NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14130 | 1wfn | 10075 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 17.600 -6.099 12.835 2 HA2 GLY 1 1HA GLY 1 19.597 -4.886 12.244 3 HA3 GLY 1 2HA GLY 1 20.341 -6.400 11.769 4 H SER 2 H SER 2 20.219 -7.032 9.643 5 HA SER 2 HA SER 2 17.991 -6.077 8.089 6 HB2 SER 2 1HB SER 2 20.794 -5.109 7.792 7 HB3 SER 2 2HB SER 2 20.023 -5.595 6.295 8 HG SER 2 HG SER 2 18.274 -4.127 6.751 9 H SER 3 H SER 3 17.369 -8.313 7.971 10 HA SER 3 HA SER 3 19.274 -9.953 6.490 11 HB2 SER 3 1HB SER 3 17.696 -10.482 8.886 12 HB3 SER 3 2HB SER 3 17.281 -11.630 7.629 13 HG SER 3 HG SER 3 20.005 -11.036 8.410 14 H GLY 4 H GLY 4 18.021 -11.768 5.171 15 HA2 GLY 4 1HA GLY 4 15.834 -10.399 3.739 16 HA3 GLY 4 2HA GLY 4 16.936 -11.580 3.060 17 H SER 5 H SER 5 15.264 -13.002 2.350 18 HA SER 5 HA SER 5 14.557 -14.946 4.163 19 HB2 SER 5 1HB SER 5 12.173 -14.625 4.476 20 HB3 SER 5 2HB SER 5 12.994 -13.179 5.030 21 HG SER 5 HG SER 5 12.471 -12.151 2.996 22 H SER 6 H SER 6 14.864 -16.575 2.678 23 HA SER 6 HA SER 6 14.651 -17.806 0.905 24 HB2 SER 6 1HB SER 6 12.065 -16.283 0.358 25 HB3 SER 6 2HB SER 6 12.502 -17.838 -0.323 26 HG SER 6 HG SER 6 12.602 -17.687 2.499 27 H GLY 7 H GLY 7 14.675 -17.799 -1.585 28 HA2 GLY 7 1HA GLY 7 16.103 -15.442 -2.473 29 HA3 GLY 7 2HA GLY 7 15.887 -16.955 -3.330 30 HA PRO 8 HA PRO 8 12.832 -13.710 -4.733 31 HB2 PRO 8 1HB PRO 8 14.162 -12.421 -6.743 32 HB3 PRO 8 2HB PRO 8 14.018 -11.774 -5.121 33 HG2 PRO 8 1HG PRO 8 16.363 -13.022 -6.417 34 HG3 PRO 8 2HG PRO 8 16.309 -12.006 -4.991 35 HD2 PRO 8 1HD PRO 8 16.627 -14.855 -5.056 36 HD3 PRO 8 2HD PRO 8 16.456 -13.853 -3.630 37 H GLN 9 H GLN 9 11.280 -14.766 -5.778 38 HA GLN 9 HA GLN 9 12.247 -16.211 -8.123 39 HB2 GLN 9 1HB GLN 9 11.292 -17.507 -6.053 40 HB3 GLN 9 2HB GLN 9 9.726 -16.943 -6.602 41 HG2 GLN 9 1HG GLN 9 9.720 -18.319 -8.450 42 HG3 GLN 9 2HG GLN 9 11.433 -18.104 -8.750 43 HE21 GLN 9 1HE2 GLN 9 12.592 -19.845 -8.532 44 HE22 GLN 9 2HE2 GLN 9 12.322 -21.167 -7.446 45 H LEU 10 H LEU 10 11.922 -14.019 -9.191 46 HA LEU 10 HA LEU 10 9.393 -14.015 -10.485 47 HB2 LEU 10 1HB LEU 10 9.531 -12.546 -8.101 48 HB3 LEU 10 2HB LEU 10 9.680 -11.359 -9.381 49 HG LEU 10 HG LEU 10 7.567 -13.086 -10.146 50 HD11 LEU 10 1HD1 LEU 10 7.474 -12.336 -7.219 51 HD12 LEU 10 2HD1 LEU 10 6.019 -12.700 -8.179 52 HD13 LEU 10 3HD1 LEU 10 7.276 -13.942 -7.960 53 HD21 LEU 10 1HD2 LEU 10 7.143 -11.009 -10.874 54 HD22 LEU 10 2HD2 LEU 10 6.337 -10.799 -9.300 55 HD23 LEU 10 3HD2 LEU 10 8.014 -10.244 -9.523 56 H VAL 11 H VAL 11 9.430 -12.704 -12.402 57 HA VAL 11 HA VAL 11 11.766 -12.616 -13.744 58 HB VAL 11 HB VAL 11 9.466 -12.298 -14.627 59 HG11 VAL 11 1HG1 VAL 11 8.369 -10.191 -14.605 60 HG12 VAL 11 2HG1 VAL 11 8.868 -10.504 -12.926 61 HG13 VAL 11 3HG1 VAL 11 9.797 -9.368 -13.933 62 HG21 VAL 11 1HG2 VAL 11 10.409 -11.623 -16.539 63 HG22 VAL 11 2HG2 VAL 11 10.742 -10.002 -15.883 64 HG23 VAL 11 3HG2 VAL 11 11.898 -11.327 -15.610 65 H