYS 90 -0.178 -16.346 1.095 727 HE2 LYS 90 HE2 LYS 90 0.876 -18.536 1.278 728 HE3 LYS 90 HE3 LYS 90 1.874 -17.290 2.031 729 HZ1 LYS 90 HZ1 LYS 90 1.129 -17.978 4.184 730 HZ2 LYS 90 HZ2 LYS 90 1.682 -19.349 3.357 731 HZ3 LYS 90 HZ3 LYS 90 0.016 -19.069 3.515 732 H ASP 91 H ASP 91 -2.289 -11.964 3.076 733 HA ASP 91 HA ASP 91 -5.194 -12.474 2.902 734 HB2 ASP 91 HB2 ASP 91 -4.074 -12.894 5.147 735 HB3 ASP 91 HB3 ASP 91 -3.785 -11.163 5.226 736 H ALA 92 H ALA 92 -3.830 -10.946 1.039 737 HA ALA 92 HA ALA 92 -3.531 -8.233 1.503 738 HB1 ALA 92 HB1 ALA 92 -4.484 -9.515 -1.052 739 HB2 ALA 92 HB2 ALA 92 -3.727 -7.930 -0.888 740 HB3 ALA 92 HB3 ALA 92 -2.801 -9.390 -0.539 741 H GLU 93 H GLU 93 -6.458 -10.020 0.677 742 HA GLU 93 HA GLU 93 -8.027 -7.780 0.005 743 HB2 GLU 93 HB2 GLU 93 -8.845 -10.535 0.942 744 HB3 GLU 93 HB3 GLU 93 -9.958 -9.331 0.303 745 HG2 GLU 93 HG2 GLU 93 -8.756 -9.338 -1.820 746 HG3 GLU 93 HG3 GLU 93 -7.635 -10.540 -1.182 747 H LYS 94 H LYS 94 -7.575 -9.486 3.091 748 HA LYS 94 HA LYS 94 -9.613 -8.022 4.438 749 HB2 LYS 94 HB2 LYS 94 -8.679 -10.229 5.193 750 HB3 LYS 94 HB3 LYS 94 -7.222 -9.380 5.687 751 HG2 LYS 94 HG2 LYS 94 -8.628 -7.983 7.194 752 HG3 LYS 94 HG3 LYS 94 -9.998 -9.016 6.786 753 HD2 LYS 94 HD2 LYS 94 -7.423 -9.888 8.092 754 HD3 LYS 94 HD3 LYS 94 -8.994 -9.725 8.879 755 HE2 LYS 94 HE2 LYS 94 -9.906 -11.510 7.556 756 HE3 LYS 94 HE3 LYS 94 -8.440 -11.596 6.581 757 HZ1 LYS 94 HZ1 LYS 94 -8.725 -12.291 9.453 758 HZ2 LYS 94 HZ2 LYS 94 -7.241 -12.199 8.647 759 HZ3 LYS 94 HZ3 LYS 94 -8.386 -13.351 8.170 760 H VAL 95 H VAL 95 -6.163 -7.596 3.967 761 HA VAL 95 HA VAL 95 -5.753 -5.437 5.714 762 HB VAL 95 HB VAL 95 -4.361 -5.985 3.083 763 HG11 VAL 95 2HG1 VAL 95 -2.499 -4.708 4.043 764 HG12 VAL 95 1HG1 VAL 95 -3.489 -4.339 5.456 765 HG13 VAL 95 3HG1 VAL 95 -3.949 -3.721 3.869 766 HG21 VAL 95 3HG2 VAL 95 -2.648 -7.089 4.479 767 HG22 VAL 95 2HG2 VAL 95 -4.210 -7.910 4.538 768 HG23 VAL 95 1HG2 VAL 95 -3.698 -6.888 5.881 769 H ILE 96 H ILE 96 -6.729 -5.535 2.308 770 HA ILE 96 HA ILE 96 -6.881 -2.761 1.883 771 HB ILE 96 HB ILE 96 -8.418 -5.007 0.559 772 HG12 ILE 96 2HG1 ILE 96 -5.965 -3.474 -0.336 773 HG13 ILE 96 3HG1 ILE 96 -5.950 -5.100 0.340 774 HG21 ILE 96 2HG2 ILE 96 -8.858 -3.415 -1.254 775 HG22 ILE 96 1HG2 ILE 96 -8.091 -2.134 -0.317 776 HG23 ILE 96 3HG2 ILE 96 -9.582 -2.876 0.262 777 HD11 ILE 96 3HD1 ILE 96 -5.757 -5.136 -2.080 778 HD12 ILE 96 2HD1 ILE 96 -7.285 -4.268 -2.227 779 HD13 ILE 96 1HD1 ILE 96 -7.258 -5.897 -1.555 780 H ASN 97 H ASN 97 -9.373 -5.101 2.866 781 HA ASN 97 HA ASN 97 -11.504 -3.278 3.068 782 HB2 ASN 97 HB2 ASN 97 -10.964 -5.967 4.291 783 HB3 ASN 97 HB3 ASN 97 -12.372 -5.037 4.790 784 HD21 ASN 97 1HD2 ASN 97 -10.844 -6.743 2.159 785 HD22 ASN 97 2HD2 ASN 97 -12.254 -6.854 1.165 786 H ALA 98 H ALA 98 -9.048 -4.265 5.404 787 HA ALA 98 HA ALA 98 -10.087 -3.025 7.682 788 HB1 ALA 98 HB1 ALA 98 -7.186 -3.409 6.939 789 HB2 ALA 98 HB2 ALA 98 -7.808 -3.087 8.557 790 HB3 ALA 98 HB3 ALA 98 -8.213 -4.596 7.741 791 H ALA 99 H ALA 99 -8.077 -1.738 5.080 792 HA ALA 99 HA ALA 99 -7.649 0.814 6.250 793 HB1 ALA 99 HB1 ALA 99 -6.866 1.478 4.036 794 HB2 ALA 99 HB2 ALA 99 -6.197 -0.088 4.498 795 HB3 ALA 99 HB3 ALA 99 -7.530 -0.003 3.347 796 H LEU 100 H LEU 100 -10.058 -0.494 4.027 797 HA LEU 100 HA LEU 100 -11.349 1.962 3.446 798 HB2 LEU 100 HB2 LEU 100 -12.453 -0.848 3.395 799 HB3 LEU 100 HB3 LEU 100 -13.223 0.553 2.677 800 HG LEU 100 HG LEU 100 -10.565 -0.606 1.833 801 HD11 LEU 100 2HD1 LEU 100 -11.762 -1.279 -0.194 802 HD12 LEU 100 1HD1 LEU 100 -13.271 -0.697 0.509 803 HD13 LEU 100 3HD1 LEU 100 -12.422 -2.056 1.245 804 HD21 LEU 100 3HD2 LEU 100 -10.673 1.811 1.503 805 HD22 LEU 100 2HD2 LEU 100 -12.201 1.632 0.638 806 HD23 LEU 100 1HD2 LEU 100 -10.718 0.958 -0.040 807 H ALA 101 H ALA 101 -11.658 -0.366 6.023 808 HA ALA 101 HA ALA 101 -14.097 0.593 7.099 809 HB1 ALA 101 HB1 ALA 101 -13.206 -1.635 7.600 810 HB2 ALA 101 HB2 ALA 101 -11.874 -0.897 8.491 811 HB3 ALA 101 HB3 ALA 101 -13.530 -0.715 9.070 812 H LEU 102 H LEU 102 -10.914 1.847 7.165 813 HA LEU 102 HA LEU 102 -11.255 3.327 9.622 814 HB2 LEU 102 HB2 LEU 102 -9.133 3.528 7.486 815 HB3 LEU 102 HB3 LEU 102 -9.094 4.365 9.024 816 HG LEU 102 HG LEU 102 -8.979 1.375 8.629 817 HD11 LEU 102 2HD1 LEU 102 -6.704 1.601 9.486 818 HD12 LEU 102 1HD1 LEU 102 -6.897 3.353 9.546 819 HD13 LEU 102 3HD1 LEU 102 -6.924 2.514 7.995 820 HD21 LEU 102 3HD2 LEU 102 -8.829 3.004 11.163 821 HD22 LEU 102 2HD2 LEU 102 -8.602 1.259 11.034 822 HD23 LEU 102 1HD2 LEU 102 -10.176 1.973 10.678 823 H ILE 103 H ILE 103 -11.856 3.833 6.245 824 HA ILE 103 HA ILE 103 -12.147 6.715 6.695 825 HB ILE 103 HB ILE 103 -12.355 6.876 4.200 826 HG12 ILE 103 2HG1 ILE 103 -11.367 4.014 4.262 827 HG13 ILE 103 3HG1 ILE 103 -13.006 4.494 3.834 828 HG21 ILE 103 2HG2 ILE 103 -9.947 6.602 3.809 829 HG22 ILE 103 1HG2 ILE 103 -9.815 5.710 5.324 830 HG23 ILE 103 3HG2 ILE 103 -10.291 7.407 5.340 831 HD11 ILE 103 3HD1 ILE 103 -11.669 4.049 1.860 832 HD12 ILE 103 2HD1 ILE 103 -10.499 5.266 2.363 833 HD13 ILE 103 1HD1 ILE 103 -12.140 5.747 1.931 834 H ASP 104 H ASP 104 -13.963 3.943 5.403 835 HA ASP 104 HA ASP 104 -16.386 5.632 5.491 836 HB2 ASP 104 HB2 ASP 104 -15.653 4.939 3.206 837 HB3 ASP 104 HB3 ASP 104 -15.858 3.261 3.690 838 H GLU 105 H GLU 105 -14.833 2.904 6.708 839 HA GLU 105 HA GLU 105 -15.410 1.174 8.034 840 HB2 GLU 105 HB2 GLU 105 -17.917 2.809 8.413 841 HB3 GLU 105 HB3 GLU 105 -17.632 1.286 9.244 842 HG2 GLU 105 HG2 GLU 105 -15.496 2.330 10.115 843 HG3 GLU 105 HG3 GLU 105 -16.131 3.865 9.521 844 H LYS 106 H LYS 106 -15.548 0.588 5.466 845 HA LYS 106 HA LYS 106 -18.037 -0.895 5.093 846 HB2 LYS 106 HB2 LYS 106 -15.714 -0.273 3.284 847 HB3 LYS 106 HB3 LYS 106 -16.822 -1.584 2.902 848 HG2 LYS 106 HG2 LYS 106 -18.694 0.036 2.964 849 HG3 LYS 106 HG3 LYS 106 -17.519 1.330 3.210 850 HD2 LYS 106 HD2 LYS 106 -16.533 0.951 1.077 851 HD3 LYS 106 HD3 LYS 106 -17.418 -0.559 0.866 852 HE2 LYS 106 HE2 LYS 106 -18.453 1.119 -0.496 853 HE3 LYS 106 HE3 LYS 106 -19.532 0.746 0.846 854 HZ1 LYS 106 HZ1 LYS 106 -18.746 2.750 1.972 855 HZ2 LYS 106 HZ2 LYS 106 -19.418 3.114 0.455 856 HZ3 LYS 106 HZ3 LYS 106 -17.739 3.108 0.653 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -16.294 2.902 -6.276 2 H2 MET 1 H2 MET 1 -17.672 2.214 -6.981 3 H3 MET 1 H3 MET 1 -16.284 2.479 -7.918 4 HA MET 1 HA MET 1 -16.548 0.578 -5.661 5 HB2 MET 1 HB2 MET 1 -16.295 0.187 -8.642 6 HB3 MET 1 HB3 MET 1 -15.993 -1.099 -7.483 7 HG2 MET 1 HG2 MET 1 -18.322 -0.768 -6.647 8 HG3 MET 1 HG3 MET 1 -18.580 0.337 -7.997 9 HE1 MET 1 HE1 MET 1 -17.502 -4.116 -8.532 10 HE2 MET 1 HE2 MET 1 -16.346 -2.882 -8.029 11 HE3 MET 1 HE3 MET 1 -17.671 -3.338 -6.958 12 H LYS 2 H LYS 2 -14.465 1.796 -8.260 13 HA LYS 2 HA LYS 2 -12.137 0.482 -7.280 14 HB2 LYS 2 HB2 LYS 2 -12.265 2.894 -9.097 15 HB3 LYS 2 HB3 LYS 2 -10.910 1.792 -8.907 16 HG2 LYS 2 HG2 LYS 2 -12.308 -0.018 -9.846 17 HG3 LYS 2 HG3 LYS 2 -13.585 1.166 -10.131 18 HD2 LYS 2 HD2 LYS 2 -11.956 2.469 -11.508 19 HD3 LYS 2 HD3 LYS 2 -10.822 1.129 -11.334 20 HE2 LYS 2 HE2 LYS 2 -11.953 0.906 -13.436 21 HE3 LYS 2 HE3 LYS 2 -12.520 -0.365 -12.355 22 HZ1 LYS 2 HZ1 LYS 2 -13.949 2.178 -12.918 23 HZ2 LYS 2 HZ2 LYS 2 -14.503 0.930 -11.912 24 HZ3 LYS 2 HZ3 LYS 2 -14.339 0.666 -13.575 25 H ARG 3 H ARG 3 -11.692 0.996 -5.177 26 HA ARG 3 HA ARG 3 -11.598 3.727 -4.299 27 HB2 ARG 3 HB2 ARG 3 -11.838 1.411 -2.943 28 HB3 ARG 3 HB3 ARG 3 -10.101 1.655 -2.791 29 HG2 ARG 3 HG2 ARG 3 -11.043 2.669 -0.899 30 HG3 ARG 3 HG3 ARG 3 -10.649 4.001 -1.994 31 HD2 ARG 3 HD2 ARG 3 -13.109 3.582 -2.836 32 HD3 ARG 3 HD3 ARG 3 -13.306 2.885 -1.230 33 HE ARG 3 HE ARG 3 -12.181 5.574 -1.451 34 HH11 ARG 3 2HH1 ARG 3 -14.869 3.507 -0.566 35 HH12 ARG 3 1HH1 ARG 3 -15.741 4.769 0.241 36 HH21 ARG 3 2HH2 ARG 3 -13.313 7.229 -0.414 37 HH22 ARG 3 1HH2 ARG 3 -14.855 6.897 0.340 38 H LYS 4 H LYS 4 -9.729 4.933 -3.833 39 HA LYS 4 HA LYS 4 -7.464 4.253 -5.545 40 HB2 LYS 4 HB2 LYS 4 -7.840 6.775 -3.935 41 HB3 LYS 4 HB3 LYS 4 -6.816 6.535 -5.346 42 HG2 LYS 4 HG2 LYS 4 -9.823 6.469 -5.349 43 HG3 LYS 4 HG3 LYS 4 -8.826 7.834 -5.855 44 HD2 LYS 4 HD2 LYS 4 -8.067 6.734 -7.755 45 HD3 LYS 4 HD3 LYS 4 -8.459 5.140 -7.105 46 HE2 LYS 4 HE2 LYS 4 -9.983 5.958 -8.925 47 HE3 LYS 4 HE3 LYS 4 -10.784 5.482 -7.429 48 HZ1 LYS 4 HZ1 LYS 4 -10.128 8.279 -8.201 49 HZ2 LYS 4 HZ2 LYS 4 -10.966 7.792 -6.806 50 HZ3 LYS 4 HZ3 LYS 4 -11.659 7.559 -8.335 51 H ILE 5 H ILE 5 -5.753 3.260 -4.713 52 HA ILE 5 HA ILE 5 -5.215 3.595 -1.832 53 HB ILE 5 HB ILE 5 -4.878 1.042 -3.408 54 HG12 ILE 5 2HG1 ILE 5 -6.975 1.759 -1.347 55 HG13 ILE 5 3HG1 ILE 5 -7.260 1.618 -3.077 56 HG21 ILE 5 2HG2 ILE 5 -4.603 1.614 -0.458 57 HG22 ILE 5 1HG2 ILE 5 -3.287 1.269 -1.582 58 HG23 ILE 5 3HG2 ILE 5 -4.478 0.022 -1.209 59 HD11 ILE 5 3HD1 ILE 5 -6.382 -0.613 -1.260 60 HD12 ILE 5 2HD1 ILE 5 -6.703 -0.747 -2.989 61 HD13 ILE 5 1HD1 ILE 5 -8.014 -0.357 -1.876 62 H ILE 6 H ILE 6 -3.218 4.342 -1.432 63 HA ILE 6 HA ILE 6 -1.117 3.746 -3.399 64 HB ILE 6 HB ILE 6 0.254 5.501 -2.336 65 HG12 ILE 6 2HG1 ILE 6 -1.033 5.396 -0.106 66 HG13 ILE 6 3HG1 ILE 6 -0.512 6.977 -0.672 67 HG21 ILE 6 2HG2 ILE 6 -1.016 6.017 -4.313 68 HG22 ILE 6 1HG2 ILE 6 -0.987 7.417 -3.240 69 HG23 ILE 6 3HG2 ILE 6 -2.434 6.411 -3.338 70 HD11 ILE 6 3HD1 ILE 6 -2.775 7.416 -1.495 71 HD12 ILE 6 2HD1 ILE 6 -2.756 7.062 0.233 72 HD13 ILE 6 1HD1 ILE 6 -3.287 5.831 -0.913 73 H ALA 7 H ALA 7 0.373 2.303 -2.900 74 HA ALA 7 HA ALA 7 0.635 1.511 -0.081 75 HB1 ALA 7 HB1 ALA 7 0.583 -0.830 -0.695 76 HB2 ALA 7 HB2 ALA 7 -0.898 -0.036 -1.226 77 HB3 ALA 7 HB3 ALA 7 0.371 -0.408 -2.393 78 H VAL 8 H VAL 8 2.649 1.041 0.580 79 HA VAL 8 HA VAL 8 4.760 0.943 -1.474 80 HB VAL 8 HB VAL 8 4.961 2.106 1.315 81 HG11 VAL 8 2HG1 VAL 8 7.051 1.927 -0.856 82 HG12 VAL 8 1HG1 VAL 8 7.022 0.969 0.624 83 HG13 VAL 8 3HG1 VAL 8 7.242 2.717 0.709 84 HG21 VAL 8 3HG2 VAL 8 5.048 3.418 -1.402 85 HG22 VAL 8 2HG2 VAL 8 5.380 4.227 0.131 86 HG23 VAL 8 1HG2 VAL 8 3.771 3.581 -0.194 87 H THR 9 H THR 9 5.672 -0.979 -1.584 88 HA THR 9 HA THR 9 5.672 -2.696 0.793 89 HB THR 9 HB THR 9 6.358 -4.495 -0.884 90 HG1 THR 9 HG1 THR 9 6.507 -2.418 -2.498 91 HG21 THR 9 3HG2 THR 9 4.060 -4.834 -1.664 92 HG22 THR 9 1HG2 THR 9 3.664 -3.167 -1.244 93 HG23 THR 9 2HG2 THR 9 4.086 -4.322 0.022 94 H ALA 10 H ALA 10 7.505 -2.910 1.908 95 HA ALA 10 HA ALA 10 10.064 -2.461 0.541 96 HB1 ALA 10 HB1 ALA 10 10.860 -1.009 2.329 97 HB2 ALA 10 HB2 ALA 10 9.438 -0.317 1.547 98 HB3 ALA 10 HB3 ALA 10 9.287 -1.101 3.119 99 H CYS 11 H CYS 11 11.922 -3.210 1.822 100 HA CYS 11 HA CYS 11 11.374 -4.950 4.062 101 HB2 CYS 11 HB2 CYS 11 10.843 -6.366 2.097 102 HB3 CYS 11 HB3 CYS 11 12.466 -6.095 1.478 103 HG CYS 11 HG CYS 11 12.940 -8.484 2.414 104 H ALA 12 H ALA 12 13.289 -5.584 5.178 105 HA ALA 12 HA ALA 12 15.680 -4.064 4.349 106 HB1 ALA 12 HB1 ALA 12 16.327 -4.147 6.747 107 HB2 ALA 12 HB2 ALA 12 14.826 -3.271 6.450 108 HB3 ALA 12 HB3 ALA 12 14.776 -4.910 7.098 109 H THR 13 H THR 13 14.398 -7.164 4.825 110 HA THR 13 HA THR 13 17.032 -8.375 5.203 111 HB THR 13 HB THR 13 15.599 -10.502 5.500 112 HG1 THR 13 HG1 THR 13 13.579 -8.524 5.958 113 HG21 THR 13 3HG2 THR 13 16.731 -9.366 7.343 114 HG22 THR 13 1HG2 THR 13 15.143 -9.943 7.848 115 HG23 THR 13 2HG2 THR 13 15.386 -8.234 7.485 116 H GLY 14 H GLY 14 14.304 -9.910 3.619 117 HA2 GLY 14 HA1 GLY 14 15.994 -10.419 1.278 118 HA3 GLY 14 HA2 GLY 14 14.485 -11.237 1.667 119 H VAL 15 H VAL 15 15.903 -9.021 -0.340 120 HA VAL 15 HA VAL 15 14.047 -6.941 -0.540 121 HB VAL 15 HB VAL 15 15.754 -8.084 -2.760 122 HG11 VAL 15 2HG1 VAL 15 14.547 -5.335 -2.438 123 HG12 VAL 15 1HG1 VAL 15 14.004 -6.572 -3.572 124 HG13 VAL 15 3HG1 VAL 15 15.605 -5.857 -3.751 125 HG21 VAL 15 3HG2 VAL 15 17.401 -6.398 -2.110 126 HG22 VAL 15 2HG2 VAL 15 17.080 -7.517 -0.786 127 HG23 VAL 15 1HG2 VAL 15 16.370 -5.902 -0.769 128 H ALA 16 H ALA 16 14.040 -10.148 -1.943 129 HA ALA 16 HA ALA 16 12.176 -9.809 -3.983 130 HB1 ALA 16 HB1 ALA 16 13.578 -11.784 -3.753 131 HB2 ALA 16 HB2 ALA 16 12.674 -12.266 -2.316 132 HB3 ALA 16 HB3 ALA 16 11.873 -12.222 -3.888 133 H HIS 17 H HIS 17 11.651 -9.875 -0.567 134 HA HIS 17 HA HIS 17 9.001 -10.855 -0.547 135 HB2 HIS 17 HB2 HIS 17 10.450 -9.056 1.396 136 HB3 HIS 17 HB3 HIS 17 8.802 -9.616 1.656 137 HD1 HIS 17 HD1 HIS 17 8.531 -12.305 1.869 138 HD2 HIS 17 HD2 HIS 17 12.399 -10.792 2.178 139 HE1 HIS 17 HE1 HIS 17 9.895 -14.120 2.952 140 HE2 HIS 17 HE2 HIS 17 12.176 -13.111 3.297 141 H THR 18 H THR 18 10.331 -7.726 -1.297 142 HA THR 18 HA THR 18 8.021 -6.157 -0.938 143 HB THR 18 HB THR 18 9.087 -4.556 -2.501 144 HG1 THR 18 HG1 THR 18 11.302 -6.302 -2.700 145 HG21 THR 18 3HG2 THR 18 11.106 -4.151 -1.179 146 HG22 THR 18 1HG2 THR 18 10.989 -5.774 -0.498 147 HG23 THR 18 2HG2 THR 18 9.743 -4.576 -0.143 148 H TYR 19 H TYR 19 9.339 -7.660 -3.877 149 HA TYR 19 HA TYR 19 7.272 -6.947 -5.611 150 HB2 TYR 19 HB2 TYR 19 9.132 -9.327 -5.679 151 HB3 TYR 19 HB3 TYR 19 8.073 -8.867 -7.005 152 HD1 TYR 19 HD2 TYR 19 8.486 -6.775 -8.249 153 HD2 TYR 19 HD1 TYR 19 11.174 -8.151 -5.255 154 HE1 TYR 19 HE2 TYR 19 10.223 -5.271 -9.125 155 HE2 TYR 19 HE1 TYR 19 12.918 -6.653 -6.127 156 HH TYR 19 HH TYR 19 12.258 -4.170 -8.394 157 H MET 20 H MET 20 7.718 -9.880 -3.657 158 HA MET 20 HA MET 20 5.459 -11.261 -4.550 159 HB2 MET 20 HB2 MET 20 7.215 -12.296 -3.186 160 HB3 MET 20 HB3 MET 20 6.725 -11.318 -1.809 161 HG2 MET 20 HG2 MET 20 4.524 -12.405 -1.826 162 HG3 MET 20 HG3 MET 20 5.046 -13.406 -3.184 163 HE1 MET 20 HE1 MET 20 5.002 -16.048 -0.335 164 HE2 MET 20 HE2 MET 20 3.861 -14.724 -0.559 165 HE3 MET 20 HE3 MET 20 4.450 -15.626 -1.956 166 H ALA 21 H ALA 21 5.831 -9.043 -1.803 167 HA ALA 21 HA ALA 21 3.187 -9.199 -0.872 168 HB1 ALA 21 HB1 ALA 21 5.121 -6.891 -0.672 169 HB2 ALA 21 HB2 ALA 21 3.658 -7.098 0.290 170 HB3 ALA 21 HB3 ALA 21 4.992 -8.237 0.459 171 H ALA 22 H ALA 22 4.739 -6.941 -3.127 172 HA ALA 22 HA ALA 22 2.530 -5.300 -3.631 173 HB1 ALA 22 HB1 ALA 22 4.815 -4.741 -4.311 174 HB2 ALA 22 HB2 ALA 22 4.777 -6.033 -5.511 175 HB3 ALA 22 HB3 ALA 22 3.699 -4.647 -5.673 176 H GLN 23 H GLN 23 3.619 -8.240 -5.302 177 HA GLN 23 HA GLN 23 1.671 -8.194 -7.336 178 HB2 GLN 23 HB2 GLN 23 3.239 -10.482 -6.146 179 HB3 GLN 23 HB3 GLN 23 2.207 -10.642 -7.560 180 HG2 GLN 23 HG2 GLN 23 3.575 -9.105 -8.799 181 HG3 GLN 23 HG3 GLN 23 4.546 -8.762 -7.367 182 HE21 GLN 23 1HE2 GLN 23 6.434 -9.411 -8.386 183 HE22 GLN 23 2HE2 GLN 23 6.791 -11.073 -8.693 184 H ALA 24 H ALA 24 1.724 -9.903 -4.210 185 HA ALA 24 HA ALA 24 -0.772 -11.197 -4.618 186 HB1 ALA 24 HB1 ALA 24 0.946 -12.023 -3.060 187 HB2 ALA 24 HB2 ALA 24 0.634 -10.641 -2.011 188 HB3 ALA 24 HB3 ALA 24 -0.631 -11.837 -2.293 189 H LEU 25 H LEU 25 0.199 -8.231 -2.994 190 HA LEU 25 HA LEU 25 -2.326 -7.530 -1.947 191 HB2 LEU 25 HB2 LEU 25 -0.260 -6.481 -1.221 192 HB3 LEU 25 HB3 LEU 25 -0.010 -5.804 -2.816 193 HG LEU 25 HG LEU 25 -2.030 -4.409 -2.515 194 HD11 LEU 25 2HD1 LEU 25 -2.006 -5.522 0.288 195 HD12 LEU 25 1HD1 LEU 25 -3.233 -5.832 -0.941 196 HD13 LEU 25 3HD1 LEU 25 -3.024 -4.205 -0.294 197 HD21 LEU 25 3HD2 LEU 25 0.236 -3.597 -1.974 198 HD22 LEU 25 2HD2 LEU 25 0.000 -4.121 -0.305 199 HD23 LEU 25 1HD2 LEU 25 -1.013 -2.842 -0.979 200 H LYS 26 H LYS 26 -0.736 -6.671 -5.004 201 HA LYS 26 HA LYS 26 -2.835 -5.058 -6.004 202 HB2 LYS 26 HB2 LYS 26 -0.407 -5.144 -6.761 203 HB3 LYS 26 HB3 LYS 26 -0.830 -6.598 -7.648 204 HG2 LYS 26 HG2 LYS 26 -2.315 -5.396 -9.067 205 HG3 LYS 26 HG3 LYS 26 -2.182 -3.944 -8.069 206 HD2 LYS 26 HD2 LYS 26 0.259 -3.896 -8.603 207 HD3 LYS 26 HD3 LYS 26 -0.013 -5.225 -9.728 208 HE2 LYS 26 HE2 LYS 26 -1.422 -2.569 -9.892 209 HE3 LYS 26 HE3 LYS 26 0.060 -2.946 -10.766 210 HZ1 LYS 26 HZ1 LYS 26 -2.592 -4.239 -11.082 211 HZ2 LYS 26 HZ2 LYS 26 -1.168 -4.841 -11.780 212 HZ3 LYS 26 HZ3 LYS 26 -1.749 -3.311 -12.221 213 H LYS 27 H LYS 27 -2.212 -8.477 -6.042 214 HA LYS 27 HA LYS 27 -4.023 -9.369 -7.959 215 HB2 LYS 27 HB2 LYS 27 -2.416 -10.838 -6.857 216 HB3 LYS 27 HB3 LYS 27 -3.228 -10.611 -5.317 217 HG2 LYS 27 HG2 LYS 27 -3.865 -12.733 -6.131 218 HG3 LYS 27 HG3 LYS 27 -5.258 -11.670 -6.341 219 HD2 LYS 27 HD2 LYS 27 -4.662 -11.365 -8.694 220 HD3 LYS 27 HD3 LYS 27 -3.275 -12.437 -8.481 221 HE2 LYS 27 HE2 LYS 27 -4.871 -14.225 -7.770 222 HE3 LYS 27 HE3 LYS 27 -6.191 -13.145 -8.222 223 HZ1 LYS 27 HZ1 LYS 27 -5.671 -14.708 -9.987 224 HZ2 LYS 27 HZ2 LYS 27 -4.072 -14.145 -10.046 225 HZ3 LYS 27 HZ3 LYS 27 -5.347 -13.116 -10.483 226 H GLY 28 H GLY 28 -4.520 -8.784 -4.485 227 HA2 GLY 28 HA1 GLY 28 -7.259 -9.498 -4.458 228 HA3 GLY 28 HA2 GLY 28 -6.432 -8.551 -3.232 229 H ALA 29 H ALA 29 -5.600 -6.441 -4.948 230 HA ALA 29 HA ALA 29 -7.859 -4.767 -4.839 231 HB1 ALA 29 HB1 ALA 29 -6.485 -3.120 -5.990 232 HB2 ALA 29 HB2 ALA 29 -5.558 -3.926 -4.726 233 HB3 ALA 29 HB3 ALA 29 -5.317 -4.370 -6.415 234 H LYS 30 H LYS 30 -6.299 -6.421 -7.577 235 HA LYS 30 HA LYS 30 -8.145 -5.436 -9.512 236 HB2 LYS 30 HB2 LYS 30 -5.923 -6.270 -10.144 237 HB3 LYS 30 HB3 LYS 30 -6.367 -7.884 -9.604 238 HG2 LYS 30 HG2 LYS 30 -8.100 -7.982 -11.327 239 HG3 LYS 30 HG3 LYS 30 -7.644 -6.367 -11.873 240 HD2 LYS 30 HD2 LYS 30 -5.804 -8.758 -11.834 241 HD3 LYS 30 HD3 LYS 30 -6.676 -8.181 -13.256 242 HE2 LYS 30 HE2 LYS 30 -5.508 -6.060 -13.146 243 HE3 LYS 30 HE3 LYS 30 -4.690 -6.560 -11.666 244 HZ1 LYS 30 HZ1 LYS 30 -3.317 -6.787 -13.685 245 HZ2 LYS 30 HZ2 LYS 30 -4.409 -7.945 -14.277 246 HZ3 LYS 30 HZ3 LYS 30 -3.531 -8.254 -12.860 247 H LYS 31 H LYS 31 -8.026 -8.236 -7.426 248 HA LYS 31 HA LYS 31 -10.041 -9.798 -8.572 249 HB2 LYS 31 HB2 LYS 31 -8.530 -10.683 -6.914 250 HB3 LYS 31 HB3 LYS 31 -9.090 -9.522 -5.718 251 HG2 LYS 31 HG2 LYS 31 -11.227 -10.607 -5.585 252 HG3 LYS 31 HG3 LYS 31 -10.796 -11.697 -6.909 253 HD2 LYS 31 HD2 LYS 31 -9.095 -12.735 -5.594 254 HD3 LYS 31 HD3 LYS 31 -9.271 -11.528 -4.320 255 HE2 LYS 31 HE2 LYS 31 -11.401 -13.490 -5.152 256 HE3 LYS 31 HE3 LYS 31 -10.330 -13.685 -3.766 257 HZ1 LYS 31 HZ1 LYS 31 -12.273 -12.785 -2.894 258 HZ2 LYS 31 HZ2 LYS 31 -12.467 -11.682 -4.164 259 HZ3 LYS 31 HZ3 LYS 31 -11.236 -11.445 -3.017 260 H MET 32 H MET 32 -10.183 -7.124 -6.291 261 HA MET 32 HA MET 32 -13.085 -7.404 -6.120 262 HB2 MET 32 HB2 MET 32 -11.125 -5.709 -4.576 263 HB3 MET 32 HB3 MET 32 -12.873 -5.618 -4.360 264 HG2 MET 32 HG2 MET 32 -12.865 -8.044 -3.811 265 HG3 MET 32 HG3 MET 32 -11.106 -8.006 -3.876 266 HE1 MET 32 HE1 MET 32 -9.566 -6.964 -2.055 267 HE2 MET 32 HE2 MET 32 -10.201 -5.417 -2.612 268 HE3 MET 32 HE3 MET 32 -10.134 -5.767 -0.887 269 H GLY 33 H GLY 33 -10.745 -5.597 -7.811 270 HA2 GLY 33 HA1 GLY 33 -11.241 -4.269 -9.674 271 HA3 GLY 33 HA2 GLY 33 -12.894 -4.120 -9.101 272 H ASN 34 H ASN 34 -9.715 -3.311 -7.713 273 HA ASN 34 HA ASN 34 -10.703 -0.562 -7.308 274 HB2 ASN 34 HB2 ASN 34 -8.896 -2.213 -5.533 275 HB3 ASN 34 HB3 ASN 34 -9.128 -0.478 -5.341 276 HD21 ASN 34 1HD2 ASN 34 -10.525 -3.615 -4.954 277 HD22 ASN 34 2HD2 ASN 34 -11.910 -3.115 -4.050 278 H LEU 35 H LEU 35 -8.774 0.990 -6.939 279 HA LEU 35 HA LEU 35 -6.737 0.400 -8.986 280 HB2 LEU 35 HB2 LEU 35 -7.861 3.060 -8.102 281 HB3 LEU 35 HB3 LEU 35 -6.525 2.869 -9.219 282 HG LEU 35 HG LEU 35 -9.360 1.947 -9.688 283 HD11 LEU 35 2HD1 LEU 35 -7.768 4.207 -10.884 284 HD12 LEU 35 1HD1 LEU 35 -9.130 4.362 -9.776 285 HD13 LEU 35 3HD1 LEU 35 -9.379 3.705 -11.393 286 HD21 LEU 35 3HD2 LEU 35 -8.590 1.443 -11.956 287 HD22 LEU 35 2HD2 LEU 35 -7.737 0.471 -10.756 288 HD23 LEU 35 1HD2 LEU 35 -6.942 1.863 -11.491 289 H ILE 36 H ILE 36 -4.790 0.030 -8.151 290 HA ILE 36 HA ILE 36 -4.097 1.366 -5.630 291 HB ILE 36 HB ILE 36 -4.748 -0.995 -5.233 292 HG12 ILE 36 2HG1 ILE 36 -1.811 -0.432 -4.768 293 HG13 ILE 36 3HG1 ILE 36 -3.129 0.174 -3.772 294 HG21 ILE 36 2HG2 ILE 36 -2.355 -1.631 -6.955 295 HG22 ILE 36 1HG2 ILE 36 -4.043 -1.966 -7.343 296 HG23 ILE 36 3HG2 ILE 36 -3.265 -2.797 -5.995 297 HD11 ILE 36 3HD1 ILE 36 -2.076 -1.728 -2.720 298 HD12 ILE 36 2HD1 ILE 36 -2.370 -2.713 -4.155 299 HD13 ILE 36 1HD1 ILE 36 -3.728 -2.132 -3.190 300 H LYS 37 H LYS 37 -2.095 2.167 -5.470 301 HA LYS 37 HA LYS 37 -0.224 1.634 -7.680 302 HB2 LYS 37 HB2 LYS 37 -0.954 4.118 -6.241 303 HB3 LYS 37 HB3 LYS 37 0.754 3.906 -6.601 304 HG2 LYS 37 HG2 LYS 37 -1.494 3.858 -8.602 305 HG3 LYS 37 HG3 LYS 37 -0.357 5.183 -8.338 306 HD2 LYS 37 HD2 LYS 37 1.491 3.568 -8.894 307 HD3 LYS 37 HD3 LYS 37 0.244 2.415 -9.373 308 HE2 LYS 37 HE2 LYS 37 1.060 3.553 -11.328 309 HE3 LYS 37 HE3 LYS 37 -0.596 4.068 -11.010 310 HZ1 LYS 37 HZ1 LYS 37 0.240 6.094 -10.022 311 HZ2 LYS 37 HZ2 LYS 37 0.862 5.921 -11.590 312 HZ3 LYS 37 HZ3 LYS 37 1.842 5.587 -10.250 313 H VAL 38 H VAL 38 1.072 0.088 -6.936 314 HA VAL 38 HA VAL 38 2.030 0.250 -4.175 315 HB VAL 38 HB VAL 38 2.448 -2.040 -6.096 316 HG11 VAL 38 2HG1 VAL 38 3.966 -1.987 -4.202 317 HG12 VAL 38 1HG1 VAL 38 2.824 -3.322 -4.035 318 HG13 VAL 38 3HG1 VAL 38 2.603 -1.849 -3.090 319 HG21 VAL 38 3HG2 VAL 38 0.562 -3.158 -4.997 320 HG22 VAL 38 2HG2 VAL 38 0.048 -1.687 -5.825 321 HG23 VAL 38 1HG2 VAL 38 0.235 -1.692 -4.070 322 H GLU 39 H GLU 39 3.973 1.022 -3.785 323 HA GLU 39 HA GLU 39 5.913 1.224 -5.963 324 HB2 GLU 39 HB2 GLU 39 5.536 3.229 -4.611 325 HB3 GLU 39 HB3 GLU 39 5.969 2.339 -3.156 326 HG2 GLU 39 HG2 GLU 39 8.215 1.923 -4.259 327 HG3 GLU 39 HG3 GLU 39 7.739 3.148 -5.435 328 H THR 40 H THR 40 7.876 0.195 -5.942 329 HA THR 40 HA THR 40 8.163 -1.967 -4.001 330 HB THR 40 HB THR 40 10.041 -1.585 -6.301 331 HG1 THR 40 HG1 THR 40 8.585 -2.143 -7.770 332 HG21 THR 40 3HG2 THR 40 8.771 -4.031 -5.058 333 HG22 THR 40 1HG2 THR 40 10.379 -3.409 -4.685 334 HG23 THR 40 2HG2 THR 40 10.026 -4.027 -6.298 335 H GLN 41 H GLN 41 9.046 -0.998 -2.184 336 HA GLN 41 HA GLN 41 11.420 0.662 -2.590 337 HB2 GLN 41 HB2 GLN 41 9.581 1.389 -1.036 338 HB3 GLN 41 HB3 GLN 41 9.999 0.033 -0.001 339 HG2 GLN 41 HG2 GLN 41 11.935 0.993 0.716 340 HG3 GLN 41 HG3 GLN 41 12.146 1.936 -0.760 341 HE21 GLN 41 1HE2 GLN 41 9.434 2.941 -0.762 342 HE22 GLN 41 2HE2 GLN 41 9.352 4.115 0.497 343 H GLY 42 H GLY 42 12.975 -0.722 -3.155 344 HA2 GLY 42 HA1 GLY 42 13.053 -3.433 -2.479 345 HA3 GLY 42 HA2 GLY 42 14.394 -2.523 -3.154 346 H ALA 43 H ALA 43 15.580 -1.139 -1.539 347 HA ALA 43 HA ALA 43 15.664 -2.452 1.098 348 HB1 ALA 43 HB1 ALA 43 18.115 -2.303 1.075 349 HB2 ALA 43 HB2 ALA 43 17.515 -3.325 -0.232 350 HB3 ALA 43 HB3 ALA 43 18.058 -1.682 -0.574 351 H THR 44 H THR 44 14.256 -0.549 1.471 352 HA THR 44 HA THR 44 13.837 1.544 2.256 353 HB THR 44 HB THR 44 16.799 1.957 2.665 354 HG1 THR 44 HG1 THR 44 15.901 -0.186 3.419 355 HG21 THR 44 3HG2 THR 44 16.048 3.163 4.659 356 HG22 THR 44 1HG2 THR 44 14.374 2.761 4.281 357 HG23 THR 44 2HG2 THR 44 15.289 3.821 3.209 358 H GLY 45 H GLY 45 14.779 0.923 -0.559 359 HA2 GLY 45 HA1 GLY 45 15.337 3.695 -1.393 360 HA3 GLY 45 HA2 GLY 45 16.118 2.316 -2.158 361 H ILE 46 H ILE 46 14.557 4.233 -3.529 362 HA ILE 46 HA ILE 46 11.866 3.135 -3.768 363 HB ILE 46 HB ILE 46 13.054 5.571 -5.102 364 HG12 ILE 46 2HG1 ILE 46 13.203 5.666 -2.624 365 HG13 ILE 46 3HG1 ILE 46 12.140 6.897 -3.301 366 HG21 ILE 46 2HG2 ILE 46 10.718 6.292 -5.311 367 HG22 ILE 46 1HG2 ILE 46 10.194 4.759 -4.615 368 HG23 ILE 46 3HG2 ILE 46 11.028 4.783 -6.168 369 HD11 ILE 46 3HD1 ILE 46 11.296 4.329 -1.980 370 HD12 ILE 46 2HD1 ILE 46 10.206 5.520 -2.689 371 HD13 ILE 46 1HD1 ILE 46 11.195 5.952 -1.292 372 H GLU 47 H GLU 47 11.066 2.114 -5.569 373 HA GLU 47 HA GLU 47 12.796 2.038 -7.958 374 HB2 GLU 47 HB2 GLU 47 12.519 -0.182 -6.986 375 HB3 GLU 47 HB3 GLU 47 10.770 0.002 -7.008 376 HG2 GLU 47 HG2 GLU 47 11.071 0.325 -9.552 377 HG3 GLU 47 HG3 GLU 47 12.654 -0.406 -9.291 378 H ASN 48 H ASN 48 9.367 1.666 -7.065 379 HA ASN 48 HA ASN 48 8.473 2.417 -9.674 380 HB2 ASN 48 HB2 ASN 48 7.242 0.807 -8.268 381 HB3 ASN 48 HB3 ASN 48 6.903 2.083 -7.107 382 HD21 ASN 48 1HD2 ASN 48 5.367 3.655 -7.612 383 HD22 ASN 48 2HD2 ASN 48 4.254 3.461 -8.918 384 H GLU 49 H GLU 49 8.298 3.937 -6.486 385 HA GLU 49 HA GLU 49 8.147 6.065 -5.779 386 HB2 GLU 49 HB2 GLU 49 9.842 6.634 -7.462 387 HB3 GLU 49 HB3 GLU 49 8.574 6.857 -8.661 388 HG2 GLU 49 HG2 GLU 49 7.661 8.711 -7.414 389 HG3 GLU 49 HG3 GLU 49 8.829 8.453 -6.118 390 H LEU 50 H LEU 50 6.340 6.842 -5.061 391 HA LEU 50 HA LEU 50 4.005 6.990 -6.815 392 HB2 LEU 50 HB2 LEU 50 4.227 7.477 -3.839 393 HB3 LEU 50 HB3 LEU 50 2.739 7.402 -4.761 394 HG LEU 50 HG LEU 50 4.648 5.102 -4.316 395 HD11 LEU 50 2HD1 LEU 50 3.426 5.691 -2.300 396 HD12 LEU 50 1HD1 LEU 50 2.846 4.163 -2.961 397 HD13 LEU 50 3HD1 LEU 50 1.904 5.637 -3.189 398 HD21 LEU 50 3HD2 LEU 50 2.908 3.737 -5.372 399 HD22 LEU 50 2HD2 LEU 50 3.550 4.947 -6.483 400 HD23 LEU 50 1HD2 LEU 50 1.979 5.196 -5.721 401 H THR 51 H THR 51 3.591 8.835 -7.838 402 HA THR 51 HA THR 51 5.149 11.175 -7.238 403 HB THR 51 HB THR 51 4.029 12.199 -9.172 404 HG1 THR 51 HG1 THR 51 2.517 9.765 -9.189 405 HG21 THR 51 3HG2 THR 51 4.849 10.656 -10.890 406 HG22 THR 51 1HG2 THR 51 4.943 9.366 -9.688 407 HG23 THR 51 2HG2 THR 51 5.985 10.783 -9.546 408 H GLU 52 H GLU 52 3.951 13.369 -7.318 409 HA GLU 52 HA GLU 52 2.496 13.632 -4.961 410 HB2 GLU 52 HB2 GLU 52 2.044 15.915 -5.642 411 HB3 GLU 52 HB3 GLU 52 3.721 15.503 -5.930 412 HG2 GLU 52 HG2 GLU 52 1.516 15.776 -7.962 413 HG3 GLU 52 HG3 GLU 52 2.869 16.872 -7.711 414 H LYS 53 H LYS 53 1.352 13.638 -8.297 415 HA LYS 53 HA LYS 53 -1.364 13.893 -7.895 416 HB2 LYS 53 HB2 LYS 53 -0.098 12.001 -9.890 417 HB3 LYS 53 HB3 LYS 53 -1.711 12.689 -9.980 418 HG2 LYS 53 HG2 LYS 53 0.923 14.074 -10.356 419 HG3 LYS 53 HG3 LYS 53 -0.397 13.889 -11.510 420 HD2 LYS 53 HD2 LYS 53 -1.807 15.315 -10.061 421 HD3 LYS 53 HD3 LYS 53 -0.422 15.550 -8.994 422 HE2 LYS 53 HE2 LYS 53 -0.801 16.503 -11.816 423 HE3 LYS 53 HE3 LYS 53 -0.442 17.446 -10.370 424 HZ1 LYS 53 HZ1 LYS 53 1.728 16.089 -10.349 425 HZ2 LYS 53 HZ2 LYS 53 1.577 17.360 -11.459 426 HZ3 LYS 53 HZ3 LYS 53 1.366 15.754 -11.973 427 H ASP 54 H ASP 54 0.513 10.862 -7.954 428 HA ASP 54 HA ASP 54 -1.557 9.076 -7.474 429 HB2 ASP 54 HB2 ASP 54 1.323 8.904 -6.569 430 HB3 ASP 54 HB3 ASP 54 0.182 7.570 -6.477 431 H VAL 55 H VAL 55 0.491 10.754 -5.164 432 HA VAL 55 HA VAL 55 -0.493 9.573 -2.834 433 HB VAL 55 HB VAL 55 0.652 12.344 -3.195 434 HG11 VAL 55 2HG1 VAL 55 -0.525 12.153 -1.088 435 HG12 VAL 55 1HG1 VAL 55 1.217 12.188 -0.811 436 HG13 VAL 55 3HG1 VAL 55 0.336 10.662 -0.716 437 HG21 VAL 55 3HG2 VAL 55 2.139 10.583 -3.996 438 HG22 VAL 55 2HG2 VAL 55 1.978 9.736 -2.457 439 HG23 VAL 55 1HG2 VAL 55 2.767 11.313 -2.517 440 H ASN 56 H ASN 56 -1.579 12.499 -4.536 441 HA ASN 56 HA ASN 56 -3.500 13.063 -2.449 442 HB2 ASN 56 HB2 ASN 56 -2.865 14.455 -5.048 443 HB3 ASN 56 HB3 ASN 56 -4.154 14.976 -3.967 444 HD21 ASN 56 1HD2 ASN 56 -0.718 14.719 -4.416 445 HD22 ASN 56 2HD2 ASN 56 -0.268 15.750 -3.095 446 H ILE 57 H ILE 57 -3.473 11.254 -5.337 447 HA ILE 57 HA ILE 57 -6.349 11.315 -5.672 448 HB ILE 57 HB ILE 57 -4.239 9.558 -6.942 449 HG12 ILE 57 2HG1 ILE 57 -5.919 11.792 -8.107 450 HG13 ILE 57 3HG1 ILE 57 -4.239 11.958 -7.602 451 HG21 ILE 57 2HG2 ILE 57 -7.201 9.696 -7.494 452 HG22 ILE 57 1HG2 ILE 57 -6.314 8.322 -6.834 453 HG23 ILE 57 3HG2 ILE 57 -6.024 8.845 -8.492 454 HD11 ILE 57 3HD1 ILE 57 -5.243 10.140 -9.781 455 HD12 ILE 57 2HD1 ILE 57 -3.562 10.347 -9.292 456 HD13 ILE 57 1HD1 ILE 57 -4.440 11.693 -10.014 457 H GLY 58 H GLY 58 -3.901 9.007 -4.528 458 HA2 GLY 58 HA1 GLY 58 -5.622 6.921 -3.774 459 HA3 GLY 58 HA2 GLY 58 -4.030 7.232 -3.092 460 H GLU 59 H GLU 59 -6.884 6.553 -2.102 461 HA GLU 59 HA GLU 59 -7.357 8.756 -0.261 462 HB2 GLU 59 HB2 GLU 59 -8.887 6.187 -0.722 463 HB3 GLU 59 HB3 GLU 59 -9.393 7.491 0.344 464 HG2 GLU 59 HG2 GLU 59 -9.605 8.995 -1.536 465 HG3 GLU 59 HG3 GLU 59 -8.993 7.754 -2.628 466 H VAL 60 H VAL 60 -6.927 5.223 -0.062 467 HA VAL 60 HA VAL 60 -6.101 5.550 2.734 468 HB VAL 60 HB VAL 60 -6.371 3.077 2.904 469 HG11 VAL 60 2HG1 VAL 60 -8.822 3.093 2.892 470 HG12 VAL 60 1HG1 VAL 60 -8.802 4.594 1.964 471 HG13 VAL 60 3HG1 VAL 60 -8.158 4.563 3.606 472 HG21 VAL 60 3HG2 VAL 60 -7.475 3.351 0.110 473 HG22 VAL 60 2HG2 VAL 60 -7.622 1.912 1.121 474 HG23 VAL 60 1HG2 VAL 60 -6.033 2.459 0.590 475 H VAL 61 H VAL 61 -4.164 4.780 3.487 476 HA VAL 61 HA VAL 61 -2.159 4.160 1.418 477 HB VAL 61 HB VAL 61 -1.670 5.214 4.211 478 HG11 VAL 61 2HG1 VAL 61 0.585 5.695 3.372 479 HG12 VAL 61 1HG1 VAL 61 0.159 4.965 1.826 480 HG13 VAL 61 3HG1 VAL 61 0.208 3.975 3.284 481 HG21 VAL 61 3HG2 VAL 61 -2.859 6.901 2.960 482 HG22 VAL 61 2HG2 VAL 61 -1.756 6.710 1.597 483 HG23 VAL 61 1HG2 VAL 61 -1.165 7.372 3.122 484 H ILE 62 H ILE 62 -1.326 2.168 1.420 485 HA ILE 62 HA ILE 62 -1.570 0.574 3.892 486 HB ILE 62 HB ILE 62 -1.626 -0.405 1.030 487 HG12 ILE 62 2HG1 ILE 62 -3.730 -0.450 3.207 488 HG13 ILE 62 3HG1 ILE 62 -3.734 0.611 1.802 489 HG21 ILE 62 2HG2 ILE 62 -1.997 -2.635 2.017 490 HG22 ILE 62 1HG2 ILE 62 -1.697 -1.954 3.616 491 HG23 ILE 62 3HG2 ILE 62 -0.409 -1.976 2.411 492 HD11 ILE 62 3HD1 ILE 62 -5.269 -1.254 1.525 493 HD12 ILE 62 2HD1 ILE 62 -3.939 -2.393 1.743 494 HD13 ILE 62 1HD1 ILE 62 -3.965 -1.325 0.339 495 H PHE 63 H PHE 63 0.309 0.177 4.831 496 HA PHE 63 HA PHE 63 2.724 0.146 3.154 497 HB2 PHE 63 HB2 PHE 63 2.314 0.789 6.059 498 HB3 PHE 63 HB3 PHE 63 3.900 0.330 5.447 499 HD1 PHE 63 HD2 PHE 63 3.874 1.660 2.810 500 HD2 PHE 63 HD1 PHE 63 2.563 3.025 6.618 501 HE1 PHE 63 HE2 PHE 63 4.280 3.982 2.112 502 HE2 PHE 63 HE1 PHE 63 2.968 5.351 5.927 503 HZ PHE 63 HZ PHE 63 3.828 5.831 3.671 504 H ALA 64 H ALA 64 3.176 -1.839 2.538 505 HA ALA 64 HA ALA 64 3.150 -3.979 4.562 506 HB1 ALA 64 HB1 ALA 64 3.400 -4.211 1.559 507 HB2 ALA 64 HB2 ALA 64 3.296 -5.547 2.706 508 HB3 ALA 64 HB3 ALA 64 1.917 -4.470 2.480 509 H VAL 65 H VAL 65 5.081 -3.583 5.623 510 HA VAL 65 HA VAL 65 7.471 -3.473 3.931 511 HB VAL 65 HB VAL 65 8.367 -1.629 5.364 512 HG11 VAL 65 2HG1 VAL 65 5.861 -1.012 3.798 513 HG12 VAL 65 1HG1 VAL 65 7.481 -1.206 3.123 514 HG13 VAL 65 3HG1 VAL 65 7.131 0.139 4.211 515 HG21 VAL 65 3HG2 VAL 65 6.810 -0.280 6.655 516 HG22 VAL 65 2HG2 VAL 65 6.841 -1.932 7.271 517 HG23 VAL 65 1HG2 VAL 65 5.494 -1.389 6.268 518 H ASP 66 H ASP 66 9.411 -3.952 4.895 519 HA ASP 66 HA ASP 66 9.299 -5.403 7.459 520 HB2 ASP 66 HB2 ASP 66 9.879 -6.777 5.479 521 HB3 ASP 66 HB3 ASP 66 11.214 -5.695 5.117 522 H THR 67 H THR 67 9.755 -2.484 6.597 523 HA THR 67 HA THR 67 11.616 -1.766 8.581 524 HB THR 67 HB THR 67 13.227 -2.602 6.874 525 HG1 THR 67 HG1 THR 67 14.573 -0.749 6.962 526 HG21 THR 67 3HG2 THR 67 12.196 -0.313 5.196 527 HG22 THR 67 1HG2 THR 67 11.974 -2.029 4.852 528 HG23 THR 67 2HG2 THR 67 13.591 -1.323 4.821 529 H LYS 68 H LYS 68 12.406 0.734 7.571 530 HA LYS 68 HA LYS 68 9.970 2.214 7.858 531 HB2 LYS 68 HB2 LYS 68 11.429 4.189 7.673 532 HB3 LYS 68 HB3 LYS 68 12.063 3.017 8.823 533 HG2 LYS 68 HG2 LYS 68 13.702 2.262 7.256 534 HG3 LYS 68 HG3 LYS 68 12.984 3.234 5.971 535 HD2 LYS 68 HD2 LYS 68 14.183 4.369 8.493 536 HD3 LYS 68 HD3 LYS 68 15.049 4.216 6.964 537 HE2 LYS 68 HE2 LYS 68 13.350 5.637 5.888 538 HE3 LYS 68 HE3 LYS 68 12.543 5.823 7.447 539 HZ1 LYS 68 HZ1 LYS 68 15.328 6.671 6.844 540 HZ2 LYS 68 HZ2 LYS 68 14.509 6.894 8.316 541 HZ3 LYS 68 HZ3 LYS 68 13.983 7.703 6.923 542 H VAL 69 H VAL 69 9.790 4.252 6.319 543 HA VAL 69 HA VAL 69 10.090 3.407 3.520 544 HB VAL 69 HB VAL 69 7.853 4.187 2.948 545 HG11 VAL 69 2HG1 VAL 69 7.784 2.188 5.199 546 HG12 VAL 69 1HG1 VAL 69 8.114 1.832 3.503 547 HG13 VAL 69 3HG1 VAL 69 6.524 2.424 3.989 548 HG21 VAL 69 3HG2 VAL 69 6.212 4.763 4.660 549 HG22 VAL 69 2HG2 VAL 69 7.580 5.876 4.682 550 HG23 VAL 69 1HG2 VAL 69 7.453 4.613 5.905 551 H ARG 70 H ARG 70 10.147 5.104 2.006 552 HA ARG 70 HA ARG 70 11.064 7.652 3.054 553 HB2 ARG 70 HB2 ARG 70 10.878 6.623 0.214 554 HB3 ARG 70 HB3 ARG 70 11.614 8.143 0.690 555 HG2 ARG 70 HG2 ARG 70 12.578 5.449 1.626 556 HG3 ARG 70 HG3 ARG 70 13.224 6.305 0.225 557 HD2 ARG 70 HD2 ARG 70 13.687 8.238 1.770 558 HD3 ARG 70 HD3 ARG 70 13.298 7.161 3.110 559 HE ARG 70 HE ARG 70 15.166 5.719 2.031 560 HH11 ARG 70 2HH1 ARG 70 15.101 9.219 2.209 561 HH12 ARG 70 1HH1 ARG 70 16.835 9.374 2.210 562 HH21 ARG 70 2HH2 ARG 70 17.449 5.928 2.048 563 HH22 ARG 70 1HH2 ARG 70 18.163 7.515 2.100 564 H ASN 71 H ASN 71 8.202 6.284 1.764 565 HA ASN 71 HA ASN 71 7.202 8.728 0.598 566 HB2 ASN 71 HB2 ASN 71 6.172 5.940 0.822 567 HB3 ASN 71 HB3 ASN 71 5.048 7.238 0.449 568 HD21 ASN 71 1HD2 ASN 71 7.726 5.363 -0.670 569 HD22 ASN 71 2HD2 ASN 71 7.660 5.868 -2.324 570 H LYS 72 H LYS 72 7.323 7.587 3.732 571 HA LYS 72 HA LYS 72 4.740 8.112 4.702 572 HB2 LYS 72 HB2 LYS 72 6.478 6.887 5.965 573 HB3 LYS 72 HB3 LYS 72 7.367 8.387 6.175 574 HG2 LYS 72 HG2 LYS 72 6.141 7.826 8.175 575 HG3 LYS 72 HG3 LYS 72 5.502 9.305 7.458 576 HD2 LYS 72 HD2 LYS 72 3.650 8.067 6.494 577 HD3 LYS 72 HD3 LYS 72 4.316 6.552 7.107 578 HE2 LYS 72 HE2 LYS 72 2.561 7.242 8.577 579 HE3 LYS 72 HE3 LYS 72 4.097 7.461 9.413 580 HZ1 LYS 72 HZ1 LYS 72 3.917 9.868 8.555 581 HZ2 LYS 72 HZ2 LYS 72 2.954 9.396 9.868 582 HZ3 LYS 72 HZ3 LYS 72 2.272 9.505 8.323 583 H GLU 73 H GLU 73 7.335 10.173 3.803 584 HA GLU 73 HA GLU 73 6.816 12.522 5.170 585 HB2 GLU 73 HB2 GLU 73 7.599 12.358 2.261 586 HB3 GLU 73 HB3 GLU 73 7.938 13.670 3.377 587 HG2 GLU 73 HG2 GLU 73 9.455 12.263 4.622 588 HG3 GLU 73 HG3 GLU 73 9.059 10.886 3.594 589 H ARG 74 H ARG 74 5.211 11.238 2.281 590 HA ARG 74 HA ARG 74 3.830 13.770 1.886 591 HB2 ARG 74 HB2 ARG 74 3.138 12.808 -0.263 592 HB3 ARG 74 HB3 ARG 74 4.880 12.755 -0.038 593 HG2 ARG 74 HG2 ARG 74 4.177 10.324 0.921 594 HG3 ARG 74 HG3 ARG 74 2.939 10.568 -0.312 595 HD2 ARG 74 HD2 ARG 74 4.801 9.457 -1.326 596 HD3 ARG 74 HD3 ARG 74 4.748 11.113 -1.920 597 HE ARG 74 HE ARG 74 6.465 10.960 0.310 598 HH11 ARG 74 2HH1 ARG 74 6.306 10.025 -3.054 599 HH12 ARG 74 1HH1 ARG 74 8.020 10.093 -3.289 600 HH21 ARG 74 2HH2 ARG 74 8.746 11.050 0.010 601 HH22 ARG 74 1HH2 ARG 74 9.407 10.684 -1.549 602 H PHE 75 H PHE 75 3.128 10.679 3.246 603 HA PHE 75 HA PHE 75 0.258 11.032 2.934 604 HB2 PHE 75 HB2 PHE 75 1.740 8.886 4.462 605 HB3 PHE 75 HB3 PHE 75 0.063 8.857 3.941 606 HD1 PHE 75 HD2 PHE 75 0.076 9.577 1.190 607 HD2 PHE 75 HD1 PHE 75 2.941 7.301 3.359 608 HE1 PHE 75 HE2 PHE 75 0.764 8.457 -0.892 609 HE2 PHE 75 HE1 PHE 75 3.638 6.182 1.289 610 HZ PHE 75 HZ PHE 75 2.546 6.760 -0.844 611 H ASP 76 H ASP 76 1.276 13.143 4.307 612 HA ASP 76 HA ASP 76 1.525 12.842 7.085 613 HB2 ASP 76 HB2 ASP 76 1.006 15.336 7.127 614 HB3 ASP 76 HB3 ASP 76 2.379 14.836 6.150 615 H GLY 77 H GLY 77 -1.187 14.716 5.737 616 HA2 GLY 77 HA1 GLY 77 -2.871 13.787 7.917 617 HA3 GLY 77 HA2 GLY 77 -3.278 15.018 6.727 618 H LYS 78 H LYS 78 -2.263 11.640 6.407 619 HA LYS 78 HA LYS 78 -4.776 11.095 4.980 620 HB2 LYS 78 HB2 LYS 78 -2.022 10.102 4.209 621 HB3 LYS 78 HB3 LYS 78 -3.527 9.668 3.410 622 HG2 LYS 78 HG2 LYS 78 -3.855 11.951 2.693 623 HG3 LYS 78 HG3 LYS 78 -2.421 12.464 3.582 624 HD2 LYS 78 HD2 LYS 78 -1.899 12.255 1.228 625 HD3 LYS 78 HD3 LYS 78 -1.044 11.011 2.139 626 HE2 LYS 78 HE2 LYS 78 -1.979 10.103 0.084 627 HE3 LYS 78 HE3 LYS 78 -2.731 9.374 1.496 628 HZ1 LYS 78 HZ1 LYS 78 -3.928 11.645 0.008 629 HZ2 LYS 78 HZ2 LYS 78 -4.672 10.674 1.184 630 HZ3 LYS 78 HZ3 LYS 78 -4.285 10.023 -0.333 631 H VAL 79 H VAL 79 -5.316 8.770 4.924 632 HA VAL 79 HA VAL 79 -4.940 7.704 7.580 633 HB VAL 79 HB VAL 79 -7.185 7.656 6.756 634 HG11 VAL 79 2HG1 VAL 79 -7.837 6.342 4.787 635 HG12 VAL 79 1HG1 VAL 79 -6.133 6.023 4.456 636 HG13 VAL 79 3HG1 VAL 79 -6.752 7.673 4.380 637 HG21 VAL 79 3HG2 VAL 79 -7.718 5.251 6.949 638 HG22 VAL 79 2HG2 VAL 79 -6.590 5.806 8.187 639 HG23 VAL 79 1HG2 VAL 79 -6.000 4.884 6.803 640 H VAL 80 H VAL 80 -3.392 6.346 8.089 641 HA VAL 80 HA VAL 80 -2.127 4.800 5.928 642 HB VAL 80 HB VAL 80 -0.918 5.787 8.518 643 HG11 VAL 80 2HG1 VAL 80 1.198 4.921 7.632 644 HG12 VAL 80 1HG1 VAL 80 0.336 4.239 6.254 645 HG13 VAL 80 3HG1 VAL 80 0.017 3.635 7.880 646 HG21 VAL 80 3HG2 VAL 80 0.477 7.186 7.045 647 HG22 VAL 80 2HG2 VAL 80 -1.237 7.580 6.915 648 HG23 VAL 80 1HG2 VAL 80 -0.455 6.624 5.656 649 H LEU 81 H LEU 81 -2.556 2.727 5.963 650 HA LEU 81 HA LEU 81 -2.934 1.377 8.553 651 HB2 LEU 81 HB2 LEU 81 -4.805 1.277 6.865 652 HB3 LEU 81 HB3 LEU 81 -3.726 0.407 5.798 653 HG LEU 81 HG LEU 81 -5.443 -0.943 7.145 654 HD11 LEU 81 2HD1 LEU 81 -2.531 -1.704 7.255 655 HD12 LEU 81 1HD1 LEU 81 -3.649 -2.008 5.924 656 HD13 LEU 81 3HD1 LEU 81 -3.886 -2.808 7.478 657 HD21 LEU 81 3HD2 LEU 81 -4.722 -1.606 9.391 658 HD22 LEU 81 2HD2 LEU 81 -5.106 0.113 9.299 659 HD23 LEU 81 1HD2 LEU 81 -3.423 -0.415 9.318 660 H GLU 82 H GLU 82 -1.053 0.557 9.209 661 HA GLU 82 HA GLU 82 0.856 -0.387 7.189 662 HB2 GLU 82 HB2 GLU 82 1.573 1.380 8.807 663 HB3 GLU 82 HB3 GLU 82 1.358 0.216 10.107 664 HG2 GLU 82 HG2 GLU 82 3.068 -1.209 9.141 665 HG3 GLU 82 HG3 GLU 82 3.260 -0.089 7.795 666 H VAL 83 H VAL 83 1.513 -2.435 7.082 667 HA VAL 83 HA VAL 83 0.896 -4.295 9.260 668 HB VAL 83 HB VAL 83 0.183 -6.017 7.584 669 HG11 VAL 83 2HG1 VAL 83 -1.539 -3.547 7.721 670 HG12 VAL 83 1HG1 VAL 83 -1.501 -4.868 8.890 671 HG13 VAL 83 3HG1 VAL 83 -2.095 -5.155 7.254 672 HG21 VAL 83 3HG2 VAL 83 -0.565 -5.279 5.367 673 HG22 VAL 83 2HG2 VAL 83 1.167 -5.031 5.588 674 HG23 VAL 83 1HG2 VAL 83 0.058 -3.664 5.700 675 HA PRO 84 HA PRO 84 4.942 -5.966 8.263 676 HB2 PRO 84 HB2 PRO 84 4.385 -8.671 8.430 677 HB3 PRO 84 HB3 PRO 84 4.785 -7.642 9.809 678 HG2 PRO 84 HG2 PRO 84 2.114 -8.559 8.839 679 HG3 PRO 84 HG3 PRO 84 2.703 -8.372 10.501 680 HD2 PRO 84 HD2 PRO 84 1.063 -6.568 9.368 681 HD3 PRO 84 HD3 PRO 84 2.338 -6.086 10.506 682 H VAL 85 H VAL 85 6.001 -6.890 6.480 683 HA VAL 85 HA VAL 85 4.747 -6.478 4.039 684 HB VAL 85 HB VAL 85 7.194 -6.386 4.435 685 HG11 VAL 85 2HG1 VAL 85 7.032 -9.390 4.334 686 HG12 VAL 85 1HG1 VAL 85 7.521 -8.403 5.712 687 HG13 VAL 85 3HG1 VAL 85 8.520 -8.446 4.259 688 HG21 VAL 85 3HG2 VAL 85 6.310 -8.120 2.135 689 HG22 VAL 85 2HG2 VAL 85 7.855 -7.275 2.239 690 HG23 VAL 85 1HG2 VAL 85 6.351 -6.356 2.174 691 H SER 86 H SER 86 4.977 -9.426 5.912 692 HA SER 86 HA SER 86 4.251 -11.181 3.777 693 HB2 SER 86 HB2 SER 86 5.571 -11.943 5.717 694 HB3 SER 86 HB3 SER 86 4.183 -11.655 6.765 695 HG SER 86 HG SER 86 3.048 -13.175 5.327 696 H ALA 87 H ALA 87 2.438 -9.088 5.798 697 HA ALA 87 HA ALA 87 0.180 -10.715 6.276 698 HB1 ALA 87 HB1 ALA 87 0.742 -8.731 7.613 699 HB2 ALA 87 HB2 ALA 87 0.280 -7.706 6.254 700 HB3 ALA 87 HB3 ALA 87 -0.926 -8.725 7.043 701 HA PRO 88 HA PRO 88 -2.092 -8.414 2.711 702 HB2 PRO 88 HB2 PRO 88 -0.662 -7.108 0.832 703 HB3 PRO 88 HB3 PRO 88 -1.180 -6.334 2.335 704 HG2 PRO 88 HG2 PRO 88 1.475 -7.544 1.649 705 HG3 PRO 88 HG3 PRO 88 1.124 -5.989 2.428 706 HD2 PRO 88 HD2 PRO 88 1.845 -8.171 3.840 707 HD3 PRO 88 HD3 PRO 88 0.705 -6.968 4.478 708 H ILE 89 H ILE 89 0.626 -10.360 2.442 709 HA ILE 89 HA ILE 89 0.206 -11.230 -0.270 710 HB ILE 89 HB ILE 89 1.771 -12.574 1.943 711 HG12 ILE 89 2HG1 ILE 89 2.734 -10.704 -0.236 712 HG13 ILE 89 3HG1 ILE 89 2.555 -10.272 1.462 713 HG21 ILE 89 2HG2 ILE 89 1.198 -14.072 0.099 714 HG22 ILE 89 1HG2 ILE 89 2.928 -13.733 0.135 715 HG23 ILE 89 3HG2 ILE 89 1.898 -12.930 -1.048 716 HD11 ILE 89 3HD1 ILE 89 4.260 -11.889 2.069 717 HD12 ILE 89 2HD1 ILE 89 4.872 -10.744 0.875 718 HD13 ILE 89 1HD1 ILE 89 4.417 -12.374 0.382 719 H LYS 90 H LYS 90 -0.670 -12.258 2.960 720 HA LYS 90 HA LYS 90 -2.080 -14.599 1.925 721 HB2 LYS 90 HB2 LYS 90 -0.512 -14.540 4.006 722 HB3 LYS 90 HB3 LYS 90 -1.885 -13.806 4.819 723 HG2 LYS 90 HG2 LYS 90 -2.028 -16.459 3.413 724 HG3 LYS 90 HG3 LYS 90 -1.631 -16.282 5.121 725 HD2 LYS 90 HD2 LYS 90 -3.784 -15.229 5.532 726 HD3 LYS 90 HD3 LYS 90 -4.176 -15.321 3.813 727 HE2 LYS 90 HE2 LYS 90 -3.683 -17.666 5.645 728 HE3 LYS 90 HE3 LYS 90 -5.258 -17.110 5.083 729 HZ1 LYS 90 HZ1 LYS 90 -4.596 -17.605 2.817 730 HZ2 LYS 90 HZ2 LYS 90 -4.450 -18.989 3.788 731 HZ3 LYS 90 HZ3 LYS 90 -3.066 -18.118 3.343 732 H ASP 91 H ASP 91 -2.647 -11.672 3.852 733 HA ASP 91 HA ASP 91 -5.544 -12.154 3.681 734 HB2 ASP 91 HB2 ASP 91 -3.950 -10.413 5.576 735 HB3 ASP 91 HB3 ASP 91 -5.705 -10.520 5.558 736 H ALA 92 H ALA 92 -4.383 -11.133 1.374 737 HA ALA 92 HA ALA 92 -4.037 -8.392 1.155 738 HB1 ALA 92 HB1 ALA 92 -3.521 -10.011 -0.625 739 HB2 ALA 92 HB2 ALA 92 -5.249 -10.214 -0.921 740 HB3 ALA 92 HB3 ALA 92 -4.482 -8.652 -1.213 741 H GLU 93 H GLU 93 -7.041 -10.240 0.681 742 HA GLU 93 HA GLU 93 -8.737 -8.081 0.117 743 HB2 GLU 93 HB2 GLU 93 -9.592 -10.500 1.711 744 HB3 GLU 93 HB3 GLU 93 -10.544 -9.558 0.576 745 HG2 GLU 93 HG2 GLU 93 -8.197 -11.269 -0.209 746 HG3 GLU 93 HG3 GLU 93 -9.874 -11.810 -0.237 747 H LYS 94 H LYS 94 -7.718 -9.507 3.172 748 HA LYS 94 HA LYS 94 -9.639 -8.129 4.763 749 HB2 LYS 94 HB2 LYS 94 -8.580 -10.320 5.348 750 HB3 LYS 94 HB3 LYS 94 -7.073 -9.465 5.633 751 HG2 LYS 94 HG2 LYS 94 -8.111 -8.203 7.432 752 HG3 LYS 94 HG3 LYS 94 -9.645 -9.022 7.132 753 HD2 LYS 94 HD2 LYS 94 -8.579 -11.177 7.648 754 HD3 LYS 94 HD3 LYS 94 -7.064 -10.338 7.983 755 HE2 LYS 94 HE2 LYS 94 -9.664 -9.957 9.461 756 HE3 LYS 94 HE3 LYS 94 -8.273 -10.873 10.040 757 HZ1 LYS 94 HZ1 LYS 94 -6.979 -8.768 9.868 758 HZ2 LYS 94 HZ2 LYS 94 -8.205 -8.740 11.036 759 HZ3 LYS 94 HZ3 LYS 94 -8.431 -7.947 9.554 760 H VAL 95 H VAL 95 -6.252 -7.636 3.954 761 HA VAL 95 HA VAL 95 -5.752 -5.442 5.653 762 HB VAL 95 HB VAL 95 -4.498 -6.102 2.979 763 HG11 VAL 95 2HG1 VAL 95 -3.472 -4.334 5.195 764 HG12 VAL 95 1HG1 VAL 95 -4.100 -3.780 3.642 765 HG13 VAL 95 3HG1 VAL 95 -2.620 -4.739 3.706 766 HG21 VAL 95 3HG2 VAL 95 -3.607 -6.792 5.778 767 HG22 VAL 95 2HG2 VAL 95 -2.735 -7.162 4.290 768 HG23 VAL 95 1HG2 VAL 95 -4.300 -7.916 4.606 769 H ILE 96 H ILE 96 -6.868 -5.642 2.297 770 HA ILE 96 HA ILE 96 -7.026 -2.868 1.825 771 HB ILE 96 HB ILE 96 -8.501 -5.183 0.543 772 HG12 ILE 96 2HG1 ILE 96 -6.142 -3.515 -0.381 773 HG13 ILE 96 3HG1 ILE 96 -6.045 -5.146 0.274 774 HG21 ILE 96 2HG2 ILE 96 -9.085 -3.636 -1.265 775 HG22 ILE 96 1HG2 ILE 96 -8.357 -2.302 -0.373 776 HG23 ILE 96 3HG2 ILE 96 -9.788 -3.111 0.265 777 HD11 ILE 96 3HD1 ILE 96 -7.422 -4.337 -2.276 778 HD12 ILE 96 2HD1 ILE 96 -7.354 -5.972 -1.620 779 HD13 ILE 96 1HD1 ILE 96 -5.871 -5.168 -2.138 780 H ASN 97 H ASN 97 -9.439 -5.224 2.933 781 HA ASN 97 HA ASN 97 -11.602 -3.443 3.128 782 HB2 ASN 97 HB2 ASN 97 -10.989 -6.040 4.527 783 HB3 ASN 97 HB3 ASN 97 -12.478 -5.151 4.825 784 HD21 ASN 97 1HD2 ASN 97 -12.078 -7.802 3.657 785 HD22 ASN 97 2HD2 ASN 97 -12.813 -7.738 2.092 786 H ALA 98 H ALA 98 -9.111 -4.346 5.472 787 HA ALA 98 HA ALA 98 -10.155 -3.035 7.711 788 HB1 ALA 98 HB1 ALA 98 -7.251 -3.465 7.015 789 HB2 ALA 98 HB2 ALA 98 -7.901 -3.118 8.618 790 HB3 ALA 98 HB3 ALA 98 -8.302 -4.636 7.815 791 H ALA 99 H ALA 99 -8.008 -1.864 5.151 792 HA ALA 99 HA ALA 99 -7.498 0.684 6.196 793 HB1 ALA 99 HB1 ALA 99 -6.243 -0.263 4.325 794 HB2 ALA 99 HB2 ALA 99 -7.674 -0.147 3.302 795 HB3 ALA 99 HB3 ALA 99 -6.904 1.318 3.912 796 H LEU 100 H LEU 100 -10.126 -0.503 4.150 797 HA LEU 100 HA LEU 100 -11.347 2.033 3.761 798 HB2 LEU 100 HB2 LEU 100 -12.568 -0.724 3.592 799 HB3 LEU 100 HB3 LEU 100 -13.270 0.748 2.950 800 HG LEU 100 HG LEU 100 -10.721 -0.563 2.007 801 HD11 LEU 100 2HD1 LEU 100 -13.417 -0.274 0.692 802 HD12 LEU 100 1HD1 LEU 100 -12.718 -1.765 1.322 803 HD13 LEU 100 3HD1 LEU 100 -11.972 -0.958 -0.056 804 HD21 LEU 100 3HD2 LEU 100 -12.115 1.913 0.996 805 HD22 LEU 100 2HD2 LEU 100 -10.715 1.137 0.256 806 HD23 LEU 100 1HD2 LEU 100 -10.575 1.866 1.857 807 H ALA 101 H ALA 101 -11.662 -0.504 6.150 808 HA ALA 101 HA ALA 101 -14.032 0.443 7.367 809 HB1 ALA 101 HB1 ALA 101 -11.857 -1.254 8.577 810 HB2 ALA 101 HB2 ALA 101 -13.509 -1.078 9.173 811 HB3 ALA 101 HB3 ALA 101 -13.211 -1.855 7.618 812 H LEU 102 H LEU 102 -10.783 1.540 7.520 813 HA LEU 102 HA LEU 102 -10.972 2.725 10.122 814 HB2 LEU 102 HB2 LEU 102 -9.034 3.236 7.870 815 HB3 LEU 102 HB3 LEU 102 -8.880 3.893 9.488 816 HG LEU 102 HG LEU 102 -8.743 0.981 8.710 817 HD11 LEU 102 2HD1 LEU 102 -6.662 2.861 9.814 818 HD12 LEU 102 1HD1 LEU 102 -6.753 2.278 8.152 819 HD13 LEU 102 3HD1 LEU 102 -6.434 1.147 9.467 820 HD21 LEU 102 3HD2 LEU 102 -8.537 2.258 11.436 821 HD22 LEU 102 2HD2 LEU 102 -8.241 0.558 11.068 822 HD23 LEU 102 1HD2 LEU 102 -9.856 1.239 10.862 823 H ILE 103 H ILE 103 -11.662 3.774 6.853 824 HA ILE 103 HA ILE 103 -12.126 6.498 7.850 825 HB ILE 103 HB ILE 103 -12.189 7.165 5.443 826 HG12 ILE 103 2HG1 ILE 103 -11.033 4.419 4.935 827 HG13 ILE 103 3HG1 ILE 103 -12.713 4.836 4.617 828 HG21 ILE 103 2HG2 ILE 103 -9.663 5.861 6.442 829 HG22 ILE 103 1HG2 ILE 103 -10.203 7.504 6.784 830 HG23 ILE 103 3HG2 ILE 103 -9.752 7.047 5.140 831 HD11 ILE 103 3HD1 ILE 103 -11.372 4.921 2.600 832 HD12 ILE 103 2HD1 ILE 103 -10.313 6.120 3.340 833 HD13 ILE 103 1HD1 ILE 103 -12.001 6.515 3.012 834 H ASP 104 H ASP 104 -13.669 3.903 6.005 835 HA ASP 104 HA ASP 104 -16.142 5.488 5.943 836 HB2 ASP 104 HB2 ASP 104 -15.177 4.567 3.799 837 HB3 ASP 104 HB3 ASP 104 -15.536 2.957 4.414 838 H GLU 105 H GLU 105 -14.661 2.685 7.239 839 HA GLU 105 HA GLU 105 -15.276 1.183 8.813 840 HB2 GLU 105 HB2 GLU 105 -16.000 3.220 10.019 841 HB3 GLU 105 HB3 GLU 105 -17.598 3.053 9.309 842 HG2 GLU 105 HG2 GLU 105 -17.565 2.236 11.585 843 HG3 GLU 105 HG3 GLU 105 -17.894 0.923 10.456 844 H LYS 106 H LYS 106 -15.659 -0.382 7.217 845 HA LYS 106 HA LYS 106 -18.477 -1.171 7.094 846 HB2 LYS 106 HB2 LYS 106 -16.510 -1.167 4.800 847 HB3 LYS 106 HB3 LYS 106 -18.016 -2.075 4.775 848 HG2 LYS 106 HG2 LYS 106 -17.798 0.911 5.106 849 HG3 LYS 106 HG3 LYS 106 -18.200 0.073 3.605 850 HD2 LYS 106 HD2 LYS 106 -20.202 -0.842 4.617 851 HD3 LYS 106 HD3 LYS 106 -19.779 -0.119 6.169 852 HE2 LYS 106 HE2 LYS 106 -20.366 1.403 3.633 853 HE3 LYS 106 HE3 LYS 106 -21.501 1.161 4.957 854 HZ1 LYS 106 HZ1 LYS 106 -19.900 2.333 6.415 855 HZ2 LYS 106 HZ2 LYS 106 -20.507 3.305 5.170 856 HZ3 LYS 106 HZ3 LYS 106 -18.941 2.666 5.054 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -17.227 0.246 -5.144 2 H2 MET 1 H2 MET 1 -16.807 1.886 -5.220 3 H3 MET 1 H3 MET 1 -15.653 0.734 -4.775 4 HA MET 1 HA MET 1 -15.801 -0.284 -6.974 5 HB2 MET 1 HB2 MET 1 -17.538 2.127 -7.547 6 HB3 MET 1 HB3 MET 1 -16.918 1.017 -8.761 7 HG2 MET 1 HG2 MET 1 -18.205 -0.798 -7.752 8 HG3 MET 1 HG3 MET 1 -18.832 0.326 -6.544 9 HE1 MET 1 HE1 MET 1 -20.693 -1.490 -8.400 10 HE2 MET 1 HE2 MET 1 -21.313 -0.370 -7.186 11 HE3 MET 1 HE3 MET 1 -21.948 -0.327 -8.832 12 H LYS 2 H LYS 2 -13.933 0.107 -8.023 13 HA LYS 2 HA LYS 2 -12.078 1.163 -8.818 14 HB2 LYS 2 HB2 LYS 2 -13.913 3.564 -8.952 15 HB3 LYS 2 HB3 LYS 2 -12.397 3.370 -9.820 16 HG2 LYS 2 HG2 LYS 2 -13.321 1.569 -11.126 17 HG3 LYS 2 HG3 LYS 2 -14.818 1.618 -10.191 18 HD2 LYS 2 HD2 LYS 2 -15.158 3.956 -10.960 19 HD3 LYS 2 HD3 LYS 2 -13.729 3.788 -11.983 20 HE2 LYS 2 HE2 LYS 2 -14.795 1.981 -13.209 21 HE3 LYS 2 HE3 LYS 2 -16.202 2.068 -12.149 22 HZ1 LYS 2 HZ1 LYS 2 -16.563 3.218 -14.257 23 HZ2 LYS 2 HZ2 LYS 2 -15.265 4.257 -13.925 24 HZ3 LYS 2 HZ3 LYS 2 -16.648 4.289 -12.944 25 H ARG 3 H ARG 3 -12.264 1.027 -6.023 26 HA ARG 3 HA ARG 3 -11.981 3.513 -4.728 27 HB2 ARG 3 HB2 ARG 3 -12.432 1.063 -3.828 28 HB3 ARG 3 HB3 ARG 3 -10.687 1.070 -3.615 29 HG2 ARG 3 HG2 ARG 3 -11.786 1.723 -1.573 30 HG3 ARG 3 HG3 ARG 3 -10.873 3.083 -2.233 31 HD2 ARG 3 HD2 ARG 3 -12.863 4.110 -3.068 32 HD3 ARG 3 HD3 ARG 3 -13.824 2.677 -2.704 33 HE ARG 3 HE ARG 3 -13.479 3.159 -0.337 34 HH11 ARG 3 2HH1 ARG 3 -13.013 5.733 -2.663 35 HH12 ARG 3 1HH1 ARG 3 -13.109 7.007 -1.488 36 HH21 ARG 3 2HH2 ARG 3 -13.693 4.841 1.211 37 HH22 ARG 3 1HH2 ARG 3 -13.540 6.495 0.714 38 H LYS 4 H LYS 4 -10.306 4.829 -4.513 39 HA LYS 4 HA LYS 4 -7.870 4.269 -5.960 40 HB2 LYS 4 HB2 LYS 4 -8.434 6.705 -4.279 41 HB3 LYS 4 HB3 LYS 4 -7.376 6.567 -5.676 42 HG2 LYS 4 HG2 LYS 4 -10.365 6.277 -5.806 43 HG3 LYS 4 HG3 LYS 4 -9.507 7.792 -6.081 44 HD2 LYS 4 HD2 LYS 4 -8.412 6.915 -8.005 45 HD3 LYS 4 HD3 LYS 4 -8.961 5.277 -7.647 46 HE2 LYS 4 HE2 LYS 4 -10.211 6.460 -9.478 47 HE3 LYS 4 HE3 LYS 4 -11.206 5.817 -8.174 48 HZ1 LYS 4 HZ1 LYS 4 -11.439 7.988 -7.253 49 HZ2 LYS 4 HZ2 LYS 4 -11.812 8.095 -8.905 50 HZ3 LYS 4 HZ3 LYS 4 -10.314 8.647 -8.335 51 H ILE 5 H ILE 5 -6.121 3.358 -5.052 52 HA ILE 5 HA ILE 5 -5.652 3.763 -2.181 53 HB ILE 5 HB ILE 5 -5.676 1.069 -3.550 54 HG12 ILE 5 2HG1 ILE 5 -7.398 2.144 -1.306 55 HG13 ILE 5 3HG1 ILE 5 -7.917 1.940 -2.976 56 HG21 ILE 5 2HG2 ILE 5 -3.846 1.227 -1.946 57 HG22 ILE 5 1HG2 ILE 5 -5.102 0.132 -1.368 58 HG23 ILE 5 3HG2 ILE 5 -4.977 1.759 -0.700 59 HD11 ILE 5 3HD1 ILE 5 -7.084 -0.255 -1.094 60 HD12 ILE 5 2HD1 ILE 5 -7.574 -0.474 -2.774 61 HD13 ILE 5 1HD1 ILE 5 -8.731 0.134 -1.590 62 H ILE 6 H ILE 6 -3.566 4.142 -1.702 63 HA ILE 6 HA ILE 6 -1.534 3.183 -3.602 64 HB ILE 6 HB ILE 6 0.017 4.890 -2.768 65 HG12 ILE 6 2HG1 ILE 6 -1.159 5.187 -0.523 66 HG13 ILE 6 3HG1 ILE 6 -0.563 6.650 -1.293 67 HG21 ILE 6 2HG2 ILE 6 -2.563 6.021 -3.826 68 HG22 ILE 6 1HG2 ILE 6 -1.246 5.334 -4.777 69 HG23 ILE 6 3HG2 ILE 6 -0.994 6.826 -3.870 70 HD11 ILE 6 3HD1 ILE 6 -2.761 6.965 -0.294 71 HD12 ILE 6 2HD1 ILE 6 -3.419 5.689 -1.319 72 HD13 ILE 6 1HD1 ILE 6 -2.815 7.180 -2.043 73 H ALA 7 H ALA 7 0.087 1.912 -2.816 74 HA ALA 7 HA ALA 7 0.085 1.373 0.071 75 HB1 ALA 7 HB1 ALA 7 -0.056 -0.764 -2.056 76 HB2 ALA 7 HB2 ALA 7 0.098 -1.035 -0.319 77 HB3 ALA 7 HB3 ALA 7 -1.367 -0.301 -0.971 78 H VAL 8 H VAL 8 2.068 1.198 0.900 79 HA VAL 8 HA VAL 8 4.306 1.050 -1.002 80 HB VAL 8 HB VAL 8 4.315 2.157 1.811 81 HG11 VAL 8 2HG1 VAL 8 6.474 1.239 1.160 82 HG12 VAL 8 1HG1 VAL 8 6.543 3.000 1.231 83 HG13 VAL 8 3HG1 VAL 8 6.442 2.184 -0.329 84 HG21 VAL 8 3HG2 VAL 8 4.383 3.594 -0.842 85 HG22 VAL 8 2HG2 VAL 8 4.522 4.347 0.747 86 HG23 VAL 8 1HG2 VAL 8 3.020 3.552 0.276 87 H THR 9 H THR 9 5.130 -0.889 -1.135 88 HA THR 9 HA THR 9 5.320 -2.583 1.256 89 HB THR 9 HB THR 9 5.983 -4.366 -0.427 90 HG1 THR 9 HG1 THR 9 5.894 -2.220 -2.068 91 HG21 THR 9 3HG2 THR 9 3.682 -4.742 -1.201 92 HG22 THR 9 1HG2 THR 9 3.263 -3.091 -0.744 93 HG23 THR 9 2HG2 THR 9 3.727 -4.258 0.495 94 H ALA 10 H ALA 10 7.213 -2.596 2.296 95 HA ALA 10 HA ALA 10 9.666 -2.151 0.757 96 HB1 ALA 10 HB1 ALA 10 8.955 -0.584 3.231 97 HB2 ALA 10 HB2 ALA 10 10.487 -0.509 2.360 98 HB3 ALA 10 HB3 ALA 10 9.003 0.046 1.584 99 H CYS 11 H CYS 11 11.193 -3.538 1.298 100 HA CYS 11 HA CYS 11 11.585 -4.373 4.018 101 HB2 CYS 11 HB2 CYS 11 9.786 -5.922 3.219 102 HB3 CYS 11 HB3 CYS 11 10.879 -6.479 1.958 103 HG CYS 11 HG CYS 11 12.121 -8.238 3.361 104 H ALA 12 H ALA 12 13.699 -4.714 4.337 105 HA ALA 12 HA ALA 12 15.470 -4.388 2.086 106 HB1 ALA 12 HB1 ALA 12 16.122 -4.851 4.995 107 HB2 ALA 12 HB2 ALA 12 17.245 -4.328 3.741 108 HB3 ALA 12 HB3 ALA 12 15.917 -3.275 4.229 109 H THR 13 H THR 13 14.508 -6.944 4.281 110 HA THR 13 HA THR 13 16.441 -8.776 3.089 111 HB THR 13 HB THR 13 15.633 -10.341 4.884 112 HG1 THR 13 HG1 THR 13 14.613 -8.489 6.532 113 HG21 THR 13 3HG2 THR 13 16.802 -9.155 6.701 114 HG22 THR 13 1HG2 THR 13 16.725 -7.664 5.762 115 HG23 THR 13 2HG2 THR 13 17.668 -9.032 5.169 116 H GLY 14 H GLY 14 15.875 -10.172 1.556 117 HA2 GLY 14 HA1 GLY 14 14.585 -11.630 0.319 118 HA3 GLY 14 HA2 GLY 14 13.300 -11.432 1.503 119 H VAL 15 H VAL 15 14.902 -9.801 -1.190 120 HA VAL 15 HA VAL 15 13.051 -7.769 -1.635 121 HB VAL 15 HB VAL 15 14.686 -9.202 -3.744 122 HG11 VAL 15 2HG1 VAL 15 14.557 -7.081 -4.967 123 HG12 VAL 15 1HG1 VAL 15 13.502 -6.426 -3.715 124 HG13 VAL 15 3HG1 VAL 15 12.959 -7.779 -4.706 125 HG21 VAL 15 3HG2 VAL 15 16.097 -8.442 -1.913 126 HG22 VAL 15 2HG2 VAL 15 15.400 -6.826 -2.025 127 HG23 VAL 15 1HG2 VAL 15 16.370 -7.462 -3.354 128 H ALA 16 H ALA 16 13.017 -11.134 -2.665 129 HA ALA 16 HA ALA 16 10.876 -10.930 -4.501 130 HB1 ALA 16 HB1 ALA 16 12.383 -12.849 -4.470 131 HB2 ALA 16 HB2 ALA 16 11.763 -13.319 -2.886 132 HB3 ALA 16 HB3 ALA 16 10.703 -13.357 -4.295 133 H HIS 17 H HIS 17 11.019 -11.175 -1.030 134 HA HIS 17 HA HIS 17 8.248 -11.844 -0.670 135 HB2 HIS 17 HB2 HIS 17 10.308 -10.708 1.238 136 HB3 HIS 17 HB3 HIS 17 8.662 -11.104 1.712 137 HD1 HIS 17 HD1 HIS 17 10.106 -12.708 3.416 138 HD2 HIS 17 HD2 HIS 17 9.970 -13.805 -0.600 139 HE1 HIS 17 HE1 HIS 17 10.788 -15.125 3.343 140 HE2 HIS 17 HE2 HIS 17 10.766 -15.755 0.902 141 H THR 18 H THR 18 10.189 -8.905 -0.616 142 HA THR 18 HA THR 18 8.240 -7.032 0.024 143 HB THR 18 HB THR 18 10.419 -6.554 -2.010 144 HG1 THR 18 HG1 THR 18 11.715 -6.094 -0.067 145 HG21 THR 18 3HG2 THR 18 9.160 -4.814 0.115 146 HG22 THR 18 1HG2 THR 18 8.905 -4.685 -1.626 147 HG23 THR 18 2HG2 THR 18 10.490 -4.331 -0.938 148 H TYR 19 H TYR 19 9.267 -8.211 -3.171 149 HA TYR 19 HA TYR 19 7.348 -6.701 -4.610 150 HB2 TYR 19 HB2 TYR 19 9.410 -7.528 -5.661 151 HB3 TYR 19 HB3 TYR 19 8.850 -9.186 -5.463 152 HD1 TYR 19 HD2 TYR 19 8.042 -5.970 -7.137 153 HD2 TYR 19 HD1 TYR 19 7.487 -10.189 -7.095 154 HE1 TYR 19 HE2 TYR 19 6.899 -5.836 -9.308 155 HE2 TYR 19 HE1 TYR 19 6.340 -10.065 -9.267 156 HH TYR 19 HH TYR 19 6.405 -7.286 -11.221 157 H MET 20 H MET 20 7.299 -9.895 -3.159 158 HA MET 20 HA MET 20 5.031 -10.881 -4.495 159 HB2 MET 20 HB2 MET 20 6.548 -12.285 -3.127 160 HB3 MET 20 HB3 MET 20 5.894 -11.528 -1.679 161 HG2 MET 20 HG2 MET 20 3.675 -12.378 -2.213 162 HG3 MET 20 HG3 MET 20 4.315 -13.120 -3.684 163 HE1 MET 20 HE1 MET 20 3.527 -15.523 -3.189 164 HE2 MET 20 HE2 MET 20 3.725 -16.340 -1.638 165 HE3 MET 20 HE3 MET 20 2.685 -14.920 -1.760 166 H ALA 21 H ALA 21 5.352 -9.126 -1.423 167 HA ALA 21 HA ALA 21 2.622 -9.021 -0.793 168 HB1 ALA 21 HB1 ALA 21 3.219 -7.092 0.613 169 HB2 ALA 21 HB2 ALA 21 4.348 -8.433 0.816 170 HB3 ALA 21 HB3 ALA 21 4.804 -7.037 -0.157 171 H ALA 22 H ALA 22 4.658 -7.012 -2.821 172 HA ALA 22 HA ALA 22 2.823 -4.941 -3.304 173 HB1 ALA 22 HB1 ALA 22 4.263 -4.343 -5.177 174 HB2 ALA 22 HB2 ALA 22 5.216 -4.730 -3.744 175 HB3 ALA 22 HB3 ALA 22 5.080 -5.901 -5.056 176 H GLN 23 H GLN 23 3.587 -7.860 -5.208 177 HA GLN 23 HA GLN 23 1.633 -7.236 -7.196 178 HB2 GLN 23 HB2 GLN 23 2.119 -9.420 -8.143 179 HB3 GLN 23 HB3 GLN 23 3.607 -8.581 -7.737 180 HG2 GLN 23 HG2 GLN 23 3.904 -9.937 -5.783 181 HG3 GLN 23 HG3 GLN 23 2.336 -10.704 -6.028 182 HE21 GLN 23 1HE2 GLN 23 4.999 -11.877 -5.871 183 HE22 GLN 23 2HE2 GLN 23 5.233 -12.753 -7.344 184 H ALA 24 H ALA 24 1.607 -9.079 -4.226 185 HA ALA 24 HA ALA 24 -0.852 -10.425 -4.681 186 HB1 ALA 24 HB1 ALA 24 0.442 -9.629 -2.068 187 HB2 ALA 24 HB2 ALA 24 -0.892 -10.769 -2.250 188 HB3 ALA 24 HB3 ALA 24 0.690 -11.148 -2.931 189 H LEU 25 H LEU 25 -0.025 -7.414 -2.997 190 HA LEU 25 HA LEU 25 -2.664 -6.608 -2.429 191 HB2 LEU 25 HB2 LEU 25 -0.143 -5.034 -2.885 192 HB3 LEU 25 HB3 LEU 25 -1.663 -4.256 -2.490 193 HG LEU 25 HG LEU 25 -0.272 -6.298 -0.759 194 HD11 LEU 25 2HD1 LEU 25 0.987 -4.219 -0.861 195 HD12 LEU 25 1HD1 LEU 25 0.214 -4.401 0.714 196 HD13 LEU 25 3HD1 LEU 25 -0.471 -3.302 -0.482 197 HD21 LEU 25 3HD2 LEU 25 -1.907 -5.634 0.930 198 HD22 LEU 25 2HD2 LEU 25 -2.696 -6.309 -0.496 199 HD23 LEU 25 1HD2 LEU 25 -2.682 -4.564 -0.239 200 H LYS 26 H LYS 26 -0.627 -5.954 -5.258 201 HA LYS 26 HA LYS 26 -2.410 -4.360 -6.710 202 HB2 LYS 26 HB2 LYS 26 -0.023 -4.747 -7.291 203 HB3 LYS 26 HB3 LYS 26 -0.428 -6.384 -7.783 204 HG2 LYS 26 HG2 LYS 26 -2.019 -5.327 -9.456 205 HG3 LYS 26 HG3 LYS 26 -1.218 -3.799 -9.086 206 HD2 LYS 26 HD2 LYS 26 0.180 -6.293 -10.051 207 HD3 LYS 26 HD3 LYS 26 -0.280 -4.935 -11.077 208 HE2 LYS 26 HE2 LYS 26 