ARG 12 H ARG 12 13.626 -11.443 -13.713 66 HA ARG 12 HA ARG 12 13.548 -9.055 -12.050 67 HB2 ARG 12 1HB ARG 12 14.990 -10.902 -11.162 68 HB3 ARG 12 2HB ARG 12 15.902 -10.915 -12.659 69 HG2 ARG 12 1HG ARG 12 16.620 -8.564 -12.265 70 HG3 ARG 12 2HG ARG 12 15.668 -8.504 -10.796 71 HD2 ARG 12 1HD ARG 12 17.530 -9.235 -9.707 72 HD3 ARG 12 2HD ARG 12 17.219 -10.804 -10.422 73 HE ARG 12 HE ARG 12 18.605 -9.231 -12.356 74 HH11 ARG 12 2HH2 ARG 12 19.184 -10.731 -9.225 75 HH12 ARG 12 1HH2 ARG 12 20.883 -10.935 -9.495 76 HH21 ARG 12 2HH1 ARG 12 20.846 -9.501 -12.712 77 HH22 ARG 12 1HH1 ARG 12 21.834 -10.231 -11.492 78 H THR 13 H THR 13 15.463 -10.570 -14.761 79 HA THR 13 HA THR 13 16.559 -9.626 -16.473 80 HB THR 13 HB THR 13 15.011 -8.349 -17.958 81 HG1 THR 13 1HG THR 13 13.571 -7.099 -16.840 82 HG21 THR 13 1HG2 THR 13 14.369 -10.887 -16.743 83 HG22 THR 13 2HG2 THR 13 12.861 -9.950 -16.871 84 HG23 THR 13 3HG2 THR 13 13.835 -10.271 -18.326 85 H HIS 14 H HIS 14 16.621 -7.115 -17.666 86 HA HIS 14 HA HIS 14 18.284 -5.782 -15.772 87 HB2 HIS 14 1HB HIS 14 18.877 -4.342 -17.596 88 HB3 HIS 14 2HB HIS 14 18.856 -5.999 -18.164 89 HD1 HIS 14 1HD HIS 14 16.596 -6.710 -19.552 90 HD2 HIS 14 2HD HIS 14 17.322 -2.607 -19.062 91 HE1 HIS 14 1HE HIS 14 15.163 -5.517 -21.294 92 H GLU 15 H GLU 15 17.592 -4.353 -14.269 93 HA GLU 15 HA GLU 15 15.603 -2.448 -15.025 94 HB2 GLU 15 1HB GLU 15 15.026 -4.689 -13.105 95 HB3 GLU 15 2HB GLU 15 14.397 -3.103 -12.704 96 HG2 GLU 15 1HG GLU 15 13.859 -3.476 -15.485 97 HG3 GLU 15 2HG GLU 15 13.448 -4.993 -14.710 98 H ASP 16 H ASP 16 15.812 -0.515 -13.839 99 HA ASP 16 HA ASP 16 18.153 -0.449 -12.183 100 HB2 ASP 16 1HB ASP 16 17.463 1.272 -14.016 101 HB3 ASP 16 2HB ASP 16 16.297 1.871 -12.852 102 H VAL 17 H VAL 17 14.767 0.919 -12.019 103 HA VAL 17 HA VAL 17 14.671 1.641 -9.428 104 HB VAL 17 HB VAL 17 12.197 0.863 -9.626 105 HG11 VAL 17 1HG1 VAL 17 12.707 3.162 -9.826 106 HG12 VAL 17 2HG1 VAL 17 13.549 2.928 -11.377 107 HG13 VAL 17 3HG1 VAL 17 11.779 2.760 -11.291 108 HG21 VAL 17 1HG2 VAL 17 11.389 0.243 -11.750 109 HG22 VAL 17 2HG2 VAL 17 12.919 0.667 -12.555 110 HG23 VAL 17 3HG2 VAL 17 12.833 -0.769 -11.507 111 HA PRO 18 HA PRO 18 14.767 -1.906 -6.961 112 HB2 PRO 18 1HB PRO 18 13.019 -1.361 -4.932 113 HB3 PRO 18 2HB PRO 18 14.638 -0.693 -5.008 114 HG2 PRO 18 1HG PRO 18 12.056 0.637 -5.560 115 HG3 PRO 18 2HG PRO 18 13.614 1.363 -5.216 116 HD2 PRO 18 1HD PRO 18 12.351 1.144 -7.782 117 HD3 PRO 18 2HD PRO 18 13.957 1.764 -7.454 118 H GLY 19 H GLY 19 13.318 -3.581 -5.612 119 HA2 GLY 19 1HA GLY 19 11.355 -4.463 -7.628 120 HA3 GLY 19 2HA GLY 19 12.228 -5.491 -6.509 121 HA PRO 20 HA PRO 20 8.248 -4.807 -4.534 122 HB2 PRO 20 1HB PRO 20 7.822 -7.390 -3.752 123 HB3 PRO 20 2HB PRO 20 7.231 -6.738 -5.267 124 HG2 PRO 20 1HG PRO 20 9.507 -8.565 -4.799 125 HG3 PRO 20 2HG PRO 20 8.646 -8.243 -6.291 126 HD2 PRO 20 1HD PRO 20 11.228 -7.237 -5.549 127 HD3 PRO 20 2HD PRO 20 10.316 -6.825 -6.987 128 H VAL 21 H VAL 21 7.893 -4.099 -2.504 129 HA VAL 21 HA VAL 21 10.051 -4.046 -0.772 130 HB VAL 21 HB VAL 21 8.177 -3.499 0.922 131 HG11 VAL 21 1HG1 VAL 21 8.243 -1.283 0.260 132 HG12 VAL 21 2HG1 VAL 21 9.648 -1.948 -0.607 133 HG13 VAL 21 3HG1 VAL 21 8.114 -1.680 -1.470 134 HG21 VAL 21 1HG2 VAL 21 6.028 -3.648 0.321 135 HG22 VAL 21 2HG2 VAL 21 6.329 -2.817 -1.224 136 HG23 VAL 21 3HG2 VAL 21 6.575 -4.575 -1.097 137 H GLY 22 H GLY 22 9.852 -4.935 1.614 138 HA2 GLY 22 1HA GLY 22 10.401 -7.554 1.721 139 HA3 GLY 22 2HA GLY 22 9.628 -6.689 3.035 140 H HIS 23 H HIS 23 7.248 -6.668 3.184 141 HA HIS 23 HA HIS 23 5.763 -8.301 1.392 142 HB2 HIS 23 1HB HIS 23 5.179 -10.090 2.849 143 HB3 HIS 23 2HB HIS 23 6.928 -10.017 2.770 144 HD1 HIS 23 1HD HIS 23 4.346 -10.496 5.158 145 HD2 HIS 23 2HD HIS 23 7.919 -8.299 5.150 146 HE1 HIS 23 1HE HIS 23 4.935 -10.080 7.605 147 H LEU 24 H LEU 24 3.600 -7.720 1.454 148 HA LEU 24 HA LEU 24 2.935 -5.393 2.849 149 HB2 LEU 24 1HB LEU 24 1.634 -7.306 1.035 150 HB3 LEU 24 2HB LEU 24 0.537 -6.497 2.136 151 HG LEU 24 HG LEU 24 1.014 -5.481 -0.209 152 HD11 LEU 24 1HD1 LEU 24 1.100 -3.106 1.099 153 HD12 LEU 24 2HD1 LEU 24 -0.363 -4.104 0.917 154 HD13 LEU 24 3HD1 LEU 24 0.594 -4.191 2.416 155 HD21 LEU 24 1HD2 LEU 24 2.936 -4.350 -0.623 156 HD22 LEU 24 2HD2 LEU 24 3.203 -3.941 1.089 157 HD23 LEU 24 3HD2 LEU 24 3.594 -5.571 0.492 158 H SER 25 H SER 25 1.708 -5.003 4.713 159 HA SER 25 HA SER 25 0.860 -7.344 6.182 160 HB2 SER 25 1HB SER 25 2.560 -5.179 7.489 161 HB3 SER 25 2HB SER 25 1.982 -6.656 8.234 162 HG SER 25 HG SER 25 3.953 -7.338 7.650 163 H PHE 26 H PHE 26 -1.118 -6.983 7.178 164 HA PHE 26 HA PHE 26 -1.953 -4.175 7.386 165 HB2 PHE 26 1HB PHE 26 -3.577 -6.715 6.758 166 HB3 PHE 26 2HB PHE 26 -4.243 -5.095 6.825 167 HD1 PHE 26 1HD PHE 26 -1.883 -3.739 5.381 168 HD2 PHE 26 2HD PHE 26 -4.185 -7.196 4.509 169 HE1 PHE 26 1HE PHE 26 -1.405 -3.440 2.934 170 HE2 PHE 26 2HE PHE 26 -3.707 -6.897 2.063 171 HZ PHE 26 HZ PHE 26 -2.323 -5.023 1.305 172 H SER 27 H SER 27 -2.725 -3.522 9.360 173 HA SER 27 HA SER 27 -3.623 -5.585 11.173 174 HB2 SER 27 1HB SER 27 -2.242 -4.632 13.032 175 HB3 SER 27 2HB SER 27 -1.272 -5.362 11.768 176 HG SER 27 HG SER 27 -1.827 -2.528 12.030 177 H GLU 28 H GLU 28 -4.383 -4.305 13.358 178 HA GLU 28 HA GLU 28 -6.086 -3.108 14.059 179 HB2 GLU 28 1HB GLU 28 -4.231 -0.992 12.902 180 HB3 GLU 28 2HB GLU 28 -5.644 -0.567 13.849 181 HG2 GLU 28 1HG GLU 28 -3.731 -2.622 14.967 182 HG3 GLU 28 2HG GLU 28 -3.259 -0.935 15.010 183 H ILE 29 H ILE 29 -6.808 -4.303 11.638 184 HA ILE 29 HA ILE 29 -7.810 -2.358 9.814 185 HB ILE 29 HB ILE 29 -8.550 -5.272 10.051 186 HG12 ILE 29 1HG1 ILE 29 -6.028 -3.977 9.151 187 HG13 ILE 29 2HG1 ILE 29 -6.292 -5.546 9.886 188 HG21 ILE 29 1HG2 ILE 29 -9.817 -3.567 8.533 189 HG22 ILE 29 2HG2 ILE 29 -8.373 -3.699 7.501 190 HG23 ILE 29 3HG2 ILE 29 -9.330 -5.150 7.883 191 HD11 ILE 29 1HD1 ILE 29 -5.768 -6.165 7.693 192 HD12 ILE 29 2HD1 ILE 29 -7.544 -6.089 7.603 193 HD13 ILE 