1.478 -4.586 -8.666 209 HE3 LYS 26 HE3 LYS 26 2.135 -5.026 -10.242 210 HZ1 LYS 26 HZ1 LYS 26 2.238 -2.657 -9.925 211 HZ2 LYS 26 HZ2 LYS 26 0.574 -2.570 -9.620 212 HZ3 LYS 26 HZ3 LYS 26 1.133 -3.006 -11.159 213 H LYS 27 H LYS 27 -2.101 -7.841 -6.430 214 HA LYS 27 HA LYS 27 -4.023 -8.603 -8.341 215 HB2 LYS 27 HB2 LYS 27 -2.282 -10.073 -7.440 216 HB3 LYS 27 HB3 LYS 27 -3.013 -9.979 -5.849 217 HG2 LYS 27 HG2 LYS 27 -4.983 -11.142 -6.672 218 HG3 LYS 27 HG3 LYS 27 -4.265 -11.220 -8.286 219 HD2 LYS 27 HD2 LYS 27 -3.895 -13.319 -7.130 220 HD3 LYS 27 HD3 LYS 27 -2.365 -12.466 -7.351 221 HE2 LYS 27 HE2 LYS 27 -2.391 -13.354 -5.135 222 HE3 LYS 27 HE3 LYS 27 -2.575 -11.606 -5.026 223 HZ1 LYS 27 HZ1 LYS 27 -5.024 -12.021 -4.841 224 HZ2 LYS 27 HZ2 LYS 27 -4.106 -12.577 -3.528 225 HZ3 LYS 27 HZ3 LYS 27 -4.672 -13.674 -4.686 226 H GLY 28 H GLY 28 -4.211 -8.305 -4.795 227 HA2 GLY 28 HA1 GLY 28 -6.868 -9.111 -4.495 228 HA3 GLY 28 HA2 GLY 28 -5.987 -8.100 -3.363 229 H ALA 29 H ALA 29 -5.589 -5.795 -4.746 230 HA ALA 29 HA ALA 29 -8.096 -4.527 -4.555 231 HB1 ALA 29 HB1 ALA 29 -6.986 -2.544 -5.392 232 HB2 ALA 29 HB2 ALA 29 -5.964 -3.367 -4.213 233 HB3 ALA 29 HB3 ALA 29 -5.618 -3.515 -5.936 234 H LYS 30 H LYS 30 -6.356 -5.872 -7.284 235 HA LYS 30 HA LYS 30 -8.025 -4.773 -9.303 236 HB2 LYS 30 HB2 LYS 30 -5.791 -5.646 -9.804 237 HB3 LYS 30 HB3 LYS 30 -6.304 -7.260 -9.334 238 HG2 LYS 30 HG2 LYS 30 -7.898 -7.298 -11.182 239 HG3 LYS 30 HG3 LYS 30 -7.391 -5.677 -11.652 240 HD2 LYS 30 HD2 LYS 30 -5.463 -7.978 -11.476 241 HD3 LYS 30 HD3 LYS 30 -6.379 -7.627 -12.941 242 HE2 LYS 30 HE2 LYS 30 -4.286 -6.576 -13.222 243 HE3 LYS 30 HE3 LYS 30 -5.421 -5.289 -12.824 244 HZ1 LYS 30 HZ1 LYS 30 -3.326 -5.062 -11.637 245 HZ2 LYS 30 HZ2 LYS 30 -3.541 -6.582 -10.915 246 HZ3 LYS 30 HZ3 LYS 30 -4.607 -5.311 -10.555 247 H LYS 31 H LYS 31 -8.074 -7.737 -7.411 248 HA LYS 31 HA LYS 31 -10.176 -9.060 -8.707 249 HB2 LYS 31 HB2 LYS 31 -8.731 -10.115 -7.009 250 HB3 LYS 31 HB3 LYS 31 -9.443 -9.089 -5.770 251 HG2 LYS 31 HG2 LYS 31 -10.440 -11.257 -5.634 252 HG3 LYS 31 HG3 LYS 31 -11.645 -10.124 -6.249 253 HD2 LYS 31 HD2 LYS 31 -11.823 -12.095 -7.560 254 HD3 LYS 31 HD3 LYS 31 -11.023 -10.884 -8.564 255 HE2 LYS 31 HE2 LYS 31 -9.869 -12.954 -8.852 256 HE3 LYS 31 HE3 LYS 31 -8.837 -11.887 -7.902 257 HZ1 LYS 31 HZ1 LYS 31 -10.576 -14.007 -6.765 258 HZ2 LYS 31 HZ2 LYS 31 -9.475 -13.045 -5.906 259 HZ3 LYS 31 HZ3 LYS 31 -8.914 -14.173 -7.045 260 H MET 32 H MET 32 -10.166 -6.656 -6.127 261 HA MET 32 HA MET 32 -12.997 -6.723 -5.717 262 HB2 MET 32 HB2 MET 32 -10.922 -4.685 -4.895 263 HB3 MET 32 HB3 MET 32 -12.593 -4.692 -4.348 264 HG2 MET 32 HG2 MET 32 -12.268 -6.793 -3.225 265 HG3 MET 32 HG3 MET 32 -10.632 -6.923 -3.872 266 HE1 MET 32 HE1 MET 32 -12.352 -3.625 -2.551 267 HE2 MET 32 HE2 MET 32 -13.022 -4.886 -1.513 268 HE3 MET 32 HE3 MET 32 -11.920 -3.684 -0.841 269 H GLY 33 H GLY 33 -10.879 -5.049 -7.875 270 HA2 GLY 33 HA1 GLY 33 -11.573 -3.957 -9.835 271 HA3 GLY 33 HA2 GLY 33 -13.183 -3.782 -9.149 272 H ASN 34 H ASN 34 -9.867 -2.789 -8.349 273 HA ASN 34 HA ASN 34 -10.900 -0.101 -7.733 274 HB2 ASN 34 HB2 ASN 34 -8.923 -1.746 -6.137 275 HB3 ASN 34 HB3 ASN 34 -9.288 -0.053 -5.829 276 HD21 ASN 34 1HD2 ASN 34 -9.717 -2.768 -4.455 277 HD22 ASN 34 2HD2 ASN 34 -11.342 -2.651 -3.876 278 H LEU 35 H LEU 35 -8.904 1.401 -7.330 279 HA LEU 35 HA LEU 35 -6.925 0.918 -9.463 280 HB2 LEU 35 HB2 LEU 35 -8.169 3.474 -8.460 281 HB3 LEU 35 HB3 LEU 35 -6.649 3.482 -9.328 282 HG LEU 35 HG LEU 35 -7.856 2.352 -11.238 283 HD11 LEU 35 2HD1 LEU 35 -9.781 1.526 -9.972 284 HD12 LEU 35 1HD1 LEU 35 -10.273 2.542 -11.326 285 HD13 LEU 35 3HD1 LEU 35 -10.298 3.188 -9.685 286 HD21 LEU 35 3HD2 LEU 35 -8.794 5.092 -10.403 287 HD22 LEU 35 2HD2 LEU 35 -8.824 4.440 -12.041 288 HD23 LEU 35 1HD2 LEU 35 -7.282 4.722 -11.234 289 H ILE 36 H ILE 36 -5.052 0.282 -8.552 290 HA ILE 36 HA ILE 36 -4.318 1.511 -5.987 291 HB ILE 36 HB ILE 36 -5.179 -0.772 -5.617 292 HG12 ILE 36 2HG1 ILE 36 -2.204 -0.487 -5.147 293 HG13 ILE 36 3HG1 ILE 36 -3.465 0.211 -4.139 294 HG21 ILE 36 2HG2 ILE 36 -4.545 -1.768 -7.757 295 HG22 ILE 36 1HG2 ILE 36 -3.923 -2.712 -6.405 296 HG23 ILE 36 3HG2 ILE 36 -2.842 -1.654 -7.312 297 HD11 ILE 36 3HD1 ILE 36 -4.245 -2.032 -3.568 298 HD12 ILE 36 2HD1 ILE 36 -2.551 -1.795 -3.136 299 HD13 ILE 36 1HD1 ILE 36 -2.973 -2.725 -4.574 300 H LYS 37 H LYS 37 -2.329 2.255 -5.836 301 HA LYS 37 HA LYS 37 -0.359 1.407 -7.855 302 HB2 LYS 37 HB2 LYS 37 -0.810 4.071 -6.561 303 HB3 LYS 37 HB3 LYS 37 0.761 3.640 -7.227 304 HG2 LYS 37 HG2 LYS 37 -0.861 2.973 -9.287 305 HG3 LYS 37 HG3 LYS 37 -1.733 4.345 -8.591 306 HD2 LYS 37 HD2 LYS 37 0.239 5.719 -8.737 307 HD3 LYS 37 HD3 LYS 37 1.189 4.337 -9.285 308 HE2 LYS 37 HE2 LYS 37 -0.033 4.236 -11.344 309 HE3 LYS 37 HE3 LYS 37 -1.170 5.464 -10.783 310 HZ1 LYS 37 HZ1 LYS 37 0.515 7.109 -10.838 311 HZ2 LYS 37 HZ2 LYS 37 0.591 6.290 -12.327 312 HZ3 LYS 37 HZ3 LYS 37 1.735 5.964 -11.116 313 H VAL 38 H VAL 38 0.816 -0.104 -6.917 314 HA VAL 38 HA VAL 38 1.519 0.152 -4.094 315 HB VAL 38 HB VAL 38 2.182 -2.148 -5.927 316 HG11 VAL 38 2HG1 VAL 38 2.342 -3.399 -3.822 317 HG12 VAL 38 1HG1 VAL 38 2.025 -1.915 -2.925 318 HG13 VAL 38 3HG1 VAL 38 3.494 -2.067 -3.892 319 HG21 VAL 38 3HG2 VAL 38 0.212 -3.282 -5.015 320 HG22 VAL 38 2HG2 VAL 38 -0.232 -1.834 -5.918 321 HG23 VAL 38 1HG2 VAL 38 -0.235 -1.809 -4.154 322 H GLU 39 H GLU 39 3.397 0.887 -3.457 323 HA GLU 39 HA GLU 39 5.575 1.232 -5.386 324 HB2 GLU 39 HB2 GLU 39 4.965 3.209 -4.107 325 HB3 GLU 39 HB3 GLU 39 5.121 2.327 -2.596 326 HG2 GLU 39 HG2 GLU 39 7.490 2.159 -2.863 327 HG3 GLU 39 HG3 GLU 39 7.398 2.837 -4.489 328 H THR 40 H THR 40 7.393 0.031 -5.296 329 HA THR 40 HA THR 40 7.677 -1.827 -3.039 330 HB THR 40 HB THR 40 9.009 -2.051 -5.740 331 HG1 THR 40 HG1 THR 40 6.527 -3.083 -4.808 332 HG21 THR 40 3HG2 THR 40 10.072 -3.309 -3.923 333 HG22 THR 40 1HG2 THR 40 9.320 -4.392 -5.095 334 HG23 THR 40 2HG2 THR 40 8.528 -4.077 -3.551 335 H GLN 41 H GLN 41 8.936 -0.817 -1.569 336 HA GLN 41 HA GLN 41 11.324 0.599 -2.541 337 HB2 GLN 41 HB2 GLN 41 9.603 1.767 -1.067 338 HB3 GLN 41 HB3 GLN 41 10.140 0.713 0.232 339 HG2 GLN 41 HG2 GLN 41 12.205 1.724 0.384 340 HG3 GLN 41 HG3 GLN 41 12.121 2.377 -1.251 341 HE21 GLN 41 1HE2 GLN 41 9.346 3.299 -0.827 342 HE22 GLN 41 2HE2 GLN 41 9.476 4.714 0.145 343 H GLY 42 H GLY 42 13.097 -0.608 -2.540 344 HA2 GLY 42 HA1 GLY 42 13.202 -2.895 -0.693 345 HA3 GLY 42 HA2 GLY 42 14.082 -2.769 -2.208 346 H ALA 43 H ALA 43 16.135 -2.179 -2.128 347 HA ALA 43 HA ALA 43 17.236 -1.594 0.508 348 HB1 ALA 43 HB1 ALA 43 18.642 -2.309 -2.063 349 HB2 ALA 43 HB2 ALA 43 19.401 -2.138 -0.481 350 HB3 ALA 43 HB3 ALA 43 18.227 -3.424 -0.762 351 H THR 44 H THR 44 16.493 0.562 0.608 352 HA THR 44 HA THR 44 16.511 2.807 0.352 353 HB THR 44 HB THR 44 18.749 3.871 -0.062 354 HG1 THR 44 HG1 THR 44 19.352 1.507 -1.063 355 HG21 THR 44 3HG2 THR 44 17.990 3.376 2.182 356 HG22 THR 44 1HG2 THR 44 19.721 3.070 2.053 357 HG23 THR 44 2HG2 THR 44 18.584 1.721 2.045 358 H GLY 45 H GLY 45 15.937 1.120 -2.024 359 HA2 GLY 45 HA1 GLY 45 16.067 3.291 -3.992 360 HA3 GLY 45 HA2 GLY 45 16.576 1.671 -4.467 361 H ILE 46 H ILE 46 14.349 3.213 -5.542 362 HA ILE 46 HA ILE 46 12.070 1.709 -4.443 363 HB ILE 46 HB ILE 46 11.523 4.017 -6.217 364 HG12 ILE 46 2HG1 ILE 46 13.368 4.864 -4.754 365 HG13 ILE 46 3HG1 ILE 46 11.840 5.700 -4.522 366 HG21 ILE 46 2HG2 ILE 46 9.719 4.355 -4.555 367 HG22 ILE 46 1HG2 ILE 46 10.345 2.977 -3.647 368 HG23 ILE 46 3HG2 ILE 46 9.718 2.748 -5.280 369 HD11 ILE 46 3HD1 ILE 46 12.932 5.318 -2.408 370 HD12 ILE 46 2HD1 ILE 46 13.005 3.587 -2.729 371 HD13 ILE 46 1HD1 ILE 46 11.444 4.374 -2.497 372 H GLU 47 H GLU 47 11.042 0.299 -5.712 373 HA GLU 47 HA GLU 47 11.906 -0.108 -8.437 374 HB2 GLU 47 HB2 GLU 47 11.352 -1.990 -6.922 375 HB3 GLU 47 HB3 GLU 47 9.688 -1.428 -6.855 376 HG2 GLU 47 HG2 GLU 47 9.757 -3.236 -8.380 377 HG3 GLU 47 HG3 GLU 47 9.569 -1.764 -9.331 378 H ASN 48 H ASN 48 8.905 0.801 -6.796 379 HA ASN 48 HA ASN 48 8.013 2.143 -9.257 380 HB2 ASN 48 HB2 ASN 48 6.771 -0.015 -8.877 381 HB3 ASN 48 HB3 ASN 48 6.202 0.640 -7.350 382 HD21 ASN 48 1HD2 ASN 48 4.675 2.280 -7.349 383 HD22 ASN 48 2HD2 ASN 48 3.740 2.669 -8.754 384 H GLU 49 H GLU 49 8.918 4.042 -8.214 385 HA GLU 49 HA GLU 49 7.931 4.850 -5.669 386 HB2 GLU 49 HB2 GLU 49 9.100 7.001 -6.157 387 HB3 GLU 49 HB3 GLU 49 10.117 5.570 -6.213 388 HG2 GLU 49 HG2 GLU 49 9.907 5.570 -8.661 389 HG3 GLU 49 HG3 GLU 49 8.997 7.076 -8.552 390 H LEU 50 H LEU 50 6.171 5.877 -5.165 391 HA LEU 50 HA LEU 50 4.282 6.577 -7.213 392 HB2 LEU 50 HB2 LEU 50 4.149 7.086 -4.238 393 HB3 LEU 50 HB3 LEU 50 2.806 7.149 -5.364 394 HG LEU 50 HG LEU 50 4.367 4.672 -4.621 395 HD11 LEU 50 2HD1 LEU 50 1.570 5.551 -3.924 396 HD12 LEU 50 1HD1 LEU 50 2.937 5.436 -2.816 397 HD13 LEU 50 3HD1 LEU 50 2.272 3.977 -3.550 398 HD21 LEU 50 3HD2 LEU 50 1.956 5.000 -6.405 399 HD22 LEU 50 2HD2 LEU 50 2.687 3.470 -5.924 400 HD23 LEU 50 1HD2 LEU 50 3.590 4.600 -6.933 401 H THR 51 H THR 51 3.416 8.639 -7.637 402 HA THR 51 HA THR 51 5.238 10.826 -6.905 403 HB THR 51 HB THR 51 4.363 12.030 -8.874 404 HG1 THR 51 HG1 THR 51 2.796 9.673 -9.139 405 HG21 THR 51 3HG2 THR 51 5.433 9.276 -9.474 406 HG22 THR 51 1HG2 THR 51 6.388 10.708 -9.097 407 HG23 THR 51 2HG2 THR 51 5.446 10.644 -10.587 408 H GLU 52 H GLU 52 3.965 13.037 -7.016 409 HA GLU 52 HA GLU 52 2.428 13.063 -4.683 410 HB2 GLU 52 HB2 GLU 52 3.769 14.952 -5.859 411 HB3 GLU 52 HB3 GLU 52 2.269 15.253 -6.727 412 HG2 GLU 52 HG2 GLU 52 2.302 16.731 -4.893 413 HG3 GLU 52 HG3 GLU 52 1.142 15.462 -4.496 414 H LYS 53 H LYS 53 1.469 13.229 -8.081 415 HA LYS 53 HA LYS 53 -1.245 13.776 -7.706 416 HB2 LYS 53 HB2 LYS 53 -1.574 12.938 -9.977 417 HB3 LYS 53 HB3 LYS 53 -0.138 13.946 -9.885 418 HG2 LYS 53 HG2 LYS 53 1.252 11.918 -9.789 419 HG3 LYS 53 HG3 LYS 53 -0.204 10.937 -9.953 420 HD2 LYS 53 HD2 LYS 53 0.756 12.967 -11.971 421 HD3 LYS 53 HD3 LYS 53 1.025 11.229 -12.081 422 HE2 LYS 53 HE2 LYS 53 -0.827 11.483 -13.416 423 HE3 LYS 53 HE3 LYS 53 -1.571 11.097 -11.867 424 HZ1 LYS 53 HZ1 LYS 53 -1.181 13.854 -12.900 425 HZ2 LYS 53 HZ2 LYS 53 -2.047 13.407 -11.512 426 HZ3 LYS 53 HZ3 LYS 53 -2.621 12.975 -13.047 427 H ASP 54 H ASP 54 0.479 10.696 -7.691 428 HA ASP 54 HA ASP 54 -1.832 9.041 -7.744 429 HB2 ASP 54 HB2 ASP 54 0.848 8.329 -6.537 430 HB3 ASP 54 HB3 ASP 54 -0.370 7.222 -7.157 431 H VAL 55 H VAL 55 0.193 10.356 -5.250 432 HA VAL 55 HA VAL 55 -0.871 9.004 -3.041 433 HB VAL 55 HB VAL 55 0.529 11.661 -3.287 434 HG11 VAL 55 2HG1 VAL 55 -0.124 10.079 -0.811 435 HG12 VAL 55 1HG1 VAL 55 -0.735 11.679 -1.239 436 HG13 VAL 55 3HG1 VAL 55 0.977 11.456 -0.872 437 HG21 VAL 55 3HG2 VAL 55 1.818 9.720 -4.003 438 HG22 VAL 55 2HG2 VAL 55 1.498 8.930 -2.459 439 HG23 VAL 55 1HG2 VAL 55 2.471 10.400 -2.513 440 H ASN 56 H ASN 56 -1.699 12.113 -4.502 441 HA ASN 56 HA ASN 56 -3.579 12.761 -2.426 442 HB2 ASN 56 HB2 ASN 56 -2.833 14.082 -5.030 443 HB3 ASN 56 HB3 ASN 56 -4.094 14.715 -3.972 444 HD21 ASN 56 1HD2 ASN 56 -1.344 15.663 -4.794 445 HD22 ASN 56 2HD2 ASN 56 -0.573 16.055 -3.300 446 H ILE 57 H ILE 57 -3.712 10.897 -5.244 447 HA ILE 57 HA ILE 57 -6.594 11.149 -5.534 448 HB ILE 57 HB ILE 57 -4.563 9.402 -6.929 449 HG12 ILE 57 2HG1 ILE 57 -6.366 11.613 -7.935 450 HG13 ILE 57 3HG1 ILE 57 -4.652 11.788 -7.577 451 HG21 ILE 57 2HG2 ILE 57 -6.614 8.117 -6.683 452 HG22 ILE 57 1HG2 ILE 57 -6.381 8.605 -8.361 453 HG23 ILE 57 3HG2 ILE 57 -7.548 9.456 -7.351 454 HD11 ILE 57 3HD1 ILE 57 -5.830 9.997 -9.688 455 HD12 ILE 57 2HD1 ILE 57 -4.112 10.207 -9.344 456 HD13 ILE 57 1HD1 ILE 57 -5.060 11.560 -9.965 457 H GLY 58 H GLY 58 -4.214 8.798 -4.371 458 HA2 GLY 58 HA1 GLY 58 -5.957 6.708 -3.725 459 HA3 GLY 58 HA2 GLY 58 -4.409 7.009 -2.953 460 H GLU 59 H GLU 59 -7.361 6.337 -2.191 461 HA GLU 59 HA GLU 59 -8.112 8.393 -0.341 462 HB2 GLU 59 HB2 GLU 59 -9.077 5.537 -0.631 463 HB3 GLU 59 HB3 GLU 59 -9.843 6.769 0.359 464 HG2 GLU 59 HG2 GLU 59 -9.480 7.114 -2.597 465 HG3 GLU 59 HG3 GLU 59 -10.866 6.267 -1.912 466 H VAL 60 H VAL 60 -6.963 5.043 0.023 467 HA VAL 60 HA VAL 60 -6.008 5.755 2.717 468 HB VAL 60 HB VAL 60 -6.250 3.338 3.295 469 HG11 VAL 60 2HG1 VAL 60 -7.948 4.976 3.948 470 HG12 VAL 60 1HG1 VAL 60 -8.665 3.400 3.614 471 HG13 VAL 60 3HG1 VAL 60 -8.799 4.699 2.429 472 HG21 VAL 60 3HG2 VAL 60 -7.727 3.209 0.667 473 HG22 VAL 60 2HG2 VAL 60 -7.685 1.930 1.883 474 HG23 VAL 60 1HG2 VAL 60 -6.205 2.405 1.048 475 H VAL 61 H VAL 61 -4.047 4.813 3.409 476 HA VAL 61 HA VAL 61 -2.309 3.903 1.203 477 HB VAL 61 HB VAL 61 -1.332 5.257 3.707 478 HG11 VAL 61 2HG1 VAL 61 0.316 3.975 2.488 479 HG12 VAL 61 1HG1 VAL 61 0.655 5.700 2.332 480 HG13 VAL 61 3HG1 VAL 61 -0.092 4.823 0.997 481 HG21 VAL 61 3HG2 VAL 61 -2.846 6.813 2.606 482 HG22 VAL 61 2HG2 VAL 61 -1.988 6.583 1.081 483 HG23 VAL 61 1HG2 VAL 61 -1.172 7.346 2.446 484 H ILE 62 H ILE 62 -1.643 1.859 1.420 485 HA ILE 62 HA ILE 62 -1.697 0.672 4.107 486 HB ILE 62 HB ILE 62 -1.686 -0.607 1.365 487 HG12 ILE 62 2HG1 ILE 62 -3.747 -1.750 2.379 488 HG13 ILE 62 3HG1 ILE 62 -3.646 -0.548 3.658 489 HG21 ILE 62 2HG2 ILE 62 -1.379 -1.985 4.030 490 HG22 ILE 62 1HG2 ILE 62 -0.169 -1.889 2.752 491 HG23 ILE 62 3HG2 ILE 62 -1.660 -2.794 2.488 492 HD11 ILE 62 3HD1 ILE 62 -3.914 1.225 2.004 493 HD12 ILE 62 2HD1 ILE 62 -5.265 0.092 1.977 494 HD13 ILE 62 1HD1 ILE 62 -4.023 0.013 0.727 495 H PHE 63 H PHE 63 0.128 0.095 5.117 496 HA PHE 63 HA PHE 63 2.630 0.261 3.577 497 HB2 PHE 63 HB2 PHE 63 2.072 0.959 6.454 498 HB3 PHE 63 HB3 PHE 63 3.704 0.697 5.845 499 HD1 PHE 63 HD1 PHE 63 4.563 2.162 4.017 500 HD2 PHE 63 HD2 PHE 63 0.977 3.005 6.145 501 HE1 PHE 63 HE1 PHE 63 4.679 4.504 3.276 502 HE2 PHE 63 HE2 PHE 63 1.087 5.347 5.407 503 HZ PHE 63 HZ PHE 63 2.939 6.095 3.967 504 H ALA 64 H ALA 64 3.435 -1.645 3.188 505 HA ALA 64 HA ALA 64 3.459 -3.624 5.378 506 HB1 ALA 64 HB1 ALA 64 3.693 -4.065 2.392 507 HB2 ALA 64 HB2 ALA 64 3.871 -5.319 3.615 508 HB3 ALA 64 HB3 ALA 64 2.323 -4.504 3.412 509 H VAL 65 H VAL 65 5.323 -2.883 6.413 510 HA VAL 65 HA VAL 65 7.701 -2.649 4.715 511 HB VAL 65 HB VAL 65 8.395 -0.609 5.953 512 HG11 VAL 65 2HG1 VAL 65 5.824 -0.428 4.380 513 HG12 VAL 65 1HG1 VAL 65 7.458 -0.450 3.716 514 HG13 VAL 65 3HG1 VAL 65 6.922 0.915 4.697 515 HG21 VAL 65 3HG2 VAL 65 6.991 -0.844 7.927 516 HG22 VAL 65 2HG2 VAL 65 5.541 -0.653 6.942 517 HG23 VAL 65 1HG2 VAL 65 6.667 0.692 7.124 518 H ASP 66 H ASP 66 9.474 -3.414 5.439 519 HA ASP 66 HA ASP 66 9.741 -4.296 8.226 520 HB2 ASP 66 HB2 ASP 66 10.290 -6.085 6.825 521 HB3 ASP 66 HB3 ASP 66 11.031 -5.045 5.619 522 H THR 67 H THR 67 10.762 -1.966 5.954 523 HA THR 67 HA THR 67 12.806 -0.967 7.812 524 HB THR 67 HB THR 67 13.854 -1.988 5.807 525 HG1 THR 67 HG1 THR 67 15.293 -0.371 5.567 526 HG21 THR 67 3HG2 THR 67 12.108 -1.596 4.169 527 HG22 THR 67 1HG2 THR 67 13.621 -0.875 3.621 528 HG23 THR 67 2HG2 THR 67 12.350 0.146 4.292 529 H LYS 68 H LYS 68 13.372 1.408 6.598 530 HA LYS 68 HA LYS 68 10.976 2.941 7.191 531 HB2 LYS 68 HB2 LYS 68 13.139 3.593 8.159 532 HB3 LYS 68 HB3 LYS 68 13.807 3.792 6.548 533 HG2 LYS 68 HG2 LYS 68 11.940 5.536 6.223 534 HG3 LYS 68 HG3 LYS 68 11.816 5.498 7.983 535 HD2 LYS 68 HD2 LYS 68 13.314 7.274 7.352 536 HD3 LYS 68 HD3 LYS 68 14.251 5.985 8.112 537 HE2 LYS 68 HE2 LYS 68 14.780 5.131 5.821 538 HE3 LYS 68 HE3 LYS 68 13.999 6.568 5.164 539 HZ1 LYS 68 HZ1 LYS 68 16.311 6.988 5.244 540 HZ2 LYS 68 HZ2 LYS 68 16.437 6.448 6.849 541 HZ3 LYS 68 HZ3 LYS 68 15.622 7.894 6.505 542 H VAL 69 H VAL 69 10.006 4.420 5.741 543 HA VAL 69 HA VAL 69 10.874 4.176 2.935 544 HB VAL 69 HB VAL 69 8.588 4.478 2.186 545 HG11 VAL 69 2HG1 VAL 69 8.810 2.291 4.241 546 HG12 VAL 69 1HG1 VAL 69 9.314 2.203 2.553 547 HG13 VAL 69 3HG1 VAL 69 7.605 2.367 2.958 548 HG21 VAL 69 3HG2 VAL 69 7.776 5.873 4.016 549 HG22 VAL 69 2HG2 VAL 69 7.802 4.479 5.095 550 HG23 VAL 69 1HG2 VAL 69 6.699 4.508 3.716 551 H ARG 70 H ARG 70 10.967 6.039 1.719 552 HA ARG 70 HA ARG 70 11.310 8.463 3.211 553 HB2 ARG 70 HB2 ARG 70 12.078 9.442 1.160 554 HB3 ARG 70 HB3 ARG 70 12.724 7.810 1.245 555 HG2 ARG 70 HG2 ARG 70 11.080 7.021 -0.326 556 HG3 ARG 70 HG3 ARG 70 10.276 8.590 -0.328 557 HD2 ARG 70 HD2 ARG 70 12.467 9.552 -1.165 558 HD3 ARG 70 HD3 ARG 70 12.988 7.887 -1.424 559 HE ARG 70 HE ARG 70 10.454 8.560 -2.638 560 HH11 ARG 70 2HH1 ARG 70 13.930 8.434 -3.081 561 HH12 ARG 70 1HH1 ARG 70 13.828 8.403 -4.818 562 HH21 ARG 70 2HH2 ARG 70 10.326 8.528 -4.917 563 HH22 ARG 70 1HH2 ARG 70 11.788 8.462 -5.858 564 H ASN 71 H ASN 71 8.783 7.115 1.228 565 HA ASN 71 HA ASN 71 7.649 9.686 0.615 566 HB2 ASN 71 HB2 ASN 71 6.990 6.887 -0.193 567 HB3 ASN 71 HB3 ASN 71 5.824 8.181 -0.468 568 HD21 ASN 71 1HD2 ASN 71 7.295 6.591 -2.421 569 HD22 ASN 71 2HD2 ASN 71 8.190 7.736 -3.367 570 H LYS 72 H LYS 72 7.374 7.693 3.272 571 HA LYS 72 HA LYS 72 4.628 7.865 3.885 572 HB2 LYS 72 HB2 LYS 72 6.308 6.461 5.134 573 HB3 LYS 72 HB3 LYS 72 6.880 7.934 5.905 574 HG2 LYS 72 HG2 LYS 72 4.658 8.288 6.866 575 HG3 LYS 72 HG3 LYS 72 4.091 6.808 6.091 576 HD2 LYS 72 HD2 LYS 72 5.834 5.559 7.363 577 HD3 LYS 72 HD3 LYS 72 6.207 7.051 8.227 578 HE2 LYS 72 HE2 LYS 72 3.867 7.146 9.010 579 HE3 LYS 72 HE3 LYS 72 3.551 5.615 8.194 580 HZ1 LYS 72 HZ1 LYS 72 5.383 4.672 9.609 581 HZ2 LYS 72 HZ2 LYS 72 3.963 5.095 10.433 582 HZ3 LYS 72 HZ3 LYS 72 5.326 6.106 10.519 583 H GLU 73 H GLU 73 7.172 10.135 3.924 584 HA GLU 73 HA GLU 73 6.540 12.171 5.553 585 HB2 GLU 73 HB2 GLU 73 8.370 12.170 3.921 586 HB3 GLU 73 HB3 GLU 73 7.217 12.371 2.612 587 HG2 GLU 73 HG2 GLU 73 8.258 14.461 3.064 588 HG3 GLU 73 HG3 GLU 73 6.573 14.544 3.573 589 H ARG 74 H ARG 74 4.987 11.695 2.345 590 HA ARG 74 HA ARG 74 3.118 13.818 2.903 591 HB2 ARG 74 HB2 ARG 74 2.267 13.363 0.674 592 HB3 ARG 74 HB3 ARG 74 4.020 13.492 0.661 593 HG2 ARG 74 HG2 ARG 74 4.001 10.928 0.825 594 HG3 ARG 74 HG3 ARG 74 2.307 11.060 0.337 595 HD2 ARG 74 HD2 ARG 74 3.276 10.902 -1.714 596 HD3 ARG 74 HD3 ARG 74 3.336 12.646 -1.480 597 HE ARG 74 HE ARG 74 5.681 11.194 -0.609 598 HH11 ARG 74 2HH1 ARG 74 4.131 13.158 -3.059 599 HH12 ARG 74 1HH1 ARG 74 5.595 13.390 -3.981 600 HH21 ARG 74 2HH2 ARG 74 7.609 11.494 -1.819 601 HH22 ARG 74 1HH2 ARG 74 7.567 12.461 -3.258 602 H PHE 75 H PHE 75 3.047 10.280 2.888 603 HA PHE 75 HA PHE 75 0.254 9.997 3.162 604 HB2 PHE 75 HB2 PHE 75 2.424 8.144 4.164 605 HB3 PHE 75 HB3 PHE 75 0.742 7.727 3.883 606 HD1 PHE 75 HD1 PHE 75 0.094 8.738 1.308 607 HD2 PHE 75 HD2 PHE 75 3.764 7.081 2.665 608 HE1 PHE 75 HE1 PHE 75 0.640 8.067 -0.994 609 HE2 PHE 75 HE2 PHE 75 4.323 6.414 0.369 610 HZ PHE 75 HZ PHE 75 2.757 6.901 -1.467 611 H ASP 76 H ASP 76 2.519 11.296 5.245 612 HA ASP 76 HA ASP 76 1.727 10.480 7.786 613 HB2 ASP 76 HB2 ASP 76 3.720 11.867 7.301 614 HB3 ASP 76 HB3 ASP 76 2.665 13.221 6.916 615 H GLY 77 H GLY 77 0.441 13.035 5.702 616 HA2 GLY 77 HA1 GLY 77 -1.673 13.583 7.656 617 HA3 GLY 77 HA2 GLY 77 -1.305 14.550 6.234 618 H LYS 78 H LYS 78 -1.811 11.063 6.473 619 HA LYS 78 HA LYS 78 -4.320 11.317 4.994 620 HB2 LYS 78 HB2 LYS 78 -1.957 9.647 4.114 621 HB3 LYS 78 HB3 LYS 78 -3.579 9.471 3.460 622 HG2 LYS 78 HG2 LYS 78 -3.491 11.795 2.669 623 HG3 LYS 78 HG3 LYS 78 -1.844 11.926 3.287 624 HD2 LYS 78 HD2 LYS 78 -1.833 11.488 0.895 625 HD3 LYS 78 HD3 LYS 78 -1.141 10.129 1.780 626 HE2 LYS 78 HE2 LYS 78 -2.637 9.398 -0.027 627 HE3 LYS 78 HE3 LYS 78 -3.206 8.889 1.558 628 HZ1 LYS 78 HZ1 LYS 78 -4.888 9.867 -0.079 629 HZ2 LYS 78 HZ2 LYS 78 -4.210 11.376 0.317 630 HZ3 LYS 78 HZ3 LYS 78 -4.926 10.422 1.524 631 H VAL 79 H VAL 79 -5.226 8.958 4.699 632 HA VAL 79 HA VAL 79 -5.184 7.753 7.367 633 HB VAL 79 HB VAL 79 -6.984 7.126 5.014 634 HG11 VAL 79 2HG1 VAL 79 -6.781 5.262 6.558 635 HG12 VAL 79 1HG1 VAL 79 -8.381 5.992 6.683 636 HG13 VAL 79 3HG1 VAL 79 -7.162 6.322 7.915 637 HG21 VAL 79 3HG2 VAL 79 -7.310 9.413 5.805 638 HG22 VAL 79 2HG2 VAL 79 -7.512 8.822 7.454 639 HG23 VAL 79 1HG2 VAL 79 -8.695 8.401 6.216 640 H VAL 80 H VAL 80 -3.941 6.006 7.752 641 HA VAL 80 HA VAL 80 -3.170 4.379 5.429 642 HB VAL 80 HB VAL 80 -0.920 4.263 6.047 643 HG11 VAL 80 2HG1 VAL 80 -1.812 7.094 6.564 644 HG12 VAL 80 1HG1 VAL 80 -1.423 6.374 5.002 645 HG13 VAL 80 3HG1 VAL 80 -0.156 6.600 6.207 646 HG21 VAL 80 3HG2 VAL 80 -0.005 5.163 8.150 647 HG22 VAL 80 2HG2 VAL 80 -1.160 3.855 8.406 648 HG23 VAL 80 1HG2 VAL 80 -1.647 5.528 8.684 649 H LEU 81 H LEU 81 -2.426 2.256 5.912 650 HA LEU 81 HA LEU 81 -3.139 1.177 8.548 651 HB2 LEU 81 HB2 LEU 81 -4.934 0.745 6.820 652 HB3 LEU 81 HB3 LEU 81 -3.760 -0.173 5.908 653 HG LEU 81 HG LEU 81 -5.411 -1.499 7.295 654 HD11 LEU 81 2HD1 LEU 81 -3.761 -3.145 8.016 655 HD12 LEU 81 1HD1 LEU 81 -2.480 -1.946 7.827 656 HD13 LEU 81 3HD1 LEU 81 -3.382 -2.506 6.418 657 HD21 LEU 81 3HD2 LEU 81 -5.412 -0.116 9.287 658 HD22 LEU 81 2HD2 LEU 81 -3.704 -0.464 9.553 659 HD23 LEU 81 1HD2 LEU 81 -4.895 -1.758 9.678 660 H GLU 82 H GLU 82 -1.244 0.524 9.358 661 HA GLU 82 HA GLU 82 0.844 -0.352 7.472 662 HB2 GLU 82 HB2 GLU 82 1.329 1.706 8.754 663 HB3 GLU 82 HB3 GLU 82 1.144 0.807 10.252 664 HG2 GLU 82 HG2 GLU 82 3.064 -0.562 9.707 665 HG3 GLU 82 HG3 GLU 82 3.225 0.248 8.148 666 H VAL 83 H VAL 83 1.496 -2.374 7.528 667 HA VAL 83 HA VAL 83 1.226 -3.967 9.981 668 HB VAL 83 HB VAL 83 0.415 -5.901 8.568 669 HG11 VAL 83 2HG1 VAL 83 -1.922 -5.228 8.620 670 HG12 VAL 83 1HG1 VAL 83 -1.443 -3.537 8.767 671 HG13 VAL 83 3HG1 VAL 83 -1.078 -4.673 10.067 672 HG21 VAL 83 3HG2 VAL 83 -0.194 -3.718 6.576 673 HG22 VAL 83 2HG2 VAL 83 -0.681 -5.408 6.446 674 HG23 VAL 83 1HG2 VAL 83 1.029 -4.974 6.380 675 HA PRO 84 HA PRO 84 5.123 -5.863 8.775 676 HB2 PRO 84 HB2 PRO 84 3.853 -8.541 8.897 677 HB3 PRO 84 HB3 PRO 84 5.256 -7.924 9.776 678 HG2 PRO 84 HG2 PRO 84 2.917 -8.288 11.007 679 HG3 PRO 84 HG3 PRO 84 3.952 -6.901 11.399 680 HD2 PRO 84 HD2 PRO 84 1.483 -7.012 9.708 681 HD3 PRO 84 HD3 PRO 84 1.997 -5.772 10.871 682 H VAL 85 H VAL 85 6.149 -6.706 6.952 683 HA VAL 85 HA VAL 85 4.768 -6.338 4.541 684 HB VAL 85 HB VAL 85 7.205 -6.015 4.823 685 HG11 VAL 85 2HG1 VAL 85 8.712 -7.939 4.640 686 HG12 VAL 85 1HG1 VAL 85 7.326 -9.024 4.752 687 HG13 VAL 85 3HG1 VAL 85 7.746 -7.985 6.114 688 HG21 VAL 85 3HG2 VAL 85 7.858 -6.911 2.611 689 HG22 VAL 85 2HG2 VAL 85 6.294 -6.094 2.596 690 HG23 VAL 85 1HG2 VAL 85 6.369 -7.856 2.587 691 H SER 86 H SER 86 5.267 -9.212 6.434 692 HA SER 86 HA SER 86 4.714 -11.076 4.343 693 HB2 SER 86 HB2 SER 86 6.024 -11.668 6.356 694 HB3 SER 86 HB3 SER 86 4.583 -11.451 7.348 695 HG SER 86 HG SER 86 4.472 -13.546 6.957 696 H ALA 87 H ALA 87 2.730 -9.120 6.384 697 HA ALA 87 HA ALA 87 0.516 -10.840 6.670 698 HB1 ALA 87 HB1 ALA 87 -0.719 -8.888 7.406 699 HB2 ALA 87 HB2 ALA 87 0.891 -8.917 8.126 700 HB3 ALA 87 HB3 ALA 87 0.547 -7.831 6.779 701 HA PRO 88 HA PRO 88 -1.599 -8.511 3.018 702 HB2 PRO 88 HB2 PRO 88 0.559 -7.229 1.501 703 HB3 PRO 88 HB3 PRO 88 -0.962 -6.548 2.080 704 HG2 PRO 88 HG2 PRO 88 1.392 -5.853 3.160 705 HG3 PRO 88 HG3 PRO 88 -0.081 -5.989 4.139 706 HD2 PRO 88 HD2 PRO 88 2.171 -7.946 3.825 707 HD3 PRO 88 HD3 PRO 88 1.338 -7.425 5.306 708 H ILE 89 H ILE 89 1.133 -10.432 2.929 709 HA ILE 89 HA ILE 89 1.076 -11.115 0.147 710 HB ILE 89 HB ILE 89 2.354 -12.462 2.526 711 HG12 ILE 89 2HG1 ILE 89 3.440 -10.831 0.219 712 HG13 ILE 89 3HG1 ILE 89 3.385 -10.357 1.911 713 HG21 ILE 89 2HG2 ILE 89 3.545 -13.886 0.912 714 HG22 ILE 89 1HG2 ILE 89 2.545 -13.229 -0.384 715 HG23 ILE 89 3HG2 ILE 89 1.805 -14.177 0.907 716 HD11 ILE 89 3HD1 ILE 89 5.043 -12.578 0.743 717 HD12 ILE 89 2HD1 ILE 89 4.981 -12.134 2.449 718 HD13 ILE 89 1HD1 ILE 89 5.625 -10.997 1.264 719 H LYS 90 H LYS 90 -0.196 -12.560 3.125 720 HA LYS 90 HA LYS 90 -1.546 -14.610 1.536 721 HB2 LYS 90 HB2 LYS 90 -2.039 -15.672 3.707 722 HB3 LYS 90 HB3 LYS 90 -0.318 -15.409 3.461 723 HG2 LYS 90 HG2 LYS 90 -0.421 -13.430 4.898 724 HG3 LYS 90 HG3 LYS 90 -2.144 -13.715 5.155 725 HD2 LYS 90 HD2 LYS 90 -1.582 -15.933 6.110 726 HD3 LYS 90 HD3 LYS 90 0.129 -15.531 5.952 727 HE2 LYS 90 HE2 LYS 90 -0.199 -13.599 7.426 728 HE3 LYS 90 HE3 LYS 90 -1.903 -14.022 7.591 729 HZ1 LYS 90 HZ1 LYS 90 -0.775 -14.854 9.479 730 HZ2 LYS 90 HZ2 LYS 90 0.440 -15.577 8.539 731 HZ3 LYS 90 HZ3 LYS 90 -1.136 -16.194 8.508 732 H ASP 91 H ASP 91 -2.207 -11.714 3.319 733 HA ASP 91 HA ASP 91 -5.101 -12.215 3.048 734 HB2 ASP 91 HB2 ASP 91 -3.611 -10.817 5.264 735 HB3 ASP 91 HB3 ASP 91 -5.349 -10.673 5.046 736 H ALA 92 H ALA 92 -3.659 -11.010 0.995 737 HA ALA 92 HA ALA 92 -3.292 -8.271 1.071 738 HB1 ALA 92 HB1 ALA 92 -3.463 -8.307 -1.345 739 HB2 ALA 92 HB2 ALA 92 -2.577 -9.721 -0.776 740 HB3 ALA 92 HB3 ALA 92 -4.258 -9.881 -1.288 741 H GLU 93 H GLU 93 -6.254 -10.021 0.120 742 HA GLU 93 HA GLU 93 -7.759 -7.714 -0.475 743 HB2 GLU 93 HB2 GLU 93 -8.678 -10.464 0.379 744 HB3 GLU 93 HB3 GLU 93 -9.747 -9.206 -0.221 745 HG2 GLU 93 HG2 GLU 93 -9.399 -10.537 -2.074 746 HG3 GLU 93 HG3 GLU 93 -8.255 -9.220 -2.311 747 H LYS 94 H LYS 94 -7.222 -9.482 2.517 748 HA LYS 94 HA LYS 94 -9.362 -8.218 3.927 749 HB2 LYS 94 HB2 LYS 94 -8.405 -10.466 4.501 750 HB3 LYS 94 HB3 LYS 94 -6.966 -9.645 5.091 751 HG2 LYS 94 HG2 LYS 94 -8.276 -8.500 6.782 752 HG3 LYS 94 HG3 LYS 94 -9.753 -9.239 6.163 753 HD2 LYS 94 HD2 LYS 94 -9.053 -10.467 8.098 754 HD3 LYS 94 HD3 LYS 94 -8.771 -11.471 6.673 755 HE2 LYS 94 HE2 LYS 94 -6.405 -10.788 6.688 756 HE3 LYS 94 HE3 LYS 94 -6.703 -9.846 8.149 757 HZ1 LYS 94 HZ1 LYS 94 -5.769 -11.954 8.735 758 HZ2 LYS 94 HZ2 LYS 94 -6.956 -12.791 7.858 759 HZ3 LYS 94 HZ3 LYS 94 -7.386 -11.923 9.250 760 H VAL 95 H VAL 95 -5.925 -7.648 3.546 761 HA VAL 95 HA VAL 95 -5.647 -5.619 5.489 762 HB VAL 95 HB VAL 95 -4.115 -6.040 2.912 763 HG11 VAL 95 2HG1 VAL 95 -3.376 -4.406 5.334 764 HG12 VAL 95 1HG1 VAL 95 -3.835 -3.769 3.755 765 HG13 VAL 95 3HG1 VAL 95 -2.352 -4.707 3.930 766 HG21 VAL 95 3HG2 VAL 95 -2.460 -7.152 4.305 767 HG22 VAL 95 2HG2 VAL 95 -4.028 -7.954 4.437 768 HG23 VAL 95 1HG2 VAL 95 -3.465 -6.892 5.731 769 H ILE 96 H ILE 96 -6.458 -5.560 2.051 770 HA ILE 96 HA ILE 96 -6.677 -2.764 1.774 771 HB ILE 96 HB ILE 96 -7.979 -5.008 0.218 772 HG12 ILE 96 2HG1 ILE 96 -5.608 -3.246 -0.436 773 HG13 ILE 96 3HG1 ILE 96 -5.490 -4.880 0.209 774 HG21 ILE 96 2HG2 ILE 96 -9.281 -2.961 -0.041 775 HG22 ILE 96 1HG2 ILE 96 -8.419 -3.356 -1.529 776 HG23 ILE 96 3HG2 ILE 96 -7.818 -2.076 -0.474 777 HD11 ILE 96 3HD1 ILE 96 -6.741 -4.125 -2.418 778 HD12 ILE 96 2HD1 ILE 96 -6.566 -5.759 -1.778 779 HD13 ILE 96 1HD1 ILE 96 -5.134 -4.817 -2.198 780 H ASN 97 H ASN 97 -9.134 -5.263 2.415 781 HA ASN 97 HA ASN 97 -11.344 -3.549 2.615 782 HB2 ASN 97 HB2 ASN 97 -10.759 -6.283 3.709 783 HB3 ASN 97 HB3 ASN 97 -12.237 -5.443 4.166 784 HD21 ASN 97 1HD2 ASN 97 -11.771 -7.895 2.565 785 HD22 ASN 97 2HD2 ASN 97 -12.576 -7.603 1.061 786 H ALA 98 H ALA 98 -8.983 -4.558 5.033 787 HA ALA 98 HA ALA 98 -10.272 -3.463 7.284 788 HB1 ALA 98 HB1 ALA 98 -7.314 -3.852 6.828 789 HB2 ALA 98 HB2 ALA 98 -8.101 -3.595 8.384 790 HB3 ALA 98 HB3 ALA 98 -8.429 -5.063 7.463 791 H ALA 99 H ALA 99 -7.846 -2.113 5.074 792 HA ALA 99 HA ALA 99 -7.521 0.365 6.365 793 HB1 ALA 99 HB1 ALA 99 -6.547 1.130 4.269 794 HB2 ALA 99 HB2 ALA 99 -5.968 -0.485 4.676 795 HB3 ALA 99 HB3 ALA 99 -7.205 -0.277 3.435 796 H LEU 100 H LEU 100 -9.757 -0.703 3.850 797 HA LEU 100 HA LEU 100 -10.886 1.831 3.314 798 HB2 LEU 100 HB2 LEU 100 -12.082 -0.917 2.961 799 HB3 LEU 100 HB3 LEU 100 -12.716 0.561 2.263 800 HG LEU 100 HG LEU 100 -10.034 -0.669 1.625 801 HD11 LEU 100 2HD1 LEU 100 -11.024 -1.128 -0.563 802 HD12 LEU 100 1HD1 LEU 100 -12.572 -0.504 0.007 803 HD13 LEU 100 3HD1 LEU 100 -11.890 -1.962 0.729 804 HD21 LEU 100 3HD2 LEU 100 -9.977 1.760 1.470 805 HD22 LEU 100 2HD2 LEU 100 -11.422 1.743 0.462 806 HD23 LEU 100 1HD2 LEU 100 -9.921 1.032 -0.136 807 H ALA 101 H ALA 101 -11.636 -0.675 5.654 808 HA ALA 101 HA ALA 101 -14.153 0.350 6.461 809 HB1 ALA 101 HB1 ALA 101 -12.250 -1.393 8.015 810 HB2 ALA 101 HB2 ALA 101 -13.969 -1.168 8.339 811 HB3 ALA 101 HB3 ALA 101 -13.448 -1.969 6.856 812 H LEU 102 H LEU 102 -10.925 1.292 7.168 813 HA LEU 102 HA LEU 102 -11.314 2.416 9.732 814 HB2 LEU 102 HB2 LEU 102 -9.322 3.208 7.606 815 HB3 LEU 102 HB3 LEU 102 -9.232 3.636 9.304 816 HG LEU 102 HG LEU 102 -9.011 0.850 8.163 817 HD11 LEU 102 2HD1 LEU 102 -6.952 2.621 9.471 818 HD12 LEU 102 1HD1 LEU 102 -7.047 2.251 7.750 819 HD13 LEU 102 3HD1 LEU 102 -6.699 0.968 8.909 820 HD21 LEU 102 3HD2 LEU 102 -8.478 0.168 10.451 821 HD22 LEU 102 2HD2 LEU 102 -10.108 0.835 10.342 822 HD23 LEU 102 1HD2 LEU 102 -8.801 1.807 11.017 823 H ILE 103 H ILE 103 -12.064 3.531 6.535 824 HA ILE 103 HA ILE 103 -12.868 6.131 7.664 825 HB ILE 103 HB ILE 103 -12.795 7.013 5.335 826 HG12 ILE 103 2HG1 ILE 103 -11.328 4.430 4.736 827 HG13 ILE 103 3HG1 ILE 103 -12.950 4.822 4.173 828 HG21 ILE 103 2HG2 ILE 103 -10.341 7.216 5.260 829 HG22 ILE 103 1HG2 ILE 103 -10.221 5.944 6.477 830 HG23 ILE 103 3HG2 ILE 103 -11.002 7.475 6.874 831 HD11 ILE 103 3HD1 ILE 103 -12.039 6.715 2.913 832 HD12 ILE 103 2HD1 ILE 103 -11.323 5.179 2.423 833 HD13 ILE 103 1HD1 ILE 103 -10.419 6.283 3.458 834 H ASP 104 H ASP 104 -13.888 3.384 5.738 835 HA ASP 104 HA ASP 104 -16.653 4.268 6.015 836 HB2 ASP 104 HB2 ASP 104 -16.026 5.192 3.859 837 HB3 ASP 104 HB3 ASP 104 -15.368 3.647 3.343 838 H GLU 105 H GLU 105 -15.166 1.810 3.962 839 HA GLU 105 HA GLU 105 -15.452 -0.464 5.484 840 HB2 GLU 105 HB2 GLU 105 -17.867 0.038 5.594 841 HB3 GLU 105 HB3 GLU 105 -17.938 0.095 3.839 842 HG2 GLU 105 HG2 GLU 105 -17.141 -2.301 3.858 843 HG3 GLU 105 HG3 GLU 105 -17.441 -2.287 5.594 844 H LYS 106 H LYS 106 -16.212 0.913 2.345 845 HA LYS 106 HA LYS 106 -14.255 -0.798 1.053 846 HB2 LYS 106 HB2 LYS 106 -16.513 -1.988 1.090 847 HB3 LYS 106 HB3 LYS 106 -17.105 -0.704 0.050 848 HG2 LYS 106 HG2 LYS 106 -15.421 -1.322 -1.635 849 HG3 LYS 106 HG3 LYS 106 -14.899 -2.650 -0.593 850 HD2 LYS 106 HD2 LYS 106 -17.621 -2.280 -1.845 851 HD3 LYS 106 HD3 LYS 106 -16.425 -3.516 -2.246 852 HE2 LYS 106 HE2 LYS 106 -16.666 -4.513 -0.058 853 HE3 LYS 106 HE3 LYS 106 -17.755 -3.222 0.448 854 HZ1 LYS 106 HZ1 LYS 106 -18.284 -5.235 -1.674 855 HZ2 LYS 106 HZ2 LYS 106 -19.323 -3.960 -1.262 856 HZ3 LYS 106 HZ3 LYS 106 -18.998 -5.187 -0.137 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -15.361 -2.581 -7.726 2 H2 MET 1 H2 MET 1 -16.319 -3.069 -6.417 3 H3 MET 1 H3 MET 1 -14.647 -2.864 -6.218 4 HA MET 1 HA MET 1 -16.525 -0.685 -6.923 5 HB2 MET 1 HB2 MET 1 -16.922 -1.562 -4.634 6 HB3 MET 1 HB3 MET 1 -15.227 -1.285 -4.252 7 HG2 MET 1 HG2 MET 1 -15.572 1.124 -4.723 8 HG3 MET 1 HG3 MET 1 -17.289 0.794 -4.940 9 HE1 MET 1 HE1 MET 1 -17.988 2.565 -3.137 10 HE2 MET 1 HE2 MET 1 -17.286 2.652 -1.521 11 HE3 MET 1 HE3 MET 1 -16.289 2.994 -2.934 12 H LYS 2 H LYS 2 -15.522 1.159 -7.562 13 HA LYS 2 HA LYS 2 -12.709 1.168 -7.988 14 HB2 LYS 2 HB2 LYS 2 -14.676 3.457 -8.105 15 HB3 LYS 2 HB3 LYS 2 -13.011 3.533 -8.656 16 HG2 LYS 2 HG2 LYS 2 -13.647 1.620 -10.233 17 HG3 LYS 2 HG3 LYS 2 -15.318 2.051 -9.847 18 HD2 LYS 2 HD2 LYS 2 -14.710 4.426 -10.458 19 HD3 LYS 2 HD3 LYS 2 -13.200 3.784 -11.101 20 HE2 LYS 2 HE2 LYS 2 -14.717 4.014 -12.918 21 HE3 LYS 2 HE3 LYS 2 -14.558 2.293 -12.574 22 HZ1 LYS 2 HZ1 LYS 2 -16.728 3.785 -11.281 23 HZ2 LYS 2 HZ2 LYS 2 -16.676 2.160 -11.772 24 HZ3 LYS 2 HZ3 LYS 2 -16.887 3.385 -12.920 25 H ARG 3 H ARG 3 -11.275 1.381 -6.410 26 HA ARG 3 HA ARG 3 -11.561 3.698 -4.649 27 HB2 ARG 3 HB2 ARG 3 -12.123 1.457 -3.494 28 HB3 ARG 3 HB3 ARG 3 -10.405 1.117 -3.633 29 HG2 ARG 3 HG2 ARG 3 -10.589 2.009 -1.512 30 HG3 ARG 3 HG3 ARG 3 -10.081 3.397 -2.481 31 HD2 ARG 3 HD2 ARG 3 -11.867 4.081 -1.030 32 HD3 ARG 3 HD3 ARG 3 -12.463 4.057 -2.686 33 HE ARG 3 HE ARG 3 -13.306 1.724 -2.013 34 HH11 ARG 3 2HH1 ARG 3 -13.254 4.553 0.054 35 HH12 ARG 3 1HH1 ARG 3 -14.504 3.952 1.115 36 HH21 ARG 3 2HH2 ARG 3 -14.966 0.961 -0.653 37 HH22 ARG 3 1HH2 ARG 3 -15.479 1.921 0.707 38 H LYS 4 H LYS 4 -9.773 4.913 -4.689 39 HA LYS 4 HA LYS 4 -7.369 3.943 -5.970 40 HB2 LYS 4 HB2 LYS 4 -7.877 6.565 -4.553 41 HB3 LYS 4 HB3 LYS 4 -6.504 6.194 -5.583 42 HG2 LYS 4 HG2 LYS 4 -9.381 6.446 -6.424 43 HG3 LYS 4 HG3 LYS 4 -8.061 7.555 -6.794 44 HD2 LYS 4 HD2 LYS 4 -6.941 5.719 -8.036 45 HD3 LYS 4 HD3 LYS 4 -8.359 4.710 -7.750 46 HE2 LYS 4 HE2 LYS 4 -8.209 7.266 -9.336 47 HE3 LYS 4 HE3 LYS 4 -8.548 5.646 -9.941 48 HZ1 LYS 4 HZ1 LYS 4 -10.292 7.468 -8.424 49 HZ2 LYS 4 HZ2 LYS 4 -10.541 5.797 -8.303 50 HZ3 LYS 4 HZ3 LYS 4 -10.635 6.559 -9.816 51 H ILE 5 H ILE 5 -5.777 2.925 -4.915 52 HA ILE 5 HA ILE 5 -5.516 3.379 -2.013 53 HB ILE 5 HB ILE 5 -5.196 0.695 -3.387 54 HG12 ILE 5 2HG1 ILE 5 -7.394 1.658 -1.535 55 HG13 ILE 5 3HG1 ILE 5 -7.566 1.407 -3.269 56 HG21 ILE 5 2HG2 ILE 5 -4.995 -0.185 -1.115 57 HG22 ILE 5 1HG2 ILE 5 -5.121 1.449 -0.465 58 HG23 ILE 5 3HG2 ILE 5 -3.733 0.998 -1.456 59 HD11 ILE 5 3HD1 ILE 5 -6.934 -0.730 -1.241 60 HD12 ILE 5 2HD1 ILE 5 -7.138 -0.970 -2.978 61 HD13 ILE 5 1HD1 ILE 5 -8.503 -0.441 -1.995 62 H ILE 6 H ILE 6 -3.583 4.339 -1.717 63 HA ILE 6 HA ILE 6 -1.364 3.512 -3.433 64 HB ILE 6 HB ILE 6 -0.053 5.344 -2.431 65 HG12 ILE 6 2HG1 ILE 6 -1.442 5.408 -0.272 66 HG13 ILE 6 3HG1 ILE 6 -0.908 6.945 -0.941 67 HG21 ILE 6 2HG2 ILE 6 -2.681 6.162 -3.643 68 HG22 ILE 6 1HG2 ILE 6 -1.211 5.711 -4.505 69 HG23 ILE 6 3HG2 ILE 6 -1.249 7.182 -3.537 70 HD11 ILE 6 3HD1 ILE 6 -3.194 7.072 -0.142 71 HD12 ILE 6 2HD1 ILE 6 -3.660 5.752 -1.214 72 HD13 ILE 6 1HD1 ILE 6 -3.135 7.293 -1.890 73 H ALA 7 H ALA 7 0.006 2.044 -2.781 74 HA ALA 7 HA ALA 7 0.193 1.488 0.106 75 HB1 ALA 7 HB1 ALA 7 -1.274 -0.160 -0.981 76 HB2 ALA 7 HB2 ALA 7 0.039 -0.587 -2.079 77 HB3 ALA 7 HB3 ALA 7 0.200 -0.894 -0.350 78 H VAL 8 H VAL 8 2.202 1.325 0.866 79 HA VAL 8 HA VAL 8 4.380 1.202 -1.108 80 HB VAL 8 HB VAL 8 4.458 2.345 1.691 81 HG11 VAL 8 2HG1 VAL 8 6.685 3.167 1.053 82 HG12 VAL 8 1HG1 VAL 8 6.556 2.297 -0.476 83 HG13 VAL 8 3HG1 VAL 8 6.604 1.405 1.045 84 HG21 VAL 8 3HG2 VAL 8 4.714 4.515 0.548 85 HG22 VAL 8 2HG2 VAL 8 3.161 3.751 0.200 86 HG23 VAL 8 1HG2 VAL 8 4.454 3.710 -1.000 87 H THR 9 H THR 9 5.602 -0.518 -1.133 88 HA THR 9 HA THR 9 5.670 -2.275 1.235 89 HB THR 9 HB THR 9 6.338 -4.070 -0.450 90 HG1 THR 9 HG1 THR 9 6.234 -1.968 -2.088 91 HG21 THR 9 3HG2 THR 9 4.024 -4.514 -1.144 92 HG22 THR 9 1HG2 THR 9 3.575 -2.869 -0.693 93 HG23 THR 9 2HG2 THR 9 4.106 -4.008 0.545 94 H ALA 10 H ALA 10 7.593 -2.354 2.237 95 HA ALA 10 HA ALA 10 10.032 -2.107 0.648 96 HB1 ALA 10 HB1 ALA 10 9.525 -0.363 3.053 97 HB2 ALA 10 HB2 ALA 10 10.985 -0.398 2.063 98 HB3 ALA 10 HB3 ALA 10 9.467 0.178 1.375 99 H CYS 11 H CYS 11 10.644 -4.189 1.116 100 HA CYS 11 HA CYS 11 11.103 -4.797 3.958 101 HB2 CYS 11 HB2 CYS 11 9.699 -6.428 2.738 102 HB3 CYS 11 HB3 CYS 11 11.009 -6.694 1.596 103 HG CYS 11 HG CYS 11 10.617 -7.877 4.728 104 H ALA 12 H ALA 12 13.130 -4.775 4.682 105 HA ALA 12 HA ALA 12 15.312 -4.437 2.788 106 HB1 ALA 12 HB1 ALA 12 15.209 -2.965 4.741 107 HB2 ALA 12 HB2 ALA 12 15.314 -4.367 5.807 108 HB3 ALA 12 HB3 ALA 12 16.673 -3.948 4.763 109 H THR 13 H THR 13 14.035 -6.766 5.044 110 HA THR 13 HA THR 13 16.226 -8.508 5.237 111 HB THR 13 HB THR 13 13.294 -9.248 5.302 112 HG1 THR 13 HG1 THR 13 13.622 -7.635 6.818 113 HG21 THR 13 3HG2 THR 13 14.825 -11.164 5.177 114 HG22 THR 13 1HG2 THR 13 14.028 -11.076 6.749 115 HG23 THR 13 2HG2 THR 13 15.704 -10.552 6.579 116 H GLY 14 H GLY 14 13.323 -8.823 3.174 117 HA2 GLY 14 HA1 GLY 14 14.990 -10.247 1.219 118 HA3 GLY 14 HA2 GLY 14 13.496 -10.977 1.786 119 H VAL 15 H VAL 15 14.852 -9.216 -0.630 120 HA VAL 15 HA VAL 15 12.838 -7.356 -1.273 121 HB VAL 15 HB VAL 15 13.805 -7.362 -3.542 122 HG11 VAL 15 2HG1 VAL 15 14.794 -5.953 -1.856 123 HG12 VAL 15 1HG1 VAL 15 16.061 -6.605 -2.895 124 HG13 VAL 15 3HG1 VAL 15 15.799 -7.286 -1.290 125 HG21 VAL 15 3HG2 VAL 15 14.329 -9.736 -3.735 126 HG22 VAL 15 2HG2 VAL 15 15.571 -9.568 -2.496 127 HG23 VAL 15 1HG2 VAL 15 15.756 -8.747 -4.045 128 H ALA 16 H ALA 16 12.997 -10.770 -1.578 129 HA ALA 16 HA ALA 16 11.067 -11.151 -3.605 130 HB1 ALA 16 HB1 ALA 16 12.556 -12.931 -2.820 131 HB2 ALA 16 HB2 ALA 16 11.723 -12.938 -1.266 132 HB3 ALA 16 HB3 ALA 16 10.861 -13.412 -2.730 133 H HIS 17 H HIS 17 10.840 -10.440 -0.183 134 HA HIS 17 HA HIS 17 8.045 -11.026 0.038 135 HB2 HIS 17 HB2 HIS 17 9.938 -9.454 1.786 136 HB3 HIS 17 HB3 HIS 17 8.221 -9.582 2.146 137 HD1 HIS 17 HD1 HIS 17 7.921 -11.232 3.972 138 HD2 HIS 17 HD2 HIS 17 10.871 -12.400 1.285 139 HE1 HIS 17 HE1 HIS 17 8.717 -13.474 4.772 140 HE2 HIS 17 HE2 HIS 17 10.603 -14.094 3.214 141 H THR 18 H THR 18 9.957 -8.116 -0.511 142 HA THR 18 HA THR 18 7.909 -6.224 -0.517 143 HB THR 18 HB THR 18 10.332 -6.189 -2.329 144 HG1 THR 18 HG1 THR 18 11.512 -5.493 -0.629 145 HG21 THR 18 3HG2 THR 18 8.706 -4.430 -2.787 146 HG22 THR 18 1HG2 THR 18 10.166 -3.754 -2.064 147 HG23 THR 18 2HG2 THR 18 8.714 -3.962 -1.087 148 H TYR 19 H TYR 19 9.233 -8.179 -3.159 149 HA TYR 19 HA TYR 19 7.569 -7.014 -5.154 150 HB2 TYR 19 HB2 TYR 19 9.847 -8.130 -5.461 151 HB3 TYR 19 HB3 TYR 19 8.992 -9.665 -5.353 152 HD1 TYR 19 HD2 TYR 19 8.993 -6.462 -7.259 153 HD2 TYR 19 HD1 TYR 19 8.111 -10.621 -7.274 154 HE1 TYR 19 HE2 TYR 19 8.484 -6.338 -9.662 155 HE2 TYR 19 HE1 TYR 19 7.598 -10.510 -9.675 156 HH TYR 19 HH TYR 19 8.422 -7.870 -11.615 157 H MET 20 H MET 20 7.459 -10.030 -3.288 158 HA MET 20 HA MET 20 5.243 -11.163 -4.615 159 HB2 MET 20 HB2 MET 20 6.735 -12.463 -3.151 160 HB3 MET 20 HB3 MET 20 6.143 -11.570 -1.756 161 HG2 MET 20 HG2 MET 20 5.065 -13.695 -1.816 162 HG3 MET 20 HG3 MET 20 3.877 -12.455 -2.209 163 HE1 MET 20 HE1 MET 20 2.129 -14.032 -3.281 164 HE2 MET 20 HE2 MET 20 2.526 -15.313 -4.427 165 HE3 MET 20 HE3 MET 20 3.127 -15.395 -2.772 166 H ALA 21 H ALA 21 5.467 -9.082 -1.751 167 HA ALA 21 HA ALA 21 2.743 -9.142 -1.072 168 HB1 ALA 21 HB1 ALA 21 4.472 -8.310 0.444 169 HB2 ALA 21 HB2 ALA 21 4.734 -6.924 -0.614 170 HB3 ALA 21 HB3 ALA 21 3.191 -7.119 0.216 171 H ALA 22 H ALA 22 4.592 -6.889 -3.092 172 HA ALA 22 HA ALA 22 2.494 -5.099 -3.617 173 HB1 ALA 22 HB1 ALA 22 4.861 -4.579 -3.976 174 HB2 ALA 22 HB2 ALA 22 4.898 -5.705 -5.332 175 HB3 ALA 22 HB3 ALA 22 3.893 -4.258 -5.415 176 H GLN 23 H GLN 23 3.438 -8.097 -5.253 177 HA GLN 23 HA GLN 23 1.588 -7.622 -7.414 178 HB2 GLN 23 HB2 GLN 23 2.188 -9.867 -8.201 179 HB3 GLN 23 HB3 GLN 23 3.604 -8.876 -7.897 180 HG2 GLN 23 HG2 GLN 23 3.960 -10.034 -5.780 181 HG3 GLN 23 HG3 GLN 23 2.534 -11.025 -6.083 182 HE21 GLN 23 1HE2 GLN 23 4.723 -10.079 -8.620 183 HE22 GLN 23 2HE2 GLN 23 5.394 -11.646 -8.891 184 H ALA 24 H ALA 24 1.644 -9.660 -4.502 185 HA ALA 24 HA ALA 24 -0.812 -10.970 -5.039 186 HB1 ALA 24 HB1 ALA 24 0.485 -10.449 -2.362 187 HB2 ALA 24 HB2 ALA 24 -0.772 -11.639 -2.700 188 HB3 ALA 24 HB3 ALA 24 0.830 -11.819 -3.417 189 H LEU 25 H LEU 25 0.041 -8.066 -3.245 190 HA LEU 25 HA LEU 25 -2.550 -7.409 -2.344 191 HB2 LEU 25 HB2 LEU 25 -0.500 -6.462 -1.409 192 HB3 LEU 25 HB3 LEU 25 -0.160 -5.663 -2.928 193 HG LEU 25 HG LEU 25 -2.192 -4.277 -2.619 194 HD11 LEU 25 2HD1 LEU 25 -3.266 -4.227 -0.424 195 HD12 LEU 25 1HD1 LEU 25 -2.269 -5.584 0.102 196 HD13 LEU 25 3HD1 LEU 25 -3.455 -5.807 -1.186 197 HD21 LEU 25 3HD2 LEU 25 0.078 -3.554 -1.935 198 HD22 LEU 25 2HD2 LEU 25 -0.251 -4.165 -0.313 199 HD23 LEU 25 1HD2 LEU 25 -1.205 -2.830 -0.959 200 H LYS 26 H LYS 26 -0.765 -6.669 -5.294 201 HA LYS 26 HA LYS 26 -2.615 -4.848 -6.399 202 HB2 LYS 26 HB2 LYS 26 -0.278 -5.206 -7.224 203 HB3 LYS 26 HB3 LYS 26 -0.795 -6.745 -7.901 204 HG2 LYS 26 HG2 LYS 26 -2.390 -5.559 -9.337 205 HG3 LYS 26 HG3 LYS 26 -1.828 -4.026 -8.677 206 HD2 LYS 26 HD2 LYS 26 -0.101 -6.010 -10.155 207 HD3 LYS 26 HD3 LYS 26 -0.830 -4.578 -10.876 208 HE2 LYS 26 HE2 LYS 26 1.330 -3.875 -10.393 209 HE3 LYS 26 HE3 LYS 26 0.404 -3.283 -9.017 210 HZ1 LYS 26 HZ1 LYS 26 1.197 -5.093 -7.687 211 HZ2 LYS 26 HZ2 LYS 26 2.536 -4.350 -8.410 212 HZ3 LYS 26 HZ3 LYS 26 1.951 -5.820 -9.021 213 H LYS 27 H LYS 27 -2.239 -8.359 -6.752 214 HA LYS 27 HA LYS 27 -4.471 -8.781 -8.414 215 HB2 LYS 27 HB2 LYS 27 -2.927 -10.502 -6.519 216 HB3 LYS 27 HB3 LYS 27 -4.373 -11.121 -7.296 217 HG2 LYS 27 HG2 LYS 27 -3.381 -10.677 -9.488 218 HG3 LYS 27 HG3 LYS 27 -1.929 -10.059 -8.697 219 HD2 LYS 27 HD2 LYS 27 -1.693 -12.397 -9.467 220 HD3 LYS 27 HD3 LYS 27 -1.487 -12.217 -7.724 221 HE2 LYS 27 HE2 LYS 27 -3.798 -12.960 -7.378 222 HE3 LYS 27 HE3 LYS 27 -3.999 -13.139 -9.121 223 HZ1 LYS 27 HZ1 LYS 27 -1.883 -14.584 -7.645 224 HZ2 LYS 27 HZ2 LYS 27 -2.531 -14.928 -9.180 225 HZ3 LYS 27 HZ3 LYS 27 -3.453 -15.206 -7.783 226 H GLY 28 H GLY 28 -4.127 -8.736 -4.906 227 HA2 GLY 28 HA1 GLY 28 -6.756 -9.382 -4.200 228 HA3 GLY 28 HA2 GLY 28 -5.677 -8.367 -3.252 229 H ALA 29 H ALA 29 -5.325 -6.220 -4.947 230 HA ALA 29 HA ALA 29 -7.677 -4.714 -4.569 231 HB1 ALA 29 HB1 ALA 29 -6.569 -2.972 -5.871 232 HB2 ALA 29 HB2 ALA 29 -5.459 -3.687 -4.703 233 HB3 ALA 29 HB3 ALA 29 -5.353 -4.131 -6.406 234 H LYS 30 H LYS 30 -6.314 -6.308 -7.416 235 HA LYS 30 HA LYS 30 -8.234 -5.554 -9.305 236 HB2 LYS 30 HB2 LYS 30 -6.243 -7.706 -9.033 237 HB3 LYS 30 HB3 LYS 30 -7.602 -8.095 -10.076 238 HG2 LYS 30 HG2 LYS 30 -5.738 -7.197 -11.343 239 HG3 LYS 30 HG3 LYS 30 -7.141 -6.136 -11.437 240 HD2 LYS 30 HD2 LYS 30 -6.158 -4.650 -9.788 241 HD3 LYS 30 HD3 LYS 30 -4.779 -5.739 -9.605 242 HE2 LYS 30 HE2 LYS 30 -4.232 -3.849 -11.056 243 HE3 LYS 30 HE3 LYS 30 -4.166 -5.377 -11.934 244 HZ1 LYS 30 HZ1 LYS 30 -5.281 -3.841 -13.313 245 HZ2 LYS 30 HZ2 LYS 30 -6.284 -3.309 -12.052 246 HZ3 LYS 30 HZ3 LYS 30 -6.487 -4.863 -12.696 247 H LYS 31 H LYS 31 -8.247 -8.118 -6.907 248 HA LYS 31 HA LYS 31 -10.452 -9.594 -7.773 249 HB2 LYS 31 HB2 LYS 31 -8.920 -10.374 -6.036 250 HB3 LYS 31 HB3 LYS 31 -9.433 -9.077 -4.970 251 HG2 LYS 31 HG2 LYS 31 -10.495 -11.045 -4.227 252 HG3 LYS 31 HG3 LYS 31 -11.731 -10.072 -5.025 253 HD2 LYS 31 HD2 LYS 31 -11.531 -11.435 -7.032 254 HD3 LYS 31 HD3 LYS 31 -10.250 -12.385 -6.273 255 HE2 LYS 31 HE2 LYS 31 -11.868 -13.014 -4.488 256 HE3 LYS 31 HE3 LYS 31 -13.128 -12.190 -5.407 257 HZ1 LYS 31 HZ1 LYS 31 -13.110 -14.574 -5.817 258 HZ2 LYS 31 HZ2 LYS 31 -11.513 -14.483 -6.381 259 HZ3 LYS 31 HZ3 LYS 31 -12.758 -13.711 -7.235 260 H MET 32 H MET 32 -10.252 -6.748 -5.697 261 HA MET 32 HA MET 32 -13.156 -6.732 -5.390 262 HB2 MET 32 HB2 MET 32 -11.046 -4.997 -4.099 263 HB3 MET 32 HB3 MET 32 -12.762 -4.990 -3.704 264 HG2 MET 32 HG2 MET 32 -10.924 -7.349 -3.385 265 HG3 MET 32 HG3 MET 32 -11.389 -6.246 -2.094 266 HE1 MET 32 HE1 MET 32 -15.223 -6.937 -1.763 267 HE2 MET 32 HE2 MET 32 -13.839 -6.049 -1.122 268 HE3 MET 32 HE3 MET 32 -14.450 -5.689 -2.737 269 H GLY 33 H GLY 33 -11.064 -5.663 -7.626 270 HA2 GLY 33 HA1 GLY 33 -11.481 -4.366 -9.483 271 HA3 GLY 33 HA2 GLY 33 -13.043 -3.960 -8.795 272 H ASN 34 H ASN 34 -9.935 -3.388 -7.233 273 HA ASN 34 HA ASN 34 -10.632 -0.542 -7.154 274 HB2 ASN 34 HB2 ASN 34 -8.468 -2.000 -5.622 275 HB3 ASN 34 HB3 ASN 34 -8.970 -0.333 -5.377 276 HD21 ASN 34 1HD2 ASN 34 -9.648 -3.636 -4.782 277 HD22 ASN 34 2HD2 ASN 34 -10.960 -3.390 -3.687 278 H LEU 35 H LEU 35 -8.709 0.965 -7.183 279 HA LEU 35 HA LEU 35 -6.814 0.144 -9.283 280 HB2 LEU 35 HB2 LEU 35 -7.863 2.922 -8.706 281 HB3 LEU 35 HB3 LEU 35 -6.663 2.523 -9.917 282 HG LEU 35 HG LEU 35 -8.556 0.972 -10.865 283 HD11 LEU 35 2HD1 LEU 35 -10.789 1.925 -10.550 284 HD12 LEU 35 1HD1 LEU 35 -10.142 3.021 -9.329 285 HD13 LEU 35 3HD1 LEU 35 -10.127 1.281 -9.048 286 HD21 LEU 35 3HD2 LEU 35 -7.560 2.831 -12.056 287 HD22 LEU 35 2HD2 LEU 35 -8.568 3.970 -11.163 288 HD23 LEU 35 1HD2 LEU 35 -9.309 2.823 -12.282 289 H ILE 36 H ILE 36 -4.929 -0.277 -8.334 290 HA ILE 36 HA ILE 36 -4.321 1.117 -5.833 291 HB ILE 36 HB ILE 36 -4.540 -1.318 -5.668 292 HG12 ILE 36 2HG1 ILE 36 -1.698 -0.369 -5.272 293 HG13 ILE 36 3HG1 ILE 36 -3.029 -0.055 -4.169 294 HG21 ILE 36 2HG2 ILE 36 -2.182 -1.412 -7.545 295 HG22 ILE 36 1HG2 ILE 36 -3.825 -1.945 -7.904 296 HG23 ILE 36 3HG2 ILE 36 -2.869 -2.793 -6.688 297 HD11 ILE 36 3HD1 ILE 36 -1.911 -2.759 -4.864 298 HD12 ILE 36 2HD1 ILE 36 -3.267 -2.451 -3.779 299 HD13 ILE 36 1HD1 ILE 36 -1.656 -1.870 -3.361 300 H LYS 37 H LYS 37 -2.485 2.156 -5.506 301 HA LYS 37 HA LYS 37 -0.547 2.323 -7.723 302 HB2 LYS 37 HB2 LYS 37 -1.872 4.422 -7.152 303 HB3 LYS 37 HB3 LYS 37 -1.093 4.391 -5.580 304 HG2 LYS 37 HG2 LYS 37 0.150 5.921 -6.771 305 HG3 LYS 37 HG3 LYS 37 1.106 4.444 -6.874 306 HD2 LYS 37 HD2 LYS 37 1.049 5.524 -9.030 307 HD3 LYS 37 HD3 LYS 37 0.138 4.014 -9.105 308 HE2 LYS 37 HE2 LYS 37 -1.898 5.097 -9.249 309 HE3 LYS 37 HE3 LYS 37 -1.290 6.565 -8.486 310 HZ1 LYS 37 HZ1 LYS 37 -0.428 5.660 -11.178 311 HZ2 LYS 37 HZ2 LYS 37 -0.153 7.169 -10.451 312 HZ3 LYS 37 HZ3 LYS 37 -1.722 6.732 -10.931 313 H VAL 38 H VAL 38 0.944 0.832 -7.075 314 HA VAL 38 HA VAL 38 1.640 0.746 -4.231 315 HB VAL 38 HB VAL 38 0.891 -1.378 -5.143 316 HG11 VAL 38 2HG1 VAL 38 2.186 -2.565 -6.850 317 HG12 VAL 38 1HG1 VAL 38 3.206 -1.140 -7.052 318 HG13 VAL 38 3HG1 VAL 38 1.494 -1.065 -7.469 319 HG21 VAL 38 3HG2 VAL 38 2.751 -2.787 -4.459 320 HG22 VAL 38 2HG2 VAL 38 2.579 -1.409 -3.371 321 HG23 VAL 38 1HG2 VAL 38 3.854 -1.417 -4.590 322 H GLU 39 H GLU 39 3.576 1.202 -3.479 323 HA GLU 39 HA GLU 39 5.710 1.894 -5.390 324 HB2 GLU 39 HB2 GLU 39 4.876 3.704 -3.873 325 HB3 GLU 39 HB3 GLU 39 5.393 2.741 -2.497 326 HG2 GLU 39 HG2 GLU 39 7.688 2.902 -3.177 327 HG3 GLU 39 HG3 GLU 39 7.225 3.719 -4.667 328 H THR 40 H THR 40 7.437 0.613 -5.444 329 HA THR 40 HA THR 40 7.763 -1.373 -3.312 330 HB THR 40 HB THR 40 9.286 -2.399 -5.235 331 HG1 THR 40 HG1 THR 40 8.403 -1.905 -7.282 332 HG21 THR 40 3HG2 THR 40 7.382 -3.735 -5.952 333 HG22 THR 40 1HG2 THR 40 6.270 -2.546 -5.272 334 HG23 THR 40 2HG2 THR 40 7.327 -3.475 -4.208 335 H GLN 41 H GLN 41 9.181 -0.572 -1.860 336 HA GLN 41 HA GLN 41 11.721 0.571 -2.858 337 HB2 GLN 41 HB2 GLN 41 10.886 0.485 0.031 338 HB3 GLN 41 HB3 GLN 41 12.001 1.588 -0.759 339 HG2 GLN 41 HG2 GLN 41 10.105 2.647 -1.907 340 HG3 GLN 41 HG3 GLN 41 9.006 1.570 -1.044 341 HE21 GLN 41 1HE2 GLN 41 9.066 4.429 -0.959 342 HE22 GLN 41 2HE2 GLN 41 9.392 4.869 0.681 343 H GLY 42 H GLY 42 13.171 -0.006 -0.512 344 HA2 GLY 42 HA1 GLY 42 13.105 -2.359 0.745 345 HA3 GLY 42 HA2 GLY 42 13.647 -2.857 -0.851 346 H ALA 43 H ALA 43 15.673 -2.190 -1.605 347 HA ALA 43 HA ALA 43 17.516 -1.575 0.602 348 HB1 ALA 43 HB1 ALA 43 19.261 -2.555 -0.785 349 HB2 ALA 43 HB2 ALA 43 17.911 -3.676 -0.598 350 HB3 ALA 43 HB3 ALA 43 18.109 -2.775 -2.101 351 H THR 44 H THR 44 17.065 0.674 0.548 352 HA THR 44 HA THR 44 17.796 2.786 0.171 353 HB THR 44 HB THR 44 19.557 1.555 -1.953 354 HG1 THR 44 HG1 THR 44 20.369 2.488 0.605 355 HG21 THR 44 3HG2 THR 44 19.222 3.959 -2.330 356 HG22 THR 44 1HG2 THR 44 20.868 3.618 -1.798 357 HG23 THR 44 2HG2 THR 44 19.695 4.286 -0.663 358 H GLY 45 H GLY 45 16.842 0.949 -2.708 359 HA2 GLY 45 HA1 GLY 45 16.165 3.497 -4.017 360 HA3 GLY 45 HA2 GLY 45 16.539 2.005 -4.863 361 H ILE 46 H ILE 46 14.275 3.626 -5.282 362 HA ILE 46 HA ILE 46 12.131 1.803 -4.399 363 HB ILE 46 HB ILE 46 11.861 4.710 -5.218 364 HG12 ILE 46 2HG1 ILE 46 11.647 3.493 -2.453 365 HG13 ILE 46 3HG1 ILE 46 13.035 4.404 -3.039 366 HG21 ILE 46 2HG2 ILE 46 9.897 3.358 -5.716 367 HG22 ILE 46 1HG2 ILE 46 9.569 4.491 -4.404 368 HG23 ILE 46 3HG2 ILE 46 9.856 2.788 -4.047 369 HD11 ILE 46 3HD1 ILE 46 11.688 6.393 -3.248 370 HD12 ILE 46 2HD1 ILE 46 11.543 5.737 -1.618 371 HD13 ILE 46 1HD1 ILE 46 10.242 5.495 -2.785 372 H GLU 47 H GLU 47 11.000 0.809 -6.004 373 HA GLU 47 HA GLU 47 12.002 1.079 -8.700 374 HB2 GLU 47 HB2 GLU 47 11.560 -1.140 -7.781 375 HB3 GLU 47 HB3 GLU 47 9.869 -0.724 -7.544 376 HG2 GLU 47 HG2 GLU 47 9.691 -0.406 -10.018 377 HG3 GLU 47 HG3 GLU 47 11.320 -1.067 -10.153 378 H ASN 48 H ASN 48 8.979 1.751 -6.999 379 HA ASN 48 HA ASN 48 8.059 3.200 -9.387 380 HB2 ASN 48 HB2 ASN 48 6.848 0.978 -9.001 381 HB3 ASN 48 HB3 ASN 48 6.184 1.710 -7.550 382 HD21 ASN 48 1HD2 ASN 48 4.657 3.326 -7.723 383 HD22 ASN 48 2HD2 ASN 48 3.842 3.679 -9.207 384 H GLU 49 H GLU 49 8.830 5.107 -8.428 385 HA GLU 49 HA GLU 49 8.172 5.884 -5.773 386 HB2 GLU 49 HB2 GLU 49 8.993 7.691 -8.050 387 HB3 GLU 49 HB3 GLU 49 9.159 8.007 -6.329 388 HG2 GLU 49 HG2 GLU 49 10.796 6.232 -6.133 389 HG3 GLU 49 HG3 GLU 49 10.600 5.843 -7.842 390 H LEU 50 H LEU 50 6.264 6.529 -5.056 391 HA LEU 50 HA LEU 50 4.191 7.382 -6.892 392 HB2 LEU 50 HB2 LEU 50 4.106 7.396 -3.876 393 HB3 LEU 50 HB3 LEU 50 2.741 7.431 -4.974 394 HG LEU 50 HG LEU 50 4.596 5.107 -4.465 395 HD11 LEU 50 2HD1 LEU 50 2.954 5.450 -2.723 396 HD12 LEU 50 1HD1 LEU 50 2.540 4.022 -3.671 397 HD13 LEU 50 3HD1 LEU 50 1.663 5.531 -3.921 398 HD21 LEU 50 3HD2 LEU 50 3.268 3.842 -6.032 399 HD22 LEU 50 2HD2 LEU 50 3.961 5.245 -6.844 400 HD23 LEU 50 1HD2 LEU 50 2.261 5.251 -6.367 401 H THR 51 H THR 51 3.994 9.419 -7.564 402 HA THR 51 HA THR 51 5.477 11.543 -6.351 403 HB THR 51 HB THR 51 4.387 13.012 -7.975 404 HG1 THR 51 HG1 THR 51 2.904 10.718 -8.831 405 HG21 THR 51 3HG2 THR 51 5.196 10.386 -9.224 406 HG22 THR 51 1HG2 THR 51 6.302 11.656 -8.701 407 HG23 THR 51 2HG2 THR 51 5.176 11.959 -10.025 408 H GLU 52 H GLU 52 4.360 13.622 -5.706 409 HA GLU 52 HA GLU 52 2.592 13.174 -3.568 410 HB2 GLU 52 HB2 GLU 52 4.127 15.181 -4.021 411 HB3 GLU 52 HB3 GLU 52 2.839 15.787 -5.050 412 HG2 GLU 52 HG2 GLU 52 1.329 15.889 -3.183 413 HG3 GLU 52 HG3 GLU 52 2.526 15.133 -2.130 414 H LYS 53 H LYS 53 2.095 13.706 -6.949 415 HA LYS 53 HA LYS 53 -0.662 14.349 -6.900 416 HB2 LYS 53 HB2 LYS 53 0.808 14.696 -8.871 417 HB3 LYS 53 HB3 LYS 53 0.925 12.952 -9.062 418 HG2 LYS 53 HG2 LYS 53 -1.623 12.980 -9.258 419 HG3 LYS 53 HG3 LYS 53 -1.456 14.722 -9.485 420 HD2 LYS 53 HD2 LYS 53 -1.524 13.672 -11.644 421 HD3 LYS 53 HD3 LYS 53 0.114 14.261 -11.363 422 HE2 LYS 53 HE2 LYS 53 0.800 12.003 -10.688 423 HE3 LYS 53 HE3 LYS 53 -0.835 11.421 -10.992 424 HZ1 LYS 53 HZ1 LYS 53 -0.550 12.136 -13.327 425 HZ2 LYS 53 HZ2 LYS 53 0.523 10.908 -12.865 426 HZ3 LYS 53 HZ3 LYS 53 1.073 12.507 -12.992 427 H ASP 54 H ASP 54 1.043 11.274 -7.543 428 HA ASP 54 HA ASP 54 -1.200 9.640 -7.833 429 HB2 ASP 54 HB2 ASP 54 1.488 8.855 -6.684 430 HB3 ASP 54 HB3 ASP 54 0.270 7.739 -7.283 431 H VAL 55 H VAL 55 0.577 10.566 -4.968 432 HA VAL 55 HA VAL 55 -0.765 8.829 -3.184 433 HB VAL 55 HB VAL 55 0.742 11.384 -2.619 434 HG11 VAL 55 2HG1 VAL 55 -0.576 10.859 -0.706 435 HG12 VAL 55 1HG1 VAL 55 1.077 10.328 -0.371 436 HG13 VAL 55 3HG1 VAL 55 -0.159 9.151 -0.819 437 HG21 VAL 55 3HG2 VAL 55 2.625 9.901 -2.151 438 HG22 VAL 55 2HG2 VAL 55 2.064 9.710 -3.812 439 HG23 VAL 55 1HG2 VAL 55 1.639 8.507 -2.595 440 H ASN 56 H ASN 56 -1.381 12.135 -4.252 441 HA ASN 56 HA ASN 56 -3.500 12.580 -2.380 442 HB2 ASN 56 HB2 ASN 56 -2.406 14.042 -4.725 443 HB3 ASN 56 HB3 ASN 56 -4.071 14.390 -4.268 444 HD21 ASN 56 1HD2 ASN 56 -0.735 14.648 -3.362 445 HD22 ASN 56 2HD2 ASN 56 -0.978 15.705 -2.006 446 H ILE 57 H ILE 57 -3.240 11.137 -5.523 447 HA ILE 57 HA ILE 57 -6.007 11.115 -6.167 448 HB ILE 57 HB ILE 57 -3.818 9.217 -7.049 449 HG12 ILE 57 2HG1 ILE 57 -4.997 11.636 -8.433 450 HG13 ILE 57 3HG1 ILE 57 -3.425 11.588 -7.640 451 HG21 ILE 57 2HG2 ILE 57 -6.567 9.673 -8.201 452 HG22 ILE 57 1HG2 ILE 57 -6.020 8.228 -7.353 453 HG23 ILE 57 3HG2 ILE 57 -5.312 8.657 -8.910 454 HD11 ILE 57 3HD1 ILE 57 -2.671 9.908 -9.238 455 HD12 ILE 57 2HD1 ILE 57 -3.203 11.383 -10.044 456 HD13 ILE 57 1HD1 ILE 57 -4.244 9.960 -10.033 457 H GLY 58 H GLY 58 -3.855 8.725 -4.653 458 HA2 GLY 58 HA1 GLY 58 -5.794 6.746 -4.197 459 HA3 GLY 58 HA2 GLY 58 -4.281 6.911 -3.323 460 H GLU 59 H GLU 59 -7.172 6.305 -2.606 461 HA GLU 59 HA GLU 59 -7.934 8.443 -0.821 462 HB2 GLU 59 HB2 GLU 59 -9.023 5.633 -1.123 463 HB3 GLU 59 HB3 GLU 59 -9.754 6.907 -0.161 464 HG2 GLU 59 HG2 GLU 59 -9.344 7.056 -3.136 465 HG3 GLU 59 HG3 GLU 59 -10.831 6.514 -2.361 466 H VAL 60 H VAL 60 -7.388 4.973 -0.231 467 HA VAL 60 HA VAL 60 -6.450 5.643 2.459 468 HB VAL 60 HB VAL 60 -6.661 3.179 2.897 469 HG11 VAL 60 2HG1 VAL 60 -9.091 3.215 3.078 470 HG12 VAL 60 1HG1 VAL 60 -9.162 4.577 1.960 471 HG13 VAL 60 3HG1 VAL 60 -8.403 4.772 3.540 472 HG21 VAL 60 3HG2 VAL 60 -8.016 3.173 0.199 473 HG22 VAL 60 2HG2 VAL 60 -7.968 1.825 1.337 474 HG23 VAL 60 1HG2 VAL 60 -6.480 2.397 0.583 475 H VAL 61 H VAL 61 -4.539 4.826 3.296 476 HA VAL 61 HA VAL 61 -2.547 4.063 1.260 477 HB VAL 61 HB VAL 61 -2.024 5.293 3.967 478 HG11 VAL 61 2HG1 VAL 61 -0.243 4.861 1.574 479 HG12 VAL 61 1HG1 VAL 61 -0.156 4.013 3.117 480 HG13 VAL 61 3HG1 VAL 61 0.214 5.736 3.035 481 HG21 VAL 61 3HG2 VAL 61 -3.256 6.869 2.575 482 HG22 VAL 61 2HG2 VAL 61 -2.089 6.645 1.275 483 HG23 VAL 61 1HG2 VAL 61 -1.584 7.392 2.791 484 H ILE 62 H ILE 62 -1.427 2.188 1.539 485 HA ILE 62 HA ILE 62 -1.744 0.793 4.120 486 HB ILE 62 HB ILE 62 -1.653 -0.479 1.371 487 HG12 ILE 62 2HG1 ILE 62 -3.863 -0.392 3.438 488 HG13 ILE 62 3HG1 ILE 62 -3.827 0.539 1.944 489 HG21 ILE 62 2HG2 ILE 62 -1.837 -1.769 4.091 490 HG22 ILE 62 1HG2 ILE 62 -0.446 -1.815 3.010 491 HG23 ILE 62 3HG2 ILE 62 -1.951 -2.606 2.543 492 HD11 ILE 62 3HD1 ILE 62 -3.977 -2.459 2.182 493 HD12 ILE 62 2HD1 ILE 62 -3.872 -1.561 0.667 494 HD13 ILE 62 1HD1 ILE 62 -5.282 -1.367 1.711 495 H PHE 63 H PHE 63 0.108 0.304 5.095 496 HA PHE 63 HA PHE 63 2.573 0.456 3.493 497 HB2 PHE 63 HB2 PHE 63 2.038 1.171 6.365 498 HB3 PHE 63 HB3 PHE 63 3.666 0.836 5.792 499 HD1 PHE 63 HD2 PHE 63 4.241 2.138 3.524 500 HD2 PHE 63 HD1 PHE 63 1.407 3.366 6.447 501 HE1 PHE 63 HE2 PHE 63 4.466 4.461 2.758 502 HE2 PHE 63 HE1 PHE 63 1.625 5.696 5.683 503 HZ PHE 63 HZ PHE 63 3.160 6.240 3.836 504 H ALA 64 H ALA 64 3.105 -1.559 2.967 505 HA ALA 64 HA ALA 64 3.233 -3.542 5.140 506 HB1 ALA 64 HB1 ALA 64 3.392 -5.244 3.396 507 HB2 ALA 64 HB2 ALA 64 1.946 -4.261 3.166 508 HB3 ALA 64 HB3 ALA 64 3.365 -3.993 2.153 509 H VAL 65 H VAL 65 5.150 -2.911 6.101 510 HA VAL 65 HA VAL 65 7.501 -2.873 4.337 511 HB VAL 65 HB VAL 65 8.401 -0.931 5.650 512 HG11 VAL 65 2HG1 VAL 65 5.894 -0.468 4.032 513 HG12 VAL 65 1HG1 VAL 65 7.534 -0.626 3.399 514 HG13 VAL 65 3HG1 VAL 65 7.106 0.757 4.409 515 HG21 VAL 65 3HG2 VAL 65 6.792 0.498 6.825 516 HG22 VAL 65 2HG2 VAL 65 6.933 -1.086 7.588 517 HG23 VAL 65 1HG2 VAL 65 5.537 -0.716 6.576 518 H ASP 66 H ASP 66 9.395 -3.468 5.149 519 HA ASP 66 HA ASP 66 9.426 -4.724 7.811 520 HB2 ASP 66 HB2 ASP 66 9.834 -6.316 6.054 521 HB3 ASP 66 HB3 ASP 66 10.995 -5.250 5.278 522 H THR 67 H THR 67 10.464 -2.117 6.009 523 HA THR 67 HA THR 67 12.369 -1.334 8.075 524 HB THR 67 HB THR 67 13.729 -2.226 6.213 525 HG1 THR 67 HG1 THR 67 15.034 -0.700 6.861 526 HG21 THR 67 3HG2 THR 67 12.187 -1.797 4.366 527 HG22 THR 67 1HG2 THR 67 13.764 -1.076 4.050 528 HG23 THR 67 2HG2 THR 67 12.418 -0.060 4.563 529 H LYS 68 H LYS 68 13.065 1.132 7.065 530 HA LYS 68 HA LYS 68 10.670 2.593 7.643 531 HB2 LYS 68 HB2 LYS 68 12.076 4.586 7.478 532 HB3 LYS 68 HB3 LYS 68 12.850 3.356 8.467 533 HG2 LYS 68 HG2 LYS 68 14.429 2.855 6.827 534 HG3 LYS 68 HG3 LYS 68 13.489 3.640 5.555 535 HD2 LYS 68 HD2 LYS 68 13.895 5.818 6.646 536 HD3 LYS 68 HD3 LYS 68 14.890 5.000 7.852 537 HE2 LYS 68 HE2 LYS 68 16.491 4.355 6.204 538 HE3 LYS 68 HE3 LYS 68 15.441 4.892 4.892 539 HZ1 LYS 68 HZ1 LYS 68 15.700 7.156 5.617 540 HZ2 LYS 68 HZ2 LYS 68 17.230 6.470 5.371 541 HZ3 LYS 68 HZ3 LYS 68 16.635 6.675 6.947 542 H VAL 69 H VAL 69 9.521 3.963 6.339 543 HA VAL 69 HA VAL 69 10.067 3.800 3.458 544 HB VAL 69 HB VAL 69 