29 3HD1 ILE 29 -6.564 -4.736 6.991 194 H LEU 30 H LEU 30 -10.048 -1.840 9.402 195 HA LEU 30 HA LEU 30 -11.832 -2.469 11.637 196 HB2 LEU 30 1HB LEU 30 -11.556 0.285 10.436 197 HB3 LEU 30 2HB LEU 30 -12.579 -0.197 11.775 198 HG LEU 30 HG LEU 30 -9.602 -0.540 11.991 199 HD11 LEU 30 1HD1 LEU 30 -11.127 2.054 12.174 200 HD12 LEU 30 2HD1 LEU 30 -9.624 1.783 13.088 201 HD13 LEU 30 3HD1 LEU 30 -9.612 1.696 11.310 202 HD21 LEU 30 1HD2 LEU 30 -10.329 -1.374 13.935 203 HD22 LEU 30 2HD2 LEU 30 -10.571 0.325 14.407 204 HD23 LEU 30 3HD2 LEU 30 -11.935 -0.625 13.770 205 H ASP 31 H ASP 31 -13.622 -0.348 10.110 206 HA ASP 31 HA ASP 31 -14.592 -2.351 8.248 207 HB2 ASP 31 1HB ASP 31 -16.607 -0.582 8.282 208 HB3 ASP 31 2HB ASP 31 -16.438 -1.799 9.532 209 H THR 32 H THR 32 -13.218 0.888 8.600 210 HA THR 32 HA THR 32 -13.051 1.144 5.721 211 HB THR 32 HB THR 32 -14.194 3.301 5.656 212 HG1 THR 32 1HG THR 32 -14.596 2.814 8.519 213 HG21 THR 32 1HG2 THR 32 -15.774 1.328 5.693 214 HG22 THR 32 2HG2 THR 32 -15.832 1.450 7.468 215 HG23 THR 32 3HG2 THR 32 -16.475 2.772 6.463 216 H SER 33 H SER 33 -11.238 0.614 8.020 217 HA SER 33 HA SER 33 -9.297 2.516 7.246 218 HB2 SER 33 1HB SER 33 -8.951 2.944 9.922 219 HB3 SER 33 2HB SER 33 -9.805 4.047 8.861 220 HG SER 33 HG SER 33 -11.057 3.535 10.761 221 H LEU 34 H LEU 34 -7.326 1.462 7.277 222 HA LEU 34 HA LEU 34 -6.842 -0.546 9.297 223 HB2 LEU 34 1HB LEU 34 -6.456 -2.353 7.829 224 HB3 LEU 34 2HB LEU 34 -8.066 -1.739 7.509 225 HG LEU 34 HG LEU 34 -7.121 -0.494 5.531 226 HD11 LEU 34 1HD1 LEU 34 -4.911 -0.275 5.413 227 HD12 LEU 34 2HD1 LEU 34 -4.641 -1.547 6.628 228 HD13 LEU 34 3HD1 LEU 34 -4.855 -1.983 4.916 229 HD21 LEU 34 1HD2 LEU 34 -6.549 -3.385 5.076 230 HD22 LEU 34 2HD2 LEU 34 -8.169 -2.933 5.656 231 HD23 LEU 34 3HD2 LEU 34 -7.543 -2.246 4.138 232 H LYS 35 H LYS 35 -4.561 -1.093 9.462 233 HA LYS 35 HA LYS 35 -2.927 1.060 8.366 234 HB2 LYS 35 1HB LYS 35 -2.795 0.914 10.733 235 HB3 LYS 35 2HB LYS 35 -2.602 -0.827 10.704 236 HG2 LYS 35 1HG LYS 35 -0.352 -0.660 10.430 237 HG3 LYS 35 2HG LYS 35 -0.531 0.436 9.075 238 HD2 LYS 35 1HD LYS 35 -1.237 1.857 11.500 239 HD3 LYS 35 2HD LYS 35 0.301 1.056 11.756 240 HE2 LYS 35 1HE LYS 35 1.245 2.102 9.736 241 HE3 LYS 35 2HE LYS 35 -0.312 2.784 9.312 242 HZ1 LYS 35 1HZ LYS 35 0.026 4.447 10.701 243 HZ2 LYS 35 2HZ LYS 35 0.442 3.475 11.945 244 HZ3 LYS 35 3HZ LYS 35 1.573 3.949 10.866 245 H VAL 36 H VAL 36 -1.108 0.694 7.075 246 HA VAL 36 HA VAL 36 -0.840 -2.083 6.148 247 HB VAL 36 HB VAL 36 -0.712 0.537 4.657 248 HG11 VAL 36 1HG1 VAL 36 1.202 -0.947 4.027 249 HG12 VAL 36 2HG1 VAL 36 0.023 -2.195 3.557 250 HG13 VAL 36 3HG1 VAL 36 0.060 -0.637 2.697 251 HG21 VAL 36 1HG2 VAL 36 -2.683 -0.037 3.715 252 HG22 VAL 36 2HG2 VAL 36 -2.248 -1.759 3.601 253 HG23 VAL 36 3HG2 VAL 36 -2.847 -1.091 5.139 254 H SER 37 H SER 37 1.181 -2.985 6.245 255 HA SER 37 HA SER 37 3.371 -1.140 6.746 256 HB2 SER 37 1HB SER 37 3.432 -1.881 8.891 257 HB3 SER 37 2HB SER 37 2.301 -3.178 8.560 258 HG SER 37 HG SER 37 5.143 -3.190 8.506 259 H TRP 38 H TRP 38 5.541 -2.114 6.216 260 HA TRP 38 HA TRP 38 5.537 -4.595 4.767 261 HB2 TRP 38 1HB TRP 38 6.368 -3.623 2.667 262 HB3 TRP 38 2HB TRP 38 4.693 -3.232 3.002 263 HD1 TRP 38 HD TRP 38 8.150 -1.541 2.787 264 HE1 TRP 38 1HE TRP 38 7.923 1.083 2.626 265 HE3 TRP 38 3HE TRP 38 3.141 -1.395 3.650 266 HZ2 TRP 38 2HZ TRP 38 5.724 2.885 2.872 267 HZ3 TRP 38 3HZ TRP 38 2.031 0.837 3.673 268 HH2 TRP 38 HH TRP 38 3.240 2.929 3.302 269 H GLN 39 H GLN 39 8.020 -4.316 3.499 270 HA GLN 39 HA GLN 39 9.746 -3.246 5.574 271 HB2 GLN 39 1HB GLN 39 9.368 -6.074 4.907 272 HB3 GLN 39 2HB GLN 39 11.038 -5.592 4.678 273 HG2 GLN 39 1HG GLN 39 9.727 -4.600 7.183 274 HG3 GLN 39 2HG GLN 39 9.997 -6.330 7.097 275 HE21 GLN 39 1HE2 GLN 39 11.277 -4.994 8.997 276 HE22 GLN 39 2HE2 GLN 39 12.971 -4.832 8.674 277 H GLU 40 H GLU 40 12.224 -3.662 4.621 278 HA GLU 40 HA GLU 40 12.175 -2.135 2.216 279 HB2 GLU 40 1HB GLU 40 14.057 -2.700 4.374 280 HB3 GLU 40 2HB GLU 40 14.847 -2.876 2.819 281 HG2 GLU 40 1HG GLU 40 14.328 -0.627 2.166 282 HG3 GLU 40 2HG GLU 40 13.105 -0.455 3.409 283 HA PRO 41 HA PRO 41 12.713 -5.557 -0.421 284 HB2 PRO 41 1HB PRO 41 13.283 -4.236 -2.744 285 HB3 PRO 41 2HB PRO 41 11.651 -4.474 -2.153 286 HG2 PRO 41 1HG PRO 41 13.292 -2.016 -2.124 287 HG3 PRO 41 2HG PRO 41 11.557 -2.180 -1.941 288 HD2 PRO 41 1HD PRO 41 13.464 -1.693 0.145 289 HD3 PRO 41 2HD PRO 41 11.745 -1.972 0.340 290 H GLY 42 H GLY 42 14.235 -6.928 -1.411 291 HA2 GLY 42 1HA GLY 42 16.894 -6.386 -0.452 292 HA3 GLY 42 2HA GLY 42 16.329 -7.803 -1.314 293 H GLU 43 H GLU 43 15.108 -5.450 -3.229 294 HA GLU 43 HA GLU 43 17.545 -5.394 -4.822 295 HB2 GLU 43 1HB GLU 43 14.621 -5.576 -5.492 296 HB3 GLU 43 2HB GLU 43 15.650 -4.724 -6.625 297 HG2 GLU 43 1HG GLU 43 16.308 -7.513 -5.577 298 HG3 GLU 43 2HG GLU 43 15.371 -7.246 -7.034 299 H LYS 44 H LYS 44 17.293 -3.551 -2.673 300 HA LYS 44 HA LYS 44 16.085 -1.191 -3.035 301 HB2 LYS 44 1HB LYS 44 18.925 -1.692 -2.099 302 HB3 LYS 44 2HB LYS 44 18.074 -0.174 -1.896 303 HG2 LYS 44 1HG LYS 44 16.184 -1.669 -0.801 304 HG3 LYS 44 2HG LYS 44 17.454 -2.866 -0.643 305 HD2 LYS 44 1HD LYS 44 18.814 -1.377 0.713 306 HD3 LYS 44 2HD LYS 44 17.787 -0.004 0.353 307 HE2 LYS 44 1HE LYS 44 16.521 -0.488 2.169 308 HE3 LYS 44 2HE LYS 44 16.064 -2.013 1.436 309 HZ1 LYS 44 1HZ LYS 44 17.965 -1.506 3.493 310 HZ2 LYS 44 2HZ LYS 44 17.164 -2.883 3.134 311 HZ3 LYS 44 3HZ LYS 44 18.537 -2.505 2.334 312 H ASN 45 H ASN 45 18.853 -2.476 -4.896 313 HA ASN 45 HA ASN 45 20.019 -1.625 -6.546 314 HB2 ASN 45 1HB ASN 45 17.117 -1.237 -7.244 315 HB3 ASN 45 2HB ASN 45 18.271 -0.451 -8.303 316 HD21 ASN 45 1HD2 ASN 45 16.550 -3.189 -7.788 317 HD22 ASN 45 2HD2 ASN 45 17.482 -4.352 -8.672 318 H GLY 46 H GLY 46 20.443 0.133 -4.540 319 HA2 GLY 46 1HA GLY 46 21.460 2.340 -5.047 320 HA3 GLY 46 2HA GLY 46 19.890 2.815 -5.664 321 H ILE 47 H ILE 47 19.944 4.569 -4.038 322 HA ILE 47 HA ILE 47 19.472 