7.921 2.919 3.740 545 HG11 VAL 69 2HG1 VAL 69 7.598 3.452 6.079 546 HG12 VAL 69 1HG1 VAL 69 6.174 3.915 5.147 547 HG13 VAL 69 3HG1 VAL 69 7.319 5.148 5.678 548 HG21 VAL 69 3HG2 VAL 69 7.505 5.856 3.204 549 HG22 VAL 69 2HG2 VAL 69 6.360 4.572 2.824 550 HG23 VAL 69 1HG2 VAL 69 7.924 4.625 2.012 551 H ARG 70 H ARG 70 10.887 5.528 2.560 552 HA ARG 70 HA ARG 70 11.299 7.932 4.037 553 HB2 ARG 70 HB2 ARG 70 12.869 6.831 2.354 554 HB3 ARG 70 HB3 ARG 70 11.831 7.492 1.100 555 HG2 ARG 70 HG2 ARG 70 12.302 9.757 1.924 556 HG3 ARG 70 HG3 ARG 70 13.377 9.073 3.147 557 HD2 ARG 70 HD2 ARG 70 13.699 9.060 0.158 558 HD3 ARG 70 HD3 ARG 70 14.771 9.760 1.371 559 HE ARG 70 HE ARG 70 14.422 6.901 1.577 560 HH11 ARG 70 2HH1 ARG 70 16.349 9.506 0.251 561 HH12 ARG 70 1HH1 ARG 70 17.708 8.481 -0.119 562 HH21 ARG 70 2HH2 ARG 70 16.219 5.556 1.110 563 HH22 ARG 70 1HH2 ARG 70 17.639 6.245 0.394 564 H ASN 71 H ASN 71 9.410 7.052 1.191 565 HA ASN 71 HA ASN 71 8.495 9.644 0.582 566 HB2 ASN 71 HB2 ASN 71 7.648 6.895 -0.263 567 HB3 ASN 71 HB3 ASN 71 6.708 8.311 -0.746 568 HD21 ASN 71 1HD2 ASN 71 7.320 7.651 -2.926 569 HD22 ASN 71 2HD2 ASN 71 8.853 8.159 -3.548 570 H LYS 72 H LYS 72 7.689 7.740 3.176 571 HA LYS 72 HA LYS 72 4.963 7.966 3.538 572 HB2 LYS 72 HB2 LYS 72 6.318 6.729 5.117 573 HB3 LYS 72 HB3 LYS 72 7.152 8.197 5.613 574 HG2 LYS 72 HG2 LYS 72 5.106 9.078 6.558 575 HG3 LYS 72 HG3 LYS 72 4.215 7.666 5.996 576 HD2 LYS 72 HD2 LYS 72 6.574 7.298 7.792 577 HD3 LYS 72 HD3 LYS 72 5.035 7.826 8.476 578 HE2 LYS 72 HE2 LYS 72 3.988 5.845 7.289 579 HE3 LYS 72 HE3 LYS 72 5.630 5.285 6.977 580 HZ1 LYS 72 HZ1 LYS 72 4.572 4.321 8.995 581 HZ2 LYS 72 HZ2 LYS 72 4.577 5.871 9.689 582 HZ3 LYS 72 HZ3 LYS 72 6.042 5.112 9.298 583 H GLU 73 H GLU 73 7.349 10.436 3.546 584 HA GLU 73 HA GLU 73 6.410 12.572 4.919 585 HB2 GLU 73 HB2 GLU 73 7.128 12.777 1.996 586 HB3 GLU 73 HB3 GLU 73 7.302 14.020 3.221 587 HG2 GLU 73 HG2 GLU 73 9.107 12.871 4.244 588 HG3 GLU 73 HG3 GLU 73 8.831 11.434 3.261 589 H ARG 74 H ARG 74 5.135 11.475 1.791 590 HA ARG 74 HA ARG 74 3.157 13.592 1.749 591 HB2 ARG 74 HB2 ARG 74 2.559 12.668 -0.455 592 HB3 ARG 74 HB3 ARG 74 4.281 13.000 -0.320 593 HG2 ARG 74 HG2 ARG 74 4.178 10.406 0.467 594 HG3 ARG 74 HG3 ARG 74 2.866 10.465 -0.717 595 HD2 ARG 74 HD2 ARG 74 4.936 9.874 -1.826 596 HD3 ARG 74 HD3 ARG 74 4.440 11.488 -2.331 597 HE ARG 74 HE ARG 74 6.206 11.686 -0.142 598 HH11 ARG 74 2HH1 ARG 74 6.224 10.811 -3.530 599 HH12 ARG 74 1HH1 ARG 74 7.855 11.357 -3.797 600 HH21 ARG 74 2HH2 ARG 74 8.376 12.373 -0.472 601 HH22 ARG 74 1HH2 ARG 74 9.061 12.248 -2.061 602 H PHE 75 H PHE 75 3.331 10.271 2.661 603 HA PHE 75 HA PHE 75 0.458 9.894 2.689 604 HB2 PHE 75 HB2 PHE 75 2.634 8.129 3.815 605 HB3 PHE 75 HB3 PHE 75 0.964 7.682 3.508 606 HD1 PHE 75 HD2 PHE 75 0.179 7.316 1.214 607 HD2 PHE 75 HD1 PHE 75 4.253 8.178 2.056 608 HE1 PHE 75 HE2 PHE 75 0.814 6.511 -1.023 609 HE2 PHE 75 HE1 PHE 75 4.893 7.374 -0.174 610 HZ PHE 75 HZ PHE 75 3.173 6.539 -1.719 611 H ASP 76 H ASP 76 2.000 11.914 4.370 612 HA ASP 76 HA ASP 76 1.827 10.894 7.070 613 HB2 ASP 76 HB2 ASP 76 3.697 12.330 6.485 614 HB3 ASP 76 HB3 ASP 76 2.597 13.616 6.004 615 H GLY 77 H GLY 77 0.322 13.552 5.233 616 HA2 GLY 77 HA1 GLY 77 -1.814 13.745 7.209 617 HA3 GLY 77 HA2 GLY 77 -1.626 14.742 5.768 618 H LYS 78 H LYS 78 -1.758 11.244 6.238 619 HA LYS 78 HA LYS 78 -4.060 11.088 4.417 620 HB2 LYS 78 HB2 LYS 78 -1.587 9.343 4.286 621 HB3 LYS 78 HB3 LYS 78 -3.006 9.203 3.260 622 HG2 LYS 78 HG2 LYS 78 -1.363 11.707 3.344 623 HG3 LYS 78 HG3 LYS 78 -0.950 10.351 2.293 624 HD2 LYS 78 HD2 LYS 78 -3.671 11.625 2.304 625 HD3 LYS 78 HD3 LYS 78 -2.356 12.189 1.270 626 HE2 LYS 78 HE2 LYS 78 -2.475 10.396 -0.090 627 HE3 LYS 78 HE3 LYS 78 -2.856 9.289 1.220 628 HZ1 LYS 78 HZ1 LYS 78 -5.134 10.077 1.189 629 HZ2 LYS 78 HZ2 LYS 78 -4.697 9.539 -0.359 630 HZ3 LYS 78 HZ3 LYS 78 -4.772 11.198 -0.031 631 H VAL 79 H VAL 79 -5.068 8.878 4.513 632 HA VAL 79 HA VAL 79 -4.989 7.907 7.277 633 HB VAL 79 HB VAL 79 -7.215 8.435 6.536 634 HG11 VAL 79 2HG1 VAL 79 -8.284 7.279 4.653 635 HG12 VAL 79 1HG1 VAL 79 -6.740 6.518 4.262 636 HG13 VAL 79 3HG1 VAL 79 -6.916 8.268 4.143 637 HG21 VAL 79 3HG2 VAL 79 -7.015 6.529 8.014 638 HG22 VAL 79 2HG2 VAL 79 -6.796 5.451 6.635 639 HG23 VAL 79 1HG2 VAL 79 -8.337 6.274 6.874 640 H VAL 80 H VAL 80 -3.601 6.299 7.658 641 HA VAL 80 HA VAL 80 -3.034 4.456 5.431 642 HB VAL 80 HB VAL 80 -0.775 4.367 5.962 643 HG11 VAL 80 2HG1 VAL 80 -1.316 6.492 4.941 644 HG12 VAL 80 1HG1 VAL 80 0.016 6.689 6.078 645 HG13 VAL 80 3HG1 VAL 80 -1.609 7.208 6.526 646 HG21 VAL 80 3HG2 VAL 80 0.212 5.296 8.025 647 HG22 VAL 80 2HG2 VAL 80 -0.905 3.965 8.321 648 HG23 VAL 80 1HG2 VAL 80 -1.414 5.629 8.621 649 H LEU 81 H LEU 81 -2.597 2.305 5.887 650 HA LEU 81 HA LEU 81 -3.080 1.377 8.642 651 HB2 LEU 81 HB2 LEU 81 -4.992 1.002 6.940 652 HB3 LEU 81 HB3 LEU 81 -3.925 -0.152 6.177 653 HG LEU 81 HG LEU 81 -5.625 -1.178 7.662 654 HD11 LEU 81 2HD1 LEU 81 -3.571 -2.382 7.186 655 HD12 LEU 81 1HD1 LEU 81 -4.118 -2.697 8.832 656 HD13 LEU 81 3HD1 LEU 81 -2.777 -1.589 8.547 657 HD21 LEU 81 3HD2 LEU 81 -5.722 0.581 9.345 658 HD22 LEU 81 2HD2 LEU 81 -4.086 0.181 9.864 659 HD23 LEU 81 1HD2 LEU 81 -5.389 -0.990 10.076 660 H GLU 82 H GLU 82 -1.264 0.430 9.367 661 HA GLU 82 HA GLU 82 0.705 -0.425 7.355 662 HB2 GLU 82 HB2 GLU 82 1.177 0.324 10.239 663 HB3 GLU 82 HB3 GLU 82 2.410 -0.043 9.046 664 HG2 GLU 82 HG2 GLU 82 1.740 1.911 7.746 665 HG3 GLU 82 HG3 GLU 82 0.505 2.283 8.944 666 H VAL 83 H VAL 83 1.483 -2.400 7.283 667 HA VAL 83 HA VAL 83 1.066 -4.278 9.489 668 HB VAL 83 HB VAL 83 0.342 -6.046 7.861 669 HG11 VAL 83 2HG1 VAL 83 -1.326 -5.015 9.269 670 HG12 VAL 83 1HG1 VAL 83 -2.000 -5.301 7.664 671 HG13 VAL 83 3HG1 VAL 83 -1.500 -3.675 8.132 672 HG21 VAL 83 3HG2 VAL 83 -0.547 -5.394 5.694 673 HG22 VAL 83 2HG2 VAL 83 1.156 -4.954 5.819 674 HG23 VAL 83 1HG2 VAL 83 -0.090 -3.718 5.992 675 HA PRO 84 HA PRO 84 5.091 -5.830 8.203 676 HB2 PRO 84 HB2 PRO 84 4.657 -8.549 8.209 677 HB3 PRO 84 HB3 PRO 84 5.010 -7.598 9.656 678 HG2 PRO 84 HG2 PRO 84 2.370 -8.526 8.596 679 HG3 PRO 84 HG3 PRO 84 2.962 -8.514 10.269 680 HD2 PRO 84 HD2 PRO 84 1.268 -6.643 9.385 681 HD3 PRO 84 HD3 PRO 84 2.575 -6.236 10.518 682 H VAL 85 H VAL 85 6.123 -6.632 6.324 683 HA VAL 85 HA VAL 85 4.631 -6.225 3.954 684 HB VAL 85 HB VAL 85 7.076 -5.768 4.209 685 HG11 VAL 85 2HG1 VAL 85 7.743 -7.806 5.346 686 HG12 VAL 85 1HG1 VAL 85 8.672 -7.594 3.862 687 HG13 VAL 85 3HG1 VAL 85 7.345 -8.756 3.913 688 HG21 VAL 85 3HG2 VAL 85 7.684 -6.466 1.923 689 HG22 VAL 85 2HG2 VAL 85 6.073 -5.754 2.015 690 HG23 VAL 85 1HG2 VAL 85 6.258 -7.504 1.883 691 H SER 86 H SER 86 5.438 -9.051 5.771 692 HA SER 86 HA SER 86 4.933 -10.954 3.712 693 HB2 SER 86 HB2 SER 86 4.958 -11.372 6.707 694 HB3 SER 86 HB3 SER 86 5.170 -12.605 5.464 695 HG SER 86 HG SER 86 7.065 -11.281 6.611 696 H ALA 87 H ALA 87 2.855 -9.122 5.718 697 HA ALA 87 HA ALA 87 0.831 -11.054 6.165 698 HB1 ALA 87 HB1 ALA 87 -0.526 -9.251 6.977 699 HB2 ALA 87 HB2 ALA 87 1.129 -9.027 7.544 700 HB3 ALA 87 HB3 ALA 87 0.518 -8.060 6.200 701 HA PRO 88 HA PRO 88 -1.731 -8.944 2.687 702 HB2 PRO 88 HB2 PRO 88 0.152 -7.463 0.993 703 HB3 PRO 88 HB3 PRO 88 -1.361 -6.923 1.724 704 HG2 PRO 88 HG2 PRO 88 1.031 -6.036 2.579 705 HG3 PRO 88 HG3 PRO 88 -0.337 -6.270 3.683 706 HD2 PRO 88 HD2 PRO 88 2.033 -8.043 3.198 707 HD3 PRO 88 HD3 PRO 88 1.263 -7.590 4.735 708 H ILE 89 H ILE 89 1.132 -10.608 2.358 709 HA ILE 89 HA ILE 89 0.884 -11.429 -0.364 710 HB ILE 89 HB ILE 89 2.272 -12.750 1.981 711 HG12 ILE 89 2HG1 ILE 89 3.410 -11.168 -0.328 712 HG13 ILE 89 3HG1 ILE 89 3.133 -10.515 1.281 713 HG21 ILE 89 2HG2 ILE 89 2.433 -13.401 -0.962 714 HG22 ILE 89 1HG2 ILE 89 1.753 -14.424 0.306 715 HG23 ILE 89 3HG2 ILE 89 3.482 -14.071 0.287 716 HD11 ILE 89 3HD1 ILE 89 5.006 -12.766 0.580 717 HD12 ILE 89 2HD1 ILE 89 4.728 -12.122 2.199 718 HD13 ILE 89 1HD1 ILE 89 5.462 -11.105 0.960 719 H LYS 90 H LYS 90 -0.345 -12.513 2.737 720 HA LYS 90 HA LYS 90 -1.709 -14.759 1.455 721 HB2 LYS 90 HB2 LYS 90 -0.456 -15.255 3.493 722 HB3 LYS 90 HB3 LYS 90 -1.406 -14.070 4.380 723 HG2 LYS 90 HG2 LYS 90 -2.152 -16.353 4.821 724 HG3 LYS 90 HG3 LYS 90 -3.414 -15.393 4.047 725 HD2 LYS 90 HD2 LYS 90 -2.733 -16.386 1.863 726 HD3 LYS 90 HD3 LYS 90 -1.624 -17.441 2.741 727 HE2 LYS 90 HE2 LYS 90 -3.471 -18.438 3.943 728 HE3 LYS 90 HE3 LYS 90 -4.602 -17.316 3.188 729 HZ1 LYS 90 HZ1 LYS 90 -3.941 -18.287 1.014 730 HZ2 LYS 90 HZ2 LYS 90 -4.729 -19.383 2.044 731 HZ3 LYS 90 HZ3 LYS 90 -3.048 -19.464 1.849 732 H ASP 91 H ASP 91 -2.576 -12.215 3.843 733 HA ASP 91 HA ASP 91 -5.372 -12.687 3.073 734 HB2 ASP 91 HB2 ASP 91 -6.009 -11.951 5.294 735 HB3 ASP 91 HB3 ASP 91 -4.820 -13.239 5.404 736 H ALA 92 H ALA 92 -3.922 -11.037 1.449 737 HA ALA 92 HA ALA 92 -3.895 -8.317 1.952 738 HB1 ALA 92 HB1 ALA 92 -2.906 -9.339 -0.033 739 HB2 ALA 92 HB2 ALA 92 -4.517 -9.680 -0.664 740 HB3 ALA 92 HB3 ALA 92 -3.983 -8.011 -0.467 741 H GLU 93 H GLU 93 -6.596 -10.363 1.002 742 HA GLU 93 HA GLU 93 -8.445 -8.381 0.288 743 HB2 GLU 93 HB2 GLU 93 -8.984 -11.047 1.614 744 HB3 GLU 93 HB3 GLU 93 -10.158 -10.075 0.739 745 HG2 GLU 93 HG2 GLU 93 -9.058 -10.440 -1.325 746 HG3 GLU 93 HG3 GLU 93 -7.656 -11.147 -0.526 747 H LYS 94 H LYS 94 -7.649 -9.795 3.429 748 HA LYS 94 HA LYS 94 -9.626 -8.416 4.919 749 HB2 LYS 94 HB2 LYS 94 -6.972 -9.616 5.707 750 HB3 LYS 94 HB3 LYS 94 -8.095 -8.923 6.866 751 HG2 LYS 94 HG2 LYS 94 -9.719 -10.599 6.427 752 HG3 LYS 94 HG3 LYS 94 -8.826 -11.181 5.019 753 HD2 LYS 94 HD2 LYS 94 -8.550 -12.618 7.030 754 HD3 LYS 94 HD3 LYS 94 -7.030 -11.972 6.408 755 HE2 LYS 94 HE2 LYS 94 -7.740 -10.041 8.177 756 HE3 LYS 94 HE3 LYS 94 -8.396 -11.476 8.964 757 HZ1 LYS 94 HZ1 LYS 94 -5.589 -11.151 8.038 758 HZ2 LYS 94 HZ2 LYS 94 -6.218 -12.507 8.841 759 HZ3 LYS 94 HZ3 LYS 94 -6.111 -11.014 9.645 760 H VAL 95 H VAL 95 -6.219 -7.780 4.231 761 HA VAL 95 HA VAL 95 -5.895 -5.458 5.746 762 HB VAL 95 HB VAL 95 -4.534 -6.108 3.121 763 HG11 VAL 95 2HG1 VAL 95 -2.700 -4.743 3.987 764 HG12 VAL 95 1HG1 VAL 95 -3.651 -4.375 5.428 765 HG13 VAL 95 3HG1 VAL 95 -4.188 -3.806 3.847 766 HG21 VAL 95 3HG2 VAL 95 -4.350 -7.969 4.685 767 HG22 VAL 95 2HG2 VAL 95 -3.757 -6.875 5.936 768 HG23 VAL 95 1HG2 VAL 95 -2.795 -7.162 4.486 769 H ILE 96 H ILE 96 -7.033 -5.890 2.427 770 HA ILE 96 HA ILE 96 -7.222 -3.160 1.745 771 HB ILE 96 HB ILE 96 -8.726 -5.560 0.683 772 HG12 ILE 96 2HG1 ILE 96 -6.424 -3.958 -0.456 773 HG13 ILE 96 3HG1 ILE 96 -6.267 -5.520 0.340 774 HG21 ILE 96 2HG2 ILE 96 -8.638 -2.742 -0.400 775 HG22 ILE 96 1HG2 ILE 96 -10.048 -3.561 0.270 776 HG23 ILE 96 3HG2 ILE 96 -9.327 -4.134 -1.234 777 HD11 ILE 96 3HD1 ILE 96 -7.587 -6.561 -1.402 778 HD12 ILE 96 2HD1 ILE 96 -6.203 -5.712 -2.086 779 HD13 ILE 96 1HD1 ILE 96 -7.813 -4.997 -2.186 780 H ASN 97 H ASN 97 -9.688 -5.432 2.946 781 HA ASN 97 HA ASN 97 -11.769 -3.536 3.105 782 HB2 ASN 97 HB2 ASN 97 -11.309 -6.195 4.430 783 HB3 ASN 97 HB3 ASN 97 -12.708 -5.209 4.847 784 HD21 ASN 97 1HD2 ASN 97 -11.227 -7.228 2.478 785 HD22 ASN 97 2HD2 ASN 97 -12.589 -7.330 1.409 786 H ALA 98 H ALA 98 -9.280 -4.515 5.398 787 HA ALA 98 HA ALA 98 -10.255 -3.158 7.656 788 HB1 ALA 98 HB1 ALA 98 -7.969 -3.308 8.517 789 HB2 ALA 98 HB2 ALA 98 -8.486 -4.832 7.798 790 HB3 ALA 98 HB3 ALA 98 -7.393 -3.766 6.915 791 H ALA 99 H ALA 99 -8.231 -2.095 4.965 792 HA ALA 99 HA ALA 99 -7.701 0.503 6.022 793 HB1 ALA 99 HB1 ALA 99 -6.891 1.026 3.770 794 HB2 ALA 99 HB2 ALA 99 -6.251 -0.513 4.345 795 HB3 ALA 99 HB3 ALA 99 -7.570 -0.489 3.175 796 H LEU 100 H LEU 100 -10.086 -0.824 3.767 797 HA LEU 100 HA LEU 100 -11.305 1.614 3.044 798 HB2 LEU 100 HB2 LEU 100 -12.593 -1.113 3.216 799 HB3 LEU 100 HB3 LEU 100 -13.212 0.265 2.329 800 HG LEU 100 HG LEU 100 -10.678 -1.247 1.706 801 HD11 LEU 100 2HD1 LEU 100 -12.744 -2.449 1.156 802 HD12 LEU 100 1HD1 LEU 100 -11.855 -1.964 -0.287 803 HD13 LEU 100 3HD1 LEU 100 -13.288 -1.064 0.209 804 HD21 LEU 100 3HD2 LEU 100 -11.952 1.094 0.297 805 HD22 LEU 100 2HD2 LEU 100 -10.570 0.167 -0.291 806 HD23 LEU 100 1HD2 LEU 100 -10.431 1.114 1.190 807 H ALA 101 H ALA 101 -11.848 -0.617 5.697 808 HA ALA 101 HA ALA 101 -14.283 0.407 6.633 809 HB1 ALA 101 HB1 ALA 101 -13.793 -0.780 8.699 810 HB2 ALA 101 HB2 ALA 101 -13.386 -1.769 7.296 811 HB3 ALA 101 HB3 ALA 101 -12.109 -0.963 8.207 812 H LEU 102 H LEU 102 -11.149 1.763 6.785 813 HA LEU 102 HA LEU 102 -11.489 3.188 9.240 814 HB2 LEU 102 HB2 LEU 102 -9.564 3.660 6.966 815 HB3 LEU 102 HB3 LEU 102 -9.484 4.439 8.535 816 HG LEU 102 HG LEU 102 -9.100 1.509 7.949 817 HD11 LEU 102 2HD1 LEU 102 -7.234 3.595 9.066 818 HD12 LEU 102 1HD1 LEU 102 -7.189 2.941 7.429 819 HD13 LEU 102 3HD1 LEU 102 -6.857 1.890 8.807 820 HD21 LEU 102 3HD2 LEU 102 -9.139 2.926 10.608 821 HD22 LEU 102 2HD2 LEU 102 -8.726 1.234 10.339 822 HD23 LEU 102 1HD2 LEU 102 -10.365 1.805 10.015 823 H ILE 103 H ILE 103 -11.944 3.987 5.825 824 HA ILE 103 HA ILE 103 -12.827 6.676 6.584 825 HB ILE 103 HB ILE 103 -12.853 7.128 4.138 826 HG12 ILE 103 2HG1 ILE 103 -11.556 4.400 3.928 827 HG13 ILE 103 3HG1 ILE 103 -13.198 4.775 3.415 828 HG21 ILE 103 2HG2 ILE 103 -10.408 7.182 3.892 829 HG22 ILE 103 1HG2 ILE 103 -10.259 6.103 5.280 830 HG23 ILE 103 3HG2 ILE 103 -10.930 7.722 5.488 831 HD11 ILE 103 3HD1 ILE 103 -10.673 5.944 2.280 832 HD12 ILE 103 2HD1 ILE 103 -12.311 6.357 1.776 833 HD13 ILE 103 1HD1 ILE 103 -11.697 4.723 1.526 834 H ASP 104 H ASP 104 -14.051 3.630 5.638 835 HA ASP 104 HA ASP 104 -16.616 4.747 4.801 836 HB2 ASP 104 HB2 ASP 104 -15.385 2.014 4.640 837 HB3 ASP 104 HB3 ASP 104 -17.123 2.220 4.462 838 H GLU 105 H GLU 105 -15.167 2.809 7.371 839 HA GLU 105 HA GLU 105 -16.013 1.817 9.235 840 HB2 GLU 105 HB2 GLU 105 -17.496 4.413 9.069 841 HB3 GLU 105 HB3 GLU 105 -17.899 3.265 10.338 842 HG2 GLU 105 HG2 GLU 105 -15.106 4.254 9.858 843 HG3 GLU 105 HG3 GLU 105 -16.243 5.056 10.940 844 H LYS 106 H LYS 106 -16.959 0.657 6.969 845 HA LYS 106 HA LYS 106 -19.766 0.052 7.618 846 HB2 LYS 106 HB2 LYS 106 -19.482 1.207 5.436 847 HB3 LYS 106 HB3 LYS 106 -18.427 -0.095 4.906 848 HG2 LYS 106 HG2 LYS 106 -20.304 -1.675 5.178 849 HG3 LYS 106 HG3 LYS 106 -21.351 -0.315 5.589 850 HD2 LYS 106 HD2 LYS 106 -20.880 0.687 3.399 851 HD3 LYS 106 HD3 LYS 106 -19.857 -0.692 2.995 852 HE2 LYS 106 HE2 LYS 106 -22.815 -0.768 3.577 853 HE3 LYS 106 HE3 LYS 106 -22.061 -0.927 1.994 854 HZ1 LYS 106 HZ1 LYS 106 -21.768 -2.811 4.275 855 HZ2 LYS 106 HZ2 LYS 106 -20.957 -2.950 2.796 856 HZ3 LYS 106 HZ3 LYS 106 -22.645 -3.087 2.850 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -17.765 1.611 -8.064 2 H2 MET 1 H2 MET 1 -17.161 3.059 -8.706 3 H3 MET 1 H3 MET 1 -18.425 3.096 -7.570 4 HA MET 1 HA MET 1 -16.356 3.729 -6.559 5 HB2 MET 1 HB2 MET 1 -17.985 2.639 -5.143 6 HB3 MET 1 HB3 MET 1 -17.461 1.051 -5.689 7 HG2 MET 1 HG2 MET 1 -16.615 1.536 -3.466 8 HG3 MET 1 HG3 MET 1 -15.298 1.378 -4.627 9 HE1 MET 1 HE1 MET 1 -17.407 3.804 -2.404 10 HE2 MET 1 HE2 MET 1 -16.789 5.384 -2.886 11 HE3 MET 1 HE3 MET 1 -17.742 4.426 -4.021 12 H LYS 2 H LYS 2 -14.530 3.718 -7.840 13 HA LYS 2 HA LYS 2 -12.908 1.269 -7.639 14 HB2 LYS 2 HB2 LYS 2 -12.887 3.557 -9.569 15 HB3 LYS 2 HB3 LYS 2 -11.384 2.717 -9.229 16 HG2 LYS 2 HG2 LYS 2 -12.344 1.784 -11.197 17 HG3 LYS 2 HG3 LYS 2 -12.470 0.599 -9.899 18 HD2 LYS 2 HD2 LYS 2 -14.806 1.219 -9.557 19 HD3 LYS 2 HD3 LYS 2 -14.681 2.418 -10.846 20 HE2 LYS 2 HE2 LYS 2 -15.735 0.386 -11.664 21 HE3 LYS 2 HE3 LYS 2 -14.176 0.637 -12.447 22 HZ1 LYS 2 HZ1 LYS 2 -13.189 -1.019 -11.063 23 HZ2 LYS 2 HZ2 LYS 2 -14.595 -1.684 -11.741 24 HZ3 LYS 2 HZ3 LYS 2 -14.597 -1.167 -10.126 25 H ARG 3 H ARG 3 -12.239 1.512 -5.538 26 HA ARG 3 HA ARG 3 -11.507 3.989 -4.388 27 HB2 ARG 3 HB2 ARG 3 -12.230 1.937 -3.135 28 HB3 ARG 3 HB3 ARG 3 -10.654 1.239 -3.478 29 HG2 ARG 3 HG2 ARG 3 -10.603 2.127 -1.274 30 HG3 ARG 3 HG3 ARG 3 -9.620 3.177 -2.299 31 HD2 ARG 3 HD2 ARG 3 -10.976 4.544 -0.859 32 HD3 ARG 3 HD3 ARG 3 -11.559 4.701 -2.512 33 HE ARG 3 HE ARG 3 -13.010 2.670 -1.246 34 HH11 ARG 3 2HH1 ARG 3 -12.646 6.158 -1.162 35 HH12 ARG 3 1HH1 ARG 3 -14.255 6.426 -0.547 36 HH21 ARG 3 2HH2 ARG 3 -15.120 3.029 -0.447 37 HH22 ARG 3 1HH2 ARG 3 -15.655 4.663 -0.136 38 H LYS 4 H LYS 4 -9.786 5.148 -4.810 39 HA LYS 4 HA LYS 4 -7.476 4.032 -6.121 40 HB2 LYS 4 HB2 LYS 4 -7.869 6.800 -4.969 41 HB3 LYS 4 HB3 LYS 4 -6.612 6.306 -6.099 42 HG2 LYS 4 HG2 LYS 4 -9.572 6.402 -6.631 43 HG3 LYS 4 HG3 LYS 4 -8.340 7.487 -7.278 44 HD2 LYS 4 HD2 LYS 4 -7.418 5.812 -8.636 45 HD3 LYS 4 HD3 LYS 4 -8.229 4.524 -7.744 46 HE2 LYS 4 HE2 LYS 4 -9.281 4.884 -9.910 47 HE3 LYS 4 HE3 LYS 4 -10.385 5.288 -8.595 48 HZ1 LYS 4 HZ1 LYS 4 -8.775 7.275 -10.108 49 HZ2 LYS 4 HZ2 LYS 4 -9.963 7.608 -8.942 50 HZ3 LYS 4 HZ3 LYS 4 -10.400 6.910 -10.423 51 H ILE 5 H ILE 5 -6.098 2.857 -5.020 52 HA ILE 5 HA ILE 5 -5.524 3.612 -2.230 53 HB ILE 5 HB ILE 5 -5.356 0.870 -3.487 54 HG12 ILE 5 2HG1 ILE 5 -7.326 1.987 -1.477 55 HG13 ILE 5 3HG1 ILE 5 -7.673 1.637 -3.167 56 HG21 ILE 5 2HG2 ILE 5 -4.933 1.739 -0.630 57 HG22 ILE 5 1HG2 ILE 5 -3.680 1.194 -1.748 58 HG23 ILE 5 3HG2 ILE 5 -4.932 0.071 -1.210 59 HD11 ILE 5 3HD1 ILE 5 -7.261 -0.730 -2.768 60 HD12 ILE 5 2HD1 ILE 5 -8.521 -0.105 -1.702 61 HD13 ILE 5 1HD1 ILE 5 -6.894 -0.384 -1.079 62 H ILE 6 H ILE 6 -3.526 4.223 -1.800 63 HA ILE 6 HA ILE 6 -1.404 3.526 -3.703 64 HB ILE 6 HB ILE 6 -0.049 5.305 -2.638 65 HG12 ILE 6 2HG1 ILE 6 -1.380 5.259 -0.444 66 HG13 ILE 6 3HG1 ILE 6 -0.882 6.833 -1.046 67 HG21 ILE 6 2HG2 ILE 6 -1.246 5.783 -4.670 68 HG22 ILE 6 1HG2 ILE 6 -1.269 7.205 -3.626 69 HG23 ILE 6 3HG2 ILE 6 -2.702 6.185 -3.760 70 HD11 ILE 6 3HD1 ILE 6 -3.631 5.629 -1.299 71 HD12 ILE 6 2HD1 ILE 6 -3.134 7.202 -1.921 72 HD13 ILE 6 1HD1 ILE 6 -3.141 6.901 -0.183 73 H ALA 7 H ALA 7 0.211 2.218 -3.095 74 HA ALA 7 HA ALA 7 0.377 1.469 -0.260 75 HB1 ALA 7 HB1 ALA 7 0.217 -0.499 -2.540 76 HB2 ALA 7 HB2 ALA 7 0.429 -0.892 -0.834 77 HB3 ALA 7 HB3 ALA 7 -1.076 -0.158 -1.389 78 H VAL 8 H VAL 8 2.397 0.964 0.453 79 HA VAL 8 HA VAL 8 4.541 0.856 -1.554 80 HB VAL 8 HB VAL 8 4.699 2.325 1.090 81 HG11 VAL 8 2HG1 VAL 8 6.758 2.016 -1.091 82 HG12 VAL 8 1HG1 VAL 8 6.807 1.241 0.491 83 HG13 VAL 8 3HG1 VAL 8 6.934 2.995 0.364 84 HG21 VAL 8 3HG2 VAL 8 4.958 4.344 -0.257 85 HG22 VAL 8 2HG2 VAL 8 3.409 3.562 -0.574 86 HG23 VAL 8 1HG2 VAL 8 4.733 3.397 -1.727 87 H THR 9 H THR 9 5.893 -0.788 -1.303 88 HA THR 9 HA THR 9 5.886 -2.190 1.274 89 HB THR 9 HB THR 9 4.647 -3.588 -0.201 90 HG1 THR 9 HG1 THR 9 6.131 -4.729 1.051 91 HG21 THR 9 3HG2 THR 9 5.502 -4.354 -2.358 92 HG22 THR 9 1HG2 THR 9 6.923 -3.327 -2.158 93 HG23 THR 9 2HG2 THR 9 5.326 -2.598 -2.319 94 H ALA 10 H ALA 10 7.845 -2.778 2.070 95 HA ALA 10 HA ALA 10 10.263 -2.611 0.555 96 HB1 ALA 10 HB1 ALA 10 9.765 -0.218 0.735 97 HB2 ALA 10 HB2 ALA 10 9.695 -0.366 2.492 98 HB3 ALA 10 HB3 ALA 10 11.216 -0.648 1.644 99 H CYS 11 H CYS 11 10.863 -4.535 1.472 100 HA CYS 11 HA CYS 11 11.123 -4.648 4.379 101 HB2 CYS 11 HB2 CYS 11 10.251 -6.627 3.172 102 HB3 CYS 11 HB3 CYS 11 11.767 -6.742 2.287 103 HG CYS 11 HG CYS 11 12.753 -6.749 5.314 104 H ALA 12 H ALA 12 12.909 -3.881 1.604 105 HA ALA 12 HA ALA 12 15.029 -3.245 1.175 106 HB1 ALA 12 HB1 ALA 12 15.346 -3.133 4.168 107 HB2 ALA 12 HB2 ALA 12 16.415 -2.394 2.976 108 HB3 ALA 12 HB3 ALA 12 14.755 -1.826 3.144 109 H THR 13 H THR 13 15.674 -5.074 4.142 110 HA THR 13 HA THR 13 17.915 -6.413 3.096 111 HB THR 13 HB THR 13 16.194 -7.405 5.372 112 HG1 THR 13 HG1 THR 13 18.095 -5.271 5.282 113 HG21 THR 13 3HG2 THR 13 18.343 -8.193 6.272 114 HG22 THR 13 1HG2 THR 13 19.164 -7.579 4.837 115 HG23 THR 13 2HG2 THR 13 18.004 -8.901 4.691 116 H GLY 14 H GLY 14 14.634 -7.624 3.795 117 HA2 GLY 14 HA1 GLY 14 15.104 -9.917 2.047 118 HA3 GLY 14 HA2 GLY 14 13.699 -9.661 3.077 119 H VAL 15 H VAL 15 15.324 -8.308 0.236 120 HA VAL 15 HA VAL 15 13.216 -6.710 -0.650 121 HB VAL 15 HB VAL 15 15.551 -6.513 -1.443 122 HG11 VAL 15 2HG1 VAL 15 14.914 -8.945 -3.106 123 HG12 VAL 15 1HG1 VAL 15 16.054 -8.877 -1.761 124 HG13 VAL 15 3HG1 VAL 15 16.370 -7.957 -3.233 125 HG21 VAL 15 3HG2 VAL 15 13.479 -6.842 -3.606 126 HG22 VAL 15 2HG2 VAL 15 15.017 -5.999 -3.793 127 HG23 VAL 15 1HG2 VAL 15 13.806 -5.385 -2.669 128 H ALA 16 H ALA 16 13.775 -10.139 -1.058 129 HA ALA 16 HA ALA 16 11.997 -10.601 -3.201 130 HB1 ALA 16 HB1 ALA 16 12.712 -12.478 -0.951 131 HB2 ALA 16 HB2 ALA 16 12.029 -12.927 -2.512 132 HB3 ALA 16 HB3 ALA 16 13.653 -12.247 -2.423 133 H HIS 17 H HIS 17 11.488 -10.135 0.220 134 HA HIS 17 HA HIS 17 8.804 -11.126 0.282 135 HB2 HIS 17 HB2 HIS 17 10.264 -9.257 2.163 136 HB3 HIS 17 HB3 HIS 17 8.662 -9.916 2.466 137 HD1 HIS 17 HD1 HIS 17 10.842 -10.532 4.473 138 HD2 HIS 17 HD2 HIS 17 10.039 -12.930 1.176 139 HE1 HIS 17 HE1 HIS 17 11.742 -12.806 5.056 140 HE2 HIS 17 HE2 HIS 17 11.068 -14.283 3.122 141 H THR 18 H THR 18 10.337 -8.069 -0.355 142 HA THR 18 HA THR 18 8.154 -6.340 -0.298 143 HB THR 18 HB THR 18 10.519 -6.261 -2.185 144 HG1 THR 18 HG1 THR 18 11.538 -5.082 -0.571 145 HG21 THR 18 3HG2 THR 18 8.768 -4.712 -2.849 146 HG22 THR 18 1HG2 THR 18 10.146 -3.829 -2.189 147 HG23 THR 18 2HG2 THR 18 8.697 -4.061 -1.210 148 H TYR 19 H TYR 19 9.383 -8.409 -2.909 149 HA TYR 19 HA TYR 19 7.522 -7.443 -4.843 150 HB2 TYR 19 HB2 TYR 19 9.352 -9.835 -4.794 151 HB3 TYR 19 HB3 TYR 19 8.276 -9.493 -6.146 152 HD1 TYR 19 HD2 TYR 19 8.668 -7.590 -7.602 153 HD2 TYR 19 HD1 TYR 19 11.284 -8.435 -4.358 154 HE1 TYR 19 HE2 TYR 19 10.333 -6.053 -8.553 155 HE2 TYR 19 HE1 TYR 19 12.956 -6.901 -5.301 156 HH TYR 19 HH TYR 19 12.222 -4.744 -7.878 157 H MET 20 H MET 20 7.620 -10.270 -2.724 158 HA MET 20 HA MET 20 5.386 -11.606 -3.784 159 HB2 MET 20 HB2 MET 20 6.996 -12.631 -2.209 160 HB3 MET 20 HB3 MET 20 6.356 -11.619 -0.920 161 HG2 MET 20 HG2 MET 20 5.381 -13.768 -0.694 162 HG3 MET 20 HG3 MET 20 4.130 -12.676 -1.295 163 HE1 MET 20 HE1 MET 20 4.054 -15.921 -1.356 164 HE2 MET 20 HE2 MET 20 2.709 -14.916 -1.898 165 HE3 MET 20 HE3 MET 20 3.333 -16.192 -2.943 166 H ALA 21 H ALA 21 5.649 -9.230 -1.163 167 HA ALA 21 HA ALA 21 2.930 -9.219 -0.442 168 HB1 ALA 21 HB1 ALA 21 4.697 -8.259 0.958 169 HB2 ALA 21 HB2 ALA 21 4.931 -6.973 -0.226 170 HB3 ALA 21 HB3 ALA 21 3.406 -7.099 0.651 171 H ALA 22 H ALA 22 4.775 -7.193 -2.687 172 HA ALA 22 HA ALA 22 2.751 -5.418 -3.425 173 HB1 ALA 22 HB1 ALA 22 5.034 -6.434 -5.118 174 HB2 ALA 22 HB2 ALA 22 4.090 -4.973 -5.411 175 HB3 ALA 22 HB3 ALA 22 5.110 -5.089 -3.978 176 H GLN 23 H GLN 23 3.694 -8.501 -4.998 177 HA GLN 23 HA GLN 23 1.814 -8.197 -7.093 178 HB2 GLN 23 HB2 GLN 23 2.273 -10.580 -7.608 179 HB3 GLN 23 HB3 GLN 23 3.721 -9.598 -7.469 180 HG2 GLN 23 HG2 GLN 23 4.149 -10.491 -5.259 181 HG3 GLN 23 HG3 GLN 23 2.653 -11.422 -5.326 182 HE21 GLN 23 1HE2 GLN 23 2.966 -12.133 -8.117 183 HE22 GLN 23 2HE2 GLN 23 4.223 -13.329 -8.186 184 H ALA 24 H ALA 24 1.668 -9.961 -4.013 185 HA ALA 24 HA ALA 24 -0.840 -11.198 -4.567 186 HB1 ALA 24 HB1 ALA 24 0.722 -12.069 -2.890 187 HB2 ALA 24 HB2 ALA 24 0.450 -10.636 -1.899 188 HB3 ALA 24 HB3 ALA 24 -0.873 -11.763 -2.200 189 H LEU 25 H LEU 25 0.098 -8.346 -2.690 190 HA LEU 25 HA LEU 25 -2.429 -7.508 -1.857 191 HB2 LEU 25 HB2 LEU 25 -0.387 -6.563 -0.988 192 HB3 LEU 25 HB3 LEU 25 0.039 -5.924 -2.561 193 HG LEU 25 HG LEU 25 -1.951 -4.419 -2.418 194 HD11 LEU 25 2HD1 LEU 25 -2.039 -5.433 0.420 195 HD12 LEU 25 1HD1 LEU 25 -3.271 -5.687 -0.818 196 HD13 LEU 25 3HD1 LEU 25 -2.952 -4.062 -0.208 197 HD21 LEU 25 3HD2 LEU 25 0.033 -4.135 -0.172 198 HD22 LEU 25 2HD2 LEU 25 -0.864 -2.840 -0.965 199 HD23 LEU 25 1HD2 LEU 25 0.366 -3.741 -1.859 200 H LYS 26 H LYS 26 -0.640 -6.707 -4.808 201 HA LYS 26 HA LYS 26 -2.557 -4.890 -5.833 202 HB2 LYS 26 HB2 LYS 26 -0.102 -5.073 -6.424 203 HB3 LYS 26 HB3 LYS 26 -0.522 -6.466 -7.406 204 HG2 LYS 26 HG2 LYS 26 -1.827 -5.132 -8.879 205 HG3 LYS 26 HG3 LYS 26 -1.710 -3.733 -7.804 206 HD2 LYS 26 HD2 LYS 26 0.753 -3.761 -8.128 207 HD3 LYS 26 HD3 LYS 26 0.546 -5.053 -9.309 208 HE2 LYS 26 HE2 LYS 26 -0.725 -3.605 -10.747 209 HE3 LYS 26 HE3 LYS 26 -0.733 -2.333 -9.524 210 HZ1 LYS 26 HZ1 LYS 26 1.665 -3.376 -10.941 211 HZ2 LYS 26 HZ2 LYS 26 1.686 -2.192 -9.727 212 HZ3 LYS 26 HZ3 LYS 26 0.924 -1.872 -11.205 213 H LYS 27 H LYS 27 -2.151 -8.343 -6.042 214 HA LYS 27 HA LYS 27 -3.806 -8.866 -8.257 215 HB2 LYS 27 HB2 LYS 27 -2.205 -10.467 -7.271 216 HB3 LYS 27 HB3 LYS 27 -3.206 -10.569 -5.832 217 HG2 LYS 27 HG2 LYS 27 -5.033 -11.497 -7.215 218 HG3 LYS 27 HG3 LYS 27 -3.942 -11.483 -8.604 219 HD2 LYS 27 HD2 LYS 27 -3.334 -12.897 -6.022 220 HD3 LYS 27 HD3 LYS 27 -4.114 -13.689 -7.395 221 HE2 LYS 27 HE2 LYS 27 -1.400 -12.362 -7.432 222 HE3 LYS 27 HE3 LYS 27 -1.679 -14.097 -7.305 223 HZ1 LYS 27 HZ1 LYS 27 -1.176 -13.541 -9.564 224 HZ2 LYS 27 HZ2 LYS 27 -2.379 -12.349 -9.606 225 HZ3 LYS 27 HZ3 LYS 27 -2.812 -13.986 -9.481 226 H GLY 28 H GLY 28 -4.465 -8.833 -4.758 227 HA2 GLY 28 HA1 GLY 28 -7.221 -9.507 -5.005 228 HA3 GLY 28 HA2 GLY 28 -6.441 -8.845 -3.577 229 H ALA 29 H ALA 29 -5.477 -6.482 -5.058 230 HA ALA 29 HA ALA 29 -7.638 -4.751 -4.547 231 HB1 ALA 29 HB1 ALA 29 -6.236 -3.007 -5.542 232 HB2 ALA 29 HB2 ALA 29 -5.321 -4.015 -4.420 233 HB3 ALA 29 HB3 ALA 29 -5.140 -4.244 -6.159 234 H LYS 30 H LYS 30 -6.312 -6.025 -7.590 235 HA LYS 30 HA LYS 30 -8.138 -4.599 -9.241 236 HB2 LYS 30 HB2 LYS 30 -5.933 -5.623 -9.986 237 HB3 LYS 30 HB3 LYS 30 -6.755 -7.179 -9.976 238 HG2 LYS 30 HG2 LYS 30 -8.438 -6.187 -11.554 239 HG3 LYS 30 HG3 LYS 30 -7.377 -4.787 -11.688 240 HD2 LYS 30 HD2 LYS 30 -6.935 -6.229 -13.540 241 HD3 LYS 30 HD3 LYS 30 -5.562 -6.333 -12.434 242 HE2 LYS 30 HE2 LYS 30 -6.246 -8.447 -11.633 243 HE3 LYS 30 HE3 LYS 30 -7.838 -8.296 -12.379 244 HZ1 LYS 30 HZ1 LYS 30 -5.283 -8.488 -13.880 245 HZ2 LYS 30 HZ2 LYS 30 -6.838 -8.449 -14.543 246 HZ3 LYS 30 HZ3 LYS 30 -6.347 -9.785 -13.617 247 H LYS 31 H LYS 31 -8.216 -7.669 -7.590 248 HA LYS 31 HA LYS 31 -10.356 -8.912 -8.887 249 HB2 LYS 31 HB2 LYS 31 -8.985 -10.113 -7.288 250 HB3 LYS 31 HB3 LYS 31 -9.482 -9.034 -5.992 251 HG2 LYS 31 HG2 LYS 31 -10.654 -11.104 -5.762 252 HG3 LYS 31 HG3 LYS 31 -11.802 -9.862 -6.262 253 HD2 LYS 31 HD2 LYS 31 -11.509 -10.660 -8.618 254 HD3 LYS 31 HD3 LYS 31 -10.554 -12.001 -7.983 255 HE2 LYS 31 HE2 LYS 31 -13.439 -11.382 -7.361 256 HE3 LYS 31 HE3 LYS 31 -12.837 -12.710 -8.350 257 HZ1 LYS 31 HZ1 LYS 31 -12.340 -12.345 -5.443 258 HZ2 LYS 31 HZ2 LYS 31 -11.742 -13.618 -6.390 259 HZ3 LYS 31 HZ3 LYS 31 -13.410 -13.460 -6.136 260 H MET 32 H MET 32 -10.295 -6.632 -6.193 261 HA MET 32 HA MET 32 -13.146 -6.686 -5.843 262 HB2 MET 32 HB2 MET 32 -10.996 -4.905 -4.688 263 HB3 MET 32 HB3 MET 32 -12.695 -4.804 -4.245 264 HG2 MET 32 HG2 MET 32 -11.009 -7.276 -3.924 265 HG3 MET 32 HG3 MET 32 -11.279 -6.086 -2.654 266 HE1 MET 32 HE1 MET 32 -13.452 -9.147 -1.493 267 HE2 MET 32 HE2 MET 32 -11.901 -9.209 -2.329 268 HE3 MET 32 HE3 MET 32 -12.165 -8.025 -1.047 269 H GLY 33 H GLY 33 -11.185 -5.271 -8.113 270 HA2 GLY 33 HA1 GLY 33 -11.829 -3.958 -9.901 271 HA3 GLY 33 HA2 GLY 33 -13.385 -3.716 -9.124 272 H ASN 34 H ASN 34 -10.068 -2.945 -8.067 273 HA ASN 34 HA ASN 34 -10.868 -0.113 -7.967 274 HB2 ASN 34 HB2 ASN 34 -9.184 -1.539 -5.895 275 HB3 ASN 34 HB3 ASN 34 -9.607 0.169 -5.885 276 HD21 ASN 34 1HD2 ASN 34 -10.642 -3.033 -5.230 277 HD22 ASN 34 2HD2 ASN 34 -12.159 -2.631 -4.508 278 H LEU 35 H LEU 35 -8.820 1.286 -7.608 279 HA LEU 35 HA LEU 35 -6.720 0.284 -9.408 280 HB2 LEU 35 HB2 LEU 35 -7.798 3.052 -8.964 281 HB3 LEU 35 HB3 LEU 35 -6.197 2.809 -9.626 282 HG LEU 35 HG LEU 35 -7.266 1.476 -11.482 283 HD11 LEU 35 2HD1 LEU 35 -9.799 2.670 -10.379 284 HD12 LEU 35 1HD1 LEU 35 -9.374 0.961 -10.365 285 HD13 LEU 35 3HD1 LEU 35 -9.636 1.791 -11.897 286 HD21 LEU 35 3HD2 LEU 35 -6.521 3.751 -11.815 287 HD22 LEU 35 2HD2 LEU 35 -8.038 4.371 -11.161 288 HD23 LEU 35 1HD2 LEU 35 -8.033 3.479 -12.685 289 H ILE 36 H ILE 36 -4.769 0.002 -8.558 290 HA ILE 36 HA ILE 36 -4.173 1.341 -6.014 291 HB ILE 36 HB ILE 36 -4.824 -1.015 -5.622 292 HG12 ILE 36 2HG1 ILE 36 -1.897 -0.472 -5.110 293 HG13 ILE 36 3HG1 ILE 36 -3.225 0.152 -4.142 294 HG21 ILE 36 2HG2 ILE 36 -3.327 -2.823 -6.354 295 HG22 ILE 36 1HG2 ILE 36 -2.412 -1.657 -7.311 296 HG23 ILE 36 3HG2 ILE 36 -4.096 -1.997 -7.709 297 HD11 ILE 36 3HD1 ILE 36 -2.516 -2.751 -4.499 298 HD12 ILE 36 2HD1 ILE 36 -3.854 -2.127 -3.533 299 HD13 ILE 36 1HD1 ILE 36 -2.189 -1.763 -3.075 300 H LYS 37 H LYS 37 -2.158 2.108 -5.762 301 HA LYS 37 HA LYS 37 -0.227 1.621 -7.939 302 HB2 LYS 37 HB2 LYS 37 -0.701 4.095 -6.266 303 HB3 LYS 37 HB3 LYS 37 0.735 3.871 -7.255 304 HG2 LYS 37 HG2 LYS 37 -2.091 3.875 -8.302 305 HG3 LYS 37 HG3 LYS 37 -0.987 5.252 -8.349 306 HD2 LYS 37 HD2 LYS 37 -0.433 2.576 -9.629 307 HD3 LYS 37 HD3 LYS 37 -1.102 3.968 -10.484 308 HE2 LYS 37 HE2 LYS 37 1.495 4.108 -8.975 309 HE3 LYS 37 HE3 LYS 37 1.417 3.577 -10.654 310 HZ1 LYS 37 HZ1 LYS 37 0.668 5.665 -11.351 311 HZ2 LYS 37 HZ2 LYS 37 1.898 6.013 -10.238 312 HZ3 LYS 37 HZ3 LYS 37 0.271 6.170 -9.784 313 H VAL 38 H VAL 38 1.131 0.118 -7.177 314 HA VAL 38 HA VAL 38 1.899 0.257 -4.344 315 HB VAL 38 HB VAL 38 2.398 -2.063 -6.217 316 HG11 VAL 38 2HG1 VAL 38 2.417 -1.874 -3.208 317 HG12 VAL 38 1HG1 VAL 38 3.838 -1.978 -4.248 318 HG13 VAL 38 3HG1 VAL 38 2.709 -3.331 -4.160 319 HG21 VAL 38 3HG2 VAL 38 -0.006 -1.666 -6.035 320 HG22 VAL 38 2HG2 VAL 38 0.121 -1.682 -4.277 321 HG23 VAL 38 1HG2 VAL 38 0.464 -3.146 -5.199 322 H GLU 39 H GLU 39 3.791 1.041 -3.826 323 HA GLU 39 HA GLU 39 5.878 1.317 -5.855 324 HB2 GLU 39 HB2 GLU 39 5.307 3.292 -4.506 325 HB3 GLU 39 HB3 GLU 39 5.688 2.406 -3.036 326 HG2 GLU 39 HG2 GLU 39 8.025 2.156 -3.921 327 HG3 GLU 39 HG3 GLU 39 7.580 3.285 -5.199 328 H THR 40 H THR 40 7.514 -0.101 -5.958 329 HA THR 40 HA THR 40 7.996 -1.835 -3.653 330 HB THR 40 HB THR 40 9.441 -3.127 -5.301 331 HG1 THR 40 HG1 THR 40 9.707 -2.245 -7.195 332 HG21 THR 40 3HG2 THR 40 7.511 -4.215 -6.369 333 HG22 THR 40 1HG2 THR 40 6.490 -2.859 -5.889 334 HG23 THR 40 2HG2 THR 40 7.218 -3.892 -4.660 335 H GLN 41 H GLN 41 9.398 -0.978 -2.283 336 HA GLN 41 HA GLN 41 11.794 0.346 -3.377 337 HB2 GLN 41 HB2 GLN 41 10.253 1.674 -1.885 338 HB3 GLN 41 HB3 GLN 41 10.659 0.568 -0.582 339 HG2 GLN 41 HG2 GLN 41 12.899 1.293 -0.530 340 HG3 GLN 41 HG3 GLN 41 12.734 2.147 -2.064 341 HE21 GLN 41 1HE2 GLN 41 10.089 3.216 -1.325 342 HE22 GLN 41 2HE2 GLN 41 10.409 4.481 -0.202 343 H GLY 42 H GLY 42 13.382 -1.098 -3.530 344 HA2 GLY 42 HA1 GLY 42 13.474 -3.358 -1.697 345 HA3 GLY 42 HA2 GLY 42 14.483 -3.122 -3.119 346 H ALA 43 H ALA 43 16.477 -2.346 -2.879 347 HA ALA 43 HA ALA 43 17.243 -1.430 -0.177 348 HB1 ALA 43 HB1 ALA 43 18.923 -3.032 -2.111 349 HB2 ALA 43 HB2 ALA 43 19.429 -2.464 -0.519 350 HB3 ALA 43 HB3 ALA 43 18.141 -3.662 -0.660 351 H THR 44 H THR 44 17.012 0.733 -0.665 352 HA THR 44 HA THR 44 17.664 2.801 -1.343 353 HB THR 44 HB THR 44 20.018 1.411 -2.657 354 HG1 THR 44 HG1 THR 44 20.121 1.013 -0.461 355 HG21 THR 44 3HG2 THR 44 19.680 3.683 -3.504 356 HG22 THR 44 1HG2 THR 44 21.119 3.602 -2.490 357 HG23 THR 44 2HG2 THR 44 19.631 4.301 -1.854 358 H GLY 45 H GLY 45 16.855 0.296 -3.400 359 HA2 GLY 45 HA1 GLY 45 16.719 2.052 -5.757 360 HA3 GLY 45 HA2 GLY 45 16.747 0.295 -5.812 361 H ILE 46 H ILE 46 14.822 3.019 -5.876 362 HA ILE 46 HA ILE 46 12.394 1.549 -5.138 363 HB ILE 46 HB ILE 46 12.550 4.459 -5.930 364 HG12 ILE 46 2HG1 ILE 46 12.788 3.296 -3.145 365 HG13 ILE 46 3HG1 ILE 46 14.095 4.061 -4.043 366 HG21 ILE 46 2HG2 ILE 46 10.575 2.884 -4.286 367 HG22 ILE 46 1HG2 ILE 46 10.337 3.457 -5.935 368 HG23 ILE 46 3HG2 ILE 46 10.484 4.615 -4.615 369 HD11 ILE 46 3HD1 ILE 46 13.160 5.570 -2.396 370 HD12 ILE 46 2HD1 ILE 46 11.562 5.399 -3.122 371 HD13 ILE 46 1HD1 ILE 46 12.863 6.169 -4.028 372 H GLU 47 H GLU 47 10.948 0.899 -6.690 373 HA GLU 47 HA GLU 47 11.848 1.353 -9.455 374 HB2 GLU 47 HB2 GLU 47 10.075 -0.835 -8.373 375 HB3 GLU 47 HB3 GLU 47 10.717 -0.725 -10.006 376 HG2 GLU 47 HG2 GLU 47 12.980 -0.943 -9.142 377 HG3 GLU 47 HG3 GLU 47 12.349 -1.036 -7.499 378 H ASN 48 H ASN 48 9.989 3.095 -7.816 379 HA ASN 48 HA ASN 48 8.096 3.573 -9.912 380 HB2 ASN 48 HB2 ASN 48 7.042 1.705 -8.545 381 HB3 ASN 48 HB3 ASN 48 6.932 2.854 -7.214 382 HD21 ASN 48 1HD2 ASN 48 5.623 1.817 -10.212 383 HD22 ASN 48 2HD2 ASN 48 4.292 2.926 -10.264 384 H GLU 49 H GLU 49 8.205 4.137 -6.409 385 HA GLU 49 HA GLU 49 8.043 5.971 -5.134 386 HB2 GLU 49 HB2 GLU 49 10.196 6.609 -6.040 387 HB3 GLU 49 HB3 GLU 49 9.431 7.310 -7.461 388 HG2 GLU 49 HG2 GLU 49 8.539 9.095 -6.237 389 HG3 GLU 49 HG3 GLU 49 8.832 8.298 -4.694 390 H LEU 50 H LEU 50 5.952 6.256 -4.876 391 HA LEU 50 HA LEU 50 4.120 7.037 -6.862 392 HB2 LEU 50 HB2 LEU 50 3.868 7.360 -3.868 393 HB3 LEU 50 HB3 LEU 50 2.548 7.389 -5.021 394 HG LEU 50 HG LEU 50 4.294 5.001 -4.407 395 HD11 LEU 50 2HD1 LEU 50 1.420 5.589 -3.714 396 HD12 LEU 50 1HD1 LEU 50 2.774 5.529 -2.588 397 HD13 LEU 50 3HD1 LEU 50 2.257 4.065 -3.423 398 HD21 LEU 50 3HD2 LEU 50 2.746 3.755 -5.819 399 HD22 LEU 50 2HD2 LEU 50 3.550 5.030 -6.735 400 HD23 LEU 50 1HD2 LEU 50 1.883 5.245 -6.202 401 H THR 51 H THR 51 3.512 8.958 -7.636 402 HA THR 51 HA THR 51 5.053 11.277 -6.983 403 HB THR 51 HB THR 51 3.834 12.409 -8.716 404 HG1 THR 51 HG1 THR 51 2.089 10.275 -9.235 405 HG21 THR 51 3HG2 THR 51 5.470 10.816 -9.535 406 HG22 THR 51 1HG2 THR 51 4.079 10.849 -10.618 407 HG23 THR 51 2HG2 THR 51 4.278 9.519 -9.476 408 H GLU 52 H GLU 52 4.114 13.347 -6.346 409 HA GLU 52 HA GLU 52 2.471 13.214 -4.079 410 HB2 GLU 52 HB2 GLU 52 3.970 15.071 -4.420 411 HB3 GLU 52 HB3 GLU 52 3.158 15.518 -5.912 412 HG2 GLU 52 HG2 GLU 52 1.394 15.484 -3.587 413 HG3 GLU 52 HG3 GLU 52 2.724 16.636 -3.462 414 H LYS 53 H LYS 53 1.737 13.659 -7.472 415 HA LYS 53 HA LYS 53 -0.962 14.429 -7.174 416 HB2 LYS 53 HB2 LYS 53 0.655 14.389 -9.275 417 HB3 LYS 53 HB3 LYS 53 -0.088 12.815 -9.531 418 HG2 LYS 53 HG2 LYS 53 -1.257 14.500 -10.800 419 HG3 LYS 53 HG3 LYS 53 -2.304 13.881 -9.519 420 HD2 LYS 53 HD2 LYS 53 -1.711 15.830 -8.130 421 HD3 LYS 53 HD3 LYS 53 -0.731 16.457 -9.456 422 HE2 LYS 53 HE2 LYS 53 -2.901 17.548 -9.396 423 HE3 LYS 53 HE3 LYS 53 -2.727 16.589 -10.864 424 HZ1 LYS 53 HZ1 LYS 53 -4.120 14.908 -9.976 425 HZ2 LYS 53 HZ2 LYS 53 -4.917 16.381 -9.717 426 HZ3 LYS 53 HZ3 LYS 53 -4.124 15.612 -8.434 427 H ASP 54 H ASP 54 0.515 11.247 -7.877 428 HA ASP 54 HA ASP 54 -1.825 9.712 -7.802 429 HB2 ASP 54 HB2 ASP 54 1.043 9.027 -7.175 430 HB3 ASP 54 HB3 ASP 54 -0.234 7.826 -7.041 431 H VAL 55 H VAL 55 0.323 10.728 -5.240 432 HA VAL 55 HA VAL 55 -0.746 9.209 -3.149 433 HB VAL 55 HB VAL 55 0.765 11.810 -3.207 434 HG11 VAL 55 2HG1 VAL 55 -0.590 11.850 -1.199 435 HG12 VAL 55 1HG1 VAL 55 1.106 11.572 -0.795 436 HG13 VAL 55 3HG1 VAL 55 -0.038 10.229 -0.776 437 HG21 VAL 55 3HG2 VAL 55 2.035 9.900 -3.885 438 HG22 VAL 55 2HG2 VAL 55 1.479 8.978 -2.489 439 HG23 VAL 55 1HG2 VAL 55 2.541 10.361 -2.262 440 H ASN 56 H ASN 56 -1.737 12.321 -4.471 441 HA ASN 56 HA ASN 56 -3.677 12.756 -2.372 442 HB2 ASN 56 HB2 ASN 56 -2.905 14.238 -4.857 443 HB3 ASN 56 HB3 ASN 56 -4.430 14.610 -4.059 444 HD21 ASN 56 1HD2 ASN 56 -0.967 14.722 -3.822 445 HD22 ASN 56 2HD2 ASN 56 -0.901 15.787 -2.454 446 H ILE 57 H ILE 57 -3.640 11.475 -5.628 447 HA ILE 57 HA ILE 57 -6.438 11.372 -6.022 448 HB ILE 57 HB ILE 57 -4.290 9.564 -7.159 449 HG12 ILE 57 2HG1 ILE 57 -5.663 11.978 -8.365 450 HG13 ILE 57 3HG1 ILE 57 -4.039 11.983 -7.686 451 HG21 ILE 57 2HG2 ILE 57 -5.932 9.020 -8.903 452 HG22 ILE 57 1HG2 ILE 57 -7.146 9.974 -8.048 453 HG23 ILE 57 3HG2 ILE 57 -6.485 8.519 -7.303 454 HD11 ILE 57 3HD1 ILE 57 -3.949 11.851 -10.090 455 HD12 ILE 57 2HD1 ILE 57 -4.967 10.411 -10.077 456 HD13 ILE 57 1HD1 ILE 57 -3.349 10.353 -9.380 457 H GLY 58 H GLY 58 -4.122 8.945 -4.833 458 HA2 GLY 58 HA1 GLY 58 -6.061 7.036 -4.057 459 HA3 GLY 58 HA2 GLY 58 -4.407 7.134 -3.462 460 H GLU 59 H GLU 59 -7.028 6.634 -2.090 461 HA GLU 59 HA GLU 59 -7.188 8.984 -0.344 462 HB2 GLU 59 HB2 GLU 59 -9.013 6.586 -0.578 463 HB3 GLU 59 HB3 GLU 59 -9.261 7.934 0.524 464 HG2 GLU 59 HG2 GLU 59 -9.421 9.451 -1.410 465 HG3 GLU 59 HG3 GLU 59 -9.244 8.064 -2.485 466 H VAL 60 H VAL 60 -7.395 5.456 0.174 467 HA VAL 60 HA VAL 60 -6.149 5.834 2.765 468 HB VAL 60 HB VAL 60 -8.235 4.522 2.636 469 HG11 VAL 60 2HG1 VAL 60 -8.213 2.271 1.647 470 HG12 VAL 60 1HG1 VAL 60 -6.606 2.590 0.993 471 HG13 VAL 60 3HG1 VAL 60 -7.987 3.534 0.436 472 HG21 VAL 60 3HG2 VAL 60 -7.468 2.611 3.949 473 HG22 VAL 60 2HG2 VAL 60 -6.666 4.108 4.425 474 HG23 VAL 60 1HG2 VAL 60 -5.815 2.932 3.427 475 H VAL 61 H VAL 61 -4.265 4.769 3.371 476 HA VAL 61 HA VAL 61 -2.604 3.919 1.090 477 HB VAL 61 HB VAL 61 -1.597 4.936 3.749 478 HG11 VAL 61 2HG1 VAL 61 -0.010 3.637 2.427 479 HG12 VAL 61 1HG1 VAL 61 0.471 5.331 2.512 480 HG13 VAL 61 3HG1 VAL 61 -0.278 4.700 1.046 481 HG21 VAL 61 3HG2 VAL 61 -1.240 7.107 2.645 482 HG22 VAL 61 2HG2 VAL 61 -2.951 6.692 2.771 483 HG23 VAL 61 1HG2 VAL 61 -2.111 6.515 1.230 484 H ILE 62 H ILE 62 -1.444 2.043 1.206 485 HA ILE 62 HA ILE 62 -1.796 0.408 3.633 486 HB ILE 62 HB ILE 62 -1.619 -0.535 0.766 487 HG12 ILE 62 2HG1 ILE 62 -3.859 -0.712 2.793 488 HG13 ILE 62 3HG1 ILE 62 -3.818 0.368 1.405 489 HG21 ILE 62 2HG2 ILE 62 -1.935 -2.800 1.700 490 HG22 ILE 62 1HG2 ILE 62 -1.772 -2.130 3.324 491 HG23 ILE 62 3HG2 ILE 62 -0.413 -2.063 2.203 492 HD11 ILE 62 3HD1 ILE 62 -3.888 -2.639 1.307 493 HD12 ILE 62 2HD1 ILE 62 -3.831 -1.562 -0.090 494 HD13 ILE 62 1HD1 ILE 62 -5.235 -1.548 0.978 495 H PHE 63 H PHE 63 0.039 0.181 4.701 496 HA PHE 63 HA PHE 63 2.557 0.197 3.188 497 HB2 PHE 63 HB2 PHE 63 1.844 1.044 5.957 498 HB3 PHE 63 HB3 PHE 63 3.457 0.390 5.685 499 HD1 PHE 63 HD2 PHE 63 3.738 1.471 2.836 500 HD2 PHE 63 HD1 PHE 63 2.501 3.257 6.494 501 HE1 PHE 63 HE2 PHE 63 4.487 3.663 2.016 502 HE2 PHE 63 HE1 PHE 63 3.246 5.455 5.677 503 HZ PHE 63 HZ PHE 63 4.238 5.655 3.432 504 H ALA 64 H ALA 64 3.383 -1.692 2.785 505 HA ALA 64 HA ALA 64 3.317 -3.715 4.926 506 HB1 ALA 64 HB1 ALA 64 3.337 -4.167 1.935 507 HB2 ALA 64 HB2 ALA 64 3.507 -5.435 3.152 508 HB3 ALA 64 HB3 ALA 64 2.006 -4.513 3.042 509 H VAL 65 H VAL 65 5.248 -3.064 5.840 510 HA VAL 65 HA VAL 65 7.633 -3.206 4.145 511 HB VAL 65 HB VAL 65 8.491 -1.067 5.062 512 HG11 VAL 65 2HG1 VAL 65 7.481 -1.085 2.849 513 HG12 VAL 65 1HG1 VAL 65 7.131 0.431 3.681 514 HG13 VAL 65 3HG1 VAL 65 5.888 -0.815 3.559 515 HG21 VAL 65 3HG2 VAL 65 7.170 -0.932 7.090 516 HG22 VAL 65 2HG2 VAL 65 5.692 -0.759 6.145 517 HG23 VAL 65 1HG2 VAL 65 6.914 0.512 6.110 518 H ASP 66 H ASP 66 9.622 -2.816 5.496 519 HA ASP 66 HA ASP 66 9.312 -3.640 8.296 520 HB2 ASP 66 HB2 ASP 66 9.955 -5.663 7.150 521 HB3 ASP 66 HB3 ASP 66 11.222 -4.823 6.265 522 H THR 67 H THR 67 10.683 -1.644 5.927 523 HA THR 67 HA THR 67 12.664 -0.610 7.838 524 HB THR 67 HB THR 67 13.711 -1.798 5.923 525 HG1 THR 67 HG1 THR 67 15.272 -0.388 6.090 526 HG21 THR 67 3HG2 THR 67 13.631 -0.781 3.689 527 HG22 THR 67 1HG2 THR 67 12.436 0.382 4.268 528 HG23 THR 67 2HG2 THR 67 12.042 -1.338 4.214 529 H LYS 68 H LYS 68 13.433 1.612 6.422 530 HA LYS 68 HA LYS 68 11.364 3.470 7.041 531 HB2 LYS 68 HB2 LYS 68 12.987 5.139 6.172 532 HB3 LYS 68 HB3 LYS 68 13.694 4.051 7.362 533 HG2 LYS 68 HG2 LYS 68 14.512 2.675 5.384 534 HG3 LYS 68 HG3 LYS 68 14.086 4.065 4.387 535 HD2 LYS 68 HD2 LYS 68 15.614 5.471 5.618 536 HD3 LYS 68 HD3 LYS 68 15.971 4.154 6.741 537 HE2 LYS 68 HE2 LYS 68 16.805 2.835 4.781 538 HE3 LYS 68 HE3 LYS 68 16.629 4.292 3.803 539 HZ1 LYS 68 HZ1 LYS 68 18.399 3.937 6.162 540 HZ2 LYS 68 HZ2 LYS 68 18.164 5.413 5.354 541 HZ3 LYS 68 HZ3 LYS 68 18.881 4.107 4.543 542 H VAL 69 H VAL 69 10.314 4.911 5.613 543 HA VAL 69 HA VAL 69 10.272 4.094 2.791 544 HB VAL 69 HB VAL 69 7.887 4.708 4.541 545 HG11 VAL 69 2HG1 VAL 69 7.514 5.807 2.442 546 HG12 VAL 69 1HG1 VAL 69 6.525 4.347 2.501 547 HG13 VAL 69 3HG1 VAL 69 8.012 4.367 1.550 548 HG21 VAL 69 3HG2 VAL 69 8.679 2.421 4.716 549 HG22 VAL 69 2HG2 VAL 69 8.641 2.256 2.959 550 HG23 VAL 69 1HG2 VAL 69 7.139 2.476 3.858 551 H ARG 70 H ARG 70 10.263 5.732 1.340 552 HA ARG 70 HA ARG 70 10.824 8.379 2.376 553 HB2 ARG 70 HB2 ARG 70 10.983 7.278 -0.435 554 HB3 ARG 70 HB3 ARG 70 11.507 8.881 0.055 555 HG2 ARG 70 HG2 ARG 70 13.205 7.899 1.502 556 HG3 ARG 70 HG3 ARG 70 12.673 6.283 1.038 557 HD2 ARG 70 HD2 ARG 70 14.637 6.889 -0.234 558 HD3 ARG 70 HD3 ARG 70 13.240 6.799 -1.305 559 HE ARG 70 HE ARG 70 14.644 9.237 -0.453 560 HH11 ARG 70 2HH1 ARG 70 12.198 7.689 -2.421 561 HH12 ARG 70 1HH1 ARG 70 11.930 9.077 -3.435 562 HH21 ARG 70 2HH2 ARG 70 14.318 11.068 -1.788 563 HH22 ARG 70 1HH2 ARG 70 13.139 11.001 -3.067 564 H ASN 71 H ASN 71 8.221 6.676 0.986 565 HA ASN 71 HA ASN 71 6.874 9.072 0.087 566 HB2 ASN 71 HB2 ASN 71 6.548 6.309 -0.434 567 HB3 ASN 71 HB3 ASN 71 5.071 6.874 0.343 568 HD21 ASN 71 1HD2 ASN 71 7.022 7.001 -2.490 569 HD22 ASN 71 2HD2 ASN 71 5.949 7.981 -3.430 570 H LYS 72 H LYS 72 7.473 7.744 3.058 571 HA LYS 72 HA LYS 72 5.001 7.589 4.328 572 HB2 LYS 72 HB2 LYS 72 7.751 8.161 5.378 573 HB3 LYS 72 HB3 LYS 72 6.355 8.154 6.440 574 HG2 LYS 72 HG2 LYS 72 5.870 5.839 5.702 575 HG3 LYS 72 HG3 LYS 72 7.384 5.867 4.794 576 HD2 LYS 72 HD2 LYS 72 7.784 4.795 6.904 577 HD3 LYS 72 HD3 LYS 72 8.576 6.371 6.923 578 HE2 LYS 72 HE2 LYS 72 6.688 7.299 8.176 579 HE3 LYS 72 HE3 LYS 72 5.900 5.721 8.156 580 HZ1 LYS 72 HZ1 LYS 72 8.500 6.353 9.450 581 HZ2 LYS 72 HZ2 LYS 72 7.761 4.826 9.421 582 HZ3 LYS 72 HZ3 LYS 72 7.025 6.104 10.250 583 H GLU 73 H GLU 73 7.136 10.380 3.926 584 HA GLU 73 HA GLU 73 5.713 12.146 5.586 585 HB2 GLU 73 HB2 GLU 73 6.666 13.932 3.929 586 HB3 GLU 73 HB3 GLU 73 7.749 13.020 4.969 587 HG2 GLU 73 HG2 GLU 73 7.181 11.976 2.244 588 HG3 GLU 73 HG3 GLU 73 8.253 13.366 2.417 589 H ARG 74 H ARG 74 5.113 11.162 2.283 590 HA ARG 74 HA ARG 74 3.174 13.122 1.679 591 HB2 ARG 74 HB2 ARG 74 3.961 10.470 0.535 592 HB3 ARG 74 HB3 ARG 74 2.542 11.317 -0.072 593 HG2 ARG 74 HG2 ARG 74 3.770 13.066 -0.890 594 HG3 ARG 74 HG3 ARG 74 5.155 12.735 0.144 595 HD2 ARG 74 HD2 ARG 74 4.379 10.656 -1.809 596 HD3 ARG 74 HD3 ARG 74 5.117 12.119 -2.454 597 HE ARG 74 HE ARG 74 6.473 10.709 -0.277 598 HH11 ARG 74 2HH1 ARG 74 6.266 11.399 -3.695 599 HH12 ARG 74 1HH1 ARG 74 7.927 11.022 -4.011 600 HH21 ARG 74 2HH2 ARG 74 8.686 10.195 -0.688 601 HH22 ARG 74 1HH2 ARG 74 9.298 10.337 -2.308 602 H PHE 75 H PHE 75 2.987 9.925 3.160 603 HA PHE 75 HA PHE 75 0.074 10.125 3.271 604 HB2 PHE 75 HB2 PHE 75 1.798 7.832 4.198 605 HB3 PHE 75 HB3 PHE 75 0.084 7.812 3.819 606 HD1 PHE 75 HD2 PHE 75 -0.164 9.013 1.254 607 HD2 PHE 75 HD1 PHE 75 2.935 6.508 2.738 608 HE1 PHE 75 HE2 PHE 75 0.360 8.305 -1.040 609 HE2 PHE 75 HE1 PHE 75 3.465 5.797 0.445 610 HZ PHE 75 HZ PHE 75 2.174 6.693 -1.447 611 H ASP 76 H ASP 76 2.250 11.542 4.983 612 HA ASP 76 HA ASP 76 2.164 10.299 7.543 613 HB2 ASP 76 HB2 ASP 76 4.062 11.702 6.753 614 HB3 ASP 76 HB3 ASP 76 3.022 13.118 6.873 615 H GLY 77 H GLY 77 0.498 13.046 6.094 616 HA2 GLY 77 HA1 GLY 77 -1.096 13.330 8.550 617 HA3 GLY 77 HA2 GLY 77 -1.012 14.501 7.242 618 H LYS 78 H LYS 78 -1.382 11.094 6.646 619 HA LYS 78 HA LYS 78 -4.183 11.561 5.884 620 HB2 LYS 78 HB2 LYS 78 -2.460 9.767 4.209 621 HB3 LYS 78 HB3 LYS 78 -3.904 10.665 3.756 622 HG2 LYS 78 HG2 LYS 78 -2.311 12.726 4.284 623 HG3 LYS 78 HG3 LYS 78 -1.077 11.542 3.869 624 HD2 LYS 78 HD2 LYS 78 -3.408 12.328 2.121 625 HD3 LYS 78 HD3 LYS 78 -1.762 12.931 1.960 626 HE2 LYS 78 HE2 LYS 78 -1.875 11.274 0.353 627 HE3 LYS 78 HE3 LYS 78 -1.102 10.456 1.706 628 HZ1 LYS 78 HZ1 LYS 78 -2.915 9.186 0.569 629 HZ2 LYS 78 HZ2 LYS 78 -4.025 10.320 1.165 630 HZ3 LYS 78 HZ3 LYS 78 -3.129 9.365 2.236 631 H VAL 79 H VAL 79 -4.996 9.136 5.140 632 HA VAL 79 HA VAL 79 -4.712 7.630 7.630 633 HB VAL 79 HB VAL 79 -6.728 7.223 5.411 634 HG11 VAL 79 2HG1 VAL 79 -6.645 6.181 8.244 635 HG12 VAL 79 1HG1 VAL 79 -6.369 5.238 6.780 636 HG13 VAL 79 3HG1 VAL 79 -7.959 5.933 7.093 637 HG21 VAL 79 3HG2 VAL 79 -6.964 9.433 6.431 638 HG22 VAL 79 2HG2 VAL 79 -7.034 8.691 8.029 639 HG23 VAL 79 1HG2 VAL 79 -8.315 8.382 6.857 640 H VAL 80 H VAL 80 -3.517 5.849 7.720 641 HA VAL 80 HA VAL 80 -3.135 4.229 5.330 642 HB VAL 80 HB VAL 80 -1.265 5.683 5.129 643 HG11 VAL 80 2HG1 VAL 80 -0.648 5.143 8.028 644 HG12 VAL 80 1HG1 VAL 80 -1.288 6.645 7.362 645 HG13 VAL 80 3HG1 VAL 80 0.331 6.106 6.920 646 HG21 VAL 80 3HG2 VAL 80 -0.351 3.136 6.456 647 HG22 VAL 80 2HG2 VAL 80 0.650 4.183 5.450 648 HG23 VAL 80 1HG2 VAL 80 -0.737 3.346 4.746 649 H LEU 81 H LEU 81 -2.947 2.112 5.738 650 HA LEU 81 HA LEU 81 -2.840 1.236 8.537 651 HB2 LEU 81 HB2 LEU 81 -4.689 0.336 7.242 652 HB3 LEU 81 HB3 LEU 81 -3.578 -0.251 6.017 653 HG LEU 81 HG LEU 81 -2.540 -1.649 7.914 654 HD11 LEU 81 2HD1 LEU 81 -5.230 -1.078 9.142 655 HD12 LEU 81 1HD1 LEU 81 -3.676 -0.513 9.758 656 HD13 LEU 81 3HD1 LEU 81 -4.037 -2.241 9.724 657 HD21 LEU 81 3HD2 LEU 81 -4.221 -3.416 7.580 658 HD22 LEU 81 2HD2 LEU 81 -3.722 -2.631 6.083 659 HD23 LEU 81 1HD2 LEU 81 -5.276 -2.226 6.815 660 H GLU 82 H GLU 82 -0.975 0.484 9.316 661 HA GLU 82 HA GLU 82 1.083 -0.339 7.380 662 HB2 GLU 82 HB2 GLU 82 1.631 1.569 8.903 663 HB3 GLU 82 HB3 GLU 82 1.460 0.476 10.269 664 HG2 GLU 82 HG2 GLU 82 3.252 -0.631 8.315 665 HG3 GLU 82 HG3 GLU 82 3.755 0.996 8.769 666 H VAL 83 H VAL 83 1.027 -2.457 7.099 667 HA VAL 83 HA VAL 83 0.903 -4.169 9.496 668 HB VAL 83 HB VAL 83 0.054 -5.976 7.996 669 HG11 VAL 83 2HG1 VAL 83 -1.667 -3.498 8.072 670 HG12 VAL 83 1HG1 VAL 83 -1.482 -4.666 9.381 671 HG13 VAL 83 3HG1 VAL 83 -2.234 -5.154 7.863 672 HG21 VAL 83 3HG2 VAL 83 -0.860 -5.379 5.806 673 HG22 VAL 83 2HG2 VAL 83 0.882 -5.101 5.870 674 HG23 VAL 83 1HG2 VAL 83 -0.234 -3.741 5.988 675 HA PRO 84 HA PRO 84 4.858 -5.970 8.480 676 HB2 PRO 84 HB2 PRO 84 3.511 -8.618 8.571 677 HB3 PRO 84 HB3 PRO 84 4.930 -8.051 9.455 678 HG2 PRO 84 HG2 PRO 84 2.577 -8.322 10.679 679 HG3 PRO 84 HG3 PRO 84 3.659 -6.971 11.067 680 HD2 PRO 84 HD2 PRO 84 1.172 -6.998 9.414 681 HD3 PRO 84 HD3 PRO 84 1.779 -5.750 10.522 682 H VAL 85 H VAL 85 5.936 -6.834 6.673 683 HA VAL 85 HA VAL 85 4.593 -6.482 4.224 684 HB VAL 85 HB VAL 85 7.038 -6.116 4.603 685 HG11 VAL 85 2HG1 VAL 85 7.592 -8.122 5.822 686 HG12 VAL 85 1HG1 VAL 85 8.566 -8.020 4.355 687 HG13 VAL 85 3HG1 VAL 85 7.188 -9.117 4.424 688 HG21 VAL 85 3HG2 VAL 85 6.260 -7.870 2.282 689 HG22 VAL 85 2HG2 VAL 85 7.742 -6.921 2.379 690 HG23 VAL 85 1HG2 VAL 85 6.176 -6.110 2.362 691 H SER 86 H SER 86 5.098 -9.280 6.206 692 HA SER 86 HA SER 86 4.517 -11.241 4.211 693 HB2 SER 86 HB2 SER 86 4.354 -11.466 7.226 694 HB3 SER 86 HB3 SER 86 4.403 -12.809 6.084 695 HG SER 86 HG SER 86 6.431 -10.937 6.709 696 H ALA 87 H ALA 87 2.546 -9.084 5.978 697 HA ALA 87 HA ALA 87 0.335 -10.770 6.508 698 HB1 ALA 87 HB1 ALA 87 0.743 -8.752 7.792 699 HB2 ALA 87 HB2 ALA 87 0.419 -7.768 6.363 700 HB3 ALA 87 HB3 ALA 87 -0.870 -8.737 7.077 701 HA PRO 88 HA PRO 88 -1.908 -8.745 2.790 702 HB2 PRO 88 HB2 PRO 88 -0.521 -7.499 0.852 703 HB3 PRO 88 HB3 PRO 88 -1.016 -6.669 2.332 704 HG2 PRO 88 HG2 PRO 88 1.638 -7.873 1.635 705 HG3 PRO 88 HG3 PRO 88 1.286 -6.303 2.381 706 HD2 PRO 88 HD2 PRO 88 2.047 -8.478 3.815 707 HD3 PRO 88 HD3 PRO 88 0.976 -7.224 4.468 708 H ILE 89 H ILE 89 0.334 -11.027 2.832 709 HA ILE 89 HA ILE 89 0.415 -11.715 0.030 710 HB ILE 89 HB ILE 89 1.405 -13.186 2.476 711 HG12 ILE 89 2HG1 ILE 89 2.907 -11.762 0.265 712 HG13 ILE 89 3HG1 ILE 89 2.569 -11.066 1.845 713 HG21 ILE 89 2HG2 ILE 89 2.569 -14.679 0.922 714 HG22 ILE 89 1HG2 ILE 89 1.778 -13.880 -0.435 715 HG23 ILE 89 3HG2 ILE 89 0.819 -14.784 0.734 716 HD11 ILE 89 3HD1 ILE 89 4.835 -11.901 1.737 717 HD12 ILE 89 2HD1 ILE 89 4.248 -13.505 1.301 718 HD13 ILE 89 1HD1 ILE 89 3.892 -12.839 2.895 719 H LYS 90 H LYS 90 -0.852 -13.383 2.951 720 HA LYS 90 HA LYS 90 -2.614 -14.931 1.196 721 HB2 LYS 90 HB2 LYS 90 -2.068 -15.227 4.155 722 HB3 LYS 90 HB3 LYS 90 -3.082 -16.294 3.195 723 HG2 LYS 90 HG2 LYS 90 -1.067 -16.809 1.800 724 HG3 LYS 90 HG3 LYS 90 -0.110 -15.902 2.974 725 HD2 LYS 90 HD2 LYS 90 -0.871 -17.409 4.750 726 HD3 LYS 90 HD3 LYS 90 -1.806 -18.325 3.567 727 HE2 LYS 90 HE2 LYS 90 0.351 -18.718 2.333 728 HE3 LYS 90 HE3 LYS 90 1.184 -18.023 3.725 729 HZ1 LYS 90 HZ1 LYS 90 1.165 -20.388 3.938 730 HZ2 LYS 90 HZ2 LYS 90 -0.511 -20.460 3.696 731 HZ3 LYS 90 HZ3 LYS 90 0.111 -19.756 5.108 732 H ASP 91 H ASP 91 -2.723 -12.146 3.077 733 HA ASP 91 HA ASP 91 -5.652 -12.349 3.303 734 HB2 ASP 91 HB2 ASP 91 -3.695 -11.229 5.307 735 HB3 ASP 91 HB3 ASP 91 -5.412 -10.847 5.347 736 H ALA 92 H ALA 92 -4.260 -11.255 1.118 737 HA ALA 92 HA ALA 92 -3.821 -8.507 1.172 738 HB1 ALA 92 HB1 ALA 92 -3.220 -9.965 -0.712 739 HB2 ALA 92 HB2 ALA 92 -4.927 -10.117 -1.125 740 HB3 ALA 92 HB3 ALA 92 -4.131 -8.547 -1.231 741 H GLU 93 H GLU 93 -6.828 -10.275 0.493 742 HA GLU 93 HA GLU 93 -8.416 -7.997 -0.035 743 HB2 GLU 93 HB2 GLU 93 -9.242 -10.723 0.987 744 HB3 GLU 93 HB3 GLU 93 -10.333 -9.515 0.326 745 HG2 GLU 93 HG2 GLU 93 -9.405 -9.724 -1.838 746 HG3 GLU 93 HG3 GLU 93 -8.042 -10.668 -1.237 747 H LYS 94 H LYS 94 -7.517 -9.643 2.917 748 HA LYS 94 HA LYS 94 -9.462 -8.476 4.622 749 HB2 LYS 94 HB2 LYS 94 -6.693 -9.366 5.438 750 HB3 LYS 94 HB3 LYS 94 -8.132 -9.290 6.441 751 HG2 LYS 94 HG2 LYS 94 -7.836 -11.141 4.093 752 HG3 LYS 94 HG3 LYS 94 -7.425 -11.581 5.749 753 HD2 LYS 94 HD2 LYS 94 -9.757 -11.079 6.412 754 HD3 LYS 94 HD3 LYS 94 -10.139 -10.766 4.717 755 HE2 LYS 94 HE2 LYS 94 -10.764 -13.041 5.391 756 HE3 LYS 94 HE3 LYS 94 -9.528 -13.041 4.133 757 HZ1 LYS 94 HZ1 LYS 94 -9.044 -13.440 7.038 758 HZ2 LYS 94 HZ2 LYS 94 -7.848 -13.452 5.834 759 HZ3 LYS 94 HZ3 LYS 94 -9.043 -14.659 5.862 760 H VAL 95 H VAL 95 -6.159 -7.659 3.727 761 HA VAL 95 HA VAL 95 -5.780 -5.447 5.403 762 HB VAL 95 HB VAL 95 -4.593 -5.955 2.664 763 HG11 VAL 95 2HG1 VAL 95 -4.275 -3.653 3.331 764 HG12 VAL 95 1HG1 VAL 95 -2.748 -4.526 3.442 765 HG13 VAL 95 3HG1 VAL 95 -3.665 -4.163 4.904 766 HG21 VAL 95 3HG2 VAL 95 -2.702 -6.917 3.888 767 HG22 VAL 95 2HG2 VAL 95 -4.194 -7.811 4.184 768 HG23 VAL 95 1HG2 VAL 95 -3.573 -6.696 5.405 769 H ILE 96 H ILE 96 -7.042 -5.694 2.107 770 HA ILE 96 HA ILE 96 -7.349 -2.942 1.621 771 HB ILE 96 HB ILE 96 -8.920 -5.267 0.491 772 HG12 ILE 96 2HG1 ILE 96 -6.554 -3.766 -0.649 773 HG13 ILE 96 3HG1 ILE 96 -6.462 -5.346 0.118 774 HG21 ILE 96 2HG2 ILE 96 -9.473 -3.753 -1.361 775 HG22 ILE 96 1HG2 ILE 96 -8.677 -2.430 -0.509 776 HG23 ILE 96 3HG2 ILE 96 -10.124 -3.176 0.172 777 HD11 ILE 96 3HD1 ILE 96 -6.443 -5.558 -2.288 778 HD12 ILE 96 2HD1 ILE 96 -7.969 -4.680 -2.398 779 HD13 ILE 96 1HD1 ILE 96 -7.917 -6.262 -1.622 780 H ASN 97 H ASN 97 -9.621 -5.359 2.880 781 HA ASN 97 HA ASN 97 -11.817 -3.601 3.151 782 HB2 ASN 97 HB2 ASN 97 -11.143 -6.246 4.414 783 HB3 ASN 97 HB3 ASN 97 -12.620 -5.378 4.824 784 HD21 ASN 97 1HD2 ASN 97 -12.344 -7.959 3.593 785 HD22 ASN 97 2HD2 ASN 97 -13.130 -7.862 2.052 786 H ALA 98 H ALA 98 -9.219 -4.527 5.346 787 HA ALA 98 HA ALA 98 -10.307 -3.250 7.634 788 HB1 ALA 98 HB1 ALA 98 -7.429 -3.954 7.051 789 HB2 ALA 98 HB2 ALA 98 -8.104 -3.553 8.631 790 HB3 ALA 98 HB3 ALA 98 -8.619 -5.021 7.798 791 H ALA 99 H ALA 99 -8.121 -2.232 5.075 792 HA ALA 99 HA ALA 99 -7.368 0.255 6.139 793 HB1 ALA 99 HB1 ALA 99 -6.818 0.866 3.828 794 HB2 ALA 99 HB2 ALA 99 -6.231 -0.746 4.232 795 HB3 ALA 99 HB3 ALA 99 -7.681 -0.559 3.248 796 H LEU 100 H LEU 100 -10.177 -0.763 4.257 797 HA LEU 100 HA LEU 100 -11.251 1.857 3.928 798 HB2 LEU 100 HB2 LEU 100 -12.697 -0.795 3.857 799 HB3 LEU 100 HB3 LEU 100 -13.312 0.731 3.260 800 HG LEU 100 HG LEU 100 -10.940 -0.756 2.134 801 HD11 LEU 100 2HD1 LEU 100 -12.402 -1.128 0.202 802 HD12 LEU 100 1HD1 LEU 100 -13.735 -0.372 1.072 803 HD13 LEU 100 3HD1 LEU 100 -13.040 -1.882 1.663 804 HD21 LEU 100 3HD2 LEU 100 -12.317 1.760 1.200 805 HD22 LEU 100 2HD2 LEU 100 -11.033 0.909 0.341 806 HD23 LEU 100 1HD2 LEU 100 -10.701 1.658 1.904 807 H ALA 101 H ALA 101 -11.484 -0.598 6.421 808 HA ALA 101 HA ALA 101 -13.692 0.531 7.806 809 HB1 ALA 101 HB1 ALA 101 -12.961 -1.775 8.169 810 HB2 ALA 101 HB2 ALA 101 -11.454 -1.188 8.875 811 HB3 ALA 101 HB3 ALA 101 -12.990 -0.865 9.680 812 H LEU 102 H LEU 102 -10.255 1.168 7.815 813 HA LEU 102 HA LEU 102 -10.133 2.730 10.158 814 HB2 LEU 102 HB2 LEU 102 -8.459 2.897 7.649 815 HB3 LEU 102 HB3 LEU 102 -8.079 3.693 9.162 816 HG LEU 102 HG LEU 102 -8.202 0.710 8.716 817 HD11 LEU 102 2HD1 LEU 102 -5.793 0.796 9.072 818 HD12 LEU 102 1HD1 LEU 102 -5.869 2.551 9.228 819 HD13 LEU 102 3HD1 LEU 102 -6.263 1.785 7.688 820 HD21 LEU 102 3HD2 LEU 102 -7.327 0.551 11.003 821 HD22 LEU 102 2HD2 LEU 102 -8.927 1.293 10.965 822 HD23 LEU 102 1HD2 LEU 102 -7.494 2.297 11.183 823 H ILE 103 H ILE 103 -10.938 3.513 6.819 824 HA ILE 103 HA ILE 103 -11.337 6.324 7.516 825 HB ILE 103 HB ILE 103 -11.718 6.730 5.171 826 HG12 ILE 103 2HG1 ILE 103 -11.570 3.729 4.791 827 HG13 ILE 103 3HG1 ILE 103 -13.036 4.697 4.682 828 HG21 ILE 103 2HG2 ILE 103 -9.402 6.576 5.845 829 HG22 ILE 103 1HG2 ILE 103 -9.594 5.934 4.212 830 HG23 ILE 103 3HG2 ILE 103 -9.415 4.832 5.578 831 HD11 ILE 103 3HD1 ILE 103 -12.125 5.871 2.755 832 HD12 ILE 103 2HD1 ILE 103 -12.169 4.129 2.485 833 HD13 ILE 103 1HD1 ILE 103 -10.642 4.924 2.872 834 H ASP 104 H ASP 104 -12.990 3.602 7.928 835 HA ASP 104 HA ASP 104 -15.119 2.883 8.044 836 HB2 ASP 104 HB2 ASP 104 -15.434 4.869 9.456 837 HB3 ASP 104 HB3 ASP 104 -15.832 5.820 8.027 838 H GLU 105 H GLU 105 -15.315 1.827 6.201 839 HA GLU 105 HA GLU 105 -15.185 2.675 3.641 840 HB2 GLU 105 HB2 GLU 105 -16.565 0.652 3.052 841 HB3 GLU 105 HB3 GLU 105 -15.166 0.355 4.072 842 HG2 GLU 105 HG2 GLU 105 -16.688 0.361 6.041 843 HG3 GLU 105 HG3 GLU 105 -18.046 0.465 4.920 844 H LYS 106 H LYS 106 -16.258 3.880 2.348 845 HA LYS 106 HA LYS 106 -19.120 4.073 2.342 846 HB2 LYS 106 HB2 LYS 106 -19.154 6.545 2.677 847 HB3 LYS 106 HB3 LYS 106 -18.702 5.652 4.121 848 HG2 LYS 106 HG2 LYS 106 -16.331 6.160 3.655 849 HG3 LYS 106 HG3 LYS 106 -16.837 7.123 2.266 850 HD2 LYS 106 HD2 LYS 106 -16.412 8.556 4.182 851 HD3 LYS 106 HD3 LYS 106 -18.126 8.582 3.767 852 HE2 LYS 106 HE2 LYS 106 -18.652 7.100 5.576 853 HE3 LYS 106 HE3 LYS 106 -16.941 6.833 5.917 854 HZ1 LYS 106 HZ1 LYS 106 -16.724 9.119 6.585 855 HZ2 LYS 106 HZ2 LYS 106 -17.985 8.407 7.467 856 HZ3 LYS 106 HZ3 LYS 106 -18.336 9.447 6.170 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -16.661 -0.782 -4.469 2 H2 MET 1 H2 MET 1 -15.716 -1.926 -3.639 3 H3 MET 1 H3 MET 1 -17.127 -2.413 -4.437 4 HA MET 1 HA MET 1 -15.044 -2.973 -5.608 5 HB2 MET 1 HB2 MET 1 -17.167 -1.262 -6.864 6 HB3 MET 1 HB3 MET 1 -15.835 -1.882 -7.826 7 HG2 MET 1 HG2 MET 1 -17.668 -3.617 -6.197 8 HG3 MET 1 HG3 MET 1 -17.920 -3.241 -7.903 9 HE1 MET 1 HE1 MET 1 -16.722 -6.984 -7.950 10 HE2 MET 1 HE2 MET 1 -17.718 -6.218 -6.711 11 HE3 MET 1 HE3 MET 1 -18.001 -5.862 -8.416 12 H LYS 2 H LYS 2 -15.746 0.296 -6.748 13 HA LYS 2 HA LYS 2 -12.918 0.548 -7.292 14 HB2 LYS 2 HB2 LYS 2 -15.263 2.271 -8.076 15 HB3 LYS 2 HB3 LYS 2 -13.604 2.574 -8.570 16 HG2 LYS 2 HG2 LYS 2 -13.570 0.373 -9.690 17 HG3 LYS 2 HG3 LYS 2 -15.265 0.155 -9.250 18 HD2 LYS 2 HD2 LYS 2 -14.195 2.420 -10.930 19 HD3 LYS 2 HD3 LYS 2 -14.960 0.964 -11.567 20 HE2 LYS 2 HE2 LYS 2 -16.294 2.855 -9.639 21 HE3 LYS 2 HE3 LYS 2 -16.467 2.959 -11.390 22 HZ1 LYS 2 HZ1 LYS 2 -18.300 1.757 -10.355 23 HZ2 LYS 2 HZ2 LYS 2 -17.221 0.607 -9.732 24 HZ3 LYS 2 HZ3 LYS 2 -17.426 