3.589 -1.315 323 HB ILE 47 HB ILE 47 20.534 6.160 -2.437 324 HG12 ILE 47 1HG1 ILE 47 22.209 4.523 -1.989 325 HG13 ILE 47 2HG1 ILE 47 22.301 5.732 -0.723 326 HG21 ILE 47 1HG2 ILE 47 18.817 5.861 -0.096 327 HG22 ILE 47 2HG2 ILE 47 20.407 6.556 0.299 328 HG23 ILE 47 3HG2 ILE 47 19.379 7.328 -0.932 329 HD11 ILE 47 1HD1 ILE 47 21.343 2.883 -0.569 330 HD12 ILE 47 2HD1 ILE 47 22.356 3.801 0.571 331 HD13 ILE 47 3HD1 ILE 47 20.598 4.076 0.523 332 H LEU 48 H LEU 48 17.313 3.082 -1.215 333 HA LEU 48 HA LEU 48 15.265 4.077 -2.628 334 HB2 LEU 48 1HB LEU 48 15.201 3.442 0.325 335 HB3 LEU 48 2HB LEU 48 13.823 3.476 -0.757 336 HG LEU 48 HG LEU 48 16.160 1.553 -0.932 337 HD11 LEU 48 1HD1 LEU 48 13.333 0.773 -0.284 338 HD12 LEU 48 2HD1 LEU 48 14.857 -0.081 0.058 339 HD13 LEU 48 3HD1 LEU 48 14.419 1.369 0.993 340 HD21 LEU 48 1HD2 LEU 48 13.637 1.754 -2.597 341 HD22 LEU 48 2HD2 LEU 48 15.315 1.983 -3.145 342 HD23 LEU 48 3HD2 LEU 48 14.763 0.375 -2.616 343 H THR 49 H THR 49 14.014 5.916 -2.755 344 HA THR 49 HA THR 49 14.927 8.147 -1.068 345 HB THR 49 HB THR 49 13.798 9.446 -3.051 346 HG1 THR 49 1HG THR 49 13.079 8.064 -4.635 347 HG21 THR 49 1HG2 THR 49 15.814 8.356 -4.627 348 HG22 THR 49 2HG2 THR 49 16.057 9.671 -3.452 349 HG23 THR 49 3HG2 THR 49 16.391 7.986 -2.984 350 H GLY 50 H GLY 50 12.377 5.908 -1.531 351 HA2 GLY 50 1HA GLY 50 10.841 6.731 0.559 352 HA3 GLY 50 2HA GLY 50 10.223 7.665 -0.790 353 H TYR 51 H TYR 51 8.263 6.220 -0.068 354 HA TYR 51 HA TYR 51 8.284 3.885 -1.838 355 HB2 TYR 51 1HB TYR 51 7.367 4.204 1.082 356 HB3 TYR 51 2HB TYR 51 6.815 2.867 0.093 357 HD1 TYR 51 2HD TYR 51 8.624 1.312 -0.925 358 HD2 TYR 51 1HD TYR 51 9.392 4.052 2.270 359 HE1 TYR 51 2HE TYR 51 10.696 -0.012 -0.278 360 HE2 TYR 51 1HE TYR 51 11.461 2.719 2.906 361 HH TYR 51 HH TYR 51 12.863 1.155 2.249 362 H ARG 52 H ARG 52 6.473 3.716 -3.109 363 HA ARG 52 HA ARG 52 4.482 5.763 -2.638 364 HB2 ARG 52 1HB ARG 52 5.338 5.857 -4.881 365 HB3 ARG 52 2HB ARG 52 5.286 4.116 -5.069 366 HG2 ARG 52 1HG ARG 52 3.120 4.155 -5.769 367 HG3 ARG 52 2HG ARG 52 2.625 5.177 -4.434 368 HD2 ARG 52 1HD ARG 52 2.421 6.900 -5.899 369 HD3 ARG 52 2HD ARG 52 4.160 6.877 -6.110 370 HE ARG 52 HE ARG 52 2.154 5.716 -7.931 371 HH11 ARG 52 2HH2 ARG 52 5.551 5.858 -7.023 372 HH12 ARG 52 1HH2 ARG 52 6.117 5.295 -8.560 373 HH21 ARG 52 2HH1 ARG 52 2.900 4.973 -9.959 374 HH22 ARG 52 1HH1 ARG 52 4.599 4.788 -10.241 375 H ILE 53 H ILE 53 2.604 5.138 -1.621 376 HA ILE 53 HA ILE 53 1.841 2.315 -1.867 377 HB ILE 53 HB ILE 53 2.409 3.024 0.387 378 HG12 ILE 53 1HG1 ILE 53 -0.564 2.544 0.029 379 HG13 ILE 53 2HG1 ILE 53 0.675 1.305 0.014 380 HG21 ILE 53 1HG2 ILE 53 1.876 5.002 1.237 381 HG22 ILE 53 2HG2 ILE 53 1.144 5.430 -0.328 382 HG23 ILE 53 3HG2 ILE 53 0.142 4.714 0.957 383 HD11 ILE 53 1HD1 ILE 53 0.660 1.209 2.273 384 HD12 ILE 53 2HD1 ILE 53 1.034 2.946 2.376 385 HD13 ILE 53 3HD1 ILE 53 -0.659 2.405 2.283 386 H SER 54 H SER 54 -0.360 1.780 -2.318 387 HA SER 54 HA SER 54 -2.123 3.960 -2.908 388 HB2 SER 54 1HB SER 54 -1.965 2.044 -5.176 389 HB3 SER 54 2HB SER 54 -2.211 3.779 -5.194 390 HG SER 54 HG SER 54 0.200 2.289 -5.269 391 H TRP 55 H TRP 55 -4.009 3.322 -1.937 392 HA TRP 55 HA TRP 55 -4.534 0.443 -1.789 393 HB2 TRP 55 1HB TRP 55 -5.957 0.931 0.072 394 HB3 TRP 55 2HB TRP 55 -4.380 1.649 0.337 395 HD1 TRP 55 HD TRP 55 -7.887 2.851 -0.916 396 HE1 TRP 55 1HE TRP 55 -8.337 5.335 -0.148 397 HE3 TRP 55 3HE TRP 55 -3.341 3.562 1.249 398 HZ2 TRP 55 2HZ TRP 55 -6.777 7.275 1.248 399 HZ3 TRP 55 3HZ TRP 55 -2.885 5.780 2.292 400 HH2 TRP 55 HH TRP 55 -4.515 7.601 2.314 401 H GLU 56 H GLU 56 -6.620 -0.360 -2.449 402 HA GLU 56 HA GLU 56 -8.580 1.381 -3.437 403 HB2 GLU 56 1HB GLU 56 -8.426 1.031 -5.802 404 HB3 GLU 56 2HB GLU 56 -6.824 1.514 -5.281 405 HG2 GLU 56 1HG GLU 56 -6.068 -0.835 -5.265 406 HG3 GLU 56 2HG GLU 56 -7.688 -1.395 -5.631 407 H GLU 57 H GLU 57 -10.531 0.202 -4.088 408 HA GLU 57 HA GLU 57 -11.002 -2.019 -2.619 409 HB2 GLU 57 1HB GLU 57 -12.337 -0.639 -4.891 410 HB3 GLU 57 2HB GLU 57 -12.819 -2.310 -4.673 411 HG2 GLU 57 1HG GLU 57 -12.815 -1.350 -2.053 412 HG3 GLU 57 2HG GLU 57 -13.363 0.047 -2.959 413 H TYR 58 H TYR 58 -12.019 -4.154 -3.912 414 HA TYR 58 HA TYR 58 -9.811 -5.645 -4.635 415 HB2 TYR 58 1HB TYR 58 -11.910 -6.670 -3.921 416 HB3 TYR 58 2HB TYR 58 -12.840 -5.748 -5.085 417 HD1 TYR 58 2HD TYR 58 -9.924 -8.121 -5.244 418 HD2 TYR 58 1HD TYR 58 -13.767 -7.027 -6.772 419 HE1 TYR 58 2HE TYR 58 -9.843 -10.077 -6.866 420 HE2 TYR 58 1HE TYR 58 -13.673 -8.986 -8.390 421 HH TYR 58 HH TYR 58 -10.783 -11.028 -8.582 422 H ASN 59 H ASN 59 -12.469 -4.502 -6.848 423 HA ASN 59 HA ASN 59 -10.418 -4.331 -8.905 424 HB2 ASN 59 1HB ASN 59 -12.154 -5.162 -10.556 425 HB3 ASN 59 2HB ASN 59 -11.690 -6.373 -9.379 426 HD21 ASN 59 1HD2 ASN 59 -13.910 -6.948 -10.512 427 HD22 ASN 59 2HD2 ASN 59 -15.318 -6.605 -9.564 428 H ARG 60 H ARG 60 -10.997 -2.065 -7.542 429 HA ARG 60 HA ARG 60 -12.687 -0.644 -9.401 430 HB2 ARG 60 1HB ARG 60 -13.245 -1.050 -6.511 431 HB3 ARG 60 2HB ARG 60 -13.274 0.636 -6.985 432 HG2 ARG 60 1HG ARG 60 -14.904 0.136 -8.786 433 HG3 ARG 60 2HG ARG 60 -14.827 -1.574 -8.413 434 HD2 ARG 60 1HD ARG 60 -16.044 -1.346 -6.421 435 HD3 ARG 60 2HD ARG 60 -15.520 0.305 -6.158 436 HE ARG 60 HE ARG 60 -17.271 1.081 -7.535 437 HH11 ARG 60 2HH2 ARG 60 -16.968 -2.413 -7.820 438 HH12 ARG 60 1HH2 ARG 60 -18.455 -2.600 -8.688 439 HH21 ARG 60 2HH1 ARG 60 -19.233 0.836 -8.680 440 HH22 ARG 60 1HH1 ARG 60 -19.752 -0.739 -9.180 441 H THR 61 H THR 61 -10.633 0.184 -10.220 442 HA THR 61 HA THR 61 -8.701 1.365 -8.548 443 HB THR 61 HB THR 61 -9.379 1.621 -11.522 444 HG1 THR 61 1HG THR 61 -7.486 0.177 -9.806 445 HG21 THR 61 1HG2 THR 61 -6.935 2.517 -9.913 446 HG22 THR 61 2HG2 THR 61 -6.904 2.259 -11.673 447 HG23 THR 61 3HG2 THR 61 -7.944 3.525 -10.977 448 H ASN 62 H ASN 62 -11.729 2.559 -9.961 449 HA ASN 62 HA ASN 62 -11.317 5.210 -9.942 450 HB2 ASN 62 1HB ASN 62 -13.471 3.838 -10.473 451 HB3 