0.758 -11.406 25 H ARG 3 H ARG 3 -11.593 1.422 -5.931 26 HA ARG 3 HA ARG 3 -12.127 4.076 -4.913 27 HB2 ARG 3 HB2 ARG 3 -12.737 2.238 -3.169 28 HB3 ARG 3 HB3 ARG 3 -11.002 2.028 -3.021 29 HG2 ARG 3 HG2 ARG 3 -11.701 3.500 -1.287 30 HG3 ARG 3 HG3 ARG 3 -10.821 4.459 -2.479 31 HD2 ARG 3 HD2 ARG 3 -12.987 5.136 -3.467 32 HD3 ARG 3 HD3 ARG 3 -13.818 4.255 -2.187 33 HE ARG 3 HE ARG 3 -12.004 6.505 -1.604 34 HH11 ARG 3 2HH1 ARG 3 -15.086 4.896 -1.273 35 HH12 ARG 3 1HH1 ARG 3 -15.700 6.018 -0.099 36 HH21 ARG 3 2HH2 ARG 3 -12.794 8.018 -0.079 37 HH22 ARG 3 1HH2 ARG 3 -14.396 7.795 0.589 38 H LYS 4 H LYS 4 -10.193 5.259 -4.613 39 HA LYS 4 HA LYS 4 -7.872 4.158 -5.963 40 HB2 LYS 4 HB2 LYS 4 -8.191 6.846 -4.626 41 HB3 LYS 4 HB3 LYS 4 -6.935 6.380 -5.760 42 HG2 LYS 4 HG2 LYS 4 -9.868 6.661 -6.372 43 HG3 LYS 4 HG3 LYS 4 -8.589 7.781 -6.833 44 HD2 LYS 4 HD2 LYS 4 -7.539 5.911 -8.129 45 HD3 LYS 4 HD3 LYS 4 -8.982 4.951 -7.793 46 HE2 LYS 4 HE2 LYS 4 -10.355 6.695 -8.871 47 HE3 LYS 4 HE3 LYS 4 -8.886 7.587 -9.259 48 HZ1 LYS 4 HZ1 LYS 4 -8.166 5.526 -10.489 49 HZ2 LYS 4 HZ2 LYS 4 -9.447 6.394 -11.175 50 HZ3 LYS 4 HZ3 LYS 4 -9.761 4.963 -10.317 51 H ILE 5 H ILE 5 -6.222 3.173 -4.963 52 HA ILE 5 HA ILE 5 -5.748 3.794 -2.122 53 HB ILE 5 HB ILE 5 -5.706 1.017 -3.329 54 HG12 ILE 5 2HG1 ILE 5 -7.575 2.226 -1.275 55 HG13 ILE 5 3HG1 ILE 5 -7.986 1.899 -2.956 56 HG21 ILE 5 2HG2 ILE 5 -3.982 1.285 -1.638 57 HG22 ILE 5 1HG2 ILE 5 -5.280 0.258 -1.029 58 HG23 ILE 5 3HG2 ILE 5 -5.165 1.938 -0.504 59 HD11 ILE 5 3HD1 ILE 5 -7.658 -0.486 -2.570 60 HD12 ILE 5 2HD1 ILE 5 -8.870 0.189 -1.481 61 HD13 ILE 5 1HD1 ILE 5 -7.246 -0.157 -0.887 62 H ILE 6 H ILE 6 -3.672 4.231 -1.659 63 HA ILE 6 HA ILE 6 -1.635 3.345 -3.589 64 HB ILE 6 HB ILE 6 -0.154 5.124 -2.759 65 HG12 ILE 6 2HG1 ILE 6 -1.346 5.361 -0.513 66 HG13 ILE 6 3HG1 ILE 6 -0.818 6.846 -1.290 67 HG21 ILE 6 2HG2 ILE 6 -2.796 6.097 -3.824 68 HG22 ILE 6 1HG2 ILE 6 -1.432 5.493 -4.767 69 HG23 ILE 6 3HG2 ILE 6 -1.280 7.001 -3.863 70 HD11 ILE 6 3HD1 ILE 6 -3.100 7.249 -2.057 71 HD12 ILE 6 2HD1 ILE 6 -3.011 7.099 -0.302 72 HD13 ILE 6 1HD1 ILE 6 -3.624 5.760 -1.272 73 H ALA 7 H ALA 7 0.089 2.179 -2.851 74 HA ALA 7 HA ALA 7 0.190 1.625 0.026 75 HB1 ALA 7 HB1 ALA 7 -1.287 -0.065 -0.956 76 HB2 ALA 7 HB2 ALA 7 -0.008 -0.529 -2.078 77 HB3 ALA 7 HB3 ALA 7 0.204 -0.780 -0.345 78 H VAL 8 H VAL 8 2.190 1.269 0.795 79 HA VAL 8 HA VAL 8 4.365 1.101 -1.182 80 HB VAL 8 HB VAL 8 4.484 2.181 1.641 81 HG11 VAL 8 2HG1 VAL 8 6.619 2.029 -0.487 82 HG12 VAL 8 1HG1 VAL 8 6.567 1.087 1.001 83 HG13 VAL 8 3HG1 VAL 8 6.780 2.834 1.074 84 HG21 VAL 8 3HG2 VAL 8 3.319 3.678 0.097 85 HG22 VAL 8 2HG2 VAL 8 4.691 3.607 -1.010 86 HG23 VAL 8 1HG2 VAL 8 4.878 4.343 0.581 87 H THR 9 H THR 9 5.124 -0.860 -1.355 88 HA THR 9 HA THR 9 5.134 -2.635 0.979 89 HB THR 9 HB THR 9 5.709 -4.399 -0.789 90 HG1 THR 9 HG1 THR 9 6.040 -2.413 -2.341 91 HG21 THR 9 3HG2 THR 9 3.487 -4.215 0.216 92 HG22 THR 9 1HG2 THR 9 3.365 -4.633 -1.494 93 HG23 THR 9 2HG2 THR 9 3.045 -2.982 -0.964 94 H ALA 10 H ALA 10 6.978 -2.657 2.091 95 HA ALA 10 HA ALA 10 9.490 -2.302 0.594 96 HB1 ALA 10 HB1 ALA 10 8.907 -0.201 1.675 97 HB2 ALA 10 HB2 ALA 10 8.803 -1.021 3.234 98 HB3 ALA 10 HB3 ALA 10 10.352 -0.907 2.399 99 H CYS 11 H CYS 11 11.238 -3.456 1.283 100 HA CYS 11 HA CYS 11 11.335 -4.697 3.861 101 HB2 CYS 11 HB2 CYS 11 9.903 -6.302 2.592 102 HB3 CYS 11 HB3 CYS 11 11.215 -6.509 1.437 103 HG CYS 11 HG CYS 11 10.709 -8.040 4.303 104 H ALA 12 H ALA 12 13.412 -4.882 4.474 105 HA ALA 12 HA ALA 12 15.451 -4.470 2.380 106 HB1 ALA 12 HB1 ALA 12 16.829 -3.403 4.075 107 HB2 ALA 12 HB2 ALA 12 15.259 -2.609 3.957 108 HB3 ALA 12 HB3 ALA 12 15.591 -3.709 5.293 109 H THR 13 H THR 13 14.313 -6.593 4.777 110 HA THR 13 HA THR 13 16.846 -7.949 5.139 111 HB THR 13 HB THR 13 15.410 -9.570 6.467 112 HG1 THR 13 HG1 THR 13 13.425 -7.571 6.510 113 HG21 THR 13 3HG2 THR 13 16.702 -7.775 7.530 114 HG22 THR 13 1HG2 THR 13 15.171 -8.046 8.366 115 HG23 THR 13 2HG2 THR 13 15.355 -6.662 7.286 116 H GLY 14 H GLY 14 13.641 -8.764 3.824 117 HA2 GLY 14 HA1 GLY 14 14.938 -10.866 2.199 118 HA3 GLY 14 HA2 GLY 14 13.261 -10.917 2.731 119 H VAL 15 H VAL 15 15.471 -9.769 0.374 120 HA VAL 15 HA VAL 15 14.097 -7.615 -0.730 121 HB VAL 15 HB VAL 15 15.806 -9.588 -2.251 122 HG11 VAL 15 2HG1 VAL 15 16.299 -7.689 -3.704 123 HG12 VAL 15 1HG1 VAL 15 15.214 -6.674 -2.753 124 HG13 VAL 15 3HG1 VAL 15 14.569 -8.035 -3.671 125 HG21 VAL 15 3HG2 VAL 15 16.993 -8.841 -0.275 126 HG22 VAL 15 2HG2 VAL 15 16.619 -7.160 -0.657 127 HG23 VAL 15 1HG2 VAL 15 17.684 -8.087 -1.713 128 H ALA 16 H ALA 16 13.831 -11.075 -1.471 129 HA ALA 16 HA ALA 16 12.081 -10.889 -3.650 130 HB1 ALA 16 HB1 ALA 16 13.260 -12.945 -3.043 131 HB2 ALA 16 HB2 ALA 16 12.260 -13.092 -1.599 132 HB3 ALA 16 HB3 ALA 16 11.524 -13.218 -3.197 133 H HIS 17 H HIS 17 11.494 -10.527 -0.242 134 HA HIS 17 HA HIS 17 8.701 -11.094 -0.261 135 HB2 HIS 17 HB2 HIS 17 10.357 -9.436 1.655 136 HB3 HIS 17 HB3 HIS 17 8.665 -9.840 1.909 137 HD1 HIS 17 HD1 HIS 17 10.171 -10.794 4.135 138 HD2 HIS 17 HD2 HIS 17 10.123 -12.989 0.598 139 HE1 HIS 17 HE1 HIS 17 10.816 -13.137 4.778 140 HE2 HIS 17 HE2 HIS 17 11.015 -14.380 2.595 141 H THR 18 H THR 18 10.633 -8.219 -0.796 142 HA THR 18 HA THR 18 8.620 -6.281 -0.655 143 HB THR 18 HB THR 18 10.965 -6.130 -2.543 144 HG1 THR 18 HG1 THR 18 12.141 -5.394 -0.655 145 HG21 THR 18 3HG2 THR 18 9.431 -4.249 -2.603 146 HG22 THR 18 1HG2 THR 18 10.940 -3.761 -1.833 147 HG23 THR 18 2HG2 THR 18 9.516 -4.095 -0.848 148 H TYR 19 H TYR 19 9.860 -8.127 -3.431 149 HA TYR 19 HA TYR 19 8.109 -6.919 -5.322 150 HB2 TYR 19 HB2 TYR 19 9.486 -9.601 -5.534 151 HB3 TYR 19 HB3 TYR 19 8.856 -8.633 -6.861 152 HD1 TYR 19 HD1 TYR 19 9.926 -6.264 -7.144 153 HD2 TYR 19 HD2 TYR 19 11.708 -9.447 -4.961 154 HE1 TYR 19 HE1 TYR 19 12.130 -5.198 -7.403 155 HE2 TYR 19 HE2 TYR 19 13.914 -8.397 -5.209 156 HH TYR 19 HH TYR 19 15.062 -6.832 -6.607 157 H MET 20 H MET 20 7.996 -9.794 -3.325 158 HA MET 20 HA MET 20 5.793 -11.037 -4.588 159 HB2 MET 20 HB2 MET 20 7.375 -12.249 -3.156 160 HB3 MET 20 HB3 MET 20 6.804 -11.346 -1.760 161 HG2 MET 20 HG2 MET 20 4.581 -12.325 -2.042 162 HG3 MET 20 HG3 MET 20 5.168 -13.241 -3.428 163 HE1 MET 20 HE1 MET 20 8.114 -14.033 -2.452 164 HE2 MET 20 HE2 MET 20 7.810 -15.620 -1.744 165 HE3 MET 20 HE3 MET 20 7.023 -15.164 -3.254 166 H ALA 21 H ALA 21 6.032 -8.931 -1.745 167 HA ALA 21 HA ALA 21 3.370 -9.125 -0.911 168 HB1 ALA 21 HB1 ALA 21 5.157 -8.161 0.460 169 HB2 ALA 21 HB2 ALA 21 5.225 -6.766 -0.619 170 HB3 ALA 21 HB3 ALA 21 3.771 -7.075 0.332 171 H ALA 22 H ALA 22 4.898 -6.870 -3.175 172 HA ALA 22 HA ALA 22 2.648 -5.213 -3.556 173 HB1 ALA 22 HB1 ALA 22 3.832 -4.369 -5.510 174 HB2 ALA 22 HB2 ALA 22 4.931 -4.542 -4.141 175 HB3 ALA 22 HB3 ALA 22 4.949 -5.733 -5.443 176 H GLN 23 H GLN 23 3.882 -7.931 -5.517 177 HA GLN 23 HA GLN 23 1.878 -7.707 -7.511 178 HB2 GLN 23 HB2 GLN 23 2.675 -9.889 -8.297 179 HB3 GLN 23 HB3 GLN 23 4.017 -8.809 -7.951 180 HG2 GLN 23 HG2 GLN 23 4.272 -9.940 -5.749 181 HG3 GLN 23 HG3 GLN 23 3.043 -11.096 -6.262 182 HE21 GLN 23 1HE2 GLN 23 6.284 -9.955 -6.736 183 HE22 GLN 23 2HE2 GLN 23 6.845 -11.306 -7.661 184 H ALA 24 H ALA 24 2.088 -9.560 -4.524 185 HA ALA 24 HA ALA 24 -0.236 -11.142 -4.999 186 HB1 ALA 24 HB1 ALA 24 1.112 -10.422 -2.395 187 HB2 ALA 24 HB2 ALA 24 -0.085 -11.698 -2.620 188 HB3 ALA 24 HB3 ALA 24 1.489 -11.820 -3.403 189 H LEU 25 H LEU 25 0.414 -8.134 -3.289 190 HA LEU 25 HA LEU 25 -2.173 -7.632 -2.329 191 HB2 LEU 25 HB2 LEU 25 -0.175 -6.451 -1.566 192 HB3 LEU 25 HB3 LEU 25 0.012 -5.715 -3.144 193 HG LEU 25 HG LEU 25 -2.065 -4.456 -2.813 194 HD11 LEU 25 2HD1 LEU 25 -2.078 -5.697 -0.063 195 HD12 LEU 25 1HD1 LEU 25 -3.222 -6.055 -1.357 196 HD13 LEU 25 3HD1 LEU 25 -3.171 -4.442 -0.645 197 HD21 LEU 25 3HD2 LEU 25 -1.203 -2.916 -1.176 198 HD22 LEU 25 2HD2 LEU 25 0.138 -3.565 -2.125 199 HD23 LEU 25 1HD2 LEU 25 -0.165 -4.168 -0.493 200 H LYS 26 H LYS 26 -0.618 -6.861 -5.405 201 HA LYS 26 HA LYS 26 -2.570 -5.273 -6.577 202 HB2 LYS 26 HB2 LYS 26 -0.678 -7.282 -7.790 203 HB3 LYS 26 HB3 LYS 26 -1.721 -6.264 -8.764 204 HG2 LYS 26 HG2 LYS 26 0.346 -5.247 -6.831 205 HG3 LYS 26 HG3 LYS 26 0.581 -5.418 -8.570 206 HD2 LYS 26 HD2 LYS 26 -1.470 -3.662 -7.222 207 HD3 LYS 26 HD3 LYS 26 0.031 -3.115 -7.973 208 HE2 LYS 26 HE2 LYS 26 -2.265 -4.481 -9.376 209 HE3 LYS 26 HE3 LYS 26 -1.895 -2.760 -9.437 210 HZ1 LYS 26 HZ1 LYS 26 0.225 -3.305 -10.496 211 HZ2 LYS 26 HZ2 LYS 26 -1.087 -3.879 -11.403 212 HZ3 LYS 26 HZ3 LYS 26 -0.171 -4.956 -10.469 213 H LYS 27 H LYS 27 -2.344 -8.810 -6.459 214 HA LYS 27 HA LYS 27 -4.524 -9.374 -8.132 215 HB2 LYS 27 HB2 LYS 27 -3.175 -10.915 -5.941 216 HB3 LYS 27 HB3 LYS 27 -4.594 -11.558 -6.753 217 HG2 LYS 27 HG2 LYS 27 -1.970 -10.830 -8.036 218 HG3 LYS 27 HG3 LYS 27 -2.597 -12.456 -7.752 219 HD2 LYS 27 HD2 LYS 27 -4.560 -11.842 -9.192 220 HD3 LYS 27 HD3 LYS 27 -3.708 -10.355 -9.604 221 HE2 LYS 27 HE2 LYS 27 -2.817 -13.180 -10.159 222 HE3 LYS 27 HE3 LYS 27 -3.342 -11.982 -11.338 223 HZ1 LYS 27 HZ1 LYS 27 -0.846 -12.023 -9.754 224 HZ2 LYS 27 HZ2 LYS 27 -1.391 -10.612 -10.515 225 HZ3 LYS 27 HZ3 LYS 27 -1.024 -11.986 -11.441 226 H GLY 28 H GLY 28 -4.356 -9.058 -4.599 227 HA2 GLY 28 HA1 GLY 28 -7.074 -9.636 -4.111 228 HA3 GLY 28 HA2 GLY 28 -6.002 -8.765 -3.024 229 H ALA 29 H ALA 29 -5.393 -6.586 -4.697 230 HA ALA 29 HA ALA 29 -7.595 -4.904 -4.133 231 HB1 ALA 29 HB1 ALA 29 -5.186 -4.404 -5.871 232 HB2 ALA 29 HB2 ALA 29 -6.294 -3.171 -5.270 233 HB3 ALA 29 HB3 ALA 29 -5.306 -4.095 -4.140 234 H LYS 30 H LYS 30 -6.291 -6.126 -7.216 235 HA LYS 30 HA LYS 30 -8.230 -4.786 -8.791 236 HB2 LYS 30 HB2 LYS 30 -5.955 -5.675 -9.539 237 HB3 LYS 30 HB3 LYS 30 -6.711 -7.259 -9.619 238 HG2 LYS 30 HG2 LYS 30 -6.632 -6.227 -11.811 239 HG3 LYS 30 HG3 LYS 30 -8.302 -6.421 -11.275 240 HD2 LYS 30 HD2 LYS 30 -8.415 -4.083 -10.659 241 HD3 LYS 30 HD3 LYS 30 -6.709 -3.865 -11.048 242 HE2 LYS 30 HE2 LYS 30 -8.813 -4.699 -13.037 243 HE3 LYS 30 HE3 LYS 30 -8.285 -3.036 -12.795 244 HZ1 LYS 30 HZ1 LYS 30 -7.150 -4.077 -14.662 245 HZ2 LYS 30 HZ2 LYS 30 -6.545 -5.289 -13.647 246 HZ3 LYS 30 HZ3 LYS 30 -6.050 -3.680 -13.435 247 H LYS 31 H LYS 31 -8.193 -7.829 -7.110 248 HA LYS 31 HA LYS 31 -10.401 -9.033 -8.428 249 HB2 LYS 31 HB2 LYS 31 -8.768 -10.220 -6.913 250 HB3 LYS 31 HB3 LYS 31 -9.570 -9.447 -5.550 251 HG2 LYS 31 HG2 LYS 31 -11.715 -10.507 -6.437 252 HG3 LYS 31 HG3 LYS 31 -10.659 -11.499 -7.443 253 HD2 LYS 31 HD2 LYS 31 -10.620 -11.330 -4.430 254 HD3 LYS 31 HD3 LYS 31 -11.246 -12.668 -5.392 255 HE2 LYS 31 HE2 LYS 31 -9.000 -13.063 -6.291 256 HE3 LYS 31 HE3 LYS 31 -8.379 -11.729 -5.319 257 HZ1 LYS 31 HZ1 LYS 31 -9.650 -14.192 -4.246 258 HZ2 LYS 31 HZ2 LYS 31 -9.021 -12.918 -3.315 259 HZ3 LYS 31 HZ3 LYS 31 -7.987 -13.876 -4.262 260 H MET 32 H MET 32 -10.083 -6.780 -5.762 261 HA MET 32 HA MET 32 -12.898 -6.920 -5.109 262 HB2 MET 32 HB2 MET 32 -10.627 -5.255 -4.036 263 HB3 MET 32 HB3 MET 32 -12.288 -5.062 -3.496 264 HG2 MET 32 HG2 MET 32 -10.672 -7.594 -3.304 265 HG3 MET 32 HG3 MET 32 -10.981 -6.466 -1.982 266 HE1 MET 32 HE1 MET 32 -11.579 -9.598 -1.854 267 HE2 MET 32 HE2 MET 32 -11.911 -8.511 -0.505 268 HE3 MET 32 HE3 MET 32 -13.160 -9.618 -1.074 269 H GLY 33 H GLY 33 -11.096 -5.363 -7.423 270 HA2 GLY 33 HA1 GLY 33 -12.051 -4.172 -9.179 271 HA3 GLY 33 HA2 GLY 33 -13.465 -3.879 -8.185 272 H ASN 34 H ASN 34 -10.385 -3.131 -6.801 273 HA ASN 34 HA ASN 34 -11.007 -0.289 -7.215 274 HB2 ASN 34 HB2 ASN 34 -9.615 0.135 -5.183 275 HB3 ASN 34 HB3 ASN 34 -11.067 -0.804 -4.878 276 HD21 ASN 34 1HD2 ASN 34 -10.896 -2.925 -4.266 277 HD22 ASN 34 2HD2 ASN 34 -9.400 -3.640 -3.782 278 H LEU 35 H LEU 35 -8.968 1.117 -7.009 279 HA LEU 35 HA LEU 35 -6.988 -0.012 -8.872 280 HB2 LEU 35 HB2 LEU 35 -7.989 2.819 -8.563 281 HB3 LEU 35 HB3 LEU 35 -6.582 2.397 -9.517 282 HG LEU 35 HG LEU 35 -8.342 2.650 -11.054 283 HD11 LEU 35 2HD1 LEU 35 -8.067 -0.299 -10.502 284 HD12 LEU 35 1HD1 LEU 35 -6.963 0.688 -11.460 285 HD13 LEU 35 3HD1 LEU 35 -8.617 0.429 -12.013 286 HD21 LEU 35 3HD2 LEU 35 -10.507 1.539 -10.871 287 HD22 LEU 35 2HD2 LEU 35 -10.214 2.595 -9.489 288 HD23 LEU 35 1HD2 LEU 35 -10.031 0.849 -9.320 289 H ILE 36 H ILE 36 -5.057 -0.321 -8.023 290 HA ILE 36 HA ILE 36 -4.295 1.296 -5.687 291 HB ILE 36 HB ILE 36 -4.903 -1.050 -5.105 292 HG12 ILE 36 2HG1 ILE 36 -1.981 -0.394 -4.689 293 HG13 ILE 36 3HG1 ILE 36 -3.305 0.301 -3.762 294 HG21 ILE 36 2HG2 ILE 36 -4.154 -2.166 -7.131 295 HG22 ILE 36 1HG2 ILE 36 -3.373 -2.867 -5.714 296 HG23 ILE 36 3HG2 ILE 36 -2.480 -1.758 -6.755 297 HD11 ILE 36 3HD1 ILE 36 -2.200 -1.505 -2.561 298 HD12 ILE 36 2HD1 ILE 36 -2.592 -2.619 -3.869 299 HD13 ILE 36 1HD1 ILE 36 -3.883 -1.896 -2.910 300 H LYS 37 H LYS 37 -2.247 2.025 -5.550 301 HA LYS 37 HA LYS 37 -0.418 1.406 -7.781 302 HB2 LYS 37 HB2 LYS 37 -1.441 3.724 -7.828 303 HB3 LYS 37 HB3 LYS 37 -0.612 4.047 -6.314 304 HG2 LYS 37 HG2 LYS 37 0.620 4.987 -8.161 305 HG3 LYS 37 HG3 LYS 37 1.543 3.674 -7.426 306 HD2 LYS 37 HD2 LYS 37 0.904 2.173 -9.202 307 HD3 LYS 37 HD3 LYS 37 -0.161 3.396 -9.900 308 HE2 LYS 37 HE2 LYS 37 2.821 3.711 -9.587 309 HE3 LYS 37 HE3 LYS 37 2.030 3.164 -11.065 310 HZ1 LYS 37 HZ1 LYS 37 0.948 5.242 -11.305 311 HZ2 LYS 37 HZ2 LYS 37 2.578 5.583 -10.993 312 HZ3 LYS 37 HZ3 LYS 37 1.429 5.768 -9.767 313 H VAL 38 H VAL 38 1.155 0.153 -6.967 314 HA VAL 38 HA VAL 38 1.839 0.465 -4.138 315 HB VAL 38 HB VAL 38 2.878 -1.781 -4.346 316 HG11 VAL 38 2HG1 VAL 38 0.760 -3.012 -4.447 317 HG12 VAL 38 1HG1 VAL 38 -0.023 -1.587 -5.132 318 HG13 VAL 38 3HG1 VAL 38 0.623 -1.536 -3.491 319 HG21 VAL 38 3HG2 VAL 38 2.343 -3.160 -6.301 320 HG22 VAL 38 2HG2 VAL 38 3.368 -1.790 -6.726 321 HG23 VAL 38 1HG2 VAL 38 1.643 -1.750 -7.097 322 H GLU 39 H GLU 39 3.748 1.100 -3.447 323 HA GLU 39 HA GLU 39 5.895 1.607 -5.372 324 HB2 GLU 39 HB2 GLU 39 5.417 3.464 -3.921 325 HB3 GLU 39 HB3 GLU 39 5.479 2.441 -2.493 326 HG2 GLU 39 HG2 GLU 39 7.840 2.204 -2.668 327 HG3 GLU 39 HG3 GLU 39 7.866 2.962 -4.260 328 H THR 40 H THR 40 7.720 0.429 -5.443 329 HA THR 40 HA THR 40 8.004 -1.784 -3.555 330 HB THR 40 HB THR 40 9.670 -1.303 -6.027 331 HG1 THR 40 HG1 THR 40 7.739 -3.179 -6.367 332 HG21 THR 40 3HG2 THR 40 10.522 -2.963 -4.445 333 HG22 THR 40 1HG2 THR 40 9.978 -3.736 -5.934 334 HG23 THR 40 2HG2 THR 40 8.973 -3.806 -4.486 335 H GLN 41 H GLN 41 8.966 -0.981 -1.756 336 HA GLN 41 HA GLN 41 11.192 0.916 -2.105 337 HB2 GLN 41 HB2 GLN 41 9.169 1.647 -0.835 338 HB3 GLN 41 HB3 GLN 41 9.492 0.384 0.338 339 HG2 GLN 41 HG2 GLN 41 10.237 2.578 1.099 340 HG3 GLN 41 HG3 GLN 41 11.576 1.439 0.948 341 HE21 GLN 41 1HE2 GLN 41 9.963 4.163 -0.569 342 HE22 GLN 41 2HE2 GLN 41 11.345 4.704 -1.458 343 H GLY 42 H GLY 42 13.190 0.298 -1.599 344 HA2 GLY 42 HA1 GLY 42 13.490 -2.080 0.138 345 HA3 GLY 42 HA2 GLY 42 14.516 -1.788 -1.260 346 H ALA 43 H ALA 43 13.642 1.007 0.414 347 HA ALA 43 HA ALA 43 14.693 2.478 1.777 348 HB1 ALA 43 HB1 ALA 43 14.897 0.630 3.384 349 HB2 ALA 43 HB2 ALA 43 16.433 0.173 2.650 350 HB3 ALA 43 HB3 ALA 43 16.270 1.733 3.458 351 H THR 44 H THR 44 17.085 0.265 0.365 352 HA THR 44 HA THR 44 19.066 2.243 -0.081 353 HB THR 44 HB THR 44 18.751 -0.352 -1.602 354 HG1 THR 44 HG1 THR 44 19.179 -1.383 0.197 355 HG21 THR 44 3HG2 THR 44 20.513 1.116 -2.431 356 HG22 THR 44 1HG2 THR 44 21.220 -0.286 -1.627 357 HG23 THR 44 2HG2 THR 44 21.173 1.272 -0.804 358 H GLY 45 H GLY 45 16.207 1.295 -1.796 359 HA2 GLY 45 HA1 GLY 45 16.527 3.412 -3.689 360 HA3 GLY 45 HA2 GLY 45 16.773 1.833 -4.421 361 H ILE 46 H ILE 46 14.716 3.803 -4.929 362 HA ILE 46 HA ILE 46 12.283 2.361 -4.088 363 HB ILE 46 HB ILE 46 12.419 4.997 -5.558 364 HG12 ILE 46 2HG1 ILE 46 12.252 4.554 -2.566 365 HG13 ILE 46 3HG1 ILE 46 13.643 5.206 -3.426 366 HG21 ILE 46 2HG2 ILE 46 10.260 3.741 -3.868 367 HG22 ILE 46 1HG2 ILE 46 10.294 3.781 -5.631 368 HG23 ILE 46 3HG2 ILE 46 10.156 5.282 -4.717 369 HD11 ILE 46 3HD1 ILE 46 12.317 7.138 -4.104 370 HD12 ILE 46 2HD1 ILE 46 12.368 6.966 -2.349 371 HD13 ILE 46 1HD1 ILE 46 10.925 6.483 -3.242 372 H GLU 47 H GLU 47 11.385 0.990 -5.536 373 HA GLU 47 HA GLU 47 12.475 0.927 -8.231 374 HB2 GLU 47 HB2 GLU 47 12.145 -1.156 -6.920 375 HB3 GLU 47 HB3 GLU 47 10.409 -0.874 -6.960 376 HG2 GLU 47 HG2 GLU 47 11.073 -2.505 -8.631 377 HG3 GLU 47 HG3 GLU 47 10.422 -1.049 -9.382 378 H ASN 48 H ASN 48 9.435 1.640 -6.627 379 HA ASN 48 HA ASN 48 8.516 2.892 -9.111 380 HB2 ASN 48 HB2 ASN 48 7.385 0.650 -8.780 381 HB3 ASN 48 HB3 ASN 48 6.674 1.309 -7.311 382 HD21 ASN 48 1HD2 ASN 48 4.577 1.226 -7.996 383 HD22 ASN 48 2HD2 ASN 48 3.962 2.222 -9.270 384 H GLU 49 H GLU 49 9.073 4.877 -8.236 385 HA GLU 49 HA GLU 49 8.419 5.693 -5.612 386 HB2 GLU 49 HB2 GLU 49 10.248 6.714 -6.834 387 HB3 GLU 49 HB3 GLU 49 9.140 7.297 -8.067 388 HG2 GLU 49 HG2 GLU 49 8.078 8.761 -6.434 389 HG3 GLU 49 HG3 GLU 49 9.173 8.165 -5.187 390 H LEU 50 H LEU 50 6.491 6.189 -4.816 391 HA LEU 50 HA LEU 50 4.308 6.937 -6.563 392 HB2 LEU 50 HB2 LEU 50 4.436 6.882 -3.544 393 HB3 LEU 50 HB3 LEU 50 2.983 7.082 -4.505 394 HG LEU 50 HG LEU 50 4.705 4.614 -4.301 395 HD11 LEU 50 2HD1 LEU 50 1.834 5.131 -3.544 396 HD12 LEU 50 1HD1 LEU 50 3.191 4.990 -2.426 397 HD13 LEU 50 3HD1 LEU 50 2.694 3.598 -3.386 398 HD21 LEU 50 3HD2 LEU 50 3.954 4.895 -6.604 399 HD22 LEU 50 2HD2 LEU 50 2.292 5.092 -6.047 400 HD23 LEU 50 1HD2 LEU 50 3.120 3.551 -5.826 401 H THR 51 H THR 51 4.286 8.915 -7.384 402 HA THR 51 HA THR 51 5.695 11.074 -6.104 403 HB THR 51 HB THR 51 4.911 12.432 -8.040 404 HG1 THR 51 HG1 THR 51 3.546 10.001 -8.667 405 HG21 THR 51 3HG2 THR 51 6.208 11.237 -9.735 406 HG22 THR 51 1HG2 THR 51 6.129 9.768 -8.763 407 HG23 THR 51 2HG2 THR 51 7.005 11.177 -8.162 408 H GLU 52 H GLU 52 4.572 13.261 -5.925 409 HA GLU 52 HA GLU 52 2.556 13.234 -4.021 410 HB2 GLU 52 HB2 GLU 52 3.019 15.449 -6.037 411 HB3 GLU 52 HB3 GLU 52 2.230 15.605 -4.477 412 HG2 GLU 52 HG2 GLU 52 4.365 16.501 -4.173 413 HG3 GLU 52 HG3 GLU 52 4.444 14.896 -3.451 414 H LYS 53 H LYS 53 2.361 13.543 -7.513 415 HA LYS 53 HA LYS 53 -0.341 13.917 -7.911 416 HB2 LYS 53 HB2 LYS 53 1.324 13.990 -9.681 417 HB3 LYS 53 HB3 LYS 53 1.626 12.270 -9.505 418 HG2 LYS 53 HG2 LYS 53 -0.663 11.806 -10.260 419 HG3 LYS 53 HG3 LYS 53 -0.924 13.541 -10.478 420 HD2 LYS 53 HD2 LYS 53 0.877 13.631 -12.105 421 HD3 LYS 53 HD3 LYS 53 1.214 11.917 -11.857 422 HE2 LYS 53 HE2 LYS 53 -1.019 11.366 -12.705 423 HE3 LYS 53 HE3 LYS 53 -1.340 13.083 -12.962 424 HZ1 LYS 53 HZ1 LYS 53 -0.638 11.952 -15.002 425 HZ2 LYS 53 HZ2 LYS 53 0.841 11.544 -14.272 426 HZ3 LYS 53 HZ3 LYS 53 0.454 13.173 -14.550 427 H ASP 54 H ASP 54 1.388 10.813 -7.593 428 HA ASP 54 HA ASP 54 -0.873 9.152 -7.891 429 HB2 ASP 54 HB2 ASP 54 1.723 8.629 -6.425 430 HB3 ASP 54 HB3 ASP 54 0.517 7.400 -6.777 431 H VAL 55 H VAL 55 0.686 10.539 -5.074 432 HA VAL 55 HA VAL 55 -0.795 9.067 -3.161 433 HB VAL 55 HB VAL 55 0.641 11.692 -2.775 434 HG11 VAL 55 2HG1 VAL 55 0.834 10.961 -0.451 435 HG12 VAL 55 1HG1 VAL 55 -0.104 9.518 -0.830 436 HG13 VAL 55 3HG1 VAL 55 -0.852 11.110 -0.943 437 HG21 VAL 55 3HG2 VAL 55 2.119 10.030 -3.772 438 HG22 VAL 55 2HG2 VAL 55 1.667 8.869 -2.525 439 HG23 VAL 55 1HG2 VAL 55 2.555 10.329 -2.091 440 H ASN 56 H ASN 56 -1.287 12.188 -4.708 441 HA ASN 56 HA ASN 56 -3.328 13.080 -2.941 442 HB2 ASN 56 HB2 ASN 56 -2.534 13.888 -5.729 443 HB3 ASN 56 HB3 ASN 56 -3.951 14.564 -4.943 444 HD21 ASN 56 1HD2 ASN 56 -1.047 13.764 -3.172 445 HD22 ASN 56 2HD2 ASN 56 -0.575 15.400 -2.851 446 H ILE 57 H ILE 57 -3.302 10.915 -5.637 447 HA ILE 57 HA ILE 57 -6.115 11.141 -6.200 448 HB ILE 57 HB ILE 57 -4.104 9.074 -7.115 449 HG12 ILE 57 2HG1 ILE 57 -3.556 11.304 -7.928 450 HG13 ILE 57 3HG1 ILE 57 -4.172 10.323 -9.255 451 HG21 ILE 57 2HG2 ILE 57 -5.744 8.480 -8.826 452 HG22 ILE 57 1HG2 ILE 57 -6.896 9.614 -8.119 453 HG23 ILE 57 3HG2 ILE 57 -6.378 8.198 -7.204 454 HD11 ILE 57 3HD1 ILE 57 -5.721 12.396 -7.720 455 HD12 ILE 57 2HD1 ILE 57 -6.343 11.422 -9.053 456 HD13 ILE 57 1HD1 ILE 57 -5.048 12.586 -9.339 457 H GLY 58 H GLY 58 -4.029 8.700 -4.665 458 HA2 GLY 58 HA1 GLY 58 -6.119 6.897 -4.063 459 HA3 GLY 58 HA2 GLY 58 -4.522 6.900 -3.335 460 H GLU 59 H GLU 59 -7.300 6.522 -2.275 461 HA GLU 59 HA GLU 59 -7.756 8.727 -0.476 462 HB2 GLU 59 HB2 GLU 59 -8.945 5.943 -0.543 463 HB3 GLU 59 HB3 GLU 59 -9.523 7.273 0.448 464 HG2 GLU 59 HG2 GLU 59 -9.397 7.503 -2.531 465 HG3 GLU 59 HG3 GLU 59 -10.757 6.722 -1.727 466 H VAL 60 H VAL 60 -7.240 5.267 0.185 467 HA VAL 60 HA VAL 60 -6.038 5.985 2.753 468 HB VAL 60 HB VAL 60 -6.289 3.526 3.264 469 HG11 VAL 60 2HG1 VAL 60 -8.808 5.045 2.598 470 HG12 VAL 60 1HG1 VAL 60 -7.869 5.193 4.084 471 HG13 VAL 60 3HG1 VAL 60 -8.683 3.675 3.705 472 HG21 VAL 60 3HG2 VAL 60 -7.894 3.571 0.710 473 HG22 VAL 60 2HG2 VAL 60 -7.863 2.247 1.876 474 HG23 VAL 60 1HG2 VAL 60 -6.398 2.677 0.992 475 H VAL 61 H VAL 61 -4.105 5.111 3.450 476 HA VAL 61 HA VAL 61 -2.323 4.204 1.291 477 HB VAL 61 HB VAL 61 -1.535 5.473 3.915 478 HG11 VAL 61 2HG1 VAL 61 0.029 4.919 1.398 479 HG12 VAL 61 1HG1 VAL 61 0.186 4.076 2.940 480 HG13 VAL 61 3HG1 VAL 61 0.638 5.776 2.814 481 HG21 VAL 61 3HG2 VAL 61 -1.785 6.764 1.195 482 HG22 VAL 61 2HG2 VAL 61 -1.089 7.519 2.630 483 HG23 VAL 61 1HG2 VAL 61 -2.798 7.088 2.601 484 H ILE 62 H ILE 62 -1.832 2.125 1.371 485 HA ILE 62 HA ILE 62 -1.952 0.712 3.933 486 HB ILE 62 HB ILE 62 -1.697 -0.361 1.116 487 HG12 ILE 62 2HG1 ILE 62 -3.987 -0.466 3.097 488 HG13 ILE 62 3HG1 ILE 62 -3.919 0.559 1.669 489 HG21 ILE 62 2HG2 ILE 62 -2.001 -2.579 2.131 490 HG22 ILE 62 1HG2 ILE 62 -1.934 -1.845 3.733 491 HG23 ILE 62 3HG2 ILE 62 -0.519 -1.799 2.681 492 HD11 ILE 62 3HD1 ILE 62 -3.970 -2.449 1.685 493 HD12 ILE 62 2HD1 ILE 62 -3.894 -1.428 0.248 494 HD13 ILE 62 1HD1 ILE 62 -5.318 -1.383 1.289 495 H PHE 63 H PHE 63 -0.130 0.465 5.053 496 HA PHE 63 HA PHE 63 2.410 0.499 3.572 497 HB2 PHE 63 HB2 PHE 63 1.697 1.356 6.350 498 HB3 PHE 63 HB3 PHE 63 3.347 0.866 5.979 499 HD1 PHE 63 HD2 PHE 63 4.103 1.950 3.565 500 HD2 PHE 63 HD1 PHE 63 1.406 3.615 6.394 501 HE1 PHE 63 HE2 PHE 63 4.588 4.201 2.694 502 HE2 PHE 63 HE1 PHE 63 1.877 5.868 5.529 503 HZ PHE 63 HZ PHE 63 3.470 6.161 3.675 504 H ALA 64 H ALA 64 3.024 -1.491 3.129 505 HA ALA 64 HA ALA 64 3.165 -3.382 5.387 506 HB1 ALA 64 HB1 ALA 64 1.790 -4.263 3.569 507 HB2 ALA 64 HB2 ALA 64 3.102 -3.983 2.427 508 HB3 ALA 64 HB3 ALA 64 3.289 -5.179 3.707 509 H VAL 65 H VAL 65 5.133 -2.706 6.193 510 HA VAL 65 HA VAL 65 7.364 -2.732 4.292 511 HB VAL 65 HB VAL 65 8.341 -0.758 5.408 512 HG11 VAL 65 2HG1 VAL 65 6.850 0.916 4.389 513 HG12 VAL 65 1HG1 VAL 65 5.607 -0.321 4.205 514 HG13 VAL 65 3HG1 VAL 65 7.130 -0.463 3.325 515 HG21 VAL 65 3HG2 VAL 65 7.207 -0.904 7.556 516 HG22 VAL 65 2HG2 VAL 65 5.660 -0.563 6.780 517 HG23 VAL 65 1HG2 VAL 65 6.921 0.670 6.813 518 H ASP 66 H ASP 66 9.120 -3.675 4.906 519 HA ASP 66 HA ASP 66 9.486 -4.561 7.671 520 HB2 ASP 66 HB2 ASP 66 9.895 -6.304 6.120 521 HB3 ASP 66 HB3 ASP 66 10.787 -5.248 5.036 522 H THR 67 H THR 67 10.503 -2.218 5.408 523 HA THR 67 HA THR 67 12.587 -1.273 7.247 524 HB THR 67 HB THR 67 13.598 -2.276 5.217 525 HG1 THR 67 HG1 THR 67 14.892 -0.720 5.971 526 HG21 THR 67 3HG2 THR 67 13.346 -1.121 3.055 527 HG22 THR 67 1HG2 THR 67 12.094 -0.102 3.759 528 HG23 THR 67 2HG2 THR 67 11.834 -1.842 3.608 529 H LYS 68 H LYS 68 13.169 1.115 6.056 530 HA LYS 68 HA LYS 68 10.860 2.655 6.844 531 HB2 LYS 68 HB2 LYS 68 12.360 4.583 6.619 532 HB3 LYS 68 HB3 LYS 68 13.101 3.309 7.580 533 HG2 LYS 68 HG2 LYS 68 14.430 2.611 5.676 534 HG3 LYS 68 HG3 LYS 68 13.650 3.832 4.667 535 HD2 LYS 68 HD2 LYS 68 14.557 5.588 6.145 536 HD3 LYS 68 HD3 LYS 68 15.385 4.342 7.083 537 HE2 LYS 68 HE2 LYS 68 16.669 3.688 5.136 538 HE3 LYS 68 HE3 LYS 68 15.803 4.857 4.141 539 HZ1 LYS 68 HZ1 LYS 68 17.927 5.743 4.766 540 HZ2 LYS 68 HZ2 LYS 68 17.617 5.475 6.414 541 HZ3 LYS 68 HZ3 LYS 68 16.717 6.629 5.560 542 H VAL 69 H VAL 69 10.354 4.666 5.534 543 HA VAL 69 HA VAL 69 10.670 4.373 2.662 544 HB VAL 69 HB VAL 69 8.662 3.149 2.846 545 HG11 VAL 69 2HG1 VAL 69 8.093 3.649 5.148 546 HG12 VAL 69 1HG1 VAL 69 6.695 3.891 4.101 547 HG13 VAL 69 3HG1 VAL 69 7.605 5.282 4.693 548 HG21 VAL 69 3HG2 VAL 69 7.917 6.001 2.216 549 HG22 VAL 69 2HG2 VAL 69 6.974 4.577 1.777 550 HG23 VAL 69 1HG2 VAL 69 8.581 4.818 1.089 551 H ARG 70 H ARG 70 11.201 6.281 1.874 552 HA ARG 70 HA ARG 70 11.282 8.575 3.542 553 HB2 ARG 70 HB2 ARG 70 13.027 8.104 1.887 554 HB3 ARG 70 HB3 ARG 70 11.860 8.273 0.586 555 HG2 ARG 70 HG2 ARG 70 12.205 10.582 2.416 556 HG3 ARG 70 HG3 ARG 70 13.514 10.226 1.289 557 HD2 ARG 70 HD2 ARG 70 12.005 10.395 -0.586 558 HD3 ARG 70 HD3 ARG 70 10.626 10.591 0.495 559 HE ARG 70 HE ARG 70 12.170 12.659 1.211 560 HH11 ARG 70 2HH1 ARG 70 11.203 11.522 -1.972 561 HH12 ARG 70 1HH1 ARG 70 11.174 13.121 -2.661 562 HH21 ARG 70 2HH2 ARG 70 12.122 14.740 0.293 563 HH22 ARG 70 1HH2 ARG 70 11.701 14.938 -1.379 564 H ASN 71 H ASN 71 9.264 7.573 0.846 565 HA ASN 71 HA ASN 71 8.031 10.089 0.442 566 HB2 ASN 71 HB2 ASN 71 7.276 7.296 -0.404 567 HB3 ASN 71 HB3 ASN 71 6.318 8.708 -0.840 568 HD21 ASN 71 1HD2 ASN 71 7.831 6.830 -2.536 569 HD22 ASN 71 2HD2 ASN 71 8.937 7.825 -3.426 570 H LYS 72 H LYS 72 7.724 7.964 2.983 571 HA LYS 72 HA LYS 72 5.010 7.833 3.552 572 HB2 LYS 72 HB2 LYS 72 7.001 6.747 4.782 573 HB3 LYS 72 HB3 LYS 72 7.053 8.234 5.719 574 HG2 LYS 72 HG2 LYS 72 4.747 7.869 6.435 575 HG3 LYS 72 HG3 LYS 72 4.688 6.384 5.486 576 HD2 LYS 72 HD2 LYS 72 5.163 5.575 7.594 577 HD3 LYS 72 HD3 LYS 72 6.777 5.727 6.897 578 HE2 LYS 72 HE2 LYS 72 6.949 6.651 9.049 579 HE3 LYS 72 HE3 LYS 72 6.853 8.032 7.958 580 HZ1 LYS 72 HZ1 LYS 72 4.594 6.910 9.538 581 HZ2 LYS 72 HZ2 LYS 72 4.495 8.236 8.490 582 HZ3 LYS 72 HZ3 LYS 72 5.437 8.338 9.890 583 H GLU 73 H GLU 73 7.160 10.509 3.720 584 HA GLU 73 HA GLU 73 6.219 12.306 5.519 585 HB2 GLU 73 HB2 GLU 73 6.601 13.032 2.613 586 HB3 GLU 73 HB3 GLU 73 6.796 14.084 3.999 587 HG2 GLU 73 HG2 GLU 73 8.836 13.154 4.576 588 HG3 GLU 73 HG3 GLU 73 8.541 11.683 3.650 589 H ARG 74 H ARG 74 4.801 11.738 2.334 590 HA ARG 74 HA ARG 74 2.713 13.681 2.747 591 HB2 ARG 74 HB2 ARG 74 2.100 13.122 0.438 592 HB3 ARG 74 HB3 ARG 74 3.820 13.460 0.585 593 HG2 ARG 74 HG2 ARG 74 3.831 10.789 0.931 594 HG3 ARG 74 HG3 ARG 74 2.428 10.968 -0.127 595 HD2 ARG 74 HD2 ARG 74 4.394 10.618 -1.468 596 HD3 ARG 74 HD3 ARG 74 3.823 12.269 -1.687 597 HE ARG 74 HE ARG 74 5.901 11.958 0.305 598 HH11 ARG 74 2HH1 ARG 74 5.149 12.501 -3.035 599 HH12 ARG 74 1HH1 ARG 74 6.609 13.367 -3.393 600 HH21 ARG 74 2HH2 ARG 74 7.898 13.074 -0.116 601 HH22 ARG 74 1HH2 ARG 74 8.182 13.679 -1.730 602 H PHE 75 H PHE 75 3.004 10.177 2.723 603 HA PHE 75 HA PHE 75 0.225 9.612 2.565 604 HB2 PHE 75 HB2 PHE 75 2.478 7.920 3.664 605 HB3 PHE 75 HB3 PHE 75 0.873 7.347 3.251 606 HD1 PHE 75 HD1 PHE 75 0.146 7.671 0.776 607 HD2 PHE 75 HD2 PHE 75 4.173 7.786 2.123 608 HE1 PHE 75 HE1 PHE 75 0.921 7.134 -1.495 609 HE2 PHE 75 HE2 PHE 75 4.957 7.262 -0.146 610 HZ PHE 75 HZ PHE 75 3.329 6.930 -1.958 611 H ASP 76 H ASP 76 2.440 10.334 5.116 612 HA ASP 76 HA ASP 76 1.088 9.089 7.259 613 HB2 ASP 76 HB2 ASP 76 3.502 9.809 7.192 614 HB3 ASP 76 HB3 ASP 76 2.946 11.462 7.429 615 H GLY 77 H GLY 77 0.678 12.155 5.685 616 HA2 GLY 77 HA1 GLY 77 -1.029 13.189 7.813 617 HA3 GLY 77 HA2 GLY 77 -0.584 14.030 6.335 618 H LYS 78 H LYS 78 -1.570 10.848 5.815 619 HA LYS 78 HA LYS 78 -4.283 11.723 5.063 620 HB2 LYS 78 HB2 LYS 78 -2.403 9.812 3.656 621 HB3 LYS 78 HB3 LYS 78 -4.106 9.976 3.247 622 HG2 LYS 78 HG2 LYS 78 -3.813 12.207 2.511 623 HG3 LYS 78 HG3 LYS 78 -2.196 12.296 3.207 624 HD2 LYS 78 HD2 LYS 78 -2.228 12.027 0.722 625 HD3 LYS 78 HD3 LYS 78 -1.334 10.765 1.582 626 HE2 LYS 78 HE2 LYS 78 -2.713 9.836 -0.211 627 HE3 LYS 78 HE3 LYS 78 -3.227 9.258 1.366 628 HZ1 LYS 78 HZ1 LYS 78 -5.095 10.710 1.330 629 HZ2 LYS 78 HZ2 LYS 78 -5.063 9.924 -0.171 630 HZ3 LYS 78 HZ3 LYS 78 -4.530 11.523 -0.042 631 H VAL 79 H VAL 79 -5.276 9.187 4.396 632 HA VAL 79 HA VAL 79 -5.657 8.102 7.059 633 HB VAL 79 HB VAL 79 -6.821 7.057 4.472 634 HG11 VAL 79 2HG1 VAL 79 -8.546 6.108 5.945 635 HG12 VAL 79 1HG1 VAL 79 -7.670 6.719 7.348 636 HG13 VAL 79 3HG1 VAL 79 -6.940 5.487 6.321 637 HG21 VAL 79 3HG2 VAL 79 -8.005 9.067 6.383 638 HG22 VAL 79 2HG2 VAL 79 -8.809 8.375 4.973 639 HG23 VAL 79 1HG2 VAL 79 -7.401 9.415 4.763 640 H VAL 80 H VAL 80 -4.386 6.557 7.867 641 HA VAL 80 HA VAL 80 -2.767 5.015 5.949 642 HB VAL 80 HB VAL 80 -2.020 5.885 8.746 643 HG11 VAL 80 2HG1 VAL 80 0.212 5.025 8.182 644 HG12 VAL 80 1HG1 VAL 80 -0.429 4.409 6.660 645 HG13 VAL 80 3HG1 VAL 80 -1.010 3.754 8.190 646 HG21 VAL 80 3HG2 VAL 80 -0.991 6.830 6.073 647 HG22 VAL 80 2HG2 VAL 80 -0.402 7.347 7.653 648 HG23 VAL 80 1HG2 VAL 80 -2.047 7.740 7.152 649 H LEU 81 H LEU 81 -2.696 2.869 6.082 650 HA LEU 81 HA LEU 81 -3.587 1.542 8.551 651 HB2 LEU 81 HB2 LEU 81 -5.319 1.476 6.686 652 HB3 LEU 81 HB3 LEU 81 -4.178 0.522 5.764 653 HG LEU 81 HG LEU 81 -6.020 -0.755 6.933 654 HD11 LEU 81 2HD1 LEU 81 -4.564 -2.586 7.646 655 HD12 LEU 81 1HD1 LEU 81 -3.179 -1.495 7.612 656 HD13 LEU 81 3HD1 LEU 81 -4.033 -1.883 6.118 657 HD21 LEU 81 3HD2 LEU 81 -6.064 0.460 9.023 658 HD22 LEU 81 2HD2 LEU 81 -4.408 -0.029 9.375 659 HD23 LEU 81 1HD2 LEU 81 -5.691 -1.236 9.321 660 H GLU 82 H GLU 82 -1.867 0.507 9.349 661 HA GLU 82 HA GLU 82 0.273 -0.271 7.499 662 HB2 GLU 82 HB2 GLU 82 0.282 0.375 10.441 663 HB3 GLU 82 HB3 GLU 82 1.669 -0.277 9.590 664 HG2 GLU 82 HG2 GLU 82 1.681 1.682 8.122 665 HG3 GLU 82 HG3 GLU 82 0.302 2.334 9.007 666 H VAL 83 H VAL 83 0.936 -2.305 7.330 667 HA VAL 83 HA VAL 83 0.173 -4.288 9.347 668 HB VAL 83 HB VAL 83 -0.359 -5.929 7.512 669 HG11 VAL 83 2HG1 VAL 83 -2.187 -3.540 7.714 670 HG12 VAL 83 1HG1 VAL 83 -2.140 -4.909 8.823 671 HG13 VAL 83 3HG1 VAL 83 -2.649 -5.146 7.153 672 HG21 VAL 83 3HG2 VAL 83 -1.003 -5.052 5.317 673 HG22 VAL 83 2HG2 VAL 83 0.701 -4.754 5.662 674 HG23 VAL 83 1HG2 VAL 83 -0.471 -3.445 5.806 675 HA PRO 84 HA PRO 84 4.284 -5.908 8.533 676 HB2 PRO 84 HB2 PRO 84 3.805 -8.612 8.457 677 HB3 PRO 84 HB3 PRO 84 3.964 -7.679 9.949 678 HG2 PRO 84 HG2 PRO 84 1.495 -8.592 8.533 679 HG3 PRO 84 HG3 PRO 84 1.842 -8.553 10.272 680 HD2 PRO 84 HD2 PRO 84 0.304 -6.694 9.071 681 HD3 PRO 84 HD3 PRO 84 1.362 -6.300 10.442 682 H VAL 85 H VAL 85 5.545 -6.862 6.831 683 HA VAL 85 HA VAL 85 4.441 -6.364 4.271 684 HB VAL 85 HB VAL 85 6.842 -6.073 4.826 685 HG11 VAL 85 2HG1 VAL 85 6.970 -9.083 4.678 686 HG12 VAL 85 1HG1 VAL 85 7.166 -8.110 6.135 687 HG13 VAL 85 3HG1 VAL 85 8.344 -7.988 4.830 688 HG21 VAL 85 3HG2 VAL 85 7.732 -6.897 2.701 689 HG22 VAL 85 2HG2 VAL 85 6.146 -6.153 2.501 690 HG23 VAL 85 1HG2 VAL 85 6.304 -7.909 2.497 691 H SER 86 H SER 86 4.659 -9.222 6.201 692 HA SER 86 HA SER 86 4.267 -11.120 4.113 693 HB2 SER 86 HB2 SER 86 3.691 -11.408 7.069 694 HB3 SER 86 HB3 SER 86 3.913 -12.717 5.908 695 HG SER 86 HG SER 86 5.941 -12.586 6.384 696 H ALA 87 H ALA 87 2.177 -8.977 5.791 697 HA ALA 87 HA ALA 87 -0.142 -10.563 5.940 698 HB1 ALA 87 HB1 ALA 87 -1.342 -8.521 6.430 699 HB2 ALA 87 HB2 ALA 87 0.190 -8.560 7.302 700 HB3 ALA 87 HB3 ALA 87 0.020 -7.556 5.862 701 HA PRO 88 HA PRO 88 -1.818 -8.412 2.005 702 HB2 PRO 88 HB2 PRO 88 0.436 -7.192 0.597 703 HB3 PRO 88 HB3 PRO 88 -1.092 -6.464 1.098 704 HG2 PRO 88 HG2 PRO 88 1.253 -5.824 2.263 705 HG3 PRO 88 HG3 PRO 88 -0.276 -5.853 3.162 706 HD2 PRO 88 HD2 PRO 88 1.899 -7.918 3.056 707 HD3 PRO 88 HD3 PRO 88 1.001 -7.302 4.462 708 H ILE 89 H ILE 89 0.674 -10.508 2.274 709 HA ILE 89 HA ILE 89 0.764 -11.280 -0.523 710 HB ILE 89 HB ILE 89 1.974 -12.592 1.920 711 HG12 ILE 89 2HG1 ILE 89 3.221 -10.926 -0.279 712 HG13 ILE 89 3HG1 ILE 89 2.920 -10.381 1.367 713 HG21 ILE 89 2HG2 ILE 89 2.321 -13.222 -1.011 714 HG22 ILE 89 1HG2 ILE 89 1.577 -14.254 0.212 715 HG23 ILE 89 3HG2 ILE 89 3.302 -13.895 0.290 716 HD11 ILE 89 3HD1 ILE 89 4.803 -12.578 0.540 717 HD12 ILE 89 2HD1 ILE 89 4.489 -12.065 2.199 718 HD13 ILE 89 1HD1 ILE 89 5.247 -10.952 1.059 719 H LYS 90 H LYS 90 -0.320 -12.687 2.557 720 HA LYS 90 HA LYS 90 -1.936 -14.624 1.079 721 HB2 LYS 90 HB2 LYS 90 -1.199 -14.429 3.998 722 HB3 LYS 90 HB3 LYS 90 -2.308 -15.632 3.354 723 HG2 LYS 90 HG2 LYS 90 -0.510 -16.473 1.896 724 HG3 LYS 90 HG3 LYS 90 0.596 -15.307 2.626 725 HD2 LYS 90 HD2 LYS 90 0.819 -17.536 3.634 726 HD3 LYS 90 HD3 LYS 90 0.268 -16.340 4.809 727 HE2 LYS 90 HE2 LYS 90 -2.043 -17.109 4.479 728 HE3 LYS 90 HE3 LYS 90 -1.464 -18.322 3.337 729 HZ1 LYS 90 HZ1 LYS 90 -0.236 -19.387 5.079 730 HZ2 LYS 90 HZ2 LYS 90 -1.846 -19.207 5.583 731 HZ3 LYS 90 HZ3 LYS 90 -0.647 -18.170 6.186 732 H ASP 91 H ASP 91 -2.258 -11.782 3.060 733 HA ASP 91 HA ASP 91 -5.177 -12.207 3.187 734 HB2 ASP 91 HB2 ASP 91 -3.397 -10.847 5.226 735 HB3 ASP 91 HB3 ASP 91 -5.148 -10.996 5.334 736 H ALA 92 H ALA 92 -3.761 -10.852 1.100 737 HA ALA 92 HA ALA 92 -3.481 -8.110 1.337 738 HB1 ALA 92 HB1 ALA 92 -3.703 -8.009 -1.065 739 HB2 ALA 92 HB2 ALA 92 -2.787 -9.447 -0.612 740 HB3 ALA 92 HB3 ALA 92 -4.480 -9.593 -1.088 741 H GLU 93 H GLU 93 -6.384 -9.950 0.501 742 HA GLU 93 HA GLU 93 -7.995 -7.693 -0.036 743 HB2 GLU 93 HB2 GLU 93 -8.784 -10.514 0.700 744 HB3 GLU 93 HB3 GLU 93 -9.862 -9.299 0.021 745 HG2 GLU 93 HG2 GLU 93 -8.622 -9.234 -2.017 746 HG3 GLU 93 HG3 GLU 93 -7.366 -10.269 -1.338 747 H LYS 94 H LYS 94 -7.285 -9.478 2.895 748 HA LYS 94 HA LYS 94 -9.364 -8.326 4.469 749 HB2 LYS 94 HB2 LYS 94 -6.737 -9.554 5.324 750 HB3 LYS 94 HB3 LYS 94 -8.066 -9.155 6.403 751 HG2 LYS 94 HG2 LYS 94 -9.482 -10.790 5.313 752 HG3 LYS 94 HG3 LYS 94 -8.200 -11.148 4.151 753 HD2 LYS 94 HD2 LYS 94 -6.751 -11.856 6.020 754 HD3 LYS 94 HD3 LYS 94 -8.090 -11.579 7.133 755 HE2 LYS 94 HE2 LYS 94 -9.371 -13.324 6.158 756 HE3 LYS 94 HE3 LYS 94 -8.259 -13.470 4.796 757 HZ1 LYS 94 HZ1 LYS 94 -6.536 -14.188 6.366 758 HZ2 LYS 94 HZ2 LYS 94 -7.866 -15.239 6.360 759 HZ3 LYS 94 HZ3 LYS 94 -7.665 -14.140 7.630 760 H VAL 95 H VAL 95 -5.990 -7.558 3.842 761 HA VAL 95 HA VAL 95 -5.684 -5.405 5.610 762 HB VAL 95 HB VAL 95 -4.406 -5.775 2.892 763 HG11 VAL 95 2HG1 VAL 95 -2.621 -4.345 3.756 764 HG12 VAL 95 1HG1 VAL 95 -3.536 -4.105 5.244 765 HG13 VAL 95 3HG1 VAL 95 -4.167 -3.498 3.713 766 HG21 VAL 95 3HG2 VAL 95 -3.450 -6.631 5.621 767 HG22 VAL 95 2HG2 VAL 95 -2.544 -6.783 4.115 768 HG23 VAL 95 1HG2 VAL 95 -4.036 -7.698 4.343 769 H ILE 96 H ILE 96 -6.855 -5.538 2.273 770 HA ILE 96 HA ILE 96 -7.292 -2.796 1.890 771 HB ILE 96 HB ILE 96 -8.830 -5.125 0.730 772 HG12 ILE 96 2HG1 ILE 96 -6.498 -3.563 -0.399 773 HG13 ILE 96 3HG1 ILE 96 -6.378 -5.165 0.321 774 HG21 ILE 96 2HG2 ILE 96 -9.453 -3.584 -1.065 775 HG22 ILE 96 1HG2 ILE 96 -8.637 -2.268 -0.222 776 HG23 ILE 96 3HG2 ILE 96 -10.058 -3.029 0.496 777 HD11 ILE 96 3HD1 ILE 96 -6.392 -5.307 -2.086 778 HD12 ILE 96 2HD1 ILE 96 -7.928 -4.442 -2.151 779 HD13 ILE 96 1HD1 ILE 96 -7.849 -6.044 -1.419 780 H ASN 97 H ASN 97 -9.443 -5.329 3.154 781 HA ASN 97 HA ASN 97 -11.691 -3.671 3.537 782 HB2 ASN 97 HB2 ASN 97 -10.865 -6.339 4.597 783 HB3 ASN 97 HB3 ASN 97 -12.229 -5.512 5.343 784 HD21 ASN 97 1HD2 ASN 97 -11.024 -7.053 2.474 785 HD22 ASN 97 2HD2 ASN 97 -12.554 -7.196 1.678 786 H ALA 98 H ALA 98 -8.903 -4.365 5.551 787 HA ALA 98 HA ALA 98 -9.837 -3.191 7.932 788 HB1 ALA 98 HB1 ALA 98 -7.497 -3.034 8.582 789 HB2 ALA 98 HB2 ALA 98 -7.821 -4.592 7.821 790 HB3 ALA 98 HB3 ALA 98 -6.998 -3.322 6.915 791 H ALA 99 H ALA 99 -8.114 -1.841 5.154 792 HA ALA 99 HA ALA 99 -7.954 0.805 6.161 793 HB1 ALA 99 HB1 ALA 99 -7.365 1.436 3.887 794 HB2 ALA 99 HB2 ALA 99 -6.504 -0.028 4.363 795 HB3 ALA 99 HB3 ALA 99 -7.904 -0.135 3.295 796 H LEU 100 H LEU 100 -10.285 -0.902 4.131 797 HA LEU 100 HA LEU 100 -11.944 1.297 3.542 798 HB2 LEU 100 HB2 LEU 100 -12.594 -1.642 3.754 799 HB3 LEU 100 HB3 LEU 100 -13.699 -0.435 3.127 800 HG LEU 100 HG LEU 100 -11.026 -1.160 1.920 801 HD11 LEU 100 2HD1 LEU 100 -12.687 -2.922 1.646 802 HD12 LEU 100 1HD1 LEU 100 -12.366 -2.115 0.111 803 HD13 LEU 100 3HD1 LEU 100 -13.840 -1.750 1.007 804 HD21 LEU 100 3HD2 LEU 100 -11.764 0.255 0.044 805 HD22 LEU 100 2HD2 LEU 100 -11.559 1.174 1.534 806 HD23 LEU 100 1HD2 LEU 100 -13.175 0.740 0.983 807 H ALA 101 H ALA 101 -11.789 -0.869 6.303 808 HA ALA 101 HA ALA 101 -14.264 -0.184 7.470 809 HB1 ALA 101 HB1 ALA 101 -11.744 -1.163 8.807 810 HB2 ALA 101 HB2 ALA 101 -13.356 -1.150 9.525 811 HB3 ALA 101 HB3 ALA 101 -13.020 -2.170 8.126 812 H LEU 102 H LEU 102 -11.238 1.480 7.342 813 HA LEU 102 HA LEU 102 -11.704 3.111 9.659 814 HB2 LEU 102 HB2 LEU 102 -9.778 3.520 7.370 815 HB3 LEU 102 HB3 LEU 102 -9.748 4.370 8.903 816 HG LEU 102 HG LEU 102 -9.238 1.422 8.498 817 HD11 LEU 102 2HD1 LEU 102 -7.412 2.822 7.716 818 HD12 LEU 102 1HD1 LEU 102 -6.959 1.977 9.197 819 HD13 LEU 102 3HD1 LEU 102 -7.396 3.686 9.252 820 HD21 LEU 102 3HD2 LEU 102 -9.186 3.090 11.012 821 HD22 LEU 102 2HD2 LEU 102 -8.654 1.413 10.882 822 HD23 LEU 102 1HD2 LEU 102 -10.350 1.823 10.621 823 H ILE 103 H ILE 103 -12.011 3.547 6.153 824 HA ILE 103 HA ILE 103 -12.963 6.274 6.557 825 HB ILE 103 HB ILE 103 -12.973 6.389 4.056 826 HG12 ILE 103 2HG1 ILE 103 -11.531 3.736 4.241 827 HG13 ILE 103 3HG1 ILE 103 -13.200 3.914 3.711 828 HG21 ILE 103 2HG2 ILE 103 -10.376 5.632 5.378 829 HG22 ILE 103 1HG2 ILE 103 -11.122 7.230 5.385 830 HG23 ILE 103 3HG2 ILE 103 -10.540 6.532 3.871 831 HD11 ILE 103 3HD1 ILE 103 -12.473 5.253 1.825 832 HD12 ILE 103 2HD1 ILE 103 -11.666 3.686 1.837 833 HD13 ILE 103 1HD1 ILE 103 -10.800 5.128 2.366 834 H ASP 104 H ASP 104 -14.170 3.164 5.398 835 HA ASP 104 HA ASP 104 -16.775 4.454 4.902 836 HB2 ASP 104 HB2 ASP 104 -15.480 3.504 2.914 837 HB3 ASP 104 HB3 ASP 104 -15.819 1.913 3.589 838 H GLU 105 H GLU 105 -15.078 2.068 6.651 839 HA GLU 105 HA GLU 105 -15.689 0.677 8.345 840 HB2 GLU 105 HB2 GLU 105 -17.123 2.657 8.976 841 HB3 GLU 105 HB3 GLU 105 -18.447 1.900 8.109 842 HG2 GLU 105 HG2 GLU 105 -18.478 0.059 9.646 843 HG3 GLU 105 HG3 GLU 105 -17.024 0.654 10.448 844 H LYS 106 H LYS 106 -16.052 0.104 5.466 845 HA LYS 106 HA LYS 106 -18.278 -1.745 5.320 846 HB2 LYS 106 HB2 LYS 106 -17.755 -0.316 3.399 847 HB3 LYS 106 HB3 LYS 106 -16.145 -1.003 3.307 848 HG2 LYS 106 HG2 LYS 106 -17.429 -1.993 1.593 849 HG3 LYS 106 HG3 LYS 106 -17.212 -3.218 2.841 850 HD2 LYS 106 HD2 LYS 106 -19.656 -1.493 2.854 851 HD3 LYS 106 HD3 LYS 106 -19.556 -2.857 1.743 852 HE2 LYS 106 HE2 LYS 106 -19.271 -2.987 4.743 853 HE3 LYS 106 HE3 LYS 106 -20.690 -3.475 3.817 854 HZ1 LYS 106 HZ1 LYS 106 -17.993 -4.705 3.655 855 HZ2 LYS 106 HZ2 LYS 106 -19.324 -5.153 2.710 856 HZ3 LYS 106 HZ3 LYS 106 -19.357 -5.388 4.387 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -16.079 -2.795 -6.284 2 H2 MET 1 H2 MET 1 -14.381 -2.820 -6.244 3 H3 MET 1 H3 MET 1 -15.188 -2.545 -7.706 4 HA MET 1 HA MET 1 -16.050 -0.464 -6.917 5 HB2 MET 1 HB2 MET 1 -16.176 -1.100 -4.524 6 HB3 MET 1 HB3 MET 1 -14.420 -1.052 -4.433 7 HG2 MET 1 HG2 MET 1 -14.502 1.351 -5.037 8 HG3 MET 1 HG3 MET 1 -16.259 1.268 -4.978 9 HE1 MET 1 HE1 MET 1 -16.871 0.414 -1.183 10 HE2 MET 1 HE2 MET 1 -17.636 0.718 -2.743 11 HE3 MET 1 HE3 MET 1 -16.673 -0.741 -2.501 12 H LYS 2 H LYS 2 -14.984 1.095 -7.956 13 HA LYS 2 HA LYS 2 -12.186 0.677 -8.607 14 HB2 LYS 2 HB2 LYS 2 -14.083 2.886 -9.431 15 HB3 LYS 2 HB3 LYS 2 -12.474 2.628 -10.090 16 HG2 LYS 2 HG2 LYS 2 -14.793 0.720 -10.317 17 HG3 LYS 2 HG3 LYS 2 -14.216 1.805 -11.585 18 HD2 LYS 2 HD2 LYS 2 -12.051 0.657 -11.572 19 HD3 LYS 2 HD3 LYS 2 -12.638 -0.427 -10.309 20 HE2 LYS 2 HE2 LYS 2 -13.778 -0.164 -13.087 21 HE3 LYS 2 HE3 LYS 2 -12.749 -1.474 -12.512 22 HZ1 LYS 2 HZ1 LYS 2 -14.480 -2.032 -10.882 23 HZ2 LYS 2 HZ2 LYS 2 -15.038 -2.154 -12.476 24 HZ3 LYS 2 HZ3 LYS 2 -15.477 -0.819 -11.525 25 H ARG 3 H ARG 3 -11.926 0.971 -6.092 26 HA ARG 3 HA ARG 3 -11.889 3.765 -5.289 27 HB2 ARG 3 HB2 ARG 3 -12.565 1.682 -3.838 28 HB3 ARG 3 HB3 ARG 3 -10.832 1.557 -3.564 29 HG2 ARG 3 HG2 ARG 3 -11.820 2.814 -1.771 30 HG3 ARG 3 HG3 ARG 3 -10.837 3.902 -2.757 31 HD2 ARG 3 HD2 ARG 3 -12.909 4.571 -3.965 32 HD3 ARG 3 HD3 ARG 3 -13.835 3.600 -2.823 33 HE ARG 3 HE ARG 3 -12.269 6.001 -2.111 34 HH11 ARG 3 2HH1 ARG 3 -14.884 3.763 -1.506 35 HH12 ARG 3 1HH1 ARG 3 -15.591 4.723 -0.245 36 HH21 ARG 3 2HH2 ARG 3 -13.191 7.299 -0.501 37 HH22 ARG 3 1HH2 ARG 3 -14.642 6.764 0.311 38 H LYS 4 H LYS 4 -10.113 4.972 -4.942 39 HA LYS 4 HA LYS 4 -7.659 4.101 -6.208 40 HB2 LYS 4 HB2 LYS 4 -8.087 6.731 -4.802 41 HB3 LYS 4 HB3 LYS 4 -7.005 6.369 -6.141 42 HG2 LYS 4 HG2 LYS 4 -10.010 6.369 -6.329 43 HG3 LYS 4 HG3 LYS 4 -8.975 7.723 -6.780 44 HD2 LYS 4 HD2 LYS 4 -7.919 6.399 -8.501 45 HD3 LYS 4 HD3 LYS 4 -8.822 4.967 -7.994 46 HE2 LYS 4 HE2 LYS 4 -9.812 5.999 -9.983 47 HE3 LYS 4 HE3 LYS 4 -10.914 6.045 -8.608 48 HZ1 LYS 4 HZ1 LYS 4 -10.974 8.144 -9.700 49 HZ2 LYS 4 HZ2 LYS 4 -9.284 8.292 -9.668 50 HZ3 LYS 4 HZ3 LYS 4 -10.171 8.368 -8.222 51 H ILE 5 H ILE 5 -5.895 3.367 -5.133 52 HA ILE 5 HA ILE 5 -5.644 3.973 -2.269 53 HB ILE 5 HB ILE 5 -5.404 1.180 -3.412 54 HG12 ILE 5 2HG1 ILE 5 -7.454 2.309 -1.487 55 HG13 ILE 5 3HG1 ILE 5 -7.751 1.939 -3.183 56 HG21 ILE 5 2HG2 ILE 5 -3.800 1.556 -1.641 57 HG22 ILE 5 1HG2 ILE 5 -5.083 0.486 -1.073 58 HG23 ILE 5 3HG2 ILE 5 -5.070 2.182 -0.589 59 HD11 ILE 5 3HD1 ILE 5 -7.318 -0.417 -2.751 60 HD12 ILE 5 2HD1 ILE 5 -8.613 0.198 -1.726 61 HD13 ILE 5 1HD1 ILE 5 -7.001 -0.052 -1.054 62 H ILE 6 H ILE 6 -3.567 4.379 -1.648 63 HA ILE 6 HA ILE 6 -1.436 3.537 -3.494 64 HB ILE 6 HB ILE 6 0.021 5.271 -2.597 65 HG12 ILE 6 2HG1 ILE 6 -1.184 5.414 -0.338 66 HG13 ILE 6 3HG1 ILE 6 -0.603 6.923 -1.031 67 HG21 ILE 6 2HG2 ILE 6 -1.244 5.769 -4.583 68 HG22 ILE 6 1HG2 ILE 6 -1.083 7.224 -3.597 69 HG23 ILE 6 3HG2 ILE 6 -2.605 6.333 -3.612 70 HD11 ILE 6 3HD1 ILE 6 -2.864 7.428 -1.800 71 HD12 ILE 6 2HD1 ILE 6 -2.802 7.188 -0.054 72 HD13 ILE 6 1HD1 ILE 6 -3.440 5.916 -1.098 73 H ALA 7 H ALA 7 0.135 2.243 -2.739 74 HA ALA 7 HA ALA 7 0.214 1.687 0.133 75 HB1 ALA 7 HB1 ALA 7 -0.150 -0.461 -1.953 76 HB2 ALA 7 HB2 ALA 7 0.052 -0.711 -0.218 77 HB3 ALA 7 HB3 ALA 7 -1.390 0.098 -0.829 78 H VAL 8 H VAL 8 2.227 1.325 0.860 79 HA VAL 8 HA VAL 8 4.332 1.073 -1.181 80 HB VAL 8 HB VAL 8 4.600 2.185 1.618 81 HG11 VAL 8 2HG1 VAL 8 6.814 2.935 0.837 82 HG12 VAL 8 1HG1 VAL 8 6.553 2.070 -0.679 83 HG13 VAL 8 3HG1 VAL 8 6.661 1.177 0.839 84 HG21 VAL 8 3HG2 VAL 8 4.478 3.603 -1.044 85 HG22 VAL 8 2HG2 VAL 8 4.894 4.361 0.494 86 HG23 VAL 8 1HG2 VAL 8 3.282 3.687 0.251 87 H THR 9 H THR 9 5.057 -0.914 -1.340 88 HA THR 9 HA THR 9 5.257 -2.597 1.046 89 HB THR 9 HB THR 9 5.983 -4.352 -0.661 90 HG1 THR 9 HG1 THR 9 6.246 -2.434 -2.265 91 HG21 THR 9 3HG2 THR 9 3.229 -3.138 -0.906 92 HG22 THR 9 1HG2 THR 9 3.741 -4.342 0.276 93 HG23 THR 9 2HG2 THR 9 3.676 -4.759 -1.437 94 H ALA 10 H ALA 10 7.086 -2.338 2.168 95 HA ALA 10 HA ALA 10 9.561 -1.821 0.665 96 HB1 ALA 10 HB1 ALA 10 8.758 -0.471 3.238 97 HB2 ALA 10 HB2 ALA 10 10.278 -0.240 2.371 98 HB3 ALA 10 HB3 ALA 10 8.759 0.270 1.637 99 H CYS 11 H CYS 11 10.590 -3.710 0.871 100 HA CYS 11 HA CYS 11 11.153 -4.594 3.619 101 HB2 CYS 11 HB2 CYS 11 9.688 -6.220 2.445 102 HB3 CYS 11 HB3 CYS 11 10.905 -6.378 1.182 103 HG CYS 11 HG CYS 11 12.057 -6.954 4.275 104 H ALA 12 H ALA 12 13.255 -4.719 4.125 105 HA ALA 12 HA ALA 12 15.181 -4.321 1.931 106 HB1 ALA 12 HB1 ALA 12 15.467 -3.642 4.855 107 HB2 ALA 12 HB2 ALA 12 16.673 -3.344 3.603 108 HB3 ALA 12 HB3 ALA 12 15.124 -2.500 3.556 109 H THR 13 H THR 13 14.347 -6.282 4.689 110 HA THR 13 HA THR 13 16.793 -7.725 4.829 111 HB THR 13 HB THR 13 14.108 -8.706 5.789 112 HG1 THR 13 HG1 THR 13 14.145 -6.793 6.788 113 HG21 THR 13 3HG2 THR 13 16.001 -10.272 5.939 114 HG22 THR 13 1HG2 THR 13 15.441 -9.774 7.536 115 HG23 THR 13 2HG2 THR 13 16.911 -9.074 6.859 116 H GLY 14 H GLY 14 13.558 -8.614 3.591 117 HA2 GLY 14 HA1 GLY 14 14.876 -10.690 1.961 118 HA3 GLY 14 HA2 GLY 14 13.237 -10.820 2.586 119 H VAL 15 H VAL 15 15.263 -9.520 0.117 120 HA VAL 15 HA VAL 15 13.531 -7.630 -1.004 121 HB VAL 15 HB VAL 15 14.902 -7.975 -3.090 122 HG11 VAL 15 2HG1 VAL 15 15.465 -6.298 -1.425 123 HG12 VAL 15 1HG1 VAL 15 16.928 -7.014 -2.105 124 HG13 VAL 15 3HG1 VAL 15 16.370 -7.499 -0.502 125 HG21 VAL 15 3HG2 VAL 15 16.391 -9.919 -1.324 126 HG22 VAL 15 2HG2 VAL 15 16.914 -9.357 -2.912 127 HG23 VAL 15 1HG2 VAL 15 15.454 -10.335 -2.759 128 H ALA 16 H ALA 16 13.493 -11.086 -1.153 129 HA ALA 16 HA ALA 16 11.939 -11.335 -3.531 130 HB1 ALA 16 HB1 ALA 16 13.199 -13.219 -2.595 131 HB2 ALA 16 HB2 ALA 16 12.142 -13.220 -1.183 132 HB3 ALA 16 HB3 ALA 16 11.488 -13.609 -2.772 133 H HIS 17 H HIS 17 11.243 -10.560 -0.224 134 HA HIS 17 HA HIS 17 8.439 -11.169 -0.345 135 HB2 HIS 17 HB2 HIS 17 10.144 -9.681 1.648 136 HB3 HIS 17 HB3 HIS 17 8.394 -9.758 1.804 137 HD1 HIS 17 HD1 HIS 17 7.901 -11.386 3.607 138 HD2 HIS 17 HD2 HIS 17 10.984 -12.696 1.142 139 HE1 HIS 17 HE1 HIS 17 8.483 -13.689 4.416 140 HE2 HIS 17 HE2 HIS 17 10.477 -14.380 3.043 141 H THR 18 H THR 18 10.448 -8.342 -0.855 142 HA THR 18 HA THR 18 8.557 -6.320 -0.799 143 HB THR 18 HB THR 18 10.756 -6.357 -2.850 144 HG1 THR 18 HG1 THR 18 12.207 -5.804 -1.177 145 HG21 THR 18 3HG2 THR 18 10.946 -3.984 -2.178 146 HG22 THR 18 1HG2 THR 18 9.604 -4.214 -1.057 147 HG23 THR 18 2HG2 THR 18 9.343 -4.382 -2.793 148 H TYR 19 H TYR 19 9.627 -8.235 -3.611 149 HA TYR 19 HA TYR 19 7.785 -6.925 -5.372 150 HB2 TYR 19 HB2 TYR 19 9.411 -9.432 -5.840 151 HB3 TYR 19 HB3 TYR 19 8.631 -8.447 -7.076 152 HD1 TYR 19 HD2 TYR 19 9.329 -5.854 -6.925 153 HD2 TYR 19 HD1 TYR 19 11.671 -9.121 -5.542 154 HE1 TYR 19 HE2 TYR 19 11.349 -4.464 -7.094 155 HE2 TYR 19 HE1 TYR 19 13.702 -7.741 -5.700 156 HH TYR 19 HH TYR 19 13.582 -4.343 -6.166 157 H MET 20 H MET 20 7.807 -9.935 -3.562 158 HA MET 20 HA MET 20 5.588 -11.089 -4.921 159 HB2 MET 20 HB2 MET 20 7.147 -12.470 -3.636 160 HB3 MET 20 HB3 MET 20 6.652 -11.664 -2.153 161 HG2 MET 20 HG2 MET 20 4.397 -12.535 -2.406 162 HG3 MET 20 HG3 MET 20 4.857 -13.311 -3.922 163 HE1 MET 20 HE1 MET 20 7.456 -15.984 -2.706 164 HE2 MET 20 HE2 MET 20 6.569 -15.352 -4.092 165 HE3 MET 20 HE3 MET 20 7.774 -14.348 -3.284 166 H ALA 21 H ALA 21 5.921 -9.183 -1.955 167 HA ALA 21 HA ALA 21 3.237 -9.336 -1.130 168 HB1 ALA 21 HB1 ALA 21 3.728 -7.378 0.241 169 HB2 ALA 21 HB2 ALA 21 5.028 -8.566 0.340 170 HB3 ALA 21 HB3 ALA 21 5.228 -7.123 -0.652 171 H ALA 22 H ALA 22 4.942 -6.980 -3.155 172 HA ALA 22 HA ALA 22 2.857 -5.171 -3.542 173 HB1 ALA 22 HB1 ALA 22 4.064 -4.474 -5.557 174 HB2 ALA 22 HB2 ALA 22 5.158 -4.706 -4.194 175 HB3 ALA 22 HB3 ALA 22 5.059 -5.928 -5.463 176 H GLN 23 H GLN 23 3.747 -8.016 -5.492 177 HA GLN 23 HA GLN 23 1.663 -7.633 -7.387 178 HB2 GLN 23 HB2 GLN 23 3.392 -10.024 -6.752 179 HB3 GLN 23 HB3 GLN 23 2.230 -9.991 -8.070 180 HG2 GLN 23 HG2 GLN 23 3.411 -8.178 -9.125 181 HG3 GLN 23 HG3 GLN 23 4.529 -8.080 -7.765 182 HE21 GLN 23 1HE2 GLN 23 6.113 -9.619 -7.532 183 HE22 GLN 23 2HE2 GLN 23 6.545 -10.712 -8.802 184 H ALA 24 H ALA 24 1.953 -9.620 -4.463 185 HA ALA 24 HA ALA 24 -0.513 -10.988 -4.787 186 HB1 ALA 24 HB1 ALA 24 1.236 -11.773 -3.267 187 HB2 ALA 24 HB2 ALA 24 0.990 -10.353 -2.250 188 HB3 ALA 24 HB3 ALA 24 -0.295 -11.549 -2.420 189 H LEU 25 H LEU 25 0.418 -8.008 -3.153 190 HA LEU 25 HA LEU 25 -2.095 -7.319 -2.089 191 HB2 LEU 25 HB2 LEU 25 -0.007 -6.243 -1.427 192 HB3 LEU 25 HB3 LEU 25 0.176 -5.571 -3.035 193 HG LEU 25 HG LEU 25 -1.841 -4.198 -2.673 194 HD11 LEU 25 2HD1 LEU 25 -3.002 -5.627 -1.075 195 HD12 LEU 25 1HD1 LEU 25 -2.781 -4.004 -0.421 196 HD13 LEU 25 3HD1 LEU 25 -1.745 -5.323 0.124 197 HD21 LEU 25 3HD2 LEU 25 0.429 -3.370 -2.176 198 HD22 LEU 25 2HD2 LEU 25 0.227 -3.892 -0.504 199 HD23 LEU 25 1HD2 LEU 25 -0.810 -2.625 -1.163 200 H LYS 26 H LYS 26 -0.553 -6.487 -5.191 201 HA LYS 26 HA LYS 26 -2.644 -4.992 -6.296 202 HB2 LYS 26 HB2 LYS 26 -0.599 -6.784 -7.609 203 HB3 LYS 26 HB3 LYS 26 -1.727 -5.796 -8.521 204 HG2 LYS 26 HG2 LYS 26 -0.786 -3.785 -7.457 205 HG3 LYS 26 HG3 LYS 26 0.385 -4.807 -6.618 206 HD2 LYS 26 HD2 LYS 26 1.251 -5.579 -8.778 207 HD3 LYS 26 HD3 LYS 26 0.084 -4.550 -9.611 208 HE2 LYS 26 HE2 LYS 26 1.108 -2.582 -8.510 209 HE3 LYS 26 HE3 LYS 26 2.325 -3.644 -7.806 210 HZ1 LYS 26 HZ1 LYS 26 3.101 -2.536 -9.824 211 HZ2 LYS 26 HZ2 LYS 26 1.868 -3.280 -10.720 212 HZ3 LYS 26 HZ3 LYS 26 3.083 -4.219 -10.008 213 H LYS 27 H LYS 27 -2.062 -8.466 -6.263 214 HA LYS 27 HA LYS 27 -4.109 -9.236 -8.018 215 HB2 LYS 27 HB2 LYS 27 -2.135 -10.591 -7.032 216 HB3 LYS 27 HB3 LYS 27 -3.219 -10.913 -5.686 217 HG2 LYS 27 HG2 LYS 27 -3.273 -12.737 -7.264 218 HG3 LYS 27 HG3 LYS 27 -4.833 -11.909 -7.240 219 HD2 LYS 27 HD2 LYS 27 -4.331 -10.764 -9.283 220 HD3 LYS 27 HD3 LYS 27 -2.666 -11.345 -9.258 221 HE2 LYS 27 HE2 LYS 27 -5.139 -13.042 -9.579 222 HE3 LYS 27 HE3 LYS 27 -4.011 -12.596 -10.860 223 HZ1 LYS 27 HZ1 LYS 27 -3.593 -14.435 -8.587 224 HZ2 LYS 27 HZ2 LYS 27 -2.272 -13.717 -9.373 225 HZ3 LYS 27 HZ3 LYS 27 -3.336 -14.707 -10.245 226 H GLY 28 H GLY 28 -4.079 -8.825 -4.496 227 HA2 GLY 28 HA1 GLY 28 -6.796 -9.639 -4.144 228 HA3 GLY 28 HA2 GLY 28 -5.805 -8.792 -2.965 229 H ALA 29 H ALA 29 -5.195 -6.513 -4.507 230 HA ALA 29 HA ALA 29 -7.483 -4.927 -4.012 231 HB1 ALA 29 HB1 ALA 29 -5.197 -4.050 -3.909 232 HB2 ALA 29 HB2 ALA 29 -5.046 -4.249 -5.654 233 HB3 ALA 29 HB3 ALA 29 -6.213 -3.101 -4.994 234 H LYS 30 H LYS 30 -6.068 -6.232 -6.979 235 HA LYS 30 HA LYS 30 -7.914 -4.970 -8.718 236 HB2 LYS 30 HB2 LYS 30 -5.689 -5.851 -9.423 237 HB3 LYS 30 HB3 LYS 30 -6.293 -7.482 -9.192 238 HG2 LYS 30 HG2 LYS 30 -6.554 -7.269 -11.443 239 HG3 LYS 30 HG3 LYS 30 -8.131 -6.700 -10.900 240 HD2 LYS 30 HD2 LYS 30 -5.803 -4.875 -11.488 241 HD3 LYS 30 HD3 LYS 30 -7.035 -5.298 -12.676 242 HE2 LYS 30 HE2 LYS 30 -8.750 -4.365 -11.132 243 HE3 LYS 30 HE3 LYS 30 -7.445 -3.834 -10.073 244 HZ1 LYS 30 HZ1 LYS 30 -7.635 -3.013 -12.908 245 HZ2 LYS 30 HZ2 LYS 30 -6.652 -2.345 -11.694 246 HZ3 LYS 30 HZ3 LYS 30 -8.335 -2.125 -11.645 247 H LYS 31 H LYS 31 -7.929 -7.932 -6.896 248 HA LYS 31 HA LYS 31 -10.110 -9.233 -8.100 249 HB2 LYS 31 HB2 LYS 31 -8.636 -10.306 -6.450 250 HB3 LYS 31 HB3 LYS 31 -9.237 -9.226 -5.200 251 HG2 LYS 31 HG2 LYS 31 -11.488 -10.196 -5.499 252 HG3 LYS 31 HG3 LYS 31 -10.807 -11.337 -6.662 253 HD2 LYS 31 HD2 LYS 31 -9.295 -12.182 -4.922 254 HD3 LYS 31 HD3 LYS 31 -10.010 -11.061 -3.765 255 HE2 LYS 31 HE2 LYS 31 -10.993 -13.225 -3.446 256 HE3 LYS 31 HE3 LYS 31 -12.204 -12.151 -4.144 257 HZ1 LYS 31 HZ1 LYS 31 -11.674 -13.121 -6.336 258 HZ2 LYS 31 HZ2 LYS 31 -12.298 -14.254 -5.241 259 HZ3 LYS 31 HZ3 LYS 31 -10.635 -14.227 -5.576 260 H MET 32 H MET 32 -9.889 -6.647 -5.761 261 HA MET 32 HA MET 32 -12.750 -6.552 -5.297 262 HB2 MET 32 HB2 MET 32 -10.516 -4.709 -4.420 263 HB3 MET 32 HB3 MET 32 -12.191 -4.571 -3.906 264 HG2 MET 32 HG2 MET 32 -10.525 -7.024 -3.428 265 HG3 MET 32 HG3 MET 32 -10.624 -5.685 -2.287 266 HE1 MET 32 HE1 MET 32 -14.374 -5.720 -1.257 267 HE2 MET 32 HE2 MET 32 -12.785 -5.013 -0.957 268 HE3 MET 32 HE3 MET 32 -13.596 -4.744 -2.502 269 H GLY 33 H GLY 33 -10.724 -5.562 -7.715 270 HA2 GLY 33 HA1 GLY 33 -11.204 -4.346 -9.620 271 HA3 GLY 33 HA2 GLY 33 -12.730 -3.865 -8.893 272 H ASN 34 H ASN 34 -9.912 -3.362 -7.015 273 HA ASN 34 HA ASN 34 -10.439 -0.550 -6.916 274 HB2 ASN 34 HB2 ASN 34 -8.217 -2.201 -5.712 275 HB3 ASN 34 HB3 ASN 34 -8.484 -0.498 -5.376 276 HD21 ASN 34 1HD2 ASN 34 -8.633 -3.130 -3.854 277 HD22 ASN 34 2HD2 ASN 34 -10.112 -2.997 -2.970 278 H LEU 35 H LEU 35 -8.690 1.040 -7.097 279 HA LEU 35 HA LEU 35 -6.801 0.408 -9.269 280 HB2 LEU 35 HB2 LEU 35 -8.094 3.059 -8.599 281 HB3 LEU 35 HB3 LEU 35 -6.844 2.835 -9.806 282 HG LEU 35 HG LEU 35 -9.602 1.606 -9.905 283 HD11 LEU 35 2HD1 LEU 35 -9.967 3.157 -11.774 284 HD12 LEU 35 1HD1 LEU 35 -8.401 3.901 -11.446 285 HD13 LEU 35 3HD1 LEU 35 -9.694 4.001 -10.250 286 HD21 LEU 35 3HD2 LEU 35 -7.354 1.589 -11.915 287 HD22 LEU 35 2HD2 LEU 35 -8.982 0.969 -12.188 288 HD23 LEU 35 1HD2 LEU 35 -7.937 0.205 -10.990 289 H ILE 36 H ILE 36 -5.077 -0.163 -8.033 290 HA ILE 36 HA ILE 36 -4.331 1.632 -5.828 291 HB ILE 36 HB ILE 36 -4.982 -0.662 -5.150 292 HG12 ILE 36 2HG1 ILE 36 -2.054 -0.050 -4.725 293 HG13 ILE 36 3HG1 ILE 36 -3.380 0.668 -3.821 294 HG21 ILE 36 2HG2 ILE 36 -4.243 -1.870 -7.126 295 HG22 ILE 36 1HG2 ILE 36 -3.514 -2.548 -5.669 296 HG23 ILE 36 3HG2 ILE 36 -2.559 -1.512 -6.732 297 HD11 ILE 36 3HD1 ILE 36 -3.979 -1.542 -2.963 298 HD12 ILE 36 2HD1 ILE 36 -2.323 -1.098 -2.550 299 HD13 ILE 36 1HD1 ILE 36 -2.629 -2.246 -3.853 300 H LYS 37 H LYS 37 -2.258 2.340 -5.644 301 HA LYS 37 HA LYS 37 -0.379 1.540 -7.768 302 HB2 LYS 37 HB2 LYS 37 -0.554 4.170 -6.280 303 HB3 LYS 37 HB3 LYS 37 0.698 3.753 -7.444 304 HG2 LYS 37 HG2 LYS 37 -2.253 4.013 -8.024 305 HG3 LYS 37 HG3 LYS 37 -0.995 5.173 -8.457 306 HD2 LYS 37 HD2 LYS 37 -1.003 2.312 -9.404 307 HD3 LYS 37 HD3 LYS 37 -1.751 3.629 -10.306 308 HE2 LYS 37 HE2 LYS 37 1.131 3.686 -9.445 309 HE3 LYS 37 HE3 LYS 37 0.611 2.982 -10.978 310 HZ1 LYS 37 HZ1 LYS 37 0.110 5.795 -10.131 311 HZ2 LYS 37 HZ2 LYS 37 -0.315 5.100 -11.622 312 HZ3 LYS 37 HZ3 LYS 37 1.317 5.298 -11.217 313 H VAL 38 H VAL 38 0.875 0.031 -6.886 314 HA VAL 38 HA VAL 38 1.602 0.227 -4.062 315 HB VAL 38 HB VAL 38 2.184 -2.025 -5.988 316 HG11 VAL 38 2HG1 VAL 38 2.525 -3.346 -3.954 317 HG12 VAL 38 1HG1 VAL 38 2.239 -1.907 -2.976 318 HG13 VAL 38 3HG1 VAL 38 3.643 -1.983 -4.039 319 HG21 VAL 38 3HG2 VAL 38 -0.222 -1.688 -5.778 320 HG22 VAL 38 2HG2 VAL 38 -0.082 -1.741 -4.019 321 HG23 VAL 38 1HG2 VAL 38 0.283 -3.177 -4.978 322 H GLU 39 H GLU 39 3.421 1.133 -3.490 323 HA GLU 39 HA GLU 39 5.544 1.559 -5.450 324 HB2 GLU 39 HB2 GLU 39 4.705 3.491 -4.199 325 HB3 GLU 39 HB3 GLU 39 5.083 2.694 -2.681 326 HG2 GLU 39 HG2 GLU 39 7.426 2.838 -3.115 327 HG3 GLU 39 HG3 GLU 39 7.133 3.435 -4.749 328 H THR 40 H THR 40 7.730 0.997 -4.997 329 HA THR 40 HA THR 40 8.003 -1.094 -2.952 330 HB THR 40 HB THR 40 9.800 -2.016 -4.589 331 HG1 THR 40 HG1 THR 40 9.234 -1.570 -6.796 332 HG21 THR 40 3HG2 THR 40 7.751 -3.212 -4.027 333 HG22 THR 40 1HG2 THR 40 8.101 -3.370 -5.746 334 HG23 THR 40 2HG2 THR 40 6.850 -2.254 -5.202 335 H GLN 41 H GLN 41 9.194 -0.302 -1.368 336 HA GLN 41 HA GLN 41 11.690 1.132 -2.051 337 HB2 GLN 41 HB2 GLN 41 10.253 2.602 -0.804 338 HB3 GLN 41 HB3 GLN 41 9.890 1.349 0.372 339 HG2 GLN 41 HG2 GLN 41 12.005 1.507 1.361 340 HG3 GLN 41 HG3 GLN 41 12.676 2.386 -0.011 341 HE21 GLN 41 1HE2 GLN 41 13.409 4.004 1.399 342 HE22 GLN 41 2HE2 GLN 41 12.340 5.172 2.070 343 H GLY 42 H GLY 42 13.569 0.493 -0.956 344 HA2 GLY 42 HA1 GLY 42 13.386 -1.824 0.817 345 HA3 GLY 42 HA2 GLY 42 14.266 -2.036 -0.691 346 H ALA 43 H ALA 43 16.035 -0.495 -1.108 347 HA ALA 43 HA ALA 43 17.451 0.021 1.419 348 HB1 ALA 43 HB1 ALA 43 18.600 -0.392 -1.341 349 HB2 ALA 43 HB2 ALA 43 19.521 -0.149 0.144 350 HB3 ALA 43 HB3 ALA 43 18.539 -1.599 -0.056 351 H THR 44 H THR 44 16.296 2.018 1.642 352 HA THR 44 HA THR 44 16.315 4.282 1.727 353 HB THR 44 HB THR 44 18.710 4.121 -0.110 354 HG1 THR 44 HG1 THR 44 19.419 3.190 1.697 355 HG21 THR 44 3HG2 THR 44 19.238 6.361 0.758 356 HG22 THR 44 1HG2 THR 44 17.714 6.370 1.647 357 HG23 THR 44 2HG2 THR 44 17.707 6.348 -0.117 358 H GLY 45 H GLY 45 16.511 2.847 -1.488 359 HA2 GLY 45 HA1 GLY 45 15.483 5.318 -2.675 360 HA3 GLY 45 HA2 GLY 45 16.202 3.973 -3.545 361 H ILE 46 H ILE 46 14.007 4.925 -4.593 362 HA ILE 46 HA ILE 46 11.872 3.055 -3.790 363 HB ILE 46 HB ILE 46 11.549 5.753 -5.131 364 HG12 ILE 46 2HG1 ILE 46 12.209 5.930 -2.737 365 HG13 ILE 46 3HG1 ILE 46 10.594 6.555 -3.053 366 HG21 ILE 46 2HG2 ILE 46 9.845 4.213 -5.829 367 HG22 ILE 46 1HG2 ILE 46 9.144 5.388 -4.715 368 HG23 ILE 46 3HG2 ILE 46 9.520 3.758 -4.157 369 HD11 ILE 46 3HD1 ILE 46 9.637 4.473 -2.194 370 HD12 ILE 46 2HD1 ILE 46 10.638 5.294 -0.995 371 HD13 ILE 46 1HD1 ILE 46 11.262 3.881 -1.847 372 H GLU 47 H GLU 47 11.325 1.596 -5.320 373 HA GLU 47 HA GLU 47 12.545 1.852 -7.943 374 HB2 GLU 47 HB2 GLU 47 10.913 -0.360 -6.699 375 HB3 GLU 47 HB3 GLU 47 11.564 -0.420 -8.333 376 HG2 GLU 47 HG2 GLU 47 13.840 -0.140 -7.370 377 HG3 GLU 47 HG3 GLU 47 13.122 -0.274 -5.764 378 H ASN 48 H ASN 48 9.240 0.837 -7.027 379 HA ASN 48 HA ASN 48 8.207 2.071 -9.426 380 HB2 ASN 48 HB2 ASN 48 7.311 -0.098 -8.390 381 HB3 ASN 48 HB3 ASN 48 6.532 0.933 -7.192 382 HD21 ASN 48 1HD2 ASN 48 4.450 0.513 -7.802 383 HD22 ASN 48 2HD2 ASN 48 3.795 0.987 -9.333 384 H GLU 49 H GLU 49 9.070 4.110 -8.752 385 HA GLU 49 HA GLU 49 8.353 5.598 -6.535 386 HB2 GLU 49 HB2 GLU 49 10.184 6.145 -8.039 387 HB3 GLU 49 HB3 GLU 49 9.048 6.499 -9.329 388 HG2 GLU 49 HG2 GLU 49 8.149 8.353 -7.949 389 HG3 GLU 49 HG3 GLU 49 9.425 8.034 -6.772 390 H LEU 50 H LEU 50 6.430 6.282 -5.866 391 HA LEU 50 HA LEU 50 4.273 6.785 -7.744 392 HB2 LEU 50 HB2 LEU 50 4.411 7.230 -4.759 393 HB3 LEU 50 HB3 LEU 50 2.966 7.360 -5.742 394 HG LEU 50 HG LEU 50 4.532 4.843 -5.184 395 HD11 LEU 50 2HD1 LEU 50 1.783 5.747 -4.340 396 HD12 LEU 50 1HD1 LEU 50 3.201 5.594 -3.301 397 HD13 LEU 50 3HD1 LEU 50 2.481 4.158 -4.028 398 HD21 LEU 50 3HD2 LEU 50 2.810 3.682 -6.442 399 HD22 LEU 50 2HD2 LEU 50 3.634 4.855 -7.465 400 HD23 LEU 50 1HD2 LEU 50 2.031 5.217 -6.826 401 H THR 51 H THR 51 3.278 8.847 -8.034 402 HA THR 51 HA THR 51 5.079 11.084 -7.378 403 HB THR 51 HB THR 51 4.065 12.303 -9.262 404 HG1 THR 51 HG1 THR 51 2.469 9.976 -9.380 405 HG21 THR 51 3HG2 THR 51 5.156 9.580 -9.986 406 HG22 THR 51 1HG2 THR 51 6.096 11.040 -9.675 407 HG23 THR 51 2HG2 THR 51 5.043 10.953 -11.089 408 H GLU 52 H GLU 52 3.821 13.241 -7.226 409 HA GLU 52 HA GLU 52 2.203 13.067 -4.954 410 HB2 GLU 52 HB2 GLU 52 2.718 15.312 -6.884 411 HB3 GLU 52 HB3 GLU 52 1.686 15.510 -5.472 412 HG2 GLU 52 HG2 GLU 52 4.575 14.674 -5.437 413 HG3 GLU 52 HG3 GLU 52 3.958 16.281 -5.050 414 H LYS 53 H LYS 53 1.336 13.183 -8.355 415 HA LYS 53 HA LYS 53 -1.395 13.699 -8.072 416 HB2 LYS 53 HB2 LYS 53 -0.286 13.599 -10.264 417 HB3 LYS 53 HB3 LYS 53 -0.059 11.865 -10.072 418 HG2 LYS 53 HG2 LYS 53 -2.483 11.550 -10.037 419 HG3 LYS 53 HG3 LYS 53 -2.709 13.288 -10.235 420 HD2 LYS 53 HD2 LYS 53 -2.977 12.156 -12.363 421 HD3 LYS 53 HD3 LYS 53 -1.536 13.174 -12.393 422 HE2 LYS 53 HE2 LYS 53 -0.114 11.257 -12.068 423 HE3 LYS 53 HE3 LYS 53 -1.515 10.209 -11.842 424 HZ1 LYS 53 HZ1 LYS 53 -0.512 10.076 -14.087 425 HZ2 LYS 53 HZ2 LYS 53 -0.943 11.695 -14.348 426 HZ3 LYS 53 HZ3 LYS 53 -2.149 10.529 -14.106 427 H ASP 54 H ASP 54 0.331 10.584 -8.071 428 HA ASP 54 HA ASP 54 -1.890 8.931 -7.675 429 HB2 ASP 54 HB2 ASP 54 0.910 8.452 -6.635 430 HB3 ASP 54 HB3 ASP 54 -0.322 7.230 -6.923 431 H VAL 55 H VAL 55 0.298 10.431 -5.373 432 HA VAL 55 HA VAL 55 -0.735 9.311 -3.033 433 HB VAL 55 HB VAL 55 0.579 12.010 -3.389 434 HG11 VAL 55 2HG1 VAL 55 0.252 10.298 -0.930 435 HG12 VAL 55 1HG1 VAL 55 -0.563 11.827 -1.254 436 HG13 VAL 55 3HG1 VAL 55 1.185 11.792 -1.028 437 HG21 VAL 55 3HG2 VAL 55 2.650 10.849 -2.772 438 HG22 VAL 55 2HG2 VAL 55 1.959 10.200 -4.260 439 HG23 VAL 55 1HG2 VAL 55 1.779 9.316 -2.744 440 H ASN 56 H ASN 56 -1.732 12.178 -4.841 441 HA ASN 56 HA ASN 56 -3.610 12.916 -2.751 442 HB2 ASN 56 HB2 ASN 56 -2.784 14.210 -5.333 443 HB3 ASN 56 HB3 ASN 56 -4.193 14.771 -4.439 444 HD21 ASN 56 1HD2 ASN 56 -0.731 14.496 -4.455 445 HD22 ASN 56 2HD2 ASN 56 -0.441 15.579 -3.133 446 H ILE 57 H ILE 57 -3.643 10.946 -5.493 447 HA ILE 57 HA ILE 57 -6.514 11.197 -5.873 448 HB ILE 57 HB ILE 57 -4.466 9.392 -7.160 449 HG12 ILE 57 2HG1 ILE 57 -4.347 11.714 -7.878 450 HG13 ILE 57 3HG1 ILE 57 -4.976 10.710 -9.179 451 HG21 ILE 57 2HG2 ILE 57 -6.247 8.685 -8.697 452 HG22 ILE 57 1HG2 ILE 57 -7.422 9.563 -7.718 453 HG23 ILE 57 3HG2 ILE 57 -6.560 8.183 -7.036 454 HD11 ILE 57 3HD1 ILE 57 -6.618 12.450 -7.354 455 HD12 ILE 57 2HD1 ILE 57 -7.233 11.469 -8.683 456 HD13 ILE 57 1HD1 ILE 57 -6.160 12.829 -9.013 457 H GLY 58 H GLY 58 -4.175 8.786 -4.722 458 HA2 GLY 58 HA1 GLY 58 -6.006 6.761 -4.082 459 HA3 GLY 58 HA2 GLY 58 -4.410 6.948 -3.375 460 H GLU 59 H GLU 59 -7.279 6.332 -2.407 461 HA GLU 59 HA GLU 59 -7.957 8.439 -0.598 462 HB2 GLU 59 HB2 GLU 59 -8.866 5.551 -0.565 463 HB3 GLU 59 HB3 GLU 59 -9.658 6.909 0.217 464 HG2 GLU 59 HG2 GLU 59 -9.276 6.844 -2.750 465 HG3 GLU 59 HG3 GLU 59 -10.617 6.002 -1.982 466 H VAL 60 H VAL 60 -7.100 5.063 0.082 467 HA VAL 60 HA VAL 60 -6.147 5.889 2.718 468 HB VAL 60 HB VAL 60 -6.318 3.458 3.279 469 HG11 VAL 60 2HG1 VAL 60 -8.779 3.407 3.362 470 HG12 VAL 60 1HG1 VAL 60 -8.829 4.774 2.248 471 HG13 VAL 60 3HG1 VAL 60 -8.126 4.969 3.853 472 HG21 VAL 60 3HG2 VAL 60 -7.578 3.281 0.542 473 HG22 VAL 60 2HG2 VAL 60 -7.605 2.006 1.761 474 HG23 VAL 60 1HG2 VAL 60 -6.073 2.519 1.055 475 H VAL 61 H VAL 61 -4.182 5.091 3.554 476 HA VAL 61 HA VAL 61 -2.239 4.364 1.465 477 HB VAL 61 HB VAL 61 -1.656 5.623 4.146 478 HG11 VAL 61 2HG1 VAL 61 0.542 6.095 3.131 479 HG12 VAL 61 1HG1 VAL 61 0.053 5.182 1.703 480 HG13 VAL 61 3HG1 VAL 61 0.209 4.367 3.261 481 HG21 VAL 61 3HG2 VAL 61 -1.319 7.717 2.949 482 HG22 VAL 61 2HG2 VAL 61 -2.972 7.142 2.743 483 HG23 VAL 61 1HG2 VAL 61 -1.800 6.945 1.439 484 H ILE 62 H ILE 62 -1.653 2.317 1.504 485 HA ILE 62 HA ILE 62 -1.761 0.843 4.045 486 HB ILE 62 HB ILE 62 -1.641 -0.180 1.201 487 HG12 ILE 62 2HG1 ILE 62 -3.877 -0.253 3.243 488 HG13 ILE 62 3HG1 ILE 62 -3.812 0.800 1.833 489 HG21 ILE 62 2HG2 ILE 62 -1.955 -2.404 2.154 490 HG22 ILE 62 1HG2 ILE 62 -1.876 -1.726 3.780 491 HG23 ILE 62 3HG2 ILE 62 -0.459 -1.669 2.731 492 HD11 ILE 62 3HD1 ILE 62 -3.973 -2.206 1.803 493 HD12 ILE 62 2HD1 ILE 62 -3.868 -1.171 0.377 494 HD13 ILE 62 1HD1 ILE 62 -5.279 -1.079 1.433 495 H PHE 63 H PHE 63 0.093 0.338 5.039 496 HA PHE 63 HA PHE 63 2.560 0.357 3.428 497 HB2 PHE 63 HB2 PHE 63 2.104 1.018 6.329 498 HB3 PHE 63 HB3 PHE 63 3.703 0.629 5.705 499 HD1 PHE 63 HD2 PHE 63 4.232 1.977 3.426 500 HD2 PHE 63 HD1 PHE 63 1.629 3.234 6.542 501 HE1 PHE 63 HE2 PHE 63 4.539 4.312 2.730 502 HE2 PHE 63 HE1 PHE 63 1.924 5.577 5.847 503 HZ PHE 63 HZ PHE 63 3.383 6.117 3.940 504 H ALA 64 H ALA 64 2.795 -1.706 2.815 505 HA ALA 64 HA ALA 64 2.832 -3.775 4.900 506 HB1 ALA 64 HB1 ALA 64 1.579 -4.355 2.890 507 HB2 ALA 64 HB2 ALA 64 2.994 -4.020 1.891 508 HB3 ALA 64 HB3 ALA 64 3.016 -5.369 3.028 509 H VAL 65 H VAL 65 4.757 -3.380 5.945 510 HA VAL 65 HA VAL 65 7.130 -3.183 4.222 511 HB VAL 65 HB VAL 65 8.064 -1.485 5.784 512 HG11 VAL 65 2HG1 VAL 65 6.722 0.382 4.901 513 HG12 VAL 65 1HG1 VAL 65 5.496 -0.772 4.374 514 HG13 VAL 65 3HG1 VAL 65 7.110 -0.812 3.662 515 HG21 VAL 65 3HG2 VAL 65 6.528 -0.267 7.257 516 HG22 VAL 65 2HG2 VAL 65 6.667 -1.960 7.733 517 HG23 VAL 65 1HG2 VAL 65 5.241 -1.406 6.857 518 H ASP 66 H ASP 66 9.078 -3.746 5.059 519 HA ASP 66 HA ASP 66 9.087 -5.420 7.485 520 HB2 ASP 66 HB2 ASP 66 9.733 -6.847 5.762 521 HB3 ASP 66 HB3 ASP 66 10.516 -5.564 4.855 522 H THR 67 H THR 67 10.355 -2.691 5.835 523 HA THR 67 HA THR 67 11.960 -2.001 8.197 524 HB THR 67 HB THR 67 13.426 -2.619 6.265 525 HG1 THR 67 HG1 THR 67 14.798 -1.091 6.845 526 HG21 THR 67 3HG2 THR 67 12.176 -0.202 4.951 527 HG22 THR 67 1HG2 THR 67 11.997 -1.879 4.432 528 HG23 THR 67 2HG2 THR 67 13.574 -1.093 4.348 529 H LYS 68 H LYS 68 12.530 0.638 7.494 530 HA LYS 68 HA LYS 68 9.885 1.805 7.803 531 HB2 LYS 68 HB2 LYS 68 11.035 3.850 8.374 532 HB3 LYS 68 HB3 LYS 68 11.794 2.519 9.234 533 HG2 LYS 68 HG2 LYS 68 13.601 2.472 7.611 534 HG3 LYS 68 HG3 LYS 68 12.831 3.782 6.710 535 HD2 LYS 68 HD2 LYS 68 13.078 5.255 8.644 536 HD3 LYS 68 HD3 LYS 68 13.831 3.942 9.553 537 HE2 LYS 68 HE2 LYS 68 15.644 3.856 7.910 538 HE3 LYS 68 HE3 LYS 68 14.897 5.180 7.017 539 HZ1 LYS 68 HZ1 LYS 68 15.176 6.591 8.969 540 HZ2 LYS 68 HZ2 LYS 68 16.662 5.987 8.426 541 HZ3 LYS 68 HZ3 LYS 68 15.927 5.316 9.801 542 H VAL 69 H VAL 69 9.437 3.885 6.585 543 HA VAL 69 HA VAL 69 10.426 3.694 3.822 544 HB VAL 69 HB VAL 69 8.290 4.330 2.935 545 HG11 VAL 69 2HG1 VAL 69 6.918 2.395 3.511 546 HG12 VAL 69 1HG1 VAL 69 7.942 2.091 4.914 547 HG13 VAL 69 3HG1 VAL 69 8.610 1.954 3.287 548 HG21 VAL 69 3HG2 VAL 69 6.310 4.645 4.300 549 HG22 VAL 69 2HG2 VAL 69 7.571 5.797 4.739 550 HG23 VAL 69 1HG2 VAL 69 7.267 4.392 5.763 551 H ARG 70 H ARG 70 10.400 5.687 2.633 552 HA ARG 70 HA ARG 70 10.967 7.971 4.369 553 HB2 ARG 70 HB2 ARG 70 11.549 7.410 1.468 554 HB3 ARG 70 HB3 ARG 70 11.846 8.975 2.210 555 HG2 ARG 70 HG2 ARG 70 13.449 8.040 3.713 556 HG3 ARG 70 HG3 ARG 70 13.052 6.400 3.197 557 HD2 ARG 70 HD2 ARG 70 15.144 7.249 2.194 558 HD3 ARG 70 HD3 ARG 70 13.922 6.831 0.996 559 HE ARG 70 HE ARG 70 13.933 9.614 1.769 560 HH11 ARG 70 2HH1 ARG 70 15.233 7.201 -0.424 561 HH12 ARG 70 1HH1 ARG 70 15.678 8.355 -1.646 562 HH21 ARG 70 2HH2 ARG 70 14.493 11.137 0.168 563 HH22 ARG 70 1HH2 ARG 70 15.270 10.608 -1.298 564 H ASN 71 H ASN 71 8.751 6.946 1.872 565 HA ASN 71 HA ASN 71 7.840 9.586 1.281 566 HB2 ASN 71 HB2 ASN 71 7.015 6.864 0.347 567 HB3 ASN 71 HB3 ASN 71 6.056 8.288 -0.057 568 HD21 ASN 71 1HD2 ASN 71 7.501 6.580 -1.871 569 HD22 ASN 71 2HD2 ASN 71 8.665 7.597 -2.659 570 H LYS 72 H LYS 72 7.154 7.625 3.866 571 HA LYS 72 HA LYS 72 4.378 7.887 4.203 572 HB2 LYS 72 HB2 LYS 72 5.800 6.469 5.664 573 HB3 LYS 72 HB3 LYS 72 6.500 7.921 6.368 574 HG2 LYS 72 HG2 LYS 72 4.264 8.569 7.184 575 HG3 LYS 72 HG3 LYS 72 3.618 7.062 6.535 576 HD2 LYS 72 HD2 LYS 72 5.817 7.214 8.592 577 HD3 LYS 72 HD3 LYS 72 4.110 7.015 8.985 578 HE2 LYS 72 HE2 LYS 72 4.103 4.947 7.586 579 HE3 LYS 72 HE3 LYS 72 5.847 5.127 7.401 580 HZ1 LYS 72 HZ1 LYS 72 4.470 4.886 10.022 581 HZ2 LYS 72 HZ2 LYS 72 6.141 4.859 9.744 582 HZ3 LYS 72 HZ3 LYS 72 5.168 3.577 9.200 583 H GLU 73 H GLU 73 6.972 10.103 4.513 584 HA GLU 73 HA GLU 73 6.156 12.226 5.945 585 HB2 GLU 73 HB2 GLU 73 8.214 12.028 4.572 586 HB3 GLU 73 HB3 GLU 73 7.258 12.348 3.135 587 HG2 GLU 73 HG2 GLU 73 8.356 14.345 3.732 588 HG3 GLU 73 HG3 GLU 73 6.648 14.542 4.118 589 H ARG 74 H ARG 74 5.092 11.624 2.559 590 HA ARG 74 HA ARG 74 3.296 13.874 2.680 591 HB2 ARG 74 HB2 ARG 74 2.778 13.304 0.368 592 HB3 ARG 74 HB3 ARG 74 4.514 13.367 0.637 593 HG2 ARG 74 HG2 ARG 74 4.266 10.792 0.991 594 HG3 ARG 74 HG3 ARG 74 2.760 11.018 0.087 595 HD2 ARG 74 HD2 ARG 74 4.424 10.504 -1.518 596 HD3 ARG 74 HD3 ARG 74 4.132 12.235 -1.624 597 HE ARG 74 HE ARG 74 6.367 11.344 0.019 598 HH11 ARG 74 2HH1 ARG 74 5.226 12.882 -2.918 599 HH12 ARG 74 1HH1 ARG 74 6.810 13.473 -3.354 600 HH21 ARG 74 2HH2 ARG 74 8.427 12.168 -0.536 601 HH22 ARG 74 1HH2 ARG 74 8.605 13.090 -2.002 602 H PHE 75 H PHE 75 3.045 10.409 3.045 603 HA PHE 75 HA PHE 75 0.201 10.318 2.826 604 HB2 PHE 75 HB2 PHE 75 2.078 8.351 4.145 605 HB3 PHE 75 HB3 PHE 75 0.423 8.042 3.644 606 HD1 PHE 75 HD2 PHE 75 0.147 8.926 0.996 607 HD2 PHE 75 HD1 PHE 75 3.586 7.259 2.852 608 HE1 PHE 75 HE2 PHE 75 0.971 8.186 -1.201 609 HE2 PHE 75 HE1 PHE 75 4.422 6.518 0.667 610 HZ PHE 75 HZ PHE 75 3.112 6.980 -1.370 611 H ASP 76 H ASP 76 2.227 11.569 5.156 612 HA ASP 76 HA ASP 76 1.134 10.677 7.574 613 HB2 ASP 76 HB2 ASP 76 3.267 11.851 7.456 614 HB3 ASP 76 HB3 ASP 76 2.450 13.321 6.935 615 H GLY 77 H GLY 77 0.242 13.429 5.527 616 HA2 GLY 77 HA1 GLY 77 -1.835 14.279 7.356 617 HA3 GLY 77 HA2 GLY 77 -1.492 14.959 5.772 618 H LYS 78 H LYS 78 -1.793 11.570 5.894 619 HA LYS 78 HA LYS 78 -4.549 11.712 4.869 620 HB2 LYS 78 HB2 LYS 78 -2.246 10.040 3.832 621 HB3 LYS 78 HB3 LYS 78 -3.913 9.880 3.296 622 HG2 LYS 78 HG2 LYS 78 -3.901 11.990 2.264 623 HG3 LYS 78 HG3 LYS 78 -2.423 12.478 3.094 624 HD2 LYS 78 HD2 LYS 78 -2.032 11.940 0.726 625 HD3 LYS 78 HD3 LYS 78 -1.138 10.876 1.809 626 HE2 LYS 78 HE2 LYS 78 -2.081 9.576 0.026 627 HE3 LYS 78 HE3 LYS 78 -2.900 9.174 1.527 628 HZ1 LYS 78 HZ1 LYS 78 -3.906 10.819 -0.717 629 HZ2 LYS 78 HZ2 LYS 78 -4.656 10.824 0.798 630 HZ3 LYS 78 HZ3 LYS 78 -4.573 9.391 -0.104 631 H VAL 79 H VAL 79 -5.169 9.094 4.650 632 HA VAL 79 HA VAL 79 -5.090 8.222 7.426 633 HB VAL 79 HB VAL 79 -7.280 8.243 6.466 634 HG11 VAL 79 2HG1 VAL 79 -6.199 6.423 4.328 635 HG12 VAL 79 1HG1 VAL 79 -6.695 8.103 4.124 636 HG13 VAL 79 3HG1 VAL 79 -7.892 6.874 4.534 637 HG21 VAL 79 3HG2 VAL 79 -7.982 5.925 6.795 638 HG22 VAL 79 2HG2 VAL 79 -6.823 6.431 8.024 639 HG23 VAL 79 1HG2 VAL 79 -6.302 5.401 6.690 640 H VAL 80 H VAL 80 -3.959 6.523 8.157 641 HA VAL 80 HA VAL 80 -2.354 5.064 6.155 642 HB VAL 80 HB VAL 80 -1.488 6.053 8.881 643 HG11 VAL 80 2HG1 VAL 80 0.728 5.204 8.289 644 HG12 VAL 80 1HG1 VAL 80 0.064 4.525 6.802 645 HG13 VAL 80 3HG1 VAL 80 -0.464 3.906 8.366 646 HG21 VAL 80 3HG2 VAL 80 -0.576 6.872 6.126 647 HG22 VAL 80 2HG2 VAL 80 0.034 7.498 7.658 648 HG23 VAL 80 1HG2 VAL 80 -1.634 7.814 7.178 649 H LEU 81 H LEU 81 -2.286 2.913 6.299 650 HA LEU 81 HA LEU 81 -2.934 1.612 8.853 651 HB2 LEU 81 HB2 LEU 81 -4.877 1.501 7.286 652 HB3 LEU 81 HB3 LEU 81 -3.861 0.676 6.125 653 HG LEU 81 HG LEU 81 -5.485 -0.730 7.524 654 HD11 LEU 81 2HD1 LEU 81 -3.929 -2.601 7.674 655 HD12 LEU 81 1HD1 LEU 81 -2.573 -1.493 7.466 656 HD13 LEU 81 3HD1 LEU 81 -3.734 -1.719 6.158 657 HD21 LEU 81 3HD2 LEU 81 -5.029 0.256 9.690 658 HD22 LEU 81 2HD2 LEU 81 -3.345 -0.263 9.592 659 HD23 LEU 81 1HD2 LEU 81 -4.633 -1.463 9.698 660 H GLU 82 H GLU 82 -1.194 0.487 9.486 661 HA GLU 82 HA GLU 82 0.721 -0.360 7.427 662 HB2 GLU 82 HB2 GLU 82 1.155 0.179 10.360 663 HB3 GLU 82 HB3 GLU 82 2.393 -0.383 9.248 664 HG2 GLU 82 HG2 GLU 82 2.073 1.682 7.924 665 HG3 GLU 82 HG3 GLU 82 0.944 2.248 9.155 666 H VAL 83 H VAL 83 1.377 -2.388 7.239 667 HA VAL 83 HA VAL 83 0.784 -4.359 9.321 668 HB VAL 83 HB VAL 83 0.079 -6.018 7.575 669 HG11 VAL 83 2HG1 VAL 83 -2.221 -5.238 7.372 670 HG12 VAL 83 1HG1 VAL 83 -1.715 -3.607 7.809 671 HG13 VAL 83 3HG1 VAL 83 -1.586 -4.913 8.986 672 HG21 VAL 83 3HG2 VAL 83 1.021 -4.886 5.625 673 HG22 VAL 83 2HG2 VAL 83 -0.152 -3.583 5.810 674 HG23 VAL 83 1HG2 VAL 83 -0.699 -5.210 5.407 675 HA PRO 84 HA PRO 84 4.804 -5.970 8.130 676 HB2 PRO 84 HB2 PRO 84 4.348 -8.678 8.057 677 HB3 PRO 84 HB3 PRO 84 4.627 -7.765 9.544 678 HG2 PRO 84 HG2 PRO 84 2.056 -8.686 8.336 679 HG3 PRO 84 HG3 PRO 84 2.550 -8.664 10.039 680 HD2 PRO 84 HD2 PRO 84 0.896 -6.804 9.001 681 HD3 PRO 84 HD3 PRO 84 2.063 -6.420 10.282 682 H VAL 85 H VAL 85 5.897 -6.631 6.274 683 HA VAL 85 HA VAL 85 4.564 -6.184 3.855 684 HB VAL 85 HB VAL 85 6.977 -5.792 4.196 685 HG11 VAL 85 2HG1 VAL 85 8.555 -7.674 3.983 686 HG12 VAL 85 1HG1 VAL 85 7.195 -8.792 4.084 687 HG13 VAL 85 3HG1 VAL 85 7.583 -7.749 5.452 688 HG21 VAL 85 3HG2 VAL 85 7.742 -6.594 1.993 689 HG22 VAL 85 2HG2 VAL 85 6.142 -5.855 1.938 690 HG23 VAL 85 1HG2 VAL 85 6.304 -7.610 1.889 691 H SER 86 H SER 86 5.271 -9.168 5.533 692 HA SER 86 HA SER 86 4.707 -10.891 3.339 693 HB2 SER 86 HB2 SER 86 4.792 -11.510 6.298 694 HB3 SER 86 HB3 SER 86 4.883 -12.684 4.984 695 HG SER 86 HG SER 86 6.937 -11.830 6.026 696 H ALA 87 H ALA 87 2.707 -9.154 5.485 697 HA ALA 87 HA ALA 87 0.640 -11.007 5.926 698 HB1 ALA 87 HB1 ALA 87 0.432 -8.005 5.925 699 HB2 ALA 87 HB2 ALA 87 -0.686 -9.139 6.684 700 HB3 ALA 87 HB3 ALA 87 0.966 -8.995 7.283 701 HA PRO 88 HA PRO 88 -1.909 -8.781 2.435 702 HB2 PRO 88 HB2 PRO 88 0.190 -7.705 0.656 703 HB3 PRO 88 HB3 PRO 88 -1.317 -6.962 1.201 704 HG2 PRO 88 HG2 PRO 88 1.029 -6.143 2.158 705 HG3 PRO 88 HG3 PRO 88 -0.397 -6.255 3.207 706 HD2 PRO 88 HD2 PRO 88 1.914 -8.147 2.946 707 HD3 PRO 88 HD3 PRO 88 1.099 -7.564 4.412 708 H ILE 89 H ILE 89 0.901 -10.666 2.031 709 HA ILE 89 HA ILE 89 0.483 -11.609 -0.597 710 HB ILE 89 HB ILE 89 1.775 -13.020 1.747 711 HG12 ILE 89 2HG1 ILE 89 2.951 -11.392 -0.519 712 HG13 ILE 89 3HG1 ILE 89 2.851 -10.891 1.166 713 HG21 ILE 89 2HG2 ILE 89 2.867 -14.418 0.044 714 HG22 ILE 89 1HG2 ILE 89 1.907 -13.627 -1.206 715 HG23 ILE 89 3HG2 ILE 89 1.114 -14.609 0.026 716 HD11 ILE 89 3HD1 ILE 89 4.461 -13.199 0.098 717 HD12 ILE 89 2HD1 ILE 89 4.366 -12.700 1.788 718 HD13 ILE 89 1HD1 ILE 89 5.089 -11.625 0.590 719 H LYS 90 H LYS 90 -0.671 -12.706 2.561 720 HA LYS 90 HA LYS 90 -2.491 -14.561 1.217 721 HB2 LYS 90 HB2 LYS 90 -2.977 -15.057 3.813 722 HB3 LYS 90 HB3 LYS 90 -1.710 -15.852 2.894 723 HG2 LYS 90 HG2 LYS 90 -0.121 -14.113 3.738 724 HG3 LYS 90 HG3 LYS 90 -1.415 -13.537 4.793 725 HD2 LYS 90 HD2 LYS 90 -0.568 -16.416 4.793 726 HD3 LYS 90 HD3 LYS 90 0.303 -15.211 5.740 727 HE2 LYS 90 HE2 LYS 90 -2.662 -15.718 5.950 728 HE3 LYS 90 HE3 LYS 90 -1.456 -16.448 7.010 729 HZ1 LYS 90 HZ1 LYS 90 -0.748 -14.067 7.485 730 HZ2 LYS 90 HZ2 LYS 90 -2.211 -14.584 8.162 731 HZ3 LYS 90 HZ3 LYS 90 -2.221 -13.596 6.781 732 H ASP 91 H ASP 91 -2.561 -11.923 3.599 733 HA ASP 91 HA ASP 91 -5.474 -11.932 3.618 734 HB2 ASP 91 HB2 ASP 91 -3.534 -10.114 5.061 735 HB3 ASP 91 HB3 ASP 91 -5.259 -10.236 5.368 736 H ALA 92 H ALA 92 -4.456 -11.227 1.092 737 HA ALA 92 HA ALA 92 -3.732 -8.591 0.661 738 HB1 ALA 92 HB1 ALA 92 -4.313 -8.942 -1.658 739 HB2 ALA 92 HB2 ALA 92 -3.565 -10.400 -1.004 740 HB3 ALA 92 HB3 ALA 92 -5.312 -10.330 -1.227 741 H GLU 93 H GLU 93 -7.037 -9.950 0.397 742 HA GLU 93 HA GLU 93 -8.151 -7.347 -0.120 743 HB2 GLU 93 HB2 GLU 93 -9.741 -9.767 0.704 744 HB3 GLU 93 HB3 GLU 93 -10.255 -8.410 -0.286 745 HG2 GLU 93 HG2 GLU 93 -9.941 -9.877 -1.956 746 HG3 GLU 93 HG3 GLU 93 -8.267 -9.343 -1.817 747 H LYS 94 H LYS 94 -7.446 -9.231 2.652 748 HA LYS 94 HA LYS 94 -9.322 -8.003 4.430 749 HB2 LYS 94 HB2 LYS 94 -8.324 -10.242 4.824 750 HB3 LYS 94 HB3 LYS 94 -6.755 -9.483 5.045 751 HG2 LYS 94 HG2 LYS 94 -7.542 -8.334 7.011 752 HG3 LYS 94 HG3 LYS 94 -9.172 -8.970 6.763 753 HD2 LYS 94 HD2 LYS 94 -8.304 -11.253 7.027 754 HD3 LYS 94 HD3 LYS 94 -6.690 -10.597 7.313 755 HE2 LYS 94 HE2 LYS 94 -9.111 -9.970 8.988 756 HE3 LYS 94 HE3 LYS 94 -7.921 -11.208 9.384 757 HZ1 LYS 94 HZ1 LYS 94 -7.507 -9.121 10.544 758 HZ2 LYS 94 HZ2 LYS 94 -7.337 -8.310 9.066 759 HZ3 LYS 94 HZ3 LYS 94 -6.224 -9.512 9.507 760 H VAL 95 H VAL 95 -5.942 -7.537 3.589 761 HA VAL 95 HA VAL 95 -5.312 -5.450 5.352 762 HB VAL 95 HB VAL 95 -4.293 -6.012 2.559 763 HG11 VAL 95 2HG1 VAL 95 -3.833 -3.695 3.190 764 HG12 VAL 95 1HG1 VAL 95 -2.358 -4.661 3.135 765 HG13 VAL 95 3HG1 VAL 95 -3.087 -4.254 4.690 766 HG21 VAL 95 3HG2 VAL 95 -3.925 -7.837 4.114 767 HG22 VAL 95 2HG2 VAL 95 -3.197 -6.725 5.274 768 HG23 VAL 95 1HG2 VAL 95 -2.399 -7.036 3.734 769 H ILE 96 H ILE 96 -6.822 -5.437 2.163 770 HA ILE 96 HA ILE 96 -7.057 -2.664 1.806 771 HB ILE 96 HB ILE 96 -8.946 -4.836 0.875 772 HG12 ILE 96 2HG1 ILE 96 -6.620 -3.546 -0.564 773 HG13 ILE 96 3HG1 ILE 96 -6.573 -5.139 0.187 774 HG21 ILE 96 2HG2 ILE 96 -9.637 -3.251 -0.842 775 HG22 ILE 96 1HG2 ILE 96 -8.558 -2.030 -0.168 776 HG23 ILE 96 3HG2 ILE 96 -9.941 -2.599 0.768 777 HD11 ILE 96 3HD1 ILE 96 -8.323 -5.897 -1.339 778 HD12 ILE 96 2HD1 ILE 96 -6.897 -5.319 -2.200 779 HD13 ILE 96 1HD1 ILE 96 -8.338 -4.307 -2.102 780 H ASN 97 H ASN 97 -9.307 -5.018 3.242 781 HA ASN 97 HA ASN 97 -11.322 -3.187 3.925 782 HB2 ASN 97 HB2 ASN 97 -10.595 -5.932 4.864 783 HB3 ASN 97 HB3 ASN 97 -11.789 -5.010 5.772 784 HD21 ASN 97 1HD2 ASN 97 -11.069 -6.606 2.768 785 HD22 ASN 97 2HD2 ASN 97 -12.693 -6.614 2.157 786 H ALA 98 H ALA 98 -8.426 -4.221 5.627 787 HA ALA 98 HA ALA 98 -8.945 -3.051 8.117 788 HB1 ALA 98 HB1 ALA 98 -6.529 -3.126 8.469 789 HB2 ALA 98 HB2 ALA 98 -7.114 -4.624 7.743 790 HB3 ALA 98 HB3 ALA 98 -6.283 -3.428 6.749 791 H ALA 99 H ALA 99 -7.475 -1.715 5.188 792 HA ALA 99 HA ALA 99 -6.786 0.802 6.258 793 HB1 ALA 99 HB1 ALA 99 -6.597 1.542 3.947 794 HB2 ALA 99 HB2 ALA 99 -5.876 -0.055 4.147 795 HB3 ALA 99 HB3 ALA 99 -7.464 0.108 3.399 796 H LEU 100 H LEU 100 -9.660 -0.263 4.442 797 HA LEU 100 HA LEU 100 -11.048 2.179 4.565 798 HB2 LEU 100 HB2 LEU 100 -11.872 -0.671 4.164 799 HB3 LEU 100 HB3 LEU 100 -13.094 0.570 4.351 800 HG LEU 100 HG LEU 100 -12.671 0.054 2.001 801 HD11 LEU 100 2HD1 LEU 100 -12.323 2.341 1.205 802 HD12 LEU 100 1HD1 LEU 100 -11.749 2.804 2.806 803 HD13 LEU 100 3HD1 LEU 100 -13.420 2.286 2.584 804 HD21 LEU 100 3HD2 LEU 100 -9.890 1.100 2.481 805 HD22 LEU 100 2HD2 LEU 100 -10.580 0.641 0.923 806 HD23 LEU 100 1HD2 LEU 100 -10.316 -0.583 2.167 807 H ALA 101 H ALA 101 -10.630 -0.377 6.869 808 HA ALA 101 HA ALA 101 -12.777 0.238 8.596 809 HB1 ALA 101 HB1 ALA 101 -11.660 -1.148 10.222 810 HB2 ALA 101 HB2 ALA 101 -11.546 -1.900 8.631 811 HB3 ALA 101 HB3 ALA 101 -10.153 -1.057 9.310 812 H LEU 102 H LEU 102 -9.834 1.863 8.001 813 HA LEU 102 HA LEU 102 -9.681 3.115 10.605 814 HB2 LEU 102 HB2 LEU 102 -8.061 3.114 8.134 815 HB3 LEU 102 HB3 LEU 102 -8.007 4.586 9.082 816 HG LEU 102 HG LEU 102 -6.154 3.070 9.630 817 HD11 LEU 102 2HD1 LEU 102 -6.982 4.595 11.336 818 HD12 LEU 102 1HD1 LEU 102 -6.429 3.083 12.057 819 HD13 LEU 102 3HD1 LEU 102 -8.155 3.388 11.862 820 HD21 LEU 102 3HD2 LEU 102 -6.589 0.976 10.820 821 HD22 LEU 102 2HD2 LEU 102 -7.240 0.942 9.181 822 HD23 LEU 102 1HD2 LEU 102 -8.321 1.188 10.553 823 H ILE 103 H ILE 103 -11.533 3.625 7.844 824 HA ILE 103 HA ILE 103 -12.008 6.407 8.686 825 HB ILE 103 HB ILE 103 -12.778 6.879 6.347 826 HG12 ILE 103 2HG1 ILE 103 -11.357 4.278 5.726 827 HG13 ILE 103 3HG1 ILE 103 -13.099 4.528 5.640 828 HG21 ILE 103 2HG2 ILE 103 -10.510 7.172 5.451 829 HG22 ILE 103 1HG2 ILE 103 -9.885 6.119 6.722 830 HG23 ILE 103 3HG2 ILE 103 -10.631 7.661 7.142 831 HD11 ILE 103 3HD1 ILE 103 -12.765 6.188 3.879 832 HD12 ILE 103 2HD1 ILE 103 -12.095 4.618 3.439 833 HD13 ILE 103 1HD1 ILE 103 -11.024 5.918 3.961 834 H ASP 104 H ASP 104 -13.437 3.383 7.636 835 HA ASP 104 HA ASP 104 -16.026 4.305 8.663 836 HB2 ASP 104 HB2 ASP 104 -15.528 3.119 5.941 837 HB3 ASP 104 HB3 ASP 104 -17.101 3.023 6.718 838 H GLU 105 H GLU 105 -14.183 1.590 7.382 839 HA GLU 105 HA GLU 105 -13.996 -0.583 7.931 840 HB2 GLU 105 HB2 GLU 105 -14.204 -1.254 10.070 841 HB3 GLU 105 HB3 GLU 105 -14.498 0.445 10.388 842 HG2 GLU 105 HG2 GLU 105 -16.883 0.069 10.403 843 HG3 GLU 105 HG3 GLU 105 -16.643 -1.622 9.958 844 H LYS 106 H LYS 106 -16.672 0.989 7.005 845 HA LYS 106 HA LYS 106 -17.724 -1.428 5.800 846 HB2 LYS 106 HB2 LYS 106 -19.119 -1.084 7.818 847 HB3 LYS 106 HB3 LYS 106 -19.503 0.538 7.257 848 HG2 LYS 106 HG2 LYS 106 -20.525 -0.465 5.226 849 HG3 LYS 106 HG3 LYS 106 -20.249 -2.058 5.935 850 HD2 LYS 106 HD2 LYS 106 -21.619 -1.391 7.877 851 HD3 LYS 106 HD3 LYS 106 -21.956 0.148 7.081 852 HE2 LYS 106 HE2 LYS 106 -22.954 -1.094 5.190 853 HE3 LYS 106 HE3 LYS 106 -22.687 -2.599 6.070 854 HZ1 LYS 106 HZ1 LYS 106 -24.097 -1.683 7.867 855 HZ2 LYS 106 HZ2 LYS 106 -24.928 -1.903 6.405 856 HZ3 LYS 106 HZ3 LYS 106 -24.449 -0.349 6.876 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -16.100 -1.499 -4.802 2 H2 MET 1 H2 MET 1 -17.754 -1.315 -5.085 3 H3 MET 1 H3 MET 1 -16.876 -0.062 -4.352 4 HA MET 1 HA MET 1 -16.621 -1.035 -7.132 5 HB2 MET 1 HB2 MET 1 -17.655 1.515 -5.899 6 HB3 MET 1 HB3 MET 1 -17.136 1.442 -7.578 7 HG2 MET 1 HG2 MET 1 -19.281 -0.287 -6.370 8 HG3 MET 1 HG3 MET 1 -19.570 1.189 -7.288 9 HE1 MET 1 HE1 MET 1 -20.693 -1.712 -9.710 10 HE2 MET 1 HE2 MET 1 -20.842 -1.678 -7.953 11 HE3 MET 1 HE3 MET 1 -21.196 -0.231 -8.896 12 H LYS 2 H LYS 2 -15.333 0.887 -8.329 13 HA LYS 2 HA LYS 2 -12.680 0.369 -7.556 14 HB2 LYS 2 HB2 LYS 2 -13.660 2.498 -9.458 15 HB3 LYS 2 HB3 LYS 2 -12.029 1.848 -9.373 16 HG2 LYS 2 HG2 LYS 2 -12.955 -0.375 -9.993 17 HG3 LYS 2 HG3 LYS 2 -14.522 0.401 -10.230 18 HD2 LYS 2 HD2 LYS 2 -11.966 1.032 -11.704 19 HD3 LYS 2 HD3 LYS 2 -13.365 0.176 -12.354 20 HE2 LYS 2 HE2 LYS 2 -13.307 3.043 -11.415 21 HE3 LYS 2 HE3 LYS 2 -13.333 2.500 -13.092 22 HZ1 LYS 2 HZ1 LYS 2 -15.529 3.104 -12.482 23 HZ2 LYS 2 HZ2 LYS 2 -15.477 2.187 -11.066 24 HZ3 LYS 2 HZ3 LYS 2 -15.498 1.410 -12.573 25 H ARG 3 H ARG 3 -11.851 1.156 -5.722 26 HA ARG 3 HA ARG 3 -12.203 4.011 -5.142 27 HB2 ARG 3 HB2 ARG 3 -12.512 1.991 -3.444 28 HB3 ARG 3 HB3 ARG 3 -10.769 2.164 -3.288 29 HG2 ARG 3 HG2 ARG 3 -11.807 3.454 -1.575 30 HG3 ARG 3 HG3 ARG 3 -11.118 4.567 -2.764 31 HD2 ARG 3 HD2 ARG 3 -13.392 4.649 -3.836 32 HD3 ARG 3 HD3 ARG 3 -14.002 3.769 -2.436 33 HE ARG 3 HE ARG 3 -12.722 6.425 -2.269 34 HH11 ARG 3 2HH1 ARG 3 -15.142 4.102 -1.262 35 HH12 ARG 3 1HH1 ARG 3 -15.907 5.190 -0.142 36 HH21 ARG 3 2HH2 ARG 3 -13.703 7.855 -0.814 37 HH22 ARG 3 1HH2 ARG 3 -15.081 7.342 0.126 38 H LYS 4 H LYS 4 -10.200 5.110 -4.257 39 HA LYS 4 HA LYS 4 -7.913 4.444 -5.971 40 HB2 LYS 4 HB2 LYS 4 -8.189 6.935 -4.312 41 HB3 LYS 4 HB3 LYS 4 -7.228 6.688 -5.759 42 HG2 LYS 4 HG2 LYS 4 -10.230 6.787 -5.674 43 HG3 LYS 4 HG3 LYS 4 -9.183 8.129 -6.128 44 HD2 LYS 4 HD2 LYS 4 -8.310 6.747 -7.996 45 HD3 LYS 4 HD3 LYS 4 -9.467 5.486 -7.559 46 HE2 LYS 4 HE2 LYS 4 -11.300 7.108 -7.891 47 HE3 LYS 4 HE3 LYS 4 -10.119 8.302 -8.418 48 HZ1 LYS 4 HZ1 LYS 4 -9.497 6.710 -10.212 49 HZ2 LYS 4 HZ2 LYS 4 -11.072 7.327 -10.332 50 HZ3 LYS 4 HZ3 LYS 4 -10.825 5.754 -9.756 51 H ILE 5 H ILE 5 -6.432 3.161 -4.999 52 HA ILE 5 HA ILE 5 -5.868 3.667 -2.144 53 HB ILE 5 HB ILE 5 -5.693 1.010 -3.583 54 HG12 ILE 5 2HG1 ILE 5 -7.633 1.989 -1.472 55 HG13 ILE 5 3HG1 ILE 5 -8.015 1.682 -3.162 56 HG21 ILE 5 2HG2 ILE 5 -3.984 1.209 -1.876 57 HG22 ILE 5 1HG2 ILE 5 -5.234 0.084 -1.346 58 HG23 ILE 5 3HG2 ILE 5 -5.188 1.723 -0.695 59 HD11 ILE 5 3HD1 ILE 5 -7.135 -0.386 -1.153 60 HD12 ILE 5 2HD1 ILE 5 -7.543 -0.688 -2.842 61 HD13 ILE 5 1HD1 ILE 5 -8.784 -0.125 -1.723 62 H ILE 6 H ILE 6 -3.847 4.290 -1.700 63 HA ILE 6 HA ILE 6 -1.723 3.478 -3.567 64 HB ILE 6 HB ILE 6 -0.322 5.294 -2.694 65 HG12 ILE 6 2HG1 ILE 6 -1.573 5.461 -0.463 66 HG13 ILE 6 3HG1 ILE 6 -1.052 6.970 -1.199 67 HG21 ILE 6 2HG2 ILE 6 -2.976 6.194 -3.790 68 HG22 ILE 6 1HG2 ILE 6 -1.578 5.653 -4.718 69 HG23 ILE 6 3HG2 ILE 6 -1.496 7.152 -3.794 70 HD11 ILE 6 3HD1 ILE 6 -3.840 5.834 -1.303 71 HD12 ILE 6 2HD1 ILE 6 -3.314 7.362 -2.010 72 HD13 ILE 6 1HD1 ILE 6 -3.285 7.144 -0.260 73 H ALA 7 H ALA 7 -0.057 2.274 -2.810 74 HA ALA 7 HA ALA 7 0.007 1.698 0.064 75 HB1 ALA 7 HB1 ALA 7 -1.459 0.024 -0.935 76 HB2 ALA 7 HB2 ALA 7 -0.190 -0.419 -2.076 77 HB3 ALA 7 HB3 ALA 7 0.034 -0.709 -0.350 78 H VAL 8 H VAL 8 1.974 0.997 0.851 79 HA VAL 8 HA VAL 8 4.189 0.970 -1.092 80 HB VAL 8 HB VAL 8 4.300 2.016 1.744 81 HG11 VAL 8 2HG1 VAL 8 6.583 2.707 1.165 82 HG12 VAL 8 1HG1 VAL 8 6.418 1.915 -0.402 83 HG13 VAL 8 3HG1 VAL 8 6.386 0.957 1.079 84 HG21 VAL 8 3HG2 VAL 8 4.671 4.205 0.714 85 HG22 VAL 8 2HG2 VAL 8 3.109 3.534 0.245 86 HG23 VAL 8 1HG2 VAL 8 4.462 3.489 -0.885 87 H THR 9 H THR 9 5.250 -0.857 -1.169 88 HA THR 9 HA THR 9 5.137 -2.686 1.135 89 HB THR 9 HB THR 9 5.861 -4.422 -0.586 90 HG1 THR 9 HG1 THR 9 6.175 -2.371 -2.110 91 HG21 THR 9 3HG2 THR 9 3.595 -4.749 -1.430 92 HG22 THR 9 1HG2 THR 9 3.179 -3.092 -0.992 93 HG23 THR 9 2HG2 THR 9 3.561 -4.268 0.265 94 H ALA 10 H ALA 10 6.976 -3.125 2.197 95 HA ALA 10 HA ALA 10 9.563 -2.722 0.921 96 HB1 ALA 10 HB1 ALA 10 10.358 -1.159 2.607 97 HB2 ALA 10 HB2 ALA 10 8.968 -0.491 1.752 98 HB3 ALA 10 HB3 ALA 10 8.769 -1.156 3.373 99 H CYS 11 H CYS 11 11.259 -3.771 1.982 100 HA CYS 11 HA CYS 11 10.889 -4.883 4.611 101 HB2 CYS 11 HB2 CYS 11 9.756 -6.519 3.047 102 HB3 CYS 11 HB3 CYS 11 11.333 -6.804 2.316 103 HG CYS 11 HG CYS 11 11.693 -7.169 5.532 104 H ALA 12 H ALA 12 12.845 -5.465 5.573 105 HA ALA 12 HA ALA 12 15.197 -4.534 4.074 106 HB1 ALA 12 HB1 ALA 12 14.779 -4.824 7.047 107 HB2 ALA 12 HB2 ALA 12 16.245 -4.223 6.271 108 HB3 ALA 12 HB3 ALA 12 14.738 -3.320 6.127 109 H THR 13 H THR 13 14.096 -7.163 6.201 110 HA THR 13 HA THR 13 16.562 -8.623 5.668 111 HB THR 13 HB THR 13 14.231 -9.531 7.358 112 HG1 THR 13 HG1 THR 13 14.833 -7.896 8.585 113 HG21 THR 13 3HG2 THR 13 15.890 -10.957 8.427 114 HG22 THR 13 1HG2 THR 13 17.153 -10.302 7.384 115 HG23 THR 13 2HG2 THR 13 15.851 -11.269 6.691 116 H GLY 14 H GLY 14 13.078 -9.472 5.552 117 HA2 GLY 14 HA1 GLY 14 13.605 -11.591 3.648 118 HA3 GLY 14 HA2 GLY 14 12.034 -11.113 4.278 119 H VAL 15 H VAL 15 14.608 -9.957 2.137 120 HA VAL 15 HA VAL 15 13.342 -7.828 0.952 121 HB VAL 15 HB VAL 15 15.249 -9.726 -0.422 122 HG11 VAL 15 2HG1 VAL 15 14.170 -8.157 -1.955 123 HG12 VAL 15 1HG1 VAL 15 15.888 -7.801 -1.767 124 HG13 VAL 15 3HG1 VAL 15 14.686 -6.809 -0.941 125 HG21 VAL 15 3HG2 VAL 15 16.145 -8.991 1.716 126 HG22 VAL 15 2HG2 VAL 15 15.827 -7.310 1.290 127 HG23 VAL 15 1HG2 VAL 15 17.021 -8.239 0.384 128 H ALA 16 H ALA 16 13.021 -11.242 0.104 129 HA ALA 16 HA ALA 16 11.779 -10.923 -2.398 130 HB1 ALA 16 HB1 ALA 16 11.475 -13.168 -0.413 131 HB2 ALA 16 HB2 ALA 16 11.029 -13.232 -2.119 132 HB3 ALA 16 HB3 ALA 16 12.719 -13.037 -1.655 133 H HIS 17 H HIS 17 10.540 -10.527 0.803 134 HA HIS 17 HA HIS 17 7.796 -11.045 0.266 135 HB2 HIS 17 HB2 HIS 17 9.098 -9.387 2.438 136 HB3 HIS 17 HB3 HIS 17 7.379 -9.754 2.378 137 HD1 HIS 17 HD1 HIS 17 7.604 -11.005 4.678 138 HD2 HIS 17 HD2 HIS 17 9.814 -12.662 1.567 139 HE1 HIS 17 HE1 HIS 17 8.320 -13.272 5.487 140 HE2 HIS 17 HE2 HIS 17 9.834 -14.157 3.679 141 H THR 18 H THR 18 9.844 -8.232 0.002 142 HA THR 18 HA THR 18 7.958 -6.201 -0.232 143 HB THR 18 HB THR 18 10.537 -6.359 -1.798 144 HG1 THR 18 HG1 THR 18 11.502 -6.429 0.068 145 HG21 THR 18 3HG2 THR 18 10.568 -3.930 -1.493 146 HG22 THR 18 1HG2 THR 18 9.036 -4.017 -0.622 147 HG23 THR 18 2HG2 THR 18 9.106 -4.450 -2.331 148 H TYR 19 H TYR 19 9.358 -8.309 -2.718 149 HA TYR 19 HA TYR 19 7.999 -6.902 -4.835 150 HB2 TYR 19 HB2 TYR 19 9.635 -9.443 -4.947 151 HB3 TYR 19 HB3 TYR 19 9.160 -8.446 -6.321 152 HD1 TYR 19 HD2 TYR 19 10.033 -6.054 -6.421 153 HD2 TYR 19 HD1 TYR 19 11.610 -8.975 -3.760 154 HE1 TYR 19 HE2 TYR 19 12.061 -4.695 -6.135 155 HE2 TYR 19 HE1 TYR 19 13.639 -7.618 -3.465 156 HH TYR 19 HH TYR 19 14.883 -5.880 -4.625 157 H MET 20 H MET 20 7.397 -9.637 -2.845 158 HA MET 20 HA MET 20 5.463 -10.819 -4.622 159 HB2 MET 20 HB2 MET 20 6.702 -12.206 -3.005 160 HB3 MET 20 HB3 MET 20 5.935 -11.333 -1.683 161 HG2 MET 20 HG2 MET 20 4.816 -13.428 -2.002 162 HG3 MET 20 HG3 MET 20 3.735 -12.113 -2.482 163 HE1 MET 20 HE1 MET 20 2.754 -14.983 -4.958 164 HE2 MET 20 HE2 MET 20 3.208 -15.130 -3.262 165 HE3 MET 20 HE3 MET 20 2.160 -13.811 -3.781 166 H ALA 21 H ALA 21 5.366 -8.931 -1.616 167 HA ALA 21 HA ALA 21 2.586 -8.982 -1.265 168 HB1 ALA 21 HB1 ALA 21 4.148 -8.364 0.508 169 HB2 ALA 21 HB2 ALA 21 4.541 -6.877 -0.352 170 HB3 ALA 21 HB3 ALA 21 2.914 -7.124 0.280 171 H ALA 22 H ALA 22 4.647 -6.794 -3.089 172 HA ALA 22 HA ALA 22 2.847 -4.743 -3.607 173 HB1 ALA 22 HB1 ALA 22 4.965 -5.798 -5.476 174 HB2 ALA 22 HB2 ALA 22 4.227 -4.197 -5.524 175 HB3 ALA 22 HB3 ALA 22 5.247 -4.658 -4.160 176 H GLN 23 H GLN 23 3.386 -7.759 -5.406 177 HA GLN 23 HA GLN 23 1.360 -7.096 -7.348 178 HB2 GLN 23 HB2 GLN 23 2.884 -9.664 -6.901 179 HB3 GLN 23 HB3 GLN 23 1.829 -9.336 -8.268 180 HG2 GLN 23 HG2 GLN 23 4.345 -7.827 -7.591 181 HG3 GLN 23 HG3 GLN 23 4.191 -9.067 -8.832 182 HE21 GLN 23 1HE2 GLN 23 4.730 -7.765 -10.524 183 HE22 GLN 23 2HE2 GLN 23 3.738 -6.463 -11.088 184 H ALA 24 H ALA 24 1.600 -9.073 -4.463 185 HA ALA 24 HA ALA 24 -0.807 -10.506 -4.766 186 HB1 ALA 24 HB1 ALA 24 0.522 -9.633 -2.203 187 HB2 ALA 24 HB2 ALA 24 -0.677 -10.914 -2.374 188 HB3 ALA 24 HB3 ALA 24 0.915 -11.091 -3.112 189 H LEU 25 H LEU 25 -0.071 -7.412 -3.200 190 HA LEU 25 HA LEU 25 -2.673 -6.763 -2.385 191 HB2 LEU 25 HB2 LEU 25 -0.327 -5.050 -3.167 192 HB3 LEU 25 HB3 LEU 25 -1.847 -4.351 -2.642 193 HG LEU 25 HG LEU 25 -0.108 -6.195 -1.001 194 HD11 LEU 25 2HD1 LEU 25 0.350 -4.222 0.347 195 HD12 LEU 25 1HD1 LEU 25 -0.623 -3.236 -0.743 196 HD13 LEU 25 3HD1 LEU 25 0.871 -3.973 -1.320 197 HD21 LEU 25 3HD2 LEU 25 -1.635 -5.643 0.825 198 HD22 LEU 25 2HD2 LEU 25 -2.480 -6.454 -0.493 199 HD23 LEU 25 1HD2 LEU 25 -2.634 -4.709 -0.289 200 H LYS 26 H LYS 26 -1.038 -6.285 -5.483 201 HA LYS 26 HA LYS 26 -3.048 -4.770 -6.730 202 HB2 LYS 26 HB2 LYS 26 -1.017 -6.675 -7.888 203 HB3 LYS 26 HB3 LYS 26 -2.097 -5.707 -8.877 204 HG2 LYS 26 HG2 LYS 26 -0.967 -3.853 -7.190 205 HG3 LYS 26 HG3 LYS 26 0.359 -4.970 -7.527 206 HD2 LYS 26 HD2 LYS 26 -0.205 -4.752 -9.964 207 HD3 LYS 26 HD3 LYS 26 -1.326 -3.464 -9.522 208 HE2 LYS 26 HE2 LYS 26 0.679 -2.400 -10.176 209 HE3 LYS 26 HE3 LYS 26 0.626 -2.314 -8.415 210 HZ1 LYS 26 HZ1 LYS 26 2.193 -4.254 -10.032 211 HZ2 LYS 26 HZ2 LYS 26 2.115 -4.240 -8.340 212 HZ3 LYS 26 HZ3 LYS 26 2.818 -2.937 -9.162 213 H LYS 27 H LYS 27 -2.487 -8.275 -6.688 214 HA LYS 27 HA LYS 27 -4.621 -8.988 -8.355 215 HB2 LYS 27 HB2 LYS 27 -2.641 -10.340 -6.911 216 HB3 LYS 27 HB3 LYS 27 -4.161 -10.959 -6.278 217 HG2 LYS 27 HG2 LYS 27 -3.419 -12.352 -8.094 218 HG3 LYS 27 HG3 LYS 27 -4.873 -11.479 -8.585 219 HD2 LYS 27 HD2 LYS 27 -3.406 -9.796 -9.694 220 HD3 LYS 27 HD3 LYS 27 -2.022 -10.824 -9.318 221 HE2 LYS 27 HE2 LYS 27 -4.401 -11.613 -10.992 222 HE3 LYS 27 HE3 LYS 27 -2.821 -11.147 -11.615 223 HZ1 LYS 27 HZ1 LYS 27 -1.857 -13.060 -10.471 224 HZ2 LYS 27 HZ2 LYS 27 -3.056 -13.533 -11.571 225 HZ3 LYS 27 HZ3 LYS 27 -3.392 -13.512 -9.911 226 H GLY 28 H GLY 28 -4.451 -8.637 -4.830 227 HA2 GLY 28 HA1 GLY 28 -7.122 -9.402 -4.299 228 HA3 GLY 28 HA2 GLY 28 -6.102 -8.427 -3.247 229 H ALA 29 H ALA 29 -5.649 -6.246 -4.939 230 HA ALA 29 HA ALA 29 -7.958 -4.707 -4.442 231 HB1 ALA 29 HB1 ALA 29 -6.815 -2.920 -5.645 232 HB2 ALA 29 HB2 ALA 29 -5.714 -3.737 -4.536 233 HB3 ALA 29 HB3 ALA 29 -5.639 -4.077 -6.263 234 H LYS 30 H LYS 30 -6.660 -6.148 -7.402 235 HA LYS 30 HA LYS 30 -8.710 -5.117 -9.086 236 HB2 LYS 30 HB2 LYS 30 -6.558 -7.158 -9.378 237 HB3 LYS 30 HB3 LYS 30 -7.866 -7.152 -10.554 238 HG2 LYS 30 HG2 LYS 30 -5.946 -5.864 -11.328 239 HG3 LYS 30 HG3 LYS 30 -7.371 -4.846 -11.133 240 HD2 LYS 30 HD2 LYS 30 -6.505 -4.098 -8.950 241 HD3 LYS 30 HD3 LYS 30 -5.061 -5.079 -9.204 242 HE2 LYS 30 HE2 LYS 30 -4.583 -2.789 -9.777 243 HE3 LYS 30 HE3 LYS 30 -4.572 -3.772 -11.239 244 HZ1 LYS 30 HZ1 LYS 30 -6.811 -2.996 -11.733 245 HZ2 LYS 30 HZ2 LYS 30 -5.729 -1.697 -11.603 246 HZ3 LYS 30 HZ3 LYS 30 -6.805 -2.032 -10.336 247 H LYS 31 H LYS 31 -8.396 -7.981 -7.115 248 HA LYS 31 HA LYS 31 -10.578 -9.438 -8.144 249 HB2 LYS 31 HB2 LYS 31 -8.904 -10.398 -6.611 250 HB3 LYS 31 HB3 LYS 31 -9.501 -9.365 -5.318 251 HG2 LYS 31 HG2 LYS 31 -10.351 -11.624 -5.089 252 HG3 LYS 31 HG3 LYS 31 -11.665 -10.491 -5.409 253 HD2 LYS 31 HD2 LYS 31 -11.919 -12.560 -6.700 254 HD3 LYS 31 HD3 LYS 31 -11.694 -11.161 -7.751 255 HE2 LYS 31 HE2 LYS 31 -9.336 -11.737 -8.018 256 HE3 LYS 31 HE3 LYS 31 -9.548 -13.121 -6.946 257 HZ1 LYS 31 HZ1 LYS 31 -11.038 -14.118 -8.519 258 HZ2 LYS 31 HZ2 LYS 31 -9.593 -13.716 -9.311 259 HZ3 LYS 31 HZ3 LYS 31 -10.974 -12.752 -9.524 260 H MET 32 H MET 32 -10.334 -7.029 -5.564 261 HA MET 32 HA MET 32 -13.128 -7.033 -4.961 262 HB2 MET 32 HB2 MET 32 -11.066 -4.890 -4.409 263 HB3 MET 32 HB3 MET 32 -12.643 -5.024 -3.653 264 HG2 MET 32 HG2 MET 32 -10.485 -7.104 -3.389 265 HG3 MET 32 HG3 MET 32 -10.696 -5.766 -2.263 266 HE1 MET 32 HE1 MET 32 -13.356 -9.492 -2.667 267 HE2 MET 32 HE2 MET 32 -13.053 -8.452 -4.060 268 HE3 MET 32 HE3 MET 32 -11.715 -9.300 -3.286 269 H GLY 33 H GLY 33 -11.017 -5.240 -7.101 270 HA2 GLY 33 HA1 GLY 33 -11.844 -4.375 -9.184 271 HA3 GLY 33 HA2 GLY 33 -13.393 -4.088 -8.405 272 H ASN 34 H ASN 34 -9.999 -3.180 -7.755 273 HA ASN 34 HA ASN 34 -10.885 -0.380 -7.541 274 HB2 ASN 34 HB2 ASN 34 -9.105 -1.847 -5.581 275 HB3 ASN 34 HB3 ASN 34 -9.379 -0.110 -5.572 276 HD21 ASN 34 1HD2 ASN 34 -10.768 -3.228 -4.961 277 HD22 ASN 34 2HD2 ASN 34 -12.152 -2.666 -4.091 278 H LEU 35 H LEU 35 -8.977 1.133 -7.431 279 HA LEU 35 HA LEU 35 -6.843 0.221 -9.242 280 HB2 LEU 35 HB2 LEU 35 -7.838 3.009 -8.623 281 HB3 LEU 35 HB3 LEU 35 -6.414 2.674 -9.582 282 HG LEU 35 HG LEU 35 -8.092 3.156 -11.138 283 HD11 LEU 35 2HD1 LEU 35 -8.453 1.077 -12.354 284 HD12 LEU 35 1HD1 LEU 35 -7.984 0.155 -10.926 285 HD13 LEU 35 3HD1 LEU 35 -6.805 1.186 -11.736 286 HD21 LEU 35 3HD2 LEU 35 -10.017 3.066 -9.675 287 HD22 LEU 35 2HD2 LEU 35 -9.922 1.305 -9.622 288 HD23 LEU 35 1HD2 LEU 35 -10.317 2.121 -11.134 289 H ILE 36 H ILE 36 -4.838 0.025 -8.423 290 HA ILE 36 HA ILE 36 -4.322 1.287 -5.823 291 HB ILE 36 HB ILE 36 -4.920 -1.083 -5.492 292 HG12 ILE 36 2HG1 ILE 36 -2.009 -0.495 -4.933 293 HG13 ILE 36 3HG1 ILE 36 -3.358 0.090 -3.969 294 HG21 ILE 36 2HG2 ILE 36 -2.473 -1.642 -7.159 295 HG22 ILE 36 1HG2 ILE 36 -4.145 -2.007 -7.588 296 HG23 ILE 36 3HG2 ILE 36 -3.378 -2.846 -6.239 297 HD11 ILE 36 3HD1 ILE 36 -2.630 -2.801 -4.380 298 HD12 ILE 36 2HD1 ILE 36 -3.950 -2.190 -3.381 299 HD13 ILE 36 1HD1 ILE 36 -2.277 -1.839 -2.946 300 H LYS 37 H LYS 37 -2.414 2.190 -5.558 301 HA LYS 37 HA LYS 37 -0.345 1.769 -7.619 302 HB2 LYS 37 HB2 LYS 37 -1.114 4.218 -6.043 303 HB3 LYS 37 HB3 LYS 37 0.466 4.071 -6.797 304 HG2 LYS 37 HG2 LYS 37 -2.155 3.896 -8.268 305 HG3 LYS 37 HG3 LYS 37 -1.155 5.345 -8.150 306 HD2 LYS 37 HD2 LYS 37 0.712 4.070 -9.185 307 HD3 LYS 37 HD3 LYS 37 -0.399 2.719 -9.424 308 HE2 LYS 37 HE2 LYS 37 -0.306 3.924 -11.471 309 HE3 LYS 37 HE3 LYS 37 -1.865 4.278 -10.726 310 HZ1 LYS 37 HZ1 LYS 37 0.529 6.022 -10.804 311 HZ2 LYS 37 HZ2 LYS 37 -0.821 6.351 -9.841 312 HZ3 LYS 37 HZ3 LYS 37 -0.977 6.306 -11.527 313 H VAL 38 H VAL 38 1.064 0.363 -6.781 314 HA VAL 38 HA VAL 38 1.792 0.653 -3.968 315 HB VAL 38 HB VAL 38 2.889 -1.573 -4.240 316 HG11 VAL 38 2HG1 VAL 38 0.680 -1.380 -3.254 317 HG12 VAL 38 1HG1 VAL 38 0.802 -2.851 -4.218 318 HG13 VAL 38 3HG1 VAL 38 -0.057 -1.448 -4.855 319 HG21 VAL 38 3HG2 VAL 38 2.280 -2.949 -6.165 320 HG22 VAL 38 2HG2 VAL 38 3.229 -1.543 -6.646 321 HG23 VAL 38 1HG2 VAL 38 1.483 -1.560 -6.903 322 H GLU 39 H GLU 39 3.820 0.993 -3.304 323 HA GLU 39 HA GLU 39 5.864 1.521 -5.356 324 HB2 GLU 39 HB2 GLU 39 5.276 3.482 -3.988 325 HB3 GLU 39 HB3 GLU 39 5.640 2.577 -2.527 326 HG2 GLU 39 HG2 GLU 39 7.980 2.411 -3.206 327 HG3 GLU 39 HG3 GLU 39 7.614 3.312 -4.678 328 H THR 40 H THR 40 7.671 0.258 -5.354 329 HA THR 40 HA THR 40 7.909 -1.685 -3.186 330 HB THR 40 HB THR 40 9.578 -2.819 -4.679 331 HG1 THR 40 HG1 THR 40 10.162 -1.901 -6.482 332 HG21 THR 40 3HG2 THR 40 7.267 -3.580 -4.606 333 HG22 THR 40 1HG2 THR 40 7.906 -3.714 -6.245 334 HG23 THR 40 2HG2 THR 40 6.819 -2.390 -5.827 335 H GLN 41 H GLN 41 8.975 -0.828 -1.546 336 HA GLN 41 HA GLN 41 11.377 0.760 -2.005 337 HB2 GLN 41 HB2 GLN 41 9.665 1.344 -0.250 338 HB3 GLN 41 HB3 GLN 41 10.125 -0.118 0.604 339 HG2 GLN 41 HG2 GLN 41 11.173 1.833 1.577 340 HG3 GLN 41 HG3 GLN 41 12.384 0.749 0.887 341 HE21 GLN 41 1HE2 GLN 41 10.632 3.733 0.425 342 HE22 GLN 41 2HE2 GLN 41 11.751 4.448 -0.678 343 H GLY 42 H GLY 42 12.688 -0.804 -2.942 344 HA2 GLY 42 HA1 GLY 42 13.089 -3.364 -1.670 345 HA3 GLY 42 HA2 GLY 42 13.898 -2.772 -3.114 346 H ALA 43 H ALA 43 13.690 -1.786 0.278 347 HA ALA 43 HA ALA 43 15.242 -1.311 1.854 348 HB1 ALA 43 HB1 ALA 43 17.338 -2.532 1.866 349 HB2 ALA 43 HB2 ALA 43 16.010 -3.604 1.423 350 HB3 ALA 43 HB3 ALA 43 17.103 -2.994 0.180 351 H THR 44 H THR 44 15.184 0.866 1.325 352 HA THR 44 HA THR 44 16.179 2.885 1.028 353 HB THR 44 HB THR 44 18.610 1.412 0.001 354 HG1 THR 44 HG1 THR 44 18.507 0.722 2.052 355 HG21 THR 44 3HG2 THR 44 19.809 3.450 0.659 356 HG22 THR 44 1HG2 THR 44 18.285 4.194 1.136 357 HG23 THR 44 2HG2 THR 44 18.580 3.798 -0.557 358 H GLY 45 H GLY 45 16.413 0.549 -1.591 359 HA2 GLY 45 HA1 GLY 45 16.589 2.665 -3.591 360 HA3 GLY 45 HA2 GLY 45 16.709 0.937 -3.890 361 H ILE 46 H ILE 46 14.800 3.603 -4.245 362 HA ILE 46 HA ILE 46 12.231 2.237 -4.022 363 HB ILE 46 HB ILE 46 12.709 5.035 -5.052 364 HG12 ILE 46 2HG1 ILE 46 12.269 4.231 -2.166 365 HG13 ILE 46 3HG1 ILE 46 13.819 4.730 -2.834 366 HG21 ILE 46 2HG2 ILE 46 10.498 4.098 -5.413 367 HG22 ILE 46 1HG2 ILE 46 10.434 5.404 -4.229 368 HG23 ILE 46 3HG2 ILE 46 10.359 3.724 -3.695 369 HD11 ILE 46 3HD1 ILE 46 11.339 6.427 -2.698 370 HD12 ILE 46 2HD1 ILE 46 12.906 6.927 -3.334 371 HD13 ILE 46 1HD1 ILE 46 12.731 6.536 -1.623 372 H GLU 47 H GLU 47 11.167 1.387 -5.778 373 HA GLU 47 HA GLU 47 12.463 1.791 -8.385 374 HB2 GLU 47 HB2 GLU 47 10.496 -0.346 -7.568 375 HB3 GLU 47 HB3 GLU 47 11.368 -0.258 -9.093 376 HG2 GLU 47 HG2 GLU 47 13.485 -0.507 -7.885 377 HG3 GLU 47 HG3 GLU 47 12.589 -0.645 -6.371 378 H ASN 48 H ASN 48 9.219 1.693 -6.921 379 HA ASN 48 HA ASN 48 8.008 2.684 -9.342 380 HB2 ASN 48 HB2 ASN 48 6.921 2.111 -6.591 381 HB3 ASN 48 HB3 ASN 48 5.940 2.858 -7.850 382 HD21 ASN 48 1HD2 ASN 48 5.275 1.649 -9.594 383 HD22 ASN 48 2HD2 ASN 48 5.433 -0.076 -9.652 384 H GLU 49 H GLU 49 8.189 3.950 -6.022 385 HA GLU 49 HA GLU 49 8.247 6.038 -5.175 386 HB2 GLU 49 HB2 GLU 49 10.197 6.411 -6.583 387 HB3 GLU 49 HB3 GLU 49 9.168 6.794 -7.954 388 HG2 GLU 49 HG2 GLU 49 8.400 8.800 -6.901 389 HG3 GLU 49 HG3 GLU 49 9.239 8.391 -5.405 390 H LEU 50 H LEU 50 6.180 6.366 -4.667 391 HA LEU 50 HA LEU 50 4.245 7.164 -6.671 392 HB2 LEU 50 HB2 LEU 50 4.013 7.009 -3.661 393 HB3 LEU 50 HB3 LEU 50 2.683 7.305 -4.766 394 HG LEU 50 HG LEU 50 4.313 4.764 -4.603 395 HD11 LEU 50 2HD1 LEU 50 2.791 5.060 -2.718 396 HD12 LEU 50 1HD1 LEU 50 2.247 3.764 -3.784 397 HD13 LEU 50 3HD1 LEU 50 1.454 5.339 -3.835 398 HD21 LEU 50 3HD2 LEU 50 1.931 5.445 -6.324 399 HD22 LEU 50 2HD2 LEU 50 2.718 3.870 -6.216 400 HD23 LEU 50 1HD2 LEU 50 3.590 5.248 -6.889 401 H THR 51 H THR 51 3.568 9.206 -7.067 402 HA THR 51 HA THR 51 5.300 11.300 -6.017 403 HB THR 51 HB THR 51 4.286 12.678 -7.857 404 HG1 THR 51 HG1 THR 51 3.255 11.071 -9.483 405 HG21 THR 51 3HG2 THR 51 5.546 10.057 -8.678 406 HG22 THR 51 1HG2 THR 51 6.405 11.521 -8.199 407 HG23 THR 51 2HG2 THR 51 5.450 11.504 -9.682 408 H GLU 52 H GLU 52 4.430 13.361 -5.352 409 HA GLU 52 HA GLU 52 2.436 13.355 -3.460 410 HB2 GLU 52 HB2 GLU 52 4.094 15.158 -3.790 411 HB3 GLU 52 HB3 GLU 52 3.258 15.658 -5.248 412 HG2 GLU 52 HG2 GLU 52 1.759 15.599 -2.677 413 HG3 GLU 52 HG3 GLU 52 2.900 16.906 -2.976 414 H LYS 53 H LYS 53 2.167 14.139 -6.890 415 HA LYS 53 HA LYS 53 -0.550 14.872 -6.883 416 HB2 LYS 53 HB2 LYS 53 1.062 15.407 -8.677 417 HB3 LYS 53 HB3 LYS 53 1.102 13.712 -9.130 418 HG2 LYS 53 HG2 LYS 53 -1.235 13.794 -9.762 419 HG3 LYS 53 HG3 LYS 53 -1.335 15.479 -9.242 420 HD2 LYS 53 HD2 LYS 53 0.396 16.056 -10.907 421 HD3 LYS 53 HD3 LYS 53 0.393 14.379 -11.456 422 HE2 LYS 53 HE2 LYS 53 -1.920 14.574 -12.139 423 HE3 LYS 53 HE3 LYS 53 -2.000 16.216 -11.497 424 HZ1 LYS 53 HZ1 LYS 53 -0.290 15.293 -13.743 425 HZ2 LYS 53 HZ2 LYS 53 -0.279 16.860 -13.092 426 HZ3 LYS 53 HZ3 LYS 53 -1.669 16.276 -13.868 427 H ASP 54 H ASP 54 1.058 11.781 -7.512 428 HA ASP 54 HA ASP 54 -1.311 10.394 -8.270 429 HB2 ASP 54 HB2 ASP 54 1.122 9.788 -8.808 430 HB3 ASP 54 HB3 ASP 54 1.193 9.104 -7.192 431 H VAL 55 H VAL 55 0.510 10.721 -5.288 432 HA VAL 55 HA VAL 55 -0.976 8.910 -3.715 433 HB VAL 55 HB VAL 55 0.588 11.361 -2.879 434 HG11 VAL 55 2HG1 VAL 55 -0.473 9.110 -1.181 435 HG12 VAL 55 1HG1 VAL 55 -1.037 10.781 -1.162 436 HG13 VAL 55 3HG1 VAL 55 0.601 10.397 -0.635 437 HG21 VAL 55 3HG2 VAL 55 1.289 8.430 -2.913 438 HG22 VAL 55 2HG2 VAL 55 2.289 9.705 -2.212 439 HG23 VAL 55 1HG2 VAL 55 1.965 9.690 -3.947 440 H ASN 56 H ASN 56 -1.451 12.332 -4.472 441 HA ASN 56 HA ASN 56 -3.522 12.739 -2.567 442 HB2 ASN 56 HB2 ASN 56 -2.535 14.286 -4.930 443 HB3 ASN 56 HB3 ASN 56 -4.087 14.710 -4.214 444 HD21 ASN 56 1HD2 ASN 56 -1.308 13.471 -2.460 445 HD22 ASN 56 2HD2 ASN 56 -1.007 14.914 -1.555 446 H ILE 57 H ILE 57 -3.455 11.315 -5.703 447 HA ILE 57 HA ILE 57 -6.245 11.525 -6.245 448 HB ILE 57 HB ILE 57 -4.244 9.480 -7.233 449 HG12 ILE 57 2HG1 ILE 57 -3.630 11.743 -7.891 450 HG13 ILE 57 3HG1 ILE 57 -4.218 10.852 -9.289 451 HG21 ILE 57 2HG2 ILE 57 -6.519 8.652 -7.443 452 HG22 ILE 57 1HG2 ILE 57 -5.853 9.040 -9.029 453 HG23 ILE 57 3HG2 ILE 57 -7.001 10.137 -8.261 454 HD11 ILE 57 3HD1 ILE 57 -6.358 11.985 -9.134 455 HD12 ILE 57 2HD1 ILE 57 -5.038 13.148 -9.255 456 HD13 ILE 57 1HD1 ILE 57 -5.810 12.849 -7.698 457 H GLY 58 H GLY 58 -4.189 9.045 -4.776 458 HA2 GLY 58 HA1 GLY 58 -6.248 7.199 -4.179 459 HA3 GLY 58 HA2 GLY 58 -4.666 7.265 -3.415 460 H GLU 59 H GLU 59 -7.162 6.675 -2.146 461 HA GLU 59 HA GLU 59 -7.582 9.064 -0.484 462 HB2 GLU 59 HB2 GLU 59 -9.359 6.661 -0.928 463 HB3 GLU 59 HB3 GLU 59 -9.741 8.024 0.117 464 HG2 GLU 59 HG2 GLU 59 -9.874 9.511 -1.724 465 HG3 GLU 59 HG3 GLU 59 -9.188 8.315 -2.821 466 H VAL 60 H VAL 60 -7.459 5.504 -0.216 467 HA VAL 60 HA VAL 60 -6.594 5.836 2.568 468 HB VAL 60 HB VAL 60 -7.057 3.401 2.820 469 HG11 VAL 60 2HG1 VAL 60 -9.349 5.116 1.874 470 HG12 VAL 60 1HG1 VAL 60 -8.714 5.012 3.516 471 HG13 VAL 60 3HG1 VAL 60 -9.516 3.619 2.792 472 HG21 VAL 60 3HG2 VAL 60 -6.802 2.729 0.485 473 HG22 VAL 60 2HG2 VAL 60 -8.246 3.649 0.058 474 HG23 VAL 60 1HG2 VAL 60 -8.376 2.247 1.120 475 H VAL 61 H VAL 61 -4.686 4.993 3.314 476 HA VAL 61 HA VAL 61 -2.785 4.194 1.212 477 HB VAL 61 HB VAL 61 -2.110 5.408 3.892 478 HG11 VAL 61 2HG1 VAL 61 0.071 5.821 2.858 479 HG12 VAL 61 1HG1 VAL 61 -0.480 5.012 1.390 480 HG13 VAL 61 3HG1 VAL 61 -0.327 4.103 2.894 481 HG21 VAL 61 3HG2 VAL 61 -2.319 6.791 1.218 482 HG22 VAL 61 2HG2 VAL 61 -1.718 7.512 2.710 483 HG23 VAL 61 1HG2 VAL 61 -3.405 7.015 2.590 484 H ILE 62 H ILE 62 -1.904 2.243 1.331 485 HA ILE 62 HA ILE 62 -2.166 0.739 3.854 486 HB ILE 62 HB ILE 62 -1.912 -0.310 1.027 487 HG12 ILE 62 2HG1 ILE 62 -4.205 -0.404 3.003 488 HG13 ILE 62 3HG1 ILE 62 -4.135 0.593 1.553 489 HG21 ILE 62 2HG2 ILE 62 -0.738 -1.746 2.619 490 HG22 ILE 62 1HG2 ILE 62 -2.189 -2.535 1.998 491 HG23 ILE 62 3HG2 ILE 62 -2.189 -1.833 3.617 492 HD11 ILE 62 3HD1 ILE 62 -5.530 -1.360 1.211 493 HD12 ILE 62 2HD1 ILE 62 -4.177 -2.414 1.627 494 HD13 ILE 62 1HD1 ILE 62 -4.105 -1.419 0.173 495 H PHE 63 H PHE 63 -0.343 0.209 4.903 496 HA PHE 63 HA PHE 63 2.183 0.385 3.397 497 HB2 PHE 63 HB2 PHE 63 1.404 1.549 5.989 498 HB3 PHE 63 HB3 PHE 63 2.976 0.755 5.976 499 HD1 PHE 63 HD2 PHE 63 0.964 3.385 4.323 500 HD2 PHE 63 HD1 PHE 63 4.837 1.771 5.007 501 HE1 PHE 63 HE2 PHE 63 1.975 5.380 3.298 502 HE2 PHE 63 HE1 PHE 63 5.854 3.760 3.984 503 HZ PHE 63 HZ PHE 63 4.421 5.569 3.125 504 H ALA 64 H ALA 64 2.875 -1.603 3.043 505 HA ALA 64 HA ALA 64 2.927 -3.453 5.339 506 HB1 ALA 64 HB1 ALA 64 3.135 -5.276 3.731 507 HB2 ALA 64 HB2 ALA 64 1.675 -4.339 3.413 508 HB3 ALA 64 HB3 ALA 64 3.101 -4.122 2.398 509 H VAL 65 H VAL 65 4.812 -2.765 6.266 510 HA VAL 65 HA VAL 65 7.181 -2.737 4.537 511 HB VAL 65 HB VAL 65 8.003 -0.708 5.721 512 HG11 VAL 65 2HG1 VAL 65 7.039 -0.535 3.505 513 HG12 VAL 65 1HG1 VAL 65 6.590 0.871 4.471 514 HG13 VAL 65 3HG1 VAL 65 5.419 -0.419 4.193 515 HG21 VAL 65 3HG2 VAL 65 6.406 0.700 6.919 516 HG22 VAL 65 2HG2 VAL 65 6.600 -0.861 7.720 517 HG23 VAL 65 1HG2 VAL 65 5.166 -0.543 6.742 518 H ASP 66 H ASP 66 8.952 -3.533 5.314 519 HA ASP 66 HA ASP 66 9.123 -4.236 8.169 520 HB2 ASP 66 HB2 ASP 66 9.147 -6.214 6.821 521 HB3 ASP 66 HB3 ASP 66 10.294 -5.513 5.690 522 H THR 67 H THR 67 10.064 -2.003 6.002 523 HA THR 67 HA THR 67 12.443 -1.317 7.526 524 HB THR 67 HB THR 67 13.210 -2.630 5.522 525 HG1 THR 67 HG1 THR 67 14.886 -1.200 5.106 526 HG21 THR 67 3HG2 THR 67 13.151 -1.549 3.330 527 HG22 THR 67 1HG2 THR 67 12.174 -0.239 3.999 528 HG23 THR 67 2HG2 THR 67 11.522 -1.876 3.922 529 H LYS 68 H LYS 68 13.285 0.869 6.625 530 HA LYS 68 HA LYS 68 11.201 2.757 7.058 531 HB2 LYS 68 HB2 LYS 68 13.435 3.121 7.914 532 HB3 LYS 68 HB3 LYS 68 14.108 3.062 6.294 533 HG2 LYS 68 HG2 LYS 68 12.819 5.112 5.744 534 HG3 LYS 68 HG3 LYS 68 12.312 5.190 7.434 535 HD2 LYS 68 HD2 LYS 68 14.252 6.639 6.965 536 HD3 LYS 68 HD3 LYS 68 14.620 5.383 8.150 537 HE2 LYS 68 HE2 LYS 68 15.659 4.033 6.388 538 HE3 LYS 68 HE3 LYS 68 15.291 5.293 5.211 539 HZ1 LYS 68 HZ1 LYS 68 17.604 5.356 6.039 540 HZ2 LYS 68 HZ2 LYS 68 17.017 5.685 7.599 541 HZ3 LYS 68 HZ3 LYS 68 16.755 6.794 6.346 542 H VAL 69 H VAL 69 10.253 4.187 5.669 543 HA VAL 69 HA VAL 69 10.757 3.771 2.792 544 HB VAL 69 HB VAL 69 8.170 4.670 4.076 545 HG11 VAL 69 2HG1 VAL 69 7.203 4.354 1.861 546 HG12 VAL 69 1HG1 VAL 69 8.783 3.895 1.226 547 HG13 VAL 69 3HG1 VAL 69 8.511 5.537 1.812 548 HG21 VAL 69 3HG2 VAL 69 8.909 1.985 2.920 549 HG22 VAL 69 2HG2 VAL 69 7.295 2.460 3.450 550 HG23 VAL 69 1HG2 VAL 69 8.610 2.343 4.621 551 H ARG 70 H ARG 70 11.418 5.500 1.669 552 HA ARG 70 HA ARG 70 11.871 7.936 3.133 553 HB2 ARG 70 HB2 ARG 70 12.683 7.072 0.357 554 HB3 ARG 70 HB3 ARG 70 13.089 8.640 1.045 555 HG2 ARG 70 HG2 ARG 70 14.161 7.374 2.955 556 HG3 ARG 70 HG3 ARG 70 13.979 5.925 1.968 557 HD2 ARG 70 HD2 ARG 70 15.379 8.398 0.989 558 HD3 ARG 70 HD3 ARG 70 16.216 7.116 1.857 559 HE ARG 70 HE ARG 70 15.313 5.644 -0.030 560 HH11 ARG 70 2HH1 ARG 70 16.109 9.023 -0.408 561 HH12 ARG 70 1HH1 ARG 70 16.641 8.858 -2.057 562 HH21 ARG 70 2HH2 ARG 70 16.021 5.392 -2.191 563 HH22 ARG 70 1HH2 ARG 70 16.578 6.782 -3.080 564 H ASN 71 H ASN 71 9.824 6.895 0.461 565 HA ASN 71 HA ASN 71 8.923 9.585 -0.082 566 HB2 ASN 71 HB2 ASN 71 7.981 6.917 -1.137 567 HB3 ASN 71 HB3 ASN 71 7.303 8.463 -1.642 568 HD21 ASN 71 1HD2 ASN 71 8.572 6.522 -3.275 569 HD22 ASN 71 2HD2 ASN 71 9.968 7.283 -3.974 570 H LYS 72 H LYS 72 8.274 7.378 2.264 571 HA LYS 72 HA LYS 72 5.556 7.221 2.612 572 HB2 LYS 72 HB2 LYS 72 7.016 5.976 4.021 573 HB3 LYS 72 HB3 LYS 72 7.784 7.433 4.630 574 HG2 LYS 72 HG2 LYS 72 5.681 8.052 5.742 575 HG3 LYS 72 HG3 LYS 72 4.961 6.543 5.172 576 HD2 LYS 72 HD2 LYS 72 6.458 5.239 6.469 577 HD3 LYS 72 HD3 LYS 72 7.464 6.643 6.839 578 HE2 LYS 72 HE2 LYS 72 4.623 6.204 7.751 579 HE3 LYS 72 HE3 LYS 72 6.070 6.017 8.743 580 HZ1 LYS 72 HZ1 LYS 72 6.550 8.395 8.313 581 HZ2 LYS 72 HZ2 LYS 72 5.115 8.150 9.181 582 HZ3 LYS 72 HZ3 LYS 72 5.050 8.537 7.533 583 H GLU 73 H GLU 73 7.602 9.968 3.084 584 HA GLU 73 HA GLU 73 6.278 11.477 4.963 585 HB2 GLU 73 HB2 GLU 73 7.566 12.573 2.463 586 HB3 GLU 73 HB3 GLU 73 7.362 13.404 3.997 587 HG2 GLU 73 HG2 GLU 73 9.127 11.029 3.466 588 HG3 GLU 73 HG3 GLU 73 9.645 12.693 3.723 589 H ARG 74 H ARG 74 5.405 11.018 1.573 590 HA ARG 74 HA ARG 74 3.572 13.245 1.605 591 HB2 ARG 74 HB2 ARG 74 3.123 12.627 -0.716 592 HB3 ARG 74 HB3 ARG 74 4.845 12.761 -0.396 593 HG2 ARG 74 HG2 ARG 74 4.594 10.162 0.034 594 HG3 ARG 74 HG3 ARG 74 3.215 10.381 -1.045 595 HD2 ARG 74 HD2 ARG 74 5.155 9.819 -2.357 596 HD3 ARG 74 HD3 ARG 74 4.714 11.497 -2.647 597 HE ARG 74 HE ARG 74 6.615 11.474 -0.617 598 HH11 ARG 74 2HH1 ARG 74 6.448 10.604 -4.006 599 HH12 ARG 74 1HH1 ARG 74 8.091 11.061 -4.328 600 HH21 ARG 74 2HH2 ARG 74 8.787 12.035 -1.034 601 HH22 ARG 74 1HH2 ARG 74 9.418 11.868 -2.650 602 H PHE 75 H PHE 75 3.307 10.012 2.603 603 HA PHE 75 HA PHE 75 0.414 9.959 2.159 604 HB2 PHE 75 HB2 PHE 75 2.115 7.916 3.595 605 HB3 PHE 75 HB3 PHE 75 0.487 7.712 2.960 606 HD1 PHE 75 HD2 PHE 75 0.112 7.395 0.573 607 HD2 PHE 75 HD1 PHE 75 4.038 7.826 2.154 608 HE1 PHE 75 HE2 PHE 75 1.055 6.537 -1.533 609 HE2 PHE 75 HE1 PHE 75 4.985 6.978 0.053 610 HZ PHE 75 HZ PHE 75 3.493 6.331 -1.794 611 H ASP 76 H ASP 76 2.488 11.320 4.246 612 HA ASP 76 HA ASP 76 1.109 10.725 6.709 613 HB2 ASP 76 HB2 ASP 76 3.525 12.241 5.948 614 HB3 ASP 76 HB3 ASP 76 2.635 12.890 7.325 615 H GLY 77 H GLY 77 -0.261 12.068 7.827 616 HA2 GLY 77 HA1 GLY 77 -1.810 13.810 8.049 617 HA3 GLY 77 HA2 GLY 77 -1.215 14.499 6.539 618 H LYS 78 H LYS 78 -1.897 11.157 6.702 619 HA LYS 78 HA LYS 78 -4.522 11.464 5.462 620 HB2 LYS 78 HB2 LYS 78 -2.077 10.344 4.199 621 HB3 LYS 78 HB3 LYS 78 -3.595 9.512 3.890 622 HG2 LYS 78 HG2 LYS 78 -4.420 11.194 2.629 623 HG3 LYS 78 HG3 LYS 78 -3.622 12.447 3.578 624 HD2 LYS 78 HD2 LYS 78 -2.132 10.600 1.727 625 HD3 LYS 78 HD3 LYS 78 -2.793 12.154 1.209 626 HE2 LYS 78 HE2 LYS 78 -0.757 11.683 3.377 627 HE3 LYS 78 HE3 LYS 78 -0.462 12.383 1.794 628 HZ1 LYS 78 HZ1 LYS 78 -1.636 14.316 2.346 629 HZ2 LYS 78 HZ2 LYS 78 -0.697 13.982 3.717 630 HZ3 LYS 78 HZ3 LYS 78 -2.349 13.612 3.710 631 H VAL 79 H VAL 79 -4.645 8.625 4.802 632 HA VAL 79 HA VAL 79 -4.870 7.634 7.562 633 HB VAL 79 HB VAL 79 -7.059 7.883 6.630 634 HG11 VAL 79 2HG1 VAL 79 -7.785 6.721 4.607 635 HG12 VAL 79 1HG1 VAL 79 -6.132 6.164 4.342 636 HG13 VAL 79 3HG1 VAL 79 -6.504 7.886 4.275 637 HG21 VAL 79 3HG2 VAL 79 -6.763 5.948 8.042 638 HG22 VAL 79 2HG2 VAL 79 -6.229 4.983 6.666 639 HG23 VAL 79 1HG2 VAL 79 -7.895 5.561 6.746 640 H VAL 80 H VAL 80 -3.277 6.300 8.012 641 HA VAL 80 HA VAL 80 -2.213 4.598 5.869 642 HB VAL 80 HB VAL 80 -0.887 5.506 8.431 643 HG11 VAL 80 2HG1 VAL 80 1.137 4.483 7.560 644 HG12 VAL 80 1HG1 VAL 80 0.260 3.914 6.142 645 HG13 VAL 80 3HG1 VAL 80 -0.138 3.277 7.738 646 HG21 VAL 80 3HG2 VAL 80 0.546 6.841 6.981 647 HG22 VAL 80 2HG2 VAL 80 -1.146 7.296 6.780 648 HG23 VAL 80 1HG2 VAL 80 -0.352 6.290 5.567 649 H LEU 81 H LEU 81 -2.950 2.604 5.932 650 HA LEU 81 HA LEU 81 -3.361 1.285 8.522 651 HB2 LEU 81 HB2 LEU 81 -5.107 1.181 6.681 652 HB3 LEU 81 HB3 LEU 81 -3.974 0.229 5.750 653 HG LEU 81 HG LEU 81 -5.806 -1.037 6.962 654 HD11 LEU 81 2HD1 LEU 81 -2.955 -1.801 7.559 655 HD12 LEU 81 1HD1 LEU 81 -3.843 -2.165 6.081 656 HD13 LEU 81 3HD1 LEU 81 -4.348 -2.881 7.610 657 HD21 LEU 81 3HD2 LEU 81 -5.771 0.169 9.060 658 HD22 LEU 81 2HD2 LEU 81 -4.108 -0.344 9.355 659 HD23 LEU 81 1HD2 LEU 81 -5.409 -1.536 9.331 660 H GLU 82 H GLU 82 -1.476 0.576 9.295 661 HA GLU 82 HA GLU 82 0.571 -0.339 7.402 662 HB2 GLU 82 HB2 GLU 82 1.078 1.613 8.875 663 HB3 GLU 82 HB3 GLU 82 0.912 0.554 10.266 664 HG2 GLU 82 HG2 GLU 82 2.736 -0.856 9.269 665 HG3 GLU 82 HG3 GLU 82 2.983 0.438 8.098 666 H VAL 83 H VAL 83 1.046 -2.402 7.315 667 HA VAL 83 HA VAL 83 0.740 -4.080 9.712 668 HB VAL 83 HB VAL 83 -0.067 -5.949 8.261 669 HG11 VAL 83 2HG1 VAL 83 -1.837 -3.511 8.304 670 HG12 VAL 83 1HG1 VAL 83 -1.649 -4.683 9.608 671 HG13 VAL 83 3HG1 VAL 83 -2.380 -5.173 8.079 672 HG21 VAL 83 3HG2 VAL 83 -1.015 -5.410 6.058 673 HG22 VAL 83 2HG2 VAL 83 0.727 -5.139 6.113 674 HG23 VAL 83 1HG2 VAL 83 -0.382 -3.770 6.198 675 HA PRO 84 HA PRO 84 4.725 -5.827 8.616 676 HB2 PRO 84 HB2 PRO 84 3.488 -8.523 8.763 677 HB3 PRO 84 HB3 PRO 84 4.888 -7.877 9.627 678 HG2 PRO 84 HG2 PRO 84 2.560 -8.239 10.877 679 HG3 PRO 84 HG3 PRO 84 3.584 -6.835 11.234 680 HD2 PRO 84 HD2 PRO 84 1.094 -6.997 9.584 681 HD3 PRO 84 HD3 PRO 84 1.629 -5.722 10.699 682 H VAL 85 H VAL 85 5.768 -6.505 6.766 683 HA VAL 85 HA VAL 85 4.303 -6.365 4.363 684 HB VAL 85 HB VAL 85 6.658 -5.650 4.582 685 HG11 VAL 85 2HG1 VAL 85 8.451 -7.326 4.463 686 HG12 VAL 85 1HG1 VAL 85 7.250 -8.603 4.664 687 HG13 VAL 85 3HG1 VAL 85 7.521 -7.437 5.960 688 HG21 VAL 85 3HG2 VAL 85 5.739 -6.018 2.371 689 HG22 VAL 85 2HG2 VAL 85 6.162 -7.728 2.452 690 HG23 VAL 85 1HG2 VAL 85 7.433 -6.506 2.410 691 H SER 86 H SER 86 5.173 -9.051 6.354 692 HA SER 86 HA SER 86 4.961 -11.066 4.349 693 HB2 SER 86 HB2 SER 86 4.661 -11.401 7.339 694 HB3 SER 86 HB3 SER 86 5.143 -12.627 6.166 695 HG SER 86 HG SER 86 6.752 -11.182 7.531 696 H ALA 87 H ALA 87 2.663 -9.245 6.122 697 HA ALA 87 HA ALA 87 0.645 -11.229 6.374 698 HB1 ALA 87 HB1 ALA 87 0.319 -8.237 6.458 699 HB2 ALA 87 HB2 ALA 87 -0.810 -9.442 7.080 700 HB3 ALA 87 HB3 ALA 87 0.776 -9.251 7.828 701 HA PRO 88 HA PRO 88 -1.545 -9.033 2.668 702 HB2 PRO 88 HB2 PRO 88 -0.069 -7.518 0.980 703 HB3 PRO 88 HB3 PRO 88 -0.857 -6.861 2.420 704 HG2 PRO 88 HG2 PRO 88 1.989 -7.722 2.048 705 HG3 PRO 88 HG3 PRO 88 1.358 -6.247 2.809 706 HD2 PRO 88 HD2 PRO 88 2.159 -8.351 4.271 707 HD3 PRO 88 HD3 PRO 88 0.780 -7.346 4.760 708 H ILE 89 H ILE 89 1.225 -10.869 2.635 709 HA ILE 89 HA ILE 89 1.134 -11.568 -0.164 710 HB ILE 89 HB ILE 89 2.521 -12.948 2.148 711 HG12 ILE 89 2HG1 ILE 89 3.538 -11.052 0.018 712 HG13 ILE 89 3HG1 ILE 89 3.395 -10.709 1.737 713 HG21 ILE 89 2HG2 ILE 89 2.081 -14.502 0.318 714 HG22 ILE 89 1HG2 ILE 89 3.802 -14.135 0.430 715 HG23 ILE 89 3HG2 ILE 89 2.821 -13.381 -0.827 716 HD11 ILE 89 3HD1 ILE 89 5.695 -11.145 1.129 717 HD12 ILE 89 2HD1 ILE 89 5.244 -12.721 0.477 718 HD13 ILE 89 1HD1 ILE 89 5.093 -12.406 2.207 719 H LYS 90 H LYS 90 -0.014 -12.852 2.897 720 HA LYS 90 HA LYS 90 -1.530 -14.945 1.522 721 HB2 LYS 90 HB2 LYS 90 -0.268 -15.551 3.563 722 HB3 LYS 90 HB3 LYS 90 -1.209 -14.382 4.478 723 HG2 LYS 90 HG2 LYS 90 -3.121 -15.980 3.265 724 HG3 LYS 90 HG3 LYS 90 -1.848 -17.105 3.747 725 HD2 LYS 90 HD2 LYS 90 -3.276 -15.126 5.522 726 HD3 LYS 90 HD3 LYS 90 -3.460 -16.880 5.537 727 HE2 LYS 90 HE2 LYS 90 -1.183 -17.158 6.271 728 HE3 LYS 90 HE3 LYS 90 -0.883 -15.428 6.117 729 HZ1 LYS 90 HZ1 LYS 90 -2.784 -16.700 8.015 730 HZ2 LYS 90 HZ2 LYS 90 -2.503 -15.034 7.869 731 HZ3 LYS 90 HZ3 LYS 90 -1.265 -16.056 8.412 732 H ASP 91 H ASP 91 -2.009 -12.260 3.793 733 HA ASP 91 HA ASP 91 -4.909 -12.478 3.520 734 HB2 ASP 91 HB2 ASP 91 -3.200 -10.741 5.321 735 HB3 ASP 91 HB3 ASP 91 -4.950 -10.855 5.390 736 H ALA 92 H ALA 92 -3.596 -11.543 1.192 737 HA ALA 92 HA ALA 92 -3.053 -8.825 1.002 738 HB1 ALA 92 HB1 ALA 92 -2.480 -10.467 -0.721 739 HB2 ALA 92 HB2 ALA 92 -4.184 -10.608 -1.154 740 HB3 ALA 92 HB3 ALA 92 -3.333 -9.081 -1.400 741 H GLU 93 H GLU 93 -6.128 -10.442 0.169 742 HA GLU 93 HA GLU 93 -7.470 -8.012 -0.474 743 HB2 GLU 93 HB2 GLU 93 -8.608 -10.709 0.295 744 HB3 GLU 93 HB3 GLU 93 -9.505 -9.398 -0.460 745 HG2 GLU 93 HG2 GLU 93 -8.413 -9.652 -2.491 746 HG3 GLU 93 HG3 GLU 93 -7.074 -10.541 -1.767 747 H LYS 94 H LYS 94 -6.906 -9.782 2.415 748 HA LYS 94 HA LYS 94 -9.027 -8.684 3.983 749 HB2 LYS 94 HB2 LYS 94 -8.135 -10.843 4.504 750 HB3 LYS 94 HB3 LYS 94 -6.505 -10.210 4.619 751 HG2 LYS 94 HG2 LYS 94 -7.069 -9.044 6.661 752 HG3 LYS 94 HG3 LYS 94 -8.751 -9.579 6.521 753 HD2 LYS 94 HD2 LYS 94 -8.223 -11.791 6.953 754 HD3 LYS 94 HD3 LYS 94 -6.536 -11.583 6.487 755 HE2 LYS 94 HE2 LYS 94 -6.286 -10.123 8.529 756 HE3 LYS 94 HE3 LYS 94 -7.888 -10.683 9.015 757 HZ1 LYS 94 HZ1 LYS 94 -7.105 -12.932 9.047 758 HZ2 LYS 94 HZ2 LYS 94 -6.056 -11.990 9.992 759 HZ3 LYS 94 HZ3 LYS 94 -5.595 -12.474 8.429 760 H VAL 95 H VAL 95 -5.634 -7.966 3.455 761 HA VAL 95 HA VAL 95 -5.349 -5.904 5.364 762 HB VAL 95 HB VAL 95 -3.903 -6.352 2.742 763 HG11 VAL 95 2HG1 VAL 95 -3.116 -4.599 5.065 764 HG12 VAL 95 1HG1 VAL 95 -3.657 -4.038 3.482 765 HG13 VAL 95 3HG1 VAL 95 -2.142 -4.929 3.633 766 HG21 VAL 95 3HG2 VAL 95 -3.689 -8.205 4.302 767 HG22 VAL 95 2HG2 VAL 95 -3.167 -7.093 5.570 768 HG23 VAL 95 1HG2 VAL 95 -2.158 -7.340 4.143 769 H ILE 96 H ILE 96 -6.301 -5.905 1.964 770 HA ILE 96 HA ILE 96 -6.594 -3.123 1.631 771 HB ILE 96 HB ILE 96 -8.048 -5.387 0.253 772 HG12 ILE 96 2HG1 ILE 96 -5.608 -3.799 -0.567 773 HG13 ILE 96 3HG1 ILE 96 -5.577 -5.434 0.084 774 HG21 ILE 96 2HG2 ILE 96 -9.265 -3.314 -0.047 775 HG22 ILE 96 1HG2 ILE 96 -8.453 -3.752 -1.550 776 HG23 ILE 96 3HG2 ILE 96 -7.785 -2.482 -0.523 777 HD11 ILE 96 3HD1 ILE 96 -6.818 -6.232 -1.843 778 HD12 ILE 96 2HD1 ILE 96 -5.332 -5.418 -2.331 779 HD13 ILE 96 1HD1 ILE 96 -6.883 -4.592 -2.492 780 H ASN 97 H ASN 97 -8.972 -5.631 2.500 781 HA ASN 97 HA ASN 97 -11.159 -3.884 2.818 782 HB2 ASN 97 HB2 ASN 97 -10.547 -6.650 3.799 783 HB3 ASN 97 HB3 ASN 97 -11.959 -5.801 4.419 784 HD21 ASN 97 1HD2 ASN 97 -10.498 -7.307 1.657 785 HD22 ASN 97 2HD2 ASN 97 -11.918 -7.316 0.663 786 H ALA 98 H ALA 98 -8.478 -4.645 4.905 787 HA ALA 98 HA ALA 98 -9.586 -3.773 7.351 788 HB1 ALA 98 HB1 ALA 98 -6.690 -3.721 6.509 789 HB2 ALA 98 HB2 ALA 98 -7.304 -3.637 8.160 790 HB3 ALA 98 HB3 ALA 98 -7.524 -5.107 7.210 791 H ALA 99 H ALA 99 -7.897 -2.087 4.752 792 HA ALA 99 HA ALA 99 -7.778 0.444 6.027 793 HB1 ALA 99 HB1 ALA 99 -6.375 -0.101 4.098 794 HB2 ALA 99 HB2 ALA 99 -7.810 -0.222 3.082 795 HB3 ALA 99 HB3 ALA 99 -7.353 1.331 3.780 796 H LEU 100 H LEU 100 -10.113 -1.122 3.892 797 HA LEU 100 HA LEU 100 -11.916 1.038 3.673 798 HB2 LEU 100 HB2 LEU 100 -12.123 -1.922 3.283 799 HB3 LEU 100 HB3 LEU 100 -13.571 -0.939 3.245 800 HG LEU 100 HG LEU 100 -12.677 -1.433 1.005 801 HD11 LEU 100 2HD1 LEU 100 -14.015 0.562 1.340 802 HD12 LEU 100 1HD1 LEU 100 -12.754 0.864 0.143 803 HD13 LEU 100 3HD1 LEU 100 -12.574 1.476 1.789 804 HD21 LEU 100 3HD2 LEU 100 -10.645 -0.350 0.216 805 HD22 LEU 100 2HD2 LEU 100 -10.301 -1.491 1.517 806 HD23 LEU 100 1HD2 LEU 100 -10.322 0.243 1.846 807 H ALA 101 H ALA 101 -11.438 -1.432 6.081 808 HA ALA 101 HA ALA 101 -13.901 -1.131 7.443 809 HB1 ALA 101 HB1 ALA 101 -12.506 -3.109 7.718 810 HB2 ALA 101 HB2 ALA 101 -11.251 -2.131 8.478 811 HB3 ALA 101 HB3 ALA 101 -12.812 -2.336 9.273 812 H LEU 102 H LEU 102 -11.107 0.830 7.303 813 HA LEU 102 HA LEU 102 -11.471 2.071 9.871 814 HB2 LEU 102 HB2 LEU 102 -9.847 2.965 7.488 815 HB3 LEU 102 HB3 LEU 102 -9.764 3.661 9.094 816 HG LEU 102 HG LEU 102 -8.999 0.829 8.378 817 HD11 LEU 102 2HD1 LEU 102 -7.298 3.224 9.056 818 HD12 LEU 102 1HD1 LEU 102 -7.442 2.464 7.471 819 HD13 LEU 102 3HD1 LEU 102 -6.713 1.578 8.809 820 HD21 LEU 102 3HD2 LEU 102 -8.116 0.727 10.656 821 HD22 LEU 102 2HD2 LEU 102 -9.856 1.017 10.657 822 HD23 LEU 102 1HD2 LEU 102 -8.740 2.346 10.973 823 H ILE 103 H ILE 103 -12.430 2.734 6.554 824 HA ILE 103 HA ILE 103 -13.508 5.326 7.366 825 HB ILE 103 HB ILE 103 -13.922 5.673 4.916 826 HG12 ILE 103 2HG1 ILE 103 -12.248 3.164 4.629 827 HG13 ILE 103 3HG1 ILE 103 -13.970 3.269 4.279 828 HG21 ILE 103 2HG2 ILE 103 -11.563 6.095 4.392 829 HG22 ILE 103 1HG2 ILE 103 -11.087 5.101 5.767 830 HG23 ILE 103 3HG2 ILE 103 -11.974 6.602 6.029 831 HD11 ILE 103 3HD1 ILE 103 -12.633 3.371 2.251 832 HD12 ILE 103 2HD1 ILE 103 -11.788 4.788 2.869 833 HD13 ILE 103 1HD1 ILE 103 -13.511 4.880 2.507 834 H ASP 104 H ASP 104 -14.605 2.323 5.793 835 HA ASP 104 HA ASP 104 -17.379 3.232 6.204 836 HB2 ASP 104 HB2 ASP 104 -16.199 1.243 4.266 837 HB3 ASP 104 HB3 ASP 104 -17.927 1.381 4.550 838 H GLU 105 H GLU 105 -15.100 0.681 6.787 839 HA GLU 105 HA GLU 105 -15.134 -1.285 7.885 840 HB2 GLU 105 HB2 GLU 105 -16.012 0.205 9.752 841 HB3 GLU 105 HB3 GLU 105 -17.624 -0.360 9.322 842 HG2 GLU 105 HG2 GLU 105 -16.951 -2.659 9.774 843 HG3 GLU 105 HG3 GLU 105 -15.327 -2.111 10.179 844 H LYS 106 H LYS 106 -15.645 -2.075 5.761 845 HA LYS 106 HA LYS 106 -18.186 -3.524 5.694 846 HB2 LYS 106 HB2 LYS 106 -17.049 -1.813 3.473 847 HB3 LYS 106 HB3 LYS 106 -18.294 -3.026 3.210 848 HG2 LYS 106 HG2 LYS 106 -19.874 -1.822 4.474 849 HG3 LYS 106 HG3 LYS 106 -18.635 -0.764 5.154 850 HD2 LYS 106 HD2 LYS 106 -19.964 0.351 3.405 851 HD3 LYS 106 HD3 LYS 106 -18.254 0.245 2.988 852 HE2 LYS 106 HE2 LYS 106 -18.747 -1.718 1.580 853 HE3 LYS 106 HE3 LYS 106 -20.460 -1.543 1.962 854 HZ1 LYS 106 HZ1 LYS 106 -19.866 -0.543 -0.184 855 HZ2 LYS 106 HZ2 LYS 106 -18.800 0.516 0.605 856 HZ3 LYS 106 HZ3 LYS 106 -20.468 0.610 0.907 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -17.349 2.350 -5.761 2 H2 MET 1 H2 MET 1 -18.277 3.660 -6.309 3 H3 MET 1 H3 MET 1 -16.608 3.842 -6.075 4 HA MET 1 HA MET 1 -17.856 2.036 -8.063 5 HB2 MET 1 HB2 MET 1 -16.539 4.740 -8.383 6 HB3 MET 1 HB3 MET 1 -16.876 3.653 -9.723 7 HG2 MET 1 HG2 MET 1 -18.936 4.833 -7.873 8 HG3 MET 1 HG3 MET 1 -18.564 5.405 -9.500 9 HE1 MET 1 HE1 MET 1 -21.515 4.619 -8.521 10 HE2 MET 1 HE2 MET 1 -21.143 5.207 -10.142 11 HE3 MET 1 HE3 MET 1 -22.090 3.731 -9.933 12 H LYS 2 H LYS 2 -14.868 3.871 -7.564 13 HA LYS 2 HA LYS 2 -13.351 1.364 -7.640 14 HB2 LYS 2 HB2 LYS 2 -12.814 3.821 -9.317 15 HB3 LYS 2 HB3 LYS 2 -11.592 2.598 -9.005 16 HG2 LYS 2 HG2 LYS 2 -14.231 2.083 -10.366 17 HG3 LYS 2 HG3 LYS 2 -12.695 2.352 -11.194 18 HD2 LYS 2 HD2 LYS 2 -11.771 0.385 -9.969 19 HD3 LYS 2 HD3 LYS 2 -13.386 0.084 -9.326 20 HE2 LYS 2 HE2 LYS 2 -12.627 0.127 -12.245 21 HE3 LYS 2 HE3 LYS 2 -12.911 -1.317 -11.277 22 HZ1 LYS 2 HZ1 LYS 2 -14.938 0.792 -11.814 23 HZ2 LYS 2 HZ2 LYS 2 -15.194 -0.663 -10.979 24 HZ3 LYS 2 HZ3 LYS 2 -14.834 -0.687 -12.638 25 H ARG 3 H ARG 3 -12.716 1.398 -5.544 26 HA ARG 3 HA ARG 3 -12.072 3.748 -4.103 27 HB2 ARG 3 HB2 ARG 3 -12.755 1.545 -3.107 28 HB3 ARG 3 HB3 ARG 3 -11.158 0.929 -3.511 29 HG2 ARG 3 HG2 ARG 3 -11.148 1.543 -1.215 30 HG3 ARG 3 HG3 ARG 3 -10.180 2.729 -2.094 31 HD2 ARG 3 HD2 ARG 3 -11.575 3.885 -0.517 32 HD3 ARG 3 HD3 ARG 3 -12.148 4.231 -2.147 33 HE ARG 3 HE ARG 3 -13.537 2.021 -1.003 34 HH11 ARG 3 2HH1 ARG 3 -13.356 5.535 -0.989 35 HH12 ARG 3 1HH1 ARG 3 -15.007 5.733 -0.478 36 HH21 ARG 3 2HH2 ARG 3 -15.681 2.293 -0.272 37 HH22 ARG 3 1HH2 ARG 3 -16.325 3.891 -0.042 38 H LYS 4 H LYS 4 -10.283 4.932 -4.110 39 HA LYS 4 HA LYS 4 -8.028 4.031 -5.719 40 HB2 LYS 4 HB2 LYS 4 -8.559 6.687 -4.374 41 HB3 LYS 4 HB3 LYS 4 -7.210 6.344 -5.449 42 HG2 LYS 4 HG2 LYS 4 -10.129 6.309 -6.192 43 HG3 LYS 4 HG3 LYS 4 -8.954 7.560 -6.608 44 HD2 LYS 4 HD2 LYS 4 -7.664 5.903 -7.886 45 HD3 LYS 4 HD3 LYS 4 -8.867 4.674 -7.489 46 HE2 LYS 4 HE2 LYS 4 -9.353 5.458 -9.681 47 HE3 LYS 4 HE3 LYS 4 -10.580 6.120 -8.602 48 HZ1 LYS 4 HZ1 LYS 4 -9.852 7.822 -10.088 49 HZ2 LYS 4 HZ2 LYS 4 -8.225 7.551 -9.710 50 HZ3 LYS 4 HZ3 LYS 4 -9.265 8.206 -8.542 51 H ILE 5 H ILE 5 -6.375 3.010 -4.807 52 HA ILE 5 HA ILE 5 -5.691 3.679 -2.020 53 HB ILE 5 HB ILE 5 -5.629 0.910 -3.229 54 HG12 ILE 5 2HG1 ILE 5 -7.488 2.090 -1.149 55 HG13 ILE 5 3HG1 ILE 5 -7.927 1.695 -2.807 56 HG21 ILE 5 2HG2 ILE 5 -5.060 1.845 -0.418 57 HG22 ILE 5 1HG2 ILE 5 -3.869 1.269 -1.584 58 HG23 ILE 5 3HG2 ILE 5 -5.094 0.166 -0.959 59 HD11 ILE 5 3HD1 ILE 5 -8.712 -0.006 -1.269 60 HD12 ILE 5 2HD1 ILE 5 -7.064 -0.267 -0.692 61 HD13 ILE 5 1HD1 ILE 5 -7.489 -0.664 -2.357 62 H ILE 6 H ILE 6 -3.583 4.089 -1.660 63 HA ILE 6 HA ILE 6 -1.665 3.187 -3.700 64 HB ILE 6 HB ILE 6 -0.121 4.954 -2.969 65 HG12 ILE 6 2HG1 ILE 6 -1.227 5.196 -0.656 66 HG13 ILE 6 3HG1 ILE 6 -0.646 6.658 -1.441 67 HG21 ILE 6 2HG2 ILE 6 -1.511 5.340 -4.900 68 HG22 ILE 6 1HG2 ILE 6 -1.299 6.846 -4.005 69 HG23 ILE 6 3HG2 ILE 6 -2.813 5.952 -3.877 70 HD11 ILE 6 3HD1 ILE 6 -3.502 5.715 -1.368 71 HD12 ILE 6 2HD1 ILE 6 -2.918 7.193 -2.130 72 HD13 ILE 6 1HD1 ILE 6 -2.805 6.997 -0.381 73 H ALA 7 H ALA 7 0.122 2.050 -3.023 74 HA ALA 7 HA ALA 7 0.194 1.385 -0.160 75 HB1 ALA 7 HB1 ALA 7 0.204 -0.618 -2.412 76 HB2 ALA 7 HB2 ALA 7 0.437 -0.991 -0.705 77 HB3 ALA 7 HB3 ALA 7 -1.107 -0.348 -1.265 78 H VAL 8 H VAL 8 2.174 1.284 0.676 79 HA VAL 8 HA VAL 8 4.453 1.302 -1.190 80 HB VAL 8 HB VAL 8 4.404 2.263 1.677 81 HG11 VAL 8 2HG1 VAL 8 6.507 2.516 -0.469 82 HG12 VAL 8 1HG1 VAL 8 6.602 1.515 0.981 83 HG13 VAL 8 3HG1 VAL 8 6.574 3.273 1.122 84 HG21 VAL 8 3HG2 VAL 8 3.016 3.688 0.268 85 HG22 VAL 8 2HG2 VAL 8 4.341 3.866 -0.878 86 HG23 VAL 8 1HG2 VAL 8 4.489 4.529 0.749 87 H THR 9 H THR 9 5.871 -0.333 -1.111 88 HA THR 9 HA THR 9 5.533 -2.300 1.054 89 HB THR 9 HB THR 9 6.514 -3.943 -0.648 90 HG1 THR 9 HG1 THR 9 5.962 -1.703 -2.299 91 HG21 THR 9 3HG2 THR 9 4.321 -4.332 -1.689 92 HG22 THR 9 1HG2 THR 9 3.791 -2.739 -1.147 93 HG23 THR 9 2HG2 THR 9 4.179 -3.989 0.035 94 H ALA 10 H ALA 10 7.235 -2.792 2.274 95 HA ALA 10 HA ALA 10 9.944 -2.273 1.317 96 HB1 ALA 10 HB1 ALA 10 9.260 -0.161 2.365 97 HB2 ALA 10 HB2 ALA 10 8.893 -1.028 3.857 98 HB3 ALA 10 HB3 ALA 10 10.553 -0.952 3.265 99 H CYS 11 H CYS 11 11.568 -3.219 2.703 100 HA CYS 11 HA CYS 11 11.020 -4.796 4.947 101 HB2 CYS 11 HB2 CYS 11 9.761 -6.177 3.298 102 HB3 CYS 11 HB3 CYS 11 11.251 -6.405 2.391 103 HG CYS 11 HG CYS 11 10.077 -8.269 4.743 104 H ALA 12 H ALA 12 12.939 -4.282 2.075 105 HA ALA 12 HA ALA 12 15.146 -3.926 1.757 106 HB1 ALA 12 HB1 ALA 12 15.081 -2.620 3.836 107 HB2 ALA 12 HB2 ALA 12 15.436 -4.083 4.755 108 HB3 ALA 12 HB3 ALA 12 16.623 -3.448 3.615 109 H THR 13 H THR 13 15.175 -6.154 4.552 110 HA THR 13 HA THR 13 17.167 -7.811 3.370 111 HB THR 13 HB THR 13 15.333 -8.388 5.710 112 HG1 THR 13 HG1 THR 13 16.624 -6.574 6.125 113 HG21 THR 13 3HG2 THR 13 17.027 -10.027 6.368 114 HG22 THR 13 1HG2 THR 13 17.947 -9.673 4.903 115 HG23 THR 13 2HG2 THR 13 16.353 -10.418 4.787 116 H GLY 14 H GLY 14 13.667 -8.231 3.919 117 HA2 GLY 14 HA1 GLY 14 13.632 -10.659 2.334 118 HA3 GLY 14 HA2 GLY 14 12.248 -9.887 3.095 119 H VAL 15 H VAL 15 14.531 -9.551 0.426 120 HA VAL 15 HA VAL 15 13.259 -7.465 -0.929 121 HB VAL 15 HB VAL 15 14.844 -9.683 -2.226 122 HG11 VAL 15 2HG1 VAL 15 13.776 -8.217 -3.817 123 HG12 VAL 15 1HG1 VAL 15 15.511 -7.893 -3.793 124 HG13 VAL 15 3HG1 VAL 15 14.396 -6.796 -2.974 125 HG21 VAL 15 3HG2 VAL 15 16.837 -8.327 -1.790 126 HG22 VAL 15 2HG2 VAL 15 16.061 -8.847 -0.293 127 HG23 VAL 15 1HG2 VAL 15 15.857 -7.191 -0.864 128 H ALA 16 H ALA 16 12.984 -10.984 -1.410 129 HA ALA 16 HA ALA 16 11.182 -10.836 -3.574 130 HB1 ALA 16 HB1 ALA 16 12.491 -12.839 -3.056 131 HB2 ALA 16 HB2 ALA 16 11.532 -13.082 -1.595 132 HB3 ALA 16 HB3 ALA 16 10.769 -13.196 -3.182 133 H HIS 17 H HIS 17 10.691 -10.943 -0.093 134 HA HIS 17 HA HIS 17 7.900 -11.336 -0.133 135 HB2 HIS 17 HB2 HIS 17 9.689 -10.044 1.917 136 HB3 HIS 17 HB3 HIS 17 7.959 -10.255 2.157 137 HD1 HIS 17 HD1 HIS 17 7.398 -13.063 1.419 138 HD2 HIS 17 HD2 HIS 17 10.948 -11.970 3.267 139 HE1 HIS 17 HE1 HIS 17 8.223 -15.140 2.570 140 HE2 HIS 17 HE2 HIS 17 10.285 -14.412 3.825 141 H THR 18 H THR 18 9.910 -8.505 -0.447 142 HA THR 18 HA THR 18 7.932 -6.531 -0.084 143 HB THR 18 HB THR 18 10.423 -6.339 -1.795 144 HG1 THR 18 HG1 THR 18 10.759 -7.030 0.453 145 HG21 THR 18 3HG2 THR 18 10.312 -3.951 -1.262 146 HG22 THR 18 1HG2 THR 18 8.813 -4.218 -0.368 147 HG23 THR 18 2HG2 THR 18 8.862 -4.483 -2.111 148 H TYR 19 H TYR 19 9.238 -8.043 -3.037 149 HA TYR 19 HA TYR 19 7.500 -6.684 -4.815 150 HB2 TYR 19 HB2 TYR 19 9.036 -9.266 -5.120 151 HB3 TYR 19 HB3 TYR 19 8.124 -8.519 -6.423 152 HD1 TYR 19 HD2 TYR 19 8.771 -6.100 -7.062 153 HD2 TYR 19 HD1 TYR 19 11.260 -8.674 -4.761 154 HE1 TYR 19 HE2 TYR 19 10.726 -4.733 -7.655 155 HE2 TYR 19 HE1 TYR 19 13.219 -7.314 -5.352 156 HH TYR 19 HH TYR 19 12.973 -4.234 -6.750 157 H MET 20 H MET 20 7.311 -9.762 -3.114 158 HA MET 20 HA MET 20 5.074 -10.821 -4.398 159 HB2 MET 20 HB2 MET 20 6.491 -12.104 -2.851 160 HB3 MET 20 HB3 MET 20 5.861 -11.161 -1.506 161 HG2 MET 20 HG2 MET 20 4.710 -13.243 -1.552 162 HG3 MET 20 HG3 MET 20 3.588 -11.977 -2.062 163 HE1 MET 20 HE1 MET 20 5.868 -14.953 -3.229 164 HE2 MET 20 HE2 MET 20 5.622 -14.930 -4.975 165 HE3 MET 20 HE3 MET 20 6.486 -13.609 -4.187 166 H ALA 21 H ALA 21 5.219 -8.909 -1.391 167 HA ALA 21 HA ALA 21 2.454 -8.826 -0.943 168 HB1 ALA 21 HB1 ALA 21 4.505 -6.769 -0.138 169 HB2 ALA 21 HB2 ALA 21 2.907 -6.988 0.571 170 HB3 ALA 21 HB3 ALA 21 4.132 -8.242 0.755 171 H ALA 22 H ALA 22 4.580 -6.649 -2.746 172 HA ALA 22 HA ALA 22 2.720 -4.642 -3.333 173 HB1 ALA 22 HB1 ALA 22 5.031 -5.587 -5.031 174 HB2 ALA 22 HB2 ALA 22 4.211 -4.030 -5.162 175 HB3 ALA 22 HB3 ALA 22 5.134 -4.422 -3.710 176 H GLN 23 H GLN 23 3.601 -7.544 -5.152 177 HA GLN 23 HA GLN 23 1.755 -7.056 -7.268 178 HB2 GLN 23 HB2 GLN 23 3.344 -9.493 -6.463 179 HB3 GLN 23 HB3 GLN 23 2.320 -9.439 -7.893 180 HG2 GLN 23 HG2 GLN 23 3.656 -7.742 -8.883 181 HG3 GLN 23 HG3 GLN 23 4.561 -7.502 -7.391 182 HE21 GLN 23 1HE2 GLN 23 4.789 -10.335 -6.836 183 HE22 GLN 23 2HE2 GLN 23 5.967 -10.958 -7.942 184 H ALA 24 H ALA 24 1.610 -8.788 -4.235 185 HA ALA 24 HA ALA 24 -0.796 -10.212 -4.830 186 HB1 ALA 24 HB1 ALA 24 0.431 -9.566 -2.152 187 HB2 ALA 24 HB2 ALA 24 -0.839 -10.751 -2.452 188 HB3 ALA 24 HB3 ALA 24 0.774 -10.996 -3.124 189 H LEU 25 H LEU 25 -0.049 -7.197 -3.119 190 HA LEU 25 HA LEU 25 -2.669 -6.545 -2.354 191 HB2 LEU 25 HB2 LEU 25 -0.282 -4.833 -3.000 192 HB3 LEU 25 HB3 LEU 25 -1.814 -4.136 -2.505 193 HG LEU 25 HG LEU 25 -0.214 -6.093 -0.852 194 HD11 LEU 25 2HD1 LEU 25 0.964 -3.973 -1.077 195 HD12 LEU 25 1HD1 LEU 25 0.314 -4.158 0.551 196 HD13 LEU 25 3HD1 LEU 25 -0.493 -3.101 -0.604 197 HD21 LEU 25 3HD2 LEU 25 -2.621 -4.406 -0.172 198 HD22 LEU 25 2HD2 LEU 25 -1.748 -5.467 0.934 199 HD23 LEU 25 1HD2 LEU 25 -2.628 -6.149 -0.434 200 H LYS 26 H LYS 26 -0.883 -5.711 -5.308 201 HA LYS 26 HA LYS 26 -2.959 -4.303 -6.585 202 HB2 LYS 26 HB2 LYS 26 -0.609 -4.249 -7.333 203 HB3 LYS 26 HB3 LYS 26 -0.727 -5.934 -7.819 204 HG2 LYS 26 HG2 LYS 26 -2.447 -5.313 -9.469 205 HG3 LYS 26 HG3 LYS 26 -2.246 -3.621 -9.010 206 HD2 LYS 26 HD2 LYS 26 -0.046 -5.385 -10.080 207 HD3 LYS 26 HD3 LYS 26 -0.985 -4.252 -11.053 208 HE2 LYS 26 HE2 LYS 26 -0.162 -2.393 -9.749 209 HE3 LYS 26 HE3 LYS 26 0.683 -3.491 -8.658 210 HZ1 LYS 26 HZ1 LYS 26 2.130 -2.459 -10.357 211 HZ2 LYS 26 HZ2 LYS 26 1.258 -3.274 -11.563 212 HZ3 LYS 26 HZ3 LYS 26 2.134 -4.151 -10.409 213 H LYS 27 H LYS 27 -2.036 -7.698 -6.627 214 HA LYS 27 HA LYS 27 -3.862 -8.744 -8.433 215 HB2 LYS 27 HB2 LYS 27 -1.973 -9.948 -7.426 216 HB3 LYS 27 HB3 LYS 27 -2.781 -9.928 -5.871 217 HG2 LYS 27 HG2 LYS 27 -4.563 -11.345 -6.812 218 HG3 LYS 27 HG3 LYS 27 -3.662 -11.412 -8.335 219 HD2 LYS 27 HD2 LYS 27 -1.719 -12.312 -7.088 220 HD3 LYS 27 HD3 LYS 27 -2.710 -12.352 -5.632 221 HE2 LYS 27 HE2 LYS 27 -4.217 -13.945 -6.677 222 HE3 LYS 27 HE3 LYS 27 -3.286 -13.867 -8.174 223 HZ1 LYS 27 HZ1 LYS 27 -2.673 -15.810 -6.876 224 HZ2 LYS 27 HZ2 LYS 27 -2.273 -14.836 -5.552 225 HZ3 LYS 27 HZ3 LYS 27 -1.367 -14.737 -6.978 226 H GLY 28 H GLY 28 -4.198 -8.340 -4.910 227 HA2 GLY 28 HA1 GLY 28 -6.864 -9.329 -4.809 228 HA3 GLY 28 HA2 GLY 28 -6.041 -8.439 -3.539 229 H ALA 29 H ALA 29 -5.502 -6.099 -5.133 230 HA ALA 29 HA ALA 29 -7.866 -4.669 -4.603 231 HB1 ALA 29 HB1 ALA 29 -6.773 -2.786 -5.722 232 HB2 ALA 29 HB2 ALA 29 -5.689 -3.598 -4.591 233 HB3 ALA 29 HB3 ALA 29 -5.525 -3.878 -6.326 234 H LYS 30 H LYS 30 -6.445 -5.721 -7.699 235 HA LYS 30 HA LYS 30 -8.599 -4.689 -9.246 236 HB2 LYS 30 HB2 LYS 30 -7.617 -5.861 -11.118 237 HB3 LYS 30 HB3 LYS 30 -6.350 -5.089 -10.180 238 HG2 LYS 30 HG2 LYS 30 -5.906 -7.289 -9.099 239 HG3 LYS 30 HG3 LYS 30 -7.058 -8.011 -10.224 240 HD2 LYS 30 HD2 LYS 30 -4.496 -6.578 -10.919 241 HD3 LYS 30 HD3 LYS 30 -4.825 -8.303 -11.086 242 HE2 LYS 30 HE2 LYS 30 -6.531 -7.832 -12.758 243 HE3 LYS 30 HE3 LYS 30 -6.263 -6.100 -12.566 244 HZ1 LYS 30 HZ1 LYS 30 -5.085 -6.817 -14.484 245 HZ2 LYS 30 HZ2 LYS 30 -4.362 -8.104 -13.652 246 HZ3 LYS 30 HZ3 LYS 30 -3.927 -6.507 -13.285 247 H LYS 31 H LYS 31 -8.056 -7.653 -7.535 248 HA LYS 31 HA LYS 31 -10.097 -9.208 -8.741 249 HB2 LYS 31 HB2 LYS 31 -8.262 -10.113 -7.310 250 HB3 LYS 31 HB3 LYS 31 -9.025 -9.363 -5.916 251 HG2 LYS 31 HG2 LYS 31 -9.598 -11.672 -5.929 252 HG3 LYS 31 HG3 LYS 31 -11.042 -10.748 -6.353 253 HD2 LYS 31 HD2 LYS 31 -10.657 -11.230 -8.722 254 HD3 LYS 31 HD3 LYS 31 -9.207 -12.146 -8.302 255 HE2 LYS 31 HE2 LYS 31 -10.616 -13.670 -6.953 256 HE3 LYS 31 HE3 LYS 31 -12.041 -12.788 -7.504 257 HZ1 LYS 31 HZ1 LYS 31 -11.651 -14.802 -8.799 258 HZ2 LYS 31 HZ2 LYS 31 -10.126 -14.225 -9.265 259 HZ3 LYS 31 HZ3 LYS 31 -11.529 -13.416 -9.773 260 H MET 32 H MET 32 -9.996 -7.113 -5.892 261 HA MET 32 HA MET 32 -12.755 -7.511 -5.236 262 HB2 MET 32 HB2 MET 32 -10.703 -5.516 -4.285 263 HB3 MET 32 HB3 MET 32 -12.347 -5.580 -3.664 264 HG2 MET 32 HG2 MET 32 -10.379 -7.853 -3.548 265 HG3 MET 32 HG3 MET 32 -10.705 -6.730 -2.228 266 HE1 MET 32 HE1 MET 32 -13.103 -6.560 -0.991 267 HE2 MET 32 HE2 MET 32 -13.844 -6.283 -2.569 268 HE3 MET 32 HE3 MET 32 -14.500 -7.514 -1.489 269 H GLY 33 H GLY 33 -11.077 -5.468 -7.411 270 HA2 GLY 33 HA1 GLY 33 -12.174 -4.286 -9.137 271 HA3 GLY 33 HA2 GLY 33 -13.620 -4.218 -8.140 272 H ASN 34 H ASN 34 -10.308 -3.289 -7.271 273 HA ASN 34 HA ASN 34 -11.248 -0.499 -7.070 274 HB2 ASN 34 HB2 ASN 34 -9.202 -1.800 -5.257 275 HB3 ASN 34 HB3 ASN 34 -9.859 -0.173 -5.113 276 HD21 ASN 34 1HD2 ASN 34 -10.239 -3.450 -4.312 277 HD22 ASN 34 2HD2 ASN 34 -11.729 -3.311 -3.445 278 H LEU 35 H LEU 35 -9.105 0.943 -6.777 279 HA LEU 35 HA LEU 35 -7.232 0.095 -8.897 280 HB2 LEU 35 HB2 LEU 35 -8.256 2.880 -8.317 281 HB3 LEU 35 HB3 LEU 35 -7.008 2.495 -9.487 282 HG LEU 35 HG LEU 35 -9.888 1.591 -9.631 283 HD11 LEU 35 2HD1 LEU 35 -9.639 3.967 -10.072 284 HD12 LEU 35 1HD1 LEU 35 -10.007 3.093 -11.560 285 HD13 LEU 35 3HD1 LEU 35 -8.358 3.631 -11.237 286 HD21 LEU 35 3HD2 LEU 35 -9.305 0.756 -11.841 287 HD22 LEU 35 2HD2 LEU 35 -8.341 -0.040 -10.598 288 HD23 LEU 35 1HD2 LEU 35 -7.624 1.231 -11.589 289 H ILE 36 H ILE 36 -5.142 0.041 -8.306 290 HA ILE 36 HA ILE 36 -4.384 1.447 -5.841 291 HB ILE 36 HB ILE 36 -4.848 -0.913 -5.320 292 HG12 ILE 36 2HG1 ILE 36 -1.916 -0.187 -5.183 293 HG13 ILE 36 3HG1 ILE 36 -3.152 0.348 -4.052 294 HG21 ILE 36 2HG2 ILE 36 -2.614 -1.494 -7.261 295 HG22 ILE 36 1HG2 ILE 36 -4.317 -1.913 -7.466 296 HG23 ILE 36 3HG2 ILE 36 -3.369 -2.673 -6.186 297 HD11 ILE 36 3HD1 ILE 36 -3.527 -1.980 -3.383 298 HD12 ILE 36 2HD1 ILE 36 -1.859 -1.470 -3.119 299 HD13 ILE 36 1HD1 ILE 36 -2.260 -2.491 -4.499 300 H LYS 37 H LYS 37 -2.463 2.413 -5.836 301 HA LYS 37 HA LYS 37 -0.576 1.806 -8.019 302 HB2 LYS 37 HB2 LYS 37 -0.987 4.415 -6.533 303 HB3 LYS 37 HB3 LYS 37 0.310 4.122 -7.685 304 HG2 LYS 37 HG2 LYS 37 -2.640 4.072 -8.292 305 HG3 LYS 37 HG3 LYS 37 -1.512 5.364 -8.709 306 HD2 LYS 37 HD2 LYS 37 -1.237 2.517 -9.661 307 HD3 LYS 37 HD3 LYS 37 -2.055 3.782 -10.579 308 HE2 LYS 37 HE2 LYS 37 0.800 3.978 -9.641 309 HE3 LYS 37 HE3 LYS 37 0.335 3.357 -11.223 310 HZ1 LYS 37 HZ1 LYS 37 -0.246 6.083 -10.192 311 HZ2 LYS 37 HZ2 LYS 37 -0.714 5.488 -11.704 312 HZ3 LYS 37 HZ3 LYS 37 0.931 5.687 -11.341 313 H VAL 38 H VAL 38 0.978 0.555 -7.276 314 HA VAL 38 HA VAL 38 1.661 0.744 -4.431 315 HB VAL 38 HB VAL 38 0.907 -1.453 -5.235 316 HG11 VAL 38 2HG1 VAL 38 1.716 -1.362 -7.520 317 HG12 VAL 38 1HG1 VAL 38 2.331 -2.799 -6.702 318 HG13 VAL 38 3HG1 VAL 38 3.385 -1.406 -6.948 319 HG21 VAL 38 3HG2 VAL 38 2.730 -2.786 -4.281 320 HG22 VAL 38 2HG2 VAL 38 2.398 -1.342 -3.322 321 HG23 VAL 38 1HG2 VAL 38 3.800 -1.389 -4.392 322 H GLU 39 H GLU 39 3.624 1.201 -3.710 323 HA GLU 39 HA GLU 39 5.749 1.745 -5.677 324 HB2 GLU 39 HB2 GLU 39 5.063 3.735 -4.465 325 HB3 GLU 39 HB3 GLU 39 5.259 2.909 -2.927 326 HG2 GLU 39 HG2 GLU 39 7.651 2.784 -3.263 327 HG3 GLU 39 HG3 GLU 39 7.489 3.515 -4.859 328 H THR 40 H THR 40 7.785 0.891 -5.354 329 HA THR 40 HA THR 40 8.014 -1.074 -3.175 330 HB THR 40 HB THR 40 9.502 -1.062 -5.811 331 HG1 THR 40 HG1 THR 40 7.225 -2.532 -4.919 332 HG21 THR 40 3HG2 THR 40 9.320 -3.149 -3.631 333 HG22 THR 40 1HG2 THR 40 10.733 -2.158 -4.002 334 HG23 THR 40 2HG2 THR 40 10.155 -3.345 -5.173 335 H GLN 41 H GLN 41 9.213 -0.261 -1.565 336 HA GLN 41 HA GLN 41 11.579 1.335 -2.281 337 HB2 GLN 41 HB2 GLN 41 9.461 2.677 -1.637 338 HB3 GLN 41 HB3 GLN 41 9.768 2.105 -0.006 339 HG2 GLN 41 HG2 GLN 41 11.768 3.293 0.160 340 HG3 GLN 41 HG3 GLN 41 11.875 3.517 -1.588 341 HE21 GLN 41 1HE2 GLN 41 10.523 5.019 -2.585 342 HE22 GLN 41 2HE2 GLN 41 9.750 6.287 -1.709 343 H GLY 42 H GLY 42 13.134 -0.036 -1.622 344 HA2 GLY 42 HA1 GLY 42 12.847 -1.928 0.447 345 HA3 GLY 42 HA2 GLY 42 14.376 -1.411 -0.256 346 H ALA 43 H ALA 43 14.595 1.133 0.377 347 HA ALA 43 HA ALA 43 13.811 2.047 2.882 348 HB1 ALA 43 HB1 ALA 43 16.566 0.799 2.933 349 HB2 ALA 43 HB2 ALA 43 15.838 1.764 4.218 350 HB3 ALA 43 HB3 ALA 43 15.150 0.195 3.795 351 H THR 44 H THR 44 16.594 1.828 0.717 352 HA THR 44 HA THR 44 16.711 4.777 0.673 353 HB THR 44 HB THR 44 19.009 2.962 -0.055 354 HG1 THR 44 HG1 THR 44 18.782 2.432 2.039 355 HG21 THR 44 3HG2 THR 44 19.163 5.293 -0.785 356 HG22 THR 44 1HG2 THR 44 20.345 4.953 0.481 357 HG23 THR 44 2HG2 THR 44 18.869 5.837 0.866 358 H GLY 45 H GLY 45 16.447 1.835 -1.132 359 HA2 GLY 45 HA1 GLY 45 16.806 3.153 -3.711 360 HA3 GLY 45 HA2 GLY 45 16.495 1.442 -3.441 361 H ILE 46 H ILE 46 15.202 3.620 -5.127 362 HA ILE 46 HA ILE 46 12.448 3.372 -4.093 363 HB ILE 46 HB ILE 46 13.294 5.592 -5.919 364 HG12 ILE 46 2HG1 ILE 46 14.850 5.633 -3.981 365 HG13 ILE 46 3HG1 ILE 46 13.799 7.042 -4.046 366 HG21 ILE 46 2HG2 ILE 46 10.918 5.192 -5.547 367 HG22 ILE 46 1HG2 ILE 46 11.417 6.749 -4.884 368 HG23 ILE 46 3HG2 ILE 46 11.156 5.375 -3.808 369 HD11 ILE 46 3HD1 ILE 46 14.069 6.249 -1.777 370 HD12 ILE 46 2HD1 ILE 46 13.465 4.659 -2.242 371 HD13 ILE 46 1HD1 ILE 46 12.396 6.063 -2.303 372 H GLU 47 H GLU 47 11.300 2.002 -5.358 373 HA GLU 47 HA GLU 47 11.841 2.092 -8.250 374 HB2 GLU 47 HB2 GLU 47 10.695 -0.189 -6.627 375 HB3 GLU 47 HB3 GLU 47 10.937 -0.196 -8.372 376 HG2 GLU 47 HG2 GLU 47 13.398 0.277 -7.844 377 HG3 GLU 47 HG3 GLU 47 12.996 -0.194 -6.194 378 H ASN 48 H ASN 48 10.216 2.381 -9.642 379 HA ASN 48 HA ASN 48 8.262 3.144 -10.473 380 HB2 ASN 48 HB2 ASN 48 7.150 1.296 -9.218 381 HB3 ASN 48 HB3 ASN 48 6.973 2.378 -7.842 382 HD21 ASN 48 1HD2 ASN 48 4.706 2.108 -7.967 383 HD22 ASN 48 2HD2 ASN 48 3.781 2.947 -9.164 384 H GLU 49 H GLU 49 8.339 3.980 -7.012 385 HA GLU 49 HA GLU 49 8.417 5.945 -5.907 386 HB2 GLU 49 HB2 GLU 49 10.364 6.322 -7.434 387 HB3 GLU 49 HB3 GLU 49 9.285 7.182 -8.524 388 HG2 GLU 49 HG2 GLU 49 8.905 8.898 -6.922 389 HG3 GLU 49 HG3 GLU 49 9.724 7.981 -5.658 390 H LEU 50 H LEU 50 6.437 6.453 -5.295 391 HA LEU 50 HA LEU 50 4.450 7.338 -7.201 392 HB2 LEU 50 HB2 LEU 50 4.356 7.052 -4.200 393 HB3 LEU 50 HB3 LEU 50 2.988 7.523 -5.190 394 HG LEU 50 HG LEU 50 4.423 4.865 -5.292 395 HD11 LEU 50 2HD1 LEU 50 1.678 5.632 -4.301 396 HD12 LEU 50 1HD1 LEU 50 3.040 5.098 -3.315 397 HD13 LEU 50 3HD1 LEU 50 2.284 3.984 -4.455 398 HD21 LEU 50 3HD2 LEU 50 3.640 5.528 -7.500 399 HD22 LEU 50 2HD2 LEU 50 2.034 5.850 -6.847 400 HD23 LEU 50 1HD2 LEU 50 2.667 4.202 -6.861 401 H THR 51 H THR 51 4.572 9.320 -7.946 402 HA THR 51 HA THR 51 5.730 11.490 -6.513 403 HB THR 51 HB THR 51 4.792 12.880 -8.393 404 HG1 THR 51 HG1 THR 51 4.196 10.542 -9.806 405 HG21 THR 51 3HG2 THR 51 6.288 11.955 -10.096 406 HG22 THR 51 1HG2 THR 51 6.388 10.442 -9.193 407 HG23 THR 51 2HG2 THR 51 7.045 11.926 -8.503 408 H GLU 52 H GLU 52 4.510 13.554 -6.193 409 HA GLU 52 HA GLU 52 2.571 13.300 -4.246 410 HB2 GLU 52 HB2 GLU 52 3.997 15.328 -4.902 411 HB3 GLU 52 HB3 GLU 52 2.745 15.683 -6.082 412 HG2 GLU 52 HG2 GLU 52 2.365 17.005 -4.136 413 HG3 GLU 52 HG3 GLU 52 1.100 15.780 -4.235 414 H LYS 53 H LYS 53 2.193 13.506 -7.712 415 HA LYS 53 HA LYS 53 -0.557 14.007 -7.857 416 HB2 LYS 53 HB2 LYS 53 0.894 14.210 -9.791 417 HB3 LYS 53 HB3 LYS 53 1.272 12.498 -9.733 418 HG2 LYS 53 HG2 LYS 53 -1.586 13.155 -10.005 419 HG3 LYS 53 HG3 LYS 53 -0.562 13.593 -11.374 420 HD2 LYS 53 HD2 LYS 53 -0.797 10.853 -10.121 421 HD3 LYS 53 HD3 LYS 53 -1.478 11.353 -11.670 422 HE2 LYS 53 HE2 LYS 53 0.806 11.809 -12.491 423 HE3 LYS 53 HE3 LYS 53 1.452 11.222 -10.959 424 HZ1 LYS 53 HZ1 LYS 53 0.332 9.065 -11.456 425 HZ2 LYS 53 HZ2 LYS 53 1.583 9.466 -12.527 426 HZ3 LYS 53 HZ3 LYS 53 -0.029 9.662 -13.006 427 H ASP 54 H ASP 54 1.146 10.862 -8.061 428 HA ASP 54 HA ASP 54 -1.258 9.357 -8.150 429 HB2 ASP 54 HB2 ASP 54 1.569 8.543 -7.471 430 HB3 ASP 54 HB3 ASP 54 0.236 7.400 -7.604 431 H VAL 55 H VAL 55 0.834 10.410 -5.590 432 HA VAL 55 HA VAL 55 -0.168 8.844 -3.498 433 HB VAL 55 HB VAL 55 1.068 11.595 -3.505 434 HG11 VAL 55 2HG1 VAL 55 1.548 11.103 -1.088 435 HG12 VAL 55 1HG1 VAL 55 0.356 9.807 -1.201 436 HG13 VAL 55 3HG1 VAL 55 -0.126 11.479 -1.478 437 HG21 VAL 55 3HG2 VAL 55 2.509 9.836 -4.340 438 HG22 VAL 55 2HG2 VAL 55 2.186 8.863 -2.904 439 HG23 VAL 55 1HG2 VAL 55 3.065 10.385 -2.759 440 H ASN 56 H ASN 56 -1.299 11.891 -4.869 441 HA ASN 56 HA ASN 56 -3.399 12.029 -2.856 442 HB2 ASN 56 HB2 ASN 56 -2.464 13.967 -4.965 443 HB3 ASN 56 HB3 ASN 56 -3.946 14.219 -4.037 444 HD21 ASN 56 1HD2 ASN 56 -0.482 14.062 -3.919 445 HD22 ASN 56 2HD2 ASN 56 -0.290 14.756 -2.338 446 H ILE 57 H ILE 57 -3.035 10.351 -5.570 447 HA ILE 57 HA ILE 57 -5.731 10.634 -6.579 448 HB ILE 57 HB ILE 57 -3.619 8.525 -7.091 449 HG12 ILE 57 2HG1 ILE 57 -3.114 10.716 -8.064 450 HG13 ILE 57 3HG1 ILE 57 -3.489 9.546 -9.324 451 HG21 ILE 57 2HG2 ILE 57 -6.321 8.822 -8.400 452 HG22 ILE 57 1HG2 ILE 57 -5.842 7.538 -7.290 453 HG23 ILE 57 3HG2 ILE 57 -5.065 7.675 -8.868 454 HD11 ILE 57 3HD1 ILE 57 -5.347 11.658 -8.258 455 HD12 ILE 57 2HD1 ILE 57 -5.738 10.482 -9.513 456 HD13 ILE 57 1HD1 ILE 57 -4.490 11.696 -9.799 457 H GLY 58 H GLY 58 -3.872 8.258 -4.714 458 HA2 GLY 58 HA1 GLY 58 -6.095 6.624 -4.029 459 HA3 GLY 58 HA2 GLY 58 -4.522 6.625 -3.239 460 H GLU 59 H GLU 59 -7.304 6.524 -2.168 461 HA GLU 59 HA GLU 59 -7.414 9.058 -0.698 462 HB2 GLU 59 HB2 GLU 59 -9.709 8.303 -0.055 463 HB3 GLU 59 HB3 GLU 59 -9.476 8.511 -1.783 464 HG2 GLU 59 HG2 GLU 59 -9.015 5.998 -1.838 465 HG3 GLU 59 HG3 GLU 59 -9.718 5.969 -0.221 466 H VAL 60 H VAL 60 -6.984 5.609 -0.247 467 HA VAL 60 HA VAL 60 -6.249 6.173 2.530 468 HB VAL 60 HB VAL 60 -8.289 4.822 2.473 469 HG11 VAL 60 2HG1 VAL 60 -8.266 2.538 1.561 470 HG12 VAL 60 1HG1 VAL 60 -6.664 2.834 0.889 471 HG13 VAL 60 3HG1 VAL 60 -8.047 3.756 0.303 472 HG21 VAL 60 3HG2 VAL 60 -5.851 3.282 3.287 473 HG22 VAL 60 2HG2 VAL 60 -7.495 2.937 3.819 474 HG23 VAL 60 1HG2 VAL 60 -6.725 4.460 4.262 475 H VAL 61 H VAL 61 -4.348 5.143 3.282 476 HA VAL 61 HA VAL 61 -2.636 4.154 1.096 477 HB VAL 61 HB VAL 61 -1.637 5.418 3.645 478 HG11 VAL 61 2HG1 VAL 61 -0.352 4.941 0.960 479 HG12 VAL 61 1HG1 VAL 61 -0.050 4.028 2.439 480 HG13 VAL 61 3HG1 VAL 61 0.410 5.729 2.341 481 HG21 VAL 61 3HG2 VAL 61 -2.153 6.775 0.999 482 HG22 VAL 61 2HG2 VAL 61 -1.330 7.498 2.380 483 HG23 VAL 61 1HG2 VAL 61 -3.032 7.058 2.500 484 H ILE 62 H ILE 62 -1.746 2.200 1.278 485 HA ILE 62 HA ILE 62 -1.909 0.842 3.891 486 HB ILE 62 HB ILE 62 -1.863 -0.385 1.125 487 HG12 ILE 62 2HG1 ILE 62 -4.044 -0.278 3.221 488 HG13 ILE 62 3HG1 ILE 62 -4.021 0.629 1.711 489 HG21 ILE 62 2HG2 ILE 62 -0.652 -1.787 2.692 490 HG22 ILE 62 1HG2 ILE 62 -2.199 -2.533 2.287 491 HG23 ILE 62 3HG2 ILE 62 -1.994 -1.708 3.831 492 HD11 ILE 62 3HD1 ILE 62 -4.114 -1.476 0.462 493 HD12 ILE 62 2HD1 ILE 62 -5.491 -1.282 1.547 494 HD13 ILE 62 1HD1 ILE 62 -4.171 -2.365 1.985 495 H PHE 63 H PHE 63 -0.042 0.316 4.845 496 HA PHE 63 HA PHE 63 2.404 0.410 3.207 497 HB2 PHE 63 HB2 PHE 63 1.926 1.096 6.098 498 HB3 PHE 63 HB3 PHE 63 3.537 0.706 5.509 499 HD1 PHE 63 HD2 PHE 63 0.816 3.141 5.439 500 HD2 PHE 63 HD1 PHE 63 4.719 2.194 4.042 501 HE1 PHE 63 HE2 PHE 63 1.124 5.475 4.728 502 HE2 PHE 63 HE1 PHE 63 5.036 4.525 3.329 503 HZ PHE 63 HZ PHE 63 3.241 6.165 3.670 504 H ALA 64 H ALA 64 2.742 -1.656 2.607 505 HA ALA 64 HA ALA 64 2.804 -3.709 4.696 506 HB1 ALA 64 HB1 ALA 64 3.258 -3.968 1.718 507 HB2 ALA 64 HB2 ALA 64 3.168 -5.296 2.874 508 HB3 ALA 64 HB3 ALA 64 1.742 -4.308 2.553 509 H VAL 65 H VAL 65 4.593 -3.134 5.878 510 HA VAL 65 HA VAL 65 7.145 -3.042 4.435 511 HB VAL 65 HB VAL 65 7.874 -1.096 5.781 512 HG11 VAL 65 2HG1 VAL 65 7.068 -0.764 3.499 513 HG12 VAL 65 1HG1 VAL 65 6.644 0.607 4.527 514 HG13 VAL 65 3HG1 VAL 65 5.418 -0.587 4.102 515 HG21 VAL 65 3HG2 VAL 65 6.320 -1.332 7.653 516 HG22 VAL 65 2HG2 VAL 65 4.970 -0.922 6.591 517 HG23 VAL 65 1HG2 VAL 65 6.216 0.278 6.939 518 H ASP 66 H ASP 66 8.928 -3.651 5.589 519 HA ASP 66 HA ASP 66 8.471 -4.645 8.327 520 HB2 ASP 66 HB2 ASP 66 9.054 -6.338 6.496 521 HB3 ASP 66 HB3 ASP 66 10.642 -5.582 6.442 522 H THR 67 H THR 67 9.532 -2.104 6.781 523 HA THR 67 HA THR 67 11.419 -1.323 8.803 524 HB THR 67 HB THR 67 12.862 -2.504 7.131 525 HG1 THR 67 HG1 THR 67 14.183 -1.082 7.957 526 HG21 THR 67 3HG2 THR 67 11.974 -0.290 5.280 527 HG22 THR 67 1HG2 THR 67 11.582 -2.002 5.115 528 HG23 THR 67 2HG2 THR 67 13.252 -1.461 4.950 529 H LYS 68 H LYS 68 12.367 0.998 7.689 530 HA LYS 68 HA LYS 68 9.922 2.570 7.542 531 HB2 LYS 68 HB2 LYS 68 11.353 4.501 7.852 532 HB3 LYS 68 HB3 LYS 68 11.793 3.266 9.026 533 HG2 LYS 68 HG2 LYS 68 13.704 2.625 7.698 534 HG3 LYS 68 HG3 LYS 68 13.234 3.764 6.433 535 HD2 LYS 68 HD2 LYS 68 13.607 5.629 7.926 536 HD3 LYS 68 HD3 LYS 68 13.950 4.528 9.262 537 HE2 LYS 68 HE2 LYS 68 15.542 4.651 6.706 538 HE3 LYS 68 HE3 LYS 68 15.982 5.501 8.186 539 HZ1 LYS 68 HZ1 LYS 68 15.527 2.588 8.256 540 HZ2 LYS 68 HZ2 LYS 68 16.499 3.547 9.261 541 HZ3 LYS 68 HZ3 LYS 68 17.004 3.195 7.684 542 H VAL 69 H VAL 69 9.897 4.431 5.985 543 HA VAL 69 HA VAL 69 11.270 3.887 3.464 544 HB VAL 69 HB VAL 69 9.297 4.309 2.127 545 HG11 VAL 69 2HG1 VAL 69 9.745 1.998 2.731 546 HG12 VAL 69 1HG1 VAL 69 8.013 2.292 2.576 547 HG13 VAL 69 3HG1 VAL 69 8.749 2.173 4.175 548 HG21 VAL 69 3HG2 VAL 69 8.105 5.808 3.592 549 HG22 VAL 69 2HG2 VAL 69 7.799 4.494 4.731 550 HG23 VAL 69 1HG2 VAL 69 7.064 4.463 3.126 551 H ARG 70 H ARG 70 10.833 5.820 1.925 552 HA ARG 70 HA ARG 70 11.615 8.186 3.450 553 HB2 ARG 70 HB2 ARG 70 13.108 7.396 1.663 554 HB3 ARG 70 HB3 ARG 70 11.808 7.578 0.493 555 HG2 ARG 70 HG2 ARG 70 11.769 10.009 1.012 556 HG3 ARG 70 HG3 ARG 70 13.190 9.761 2.029 557 HD2 ARG 70 HD2 ARG 70 14.375 8.838 0.057 558 HD3 ARG 70 HD3 ARG 70 12.975 9.248 -0.933 559 HE ARG 70 HE ARG 70 14.074 11.453 0.574 560 HH11 ARG 70 2HH1 ARG 70 14.106 9.708 -2.470 561 HH12 ARG 70 1HH1 ARG 70 14.863 11.001 -3.351 562 HH21 ARG 70 2HH2 ARG 70 15.058 13.159 -0.582 563 HH22 ARG 70 1HH2 ARG 70 15.396 12.961 -2.280 564 H ASN 71 H ASN 71 9.401 7.202 0.875 565 HA ASN 71 HA ASN 71 8.385 9.847 0.513 566 HB2 ASN 71 HB2 ASN 71 7.504 7.198 -0.623 567 HB3 ASN 71 HB3 ASN 71 6.744 8.729 -1.036 568 HD21 ASN 71 1HD2 ASN 71 8.049 6.967 -2.845 569 HD22 ASN 71 2HD2 ASN 71 9.404 7.832 -3.501 570 H LYS 72 H LYS 72 7.787 7.623 2.865 571 HA LYS 72 HA LYS 72 5.106 7.422 3.314 572 HB2 LYS 72 HB2 LYS 72 6.673 6.381 4.794 573 HB3 LYS 72 HB3 LYS 72 7.323 7.931 5.296 574 HG2 LYS 72 HG2 LYS 72 5.255 8.460 6.435 575 HG3 LYS 72 HG3 LYS 72 4.533 6.956 5.859 576 HD2 LYS 72 HD2 LYS 72 5.266 6.709 8.159 577 HD3 LYS 72 HD3 LYS 72 6.233 5.685 7.100 578 HE2 LYS 72 HE2 LYS 72 7.653 6.765 8.735 579 HE3 LYS 72 HE3 LYS 72 8.016 7.377 7.121 580 HZ1 LYS 72 HZ1 LYS 72 6.970 9.405 7.578 581 HZ2 LYS 72 HZ2 LYS 72 7.833 9.058 8.997 582 HZ3 LYS 72 HZ3 LYS 72 6.158 8.791 8.938 583 H GLU 73 H GLU 73 7.048 10.296 3.646 584 HA GLU 73 HA GLU 73 5.475 11.720 5.452 585 HB2 GLU 73 HB2 GLU 73 7.211 12.827 3.248 586 HB3 GLU 73 HB3 GLU 73 6.635 13.720 4.649 587 HG2 GLU 73 HG2 GLU 73 8.582 11.436 4.588 588 HG3 GLU 73 HG3 GLU 73 8.864 13.096 5.111 589 H ARG 74 H ARG 74 4.914 11.219 2.022 590 HA ARG 74 HA ARG 74 2.978 13.384 1.939 591 HB2 ARG 74 HB2 ARG 74 2.690 12.704 -0.412 592 HB3 ARG 74 HB3 ARG 74 4.369 13.029 -0.004 593 HG2 ARG 74 HG2 ARG 74 4.352 10.416 0.459 594 HG3 ARG 74 HG3 ARG 74 3.043 10.486 -0.719 595 HD2 ARG 74 HD2 ARG 74 5.156 10.091 -1.840 596 HD3 ARG 74 HD3 ARG 74 4.510 11.672 -2.260 597 HE ARG 74 HE ARG 74 6.229 12.034 -0.115 598 HH11 ARG 74 2HH1 ARG 74 6.425 10.925 -3.423 599 HH12 ARG 74 1HH1 ARG 74 8.018 11.569 -3.681 600 HH21 ARG 74 2HH2 ARG 74 8.323 12.927 -0.464 601 HH22 ARG 74 1HH2 ARG 74 9.081 12.728 -2.010 602 H PHE 75 H PHE 75 3.006 10.059 2.700 603 HA PHE 75 HA PHE 75 0.168 9.697 2.133 604 HB2 PHE 75 HB2 PHE 75 2.122 7.755 3.369 605 HB3 PHE 75 HB3 PHE 75 0.544 7.387 2.706 606 HD1 PHE 75 HD2 PHE 75 0.204 7.724 0.196 607 HD2 PHE 75 HD1 PHE 75 4.020 7.615 2.060 608 HE1 PHE 75 HE2 PHE 75 1.247 7.201 -1.970 609 HE2 PHE 75 HE1 PHE 75 5.072 7.086 -0.093 610 HZ PHE 75 HZ PHE 75 3.685 6.879 -2.117 611 H ASP 76 H ASP 76 2.249 10.633 4.600 612 HA ASP 76 HA ASP 76 1.278 9.336 6.864 613 HB2 ASP 76 HB2 ASP 76 3.413 10.463 6.874 614 HB3 ASP 76 HB3 ASP 76 2.637 12.020 6.605 615 H GLY 77 H GLY 77 0.365 12.515 5.547 616 HA2 GLY 77 HA1 GLY 77 -1.452 12.969 7.763 617 HA3 GLY 77 HA2 GLY 77 -1.144 14.059 6.422 618 H LYS 78 H LYS 78 -2.001 10.722 5.908 619 HA LYS 78 HA LYS 78 -4.705 11.574 5.106 620 HB2 LYS 78 HB2 LYS 78 -2.999 9.437 3.811 621 HB3 LYS 78 HB3 LYS 78 -4.643 9.848 3.353 622 HG2 LYS 78 HG2 LYS 78 -3.978 11.962 2.523 623 HG3 LYS 78 HG3 LYS 78 -2.366 11.802 3.230 624 HD2 LYS 78 HD2 LYS 78 -1.935 9.879 1.758 625 HD3 LYS 78 HD3 LYS 78 -3.526 10.100 1.023 626 HE2 LYS 78 HE2 LYS 78 -1.351 12.169 1.058 627 HE3 LYS 78 HE3 LYS 78 -1.647 11.071 -0.284 628 HZ1 LYS 78 HZ1 LYS 78 -3.540 13.114 0.769 629 HZ2 LYS 78 HZ2 LYS 78 -3.896 12.018 -0.475 630 HZ3 LYS 78 HZ3 LYS 78 -2.692 13.192 -0.696 631 H VAL 79 H VAL 79 -3.888 8.316 4.717 632 HA VAL 79 HA VAL 79 -4.930 7.531 7.344 633 HB VAL 79 HB VAL 79 -5.929 6.322 4.754 634 HG11 VAL 79 2HG1 VAL 79 -6.789 5.914 7.614 635 HG12 VAL 79 1HG1 VAL 79 -5.896 4.766 6.617 636 HG13 VAL 79 3HG1 VAL 79 -7.557 5.192 6.202 637 HG21 VAL 79 3HG2 VAL 79 -7.329 8.247 6.606 638 HG22 VAL 79 2HG2 VAL 79 -8.092 7.381 5.272 639 HG23 VAL 79 1HG2 VAL 79 -6.825 8.563 4.945 640 H VAL 80 H VAL 80 -3.455 6.184 8.186 641 HA VAL 80 HA VAL 80 -1.712 4.754 6.290 642 HB VAL 80 HB VAL 80 -1.090 5.627 9.118 643 HG11 VAL 80 2HG1 VAL 80 1.189 4.904 8.647 644 HG12 VAL 80 1HG1 VAL 80 0.702 4.365 7.041 645 HG13 VAL 80 3HG1 VAL 80 0.066 3.556 8.471 646 HG21 VAL 80 3HG2 VAL 80 0.458 7.212 8.057 647 HG22 VAL 80 2HG2 VAL 80 -1.214 7.518 7.584 648 HG23 VAL 80 1HG2 VAL 80 -0.117 6.702 6.469 649 H LEU 81 H LEU 81 -2.574 2.764 6.096 650 HA LEU 81 HA LEU 81 -3.050 1.207 8.541 651 HB2 LEU 81 HB2 LEU 81 -4.673 1.243 6.546 652 HB3 LEU 81 HB3 LEU 81 -3.473 0.300 5.693 653 HG LEU 81 HG LEU 81 -5.380 -1.005 6.687 654 HD11 LEU 81 2HD1 LEU 81 -2.604 -1.714 7.618 655 HD12 LEU 81 1HD1 LEU 81 -3.324 -2.123 6.060 656 HD13 LEU 81 3HD1 LEU 81 -3.973 -2.822 7.544 657 HD21 LEU 81 3HD2 LEU 81 -4.003 -0.321 9.279 658 HD22 LEU 81 2HD2 LEU 81 -5.314 -1.482 9.078 659 HD23 LEU 81 1HD2 LEU 81 -5.600 0.231 8.773 660 H GLU 82 H GLU 82 -1.128 0.544 9.327 661 HA GLU 82 HA GLU 82 0.953 -0.276 7.426 662 HB2 GLU 82 HB2 GLU 82 1.452 1.583 9.023 663 HB3 GLU 82 HB3 GLU 82 1.258 0.442 10.346 664 HG2 GLU 82 HG2 GLU 82 3.123 -0.869 9.519 665 HG3 GLU 82 HG3 GLU 82 3.297 0.223 8.145 666 H VAL 83 H VAL 83 1.428 -2.339 7.225 667 HA VAL 83 HA VAL 83 1.154 -4.151 9.512 668 HB VAL 83 HB VAL 83 0.218 -5.919 8.004 669 HG11 VAL 83 2HG1 VAL 83 -1.246 -4.751 9.547 670 HG12 VAL 83 1HG1 VAL 83 -2.094 -5.095 8.040 671 HG13 VAL 83 3HG1 VAL 83 -1.500 -3.467 8.366 672 HG21 VAL 83 3HG2 VAL 83 -0.883 -5.230 5.921 673 HG22 VAL 83 2HG2 VAL 83 0.860 -4.970 5.861 674 HG23 VAL 83 1HG2 VAL 83 -0.226 -3.606 6.119 675 HA PRO 84 HA PRO 84 5.050 -5.823 8.130 676 HB2 PRO 84 HB2 PRO 84 3.860 -8.525 8.419 677 HB3 PRO 84 HB3 PRO 84 5.309 -7.849 9.172 678 HG2 PRO 84 HG2 PRO 84 3.079 -8.210 10.586 679 HG3 PRO 84 HG3 PRO 84 4.106 -6.786 10.843 680 HD2 PRO 84 HD2 PRO 84 1.514 -7.014 9.365 681 HD3 PRO 84 HD3 PRO 84 2.098 -5.713 10.423 682 H VAL 85 H VAL 85 5.969 -6.561 6.248 683 HA VAL 85 HA VAL 85 4.377 -6.424 3.929 684 HB VAL 85 HB VAL 85 6.785 -5.781 4.081 685 HG11 VAL 85 2HG1 VAL 85 8.492 -7.517 3.769 686 HG12 VAL 85 1HG1 VAL 85 7.252 -8.753 3.969 687 HG13 VAL 85 3HG1 VAL 85 7.645 -7.676 5.308 688 HG21 VAL 85 3HG2 VAL 85 7.378 -6.482 1.832 689 HG22 VAL 85 2HG2 VAL 85 5.674 -6.035 1.920 690 HG23 VAL 85 1HG2 VAL 85 6.138 -7.735 1.882 691 H SER 86 H SER 86 5.194 -9.064 5.954 692 HA SER 86 HA SER 86 4.927 -11.161 4.041 693 HB2 SER 86 HB2 SER 86 4.699 -12.550 6.194 694 HB3 SER 86 HB3 SER 86 6.207 -11.666 5.951 695 HG SER 86 HG SER 86 4.072 -11.131 7.716 696 H ALA 87 H ALA 87 2.676 -9.326 5.941 697 HA ALA 87 HA ALA 87 0.678 -11.317 6.220 698 HB1 ALA 87 HB1 ALA 87 0.359 -8.329 6.415 699 HB2 ALA 87 HB2 ALA 87 -0.754 -9.549 7.035 700 HB3 ALA 87 HB3 ALA 87 0.862 -9.397 7.726 701 HA PRO 88 HA PRO 88 -1.711 -9.029 2.694 702 HB2 PRO 88 HB2 PRO 88 0.341 -7.621 1.134 703 HB3 PRO 88 HB3 PRO 88 -1.198 -7.027 1.763 704 HG2 PRO 88 HG2 PRO 88 1.141 -6.227 2.803 705 HG3 PRO 88 HG3 PRO 88 -0.299 -6.467 3.814 706 HD2 PRO 88 HD2 PRO 88 2.050 -8.288 3.405 707 HD3 PRO 88 HD3 PRO 88 1.222 -7.842 4.914 708 H ILE 89 H ILE 89 1.029 -10.888 2.494 709 HA ILE 89 HA ILE 89 1.070 -11.467 -0.289 710 HB ILE 89 HB ILE 89 2.066 -13.072 2.071 711 HG12 ILE 89 2HG1 ILE 89 3.457 -11.256 0.087 712 HG13 ILE 89 3HG1 ILE 89 3.200 -10.933 1.797 713 HG21 ILE 89 2HG2 ILE 89 1.618 -14.544 0.181 714 HG22 ILE 89 1HG2 ILE 89 3.353 -14.382 0.457 715 HG23 ILE 89 3HG2 ILE 89 2.585 -13.507 -0.870 716 HD11 ILE 89 3HD1 ILE 89 5.483 -11.591 1.381 717 HD12 ILE 89 2HD1 ILE 89 4.938 -13.095 0.635 718 HD13 ILE 89 1HD1 ILE 89 4.666 -12.813 2.356 719 H LYS 90 H LYS 90 -0.333 -13.138 2.518 720 HA LYS 90 HA LYS 90 -1.988 -14.735 0.718 721 HB2 LYS 90 HB2 LYS 90 -1.099 -16.124 2.375 722 HB3 LYS 90 HB3 LYS 90 -1.317 -14.923 3.638 723 HG2 LYS 90 HG2 LYS 90 -2.864 -16.780 3.905 724 HG3 LYS 90 HG3 LYS 90 -3.725 -15.276 3.583 725 HD2 LYS 90 HD2 LYS 90 -3.732 -16.018 1.132 726 HD3 LYS 90 HD3 LYS 90 -3.268 -17.608 1.742 727 HE2 LYS 90 HE2 LYS 90 -5.677 -17.489 1.454 728 HE3 LYS 90 HE3 LYS 90 -5.272 -17.632 3.165 729 HZ1 LYS 90 HZ1 LYS 90 -5.665 -15.294 3.466 730 HZ2 LYS 90 HZ2 LYS 90 -7.021 -15.974 2.699 731 HZ3 LYS 90 HZ3 LYS 90 -5.909 -15.068 1.801 732 H ASP 91 H ASP 91 -2.342 -12.414 3.394 733 HA ASP 91 HA ASP 91 -5.243 -12.538 2.971 734 HB2 ASP 91 HB2 ASP 91 -3.655 -11.625 5.372 735 HB3 ASP 91 HB3 ASP 91 -5.408 -11.523 5.245 736 H ALA 92 H ALA 92 -3.710 -11.026 1.173 737 HA ALA 92 HA ALA 92 -3.604 -8.292 1.633 738 HB1 ALA 92 HB1 ALA 92 -4.411 -9.694 -0.917 739 HB2 ALA 92 HB2 ALA 92 -3.872 -8.020 -0.786 740 HB3 ALA 92 HB3 ALA 92 -2.761 -9.337 -0.408 741 H GLU 93 H GLU 93 -6.322 -10.341 0.825 742 HA GLU 93 HA GLU 93 -8.311 -8.462 0.338 743 HB2 GLU 93 HB2 GLU 93 -8.707 -11.033 1.875 744 HB3 GLU 93 HB3 GLU 93 -9.862 -10.223 0.828 745 HG2 GLU 93 HG2 GLU 93 -8.698 -10.864 -1.120 746 HG3 GLU 93 HG3 GLU 93 -7.276 -11.349 -0.196 747 H LYS 94 H LYS 94 -7.212 -9.845 3.421 748 HA LYS 94 HA LYS 94 -9.141 -8.419 4.977 749 HB2 LYS 94 HB2 LYS 94 -6.650 -9.939 5.752 750 HB3 LYS 94 HB3 LYS 94 -7.727 -9.184 6.920 751 HG2 LYS 94 HG2 LYS 94 -9.573 -10.581 6.102 752 HG3 LYS 94 HG3 LYS 94 -8.464 -11.357 4.970 753 HD2 LYS 94 HD2 LYS 94 -7.139 -12.220 6.802 754 HD3 LYS 94 HD3 LYS 94 -8.137 -11.350 7.968 755 HE2 LYS 94 HE2 LYS 94 -9.115 -13.526 6.125 756 HE3 LYS 94 HE3 LYS 94 -8.705 -13.745 7.826 757 HZ1 LYS 94 HZ1 LYS 94 -10.827 -11.935 6.794 758 HZ2 LYS 94 HZ2 LYS 94 -10.453 -12.205 8.425 759 HZ3 LYS 94 HZ3 LYS 94 -11.093 -13.459 7.485 760 H VAL 95 H VAL 95 -5.841 -7.856 3.962 761 HA VAL 95 HA VAL 95 -5.345 -5.651 5.688 762 HB VAL 95 HB VAL 95 -4.059 -6.310 3.026 763 HG11 VAL 95 2HG1 VAL 95 -3.179 -4.474 5.248 764 HG12 VAL 95 1HG1 VAL 95 -3.640 -4.009 3.610 765 HG13 VAL 95 3HG1 VAL 95 -2.175 -4.952 3.881 766 HG21 VAL 95 3HG2 VAL 95 -2.278 -7.315 4.389 767 HG22 VAL 95 2HG2 VAL 95 -3.827 -8.132 4.614 768 HG23 VAL 95 1HG2 VAL 95 -3.234 -7.011 5.840 769 H ILE 96 H ILE 96 -6.555 -5.953 2.380 770 HA ILE 96 HA ILE 96 -6.729 -3.218 1.769 771 HB ILE 96 HB ILE 96 -8.293 -5.596 0.746 772 HG12 ILE 96 2HG1 ILE 96 -6.121 -3.912 -0.530 773 HG13 ILE 96 3HG1 ILE 96 -5.867 -5.479 0.232 774 HG21 ILE 96 2HG2 ILE 96 -9.066 -4.148 -1.088 775 HG22 ILE 96 1HG2 ILE 96 -8.356 -2.753 -0.274 776 HG23 ILE 96 3HG2 ILE 96 -9.692 -3.626 0.477 777 HD11 ILE 96 3HD1 ILE 96 -7.591 -4.964 -2.178 778 HD12 ILE 96 2HD1 ILE 96 -7.292 -6.533 -1.431 779 HD13 ILE 96 1HD1 ILE 96 -5.970 -5.652 -2.195 780 H ASN 97 H ASN 97 -9.125 -5.454 3.121 781 HA ASN 97 HA ASN 97 -11.141 -3.467 3.404 782 HB2 ASN 97 HB2 ASN 97 -10.819 -6.260 4.456 783 HB3 ASN 97 HB3 ASN 97 -12.159 -5.241 4.980 784 HD21 ASN 97 1HD2 ASN 97 -10.793 -7.072 2.382 785 HD22 ASN 97 2HD2 ASN 97 -12.156 -6.959 1.320 786 H ALA 98 H ALA 98 -8.423 -4.381 5.307 787 HA ALA 98 HA ALA 98 -9.325 -3.429 7.821 788 HB1 ALA 98 HB1 ALA 98 -6.983 -3.441 8.473 789 HB2 ALA 98 HB2 ALA 98 -7.374 -4.909 7.577 790 HB3 ALA 98 HB3 ALA 98 -6.495 -3.599 6.785 791 H ALA 99 H ALA 99 -7.619 -1.940 5.114 792 HA ALA 99 HA ALA 99 -7.213 0.588 6.320 793 HB1 ALA 99 HB1 ALA 99 -6.749 1.366 4.059 794 HB2 ALA 99 HB2 ALA 99 -5.963 -0.185 4.355 795 HB3 ALA 99 HB3 ALA 99 -7.439 -0.116 3.393 796 H LEU 100 H LEU 100 -9.724 -0.699 4.178 797 HA LEU 100 HA LEU 100 -11.273 1.626 3.997 798 HB2 LEU 100 HB2 LEU 100 -11.767 -1.281 3.582 799 HB3 LEU 100 HB3 LEU 100 -13.150 -0.206 3.666 800 HG LEU 100 HG LEU 100 -12.452 -0.625 1.361 801 HD11 LEU 100 2HD1 LEU 100 -12.359 1.710 0.632 802 HD12 LEU 100 1HD1 LEU 100 -11.973 2.204 2.280 803 HD13 LEU 100 3HD1 LEU 100 -13.541 1.480 1.922 804 HD21 LEU 100 3HD2 LEU 100 -9.892 0.766 2.121 805 HD22 LEU 100 2HD2 LEU 100 -10.361 0.265 0.495 806 HD23 LEU 100 1HD2 LEU 100 -10.056 -0.948 1.740 807 H ALA 101 H ALA 101 -11.181 -0.917 6.416 808 HA ALA 101 HA ALA 101 -13.607 -0.313 7.707 809 HB1 ALA 101 HB1 ALA 101 -11.121 -1.546 8.889 810 HB2 ALA 101 HB2 ALA 101 -12.746 -1.616 9.571 811 HB3 ALA 101 HB3 ALA 101 -12.399 -2.415 8.038 812 H LEU 102 H LEU 102 -10.627 1.379 7.679 813 HA LEU 102 HA LEU 102 -11.012 2.660 10.233 814 HB2 LEU 102 HB2 LEU 102 -9.133 3.340 7.972 815 HB3 LEU 102 HB3 LEU 102 -9.099 4.061 9.569 816 HG LEU 102 HG LEU 102 -8.502 1.187 8.877 817 HD11 LEU 102 2HD1 LEU 102 -6.704 2.704 8.318 818 HD12 LEU 102 1HD1 LEU 102 -6.267 1.757 9.740 819 HD13 LEU 102 3HD1 LEU 102 -6.786 3.432 9.921 820 HD21 LEU 102 3HD2 LEU 102 -8.030 0.872 11.240 821 HD22 LEU 102 2HD2 LEU 102 -9.709 1.358 11.006 822 HD23 LEU 102 1HD2 LEU 102 -8.522 2.532 11.576 823 H ILE 103 H ILE 103 -11.454 3.526 6.830 824 HA ILE 103 HA ILE 103 -12.433 6.160 7.664 825 HB ILE 103 HB ILE 103 -12.214 6.769 5.261 826 HG12 ILE 103 2HG1 ILE 103 -10.810 4.091 5.041 827 HG13 ILE 103 3HG1 ILE 103 -12.389 4.457 4.354 828 HG21 ILE 103 2HG2 ILE 103 -9.767 6.913 5.323 829 HG22 ILE 103 1HG2 ILE 103 -9.741 5.742 6.639 830 HG23 ILE 103 3HG2 ILE 103 -10.496 7.317 6.877 831 HD11 ILE 103 3HD1 ILE 103 -11.383 6.137 2.913 832 HD12 ILE 103 2HD1 ILE 103 -10.630 4.558 2.678 833 HD13 ILE 103 1HD1 ILE 103 -9.800 5.801 3.616 834 H ASP 104 H ASP 104 -13.420 3.301 5.880 835 HA ASP 104 HA ASP 104 -16.019 4.560 5.327 836 HB2 ASP 104 HB2 ASP 104 -14.535 3.516 3.466 837 HB3 ASP 104 HB3 ASP 104 -15.069 1.970 4.119 838 H GLU 105 H GLU 105 -14.400 2.144 7.117 839 HA GLU 105 HA GLU 105 -15.026 0.615 8.656 840 HB2 GLU 105 HB2 GLU 105 -17.490 2.362 8.790 841 HB3 GLU 105 HB3 GLU 105 -17.112 1.087 9.941 842 HG2 GLU 105 HG2 GLU 105 -15.021 2.255 10.515 843 HG3 GLU 105 HG3 GLU 105 -15.469 3.552 9.410 844 H LYS 106 H LYS 106 -15.058 -0.850 6.779 845 HA LYS 106 HA LYS 106 -17.686 -2.130 6.558 846 HB2 LYS 106 HB2 LYS 106 -15.722 -1.674 4.301 847 HB3 LYS 106 HB3 LYS 106 -17.144 -2.704 4.194 848 HG2 LYS 106 HG2 LYS 106 -17.226 0.238 4.814 849 HG3 LYS 106 HG3 LYS 106 -17.453 -0.455 3.206 850 HD2 LYS 106 HD2 LYS 106 -19.450 -1.534 3.845 851 HD3 LYS 106 HD3 LYS 106 -19.126 -1.285 5.562 852 HE2 LYS 106 HE2 LYS 106 -20.876 0.220 4.649 853 HE3 LYS 106 HE3 LYS 106 -19.503 1.073 5.354 854 HZ1 LYS 106 HZ1 LYS 106 -19.865 0.574 2.448 855 HZ2 LYS 106 HZ2 LYS 106 -18.635 1.492 3.170 856 HZ3 LYS 106 HZ3 LYS 106 -20.242 2.026 3.234 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -16.223 -2.230 -6.935 2 H2 MET 1 H2 MET 1 -16.780 -1.108 -8.075 3 H3 MET 1 H3 MET 1 -17.692 -1.417 -6.682 4 HA MET 1 HA MET 1 -16.577 0.670 -6.453 5 HB2 MET 1 HB2 MET 1 -15.398 -1.546 -4.769 6 HB3 MET 1 HB3 MET 1 -15.147 0.159 -4.431 7 HG2 MET 1 HG2 MET 1 -16.867 -0.572 -3.001 8 HG3 MET 1 HG3 MET 1 -17.635 0.394 -4.257 9 HE1 MET 1 HE1 MET 1 -19.195 -1.577 -2.273 10 HE2 MET 1 HE2 MET 1 -19.991 -0.596 -3.503 11 HE3 MET 1 HE3 MET 1 -20.332 -2.323 -3.396 12 H LYS 2 H LYS 2 -15.247 1.697 -7.794 13 HA LYS 2 HA LYS 2 -12.594 0.590 -8.345 14 HB2 LYS 2 HB2 LYS 2 -14.133 2.912 -9.501 15 HB3 LYS 2 HB3 LYS 2 -12.431 2.648 -9.857 16 HG2 LYS 2 HG2 LYS 2 -14.605 0.632 -10.377 17 HG3 LYS 2 HG3 LYS 2 -13.973 1.759 -11.581 18 HD2 LYS 2 HD2 LYS 2 -11.806 0.775 -11.479 19 HD3 LYS 2 HD3 LYS 2 -12.241 -0.177 -10.060 20 HE2 LYS 2 HE2 LYS 2 -13.424 -0.485 -12.815 21 HE3 LYS 2 HE3 LYS 2 -12.206 -1.539 -12.094 22 HZ1 LYS 2 HZ1 LYS 2 -15.036 -1.195 -11.293 23 HZ2 LYS 2 HZ2 LYS 2 -13.890 -1.888 -10.256 24 HZ3 LYS 2 HZ3 LYS 2 -14.231 -2.623 -11.743 25 H ARG 3 H ARG 3 -12.370 0.946 -5.904 26 HA ARG 3 HA ARG 3 -12.026 3.638 -4.989 27 HB2 ARG 3 HB2 ARG 3 -12.547 1.339 -3.708 28 HB3 ARG 3 HB3 ARG 3 -10.802 1.362 -3.514 29 HG2 ARG 3 HG2 ARG 3 -11.655 2.374 -1.586 30 HG3 ARG 3 HG3 ARG 3 -11.084 3.710 -2.590 31 HD2 ARG 3 HD2 ARG 3 -13.386 4.048 -3.399 32 HD3 ARG 3 HD3 ARG 3 -13.936 2.757 -2.335 33 HE ARG 3 HE ARG 3 -12.966 5.408 -1.506 34 HH11 ARG 3 2HH1 ARG 3 -14.432 2.333 -0.685 35 HH12 ARG 3 1HH1 ARG 3 -15.026 2.880 0.851 36 HH21 ARG 3 2HH2 ARG 3 -13.733 6.129 0.526 37 HH22 ARG 3 1HH2 ARG 3 -14.604 5.019 1.557 38 H LYS 4 H LYS 4 -10.261 4.853 -5.090 39 HA LYS 4 HA LYS 4 -7.853 3.861 -6.316 40 HB2 LYS 4 HB2 LYS 4 -8.156 6.518 -4.930 41 HB3 LYS 4 HB3 LYS 4 -7.057 6.094 -6.234 42 HG2 LYS 4 HG2 LYS 4 -10.040 6.418 -6.418 43 HG3 LYS 4 HG3 LYS 4 -8.811 7.489 -7.089 44 HD2 LYS 4 HD2 LYS 4 -8.079 5.730 -8.601 45 HD3 LYS 4 HD3 LYS 4 -9.245 4.611 -7.890 46 HE2 LYS 4 HE2 LYS 4 -9.868 7.145 -9.400 47 HE3 LYS 4 HE3 LYS 4 -10.101 5.496 -9.976 48 HZ1 LYS 4 HZ1 LYS 4 -12.184 6.366 -9.222 49 HZ2 LYS 4 HZ2 LYS 4 -11.526 6.807 -7.727 50 HZ3 LYS 4 HZ3 LYS 4 -11.688 5.168 -8.128 51 H ILE 5 H ILE 5 -6.175 2.958 -5.285 52 HA ILE 5 HA ILE 5 -5.870 3.533 -2.411 53 HB ILE 5 HB ILE 5 -5.566 0.799 -3.673 54 HG12 ILE 5 2HG1 ILE 5 -7.644 1.807 -1.710 55 HG13 ILE 5 3HG1 ILE 5 -7.931 1.516 -3.423 56 HG21 ILE 5 2HG2 ILE 5 -3.978 1.185 -1.863 57 HG22 ILE 5 1HG2 ILE 5 -5.201 0.007 -1.388 58 HG23 ILE 5 3HG2 ILE 5 -5.297 1.665 -0.795 59 HD11 ILE 5 3HD1 ILE 5 -7.192 -0.551 -1.361 60 HD12 ILE 5 2HD1 ILE 5 -7.420 -0.860 -3.084 61 HD13 ILE 5 1HD1 ILE 5 -8.777 -0.313 -2.097 62 H ILE 6 H ILE 6 -3.845 4.072 -1.824 63 HA ILE 6 HA ILE 6 -1.668 3.331 -3.657 64 HB ILE 6 HB ILE 6 -0.319 5.145 -2.663 65 HG12 ILE 6 2HG1 ILE 6 -1.732 5.257 -0.520 66 HG13 ILE 6 3HG1 ILE 6 -1.156 6.775 -1.192 67 HG21 ILE 6 2HG2 ILE 6 -2.914 6.027 -3.908 68 HG22 ILE 6 1HG2 ILE 6 -1.457 5.511 -4.759 69 HG23 ILE 6 3HG2 ILE 6 -1.444 6.998 -3.810 70 HD11 ILE 6 3HD1 ILE 6 -3.935 5.646 -1.467 71 HD12 ILE 6 2HD1 ILE 6 -3.368 7.160 -2.175 72 HD13 ILE 6 1HD1 ILE 6 -3.436 6.977 -0.422 73 H ALA 7 H ALA 7 -0.111 2.037 -2.931 74 HA ALA 7 HA ALA 7 -0.024 1.453 -0.054 75 HB1 ALA 7 HB1 ALA 7 0.020 -0.946 -0.509 76 HB2 ALA 7 HB2 ALA 7 -1.475 -0.216 -1.096 77 HB3 ALA 7 HB3 ALA 7 -0.190 -0.628 -2.231 78 H VAL 8 H VAL 8 1.973 0.989 0.739 79 HA VAL 8 HA VAL 8 4.186 0.941 -1.211 80 HB VAL 8 HB VAL 8 4.244 2.079 1.594 81 HG11 VAL 8 2HG1 VAL 8 6.487 2.858 1.016 82 HG12 VAL 8 1HG1 VAL 8 6.365 2.058 -0.551 83 HG13 VAL 8 3HG1 VAL 8 6.382 1.099 0.930 84 HG21 VAL 8 3HG2 VAL 8 4.537 4.251 0.478 85 HG22 VAL 8 2HG2 VAL 8 2.981 3.512 0.100 86 HG23 VAL 8 1HG2 VAL 8 4.289 3.467 -1.083 87 H THR 9 H THR 9 5.464 -0.786 -1.156 88 HA THR 9 HA THR 9 5.302 -2.567 1.189 89 HB THR 9 HB THR 9 6.049 -4.358 -0.495 90 HG1 THR 9 HG1 THR 9 6.333 -2.476 -2.121 91 HG21 THR 9 3HG2 THR 9 3.816 -4.307 0.473 92 HG22 THR 9 1HG2 THR 9 3.736 -4.762 -1.229 93 HG23 THR 9 2HG2 THR 9 3.303 -3.126 -0.732 94 H ALA 10 H ALA 10 7.119 -2.660 2.343 95 HA ALA 10 HA ALA 10 9.689 -2.304 0.953 96 HB1 ALA 10 HB1 ALA 10 8.913 -0.924 3.520 97 HB2 ALA 10 HB2 ALA 10 10.506 -0.875 2.765 98 HB3 ALA 10 HB3 ALA 10 9.120 -0.158 1.946 99 H CYS 11 H CYS 11 10.999 -3.936 1.346 100 HA CYS 11 HA CYS 11 11.002 -5.137 4.029 101 HB2 CYS 11 HB2 CYS 11 9.860 -6.673 2.491 102 HB3 CYS 11 HB3 CYS 11 11.250 -6.640 1.411 103 HG CYS 11 HG CYS 11 12.799 -7.588 3.856 104 H ALA 12 H ALA 12 12.692 -3.605 1.593 105 HA ALA 12 HA ALA 12 14.853 -3.088 1.177 106 HB1 ALA 12 HB1 ALA 12 15.241 -3.833 4.072 107 HB2 ALA 12 HB2 ALA 12 16.346 -2.874 3.089 108 HB3 ALA 12 HB3 ALA 12 14.737 -2.257 3.465 109 H THR 13 H THR 13 15.848 -5.456 3.548 110 HA THR 13 HA THR 13 17.371 -6.860 1.517 111 HB THR 13 HB THR 13 18.224 -8.142 3.554 112 HG1 THR 13 HG1 THR 13 16.351 -7.397 4.861 113 HG21 THR 13 3HG2 THR 13 18.631 -5.150 3.431 114 HG22 THR 13 1HG2 THR 13 19.520 -6.364 2.509 115 HG23 THR 13 2HG2 THR 13 19.688 -6.292 4.262 116 H GLY 14 H GLY 14 15.959 -8.085 0.377 117 HA2 GLY 14 HA1 GLY 14 15.182 -10.527 0.754 118 HA3 GLY 14 HA2 GLY 14 14.050 -9.752 1.855 119 H VAL 15 H VAL 15 15.216 -9.542 -1.489 120 HA VAL 15 HA VAL 15 13.091 -8.065 -2.520 121 HB VAL 15 HB VAL 15 13.761 -8.998 -4.728 122 HG11 VAL 15 2HG1 VAL 15 15.990 -8.039 -2.941 123 HG12 VAL 15 1HG1 VAL 15 14.865 -7.030 -3.852 124 HG13 VAL 15 3HG1 VAL 15 16.032 -8.043 -4.704 125 HG21 VAL 15 3HG2 VAL 15 15.673 -10.491 -4.875 126 HG22 VAL 15 2HG2 VAL 15 14.373 -11.254 -3.959 127 HG23 VAL 15 1HG2 VAL 15 15.766 -10.574 -3.116 128 H ALA 16 H ALA 16 13.358 -11.491 -1.846 129 HA ALA 16 HA ALA 16 11.183 -12.403 -3.378 130 HB1 ALA 16 HB1 ALA 16 11.168 -14.346 -1.911 131 HB2 ALA 16 HB2 ALA 16 12.818 -13.902 -2.349 132 HB3 ALA 16 HB3 ALA 16 12.190 -13.492 -0.753 133 H HIS 17 H HIS 17 11.343 -10.930 -0.194 134 HA HIS 17 HA HIS 17 8.501 -11.290 0.264 135 HB2 HIS 17 HB2 HIS 17 10.766 -10.161 1.835 136 HB3 HIS 17 HB3 HIS 17 9.150 -9.571 2.198 137 HD1 HIS 17 HD1 HIS 17 7.481 -11.225 3.257 138 HD2 HIS 17 HD2 HIS 17 11.282 -12.795 2.633 139 HE1 HIS 17 HE1 HIS 17 7.567 -13.346 4.606 140 HE2 HIS 17 HE2 HIS 17 9.948 -14.149 4.391 141 H THR 18 H THR 18 10.671 -8.843 -0.911 142 HA THR 18 HA THR 18 8.904 -6.635 -0.613 143 HB THR 18 HB THR 18 11.227 -6.882 -2.537 144 HG1 THR 18 HG1 THR 18 11.894 -7.331 -0.380 145 HG21 THR 18 3HG2 THR 18 11.344 -4.446 -2.310 146 HG22 THR 18 1HG2 THR 18 9.943 -4.473 -1.239 147 HG23 THR 18 2HG2 THR 18 9.769 -4.947 -2.931 148 H TYR 19 H TYR 19 9.923 -8.486 -3.499 149 HA TYR 19 HA TYR 19 8.150 -7.119 -5.239 150 HB2 TYR 19 HB2 TYR 19 9.711 -9.677 -5.523 151 HB3 TYR 19 HB3 TYR 19 8.663 -9.076 -6.801 152 HD1 TYR 19 HD1 TYR 19 11.685 -8.302 -4.805 153 HD2 TYR 19 HD2 TYR 19 9.370 -7.331 -8.240 154 HE1 TYR 19 HE1 TYR 19 13.526 -6.910 -5.646 155 HE2 TYR 19 HE2 TYR 19 11.206 -5.930 -9.088 156 HH TYR 19 HH TYR 19 13.165 -4.750 -8.285 157 H MET 20 H MET 20 7.903 -10.180 -3.480 158 HA MET 20 HA MET 20 5.563 -11.069 -4.775 159 HB2 MET 20 HB2 MET 20 6.940 -12.617 -3.507 160 HB3 MET 20 HB3 MET 20 6.588 -11.745 -2.020 161 HG2 MET 20 HG2 MET 20 4.290 -12.388 -2.095 162 HG3 MET 20 HG3 MET 20 4.484 -13.066 -3.711 163 HE1 MET 20 HE1 MET 20 7.201 -13.460 -0.937 164 HE2 MET 20 HE2 MET 20 5.736 -13.432 0.044 165 HE3 MET 20 HE3 MET 20 6.676 -14.918 -0.091 166 H ALA 21 H ALA 21 6.039 -9.173 -1.811 167 HA ALA 21 HA ALA 21 3.315 -9.108 -1.070 168 HB1 ALA 21 HB1 ALA 21 3.923 -7.247 0.372 169 HB2 ALA 21 HB2 ALA 21 5.132 -8.526 0.471 170 HB3 ALA 21 HB3 ALA 21 5.460 -7.074 -0.475 171 H ALA 22 H ALA 22 5.290 -7.015 -3.104 172 HA ALA 22 HA ALA 22 3.417 -4.960 -3.486 173 HB1 ALA 22 HB1 ALA 22 4.777 -4.318 -5.409 174 HB2 ALA 22 HB2 ALA 22 5.788 -4.714 -4.018 175 HB3 ALA 22 HB3 ALA 22 5.616 -5.868 -5.341 176 H GLN 23 H GLN 23 4.035 -7.926 -5.358 177 HA GLN 23 HA GLN 23 1.952 -7.268 -7.244 178 HB2 GLN 23 HB2 GLN 23 2.430 -9.439 -8.264 179 HB3 GLN 23 HB3 GLN 23 3.902 -8.515 -8.010 180 HG2 GLN 23 HG2 GLN 23 4.347 -9.849 -5.986 181 HG3 GLN 23 HG3 GLN 23 2.915 -10.814 -6.341 182 HE21 GLN 23 1HE2 GLN 23 5.720 -11.589 -6.156 183 HE22 GLN 23 2HE2 GLN 23 6.123 -12.324 -7.668 184 H ALA 24 H ALA 24 2.233 -9.238 -4.345 185 HA ALA 24 HA ALA 24 -0.169 -10.699 -4.663 186 HB1 ALA 24 HB1 ALA 24 1.154 -9.870 -2.081 187 HB2 ALA 24 HB2 ALA 24 -0.020 -11.170 -2.293 188 HB3 ALA 24 HB3 ALA 24 1.578 -11.297 -3.028 189 H LEU 25 H LEU 25 0.577 -7.608 -3.132 190 HA LEU 25 HA LEU 25 -1.980 -6.896 -2.269 191 HB2 LEU 25 HB2 LEU 25 0.509 -5.520 -2.894 192 HB3 LEU 25 HB3 LEU 25 -0.899 -4.539 -3.250 193 HG LEU 25 HG LEU 25 -0.422 -5.850 -0.580 194 HD11 LEU 25 2HD1 LEU 25 1.356 -4.239 -1.076 195 HD12 LEU 25 1HD1 LEU 25 0.290 -3.659 0.205 196 HD13 LEU 25 3HD1 LEU 25 0.139 -3.013 -1.429 197 HD21 LEU 25 3HD2 LEU 25 -2.117 -4.254 0.180 198 HD22 LEU 25 2HD2 LEU 25 -2.751 -5.331 -1.064 199 HD23 LEU 25 1HD2 LEU 25 -2.307 -3.674 -1.475 200 H LYS 26 H LYS 26 -0.473 -6.512 -5.444 201 HA LYS 26 HA LYS 26 -2.569 -5.164 -6.725 202 HB2 LYS 26 HB2 LYS 26 -0.530 -7.085 -7.866 203 HB3 LYS 26 HB3 LYS 26 -1.565 -6.044 -8.830 204 HG2 LYS 26 HG2 LYS 26 -0.539 -4.077 -7.754 205 HG3 LYS 26 HG3 LYS 26 0.545 -5.158 -6.876 206 HD2 LYS 26 HD2 LYS 26 1.438 -5.986 -8.999 207 HD3 LYS 26 HD3 LYS 26 0.352 -4.907 -9.878 208 HE2 LYS 26 HE2 LYS 26 2.486 -3.857 -9.814 209 HE3 LYS 26 HE3 LYS 26 1.445 -2.991 -8.686 210 HZ1 LYS 26 HZ1 LYS 26 3.571 -4.959 -8.034 211 HZ2 LYS 26 HZ2 LYS 26 2.456 -4.382 -6.896 212 HZ3 LYS 26 HZ3 LYS 26 3.535 -3.308 -7.643 213 H LYS 27 H LYS 27 -1.929 -8.605 -6.264 214 HA LYS 27 HA LYS 27 -3.917 -9.707 -7.863 215 HB2 LYS 27 HB2 LYS 27 -2.972 -10.717 -5.185 216 HB3 LYS 27 HB3 LYS 27 -3.810 -11.666 -6.396 217 HG2 LYS 27 HG2 LYS 27 -1.101 -10.407 -6.760 218 HG3 LYS 27 HG3 LYS 27 -1.384 -12.090 -6.322 219 HD2 LYS 27 HD2 LYS 27 -2.560 -12.448 -8.430 220 HD3 LYS 27 HD3 LYS 27 -2.308 -10.753 -8.863 221 HE2 LYS 27 HE2 LYS 27 0.099 -11.078 -8.845 222 HE3 LYS 27 HE3 LYS 27 -0.110 -12.749 -8.324 223 HZ1 LYS 27 HZ1 LYS 27 0.331 -12.557 -10.706 224 HZ2 LYS 27 HZ2 LYS 27 -1.082 -11.637 -10.901 225 HZ3 LYS 27 HZ3 LYS 27 -1.185 -13.253 -10.403 226 H GLY 28 H GLY 28 -4.092 -8.981 -4.390 227 HA2 GLY 28 HA1 GLY 28 -6.824 -9.586 -4.079 228 HA3 GLY 28 HA2 GLY 28 -5.874 -8.575 -3.001 229 H ALA 29 H ALA 29 -5.201 -6.583 -4.946 230 HA ALA 29 HA ALA 29 -7.431 -4.881 -4.612 231 HB1 ALA 29 HB1 ALA 29 -6.168 -3.262 -5.911 232 HB2 ALA 29 HB2 ALA 29 -5.125 -4.062 -4.735 233 HB3 ALA 29 HB3 ALA 29 -5.056 -4.526 -6.434 234 H LYS 30 H LYS 30 -6.089 -6.436 -7.530 235 HA LYS 30 HA LYS 30 -8.134 -5.448 -9.245 236 HB2 LYS 30 HB2 LYS 30 -7.252 -7.015 -10.901 237 HB3 LYS 30 HB3 LYS 30 -5.952 -6.132 -10.114 238 HG2 LYS 30 HG2 LYS 30 -5.561 -8.089 -8.656 239 HG3 LYS 30 HG3 LYS 30 -6.796 -8.968 -9.559 240 HD2 LYS 30 HD2 LYS 30 -4.553 -9.520 -10.342 241 HD3 LYS 30 HD3 LYS 30 -5.491 -8.719 -11.604 242 HE2 LYS 30 HE2 LYS 30 -4.382 -6.576 -10.954 243 HE3 LYS 30 HE3 LYS 30 -3.358 -7.498 -9.857 244 HZ1 LYS 30 HZ1 LYS 30 -2.232 -7.108 -11.929 245 HZ2 LYS 30 HZ2 LYS 30 -3.500 -7.813 -12.807 246 HZ3 LYS 30 HZ3 LYS 30 -2.552 -8.765 -11.771 247 H LYS 31 H LYS 31 -7.854 -8.209 -7.166 248 HA LYS 31 HA LYS 31 -9.917 -9.800 -8.239 249 HB2 LYS 31 HB2 LYS 31 -8.293 -10.630 -6.585 250 HB3 LYS 31 HB3 LYS 31 -8.974 -9.553 -5.372 251 HG2 LYS 31 HG2 LYS 31 -11.083 -10.753 -5.462 252 HG3 LYS 31 HG3 LYS 31 -10.443 -11.811 -6.722 253 HD2 LYS 31 HD2 LYS 31 -8.751 -12.642 -5.193 254 HD3 LYS 31 HD3 LYS 31 -9.321 -11.542 -3.936 255 HE2 LYS 31 HE2 LYS 31 -11.496 -12.671 -3.951 256 HE3 LYS 31 HE3 LYS 31 -10.906 -13.779 -5.191 257 HZ1 LYS 31 HZ1 LYS 31 -10.805 -14.711 -2.934 258 HZ2 LYS 31 HZ2 LYS 31 -9.716 -13.489 -2.483 259 HZ3 LYS 31 HZ3 LYS 31 -9.280 -14.623 -3.664 260 H MET 32 H MET 32 -9.906 -7.254 -5.782 261 HA MET 32 HA MET 32 -12.777 -7.358 -5.480 262 HB2 MET 32 HB2 MET 32 -10.747 -5.369 -4.444 263 HB3 MET 32 HB3 MET 32 -12.450 -5.391 -4.009 264 HG2 MET 32 HG2 MET 32 -12.167 -7.614 -3.028 265 HG3 MET 32 HG3 MET 32 -10.454 -7.573 -3.449 266 HE1 MET 32 HE1 MET 32 -12.419 -4.687 -0.427 267 HE2 MET 32 HE2 MET 32 -12.708 -4.629 -2.167 268 HE3 MET 32 HE3 MET 32 -13.290 -5.999 -1.221 269 H GLY 33 H GLY 33 -10.567 -5.898 -7.602 270 HA2 GLY 33 HA1 GLY 33 -11.129 -4.871 -9.612 271 HA3 GLY 33 HA2 GLY 33 -12.772 -4.674 -9.026 272 H ASN 34 H ASN 34 -9.845 -3.606 -7.380 273 HA ASN 34 HA ASN 34 -10.862 -0.852 -7.578 274 HB2 ASN 34 HB2 ASN 34 -8.908 -2.051 -5.600 275 HB3 ASN 34 HB3 ASN 34 -9.416 -0.367 -5.626 276 HD21 ASN 34 1HD2 ASN 34 -10.236 -3.581 -4.760 277 HD22 ASN 34 2HD2 ASN 34 -11.711 -3.213 -3.939 278 H LEU 35 H LEU 35 -8.995 0.821 -7.406 279 HA LEU 35 HA LEU 35 -6.951 0.062 -9.392 280 HB2 LEU 35 HB2 LEU 35 -8.158 2.773 -8.831 281 HB3 LEU 35 HB3 LEU 35 -6.870 2.467 -9.979 282 HG LEU 35 HG LEU 35 -9.674 1.365 -10.169 283 HD11 LEU 35 2HD1 LEU 35 -9.584 3.767 -10.561 284 HD12 LEU 35 1HD1 LEU 35 -9.924 2.889 -12.051 285 HD13 LEU 35 3HD1 LEU 35 -8.308 3.533 -11.754 286 HD21 LEU 35 3HD2 LEU 35 -7.357 1.191 -12.092 287 HD22 LEU 35 2HD2 LEU 35 -8.999 0.624 -12.397 288 HD23 LEU 35 1HD2 LEU 35 -8.022 -0.139 -11.143 289 H ILE 36 H ILE 36 -5.021 -0.213 -8.480 290 HA ILE 36 HA ILE 36 -4.408 1.376 -6.072 291 HB ILE 36 HB ILE 36 -4.954 -1.006 -5.581 292 HG12 ILE 36 2HG1 ILE 36 -2.080 -0.236 -5.028 293 HG13 ILE 36 3HG1 ILE 36 -3.475 0.324 -4.111 294 HG21 ILE 36 2HG2 ILE 36 -2.444 -1.565 -7.158 295 HG22 ILE 36 1HG2 ILE 36 -4.087 -2.016 -7.614 296 HG23 ILE 36 3HG2 ILE 36 -3.334 -2.745 -6.195 297 HD11 ILE 36 3HD1 ILE 36 -2.521 -2.521 -4.338 298 HD12 ILE 36 2HD1 ILE 36 -3.943 -1.983 -3.442 299 HD13 ILE 36 1HD1 ILE 36 -2.336 -1.458 -2.943 300 H LYS 37 H LYS 37 -2.394 2.182 -5.826 301 HA LYS 37 HA LYS 37 -0.385 1.542 -7.891 302 HB2 LYS 37 HB2 LYS 37 -0.831 4.082 -6.327 303 HB3 LYS 37 HB3 LYS 37 0.679 3.740 -7.160 304 HG2 LYS 37 HG2 LYS 37 -1.188 3.298 -9.118 305 HG3 LYS 37 HG3 LYS 37 -1.875 4.652 -8.214 306 HD2 LYS 37 HD2 LYS 37 0.254 5.855 -8.425 307 HD3 LYS 37 HD3 LYS 37 0.909 4.506 -9.357 308 HE2 LYS 37 HE2 LYS 37 -0.813 4.865 -11.066 309 HE3 LYS 37 HE3 LYS 37 -1.455 6.216 -10.132 310 HZ1 LYS 37 HZ1 LYS 37 1.299 6.090 -11.245 311 HZ2 LYS 37 HZ2 LYS 37 0.590 7.409 -10.440 312 HZ3 LYS 37 HZ3 LYS 37 0.002 6.924 -11.954 313 H VAL 38 H VAL 38 1.069 0.169 -7.099 314 HA VAL 38 HA VAL 38 1.608 0.192 -4.215 315 HB VAL 38 HB VAL 38 2.326 -1.954 -6.221 316 HG11 VAL 38 2HG1 VAL 38 2.327 -1.973 -3.205 317 HG12 VAL 38 1HG1 VAL 38 3.753 -1.930 -4.241 318 HG13 VAL 38 3HG1 VAL 38 2.701 -3.345 -4.247 319 HG21 VAL 38 3HG2 VAL 38 -0.094 -1.743 -6.038 320 HG22 VAL 38 2HG2 VAL 38 0.019 -1.842 -4.281 321 HG23 VAL 38 1HG2 VAL 38 0.463 -3.231 -5.273 322 H GLU 39 H GLU 39 3.445 0.996 -3.497 323 HA GLU 39 HA GLU 39 5.556 1.647 -5.409 324 HB2 GLU 39 HB2 GLU 39 4.627 3.360 -3.825 325 HB3 GLU 39 HB3 GLU 39 5.316 2.433 -2.502 326 HG2 GLU 39 HG2 GLU 39 7.549 2.784 -3.388 327 HG3 GLU 39 HG3 GLU 39 6.874 3.667 -4.758 328 H THR 40 H THR 40 7.297 0.394 -5.589 329 HA THR 40 HA THR 40 7.860 -1.633 -3.594 330 HB THR 40 HB THR 40 9.433 -0.999 -6.097 331 HG1 THR 40 HG1 THR 40 7.920 -1.981 -7.214 332 HG21 THR 40 3HG2 THR 40 9.193 -3.530 -4.460 333 HG22 THR 40 1HG2 THR 40 10.579 -2.439 -4.474 334 HG23 THR 40 2HG2 THR 40 10.148 -3.335 -5.931 335 H GLN 41 H GLN 41 8.874 -0.953 -1.826 336 HA GLN 41 HA GLN 41 11.015 1.059 -2.103 337 HB2 GLN 41 HB2 GLN 41 9.111 1.870 -0.816 338 HB3 GLN 41 HB3 GLN 41 9.169 0.453 0.220 339 HG2 GLN 41 HG2 GLN 41 10.092 2.362 1.359 340 HG3 GLN 41 HG3 GLN 41 11.353 1.168 1.063 341 HE21 GLN 41 1HE2 GLN 41 12.941 2.759 1.296 342 HE22 GLN 41 2HE2 GLN 41 13.250 3.912 0.044 343 H GLY 42 H GLY 42 13.015 0.448 -1.582 344 HA2 GLY 42 HA1 GLY 42 13.445 -2.126 -0.283 345 HA3 GLY 42 HA2 GLY 42 14.689 -1.061 -0.936 346 H ALA 43 H ALA 43 15.591 0.487 0.327 347 HA ALA 43 HA ALA 43 14.554 0.771 3.072 348 HB1 ALA 43 HB1 ALA 43 17.451 0.783 2.211 349 HB2 ALA 43 HB2 ALA 43 16.864 1.084 3.848 350 HB3 ALA 43 HB3 ALA 43 16.643 -0.503 3.109 351 H THR 44 H THR 44 16.783 2.272 0.756 352 HA THR 44 HA THR 44 15.438 4.843 1.253 353 HB THR 44 HB THR 44 18.392 4.571 0.655 354 HG1 THR 44 HG1 THR 44 18.765 4.518 2.806 355 HG21 THR 44 3HG2 THR 44 16.738 6.834 1.800 356 HG22 THR 44 1HG2 THR 44 17.398 6.762 0.166 357 HG23 THR 44 2HG2 THR 44 18.484 6.861 1.552 358 H GLY 45 H GLY 45 15.725 2.473 -0.852 359 HA2 GLY 45 HA1 GLY 45 15.928 4.231 -3.216 360 HA3 GLY 45 HA2 GLY 45 16.341 2.520 -3.222 361 H ILE 46 H ILE 46 14.256 4.343 -4.595 362 HA ILE 46 HA ILE 46 11.864 2.774 -3.872 363 HB ILE 46 HB ILE 46 11.732 5.451 -5.235 364 HG12 ILE 46 2HG1 ILE 46 11.757 5.016 -2.237 365 HG13 ILE 46 3HG1 ILE 46 13.071 5.740 -3.159 366 HG21 ILE 46 2HG2 ILE 46 9.731 4.075 -5.199 367 HG22 ILE 46 1HG2 ILE 46 9.515 5.503 -4.185 368 HG23 ILE 46 3HG2 ILE 46 9.838 3.936 -3.444 369 HD11 ILE 46 3HD1 ILE 46 10.286 6.850 -2.913 370 HD12 ILE 46 2HD1 ILE 46 11.626 7.585 -3.794 371 HD13 ILE 46 1HD1 ILE 46 11.712 7.419 -2.039 372 H GLU 47 H GLU 47 10.701 1.817 -5.540 373 HA GLU 47 HA GLU 47 11.985 1.808 -8.162 374 HB2 GLU 47 HB2 GLU 47 11.355 -0.339 -7.161 375 HB3 GLU 47 HB3 GLU 47 9.679 0.181 -7.070 376 HG2 GLU 47 HG2 GLU 47 9.689 0.379 -9.556 377 HG3 GLU 47 HG3 GLU 47 11.290 -0.357 -9.549 378 H ASN 48 H ASN 48 8.907 2.659 -6.670 379 HA ASN 48 HA ASN 48 7.840 3.474 -9.271 380 HB2 ASN 48 HB2 ASN 48 6.472 3.122 -6.597 381 HB3 ASN 48 HB3 ASN 48 5.660 3.586 -8.091 382 HD21 ASN 48 1HD2 ASN 48 5.237 2.059 -9.621 383 HD22 ASN 48 2HD2 ASN 48 5.492 0.367 -9.368 384 H GLU 49 H GLU 49 7.909 4.700 -5.948 385 HA GLU 49 HA GLU 49 7.995 6.760 -5.049 386 HB2 GLU 49 HB2 GLU 49 9.862 6.954 -6.910 387 HB3 GLU 49 HB3 GLU 49 8.703 8.033 -7.669 388 HG2 GLU 49 HG2 GLU 49 9.602 8.404 -4.832 389 HG3 GLU 49 HG3 GLU 49 10.495 9.067 -6.195 390 H LEU 50 H LEU 50 5.812 6.692 -4.713 391 HA LEU 50 HA LEU 50 3.940 7.694 -6.663 392 HB2 LEU 50 HB2 LEU 50 3.796 6.722 -3.840 393 HB3 LEU 50 HB3 LEU 50 2.473 7.689 -4.459 394 HG LEU 50 HG LEU 50 1.909 6.058 -6.090 395 HD11 LEU 50 2HD1 LEU 50 3.214 3.978 -6.398 396 HD12 LEU 50 1HD1 LEU 50 4.475 4.657 -5.367 397 HD13 LEU 50 3HD1 LEU 50 4.082 5.428 -6.901 398 HD21 LEU 50 3HD2 LEU 50 1.476 4.077 -4.733 399 HD22 LEU 50 2HD2 LEU 50 1.153 5.560 -3.834 400 HD23 LEU 50 1HD2 LEU 50 2.634 4.648 -3.530 401 H THR 51 H THR 51 3.369 9.753 -6.953 402 HA THR 51 HA THR 51 4.797 11.740 -5.372 403 HB THR 51 HB THR 51 4.148 13.336 -7.106 404 HG1 THR 51 HG1 THR 51 2.735 11.126 -8.256 405 HG21 THR 51 3HG2 THR 51 5.317 12.332 -9.021 406 HG22 THR 51 1HG2 THR 51 5.170 10.741 -8.270 407 HG23 THR 51 2HG2 THR 51 6.149 11.993 -7.504 408 H GLU 52 H GLU 52 3.607 13.750 -4.744 409 HA GLU 52 HA GLU 52 1.426 13.199 -3.106 410 HB2 GLU 52 HB2 GLU 52 2.960 15.237 -3.077 411 HB3 GLU 52 HB3 GLU 52 1.947 15.897 -4.352 412 HG2 GLU 52 HG2 GLU 52 1.230 16.825 -2.283 413 HG3 GLU 52 HG3 GLU 52 -0.005 15.690 -2.826 414 H LYS 53 H LYS 53 1.575 13.976 -6.484 415 HA LYS 53 HA LYS 53 -1.111 14.643 -6.976 416 HB2 LYS 53 HB2 LYS 53 0.717 13.105 -8.831 417 HB3 LYS 53 HB3 LYS 53 -0.655 14.106 -9.283 418 HG2 LYS 53 HG2 LYS 53 1.851 15.144 -7.981 419 HG3 LYS 53 HG3 LYS 53 1.547 15.146 -9.718 420 HD2 LYS 53 HD2 LYS 53 -0.403 16.573 -9.383 421 HD3 LYS 53 HD3 LYS 53 -0.130 16.548 -7.638 422 HE2 LYS 53 HE2 LYS 53 0.727 18.604 -8.650 423 HE3 LYS 53 HE3 LYS 53 2.023 17.642 -7.944 424 HZ1 LYS 53 HZ1 LYS 53 2.585 18.561 -10.142 425 HZ2 LYS 53 HZ2 LYS 53 1.329 17.666 -10.835 426 HZ3 LYS 53 HZ3 LYS 53 2.641 16.867 -10.121 427 H ASP 54 H ASP 54 0.579 11.527 -7.241 428 HA ASP 54 HA ASP 54 -1.725 9.963 -7.793 429 HB2 ASP 54 HB2 ASP 54 0.871 9.050 -6.522 430 HB3 ASP 54 HB3 ASP 54 -0.312 8.029 -7.325 431 H VAL 55 H VAL 55 0.062 10.736 -4.887 432 HA VAL 55 HA VAL 55 -1.200 8.947 -3.131 433 HB VAL 55 HB VAL 55 0.214 11.558 -2.553 434 HG11 VAL 55 2HG1 VAL 55 -1.149 10.874 -0.658 435 HG12 VAL 55 1HG1 VAL 55 0.570 10.675 -0.311 436 HG13 VAL 55 3HG1 VAL 55 -0.419 9.269 -0.705 437 HG21 VAL 55 3HG2 VAL 55 2.157 10.157 -2.097 438 HG22 VAL 55 2HG2 VAL 55 1.594 9.939 -3.753 439 HG23 VAL 55 1HG2 VAL 55 1.232 8.719 -2.531 440 H ASN 56 H ASN 56 -2.056 12.204 -4.170 441 HA ASN 56 HA ASN 56 -4.109 12.508 -2.168 442 HB2 ASN 56 HB2 ASN 56 -3.265 14.124 -4.550 443 HB3 ASN 56 HB3 ASN 56 -4.802 14.455 -3.761 444 HD21 ASN 56 1HD2 ASN 56 -1.943 13.343 -2.087 445 HD22 ASN 56 2HD2 ASN 56 -1.658 14.803 -1.209 446 H ILE 57 H ILE 57 -3.890 10.918 -5.161 447 HA ILE 57 HA ILE 57 -6.677 11.100 -5.858 448 HB ILE 57 HB ILE 57 -4.525 9.212 -6.840 449 HG12 ILE 57 2HG1 ILE 57 -5.760 11.651 -8.140 450 HG13 ILE 57 3HG1 ILE 57 -4.164 11.596 -7.397 451 HG21 ILE 57 2HG2 ILE 57 -7.308 9.670 -7.908 452 HG22 ILE 57 1HG2 ILE 57 -6.730 8.213 -7.101 453 HG23 ILE 57 3HG2 ILE 57 -6.067 8.675 -8.668 454 HD11 ILE 57 3HD1 ILE 57 -4.045 11.442 -9.825 455 HD12 ILE 57 2HD1 ILE 57 -5.041 9.985 -9.783 456 HD13 ILE 57 1HD1 ILE 57 -3.434 9.976 -9.054 457 H GLY 58 H GLY 58 -4.566 8.645 -4.404 458 HA2 GLY 58 HA1 GLY 58 -6.460 6.633 -4.036 459 HA3 GLY 58 HA2 GLY 58 -5.010 6.845 -3.069 460 H GLU 59 H GLU 59 -7.779 6.025 -2.409 461 HA GLU 59 HA GLU 59 -8.920 8.112 -0.791 462 HB2 GLU 59 HB2 GLU 59 -9.517 5.146 -0.767 463 HB3 GLU 59 HB3 GLU 59 -10.550 6.434 -0.169 464 HG2 GLU 59 HG2 GLU 59 -9.754 6.454 -3.030 465 HG3 GLU 59 HG3 GLU 59 -10.974 5.303 -2.493 466 H VAL 60 H VAL 60 -7.418 4.960 -0.140 467 HA VAL 60 HA VAL 60 -6.614 5.937 2.516 468 HB VAL 60 HB VAL 60 -6.779 3.584 3.322 469 HG11 VAL 60 2HG1 VAL 60 -9.228 3.551 3.536 470 HG12 VAL 60 1HG1 VAL 60 -9.339 4.800 2.294 471 HG13 VAL 60 3HG1 VAL 60 -8.550 5.151 3.832 472 HG21 VAL 60 3HG2 VAL 60 -8.132 1.983 2.031 473 HG22 VAL 60 2HG2 VAL 60 -6.640 2.420 1.196 474 HG23 VAL 60 1HG2 VAL 60 -8.175 3.123 0.684 475 H VAL 61 H VAL 61 -4.630 5.041 3.335 476 HA VAL 61 HA VAL 61 -2.820 4.186 1.176 477 HB VAL 61 HB VAL 61 -2.057 5.482 3.794 478 HG11 VAL 61 2HG1 VAL 61 0.096 5.838 2.706 479 HG12 VAL 61 1HG1 VAL 61 -0.497 5.022 1.258 480 HG13 VAL 61 3HG1 VAL 61 -0.316 4.124 2.765 481 HG21 VAL 61 3HG2 VAL 61 -1.691 7.541 2.507 482 HG22 VAL 61 2HG2 VAL 61 -3.385 7.048 2.482 483 HG23 VAL 61 1HG2 VAL 61 -2.361 6.759 1.076 484 H ILE 62 H ILE 62 -2.123 2.164 1.270 485 HA ILE 62 HA ILE 62 -2.235 0.751 3.849 486 HB ILE 62 HB ILE 62 -2.044 -0.398 1.054 487 HG12 ILE 62 2HG1 ILE 62 -4.351 -0.382 3.018 488 HG13 ILE 62 3HG1 ILE 62 -4.243 0.612 1.568 489 HG21 ILE 62 2HG2 ILE 62 -2.423 -2.570 2.147 490 HG22 ILE 62 1HG2 ILE 62 -2.342 -1.780 3.722 491 HG23 ILE 62 3HG2 ILE 62 -0.920 -1.815 2.678 492 HD11 ILE 62 3HD1 ILE 62 -4.293 -1.372 0.179 493 HD12 ILE 62 2HD1 ILE 62 -5.687 -1.334 1.258 494 HD13 ILE 62 1HD1 ILE 62 -4.324 -2.397 1.613 495 H PHE 63 H PHE 63 -0.339 0.781 4.884 496 HA PHE 63 HA PHE 63 2.120 0.767 3.285 497 HB2 PHE 63 HB2 PHE 63 1.337 2.089 5.749 498 HB3 PHE 63 HB3 PHE 63 2.838 1.187 5.944 499 HD1 PHE 63 HD2 PHE 63 1.174 3.811 3.962 500 HD2 PHE 63 HD1 PHE 63 4.849 1.951 5.011 501 HE1 PHE 63 HE2 PHE 63 2.404 5.625 2.850 502 HE2 PHE 63 HE1 PHE 63 6.087 3.759 3.902 503 HZ PHE 63 HZ PHE 63 4.865 5.598 2.815 504 H ALA 64 H ALA 64 2.396 -1.386 2.859 505 HA ALA 64 HA ALA 64 2.614 -3.181 5.158 506 HB1 ALA 64 HB1 ALA 64 2.870 -4.966 3.494 507 HB2 ALA 64 HB2 ALA 64 1.395 -4.037 3.224 508 HB3 ALA 64 HB3 ALA 64 2.808 -3.767 2.203 509 H VAL 65 H VAL 65 4.470 -2.466 6.126 510 HA VAL 65 HA VAL 65 6.946 -2.755 4.596 511 HB VAL 65 HB VAL 65 7.854 -0.649 5.518 512 HG11 VAL 65 2HG1 VAL 65 5.345 -0.291 3.886 513 HG12 VAL 65 1HG1 VAL 65 6.951 -0.669 3.261 514 HG13 VAL 65 3HG1 VAL 65 6.651 0.886 4.039 515 HG21 VAL 65 3HG2 VAL 65 5.025 -0.167 6.447 516 HG22 VAL 65 2HG2 VAL 65 6.314 1.037 6.446 517 HG23 VAL 65 1HG2 VAL 65 6.444 -0.393 7.470 518 H ASP 66 H ASP 66 8.602 -3.556 5.715 519 HA ASP 66 HA ASP 66 8.302 -3.787 8.640 520 HB2 ASP 66 HB2 ASP 66 8.907 -5.799 6.617 521 HB3 ASP 66 HB3 ASP 66 10.126 -5.745 7.886 522 H THR 67 H THR 67 9.927 -2.273 6.234 523 HA THR 67 HA THR 67 12.304 -1.880 7.913 524 HB THR 67 HB THR 67 13.629 -1.650 5.782 525 HG1 THR 67 HG1 THR 67 12.519 -1.747 3.985 526 HG21 THR 67 3HG2 THR 67 12.411 -4.350 6.375 527 HG22 THR 67 1HG2 THR 67 13.813 -3.640 7.176 528 HG23 THR 67 2HG2 THR 67 13.899 -4.076 5.470 529 H LYS 68 H LYS 68 13.541 -0.089 6.119 530 HA LYS 68 HA LYS 68 12.241 2.317 6.941 531 HB2 LYS 68 HB2 LYS 68 14.697 2.021 6.933 532 HB3 LYS 68 HB3 LYS 68 14.663 1.915 5.179 533 HG2 LYS 68 HG2 LYS 68 13.663 4.219 5.170 534 HG3 LYS 68 HG3 LYS 68 14.025 4.292 6.896 535 HD2 LYS 68 HD2 LYS 68 16.403 3.825 6.363 536 HD3 LYS 68 HD3 LYS 68 15.997 3.906 4.648 537 HE2 LYS 68 HE2 LYS 68 16.894 6.025 5.329 538 HE3 LYS 68 HE3 LYS 68 15.169 6.212 5.007 539 HZ1 LYS 68 HZ1 LYS 68 14.693 6.263 7.305 540 HZ2 LYS 68 HZ2 LYS 68 16.018 7.303 7.080 541 HZ3 LYS 68 HZ3 LYS 68 16.256 5.754 7.724 542 H VAL 69 H VAL 69 11.264 3.877 5.718 543 HA VAL 69 HA VAL 69 11.124 3.569 2.820 544 HB VAL 69 HB VAL 69 9.116 2.442 3.458 545 HG11 VAL 69 2HG1 VAL 69 7.414 3.446 4.918 546 HG12 VAL 69 1HG1 VAL 69 8.496 4.804 5.229 547 HG13 VAL 69 3HG1 VAL 69 8.940 3.182 5.763 548 HG21 VAL 69 3HG2 VAL 69 8.881 3.986 1.586 549 HG22 VAL 69 2HG2 VAL 69 8.427 5.278 2.698 550 HG23 VAL 69 1HG2 VAL 69 7.379 3.874 2.503 551 H ARG 70 H ARG 70 11.625 5.471 1.920 552 HA ARG 70 HA ARG 70 11.710 7.800 3.661 553 HB2 ARG 70 HB2 ARG 70 13.117 8.827 1.983 554 HB3 ARG 70 HB3 ARG 70 13.700 7.205 2.320 555 HG2 ARG 70 HG2 ARG 70 12.740 6.379 0.274 556 HG3 ARG 70 HG3 ARG 70 11.979 7.940 -0.037 557 HD2 ARG 70 HD2 ARG 70 14.948 7.424 0.103 558 HD3 ARG 70 HD3 ARG 70 14.011 7.631 -1.374 559 HE ARG 70 HE ARG 70 13.954 9.819 0.570 560 HH11 ARG 70 2HH1 ARG 70 15.138 8.555 -2.487 561 HH12 ARG 70 1HH1 ARG 70 15.734 10.093 -3.031 562 HH21 ARG 70 2HH2 ARG 70 14.715 11.843 -0.169 563 HH22 ARG 70 1HH2 ARG 70 15.461 11.965 -1.736 564 H ASN 71 H ASN 71 9.822 6.617 1.009 565 HA ASN 71 HA ASN 71 8.934 9.238 0.205 566 HB2 ASN 71 HB2 ASN 71 8.996 6.788 -1.070 567 HB3 ASN 71 HB3 ASN 71 7.280 7.043 -0.744 568 HD21 ASN 71 1HD2 ASN 71 6.851 7.310 -2.941 569 HD22 ASN 71 2HD2 ASN 71 7.278 8.783 -3.772 570 H LYS 72 H LYS 72 8.209 7.254 2.730 571 HA LYS 72 HA LYS 72 5.441 7.395 3.060 572 HB2 LYS 72 HB2 LYS 72 6.978 6.074 4.505 573 HB3 LYS 72 HB3 LYS 72 7.557 7.571 5.222 574 HG2 LYS 72 HG2 LYS 72 5.342 8.024 6.118 575 HG3 LYS 72 HG3 LYS 72 4.723 6.562 5.347 576 HD2 LYS 72 HD2 LYS 72 6.210 5.196 6.707 577 HD3 LYS 72 HD3 LYS 72 6.880 6.647 7.456 578 HE2 LYS 72 HE2 LYS 72 4.692 7.183 8.393 579 HE3 LYS 72 HE3 LYS 72 3.999 5.765 7.610 580 HZ1 LYS 72 HZ1 LYS 72 4.553 5.465 9.998 581 HZ2 LYS 72 HZ2 LYS 72 6.194 5.626 9.604 582 HZ3 LYS 72 HZ3 LYS 72 5.289 4.335 8.977 583 H GLU 73 H GLU 73 7.919 9.727 3.351 584 HA GLU 73 HA GLU 73 7.017 11.888 4.657 585 HB2 GLU 73 HB2 GLU 73 9.056 11.658 3.212 586 HB3 GLU 73 HB3 GLU 73 8.034 11.926 1.811 587 HG2 GLU 73 HG2 GLU 73 9.098 13.962 2.292 588 HG3 GLU 73 HG3 GLU 73 7.418 14.133 2.802 589 H ARG 74 H ARG 74 5.753 10.705 1.559 590 HA ARG 74 HA ARG 74 4.072 12.946 1.047 591 HB2 ARG 74 HB2 ARG 74 4.579 10.327 -0.165 592 HB3 ARG 74 HB3 ARG 74 2.911 10.860 -0.313 593 HG2 ARG 74 HG2 ARG 74 3.505 12.077 -2.051 594 HG3 ARG 74 HG3 ARG 74 4.483 13.076 -0.975 595 HD2 ARG 74 HD2 ARG 74 5.416 10.548 -2.329 596 HD3 ARG 74 HD3 ARG 74 5.755 12.179 -2.905 597 HE ARG 74 HE ARG 74 6.751 11.053 -0.367 598 HH11 ARG 74 2HH1 ARG 74 7.149 13.059 -3.202 599 HH12 ARG 74 1HH1 ARG 74 8.650 13.745 -2.664 600 HH21 ARG 74 2HH2 ARG 74 8.752 11.955 0.338 601 HH22 ARG 74 1HH2 ARG 74 9.548 13.138 -0.649 602 H PHE 75 H PHE 75 3.406 9.669 2.242 603 HA PHE 75 HA PHE 75 0.590 10.192 2.462 604 HB2 PHE 75 HB2 PHE 75 1.991 7.789 3.597 605 HB3 PHE 75 HB3 PHE 75 0.370 7.909 2.928 606 HD1 PHE 75 HD1 PHE 75 3.957 7.802 2.080 607 HD2 PHE 75 HD2 PHE 75 -0.028 7.550 0.619 608 HE1 PHE 75 HE1 PHE 75 4.803 6.970 -0.077 609 HE2 PHE 75 HE2 PHE 75 0.811 6.715 -1.536 610 HZ PHE 75 HZ PHE 75 3.231 6.426 -1.887 611 H ASP 76 H ASP 76 2.942 11.285 4.360 612 HA ASP 76 HA ASP 76 2.550 10.124 6.888 613 HB2 ASP 76 HB2 ASP 76 4.534 11.491 6.225 614 HB3 ASP 76 HB3 ASP 76 3.526 12.933 6.331 615 H GLY 77 H GLY 77 1.056 12.930 5.361 616 HA2 GLY 77 HA1 GLY 77 -0.574 13.393 7.748 617 HA3 GLY 77 HA2 GLY 77 -0.467 14.446 6.347 618 H LYS 78 H LYS 78 -0.854 11.146 5.597 619 HA LYS 78 HA LYS 78 -3.696 11.637 5.018 620 HB2 LYS 78 HB2 LYS 78 -1.545 10.296 3.481 621 HB3 LYS 78 HB3 LYS 78 -3.129 9.533 3.427 622 HG2 LYS 78 HG2 LYS 78 -2.950 11.006 1.569 623 HG3 LYS 78 HG3 LYS 78 -4.089 11.708 2.715 624 HD2 LYS 78 HD2 LYS 78 -2.839 13.559 2.206 625 HD3 LYS 78 HD3 LYS 78 -1.924 12.941 3.584 626 HE2 LYS 78 HE2 LYS 78 -0.297 11.960 2.174 627 HE3 LYS 78 HE3 LYS 78 -1.274 12.239 0.735 628 HZ1 LYS 78 HZ1 LYS 78 0.444 13.877 0.823 629 HZ2 LYS 78 HZ2 LYS 78 0.045 14.302 2.420 630 HZ3 LYS 78 HZ3 LYS 78 -1.030 14.651 1.156 631 H VAL 79 H VAL 79 -4.744 9.269 4.637 632 HA VAL 79 HA VAL 79 -4.713 8.178 7.318 633 HB VAL 79 HB VAL 79 -6.889 8.597 6.429 634 HG11 VAL 79 2HG1 VAL 79 -6.367 8.549 4.062 635 HG12 VAL 79 1HG1 VAL 79 -7.746 7.506 4.411 636 HG13 VAL 79 3HG1 VAL 79 -6.155 6.802 4.127 637 HG21 VAL 79 3HG2 VAL 79 -7.937 6.374 6.571 638 HG22 VAL 79 2HG2 VAL 79 -6.734 6.631 7.835 639 HG23 VAL 79 1HG2 VAL 79 -6.343 5.631 6.437 640 H VAL 80 H VAL 80 -3.102 6.825 7.709 641 HA VAL 80 HA VAL 80 -2.363 4.873 5.636 642 HB VAL 80 HB VAL 80 -0.653 6.069 7.821 643 HG11 VAL 80 2HG1 VAL 80 0.081 4.100 5.658 644 HG12 VAL 80 1HG1 VAL 80 -0.032 3.752 7.383 645 HG13 VAL 80 3HG1 VAL 80 1.205 4.860 6.786 646 HG21 VAL 80 3HG2 VAL 80 0.591 7.082 5.964 647 HG22 VAL 80 2HG2 VAL 80 -1.084 7.632 6.017 648 HG23 VAL 80 1HG2 VAL 80 -0.589 6.426 4.829 649 H LEU 81 H LEU 81 -2.728 2.816 6.062 650 HA LEU 81 HA LEU 81 -2.835 1.919 8.859 651 HB2 LEU 81 HB2 LEU 81 -4.701 1.220 7.413 652 HB3 LEU 81 HB3 LEU 81 -3.561 0.452 6.323 653 HG LEU 81 HG LEU 81 -2.853 -0.895 8.442 654 HD11 LEU 81 2HD1 LEU 81 -5.652 -0.064 9.187 655 HD12 LEU 81 1HD1 LEU 81 -4.173 0.397 10.031 656 HD13 LEU 81 3HD1 LEU 81 -4.681 -1.292 10.001 657 HD21 LEU 81 3HD2 LEU 81 -3.787 -1.911 6.493 658 HD22 LEU 81 2HD2 LEU 81 -5.408 -1.365 6.930 659 HD23 LEU 81 1HD2 LEU 81 -4.585 -2.569 7.921 660 H GLU 82 H GLU 82 -0.992 1.114 9.679 661 HA GLU 82 HA GLU 82 1.101 0.342 7.778 662 HB2 GLU 82 HB2 GLU 82 1.470 2.059 9.648 663 HB3 GLU 82 HB3 GLU 82 1.476 0.683 10.743 664 HG2 GLU 82 HG2 GLU 82 3.385 -0.261 9.655 665 HG3 GLU 82 HG3 GLU 82 3.315 0.954 8.378 666 H VAL 83 H VAL 83 0.894 -1.667 7.211 667 HA VAL 83 HA VAL 83 0.378 -3.731 9.243 668 HB VAL 83 HB VAL 83 -1.286 -4.392 7.891 669 HG11 VAL 83 2HG1 VAL 83 -1.383 -2.135 6.978 670 HG12 VAL 83 1HG1 VAL 83 -1.766 -3.330 5.737 671 HG13 VAL 83 3HG1 VAL 83 -0.175 -2.564 5.764 672 HG21 VAL 83 3HG2 VAL 83 0.313 -6.025 7.071 673 HG22 VAL 83 2HG2 VAL 83 0.849 -4.899 5.825 674 HG23 VAL 83 1HG2 VAL 83 -0.794 -5.539 5.786 675 HA PRO 84 HA PRO 84 4.442 -5.482 8.540 676 HB2 PRO 84 HB2 PRO 84 3.012 -8.085 8.743 677 HB3 PRO 84 HB3 PRO 84 4.417 -7.501 9.643 678 HG2 PRO 84 HG2 PRO 84 2.027 -7.615 10.803 679 HG3 PRO 84 HG3 PRO 84 3.121 -6.254 11.113 680 HD2 PRO 84 HD2 PRO 84 0.700 -6.379 9.356 681 HD3 PRO 84 HD3 PRO 84 1.262 -5.065 10.411 682 H VAL 85 H VAL 85 5.591 -6.375 6.839 683 HA VAL 85 HA VAL 85 4.365 -6.067 4.322 684 HB VAL 85 HB VAL 85 6.787 -5.692 4.839 685 HG11 VAL 85 2HG1 VAL 85 8.331 -7.585 4.664 686 HG12 VAL 85 1HG1 VAL 85 6.957 -8.690 4.613 687 HG13 VAL 85 3HG1 VAL 85 7.261 -7.729 6.060 688 HG21 VAL 85 3HG2 VAL 85 6.165 -7.440 2.467 689 HG22 VAL 85 2HG2 VAL 85 7.598 -6.427 2.643 690 HG23 VAL 85 1HG2 VAL 85 6.000 -5.687 2.552 691 H SER 86 H SER 86 4.653 -8.863 6.333 692 HA SER 86 HA SER 86 4.383 -10.813 4.253 693 HB2 SER 86 HB2 SER 86 3.850 -11.067 7.220 694 HB3 SER 86 HB3 SER 86 4.031 -12.402 6.082 695 HG SER 86 HG SER 86 5.984 -10.522 6.925 696 H ALA 87 H ALA 87 2.126 -8.857 6.036 697 HA ALA 87 HA ALA 87 -0.047 -10.624 6.126 698 HB1 ALA 87 HB1 ALA 87 -0.166 -7.617 6.122 699 HB2 ALA 87 HB2 ALA 87 -1.412 -8.722 6.698 700 HB3 ALA 87 HB3 ALA 87 0.138 -8.632 7.531 701 HA PRO 88 HA PRO 88 -1.921 -8.339 2.258 702 HB2 PRO 88 HB2 PRO 88 -0.131 -7.341 0.455 703 HB3 PRO 88 HB3 PRO 88 -0.874 -6.378 1.737 704 HG2 PRO 88 HG2 PRO 88 1.811 -7.705 1.678 705 HG3 PRO 88 HG3 PRO 88 1.385 -6.070 2.221 706 HD2 PRO 88 HD2 PRO 88 1.781 -8.053 3.973 707 HD3 PRO 88 HD3 PRO 88 0.517 -6.833 4.237 708 H ILE 89 H ILE 89 0.658 -10.522 2.389 709 HA ILE 89 HA ILE 89 0.404 -11.451 -0.337 710 HB ILE 89 HB ILE 89 1.838 -12.724 1.999 711 HG12 ILE 89 2HG1 ILE 89 2.873 -10.976 -0.244 712 HG13 ILE 89 3HG1 ILE 89 2.699 -10.489 1.438 713 HG21 ILE 89 2HG2 ILE 89 3.040 -14.008 0.302 714 HG22 ILE 89 1HG2 ILE 89 2.060 -13.266 -0.962 715 HG23 ILE 89 3HG2 ILE 89 1.307 -14.326 0.228 716 HD11 ILE 89 3HD1 ILE 89 5.000 -11.001 0.924 717 HD12 ILE 89 2HD1 ILE 89 4.545 -12.617 0.384 718 HD13 ILE 89 1HD1 ILE 89 4.359 -12.169 2.080 719 H LYS 90 H LYS 90 -0.723 -12.403 2.865 720 HA LYS 90 HA LYS 90 -2.116 -14.710 1.728 721 HB2 LYS 90 HB2 LYS 90 -1.700 -13.803 4.575 722 HB3 LYS 90 HB3 LYS 90 -2.692 -15.185 4.135 723 HG2 LYS 90 HG2 LYS 90 -0.728 -16.262 3.139 724 HG3 LYS 90 HG3 LYS 90 0.260 -14.878 3.616 725 HD2 LYS 90 HD2 LYS 90 -0.198 -15.305 5.948 726 HD3 LYS 90 HD3 LYS 90 -1.306 -16.611 5.526 727 HE2 LYS 90 HE2 LYS 90 0.876 -17.461 6.250 728 HE3 LYS 90 HE3 LYS 90 0.527 -17.893 4.578 729 HZ1 LYS 90 HZ1 LYS 90 1.997 -16.216 3.799 730 HZ2 LYS 90 HZ2 LYS 90 2.832 -17.093 4.989 731 HZ3 LYS 90 HZ3 LYS 90 2.195 -15.563 5.355 732 H ASP 91 H ASP 91 -2.758 -11.604 3.243 733 HA ASP 91 HA ASP 91 -5.648 -12.102 2.939 734 HB2 ASP 91 HB2 ASP 91 -4.205 -10.681 5.175 735 HB3 ASP 91 HB3 ASP 91 -5.950 -10.642 4.958 736 H ALA 92 H ALA 92 -4.229 -10.887 0.893 737 HA ALA 92 HA ALA 92 -3.928 -8.128 0.987 738 HB1 ALA 92 HB1 ALA 92 -4.793 -9.792 -1.379 739 HB2 ALA 92 HB2 ALA 92 -4.133 -8.157 -1.448 740 HB3 ALA 92 HB3 ALA 92 -3.132 -9.489 -0.871 741 H GLU 93 H GLU 93 -6.870 -9.954 0.035 742 HA GLU 93 HA GLU 93 -8.424 -7.639 -0.453 743 HB2 GLU 93 HB2 GLU 93 -9.455 -10.321 0.489 744 HB3 GLU 93 HB3 GLU 93 -10.367 -9.082 -0.358 745 HG2 GLU 93 HG2 GLU 93 -9.945 -10.452 -2.100 746 HG3 GLU 93 HG3 GLU 93 -8.479 -9.474 -2.177 747 H LYS 94 H LYS 94 -7.602 -9.363 2.439 748 HA LYS 94 HA LYS 94 -9.678 -8.242 4.071 749 HB2 LYS 94 HB2 LYS 94 -8.664 -10.446 4.539 750 HB3 LYS 94 HB3 LYS 94 -7.126 -9.662 4.858 751 HG2 LYS 94 HG2 LYS 94 -8.133 -8.482 6.757 752 HG3 LYS 94 HG3 LYS 94 -9.662 -9.305 6.442 753 HD2 LYS 94 HD2 LYS 94 -7.055 -10.690 7.070 754 HD3 LYS 94 HD3 LYS 94 -8.334 -10.370 8.244 755 HE2 LYS 94 HE2 LYS 94 -9.855 -11.799 7.089 756 HE3 LYS 94 HE3 LYS 94 -8.761 -11.951 5.714 757 HZ1 LYS 94 HZ1 LYS 94 -8.747 -13.903 7.192 758 HZ2 LYS 94 HZ2 LYS 94 -8.162 -12.931 8.454 759 HZ3 LYS 94 HZ3 LYS 94 -7.222 -13.170 7.062 760 H VAL 95 H VAL 95 -6.280 -7.604 3.449 761 HA VAL 95 HA VAL 95 -5.903 -5.629 5.436 762 HB VAL 95 HB VAL 95 -4.170 -6.932 4.050 763 HG11 VAL 95 2HG1 VAL 95 -3.226 -5.774 2.132 764 HG12 VAL 95 1HG1 VAL 95 -4.567 -4.629 2.183 765 HG13 VAL 95 3HG1 VAL 95 -4.876 -6.336 1.850 766 HG21 VAL 95 3HG2 VAL 95 -2.474 -5.204 4.371 767 HG22 VAL 95 2HG2 VAL 95 -3.566 -5.315 5.752 768 HG23 VAL 95 1HG2 VAL 95 -3.748 -4.003 4.585 769 H ILE 96 H ILE 96 -6.948 -5.542 2.105 770 HA ILE 96 HA ILE 96 -7.162 -2.754 1.776 771 HB ILE 96 HB ILE 96 -8.744 -5.002 0.515 772 HG12 ILE 96 2HG1 ILE 96 -6.493 -3.270 -0.533 773 HG13 ILE 96 3HG1 ILE 96 -6.331 -4.937 0.011 774 HG21 ILE 96 2HG2 ILE 96 -10.088 -2.978 0.441 775 HG22 ILE 96 1HG2 ILE 96 -9.468 -3.361 -1.166 776 HG23 ILE 96 3HG2 ILE 96 -8.723 -2.075 -0.216 777 HD11 ILE 96 3HD1 ILE 96 -7.946 -3.987 -2.342 778 HD12 ILE 96 2HD1 ILE 96 -7.817 -5.659 -1.792 779 HD13 ILE 96 1HD1 ILE 96 -6.392 -4.819 -2.402 780 H ASN 97 H ASN 97 -9.573 -5.141 2.848 781 HA ASN 97 HA ASN 97 -11.629 -3.294 3.386 782 HB2 ASN 97 HB2 ASN 97 -11.077 -6.094 4.306 783 HB3 ASN 97 HB3 ASN 97 -12.397 -5.179 5.022 784 HD21 ASN 97 1HD2 ASN 97 -11.228 -6.791 2.189 785 HD22 ASN 97 2HD2 ASN 97 -12.719 -6.747 1.307 786 H ALA 98 H ALA 98 -8.938 -4.443 5.324 787 HA ALA 98 HA ALA 98 -9.726 -3.392 7.806 788 HB1 ALA 98 HB1 ALA 98 -7.906 -4.991 7.600 789 HB2 ALA 98 HB2 ALA 98 -6.946 -3.806 6.715 790 HB3 ALA 98 HB3 ALA 98 -7.350 -3.526 8.409 791 H ALA 99 H ALA 99 -7.791 -1.972 5.181 792 HA ALA 99 HA ALA 99 -7.366 0.528 6.454 793 HB1 ALA 99 HB1 ALA 99 -7.391 -0.140 3.509 794 HB2 ALA 99 HB2 ALA 99 -6.733 1.330 4.228 795 HB3 ALA 99 HB3 ALA 99 -5.995 -0.232 4.582 796 H LEU 100 H LEU 100 -9.941 -0.757 4.451 797 HA LEU 100 HA LEU 100 -11.315 1.671 4.013 798 HB2 LEU 100 HB2 LEU 100 -12.354 -1.160 4.116 799 HB3 LEU 100 HB3 LEU 100 -13.298 0.219 3.588 800 HG LEU 100 HG LEU 100 -10.796 -0.808 2.245 801 HD11 LEU 100 2HD1 LEU 100 -12.678 -2.314 1.951 802 HD12 LEU 100 1HD1 LEU 100 -12.323 -1.468 0.445 803 HD13 LEU 100 3HD1 LEU 100 -13.695 -0.971 1.434 804 HD21 LEU 100 3HD2 LEU 100 -12.696 1.397 1.447 805 HD22 LEU 100 2HD2 LEU 100 -11.352 0.792 0.480 806 HD23 LEU 100 1HD2 LEU 100 -11.037 1.607 2.011 807 H ALA 101 H ALA 101 -11.186 -0.513 6.721 808 HA ALA 101 HA ALA 101 -13.566 0.215 8.018 809 HB1 ALA 101 HB1 ALA 101 -12.558 -0.726 10.027 810 HB2 ALA 101 HB2 ALA 101 -12.275 -1.760 8.627 811 HB3 ALA 101 HB3 ALA 101 -10.981 -0.731 9.241 812 H LEU 102 H LEU 102 -10.578 1.897 7.684 813 HA LEU 102 HA LEU 102 -10.709 3.499 10.004 814 HB2 LEU 102 HB2 LEU 102 -9.253 3.699 7.400 815 HB3 LEU 102 HB3 LEU 102 -9.249 5.068 8.494 816 HG LEU 102 HG LEU 102 -7.242 3.792 8.818 817 HD11 LEU 102 2HD1 LEU 102 -8.239 4.789 10.799 818 HD12 LEU 102 1HD1 LEU 102 -7.393 3.292 11.190 819 HD13 LEU 102 3HD1 LEU 102 -9.154 3.309 11.091 820 HD21 LEU 102 3HD2 LEU 102 -7.286 1.460 9.572 821 HD22 LEU 102 2HD2 LEU 102 -7.961 1.648 7.954 822 HD23 LEU 102 1HD2 LEU 102 -9.034 1.426 9.335 823 H ILE 103 H ILE 103 -12.026 3.932 6.746 824 HA ILE 103 HA ILE 103 -13.273 6.428 7.694 825 HB ILE 103 HB ILE 103 -13.425 7.105 5.289 826 HG12 ILE 103 2HG1 ILE 103 -11.453 4.844 4.869 827 HG13 ILE 103 3HG1 ILE 103 -13.131 4.819 4.336 828 HG21 ILE 103 2HG2 ILE 103 -11.075 7.810 5.144 829 HG22 ILE 103 1HG2 ILE 103 -10.670 6.676 6.432 830 HG23 ILE 103 3HG2 ILE 103 -11.742 8.035 6.762 831 HD11 ILE 103 3HD1 ILE 103 -11.629 5.362 2.510 832 HD12 ILE 103 2HD1 ILE 103 -11.015 6.748 3.411 833 HD13 ILE 103 1HD1 ILE 103 -12.696 6.718 2.875 834 H ASP 104 H ASP 104 -13.805 3.594 5.620 835 HA ASP 104 HA ASP 104 -16.631 4.185 5.367 836 HB2 ASP 104 HB2 ASP 104 -14.806 2.051 4.302 837 HB3 ASP 104 HB3 ASP 104 -16.548 1.810 4.258 838 H GLU 105 H GLU 105 -14.532 1.898 6.993 839 HA GLU 105 HA GLU 105 -14.834 0.372 8.635 840 HB2 GLU 105 HB2 GLU 105 -15.635 2.342 9.894 841 HB3 GLU 105 HB3 GLU 105 -17.270 2.026 9.329 842 HG2 GLU 105 HG2 GLU 105 -17.276 -0.106 10.496 843 HG3 GLU 105 HG3 GLU 105 -15.624 0.180 11.039 844 H LYS 106 H LYS 106 -15.220 -1.270 7.097 845 HA LYS 106 HA LYS 106 -18.027 -2.151 7.006 846 HB2 LYS 106 HB2 LYS 106 -15.908 -2.650 4.902 847 HB3 LYS 106 HB3 LYS 106 -17.587 -3.162 4.833 848 HG2 LYS 106 HG2 LYS 106 -16.618 -0.310 4.825 849 HG3 LYS 106 HG3 LYS 106 -17.181 -1.219 3.424 850 HD2 LYS 106 HD2 LYS 106 -18.842 -0.592 5.863 851 HD3 LYS 106 HD3 LYS 106 -18.901 0.302 4.344 852 HE2 LYS 106 HE2 LYS 106 -19.583 -1.760 3.185 853 HE3 LYS 106 HE3 LYS 106 -19.572 -2.614 4.729 854 HZ1 LYS 106 HZ1 LYS 106 -21.267 -0.251 4.131 855 HZ2 LYS 106 HZ2 LYS 106 -21.325 -1.216 5.528 856 HZ3 LYS 106 HZ3 LYS 106 -21.797 -1.861 4.031 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -16.785 -1.239 -7.207 2 H2 MET 1 H2 MET 1 -16.917 0.163 -8.145 3 H3 MET 1 H3 MET 1 -18.134 -0.226 -7.036 4 HA MET 1 HA MET 1 -16.793 1.527 -6.149 5 HB2 MET 1 HB2 MET 1 -16.205 -1.129 -4.819 6 HB3 MET 1 HB3 MET 1 -16.031 0.445 -4.059 7 HG2 MET 1 HG2 MET 1 -18.615 -0.709 -5.081 8 HG3 MET 1 HG3 MET 1 -18.085 -0.718 -3.400 9 HE1 MET 1 HE1 MET 1 -20.994 1.904 -3.422 10 HE2 MET 1 HE2 MET 1 -20.882 0.395 -4.326 11 HE3 MET 1 HE3 MET 1 -20.357 0.457 -2.641 12 H LYS 2 H LYS 2 -15.094 2.484 -7.118 13 HA LYS 2 HA LYS 2 -12.594 0.956 -7.332 14 HB2 LYS 2 HB2 LYS 2 -13.510 3.477 -8.709 15 HB3 LYS 2 HB3 LYS 2 -11.853 2.893 -8.786 16 HG2 LYS 2 HG2 LYS 2 -12.689 0.785 -9.772 17 HG3 LYS 2 HG3 LYS 2 -14.313 1.479 -9.787 18 HD2 LYS 2 HD2 LYS 2 -13.598 3.235 -11.277 19 HD3 LYS 2 HD3 LYS 2 -11.922 2.687 -11.173 20 HE2 LYS 2 HE2 LYS 2 -12.582 0.551 -12.199 21 HE3 LYS 2 HE3 LYS 2 -14.236 1.145 -12.340 22 HZ1 LYS 2 HZ1 LYS 2 -11.894 2.469 -13.596 23 HZ2 LYS 2 HZ2 LYS 2 -13.530 2.829 -13.849 24 HZ3 LYS 2 HZ3 LYS 2 -12.891 1.355 -14.394 25 H ARG 3 H ARG 3 -12.121 1.144 -5.092 26 HA ARG 3 HA ARG 3 -11.670 3.744 -3.960 27 HB2 ARG 3 HB2 ARG 3 -12.276 1.722 -2.612 28 HB3 ARG 3 HB3 ARG 3 -10.687 1.061 -2.971 29 HG2 ARG 3 HG2 ARG 3 -10.692 2.052 -0.777 30 HG3 ARG 3 HG3 ARG 3 -9.655 2.990 -1.853 31 HD2 ARG 3 HD2 ARG 3 -11.008 4.469 -0.485 32 HD3 ARG 3 HD3 ARG 3 -11.468 4.602 -2.181 33 HE ARG 3 HE ARG 3 -13.113 2.697 -0.906 34 HH11 ARG 3 2HH1 ARG 3 -12.577 6.160 -1.102 35 HH12 ARG 3 1HH1 ARG 3 -14.209 6.550 -0.638 36 HH21 ARG 3 2HH2 ARG 3 -15.245 3.223 -0.291 37 HH22 ARG 3 1HH2 ARG 3 -15.723 4.891 -0.177 38 H LYS 4 H LYS 4 -9.966 4.958 -4.297 39 HA LYS 4 HA LYS 4 -7.675 3.889 -5.703 40 HB2 LYS 4 HB2 LYS 4 -6.912 6.344 -5.584 41 HB3 LYS 4 HB3 LYS 4 -8.281 5.946 -6.608 42 HG2 LYS 4 HG2 LYS 4 -8.622 6.969 -3.809 43 HG3 LYS 4 HG3 LYS 4 -8.439 8.047 -5.192 44 HD2 LYS 4 HD2 LYS 4 -10.600 5.967 -4.832 45 HD3 LYS 4 HD3 LYS 4 -10.795 7.708 -4.636 46 HE2 LYS 4 HE2 LYS 4 -10.281 8.056 -6.981 47 HE3 LYS 4 HE3 LYS 4 -9.983 6.332 -7.195 48 HZ1 LYS 4 HZ1 LYS 4 -12.584 7.546 -6.426 49 HZ2 LYS 4 HZ2 LYS 4 -12.296 5.896 -6.665 50 HZ3 LYS 4 HZ3 LYS 4 -12.190 6.970 -7.973 51 H ILE 5 H ILE 5 -5.989 3.111 -4.731 52 HA ILE 5 HA ILE 5 -5.504 3.873 -1.925 53 HB ILE 5 HB ILE 5 -5.227 1.085 -3.061 54 HG12 ILE 5 2HG1 ILE 5 -7.408 2.215 -1.288 55 HG13 ILE 5 3HG1 ILE 5 -7.592 1.808 -2.992 56 HG21 ILE 5 2HG2 ILE 5 -3.736 1.564 -1.191 57 HG22 ILE 5 1HG2 ILE 5 -4.987 0.415 -0.718 58 HG23 ILE 5 3HG2 ILE 5 -5.108 2.103 -0.222 59 HD11 ILE 5 3HD1 ILE 5 -7.137 -0.536 -2.475 60 HD12 ILE 5 2HD1 ILE 5 -8.525 0.079 -1.577 61 HD13 ILE 5 1HD1 ILE 5 -6.970 -0.123 -0.768 62 H ILE 6 H ILE 6 -3.457 4.411 -1.466 63 HA ILE 6 HA ILE 6 -1.363 3.581 -3.349 64 HB ILE 6 HB ILE 6 0.084 5.310 -2.401 65 HG12 ILE 6 2HG1 ILE 6 -1.112 5.364 -0.138 66 HG13 ILE 6 3HG1 ILE 6 -0.569 6.905 -0.788 67 HG21 ILE 6 2HG2 ILE 6 -1.097 7.272 -3.327 68 HG22 ILE 6 1HG2 ILE 6 -2.575 6.312 -3.392 69 HG23 ILE 6 3HG2 ILE 6 -1.178 5.848 -4.366 70 HD11 ILE 6 3HD1 ILE 6 -3.382 5.837 -0.873 71 HD12 ILE 6 2HD1 ILE 6 -2.845 7.381 -1.533 72 HD13 ILE 6 1HD1 ILE 6 -2.769 7.091 0.205 73 H ALA 7 H ALA 7 0.055 2.103 -2.724 74 HA ALA 7 HA ALA 7 0.222 1.477 0.146 75 HB1 ALA 7 HB1 ALA 7 0.152 -0.912 -0.374 76 HB2 ALA 7 HB2 ALA 7 -1.328 -0.099 -0.883 77 HB3 ALA 7 HB3 ALA 7 -0.106 -0.536 -2.078 78 H VAL 8 H VAL 8 2.242 1.313 0.861 79 HA VAL 8 HA VAL 8 4.366 0.999 -1.151 80 HB VAL 8 HB VAL 8 4.576 2.285 1.577 81 HG11 VAL 8 2HG1 VAL 8 6.819 2.962 0.837 82 HG12 VAL 8 1HG1 VAL 8 6.603 2.030 -0.644 83 HG13 VAL 8 3HG1 VAL 8 6.653 1.208 0.916 84 HG21 VAL 8 3HG2 VAL 8 4.881 4.381 0.338 85 HG22 VAL 8 2HG2 VAL 8 3.300 3.664 0.028 86 HG23 VAL 8 1HG2 VAL 8 4.582 3.524 -1.175 87 H THR 9 H THR 9 5.367 -0.838 -1.154 88 HA THR 9 HA THR 9 5.459 -2.482 1.278 89 HB THR 9 HB THR 9 6.222 -4.291 -0.351 90 HG1 THR 9 HG1 THR 9 5.991 -2.169 -2.061 91 HG21 THR 9 3HG2 THR 9 3.954 -4.782 -1.108 92 HG22 THR 9 1HG2 THR 9 3.469 -3.121 -0.765 93 HG23 THR 9 2HG2 THR 9 3.944 -4.190 0.554 94 H ALA 10 H ALA 10 7.332 -2.516 2.368 95 HA ALA 10 HA ALA 10 9.863 -2.305 0.968 96 HB1 ALA 10 HB1 ALA 10 9.063 -0.202 2.976 97 HB2 ALA 10 HB2 ALA 10 10.648 -0.360 2.217 98 HB3 ALA 10 HB3 ALA 10 9.237 0.042 1.238 99 H CYS 11 H CYS 11 10.610 -4.195 1.810 100 HA CYS 11 HA CYS 11 10.677 -4.414 4.747 101 HB2 CYS 11 HB2 CYS 11 9.260 -6.133 3.738 102 HB3 CYS 11 HB3 CYS 11 10.571 -6.615 2.669 103 HG CYS 11 HG CYS 11 9.904 -7.591 5.759 104 H ALA 12 H ALA 12 12.603 -4.959 5.736 105 HA ALA 12 HA ALA 12 14.979 -4.900 4.005 106 HB1 ALA 12 HB1 ALA 12 16.230 -4.307 6.012 107 HB2 ALA 12 HB2 ALA 12 14.880 -3.200 5.767 108 HB3 ALA 12 HB3 ALA 12 14.767 -4.470 6.985 109 H THR 13 H THR 13 13.045 -6.951 5.844 110 HA THR 13 HA THR 13 14.951 -8.864 6.705 111 HB THR 13 HB THR 13 12.074 -9.432 5.992 112 HG1 THR 13 HG1 THR 13 12.814 -7.572 7.647 113 HG21 THR 13 3HG2 THR 13 12.264 -11.054 7.859 114 HG22 THR 13 1HG2 THR 13 13.975 -10.647 8.001 115 HG23 THR 13 2HG2 THR 13 13.366 -11.405 6.528 116 H GLY 14 H GLY 14 12.646 -8.924 3.980 117 HA2 GLY 14 HA1 GLY 14 14.594 -10.484 2.437 118 HA3 GLY 14 HA2 GLY 14 12.980 -11.140 2.667 119 H VAL 15 H VAL 15 14.794 -9.732 0.469 120 HA VAL 15 HA VAL 15 13.321 -7.511 -0.457 121 HB VAL 15 HB VAL 15 15.122 -9.336 -2.061 122 HG11 VAL 15 2HG1 VAL 15 15.446 -7.382 -3.506 123 HG12 VAL 15 1HG1 VAL 15 14.278 -6.478 -2.541 124 HG13 VAL 15 3HG1 VAL 15 13.757 -7.888 -3.463 125 HG21 VAL 15 3HG2 VAL 15 16.902 -7.735 -1.552 126 HG22 VAL 15 2HG2 VAL 15 16.270 -8.487 -0.087 127 HG23 VAL 15 1HG2 VAL 15 15.799 -6.839 -0.506 128 H ALA 16 H ALA 16 13.254 -10.950 -1.316 129 HA ALA 16 HA ALA 16 11.405 -10.755 -3.440 130 HB1 ALA 16 HB1 ALA 16 12.769 -12.745 -3.050 131 HB2 ALA 16 HB2 ALA 16 11.876 -13.071 -1.563 132 HB3 ALA 16 HB3 ALA 16 11.054 -13.149 -3.122 133 H HIS 17 H HIS 17 11.001 -10.856 0.021 134 HA HIS 17 HA HIS 17 8.206 -11.416 0.023 135 HB2 HIS 17 HB2 HIS 17 10.037 -10.215 2.104 136 HB3 HIS 17 HB3 HIS 17 8.321 -10.478 2.388 137 HD1 HIS 17 HD1 HIS 17 8.958 -12.127 4.313 138 HD2 HIS 17 HD2 HIS 17 10.193 -13.306 0.517 139 HE1 HIS 17 HE1 HIS 17 9.598 -14.552 4.525 140 HE2 HIS 17 HE2 HIS 17 10.239 -15.277 2.197 141 H THR 18 H THR 18 10.158 -8.485 0.112 142 HA THR 18 HA THR 18 8.180 -6.566 0.435 143 HB THR 18 HB THR 18 10.605 -6.328 -1.354 144 HG1 THR 18 HG1 THR 18 11.802 -6.048 0.415 145 HG21 THR 18 3HG2 THR 18 9.043 -4.460 -1.534 146 HG22 THR 18 1HG2 THR 18 10.534 -3.962 -0.733 147 HG23 THR 18 2HG2 THR 18 9.076 -4.253 0.217 148 H TYR 19 H TYR 19 9.447 -8.029 -2.534 149 HA TYR 19 HA TYR 19 7.832 -6.404 -4.230 150 HB2 TYR 19 HB2 TYR 19 10.075 -7.372 -4.831 151 HB3 TYR 19 HB3 TYR 19 9.285 -8.940 -4.977 152 HD1 TYR 19 HD2 TYR 19 8.896 -5.440 -6.210 153 HD2 TYR 19 HD1 TYR 19 8.571 -9.589 -7.076 154 HE1 TYR 19 HE2 TYR 19 8.283 -4.899 -8.526 155 HE2 TYR 19 HE1 TYR 19 7.957 -9.061 -9.398 156 HH TYR 19 HH TYR 19 8.376 -6.014 -10.762 157 H MET 20 H MET 20 7.629 -9.762 -3.098 158 HA MET 20 HA MET 20 5.463 -10.474 -4.771 159 HB2 MET 20 HB2 MET 20 6.903 -12.163 -3.743 160 HB3 MET 20 HB3 MET 20 6.330 -11.695 -2.147 161 HG2 MET 20 HG2 MET 20 4.138 -12.492 -2.610 162 HG3 MET 20 HG3 MET 20 4.525 -12.736 -4.311 163 HE1 MET 20 HE1 MET 20 5.419 -13.871 -0.650 164 HE2 MET 20 HE2 MET 20 6.472 -15.253 -0.967 165 HE3 MET 20 HE3 MET 20 6.999 -13.626 -1.394 166 H ALA 21 H ALA 21 5.644 -8.898 -1.661 167 HA ALA 21 HA ALA 21 2.971 -9.188 -0.854 168 HB1 ALA 21 HB1 ALA 21 3.339 -7.243 0.549 169 HB2 ALA 21 HB2 ALA 21 4.752 -8.298 0.597 170 HB3 ALA 21 HB3 ALA 21 4.785 -6.826 -0.372 171 H ALA 22 H ALA 22 4.546 -6.763 -2.885 172 HA ALA 22 HA ALA 22 2.277 -5.144 -3.347 173 HB1 ALA 22 HB1 ALA 22 4.703 -5.556 -5.101 174 HB2 ALA 22 HB2 ALA 22 3.554 -4.220 -5.210 175 HB3 ALA 22 HB3 ALA 22 4.571 -4.395 -3.779 176 H GLN 23 H GLN 23 3.585 -7.964 -5.016 177 HA GLN 23 HA GLN 23 1.920 -7.830 -7.293 178 HB2 GLN 23 HB2 GLN 23 3.206 -10.271 -6.058 179 HB3 GLN 23 HB3 GLN 23 2.584 -10.149 -7.696 180 HG2 GLN 23 HG2 GLN 23 4.261 -8.410 -8.176 181 HG3 GLN 23 HG3 GLN 23 4.912 -8.624 -6.551 182 HE21 GLN 23 1HE2 GLN 23 4.637 -9.955 -9.729 183 HE22 GLN 23 2HE2 GLN 23 5.784 -11.238 -9.518 184 H ALA 24 H ALA 24 1.641 -9.715 -4.288 185 HA ALA 24 HA ALA 24 -0.815 -10.953 -5.001 186 HB1 ALA 24 HB1 ALA 24 -0.925 -11.646 -2.668 187 HB2 ALA 24 HB2 ALA 24 0.698 -11.886 -3.314 188 HB3 ALA 24 HB3 ALA 24 0.365 -10.515 -2.258 189 H LEU 25 H LEU 25 0.012 -8.077 -3.126 190 HA LEU 25 HA LEU 25 -2.573 -7.379 -2.288 191 HB2 LEU 25 HB2 LEU 25 -0.465 -6.379 -1.454 192 HB3 LEU 25 HB3 LEU 25 -0.273 -5.552 -2.986 193 HG LEU 25 HG LEU 25 -2.342 -4.285 -2.549 194 HD11 LEU 25 2HD1 LEU 25 -2.263 -5.650 0.139 195 HD12 LEU 25 1HD1 LEU 25 -3.473 -5.906 -1.119 196 HD13 LEU 25 3HD1 LEU 25 -3.345 -4.337 -0.324 197 HD21 LEU 25 3HD2 LEU 25 -0.289 -4.123 -0.346 198 HD22 LEU 25 2HD2 LEU 25 -1.408 -2.847 -0.824 199 HD23 LEU 25 1HD2 LEU 25 -0.151 -3.383 -1.941 200 H LYS 26 H LYS 26 -0.774 -6.535 -5.221 201 HA LYS 26 HA LYS 26 -2.693 -4.905 -6.447 202 HB2 LYS 26 HB2 LYS 26 -0.399 -5.117 -7.285 203 HB3 LYS 26 HB3 LYS 26 -0.699 -6.795 -7.716 204 HG2 LYS 26 HG2 LYS 26 -2.538 -5.901 -9.241 205 HG3 LYS 26 HG3 LYS 26 -1.817 -4.313 -8.977 206 HD2 LYS 26 HD2 LYS 26 -0.376 -6.726 -10.075 207 HD3 LYS 26 HD3 LYS 26 -0.988 -5.378 -11.032 208 HE2 LYS 26 HE2 LYS 26 0.510 -3.852 -9.869 209 HE3 LYS 26 HE3 LYS 26 1.087 -5.173 -8.852 210 HZ1 LYS 26 HZ1 LYS 26 1.362 -5.067 -11.809 211 HZ2 LYS 26 HZ2 LYS 26 1.992 -6.261 -10.782 212 HZ3 LYS 26 HZ3 LYS 26 2.594 -4.676 -10.711 213 H LYS 27 H LYS 27 -2.186 -8.401 -6.586 214 HA LYS 27 HA LYS 27 -4.159 -9.081 -8.426 215 HB2 LYS 27 HB2 LYS 27 -2.460 -10.660 -7.631 216 HB3 LYS 27 HB3 LYS 27 -3.169 -10.641 -6.024 217 HG2 LYS 27 HG2 LYS 27 -3.817 -12.654 -7.157 218 HG3 LYS 27 HG3 LYS 27 -5.234 -11.625 -6.949 219 HD2 LYS 27 HD2 LYS 27 -5.279 -12.560 -9.162 220 HD3 LYS 27 HD3 LYS 27 -4.936 -10.834 -9.286 221 HE2 LYS 27 HE2 LYS 27 -3.523 -12.120 -10.803 222 HE3 LYS 27 HE3 LYS 27 -2.561 -11.315 -9.565 223 HZ1 LYS 27 HZ1 LYS 27 -1.964 -13.692 -10.066 224 HZ2 LYS 27 HZ2 LYS 27 -3.417 -14.146 -9.322 225 HZ3 LYS 27 HZ3 LYS 27 -2.225 -13.334 -8.430 226 H GLY 28 H GLY 28 -4.382 -8.720 -4.902 227 HA2 GLY 28 HA1 GLY 28 -7.092 -9.509 -4.683 228 HA3 GLY 28 HA2 GLY 28 -6.196 -8.565 -3.502 229 H ALA 29 H ALA 29 -5.584 -6.332 -5.129 230 HA ALA 29 HA ALA 29 -7.989 -4.853 -4.808 231 HB1 ALA 29 HB1 ALA 29 -5.465 -4.049 -6.250 232 HB2 ALA 29 HB2 ALA 29 -6.740 -2.968 -5.686 233 HB3 ALA 29 HB3 ALA 29 -5.759 -3.861 -4.521 234 H LYS 30 H LYS 30 -6.244 -6.089 -7.617 235 HA LYS 30 HA LYS 30 -7.943 -5.062 -9.615 236 HB2 LYS 30 HB2 LYS 30 -5.694 -6.028 -10.013 237 HB3 LYS 30 HB3 LYS 30 -6.326 -7.619 -9.614 238 HG2 LYS 30 HG2 LYS 30 -7.884 -7.425 -11.530 239 HG3 LYS 30 HG3 LYS 30 -7.099 -5.904 -11.963 240 HD2 LYS 30 HD2 LYS 30 -4.941 -7.132 -12.117 241 HD3 LYS 30 HD3 LYS 30 -5.823 -8.634 -11.826 242 HE2 LYS 30 HE2 LYS 30 -7.177 -8.185 -13.840 243 HE3 LYS 30 HE3 LYS 30 -6.207 -6.743 -14.142 244 HZ1 LYS 30 HZ1 LYS 30 -4.233 -8.312 -14.137 245 HZ2 LYS 30 HZ2 LYS 30 -5.279 -8.400 -15.470 246 HZ3 LYS 30 HZ3 LYS 30 -5.363 -9.577 -14.250 247 H LYS 31 H LYS 31 -8.004 -8.000 -7.701 248 HA LYS 31 HA LYS 31 -10.088 -9.358 -9.008 249 HB2 LYS 31 HB2 LYS 31 -8.482 -10.345 -7.390 250 HB3 LYS 31 HB3 LYS 31 -9.281 -9.467 -6.095 251 HG2 LYS 31 HG2 LYS 31 -11.351 -10.719 -6.567 252 HG3 LYS 31 HG3 LYS 31 -10.479 -11.645 -7.794 253 HD2 LYS 31 HD2 LYS 31 -8.926 -12.452 -6.099 254 HD3 LYS 31 HD3 LYS 31 -9.749 -11.492 -4.870 255 HE2 LYS 31 HE2 LYS 31 -11.802 -12.791 -5.268 256 HE3 LYS 31 HE3 LYS 31 -10.932 -13.773 -6.447 257 HZ1 LYS 31 HZ1 LYS 31 -10.282 -13.548 -3.555 258 HZ2 LYS 31 HZ2 LYS 31 -9.421 -14.471 -4.688 259 HZ3 LYS 31 HZ3 LYS 31 -11.020 -14.876 -4.312 260 H MET 32 H MET 32 -10.086 -6.840 -6.588 261 HA MET 32 HA MET 32 -12.954 -7.087 -6.148 262 HB2 MET 32 HB2 MET 32 -10.879 -5.231 -4.984 263 HB3 MET 32 HB3 MET 32 -12.587 -5.164 -4.576 264 HG2 MET 32 HG2 MET 32 -10.806 -7.552 -4.152 265 HG3 MET 32 HG3 MET 32 -11.232 -6.370 -2.914 266 HE1 MET 32 HE1 MET 32 -12.216 -8.048 -1.238 267 HE2 MET 32 HE2 MET 32 -13.348 -9.335 -1.657 268 HE3 MET 32 HE3 MET 32 -11.704 -9.368 -2.293 269 H GLY 33 H GLY 33 -10.790 -5.371 -8.139 270 HA2 GLY 33 HA1 GLY 33 -11.378 -4.103 -10.001 271 HA3 GLY 33 HA2 GLY 33 -13.015 -3.983 -9.378 272 H ASN 34 H ASN 34 -10.098 -3.148 -7.588 273 HA ASN 34 HA ASN 34 -11.128 -0.409 -7.364 274 HB2 ASN 34 HB2 ASN 34 -9.066 -1.888 -5.721 275 HB3 ASN 34 HB3 ASN 34 -9.453 -0.185 -5.504 276 HD21 ASN 34 1HD2 ASN 34 -10.381 -3.415 -4.890 277 HD22 ASN 34 2HD2 ASN 34 -11.775 -3.064 -3.925 278 H LEU 35 H LEU 35 -9.088 1.136 -6.873 279 HA LEU 35 HA LEU 35 -7.276 0.831 -9.174 280 HB2 LEU 35 HB2 LEU 35 -8.353 3.385 -7.970 281 HB3 LEU 35 HB3 LEU 35 -7.199 3.291 -9.285 282 HG LEU 35 HG LEU 35 -10.056 2.317 -9.390 283 HD11 LEU 35 2HD1 LEU 35 -10.419 4.179 -10.899 284 HD12 LEU 35 1HD1 LEU 35 -8.738 4.680 -10.717 285 HD13 LEU 35 3HD1 LEU 35 -9.837 4.762 -9.339 286 HD21 LEU 35 3HD2 LEU 35 -8.553 0.974 -10.781 287 HD22 LEU 35 2HD2 LEU 35 -7.953 2.444 -11.548 288 HD23 LEU 35 1HD2 LEU 35 -9.636 1.963 -11.762 289 H ILE 36 H ILE 36 -5.493 0.019 -8.201 290 HA ILE 36 HA ILE 36 -4.583 1.339 -5.741 291 HB ILE 36 HB ILE 36 -5.121 -1.065 -5.504 292 HG12 ILE 36 2HG1 ILE 36 -2.180 -0.430 -5.217 293 HG13 ILE 36 3HG1 ILE 36 -3.435 0.031 -4.072 294 HG21 ILE 36 2HG2 ILE 36 -4.540 -1.808 -7.751 295 HG22 ILE 36 1HG2 ILE 36 -3.681 -2.751 -6.534 296 HG23 ILE 36 3HG2 ILE 36 -2.837 -1.487 -7.429 297 HD11 ILE 36 3HD1 ILE 36 -3.895 -2.313 -3.626 298 HD12 ILE 36 2HD1 ILE 36 -2.206 -1.919 -3.313 299 HD13 ILE 36 1HD1 ILE 36 -2.651 -2.785 -4.785 300 H LYS 37 H LYS 37 -2.609 2.188 -5.612 301 HA LYS 37 HA LYS 37 -0.746 1.753 -7.854 302 HB2 LYS 37 HB2 LYS 37 -1.728 4.062 -7.804 303 HB3 LYS 37 HB3 LYS 37 -1.034 4.278 -6.206 304 HG2 LYS 37 HG2 LYS 37 0.311 5.346 -7.931 305 HG3 LYS 37 HG3 LYS 37 1.201 4.059 -7.118 306 HD2 LYS 37 HD2 LYS 37 0.751 2.554 -8.990 307 HD3 LYS 37 HD3 LYS 37 -0.176 3.820 -9.795 308 HE2 LYS 37 HE2 LYS 37 2.727 4.100 -9.042 309 HE3 LYS 37 HE3 LYS 37 2.176 3.533 -10.617 310 HZ1 LYS 37 HZ1 LYS 37 1.311 5.590 -11.154 311 HZ2 LYS 37 HZ2 LYS 37 2.717 6.016 -10.305 312 HZ3 LYS 37 HZ3 LYS 37 1.205 6.111 -9.543 313 H VAL 38 H VAL 38 0.626 0.304 -7.043 314 HA VAL 38 HA VAL 38 1.363 0.540 -4.217 315 HB VAL 38 HB VAL 38 0.363 -1.606 -4.941 316 HG11 VAL 38 2HG1 VAL 38 1.172 -1.724 -7.211 317 HG12 VAL 38 1HG1 VAL 38 1.683 -3.157 -6.320 318 HG13 VAL 38 3HG1 VAL 38 2.836 -1.861 -6.644 319 HG21 VAL 38 3HG2 VAL 38 1.824 -1.572 -3.014 320 HG22 VAL 38 2HG2 VAL 38 3.237 -1.779 -4.050 321 HG23 VAL 38 1HG2 VAL 38 2.047 -3.073 -3.913 322 H GLU 39 H GLU 39 3.443 0.634 -3.561 323 HA GLU 39 HA GLU 39 5.506 0.952 -5.645 324 HB2 GLU 39 HB2 GLU 39 4.976 3.074 -4.515 325 HB3 GLU 39 HB3 GLU 39 5.314 2.329 -2.958 326 HG2 GLU 39 HG2 GLU 39 7.647 1.909 -3.789 327 HG3 GLU 39 HG3 GLU 39 7.250 2.924 -5.174 328 H THR 40 H THR 40 7.078 -0.548 -5.550 329 HA THR 40 HA THR 40 7.596 -1.881 -2.995 330 HB THR 40 HB THR 40 8.663 -2.516 -5.755 331 HG1 THR 40 HG1 THR 40 6.510 -3.536 -4.215 332 HG21 THR 40 3HG2 THR 40 9.394 -4.634 -4.746 333 HG22 THR 40 1HG2 THR 40 8.858 -4.061 -3.167 334 HG23 THR 40 2HG2 THR 40 10.187 -3.250 -3.995 335 H GLN 41 H GLN 41 9.077 -0.960 -1.731 336 HA GLN 41 HA GLN 41 11.367 0.369 -3.038 337 HB2 GLN 41 HB2 GLN 41 9.840 1.918 -1.839 338 HB3 GLN 41 HB3 GLN 41 10.138 1.028 -0.355 339 HG2 GLN 41 HG2 GLN 41 12.453 1.665 -0.374 340 HG3 GLN 41 HG3 GLN 41 12.266 2.431 -1.951 341 HE21 GLN 41 1HE2 GLN 41 9.637 3.553 -1.270 342 HE22 GLN 41 2HE2 GLN 41 9.962 4.869 -0.201 343 H GLY 42 H GLY 42 12.875 -1.199 -3.011 344 HA2 GLY 42 HA1 GLY 42 13.204 -2.896 -0.670 345 HA3 GLY 42 HA2 GLY 42 14.098 -3.015 -2.180 346 H ALA 43 H ALA 43 13.631 -0.646 0.425 347 HA ALA 43 HA ALA 43 15.048 0.724 1.543 348 HB1 ALA 43 HB1 ALA 43 16.016 -1.378 2.336 349 HB2 ALA 43 HB2 ALA 43 17.103 -1.403 0.946 350 HB3 ALA 43 HB3 ALA 43 17.249 -0.129 2.156 351 H THR 44 H THR 44 14.931 2.407 0.098 352 HA THR 44 HA THR 44 15.816 4.092 -1.137 353 HB THR 44 HB THR 44 18.318 2.409 -1.406 354 HG1 THR 44 HG1 THR 44 19.064 3.625 0.358 355 HG21 THR 44 3HG2 THR 44 18.179 4.166 -3.094 356 HG22 THR 44 1HG2 THR 44 19.410 4.560 -1.896 357 HG23 THR 44 2HG2 THR 44 17.839 5.362 -1.843 358 H GLY 45 H GLY 45 16.339 0.830 -2.410 359 HA2 GLY 45 HA1 GLY 45 16.201 1.678 -5.157 360 HA3 GLY 45 HA2 GLY 45 16.192 0.019 -4.572 361 H ILE 46 H ILE 46 14.308 2.684 -5.606 362 HA ILE 46 HA ILE 46 11.810 1.424 -4.770 363 HB ILE 46 HB ILE 46 12.170 4.069 -6.182 364 HG12 ILE 46 2HG1 ILE 46 11.886 3.519 -3.217 365 HG13 ILE 46 3HG1 ILE 46 13.368 4.036 -4.014 366 HG21 ILE 46 2HG2 ILE 46 9.928 4.526 -5.285 367 HG22 ILE 46 1HG2 ILE 46 9.876 2.891 -4.624 368 HG23 ILE 46 3HG2 ILE 46 9.944 3.135 -6.370 369 HD11 ILE 46 3HD1 ILE 46 12.305 5.900 -2.914 370 HD12 ILE 46 2HD1 ILE 46 10.812 5.611 -3.805 371 HD13 ILE 46 1HD1 ILE 46 12.263 6.131 -4.662 372 H GLU 47 H GLU 47 10.588 0.272 -6.117 373 HA GLU 47 HA GLU 47 11.480 -0.129 -8.832 374 HB2 GLU 47 HB2 GLU 47 9.143 -1.305 -7.321 375 HB3 GLU 47 HB3 GLU 47 9.698 -1.838 -8.901 376 HG2 GLU 47 HG2 GLU 47 11.349 -1.913 -6.393 377 HG3 GLU 47 HG3 GLU 47 10.442 -3.279 -7.040 378 H ASN 48 H ASN 48 8.672 1.281 -7.222 379 HA ASN 48 HA ASN 48 7.503 1.934 -9.849 380 HB2 ASN 48 HB2 ASN 48 6.098 1.842 -7.168 381 HB3 ASN 48 HB3 ASN 48 5.348 2.004 -8.752 382 HD21 ASN 48 1HD2 ASN 48 4.976 0.208 -9.968 383 HD22 ASN 48 2HD2 ASN 48 5.293 -1.401 -9.424 384 H GLU 49 H GLU 49 7.546 3.225 -6.546 385 HA GLU 49 HA GLU 49 7.858 5.281 -5.677 386 HB2 GLU 49 HB2 GLU 49 9.678 5.665 -7.274 387 HB3 GLU 49 HB3 GLU 49 8.514 6.201 -8.478 388 HG2 GLU 49 HG2 GLU 49 7.909 8.097 -7.115 389 HG3 GLU 49 HG3 GLU 49 8.964 7.537 -5.819 390 H LEU 50 H LEU 50 6.054 5.995 -4.906 391 HA LEU 50 HA LEU 50 3.832 6.712 -6.635 392 HB2 LEU 50 HB2 LEU 50 4.054 7.041 -3.644 393 HB3 LEU 50 HB3 LEU 50 2.587 7.018 -4.603 394 HG LEU 50 HG LEU 50 4.416 4.677 -4.074 395 HD11 LEU 50 2HD1 LEU 50 2.465 3.752 -2.913 396 HD12 LEU 50 1HD1 LEU 50 1.592 5.256 -3.204 397 HD13 LEU 50 3HD1 LEU 50 3.024 5.254 -2.175 398 HD21 LEU 50 3HD2 LEU 50 3.536 4.541 -6.329 399 HD22 LEU 50 2HD2 LEU 50 1.903 4.824 -5.728 400 HD23 LEU 50 1HD2 LEU 50 2.758 3.345 -5.292 401 H THR 51 H THR 51 3.697 8.674 -7.516 402 HA THR 51 HA THR 51 5.355 10.823 -6.522 403 HB THR 51 HB THR 51 4.533 12.119 -8.420 404 HG1 THR 51 HG1 THR 51 2.736 9.924 -8.695 405 HG21 THR 51 3HG2 THR 51 6.364 10.534 -8.816 406 HG22 THR 51 1HG2 THR 51 5.345 10.712 -10.245 407 HG23 THR 51 2HG2 THR 51 5.191 9.283 -9.224 408 H GLU 52 H GLU 52 4.349 13.031 -6.264 409 HA GLU 52 HA GLU 52 2.580 13.044 -4.134 410 HB2 GLU 52 HB2 GLU 52 4.094 14.912 -4.817 411 HB3 GLU 52 HB3 GLU 52 2.961 15.299 -6.105 412 HG2 GLU 52 HG2 GLU 52 1.211 15.656 -4.394 413 HG3 GLU 52 HG3 GLU 52 2.428 15.396 -3.146 414 H LYS 53 H LYS 53 1.883 13.178 -7.587 415 HA LYS 53 HA LYS 53 -0.836 13.917 -7.329 416 HB2 LYS 53 HB2 LYS 53 0.588 12.436 -9.540 417 HB3 LYS 53 HB3 LYS 53 -1.079 12.985 -9.639 418 HG2 LYS 53 HG2 LYS 53 -0.164 15.315 -9.149 419 HG3 LYS 53 HG3 LYS 53 1.422 14.627 -9.502 420 HD2 LYS 53 HD2 LYS 53 0.688 13.986 -11.718 421 HD3 LYS 53 HD3 LYS 53 -0.944 14.560 -11.370 422 HE2 LYS 53 HE2 LYS 53 -0.004 16.833 -11.025 423 HE3 LYS 53 HE3 LYS 53 1.565 16.218 -11.541 424 HZ1 LYS 53 HZ1 LYS 53 0.475 17.272 -13.378 425 HZ2 LYS 53 HZ2 LYS 53 -0.916 16.333 -13.166 426 HZ3 LYS 53 HZ3 LYS 53 0.526 15.602 -13.676 427 H ASP 54 H ASP 54 0.774 10.758 -7.573 428 HA ASP 54 HA ASP 54 -1.506 9.132 -7.488 429 HB2 ASP 54 HB2 ASP 54 1.214 8.588 -6.263 430 HB3 ASP 54 HB3 ASP 54 -0.032 7.380 -6.536 431 H VAL 55 H VAL 55 0.416 10.576 -4.971 432 HA VAL 55 HA VAL 55 -0.794 9.345 -2.759 433 HB VAL 55 HB VAL 55 0.657 11.985 -2.944 434 HG11 VAL 55 2HG1 VAL 55 1.088 11.699 -0.565 435 HG12 VAL 55 1HG1 VAL 55 0.109 10.232 -0.561 436 HG13 VAL 55 3HG1 VAL 55 -0.644 11.794 -0.896 437 HG21 VAL 55 3HG2 VAL 55 1.658 9.219 -2.291 438 HG22 VAL 55 2HG2 VAL 55 2.615 10.700 -2.249 439 HG23 VAL 55 1HG2 VAL 55 1.966 10.111 -3.780 440 H ASN 56 H ASN 56 -1.552 12.316 -4.501 441 HA ASN 56 HA ASN 56 -3.481 13.148 -2.532 442 HB2 ASN 56 HB2 ASN 56 -2.555 14.254 -5.153 443 HB3 ASN 56 HB3 ASN 56 -4.069 14.827 -4.460 444 HD21 ASN 56 1HD2 ASN 56 -0.613 14.660 -4.060 445 HD22 ASN 56 2HD2 ASN 56 -0.505 15.883 -2.839 446 H ILE 57 H ILE 57 -3.500 11.155 -5.319 447 HA ILE 57 HA ILE 57 -6.370 11.312 -5.666 448 HB ILE 57 HB ILE 57 -4.335 9.443 -6.897 449 HG12 ILE 57 2HG1 ILE 57 -4.117 11.759 -7.653 450 HG13 ILE 57 3HG1 ILE 57 -4.747 10.748 -8.948 451 HG21 ILE 57 2HG2 ILE 57 -7.273 9.738 -7.501 452 HG22 ILE 57 1HG2 ILE 57 -6.488 8.336 -6.774 453 HG23 ILE 57 3HG2 ILE 57 -6.129 8.783 -8.442 454 HD11 ILE 57 3HD1 ILE 57 -6.340 12.618 -7.211 455 HD12 ILE 57 2HD1 ILE 57 -7.005 11.579 -8.470 456 HD13 ILE 57 1HD1 ILE 57 -5.887 12.875 -8.895 457 H GLY 58 H GLY 58 -4.072 8.730 -4.758 458 HA2 GLY 58 HA1 GLY 58 -5.935 6.921 -3.751 459 HA3 GLY 58 HA2 GLY 58 -4.248 7.007 -3.267 460 H GLU 59 H GLU 59 -7.088 6.785 -1.954 461 HA GLU 59 HA GLU 59 -7.041 9.066 -0.165 462 HB2 GLU 59 HB2 GLU 59 -8.895 6.679 -0.236 463 HB3 GLU 59 HB3 GLU 59 -9.124 8.133 0.730 464 HG2 GLU 59 HG2 GLU 59 -9.302 9.462 -1.304 465 HG3 GLU 59 HG3 GLU 59 -9.065 8.010 -2.276 466 H VAL 60 H VAL 60 -7.075 5.530 0.254 467 HA VAL 60 HA VAL 60 -6.030 5.890 2.954 468 HB VAL 60 HB VAL 60 -6.454 3.442 3.214 469 HG11 VAL 60 2HG1 VAL 60 -8.913 3.634 3.262 470 HG12 VAL 60 1HG1 VAL 60 -8.794 5.128 2.332 471 HG13 VAL 60 3HG1 VAL 60 -8.110 5.042 3.955 472 HG21 VAL 60 3HG2 VAL 60 -7.677 3.706 0.467 473 HG22 VAL 60 2HG2 VAL 60 -7.840 2.305 1.527 474 HG23 VAL 60 1HG2 VAL 60 -6.256 2.752 0.893 475 H VAL 61 H VAL 61 -4.098 5.090 3.648 476 HA VAL 61 HA VAL 61 -2.226 4.297 1.512 477 HB VAL 61 HB VAL 61 -1.497 5.444 4.207 478 HG11 VAL 61 2HG1 VAL 61 0.649 5.913 3.127 479 HG12 VAL 61 1HG1 VAL 61 0.059 5.177 1.637 480 HG13 VAL 61 3HG1 VAL 61 0.264 4.193 3.086 481 HG21 VAL 61 3HG2 VAL 61 -1.854 6.914 1.597 482 HG22 VAL 61 2HG2 VAL 61 -1.146 7.594 3.063 483 HG23 VAL 61 1HG2 VAL 61 -2.839 7.097 3.048 484 H ILE 62 H ILE 62 -1.834 2.180 1.525 485 HA ILE 62 HA ILE 62 -1.944 0.712 4.052 486 HB ILE 62 HB ILE 62 -1.647 -0.293 1.215 487 HG12 ILE 62 2HG1 ILE 62 -3.961 -0.411 3.165 488 HG13 ILE 62 3HG1 ILE 62 -3.876 0.588 1.720 489 HG21 ILE 62 2HG2 ILE 62 -1.909 -1.835 3.794 490 HG22 ILE 62 1HG2 ILE 62 -0.485 -1.769 2.754 491 HG23 ILE 62 3HG2 ILE 62 -1.966 -2.534 2.177 492 HD11 ILE 62 3HD1 ILE 62 -3.931 -2.418 1.791 493 HD12 ILE 62 2HD1 ILE 62 -3.814 -1.427 0.336 494 HD13 ILE 62 1HD1 ILE 62 -5.263 -1.353 1.339 495 H PHE 63 H PHE 63 -0.148 0.636 5.201 496 HA PHE 63 HA PHE 63 2.413 0.632 3.771 497 HB2 PHE 63 HB2 PHE 63 1.602 1.634 6.460 498 HB3 PHE 63 HB3 PHE 63 3.253 1.067 6.238 499 HD1 PHE 63 HD1 PHE 63 3.387 1.969 3.281 500 HD2 PHE 63 HD2 PHE 63 2.214 3.910 6.878 501 HE1 PHE 63 HE1 PHE 63 4.024 4.140 2.316 502 HE2 PHE 63 HE2 PHE 63 2.842 6.085 5.917 503 HZ PHE 63 HZ PHE 63 3.750 6.199 3.632 504 H ALA 64 H ALA 64 2.820 -1.430 3.317 505 HA ALA 64 HA ALA 64 3.016 -3.283 5.595 506 HB1 ALA 64 HB1 ALA 64 1.685 -4.135 3.722 507 HB2 ALA 64 HB2 ALA 64 3.046 -3.875 2.631 508 HB3 ALA 64 HB3 ALA 64 3.166 -5.071 3.922 509 H VAL 65 H VAL 65 4.951 -2.589 6.461 510 HA VAL 65 HA VAL 65 7.279 -2.728 4.691 511 HB VAL 65 HB VAL 65 8.172 -0.612 5.684 512 HG11 VAL 65 2HG1 VAL 65 7.257 -0.607 3.443 513 HG12 VAL 65 1HG1 VAL 65 6.804 0.885 4.271 514 HG13 VAL 65 3HG1 VAL 65 5.624 -0.412 4.081 515 HG21 VAL 65 3HG2 VAL 65 5.330 -0.243 6.623 516 HG22 VAL 65 2HG2 VAL 65 6.627 0.947 6.728 517 HG23 VAL 65 1HG2 VAL 65 6.722 -0.546 7.664 518 H ASP 66 H ASP 66 9.288 -2.703 5.760 519 HA ASP 66 HA ASP 66 9.314 -3.482 8.589 520 HB2 ASP 66 HB2 ASP 66 9.340 -5.573 7.394 521 HB3 ASP 66 HB3 ASP 66 10.528 -4.970 6.248 522 H THR 67 H THR 67 10.295 -1.463 6.234 523 HA THR 67 HA THR 67 12.737 -0.708 7.633 524 HB THR 67 HB THR 67 13.301 -2.249 5.696 525 HG1 THR 67 HG1 THR 67 14.838 -0.804 6.539 526 HG21 THR 67 3HG2 THR 67 11.653 -1.446 4.085 527 HG22 THR 67 1HG2 THR 67 13.288 -1.285 3.447 528 HG23 THR 67 2HG2 THR 67 12.435 0.134 4.056 529 H LYS 68 H LYS 68 13.551 1.385 6.015 530 HA LYS 68 HA LYS 68 11.587 3.348 6.702 531 HB2 LYS 68 HB2 LYS 68 14.053 3.753 5.010 532 HB3 LYS 68 HB3 LYS 68 13.143 4.990 5.860 533 HG2 LYS 68 HG2 LYS 68 13.785 3.813 7.999 534 HG3 LYS 68 HG3 LYS 68 14.900 2.854 7.024 535 HD2 LYS 68 HD2 LYS 68 14.915 5.836 7.453 536 HD3 LYS 68 HD3 LYS 68 16.150 4.670 7.923 537 HE2 LYS 68 HE2 LYS 68 15.386 5.357 5.083 538 HE3 LYS 68 HE3 LYS 68 16.788 5.995 5.938 539 HZ1 LYS 68 HZ1 LYS 68 17.432 4.171 4.529 540 HZ2 LYS 68 HZ2 LYS 68 16.291 3.147 5.249 541 HZ3 LYS 68 HZ3 LYS 68 17.611 3.706 6.152 542 H VAL 69 H VAL 69 10.594 4.855 5.303 543 HA VAL 69 HA VAL 69 10.471 4.108 2.458 544 HB VAL 69 HB VAL 69 8.140 5.133 4.096 545 HG11 VAL 69 2HG1 VAL 69 8.321 4.274 1.210 546 HG12 VAL 69 1HG1 VAL 69 8.067 5.916 1.806 547 HG13 VAL 69 3HG1 VAL 69 6.830 4.683 2.058 548 HG21 VAL 69 3HG2 VAL 69 7.139 2.932 3.750 549 HG22 VAL 69 2HG2 VAL 69 8.650 2.813 4.650 550 HG23 VAL 69 1HG2 VAL 69 8.607 2.389 2.938 551 H ARG 70 H ARG 70 11.152 5.744 1.212 552 HA ARG 70 HA ARG 70 11.798 8.267 2.384 553 HB2 ARG 70 HB2 ARG 70 11.922 7.413 -0.511 554 HB3 ARG 70 HB3 ARG 70 12.687 8.840 0.175 555 HG2 ARG 70 HG2 ARG 70 14.055 7.377 1.613 556 HG3 ARG 70 HG3 ARG 70 13.332 5.974 0.823 557 HD2 ARG 70 HD2 ARG 70 15.439 6.391 -0.211 558 HD3 ARG 70 HD3 ARG 70 14.175 6.854 -1.349 559 HE ARG 70 HE ARG 70 15.530 8.866 0.333 560 HH11 ARG 70 2HH1 ARG 70 14.502 7.684 -2.798 561 HH12 ARG 70 1HH1 ARG 70 15.067 9.076 -3.667 562 HH21 ARG 70 2HH2 ARG 70 16.300 10.701 -0.798 563 HH22 ARG 70 1HH2 ARG 70 16.104 10.795 -2.526 564 H ASN 71 H ASN 71 9.257 7.114 0.249 565 HA ASN 71 HA ASN 71 8.263 9.778 -0.249 566 HB2 ASN 71 HB2 ASN 71 7.273 7.037 -1.024 567 HB3 ASN 71 HB3 ASN 71 6.315 8.489 -1.324 568 HD21 ASN 71 1HD2 ASN 71 7.593 6.565 -3.183 569 HD22 ASN 71 2HD2 ASN 71 8.604 7.542 -4.198 570 H LYS 72 H LYS 72 8.093 7.760 2.344 571 HA LYS 72 HA LYS 72 5.423 7.629 3.094 572 HB2 LYS 72 HB2 LYS 72 7.239 6.387 4.193 573 HB3 LYS 72 HB3 LYS 72 7.842 7.888 4.883 574 HG2 LYS 72 HG2 LYS 72 5.709 8.130 6.113 575 HG3 LYS 72 HG3 LYS 72 5.203 6.562 5.480 576 HD2 LYS 72 HD2 LYS 72 6.095 6.312 7.724 577 HD3 LYS 72 HD3 LYS 72 7.156 5.521 6.557 578 HE2 LYS 72 HE2 LYS 72 8.661 7.431 6.602 579 HE3 LYS 72 HE3 LYS 72 7.584 8.272 7.715 580 HZ1 LYS 72 HZ1 LYS 72 8.984 5.712 8.291 581 HZ2 LYS 72 HZ2 LYS 72 7.991 6.574 9.367 582 HZ3 LYS 72 HZ3 LYS 72 9.460 7.238 8.851 583 H GLU 73 H GLU 73 7.651 10.275 3.269 584 HA GLU 73 HA GLU 73 6.684 11.820 5.315 585 HB2 GLU 73 HB2 GLU 73 7.661 13.738 4.179 586 HB3 GLU 73 HB3 GLU 73 8.710 12.332 4.039 587 HG2 GLU 73 HG2 GLU 73 7.953 11.956 1.770 588 HG3 GLU 73 HG3 GLU 73 6.825 13.305 1.903 589 H ARG 74 H ARG 74 5.229 11.461 2.121 590 HA ARG 74 HA ARG 74 3.553 13.790 2.524 591 HB2 ARG 74 HB2 ARG 74 2.709 13.300 0.268 592 HB3 ARG 74 HB3 ARG 74 4.462 13.423 0.323 593 HG2 ARG 74 HG2 ARG 74 4.182 10.772 0.658 594 HG3 ARG 74 HG3 ARG 74 2.738 11.117 -0.301 595 HD2 ARG 74 HD2 ARG 74 4.515 10.613 -1.819 596 HD3 ARG 74 HD3 ARG 74 4.206 12.344 -1.901 597 HE ARG 74 HE ARG 74 6.372 11.368 -0.194 598 HH11 ARG 74 2HH1 ARG 74 5.331 13.136 -3.023 599 HH12 ARG 74 1HH1 ARG 74 6.877 13.877 -3.298 600 HH21 ARG 74 2HH2 ARG 74 8.423 12.363 -0.544 601 HH22 ARG 74 1HH2 ARG 74 8.627 13.444 -1.885 602 H PHE 75 H PHE 75 3.310 10.425 3.124 603 HA PHE 75 HA PHE 75 0.412 10.440 3.183 604 HB2 PHE 75 HB2 PHE 75 2.303 8.304 4.180 605 HB3 PHE 75 HB3 PHE 75 0.600 8.129 3.790 606 HD1 PHE 75 HD2 PHE 75 -0.034 8.715 1.299 607 HD2 PHE 75 HD1 PHE 75 3.860 7.660 2.634 608 HE1 PHE 75 HE2 PHE 75 0.572 8.045 -0.991 609 HE2 PHE 75 HE1 PHE 75 4.476 6.991 0.350 610 HZ PHE 75 HZ PHE 75 2.827 7.184 -1.466 611 H ASP 76 H ASP 76 2.621 11.805 5.036 612 HA ASP 76 HA ASP 76 2.335 10.895 7.642 613 HB2 ASP 76 HB2 ASP 76 4.056 12.493 6.921 614 HB3 ASP 76 HB3 ASP 76 2.821 13.721 6.675 615 H GLY 77 H GLY 77 0.561 13.541 6.030 616 HA2 GLY 77 HA1 GLY 77 -1.337 13.577 8.266 617 HA3 GLY 77 HA2 GLY 77 -1.208 14.786 6.999 618 H LYS 78 H LYS 78 -1.406 11.299 6.526 619 HA LYS 78 HA LYS 78 -4.118 11.637 5.447 620 HB2 LYS 78 HB2 LYS 78 -1.758 10.289 4.152 621 HB3 LYS 78 HB3 LYS 78 -3.407 9.859 3.716 622 HG2 LYS 78 HG2 LYS 78 -3.850 12.124 3.002 623 HG3 LYS 78 HG3 LYS 78 -2.253 12.638 3.543 624 HD2 LYS 78 HD2 LYS 78 -2.401 12.298 1.091 625 HD3 LYS 78 HD3 LYS 78 -1.190 11.277 1.865 626 HE2 LYS 78 HE2 LYS 78 -2.469 10.045 0.191 627 HE3 LYS 78 HE3 LYS 78 -2.716 9.387 1.803 628 HZ1 LYS 78 HZ1 LYS 78 -4.779 9.563 0.507 629 HZ2 LYS 78 HZ2 LYS 78 -4.589 11.242 0.415 630 HZ3 LYS 78 HZ3 LYS 78 -4.844 10.497 1.918 631 H VAL 79 H VAL 79 -5.052 9.281 5.017 632 HA VAL 79 HA VAL 79 -4.978 8.079 7.645 633 HB VAL 79 HB VAL 79 -7.158 8.391 6.718 634 HG11 VAL 79 2HG1 VAL 79 -6.605 8.408 4.364 635 HG12 VAL 79 1HG1 VAL 79 -7.908 7.261 4.681 636 HG13 VAL 79 3HG1 VAL 79 -6.265 6.679 4.411 637 HG21 VAL 79 3HG2 VAL 79 -6.913 6.430 8.108 638 HG22 VAL 79 2HG2 VAL 79 -6.414 5.468 6.717 639 HG23 VAL 79 1HG2 VAL 79 -8.059 6.097 6.808 640 H VAL 80 H VAL 80 -3.786 6.418 8.211 641 HA VAL 80 HA VAL 80 -2.481 4.858 6.085 642 HB VAL 80 HB VAL 80 -1.436 5.614 8.817 643 HG11 VAL 80 2HG1 VAL 80 -0.117 3.967 6.664 644 HG12 VAL 80 1HG1 VAL 80 -0.708 3.368 8.212 645 HG13 VAL 80 3HG1 VAL 80 0.638 4.505 8.166 646 HG21 VAL 80 3HG2 VAL 80 -0.528 6.411 6.055 647 HG22 VAL 80 2HG2 VAL 80 0.253 6.870 7.570 648 HG23 VAL 80 1HG2 VAL 80 -1.376 7.441 7.206 649 H LEU 81 H LEU 81 -2.620 2.722 6.103 650 HA LEU 81 HA LEU 81 -3.732 1.368 8.475 651 HB2 LEU 81 HB2 LEU 81 -5.070 1.242 6.361 652 HB3 LEU 81 HB3 LEU 81 -3.720 0.445 5.590 653 HG LEU 81 HG LEU 81 -5.674 -1.000 6.369 654 HD11 LEU 81 2HD1 LEU 81 -2.894 -1.702 7.283 655 HD12 LEU 81 1HD1 LEU 81 -3.558 -1.950 5.667 656 HD13 LEU 81 3HD1 LEU 81 -4.219 -2.840 7.039 657 HD21 LEU 81 3HD2 LEU 81 -5.999 -0.018 8.555 658 HD22 LEU 81 2HD2 LEU 81 -4.372 -0.498 9.037 659 HD23 LEU 81 1HD2 LEU 81 -5.592 -1.727 8.707 660 H GLU 82 H GLU 82 -2.253 0.298 9.612 661 HA GLU 82 HA GLU 82 0.387 -0.161 8.423 662 HB2 GLU 82 HB2 GLU 82 0.152 1.139 10.540 663 HB3 GLU 82 HB3 GLU 82 -0.473 -0.310 11.314 664 HG2 GLU 82 HG2 GLU 82 1.681 -0.530 11.938 665 HG3 GLU 82 HG3 GLU 82 1.809 -1.297 10.356 666 H VAL 83 H VAL 83 0.877 -2.124 7.722 667 HA VAL 83 HA VAL 83 0.145 -4.428 9.370 668 HB VAL 83 HB VAL 83 -0.231 -5.778 7.245 669 HG11 VAL 83 2HG1 VAL 83 -2.590 -5.195 7.098 670 HG12 VAL 83 1HG1 VAL 83 -2.275 -3.665 7.916 671 HG13 VAL 83 3HG1 VAL 83 -2.043 -5.188 8.774 672 HG21 VAL 83 3HG2 VAL 83 -1.045 -4.539 5.286 673 HG22 VAL 83 2HG2 VAL 83 0.647 -4.185 5.639 674 HG23 VAL 83 1HG2 VAL 83 -0.608 -3.023 6.074 675 HA PRO 84 HA PRO 84 4.348 -5.650 8.451 676 HB2 PRO 84 HB2 PRO 84 3.461 -8.452 8.493 677 HB3 PRO 84 HB3 PRO 84 4.581 -7.620 9.574 678 HG2 PRO 84 HG2 PRO 84 2.138 -8.387 10.386 679 HG3 PRO 84 HG3 PRO 84 2.904 -6.901 10.979 680 HD2 PRO 84 HD2 PRO 84 0.786 -7.229 8.881 681 HD3 PRO 84 HD3 PRO 84 0.912 -6.016 10.174 682 H VAL 85 H VAL 85 5.567 -6.470 6.707 683 HA VAL 85 HA VAL 85 4.313 -6.300 4.186 684 HB VAL 85 HB VAL 85 6.719 -5.791 4.649 685 HG11 VAL 85 2HG1 VAL 85 7.025 -8.790 4.609 686 HG12 VAL 85 1HG1 VAL 85 7.264 -7.734 6.001 687 HG13 VAL 85 3HG1 VAL 85 8.344 -7.618 4.612 688 HG21 VAL 85 3HG2 VAL 85 5.934 -5.981 2.364 689 HG22 VAL 85 2HG2 VAL 85 6.182 -7.726 2.400 690 HG23 VAL 85 1HG2 VAL 85 7.565 -6.637 2.503 691 H SER 86 H SER 86 4.808 -8.948 6.320 692 HA SER 86 HA SER 86 4.612 -11.048 4.408 693 HB2 SER 86 HB2 SER 86 4.118 -11.123 7.392 694 HB3 SER 86 HB3 SER 86 4.465 -12.505 6.352 695 HG SER 86 HG SER 86 6.260 -11.402 7.627 696 H ALA 87 H ALA 87 2.301 -8.977 5.854 697 HA ALA 87 HA ALA 87 0.155 -10.841 6.063 698 HB1 ALA 87 HB1 ALA 87 -1.243 -8.933 6.568 699 HB2 ALA 87 HB2 ALA 87 0.279 -8.833 7.454 700 HB3 ALA 87 HB3 ALA 87 0.024 -7.834 6.024 701 HA PRO 88 HA PRO 88 -1.666 -8.592 2.151 702 HB2 PRO 88 HB2 PRO 88 0.755 -7.591 0.779 703 HB3 PRO 88 HB3 PRO 88 -0.805 -6.802 1.029 704 HG2 PRO 88 HG2 PRO 88 1.345 -6.027 2.393 705 HG3 PRO 88 HG3 PRO 88 -0.252 -6.092 3.166 706 HD2 PRO 88 HD2 PRO 88 2.018 -8.041 3.341 707 HD3 PRO 88 HD3 PRO 88 0.969 -7.417 4.632 708 H ILE 89 H ILE 89 1.229 -10.466 2.207 709 HA ILE 89 HA ILE 89 1.054 -11.420 -0.480 710 HB ILE 89 HB ILE 89 2.445 -12.693 1.882 711 HG12 ILE 89 2HG1 ILE 89 3.492 -10.808 -0.241 712 HG13 ILE 89 3HG1 ILE 89 3.273 -10.429 1.461 713 HG21 ILE 89 2HG2 ILE 89 2.749 -13.145 -1.083 714 HG22 ILE 89 1HG2 ILE 89 2.102 -14.285 0.099 715 HG23 ILE 89 3HG2 ILE 89 3.803 -13.822 0.157 716 HD11 ILE 89 3HD1 ILE 89 5.597 -10.834 1.002 717 HD12 ILE 89 2HD1 ILE 89 5.217 -12.406 0.297 718 HD13 ILE 89 1HD1 ILE 89 4.967 -12.130 2.021 719 H LYS 90 H LYS 90 0.006 -12.657 2.673 720 HA LYS 90 HA LYS 90 -1.283 -14.919 1.346 721 HB2 LYS 90 HB2 LYS 90 -1.601 -15.826 3.608 722 HB3 LYS 90 HB3 LYS 90 0.085 -15.457 3.280 723 HG2 LYS 90 HG2 LYS 90 -0.094 -13.409 4.586 724 HG3 LYS 90 HG3 LYS 90 -1.801 -13.742 4.886 725 HD2 LYS 90 HD2 LYS 90 -0.592 -14.431 6.822 726 HD3 LYS 90 HD3 LYS 90 -1.095 -15.891 5.970 727 HE2 LYS 90 HE2 LYS 90 1.179 -16.153 6.708 728 HE3 LYS 90 HE3 LYS 90 1.159 -16.014 4.951 729 HZ1 LYS 90 HZ1 LYS 90 1.847 -13.729 5.129 730 HZ2 LYS 90 HZ2 LYS 90 2.933 -14.700 5.991 731 HZ3 LYS 90 HZ3 LYS 90 1.769 -13.785 6.821 732 H ASP 91 H ASP 91 -2.054 -11.955 3.004 733 HA ASP 91 HA ASP 91 -4.921 -12.610 2.838 734 HB2 ASP 91 HB2 ASP 91 -3.352 -11.341 5.060 735 HB3 ASP 91 HB3 ASP 91 -5.063 -10.994 4.871 736 H ALA 92 H ALA 92 -3.631 -11.285 0.755 737 HA ALA 92 HA ALA 92 -3.458 -8.531 0.837 738 HB1 ALA 92 HB1 ALA 92 -4.461 -10.169 -1.485 739 HB2 ALA 92 HB2 ALA 92 -3.758 -8.554 -1.562 740 HB3 ALA 92 HB3 ALA 92 -2.764 -9.925 -1.067 741 H GLU 93 H GLU 93 -6.336 -10.439 -0.083 742 HA GLU 93 HA GLU 93 -8.046 -8.247 -0.474 743 HB2 GLU 93 HB2 GLU 93 -8.603 -11.131 0.216 744 HB3 GLU 93 HB3 GLU 93 -9.881 -9.970 -0.115 745 HG2 GLU 93 HG2 GLU 93 -9.247 -9.726 -2.349 746 HG3 GLU 93 HG3 GLU 93 -7.660 -10.438 -2.070 747 H LYS 94 H LYS 94 -7.027 -9.859 2.431 748 HA LYS 94 HA LYS 94 -9.102 -8.854 4.134 749 HB2 LYS 94 HB2 LYS 94 -6.321 -9.749 4.920 750 HB3 LYS 94 HB3 LYS 94 -7.728 -9.637 5.964 751 HG2 LYS 94 HG2 LYS 94 -7.690 -11.463 3.594 752 HG3 LYS 94 HG3 LYS 94 -7.002 -11.943 5.146 753 HD2 LYS 94 HD2 LYS 94 -9.192 -11.457 6.207 754 HD3 LYS 94 HD3 LYS 94 -9.854 -11.124 4.603 755 HE2 LYS 94 HE2 LYS 94 -10.333 -13.422 5.388 756 HE3 LYS 94 HE3 LYS 94 -9.394 -13.384 3.896 757 HZ1 LYS 94 HZ1 LYS 94 -8.314 -13.846 6.627 758 HZ2 LYS 94 HZ2 LYS 94 -7.382 -13.763 5.213 759 HZ3 LYS 94 HZ3 LYS 94 -8.503 -15.021 5.416 760 H VAL 95 H VAL 95 -5.758 -7.956 3.436 761 HA VAL 95 HA VAL 95 -5.530 -5.773 5.176 762 HB VAL 95 HB VAL 95 -4.141 -6.216 2.527 763 HG11 VAL 95 2HG1 VAL 95 -3.356 -4.471 4.859 764 HG12 VAL 95 1HG1 VAL 95 -3.923 -3.907 3.286 765 HG13 VAL 95 3HG1 VAL 95 -2.385 -4.763 3.415 766 HG21 VAL 95 3HG2 VAL 95 -3.842 -8.090 4.049 767 HG22 VAL 95 2HG2 VAL 95 -3.326 -6.987 5.325 768 HG23 VAL 95 1HG2 VAL 95 -2.337 -7.184 3.878 769 H ILE 96 H ILE 96 -6.636 -5.973 1.829 770 HA ILE 96 HA ILE 96 -6.937 -3.228 1.342 771 HB ILE 96 HB ILE 96 -8.506 -5.546 0.208 772 HG12 ILE 96 2HG1 ILE 96 -6.149 -4.043 -0.942 773 HG13 ILE 96 3HG1 ILE 96 -6.024 -5.592 -0.113 774 HG21 ILE 96 2HG2 ILE 96 -9.699 -3.443 -0.114 775 HG22 ILE 96 1HG2 ILE 96 -9.056 -4.042 -1.645 776 HG23 ILE 96 3HG2 ILE 96 -8.248 -2.716 -0.807 777 HD11 ILE 96 3HD1 ILE 96 -5.992 -5.864 -2.520 778 HD12 ILE 96 2HD1 ILE 96 -7.557 -5.063 -2.645 779 HD13 ILE 96 1HD1 ILE 96 -7.425 -6.616 -1.819 780 H ASN 97 H ASN 97 -9.279 -5.628 2.521 781 HA ASN 97 HA ASN 97 -11.399 -3.789 2.852 782 HB2 ASN 97 HB2 ASN 97 -10.861 -6.561 3.842 783 HB3 ASN 97 HB3 ASN 97 -12.200 -5.646 4.528 784 HD21 ASN 97 1HD2 ASN 97 -10.985 -7.314 1.756 785 HD22 ASN 97 2HD2 ASN 97 -12.441 -7.240 0.823 786 H ALA 98 H ALA 98 -8.701 -4.687 4.873 787 HA ALA 98 HA ALA 98 -9.646 -3.663 7.317 788 HB1 ALA 98 HB1 ALA 98 -6.800 -3.837 6.325 789 HB2 ALA 98 HB2 ALA 98 -7.300 -3.612 8.001 790 HB3 ALA 98 HB3 ALA 98 -7.683 -5.115 7.161 791 H ALA 99 H ALA 99 -7.902 -2.151 4.633 792 HA ALA 99 HA ALA 99 -7.546 0.387 5.788 793 HB1 ALA 99 HB1 ALA 99 -6.389 -0.305 3.756 794 HB2 ALA 99 HB2 ALA 99 -7.919 -0.326 2.878 795 HB3 ALA 99 HB3 ALA 99 -7.275 1.197 3.493 796 H LEU 100 H LEU 100 -10.195 -0.983 3.886 797 HA LEU 100 HA LEU 100 -11.819 1.336 3.865 798 HB2 LEU 100 HB2 LEU 100 -12.306 -1.575 3.396 799 HB3 LEU 100 HB3 LEU 100 -13.670 -0.492 3.534 800 HG LEU 100 HG LEU 100 -12.757 0.808 1.651 801 HD11 LEU 100 2HD1 LEU 100 -11.022 -0.177 0.232 802 HD12 LEU 100 1HD1 LEU 100 -10.756 -1.422 1.453 803 HD13 LEU 100 3HD1 LEU 100 -10.411 0.266 1.826 804 HD21 LEU 100 3HD2 LEU 100 -13.245 -2.109 1.115 805 HD22 LEU 100 2HD2 LEU 100 -13.332 -0.825 -0.091 806 HD23 LEU 100 1HD2 LEU 100 -14.470 -0.848 1.255 807 H ALA 101 H ALA 101 -11.346 -1.250 6.155 808 HA ALA 101 HA ALA 101 -13.653 -0.717 7.743 809 HB1 ALA 101 HB1 ALA 101 -12.559 -2.893 7.781 810 HB2 ALA 101 HB2 ALA 101 -11.105 -2.164 8.463 811 HB3 ALA 101 HB3 ALA 101 -12.602 -2.183 9.394 812 H LEU 102 H LEU 102 -10.519 0.715 7.513 813 HA LEU 102 HA LEU 102 -10.613 1.909 10.137 814 HB2 LEU 102 HB2 LEU 102 -8.716 1.818 7.895 815 HB3 LEU 102 HB3 LEU 102 -8.716 3.329 8.782 816 HG LEU 102 HG LEU 102 -7.010 1.766 9.614 817 HD11 LEU 102 2HD1 LEU 102 -9.252 2.254 11.570 818 HD12 LEU 102 1HD1 LEU 102 -7.992 3.408 11.133 819 HD13 LEU 102 3HD1 LEU 102 -7.571 1.920 11.981 820 HD21 LEU 102 3HD2 LEU 102 -9.349 0.025 10.381 821 HD22 LEU 102 2HD2 LEU 102 -7.662 -0.257 10.806 822 HD23 LEU 102 1HD2 LEU 102 -8.171 -0.330 9.118 823 H ILE 103 H ILE 103 -11.752 2.736 6.981 824 HA ILE 103 HA ILE 103 -12.082 5.528 7.804 825 HB ILE 103 HB ILE 103 -12.692 5.970 5.422 826 HG12 ILE 103 2HG1 ILE 103 -11.704 3.137 4.990 827 HG13 ILE 103 3HG1 ILE 103 -13.382 3.652 4.842 828 HG21 ILE 103 2HG2 ILE 103 -9.982 4.751 5.945 829 HG22 ILE 103 1HG2 ILE 103 -10.463 6.417 6.268 830 HG23 ILE 103 3HG2 ILE 103 -10.378 5.830 4.608 831 HD11 ILE 103 3HD1 ILE 103 -12.757 5.128 2.997 832 HD12 ILE 103 2HD1 ILE 103 -12.330 3.449 2.669 833 HD13 ILE 103 1HD1 ILE 103 -11.081 4.599 3.146 834 H ASP 104 H ASP 104 -13.993 2.755 6.683 835 HA ASP 104 HA ASP 104 -16.407 4.289 7.410 836 HB2 ASP 104 HB2 ASP 104 -16.074 2.262 5.195 837 HB3 ASP 104 HB3 ASP 104 -17.632 2.878 5.731 838 H GLU 105 H GLU 105 -14.638 1.364 7.764 839 HA GLU 105 HA GLU 105 -14.929 -0.542 8.955 840 HB2 GLU 105 HB2 GLU 105 -17.244 0.886 10.283 841 HB3 GLU 105 HB3 GLU 105 -16.461 -0.579 10.858 842 HG2 GLU 105 HG2 GLU 105 -14.381 0.673 11.182 843 HG3 GLU 105 HG3 GLU 105 -15.193 2.141 10.640 844 H LYS 106 H LYS 106 -15.472 -1.802 7.223 845 HA LYS 106 HA LYS 106 -18.286 -1.968 6.437 846 HB2 LYS 106 HB2 LYS 106 -16.478 -1.642 4.710 847 HB3 LYS 106 HB3 LYS 106 -15.890 -3.248 5.113 848 HG2 LYS 106 HG2 LYS 106 -18.132 -4.145 4.492 849 HG3 LYS 106 HG3 LYS 106 -18.551 -2.532 3.913 850 HD2 LYS 106 HD2 LYS 106 -16.583 -2.630 2.396 851 HD3 LYS 106 HD3 LYS 106 -16.330 -4.302 2.901 852 HE2 LYS 106 HE2 LYS 106 -17.529 -4.363 0.852 853 HE3 LYS 106 HE3 LYS 106 -18.666 -4.787 2.131 854 HZ1 LYS 106 HZ1 LYS 106 -18.408 -2.118 0.845 855 HZ2 LYS 106 HZ2 LYS 106 -19.496 -2.505 2.083 856 HZ3 LYS 106 HZ3 LYS 106 -19.650 -3.239 0.565 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -15.820 5.368 -6.398 2 H2 MET 1 H2 MET 1 -16.972 5.837 -7.553 3 H3 MET 1 H3 MET 1 -15.331 5.769 -7.967 4 HA MET 1 HA MET 1 -16.929 3.432 -7.127 5 HB2 MET 1 HB2 MET 1 -17.791 4.257 -9.250 6 HB3 MET 1 HB3 MET 1 -16.163 4.340 -9.909 7 HG2 MET 1 HG2 MET 1 -17.388 2.387 -10.718 8 HG3 MET 1 HG3 MET 1 -15.959 1.930 -9.790 9 HE1 MET 1 HE1 MET 1 -17.979 -0.271 -10.393 10 HE2 MET 1 HE2 MET 1 -16.644 -0.521 -9.269 11 HE3 MET 1 HE3 MET 1 -18.278 -0.998 -8.813 12 H LYS 2 H LYS 2 -14.191 4.235 -9.258 13 HA LYS 2 HA LYS 2 -12.817 1.852 -8.347 14 HB2 LYS 2 HB2 LYS 2 -11.885 3.928 -10.340 15 HB3 LYS 2 HB3 LYS 2 -11.199 2.327 -10.092 16 HG2 LYS 2 HG2 LYS 2 -13.363 1.346 -10.807 17 HG3 LYS 2 HG3 LYS 2 -13.933 2.975 -11.175 18 HD2 LYS 2 HD2 LYS 2 -13.180 2.020 -13.217 19 HD3 LYS 2 HD3 LYS 2 -11.968 3.203 -12.722 20 HE2 LYS 2 HE2 LYS 2 -10.910 1.163 -13.523 21 HE3 LYS 2 HE3 LYS 2 -10.583 1.406 -11.808 22 HZ1 LYS 2 HZ1 LYS 2 -12.325 -0.195 -11.292 23 HZ2 LYS 2 HZ2 LYS 2 -11.139 -0.892 -12.278 24 HZ3 LYS 2 HZ3 LYS 2 -12.628 -0.429 -12.945 25 H ARG 3 H ARG 3 -12.151 2.154 -6.315 26 HA ARG 3 HA ARG 3 -11.248 4.637 -5.280 27 HB2 ARG 3 HB2 ARG 3 -12.358 2.785 -3.982 28 HB3 ARG 3 HB3 ARG 3 -10.852 1.885 -4.097 29 HG2 ARG 3 HG2 ARG 3 -10.888 2.917 -1.972 30 HG3 ARG 3 HG3 ARG 3 -9.724 3.809 -2.956 31 HD2 ARG 3 HD2 ARG 3 -11.015 5.421 -1.800 32 HD3 ARG 3 HD3 ARG 3 -11.564 5.436 -3.474 33 HE ARG 3 HE ARG 3 -13.209 3.666 -2.091 34 HH11 ARG 3 2HH1 ARG 3 -12.447 7.097 -2.065 35 HH12 ARG 3 1HH1 ARG 3 -13.997 7.559 -1.440 36 HH21 ARG 3 2HH2 ARG 3 -15.243 4.277 -1.268 37 HH22 ARG 3 1HH2 ARG 3 -15.587 5.951 -0.974 38 H LYS 4 H LYS 4 -9.276 5.526 -5.339 39 HA LYS 4 HA LYS 4 -6.995 3.981 -6.237 40 HB2 LYS 4 HB2 LYS 4 -7.285 6.880 -5.444 41 HB3 LYS 4 HB3 LYS 4 -5.772 6.155 -5.974 42 HG2 LYS 4 HG2 LYS 4 -8.294 6.256 -7.607 43 HG3 LYS 4 HG3 LYS 4 -6.950 7.391 -7.754 44 HD2 LYS 4 HD2 LYS 4 -6.816 4.409 -8.215 45 HD3 LYS 4 HD3 LYS 4 -6.842 5.647 -9.469 46 HE2 LYS 4 HE2 LYS 4 -4.706 5.370 -7.359 47 HE3 LYS 4 HE3 LYS 4 -4.576 4.758 -9.007 48 HZ1 LYS 4 HZ1 LYS 4 -4.860 7.063 -9.797 49 HZ2 LYS 4 HZ2 LYS 4 -3.465 6.863 -8.852 50 HZ3 LYS 4 HZ3 LYS 4 -4.842 7.598 -8.191 51 H ILE 5 H ILE 5 -5.647 2.965 -4.956 52 HA ILE 5 HA ILE 5 -5.334 3.901 -2.175 53 HB ILE 5 HB ILE 5 -5.244 1.030 -3.140 54 HG12 ILE 5 2HG1 ILE 5 -7.222 2.413 -1.309 55 HG13 ILE 5 3HG1 ILE 5 -7.537 1.919 -2.969 56 HG21 ILE 5 2HG2 ILE 5 -3.614 1.444 -1.381 57 HG22 ILE 5 1HG2 ILE 5 -4.936 0.442 -0.781 58 HG23 ILE 5 3HG2 ILE 5 -4.869 2.155 -0.367 59 HD11 ILE 5 3HD1 ILE 5 -6.887 0.057 -0.690 60 HD12 ILE 5 2HD1 ILE 5 -7.263 -0.414 -2.348 61 HD13 ILE 5 1HD1 ILE 5 -8.493 0.362 -1.351 62 H ILE 6 H ILE 6 -3.271 4.355 -1.612 63 HA ILE 6 HA ILE 6 -1.147 3.434 -3.413 64 HB ILE 6 HB ILE 6 0.330 5.095 -2.314 65 HG12 ILE 6 2HG1 ILE 6 -1.106 5.254 -0.187 66 HG13 ILE 6 3HG1 ILE 6 -0.417 6.747 -0.807 67 HG21 ILE 6 2HG2 ILE 6 -0.735 5.600 -4.418 68 HG22 ILE 6 1HG2 ILE 6 -0.620 7.056 -3.430 69 HG23 ILE 6 3HG2 ILE 6 -2.162 6.213 -3.580 70 HD11 ILE 6 3HD1 ILE 6 -2.713 7.044 -0.057 71 HD12 ILE 6 2HD1 ILE 6 -3.256 5.827 -1.210 72 HD13 ILE 6 1HD1 ILE 6 -2.561 7.340 -1.789 73 H ALA 7 H ALA 7 0.253 1.945 -2.765 74 HA ALA 7 HA ALA 7 0.318 1.249 0.094 75 HB1 ALA 7 HB1 ALA 7 0.223 -1.115 -0.452 76 HB2 ALA 7 HB2 ALA 7 -1.204 -0.285 -1.074 77 HB3 ALA 7 HB3 ALA 7 0.102 -0.734 -2.170 78 H VAL 8 H VAL 8 2.336 1.573 0.735 79 HA VAL 8 HA VAL 8 4.528 1.111 -1.146 80 HB VAL 8 HB VAL 8 4.605 2.399 1.590 81 HG11 VAL 8 2HG1 VAL 8 6.846 3.141 0.932 82 HG12 VAL 8 1HG1 VAL 8 6.703 2.226 -0.570 83 HG13 VAL 8 3HG1 VAL 8 6.730 1.382 0.979 84 HG21 VAL 8 3HG2 VAL 8 3.328 3.726 -0.013 85 HG22 VAL 8 2HG2 VAL 8 4.663 3.641 -1.161 86 HG23 VAL 8 1HG2 VAL 8 4.865 4.506 0.363 87 H THR 9 H THR 9 5.541 -0.730 -1.113 88 HA THR 9 HA THR 9 5.482 -2.380 1.319 89 HB THR 9 HB THR 9 6.157 -4.245 -0.266 90 HG1 THR 9 HG1 THR 9 5.964 -2.111 -2.042 91 HG21 THR 9 3HG2 THR 9 3.879 -4.550 -1.166 92 HG22 THR 9 1HG2 THR 9 3.506 -2.879 -0.741 93 HG23 THR 9 2HG2 THR 9 3.866 -4.051 0.525 94 H ALA 10 H ALA 10 7.374 -2.939 2.311 95 HA ALA 10 HA ALA 10 9.907 -2.547 0.950 96 HB1 ALA 10 HB1 ALA 10 9.252 -0.954 3.426 97 HB2 ALA 10 HB2 ALA 10 10.801 -0.985 2.584 98 HB3 ALA 10 HB3 ALA 10 9.380 -0.300 1.793 99 H CYS 11 H CYS 11 11.678 -3.494 2.039 100 HA CYS 11 HA CYS 11 11.411 -4.590 4.663 101 HB2 CYS 11 HB2 CYS 11 10.191 -6.292 3.296 102 HB3 CYS 11 HB3 CYS 11 11.669 -6.557 2.377 103 HG CYS 11 HG CYS 11 12.132 -6.856 5.667 104 H ALA 12 H ALA 12 13.405 -5.084 5.546 105 HA ALA 12 HA ALA 12 15.664 -4.124 3.988 106 HB1 ALA 12 HB1 ALA 12 15.336 -3.316 6.278 107 HB2 ALA 12 HB2 ALA 12 15.521 -4.963 6.883 108 HB3 ALA 12 HB3 ALA 12 16.877 -4.156 6.096 109 H THR 13 H THR 13 14.463 -7.120 5.370 110 HA THR 13 HA THR 13 16.914 -8.483 4.514 111 HB THR 13 HB THR 13 15.932 -10.407 5.920 112 HG1 THR 13 HG1 THR 13 14.173 -10.004 7.054 113 HG21 THR 13 3HG2 THR 13 16.811 -7.845 7.260 114 HG22 THR 13 1HG2 THR 13 17.871 -9.099 6.617 115 HG23 THR 13 2HG2 THR 13 16.831 -9.447 7.998 116 H GLY 14 H GLY 14 13.505 -9.499 4.811 117 HA2 GLY 14 HA1 GLY 14 13.874 -11.302 2.566 118 HA3 GLY 14 HA2 GLY 14 12.464 -11.206 3.608 119 H VAL 15 H VAL 15 14.185 -9.334 1.138 120 HA VAL 15 HA VAL 15 12.025 -7.666 0.464 121 HB VAL 15 HB VAL 15 13.318 -7.212 -1.625 122 HG11 VAL 15 2HG1 VAL 15 14.858 -7.086 0.961 123 HG12 VAL 15 1HG1 VAL 15 13.675 -5.906 0.395 124 HG13 VAL 15 3HG1 VAL 15 15.191 -6.123 -0.480 125 HG21 VAL 15 3HG2 VAL 15 15.580 -8.143 -1.822 126 HG22 VAL 15 2HG2 VAL 15 14.345 -9.397 -1.933 127 HG23 VAL 15 1HG2 VAL 15 15.260 -9.190 -0.440 128 H ALA 16 H ALA 16 12.752 -10.926 -0.380 129 HA ALA 16 HA ALA 16 11.323 -11.223 -2.762 130 HB1 ALA 16 HB1 ALA 16 11.563 -13.197 -0.492 131 HB2 ALA 16 HB2 ALA 16 11.093 -13.574 -2.149 132 HB3 ALA 16 HB3 ALA 16 12.722 -12.992 -1.806 133 H HIS 17 H HIS 17 10.249 -10.943 0.551 134 HA HIS 17 HA HIS 17 7.545 -11.739 0.058 135 HB2 HIS 17 HB2 HIS 17 8.920 -10.362 2.359 136 HB3 HIS 17 HB3 HIS 17 7.172 -10.569 2.328 137 HD1 HIS 17 HD1 HIS 17 7.781 -12.034 4.569 138 HD2 HIS 17 HD2 HIS 17 8.854 -13.632 0.877 139 HE1 HIS 17 HE1 HIS 17 8.117 -14.498 4.961 140 HE2 HIS 17 HE2 HIS 17 8.887 -15.422 2.744 141 H THR 18 H THR 18 9.339 -8.766 -0.057 142 HA THR 18 HA THR 18 7.235 -6.915 -0.027 143 HB THR 18 HB THR 18 9.841 -6.679 -1.541 144 HG1 THR 18 HG1 THR 18 9.233 -6.213 1.208 145 HG21 THR 18 3HG2 THR 18 9.592 -4.282 -1.063 146 HG22 THR 18 1HG2 THR 18 8.034 -4.599 -0.305 147 HG23 THR 18 2HG2 THR 18 8.253 -4.898 -2.030 148 H TYR 19 H TYR 19 8.876 -8.532 -2.738 149 HA TYR 19 HA TYR 19 7.325 -7.224 -4.730 150 HB2 TYR 19 HB2 TYR 19 9.118 -9.648 -4.826 151 HB3 TYR 19 HB3 TYR 19 8.299 -9.008 -6.248 152 HD1 TYR 19 HD1 TYR 19 10.849 -8.296 -3.683 153 HD2 TYR 19 HD2 TYR 19 9.073 -7.023 -7.329 154 HE1 TYR 19 HE1 TYR 19 12.674 -6.681 -3.999 155 HE2 TYR 19 HE2 TYR 19 10.893 -5.403 -7.658 156 HH TYR 19 HH TYR 19 13.754 -5.451 -5.746 157 H MET 20 H MET 20 6.991 -10.265 -3.002 158 HA MET 20 HA MET 20 4.891 -11.296 -4.616 159 HB2 MET 20 HB2 MET 20 6.171 -12.761 -3.143 160 HB3 MET 20 HB3 MET 20 5.578 -11.887 -1.734 161 HG2 MET 20 HG2 MET 20 4.339 -13.917 -1.945 162 HG3 MET 20 HG3 MET 20 3.274 -12.562 -2.337 163 HE1 MET 20 HE1 MET 20 2.559 -15.568 -3.034 164 HE2 MET 20 HE2 MET 20 1.522 -14.206 -3.456 165 HE3 MET 20 HE3 MET 20 1.948 -15.403 -4.678 166 H ALA 21 H ALA 21 4.953 -9.449 -1.594 167 HA ALA 21 HA ALA 21 2.191 -9.379 -1.135 168 HB1 ALA 21 HB1 ALA 21 3.862 -8.718 0.537 169 HB2 ALA 21 HB2 ALA 21 4.242 -7.285 -0.420 170 HB3 ALA 21 HB3 ALA 21 2.642 -7.468 0.298 171 H ALA 22 H ALA 22 4.291 -7.325 -3.072 172 HA ALA 22 HA ALA 22 2.490 -5.312 -3.752 173 HB1 ALA 22 HB1 ALA 22 3.926 -4.914 -5.683 174 HB2 ALA 22 HB2 ALA 22 4.888 -5.231 -4.240 175 HB3 ALA 22 HB3 ALA 22 4.685 -6.491 -5.456 176 H GLN 23 H GLN 23 3.141 -8.403 -5.370 177 HA GLN 23 HA GLN 23 1.276 -8.017 -7.464 178 HB2 GLN 23 HB2 GLN 23 2.595 -10.485 -6.351 179 HB3 GLN 23 HB3 GLN 23 1.485 -10.543 -7.714 180 HG2 GLN 23 HG2 GLN 23 4.042 -8.960 -7.608 181 HG3 GLN 23 HG3 GLN 23 3.827 -10.512 -8.419 182 HE21 GLN 23 1HE2 GLN 23 4.606 -7.933 -9.522 183 HE22 GLN 23 2HE2 GLN 23 3.445 -7.567 -10.746 184 H ALA 24 H ALA 24 1.033 -9.584 -4.306 185 HA ALA 24 HA ALA 24 -1.544 -10.690 -4.777 186 HB1 ALA 24 HB1 ALA 24 -1.583 -11.123 -2.370 187 HB2 ALA 24 HB2 ALA 24 -0.044 -11.599 -3.087 188 HB3 ALA 24 HB3 ALA 24 -0.159 -10.102 -2.161 189 H LEU 25 H LEU 25 -0.456 -7.779 -3.045 190 HA LEU 25 HA LEU 25 -2.998 -6.834 -2.299 191 HB2 LEU 25 HB2 LEU 25 -0.427 -5.384 -2.900 192 HB3 LEU 25 HB3 LEU 25 -1.864 -4.555 -2.335 193 HG LEU 25 HG LEU 25 -0.432 -6.739 -0.821 194 HD11 LEU 25 2HD1 LEU 25 0.350 -4.954 0.637 195 HD12 LEU 25 1HD1 LEU 25 -0.428 -3.754 -0.395 196 HD13 LEU 25 3HD1 LEU 25 0.920 -4.709 -1.015 197 HD21 LEU 25 3HD2 LEU 25 -2.825 -6.603 -0.324 198 HD22 LEU 25 2HD2 LEU 25 -2.661 -4.878 0.003 199 HD23 LEU 25 1HD2 LEU 25 -1.853 -6.053 1.042 200 H LYS 26 H LYS 26 -1.058 -6.196 -5.186 201 HA LYS 26 HA LYS 26 -2.821 -4.392 -6.409 202 HB2 LYS 26 HB2 LYS 26 -0.444 -4.804 -7.057 203 HB3 LYS 26 HB3 LYS 26 -0.944 -6.332 -7.766 204 HG2 LYS 26 HG2 LYS 26 -2.392 -5.119 -9.331 205 HG3 LYS 26 HG3 LYS 26 -1.842 -3.593 -8.631 206 HD2 LYS 26 HD2 LYS 26 0.481 -4.205 -9.246 207 HD3 LYS 26 HD3 LYS 26 -0.145 -5.646 -10.050 208 HE2 LYS 26 HE2 LYS 26 -1.486 -4.208 -11.528 209 HE3 LYS 26 HE3 LYS 26 -0.802 -2.786 -10.738 210 HZ1 LYS 26 HZ1 LYS 26 1.388 -3.468 -11.482 211 HZ2 LYS 26 HZ2 LYS 26 0.343 -3.292 -12.803 212 HZ3 LYS 26 HZ3 LYS 26 0.740 -4.839 -12.236 213 H LYS 27 H LYS 27 -2.532 -7.898 -6.618 214 HA LYS 27 HA LYS 27 -4.383 -8.340 -8.667 215 HB2 LYS 27 HB2 LYS 27 -2.662 -9.929 -7.645 216 HB3 LYS 27 HB3 LYS 27 -3.839 -10.214 -6.375 217 HG2 LYS 27 HG2 LYS 27 -5.361 -11.216 -7.856 218 HG3 LYS 27 HG3 LYS 27 -4.483 -10.636 -9.273 219 HD2 LYS 27 HD2 LYS 27 -3.177 -12.458 -7.288 220 HD3 LYS 27 HD3 LYS 27 -4.214 -13.106 -8.560 221 HE2 LYS 27 HE2 LYS 27 -1.919 -13.187 -9.290 222 HE3 LYS 27 HE3 LYS 27 -2.782 -11.985 -10.240 223 HZ1 LYS 27 HZ1 LYS 27 -1.765 -10.236 -9.013 224 HZ2 LYS 27 HZ2 LYS 27 -0.532 -11.298 -9.487 225 HZ3 LYS 27 HZ3 LYS 27 -1.096 -11.319 -7.889 226 H GLY 28 H GLY 28 -4.779 -8.397 -5.143 227 HA2 GLY 28 HA1 GLY 28 -7.487 -9.132 -5.070 228 HA3 GLY 28 HA2 GLY 28 -6.630 -8.261 -3.807 229 H ALA 29 H ALA 29 -6.012 -5.899 -4.894 230 HA ALA 29 HA ALA 29 -8.414 -4.459 -4.777 231 HB1 ALA 29 HB1 ALA 29 -6.242 -3.485 -4.228 232 HB2 ALA 29 HB2 ALA 29 -5.776 -3.564 -5.927 233 HB3 ALA 29 HB3 ALA 29 -7.103 -2.517 -5.424 234 H LYS 30 H LYS 30 -6.430 -5.408 -7.571 235 HA LYS 30 HA LYS 30 -7.986 -4.139 -9.547 236 HB2 LYS 30 HB2 LYS 30 -6.092 -6.472 -9.602 237 HB3 LYS 30 HB3 LYS 30 -6.964 -5.981 -11.047 238 HG2 LYS 30 HG2 LYS 30 -5.214 -4.129 -9.451 239 HG3 LYS 30 HG3 LYS 30 -4.655 -5.061 -10.841 240 HD2 LYS 30 HD2 LYS 30 -6.334 -3.973 -12.247 241 HD3 LYS 30 HD3 LYS 30 -6.899 -3.045 -10.858 242 HE2 LYS 30 HE2 LYS 30 -4.775 -1.920 -10.690 243 HE3 LYS 30 HE3 LYS 30 -4.100 -2.929 -11.969 244 HZ1 LYS 30 HZ1 LYS 30 -5.598 -1.953 -13.542 245 HZ2 LYS 30 HZ2 LYS 30 -4.785 -0.703 -12.737 246 HZ3 LYS 30 HZ3 LYS 30 -6.385 -1.070 -12.334 247 H LYS 31 H LYS 31 -8.253 -7.267 -7.992 248 HA LYS 31 HA LYS 31 -10.236 -8.350 -9.702 249 HB2 LYS 31 HB2 LYS 31 -8.849 -9.712 -8.201 250 HB3 LYS 31 HB3 LYS 31 -9.604 -8.954 -6.808 251 HG2 LYS 31 HG2 LYS 31 -11.777 -9.897 -7.539 252 HG3 LYS 31 HG3 LYS 31 -10.922 -10.760 -8.822 253 HD2 LYS 31 HD2 LYS 31 -11.264 -12.217 -6.902 254 HD3 LYS 31 HD3 LYS 31 -9.543 -11.885 -7.123 255 HE2 LYS 31 HE2 LYS 31 -9.692 -10.134 -5.400 256 HE3 LYS 31 HE3 LYS 31 -11.388 -10.546 -5.150 257 HZ1 LYS 31 HZ1 LYS 31 -10.052 -11.609 -3.493 258 HZ2 LYS 31 HZ2 LYS 31 -9.048 -12.307 -4.669 259 HZ3 LYS 31 HZ3 LYS 31 -10.665 -12.803 -4.539 260 H MET 32 H MET 32 -10.335 -6.376 -6.798 261 HA MET 32 HA MET 32 -13.213 -6.567 -6.570 262 HB2 MET 32 HB2 MET 32 -11.159 -4.977 -5.026 263 HB3 MET 32 HB3 MET 32 -12.881 -4.951 -4.675 264 HG2 MET 32 HG2 MET 32 -11.131 -7.399 -4.591 265 HG3 MET 32 HG3 MET 32 -11.627 -6.449 -3.192 266 HE1 MET 32 HE1 MET 32 -12.597 -8.565 -1.976 267 HE2 MET 32 HE2 MET 32 -13.729 -9.695 -2.720 268 HE3 MET 32 HE3 MET 32 -12.078 -9.573 -3.326 269 H GLY 33 H GLY 33 -11.322 -4.934 -8.647 270 HA2 GLY 33 HA1 GLY 33 -12.093 -3.433 -10.254 271 HA3 GLY 33 HA2 GLY 33 -13.489 -3.102 -9.242 272 H ASN 34 H ASN 34 -10.502 -2.917 -7.625 273 HA ASN 34 HA ASN 34 -10.784 -0.006 -7.495 274 HB2 ASN 34 HB2 ASN 34 -9.267 -1.936 -5.724 275 HB3 ASN 34 HB3 ASN 34 -9.274 -0.190 -5.510 276 HD21 ASN 34 1HD2 ASN 34 -11.037 -3.121 -5.137 277 HD22 ASN 34 2HD2 ASN 34 -12.366 -2.459 -4.258 278 H LEU 35 H LEU 35 -8.629 1.165 -7.162 279 HA LEU 35 HA LEU 35 -6.680 0.145 -9.123 280 HB2 LEU 35 HB2 LEU 35 -7.559 2.999 -8.685 281 HB3 LEU 35 HB3 LEU 35 -6.275 2.497 -9.769 282 HG LEU 35 HG LEU 35 -9.166 1.683 -10.060 283 HD11 LEU 35 2HD1 LEU 35 -9.227 3.270 -11.912 284 HD12 LEU 35 1HD1 LEU 35 -7.585 3.786 -11.529 285 HD13 LEU 35 3HD1 LEU 35 -8.893 4.083 -10.383 286 HD21 LEU 35 3HD2 LEU 35 -6.801 1.397 -11.911 287 HD22 LEU 35 2HD2 LEU 35 -8.466 0.957 -12.291 288 HD23 LEU 35 1HD2 LEU 35 -7.591 0.090 -11.028 289 H ILE 36 H ILE 36 -5.099 -0.569 -7.799 290 HA ILE 36 HA ILE 36 -4.232 1.186 -5.617 291 HB ILE 36 HB ILE 36 -4.907 -1.115 -4.984 292 HG12 ILE 36 2HG1 ILE 36 -1.958 -0.542 -4.618 293 HG13 ILE 36 3HG1 ILE 36 -3.258 0.147 -3.651 294 HG21 ILE 36 2HG2 ILE 36 -4.262 -2.305 -6.984 295 HG22 ILE 36 1HG2 ILE 36 -3.443 -2.997 -5.584 296 HG23 ILE 36 3HG2 ILE 36 -2.562 -1.940 -6.685 297 HD11 ILE 36 3HD1 ILE 36 -3.852 -2.104 -2.876 298 HD12 ILE 36 2HD1 ILE 36 -2.190 -1.669 -2.470 299 HD13 ILE 36 1HD1 ILE 36 -2.511 -2.763 -3.814 300 H LYS 37 H LYS 37 -2.181 1.937 -5.547 301 HA LYS 37 HA LYS 37 -0.390 1.122 -7.739 302 HB2 LYS 37 HB2 LYS 37 -1.285 3.703 -7.029 303 HB3 LYS 37 HB3 LYS 37 0.389 3.610 -6.497 304 HG2 LYS 37 HG2 LYS 37 -0.608 3.040 -9.284 305 HG3 LYS 37 HG3 LYS 37 0.206 4.513 -8.757 306 HD2 LYS 37 HD2 LYS 37 2.204 3.202 -8.200 307 HD3 LYS 37 HD3 LYS 37 1.388 1.732 -8.738 308 HE2 LYS 37 HE2 LYS 37 1.205 2.644 -10.990 309 HE3 LYS 37 HE3 LYS 37 1.967 4.140 -10.461 310 HZ1 LYS 37 HZ1 LYS 37 3.255 1.461 -10.439 311 HZ2 LYS 37 HZ2 LYS 37 3.986 2.920 -9.989 312 HZ3 LYS 37 HZ3 LYS 37 3.520 2.671 -11.595 313 H VAL 38 H VAL 38 0.946 -0.322 -6.909 314 HA VAL 38 HA VAL 38 1.710 -0.130 -4.107 315 HB VAL 38 HB VAL 38 2.395 -2.315 -6.078 316 HG11 VAL 38 2HG1 VAL 38 3.867 -2.245 -4.150 317 HG12 VAL 38 1HG1 VAL 38 2.802 -3.646 -4.054 318 HG13 VAL 38 3HG1 VAL 38 2.478 -2.223 -3.064 319 HG21 VAL 38 3HG2 VAL 38 -0.027 -2.108 -5.848 320 HG22 VAL 38 2HG2 VAL 38 0.124 -2.177 -4.091 321 HG23 VAL 38 1HG2 VAL 38 0.555 -3.579 -5.071 322 H GLU 39 H GLU 39 3.474 0.800 -3.498 323 HA GLU 39 HA GLU 39 5.634 1.314 -5.396 324 HB2 GLU 39 HB2 GLU 39 4.731 3.194 -4.066 325 HB3 GLU 39 HB3 GLU 39 5.167 2.350 -2.589 326 HG2 GLU 39 HG2 GLU 39 7.495 2.565 -3.079 327 HG3 GLU 39 HG3 GLU 39 7.146 3.215 -4.682 328 H THR 40 H THR 40 7.689 0.499 -5.099 329 HA THR 40 HA THR 40 7.918 -1.558 -3.010 330 HB THR 40 HB THR 40 9.200 -1.637 -5.745 331 HG1 THR 40 HG1 THR 40 6.841 -2.886 -4.724 332 HG21 THR 40 3HG2 THR 40 8.948 -3.701 -3.551 333 HG22 THR 40 1HG2 THR 40 10.431 -2.905 -4.078 334 HG23 THR 40 2HG2 THR 40 9.592 -4.015 -5.163 335 H GLN 41 H GLN 41 9.270 -0.906 -1.496 336 HA GLN 41 HA GLN 41 11.740 0.489 -2.309 337 HB2 GLN 41 HB2 GLN 41 10.227 1.816 -0.851 338 HB3 GLN 41 HB3 GLN 41 10.312 0.548 0.362 339 HG2 GLN 41 HG2 GLN 41 12.809 0.947 0.412 340 HG3 GLN 41 HG3 GLN 41 12.496 2.397 -0.544 341 HE21 GLN 41 1HE2 GLN 41 13.193 3.779 1.073 342 HE22 GLN 41 2HE2 GLN 41 12.306 4.016 2.537 343 H GLY 42 H GLY 42 13.652 -0.479 -1.792 344 HA2 GLY 42 HA1 GLY 42 13.472 -2.986 -0.243 345 HA3 GLY 42 HA2 GLY 42 14.709 -2.635 -1.444 346 H ALA 43 H ALA 43 16.360 -1.172 -0.948 347 HA ALA 43 HA ALA 43 16.567 -0.310 1.846 348 HB1 ALA 43 HB1 ALA 43 18.748 -1.836 0.418 349 HB2 ALA 43 HB2 ALA 43 18.858 -1.126 2.029 350 HB3 ALA 43 HB3 ALA 43 17.745 -2.460 1.727 351 H THR 44 H THR 44 16.676 1.807 1.627 352 HA THR 44 HA THR 44 17.043 3.883 0.824 353 HB THR 44 HB THR 44 19.418 4.357 0.010 354 HG1 THR 44 HG1 THR 44 19.581 1.810 -0.303 355 HG21 THR 44 3HG2 THR 44 19.012 3.070 2.704 356 HG22 THR 44 1HG2 THR 44 18.701 4.757 2.294 357 HG23 THR 44 2HG2 THR 44 20.350 4.131 2.268 358 H GLY 45 H GLY 45 15.932 1.887 -1.046 359 HA2 GLY 45 HA1 GLY 45 16.348 3.426 -3.496 360 HA3 GLY 45 HA2 GLY 45 16.635 1.691 -3.567 361 H ILE 46 H ILE 46 14.493 3.820 -4.489 362 HA ILE 46 HA ILE 46 12.158 2.170 -3.768 363 HB ILE 46 HB ILE 46 12.207 5.127 -4.425 364 HG12 ILE 46 2HG1 ILE 46 11.596 3.706 -1.822 365 HG13 ILE 46 3HG1 ILE 46 13.094 4.558 -2.181 366 HG21 ILE 46 2HG2 ILE 46 9.815 5.075 -3.820 367 HG22 ILE 46 1HG2 ILE 46 9.907 3.318 -3.689 368 HG23 ILE 46 3HG2 ILE 46 10.175 4.102 -5.246 369 HD11 ILE 46 3HD1 ILE 46 11.638 5.911 -0.804 370 HD12 ILE 46 2HD1 ILE 46 10.354 5.785 -2.007 371 HD13 ILE 46 1HD1 ILE 46 11.842 6.647 -2.393 372 H GLU 47 H GLU 47 11.228 1.136 -5.420 373 HA GLU 47 HA GLU 47 12.243 1.658 -8.090 374 HB2 GLU 47 HB2 GLU 47 10.461 -0.557 -7.067 375 HB3 GLU 47 HB3 GLU 47 11.152 -0.468 -8.682 376 HG2 GLU 47 HG2 GLU 47 12.745 -0.614 -6.134 377 HG3 GLU 47 HG3 GLU 47 12.384 -1.984 -7.182 378 H ASN 48 H ASN 48 8.952 0.875 -6.923 379 HA ASN 48 HA ASN 48 7.835 2.293 -9.191 380 HB2 ASN 48 HB2 ASN 48 6.427 0.855 -6.929 381 HB3 ASN 48 HB3 ASN 48 5.648 1.514 -8.361 382 HD21 ASN 48 1HD2 ASN 48 5.586 -1.172 -7.447 383 HD22 ASN 48 2HD2 ASN 48 6.315 -2.152 -8.673 384 H GLU 49 H GLU 49 8.922 4.271 -8.216 385 HA GLU 49 HA GLU 49 8.021 5.562 -5.922 386 HB2 GLU 49 HB2 GLU 49 10.021 6.192 -7.200 387 HB3 GLU 49 HB3 GLU 49 9.007 6.764 -8.513 388 HG2 GLU 49 HG2 GLU 49 8.133 8.531 -7.119 389 HG3 GLU 49 HG3 GLU 49 9.042 7.919 -5.735 390 H LEU 50 H LEU 50 6.028 6.135 -5.403 391 HA LEU 50 HA LEU 50 3.935 6.412 -7.324 392 HB2 LEU 50 HB2 LEU 50 3.968 7.182 -4.406 393 HB3 LEU 50 HB3 LEU 50 2.538 7.004 -5.407 394 HG LEU 50 HG LEU 50 4.440 4.788 -4.638 395 HD11 LEU 50 2HD1 LEU 50 3.077 5.554 -2.772 396 HD12 LEU 50 1HD1 LEU 50 2.573 3.952 -3.310 397 HD13 LEU 50 3HD1 LEU 50 1.620 5.369 -3.748 398 HD21 LEU 50 3HD2 LEU 50 1.867 4.703 -6.208 399 HD22 LEU 50 2HD2 LEU 50 2.800 3.304 -5.675 400 HD23 LEU 50 1HD2 LEU 50 3.489 4.428 -6.847 401 H THR 51 H THR 51 2.894 8.220 -8.076 402 HA THR 51 HA THR 51 4.421 10.659 -8.078 403 HB THR 51 HB THR 51 2.776 11.511 -9.633 404 HG1 THR 51 HG1 THR 51 1.227 9.171 -9.603 405 HG21 THR 51 3HG2 THR 51 4.432 9.988 -10.563 406 HG22 THR 51 1HG2 THR 51 2.890 9.799 -11.398 407 HG23 THR 51 2HG2 THR 51 3.395 8.609 -10.199 408 H GLU 52 H GLU 52 3.459 12.756 -7.567 409 HA GLU 52 HA GLU 52 2.339 12.902 -4.998 410 HB2 GLU 52 HB2 GLU 52 3.606 14.741 -6.020 411 HB3 GLU 52 HB3 GLU 52 2.337 14.961 -7.216 412 HG2 GLU 52 HG2 GLU 52 0.784 15.425 -5.263 413 HG3 GLU 52 HG3 GLU 52 2.241 15.535 -4.275 414 H LYS 53 H LYS 53 0.933 13.001 -8.205 415 HA LYS 53 HA LYS 53 -1.685 13.729 -7.504 416 HB2 LYS 53 HB2 LYS 53 -0.738 12.054 -9.836 417 HB3 LYS 53 HB3 LYS 53 -2.315 12.823 -9.704 418 HG2 LYS 53 HG2 LYS 53 -1.312 15.007 -9.758 419 HG3 LYS 53 HG3 LYS 53 0.306 14.306 -9.719 420 HD2 LYS 53 HD2 LYS 53 -1.724 13.966 -11.923 421 HD3 LYS 53 HD3 LYS 53 -0.300 15.006 -11.978 422 HE2 LYS 53 HE2 LYS 53 1.106 12.976 -11.637 423 HE3 LYS 53 HE3 LYS 53 -0.353 11.999 -11.768 424 HZ1 LYS 53 HZ1 LYS 53 -0.689 12.967 -14.003 425 HZ2 LYS 53 HZ2 LYS 53 0.731 12.050 -13.875 426 HZ3 LYS 53 HZ3 LYS 53 0.816 13.745 -13.866 427 H ASP 54 H ASP 54 -0.235 10.505 -8.013 428 HA ASP 54 HA ASP 54 -2.560 9.028 -7.496 429 HB2 ASP 54 HB2 ASP 54 0.361 8.354 -7.272 430 HB3 ASP 54 HB3 ASP 54 -0.872 7.195 -6.788 431 H VAL 55 H VAL 55 -0.100 10.288 -5.346 432 HA VAL 55 HA VAL 55 -0.979 9.009 -2.997 433 HB VAL 55 HB VAL 55 0.517 11.609 -3.350 434 HG11 VAL 55 2HG1 VAL 55 -0.562 11.586 -1.186 435 HG12 VAL 55 1HG1 VAL 55 1.174 11.338 -0.996 436 HG13 VAL 55 3HG1 VAL 55 0.067 9.971 -0.862 437 HG21 VAL 55 3HG2 VAL 55 2.483 10.272 -2.778 438 HG22 VAL 55 2HG2 VAL 55 1.685 9.652 -4.225 439 HG23 VAL 55 1HG2 VAL 55 1.476 8.828 -2.679 440 H ASN 56 H ASN 56 -1.835 12.130 -4.448 441 HA ASN 56 HA ASN 56 -3.455 12.937 -2.234 442 HB2 ASN 56 HB2 ASN 56 -2.962 14.027 -4.977 443 HB3 ASN 56 HB3 ASN 56 -4.325 14.630 -4.039 444 HD21 ASN 56 1HD2 ASN 56 -0.858 14.446 -4.274 445 HD22 ASN 56 2HD2 ASN 56 -0.524 15.656 -3.083 446 H ILE 57 H ILE 57 -4.082 11.303 -5.285 447 HA ILE 57 HA ILE 57 -6.941 11.468 -4.995 448 HB ILE 57 HB ILE 57 -5.348 9.620 -6.784 449 HG12 ILE 57 2HG1 ILE 57 -4.795 11.945 -7.267 450 HG13 ILE 57 3HG1 ILE 57 -5.796 11.291 -8.557 451 HG21 ILE 57 2HG2 ILE 57 -7.418 9.534 -8.115 452 HG22 ILE 57 1HG2 ILE 57 -8.234 10.493 -6.878 453 HG23 ILE 57 3HG2 ILE 57 -7.635 8.878 -6.492 454 HD11 ILE 57 3HD1 ILE 57 -7.738 12.431 -7.639 455 HD12 ILE 57 2HD1 ILE 57 -6.433 13.567 -7.977 456 HD13 ILE 57 1HD1 ILE 57 -6.754 13.060 -6.319 457 H GLY 58 H GLY 58 -4.440 9.099 -4.268 458 HA2 GLY 58 HA1 GLY 58 -6.134 6.984 -3.480 459 HA3 GLY 58 HA2 GLY 58 -4.471 7.221 -2.959 460 H GLU 59 H GLU 59 -7.255 6.597 -1.680 461 HA GLU 59 HA GLU 59 -7.610 8.754 0.202 462 HB2 GLU 59 HB2 GLU 59 -8.762 6.020 0.624 463 HB3 GLU 59 HB3 GLU 59 -9.465 7.589 0.979 464 HG2 GLU 59 HG2 GLU 59 -9.008 6.663 -1.829 465 HG3 GLU 59 HG3 GLU 59 -10.453 6.228 -0.925 466 H VAL 60 H VAL 60 -6.907 5.301 0.666 467 HA VAL 60 HA VAL 60 -5.588 5.968 3.192 468 HB VAL 60 HB VAL 60 -5.828 3.550 3.724 469 HG11 VAL 60 2HG1 VAL 60 -8.222 3.622 4.151 470 HG12 VAL 60 1HG1 VAL 60 -8.404 4.931 2.983 471 HG13 VAL 60 3HG1 VAL 60 -7.487 5.194 4.466 472 HG21 VAL 60 3HG2 VAL 60 -7.331 2.176 2.348 473 HG22 VAL 60 2HG2 VAL 60 -5.879 2.649 1.465 474 HG23 VAL 60 1HG2 VAL 60 -7.409 3.472 1.153 475 H VAL 61 H VAL 61 -3.613 5.080 3.744 476 HA VAL 61 HA VAL 61 -1.939 4.277 1.451 477 HB VAL 61 HB VAL 61 -0.990 5.403 4.087 478 HG11 VAL 61 2HG1 VAL 61 1.074 5.848 2.839 479 HG12 VAL 61 1HG1 VAL 61 0.365 5.088 1.413 480 HG13 VAL 61 3HG1 VAL 61 0.669 4.131 2.863 481 HG21 VAL 61 3HG2 VAL 61 -1.514 6.879 1.511 482 HG22 VAL 61 2HG2 VAL 61 -0.700 7.548 2.924 483 HG23 VAL 61 1HG2 VAL 61 -2.394 7.069 3.027 484 H ILE 62 H ILE 62 -1.539 2.161 1.429 485 HA ILE 62 HA ILE 62 -1.593 0.655 3.928 486 HB ILE 62 HB ILE 62 -1.339 -0.296 1.070 487 HG12 ILE 62 2HG1 ILE 62 -3.638 -0.451 3.034 488 HG13 ILE 62 3HG1 ILE 62 -3.557 0.609 1.632 489 HG21 ILE 62 2HG2 ILE 62 -1.680 -2.550 1.993 490 HG22 ILE 62 1HG2 ILE 62 -1.589 -1.881 3.623 491 HG23 ILE 62 3HG2 ILE 62 -0.181 -1.814 2.561 492 HD11 ILE 62 3HD1 ILE 62 -3.553 -1.331 0.159 493 HD12 ILE 62 2HD1 ILE 62 -4.966 -1.329 1.213 494 HD13 ILE 62 1HD1 ILE 62 -3.609 -2.401 1.561 495 H PHE 63 H PHE 63 0.240 0.517 5.039 496 HA PHE 63 HA PHE 63 2.778 0.484 3.561 497 HB2 PHE 63 HB2 PHE 63 2.075 1.256 6.372 498 HB3 PHE 63 HB3 PHE 63 3.716 0.754 5.982 499 HD1 PHE 63 HD2 PHE 63 3.639 1.989 3.136 500 HD2 PHE 63 HD1 PHE 63 2.681 3.477 7.003 501 HE1 PHE 63 HE2 PHE 63 4.171 4.270 2.386 502 HE2 PHE 63 HE1 PHE 63 3.214 5.762 6.261 503 HZ PHE 63 HZ PHE 63 3.958 6.158 3.950 504 H ALA 64 H ALA 64 2.863 -1.635 2.939 505 HA ALA 64 HA ALA 64 3.025 -3.635 5.077 506 HB1 ALA 64 HB1 ALA 64 3.147 -3.952 2.073 507 HB2 ALA 64 HB2 ALA 64 3.218 -5.270 3.243 508 HB3 ALA 64 HB3 ALA 64 1.755 -4.296 3.101 509 H VAL 65 H VAL 65 4.945 -3.122 6.080 510 HA VAL 65 HA VAL 65 7.311 -2.981 4.349 511 HB VAL 65 HB VAL 65 8.185 -1.107 5.745 512 HG11 VAL 65 2HG1 VAL 65 5.625 -0.557 4.244 513 HG12 VAL 65 1HG1 VAL 65 7.233 -0.707 3.534 514 HG13 VAL 65 3HG1 VAL 65 6.871 0.630 4.627 515 HG21 VAL 65 3HG2 VAL 65 5.350 -1.036 6.776 516 HG22 VAL 65 2HG2 VAL 65 6.549 0.233 7.023 517 HG23 VAL 65 1HG2 VAL 65 6.805 -1.369 7.715 518 H ASP 66 H ASP 66 9.152 -2.347 6.198 519 HA ASP 66 HA ASP 66 9.202 -4.270 8.329 520 HB2 ASP 66 HB2 ASP 66 9.634 -5.780 6.481 521 HB3 ASP 66 HB3 ASP 66 10.838 -4.685 5.813 522 H THR 67 H THR 67 10.856 -2.068 6.175 523 HA THR 67 HA THR 67 12.316 -0.976 8.483 524 HB THR 67 HB THR 67 13.784 -1.861 6.656 525 HG1 THR 67 HG1 THR 67 14.573 -0.191 7.956 526 HG21 THR 67 3HG2 THR 67 12.345 -1.352 4.744 527 HG22 THR 67 1HG2 THR 67 13.941 -0.629 4.549 528 HG23 THR 67 2HG2 THR 67 12.572 0.374 5.026 529 H LYS 68 H LYS 68 12.855 1.542 7.670 530 HA LYS 68 HA LYS 68 10.231 2.740 7.688 531 HB2 LYS 68 HB2 LYS 68 11.332 4.815 8.103 532 HB3 LYS 68 HB3 LYS 68 12.174 3.595 9.049 533 HG2 LYS 68 HG2 LYS 68 13.970 3.515 7.457 534 HG3 LYS 68 HG3 LYS 68 13.091 4.588 6.363 535 HD2 LYS 68 HD2 LYS 68 13.227 6.390 7.991 536 HD3 LYS 68 HD3 LYS 68 14.058 5.322 9.128 537 HE2 LYS 68 HE2 LYS 68 15.079 6.095 6.395 538 HE3 LYS 68 HE3 LYS 68 15.599 6.824 7.916 539 HZ1 LYS 68 HZ1 LYS 68 17.172 5.174 7.275 540 HZ2 LYS 68 HZ2 LYS 68 15.963 4.000 7.069 541 HZ3 LYS 68 HZ3 LYS 68 16.326 4.582 8.621 542 H VAL 69 H VAL 69 9.603 4.444 6.221 543 HA VAL 69 HA VAL 69 10.675 4.047 3.509 544 HB VAL 69 HB VAL 69 8.508 4.698 2.623 545 HG11 VAL 69 2HG1 VAL 69 8.844 2.341 3.059 546 HG12 VAL 69 1HG1 VAL 69 7.163 2.781 3.360 547 HG13 VAL 69 3HG1 VAL 69 8.268 2.542 4.714 548 HG21 VAL 69 3HG2 VAL 69 6.579 5.066 4.052 549 HG22 VAL 69 2HG2 VAL 69 7.848 6.241 4.396 550 HG23 VAL 69 1HG2 VAL 69 7.590 4.878 5.485 551 H ARG 70 H ARG 70 10.710 5.942 2.126 552 HA ARG 70 HA ARG 70 11.363 8.350 3.644 553 HB2 ARG 70 HB2 ARG 70 12.945 7.549 1.924 554 HB3 ARG 70 HB3 ARG 70 11.698 7.749 0.699 555 HG2 ARG 70 HG2 ARG 70 11.626 10.172 1.262 556 HG3 ARG 70 HG3 ARG 70 13.010 9.914 2.324 557 HD2 ARG 70 HD2 ARG 70 14.276 9.045 0.369 558 HD3 ARG 70 HD3 ARG 70 12.901 9.462 -0.656 559 HE ARG 70 HE ARG 70 14.150 11.564 0.956 560 HH11 ARG 70 2HH1 ARG 70 13.458 10.181 -2.198 561 HH12 ARG 70 1HH1 ARG 70 13.999 11.584 -3.065 562 HH21 ARG 70 2HH2 ARG 70 14.854 13.390 -0.168 563 HH22 ARG 70 1HH2 ARG 70 14.804 13.409 -1.912 564 H ASN 71 H ASN 71 9.147 7.186 1.207 565 HA ASN 71 HA ASN 71 8.166 9.711 0.411 566 HB2 ASN 71 HB2 ASN 71 7.256 6.887 -0.040 567 HB3 ASN 71 HB3 ASN 71 6.317 8.257 -0.633 568 HD21 ASN 71 1HD2 ASN 71 6.817 7.256 -2.734 569 HD22 ASN 71 2HD2 ASN 71 8.308 7.671 -3.497 570 H LYS 72 H LYS 72 7.621 8.039 3.241 571 HA LYS 72 HA LYS 72 4.981 8.431 3.903 572 HB2 LYS 72 HB2 LYS 72 5.695 8.644 6.237 573 HB3 LYS 72 HB3 LYS 72 6.548 7.346 5.416 574 HG2 LYS 72 HG2 LYS 72 8.528 8.700 5.223 575 HG3 LYS 72 HG3 LYS 72 7.678 10.099 5.882 576 HD2 LYS 72 HD2 LYS 72 7.349 8.889 7.995 577 HD3 LYS 72 HD3 LYS 72 8.225 7.508 7.333 578 HE2 LYS 72 HE2 LYS 72 9.626 8.912 8.796 579 HE3 LYS 72 HE3 LYS 72 10.240 8.830 7.146 580 HZ1 LYS 72 HZ1 LYS 72 8.522 11.059 8.071 581 HZ2 LYS 72 HZ2 LYS 72 9.526 10.999 6.704 582 HZ3 LYS 72 HZ3 LYS 72 10.206 11.089 8.250 583 H GLU 73 H GLU 73 7.396 10.816 3.354 584 HA GLU 73 HA GLU 73 6.659 13.103 4.613 585 HB2 GLU 73 HB2 GLU 73 7.153 12.964 1.636 586 HB3 GLU 73 HB3 GLU 73 7.427 14.342 2.689 587 HG2 GLU 73 HG2 GLU 73 9.285 13.302 3.713 588 HG3 GLU 73 HG3 GLU 73 8.914 11.750 2.963 589 H ARG 74 H ARG 74 5.141 11.790 1.697 590 HA ARG 74 HA ARG 74 3.279 13.994 1.566 591 HB2 ARG 74 HB2 ARG 74 2.521 12.910 -0.516 592 HB3 ARG 74 HB3 ARG 74 4.253 13.199 -0.493 593 HG2 ARG 74 HG2 ARG 74 4.117 10.664 0.487 594 HG3 ARG 74 HG3 ARG 74 2.754 10.688 -0.635 595 HD2 ARG 74 HD2 ARG 74 4.684 9.957 -1.843 596 HD3 ARG 74 HD3 ARG 74 4.310 11.596 -2.368 597 HE ARG 74 HE ARG 74 6.168 11.779 -0.303 598 HH11 ARG 74 2HH1 ARG 74 6.006 10.592 -3.587 599 HH12 ARG 74 1HH1 ARG 74 7.700 10.790 -3.879 600 HH21 ARG 74 2HH2 ARG 74 8.427 12.060 -0.686 601 HH22 ARG 74 1HH2 ARG 74 9.076 11.613 -2.239 602 H PHE 75 H PHE 75 3.291 10.712 2.681 603 HA PHE 75 HA PHE 75 0.436 10.472 2.764 604 HB2 PHE 75 HB2 PHE 75 2.516 8.772 4.149 605 HB3 PHE 75 HB3 PHE 75 0.844 8.344 3.823 606 HD1 PHE 75 HD2 PHE 75 0.322 8.861 1.121 607 HD2 PHE 75 HD1 PHE 75 3.979 7.577 2.869 608 HE1 PHE 75 HE2 PHE 75 1.000 7.875 -1.028 609 HE2 PHE 75 HE1 PHE 75 4.664 6.590 0.724 610 HZ PHE 75 HZ PHE 75 3.172 6.738 -1.228 611 H ASP 76 H ASP 76 2.674 12.123 4.619 612 HA ASP 76 HA ASP 76 1.686 11.769 7.234 613 HB2 ASP 76 HB2 ASP 76 3.835 12.888 6.725 614 HB3 ASP 76 HB3 ASP 76 2.952 14.236 6.020 615 H GLY 77 H GLY 77 -0.233 12.295 8.053 616 HA2 GLY 77 HA1 GLY 77 -1.994 13.822 8.510 617 HA3 GLY 77 HA2 GLY 77 -1.644 14.640 6.993 618 H LYS 78 H LYS 78 -1.426 11.679 5.987 619 HA LYS 78 HA LYS 78 -4.216 11.559 5.148 620 HB2 LYS 78 HB2 LYS 78 -1.743 10.113 4.185 621 HB3 LYS 78 HB3 LYS 78 -3.358 9.812 3.558 622 HG2 LYS 78 HG2 LYS 78 -3.504 12.140 2.819 623 HG3 LYS 78 HG3 LYS 78 -1.878 12.431 3.437 624 HD2 LYS 78 HD2 LYS 78 -1.935 12.045 0.994 625 HD3 LYS 78 HD3 LYS 78 -0.948 10.863 1.856 626 HE2 LYS 78 HE2 LYS 78 -2.370 9.863 0.097 627 HE3 LYS 78 HE3 LYS 78 -2.687 9.218 1.700 628 HZ1 LYS 78 HZ1 LYS 78 -4.312 11.349 0.403 629 HZ2 LYS 78 HZ2 LYS 78 -4.670 10.534 1.850 630 HZ3 LYS 78 HZ3 LYS 78 -4.710 9.703 0.375 631 H VAL 79 H VAL 79 -5.019 9.189 4.839 632 HA VAL 79 HA VAL 79 -4.977 8.026 7.503 633 HB VAL 79 HB VAL 79 -6.557 7.086 5.108 634 HG11 VAL 79 2HG1 VAL 79 -8.046 6.145 6.821 635 HG12 VAL 79 1HG1 VAL 79 -6.932 6.699 8.071 636 HG13 VAL 79 3HG1 VAL 79 -6.415 5.476 6.910 637 HG21 VAL 79 3HG2 VAL 79 -7.374 9.074 7.224 638 HG22 VAL 79 2HG2 VAL 79 -8.411 8.428 5.954 639 HG23 VAL 79 1HG2 VAL 79 -7.033 9.447 5.534 640 H VAL 80 H VAL 80 -3.656 6.390 8.040 641 HA VAL 80 HA VAL 80 -2.393 4.877 5.846 642 HB VAL 80 HB VAL 80 -1.142 5.705 8.473 643 HG11 VAL 80 2HG1 VAL 80 0.942 4.837 7.509 644 HG12 VAL 80 1HG1 VAL 80 0.042 4.265 6.105 645 HG13 VAL 80 3HG1 VAL 80 -0.275 3.574 7.697 646 HG21 VAL 80 3HG2 VAL 80 -1.414 7.606 6.977 647 HG22 VAL 80 2HG2 VAL 80 -0.647 6.706 5.670 648 HG23 VAL 80 1HG2 VAL 80 0.288 7.155 7.097 649 H LEU 81 H LEU 81 -2.191 2.710 6.036 650 HA LEU 81 HA LEU 81 -2.988 1.423 8.568 651 HB2 LEU 81 HB2 LEU 81 -4.702 1.219 6.735 652 HB3 LEU 81 HB3 LEU 81 -3.507 0.382 5.771 653 HG LEU 81 HG LEU 81 -5.276 -1.021 6.970 654 HD11 LEU 81 2HD1 LEU 81 -3.324 -2.018 5.939 655 HD12 LEU 81 1HD1 LEU 81 -3.703 -2.827 7.461 656 HD13 LEU 81 3HD1 LEU 81 -2.366 -1.678 7.381 657 HD21 LEU 81 3HD2 LEU 81 -5.165 0.098 9.132 658 HD22 LEU 81 2HD2 LEU 81 -3.492 -0.431 9.326 659 HD23 LEU 81 1HD2 LEU 81 -4.793 -1.621 9.280 660 H GLU 82 H GLU 82 -1.278 0.378 9.415 661 HA GLU 82 HA GLU 82 0.945 -0.289 7.607 662 HB2 GLU 82 HB2 GLU 82 0.980 0.399 10.547 663 HB3 GLU 82 HB3 GLU 82 2.392 -0.071 9.610 664 HG2 GLU 82 HG2 GLU 82 2.167 1.882 8.215 665 HG3 GLU 82 HG3 GLU 82 0.678 2.332 9.042 666 H VAL 83 H VAL 83 1.483 -2.327 7.344 667 HA VAL 83 HA VAL 83 1.014 -4.272 9.490 668 HB VAL 83 HB VAL 83 0.291 -5.961 7.765 669 HG11 VAL 83 2HG1 VAL 83 -2.034 -5.226 7.693 670 HG12 VAL 83 1HG1 VAL 83 -1.538 -3.590 8.128 671 HG13 VAL 83 3HG1 VAL 83 -1.319 -4.913 9.275 672 HG21 VAL 83 3HG2 VAL 83 -0.632 -5.144 5.652 673 HG22 VAL 83 2HG2 VAL 83 1.093 -4.791 5.777 674 HG23 VAL 83 1HG2 VAL 83 -0.090 -3.510 6.044 675 HA PRO 84 HA PRO 84 5.061 -5.832 8.368 676 HB2 PRO 84 HB2 PRO 84 3.910 -8.561 8.526 677 HB3 PRO 84 HB3 PRO 84 5.264 -7.860 9.420 678 HG2 PRO 84 HG2 PRO 84 2.925 -8.297 10.623 679 HG3 PRO 84 HG3 PRO 84 3.882 -6.847 10.983 680 HD2 PRO 84 HD2 PRO 84 1.462 -7.133 9.239 681 HD3 PRO 84 HD3 PRO 84 1.871 -5.849 10.396 682 H VAL 85 H VAL 85 6.088 -6.394 6.504 683 HA VAL 85 HA VAL 85 4.658 -6.321 4.105 684 HB VAL 85 HB VAL 85 7.003 -5.613 4.315 685 HG11 VAL 85 2HG1 VAL 85 8.814 -7.250 4.299 686 HG12 VAL 85 1HG1 VAL 85 7.638 -8.559 4.438 687 HG13 VAL 85 3HG1 VAL 85 7.827 -7.397 5.753 688 HG21 VAL 85 3HG2 VAL 85 6.108 -6.045 2.106 689 HG22 VAL 85 2HG2 VAL 85 6.552 -7.747 2.236 690 HG23 VAL 85 1HG2 VAL 85 7.808 -6.510 2.176 691 H SER 86 H SER 86 5.617 -9.045 6.050 692 HA SER 86 HA SER 86 5.312 -11.008 4.003 693 HB2 SER 86 HB2 SER 86 5.284 -11.353 7.004 694 HB3 SER 86 HB3 SER 86 5.541 -12.625 5.807 695 HG SER 86 HG SER 86 7.226 -10.479 6.531 696 H ALA 87 H ALA 87 3.074 -9.288 5.935 697 HA ALA 87 HA ALA 87 1.119 -11.317 6.267 698 HB1 ALA 87 HB1 ALA 87 -0.366 -9.550 6.998 699 HB2 ALA 87 HB2 ALA 87 1.232 -9.351 7.717 700 HB3 ALA 87 HB3 ALA 87 0.740 -8.332 6.364 701 HA PRO 88 HA PRO 88 -1.306 -8.999 2.691 702 HB2 PRO 88 HB2 PRO 88 0.975 -7.988 1.084 703 HB3 PRO 88 HB3 PRO 88 -0.590 -7.238 1.424 704 HG2 PRO 88 HG2 PRO 88 1.598 -6.366 2.634 705 HG3 PRO 88 HG3 PRO 88 0.073 -6.510 3.529 706 HD2 PRO 88 HD2 PRO 88 2.452 -8.329 3.534 707 HD3 PRO 88 HD3 PRO 88 1.453 -7.778 4.896 708 H ILE 89 H ILE 89 1.587 -10.858 2.336 709 HA ILE 89 HA ILE 89 1.248 -11.812 -0.279 710 HB ILE 89 HB ILE 89 2.420 -13.209 2.130 711 HG12 ILE 89 2HG1 ILE 89 3.660 -11.672 -0.163 712 HG13 ILE 89 3HG1 ILE 89 3.604 -11.175 1.525 713 HG21 ILE 89 2HG2 ILE 89 3.473 -14.747 0.554 714 HG22 ILE 89 1HG2 ILE 89 2.637 -13.961 -0.784 715 HG23 ILE 89 3HG2 ILE 89 1.716 -14.836 0.439 716 HD11 ILE 89 3HD1 ILE 89 5.046 -13.057 2.116 717 HD12 ILE 89 2HD1 ILE 89 5.800 -11.995 0.925 718 HD13 ILE 89 1HD1 ILE 89 5.105 -13.534 0.419 719 H LYS 90 H LYS 90 0.120 -13.166 2.812 720 HA LYS 90 HA LYS 90 -1.725 -14.894 1.344 721 HB2 LYS 90 HB2 LYS 90 -0.950 -14.810 4.259 722 HB3 LYS 90 HB3 LYS 90 -2.181 -15.878 3.608 723 HG2 LYS 90 HG2 LYS 90 0.752 -15.878 2.943 724 HG3 LYS 90 HG3 LYS 90 -0.131 -17.092 3.867 725 HD2 LYS 90 HD2 LYS 90 -0.430 -16.451 0.937 726 HD3 LYS 90 HD3 LYS 90 0.239 -17.919 1.645 727 HE2 LYS 90 HE2 LYS 90 -2.622 -16.979 1.826 728 HE3 LYS 90 HE3 LYS 90 -2.019 -18.309 0.844 729 HZ1 LYS 90 HZ1 LYS 90 -2.978 -19.241 2.770 730 HZ2 LYS 90 HZ2 LYS 90 -2.176 -18.167 3.799 731 HZ3 LYS 90 HZ3 LYS 90 -1.299 -19.370 2.984 732 H ASP 91 H ASP 91 -1.670 -12.175 3.557 733 HA ASP 91 HA ASP 91 -4.581 -12.280 3.849 734 HB2 ASP 91 HB2 ASP 91 -2.431 -10.742 5.310 735 HB3 ASP 91 HB3 ASP 91 -4.149 -10.472 5.574 736 H ALA 92 H ALA 92 -3.430 -11.412 1.316 737 HA ALA 92 HA ALA 92 -3.263 -8.663 0.982 738 HB1 ALA 92 HB1 ALA 92 -4.446 -10.642 -0.961 739 HB2 ALA 92 HB2 ALA 92 -3.848 -9.030 -1.353 740 HB3 ALA 92 HB3 ALA 92 -2.731 -10.273 -0.786 741 H GLU 93 H GLU 93 -6.158 -10.718 0.721 742 HA GLU 93 HA GLU 93 -7.965 -8.612 0.187 743 HB2 GLU 93 HB2 GLU 93 -8.533 -11.288 1.484 744 HB3 GLU 93 HB3 GLU 93 -9.712 -10.238 0.714 745 HG2 GLU 93 HG2 GLU 93 -7.400 -11.549 -0.695 746 HG3 GLU 93 HG3 GLU 93 -9.055 -12.155 -0.680 747 H LYS 94 H LYS 94 -6.677 -9.991 3.107 748 HA LYS 94 HA LYS 94 -8.565 -8.899 4.930 749 HB2 LYS 94 HB2 LYS 94 -7.147 -10.838 5.461 750 HB3 LYS 94 HB3 LYS 94 -5.715 -9.829 5.354 751 HG2 LYS 94 HG2 LYS 94 -6.251 -10.203 7.656 752 HG3 LYS 94 HG3 LYS 94 -6.542 -8.509 7.263 753 HD2 LYS 94 HD2 LYS 94 -8.906 -8.866 7.171 754 HD3 LYS 94 HD3 LYS 94 -8.697 -10.615 7.298 755 HE2 LYS 94 HE2 LYS 94 -9.403 -9.647 9.428 756 HE3 LYS 94 HE3 LYS 94 -7.797 -10.361 9.547 757 HZ1 LYS 94 HZ1 LYS 94 -8.437 -7.470 9.295 758 HZ2 LYS 94 HZ2 LYS 94 -6.864 -8.110 9.270 759 HZ3 LYS 94 HZ3 LYS 94 -7.818 -8.257 10.663 760 H VAL 95 H VAL 95 -5.437 -7.881 3.682 761 HA VAL 95 HA VAL 95 -5.162 -5.585 5.339 762 HB VAL 95 HB VAL 95 -3.858 -6.222 2.684 763 HG11 VAL 95 2HG1 VAL 95 -3.710 -3.846 3.211 764 HG12 VAL 95 1HG1 VAL 95 -2.136 -4.627 3.355 765 HG13 VAL 95 3HG1 VAL 95 -3.060 -4.231 4.804 766 HG21 VAL 95 3HG2 VAL 95 -1.964 -6.967 4.061 767 HG22 VAL 95 2HG2 VAL 95 -3.417 -7.929 4.341 768 HG23 VAL 95 1HG2 VAL 95 -2.931 -6.700 5.512 769 H ILE 96 H ILE 96 -6.300 -6.075 2.014 770 HA ILE 96 HA ILE 96 -6.722 -3.352 1.384 771 HB ILE 96 HB ILE 96 -8.090 -5.813 0.270 772 HG12 ILE 96 2HG1 ILE 96 -5.773 -4.199 -0.812 773 HG13 ILE 96 3HG1 ILE 96 -5.602 -5.717 0.062 774 HG21 ILE 96 2HG2 ILE 96 -8.650 -4.418 -1.659 775 HG22 ILE 96 1HG2 ILE 96 -7.962 -3.012 -0.846 776 HG23 ILE 96 3HG2 ILE 96 -9.396 -3.800 -0.185 777 HD11 ILE 96 3HD1 ILE 96 -6.892 -6.845 -1.698 778 HD12 ILE 96 2HD1 ILE 96 -5.420 -6.088 -2.309 779 HD13 ILE 96 1HD1 ILE 96 -6.983 -5.320 -2.579 780 H ASN 97 H ASN 97 -8.909 -5.833 2.704 781 HA ASN 97 HA ASN 97 -11.174 -4.132 2.817 782 HB2 ASN 97 HB2 ASN 97 -10.482 -6.758 4.072 783 HB3 ASN 97 HB3 ASN 97 -11.887 -5.869 4.652 784 HD21 ASN 97 1HD2 ASN 97 -10.516 -7.683 2.049 785 HD22 ASN 97 2HD2 ASN 97 -11.960 -7.802 1.102 786 H ALA 98 H ALA 98 -8.617 -4.880 5.140 787 HA ALA 98 HA ALA 98 -9.748 -3.567 7.355 788 HB1 ALA 98 HB1 ALA 98 -6.828 -3.946 6.703 789 HB2 ALA 98 HB2 ALA 98 -7.497 -3.556 8.287 790 HB3 ALA 98 HB3 ALA 98 -7.854 -5.112 7.536 791 H ALA 99 H ALA 99 -7.609 -2.418 4.777 792 HA ALA 99 HA ALA 99 -7.208 0.182 5.758 793 HB1 ALA 99 HB1 ALA 99 -6.532 0.752 3.491 794 HB2 ALA 99 HB2 ALA 99 -5.858 -0.806 3.970 795 HB3 ALA 99 HB3 ALA 99 -7.250 -0.743 2.889 796 H LEU 100 H LEU 100 -9.742 -1.182 3.717 797 HA LEU 100 HA LEU 100 -11.043 1.329 3.284 798 HB2 LEU 100 HB2 LEU 100 -12.038 -1.499 2.931 799 HB3 LEU 100 HB3 LEU 100 -12.904 -0.065 2.411 800 HG LEU 100 HG LEU 100 -10.205 -0.946 1.377 801 HD11 LEU 100 2HD1 LEU 100 -12.925 -1.027 0.080 802 HD12 LEU 100 1HD1 LEU 100 -12.001 -2.420 0.644 803 HD13 LEU 100 3HD1 LEU 100 -11.395 -1.443 -0.692 804 HD21 LEU 100 3HD2 LEU 100 -12.005 1.312 0.500 805 HD22 LEU 100 2HD2 LEU 100 -10.494 0.830 -0.270 806 HD23 LEU 100 1HD2 LEU 100 -10.479 1.484 1.369 807 H ALA 101 H ALA 101 -11.222 -1.173 5.697 808 HA ALA 101 HA ALA 101 -13.795 -0.576 6.700 809 HB1 ALA 101 HB1 ALA 101 -11.500 -1.881 8.149 810 HB2 ALA 101 HB2 ALA 101 -13.207 -1.967 8.584 811 HB3 ALA 101 HB3 ALA 101 -12.639 -2.709 7.088 812 H LEU 102 H LEU 102 -10.587 0.653 7.542 813 HA LEU 102 HA LEU 102 -11.502 1.926 9.909 814 HB2 LEU 102 HB2 LEU 102 -9.255 3.045 9.882 815 HB3 LEU 102 HB3 LEU 102 -9.266 1.296 9.954 816 HG LEU 102 HG LEU 102 -8.855 1.290 7.473 817 HD11 LEU 102 2HD1 LEU 102 -9.648 3.631 7.174 818 HD12 LEU 102 1HD1 LEU 102 -8.100 3.265 6.403 819 HD13 LEU 102 3HD1 LEU 102 -8.143 4.172 7.916 820 HD21 LEU 102 3HD2 LEU 102 -6.468 1.767 7.711 821 HD22 LEU 102 2HD2 LEU 102 -7.082 0.866 9.094 822 HD23 LEU 102 1HD2 LEU 102 -6.784 2.598 9.235 823 H ILE 103 H ILE 103 -11.951 2.764 6.716 824 HA ILE 103 HA ILE 103 -12.511 5.535 7.539 825 HB ILE 103 HB ILE 103 -12.668 6.068 5.090 826 HG12 ILE 103 2HG1 ILE 103 -11.313 3.383 4.767 827 HG13 ILE 103 3HG1 ILE 103 -12.966 3.745 4.285 828 HG21 ILE 103 2HG2 ILE 103 -10.728 6.693 6.384 829 HG22 ILE 103 1HG2 ILE 103 -10.232 6.190 4.768 830 HG23 ILE 103 3HG2 ILE 103 -10.013 5.100 6.137 831 HD11 ILE 103 3HD1 ILE 103 -12.141 5.376 2.672 832 HD12 ILE 103 2HD1 ILE 103 -11.458 3.775 2.384 833 HD13 ILE 103 1HD1 ILE 103 -10.485 5.023 3.163 834 H ASP 104 H ASP 104 -13.811 2.632 6.091 835 HA ASP 104 HA ASP 104 -16.493 3.471 6.780 836 HB2 ASP 104 HB2 ASP 104 -16.421 4.390 4.566 837 HB3 ASP 104 HB3 ASP 104 -15.662 2.943 3.919 838 H GLU 105 H GLU 105 -15.374 1.074 4.463 839 HA GLU 105 HA GLU 105 -15.102 -1.152 6.073 840 HB2 GLU 105 HB2 GLU 105 -17.512 -0.811 6.612 841 HB3 GLU 105 HB3 GLU 105 -17.892 -0.965 4.902 842 HG2 GLU 105 HG2 GLU 105 -17.209 -3.243 4.873 843 HG3 GLU 105 HG3 GLU 105 -16.541 -3.121 6.500 844 H LYS 106 H LYS 106 -16.572 -0.015 3.079 845 HA LYS 106 HA LYS 106 -14.477 -1.082 1.492 846 HB2 LYS 106 HB2 LYS 106 -15.905 -3.145 1.959 847 HB3 LYS 106 HB3 LYS 106 -17.176 -2.372 1.023 848 HG2 LYS 106 HG2 LYS 106 -15.852 -2.412 -0.956 849 HG3 LYS 106 HG3 LYS 106 -14.425 -2.924 -0.058 850 HD2 LYS 106 HD2 LYS 106 -15.110 -4.922 -0.967 851 HD3 LYS 106 HD3 LYS 106 -15.925 -4.966 0.595 852 HE2 LYS 106 HE2 LYS 106 -17.208 -4.011 -1.962 853 HE3 LYS 106 HE3 LYS 106 -17.336 -5.657 -1.352 854 HZ1 LYS 106 HZ1 LYS 106 -18.315 -4.666 0.709 855 HZ2 LYS 106 HZ2 LYS 106 -19.265 -4.505 -0.687 856 HZ3 LYS 106 HZ3 LYS 106 -18.386 -3.177 -0.109
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