ASN 62 2HB ASN 62 -13.839 3.949 -8.763 452 HD21 ASN 62 1HD2 ASN 62 -15.671 4.974 -10.261 453 HD22 ASN 62 2HD2 ASN 62 -15.655 6.705 -10.321 454 H THR 63 H THR 63 -11.423 2.960 -7.234 455 HA THR 63 HA THR 63 -11.575 5.192 -5.323 456 HB THR 63 HB THR 63 -12.308 3.475 -3.727 457 HG1 THR 63 1HG THR 63 -12.134 1.265 -4.396 458 HG21 THR 63 1HG2 THR 63 -14.375 3.654 -4.702 459 HG22 THR 63 2HG2 THR 63 -13.663 3.780 -6.328 460 HG23 THR 63 3HG2 THR 63 -13.961 2.179 -5.609 461 H ARG 64 H ARG 64 -9.204 4.756 -6.919 462 HA ARG 64 HA ARG 64 -7.450 3.542 -4.961 463 HB2 ARG 64 1HB ARG 64 -7.394 2.973 -7.505 464 HB3 ARG 64 2HB ARG 64 -6.668 4.552 -7.732 465 HG2 ARG 64 1HG ARG 64 -5.182 3.449 -5.614 466 HG3 ARG 64 2HG ARG 64 -5.467 2.078 -6.667 467 HD2 ARG 64 1HD ARG 64 -4.792 4.029 -8.513 468 HD3 ARG 64 2HD ARG 64 -3.818 4.517 -7.140 469 HE ARG 64 HE ARG 64 -3.367 1.793 -7.269 470 HH11 ARG 64 2HH2 ARG 64 -3.137 4.400 -9.621 471 HH12 ARG 64 1HH2 ARG 64 -1.879 3.636 -10.535 472 HH21 ARG 64 2HH1 ARG 64 -1.707 0.785 -8.474 473 HH22 ARG 64 1HH1 ARG 64 -1.060 1.566 -9.877 474 H VAL 65 H VAL 65 -5.544 4.720 -4.184 475 HA VAL 65 HA VAL 65 -5.676 7.611 -4.672 476 HB VAL 65 HB VAL 65 -6.715 6.893 -2.499 477 HG11 VAL 65 1HG1 VAL 65 -3.959 5.787 -2.121 478 HG12 VAL 65 2HG1 VAL 65 -4.786 6.496 -0.713 479 HG13 VAL 65 3HG1 VAL 65 -5.534 5.144 -1.596 480 HG21 VAL 65 1HG2 VAL 65 -5.258 9.101 -3.111 481 HG22 VAL 65 2HG2 VAL 65 -6.105 8.863 -1.564 482 HG23 VAL 65 3HG2 VAL 65 -4.365 8.509 -1.689 483 H THR 66 H THR 66 -3.566 8.720 -4.191 484 HA THR 66 HA THR 66 -1.302 6.866 -4.491 485 HB THR 66 HB THR 66 -1.828 9.471 -6.019 486 HG1 THR 66 1HG THR 66 -1.606 6.645 -6.782 487 HG21 THR 66 1HG2 THR 66 0.359 9.381 -6.668 488 HG22 THR 66 2HG2 THR 66 0.628 8.074 -5.490 489 HG23 THR 66 3HG2 THR 66 0.155 7.683 -7.161 490 H HIS 67 H HIS 67 -0.283 6.957 -2.575 491 HA HIS 67 HA HIS 67 0.137 9.649 -1.495 492 HB2 HIS 67 1HB HIS 67 -0.597 7.070 -0.230 493 HB3 HIS 67 2HB HIS 67 0.612 8.011 0.622 494 HD1 HIS 67 1HD HIS 67 -0.671 10.862 -0.209 495 HD2 HIS 67 2HD HIS 67 -2.657 7.627 1.575 496 HE1 HIS 67 1HE HIS 67 -2.707 11.840 0.977 497 H TYR 68 H TYR 68 2.251 9.923 -0.300 498 HA TYR 68 HA TYR 68 4.320 8.147 -1.391 499 HB2 TYR 68 1HB TYR 68 3.957 11.188 -1.385 500 HB3 TYR 68 2HB TYR 68 5.579 10.524 -1.426 501 HD1 TYR 68 2HD TYR 68 5.747 8.475 -3.282 502 HD2 TYR 68 1HD TYR 68 3.124 11.851 -3.436 503 HE1 TYR 68 2HE TYR 68 5.581 8.239 -5.808 504 HE2 TYR 68 1HE TYR 68 2.966 11.603 -5.962 505 HH TYR 68 HH TYR 68 4.378 10.659 -7.768 506 H LEU 69 H LEU 69 6.021 7.675 0.002 507 HA LEU 69 HA LEU 69 6.049 9.122 2.544 508 HB2 LEU 69 1HB LEU 69 6.295 6.128 2.437 509 HB3 LEU 69 2HB LEU 69 6.078 7.162 3.835 510 HG LEU 69 HG LEU 69 3.952 6.939 1.705 511 HD11 LEU 69 1HD1 LEU 69 2.962 5.324 3.599 512 HD12 LEU 69 2HD1 LEU 69 3.911 4.732 2.215 513 HD13 LEU 69 3HD1 LEU 69 4.694 4.963 3.797 514 HD21 LEU 69 1HD2 LEU 69 3.777 8.815 3.268 515 HD22 LEU 69 2HD2 LEU 69 2.459 7.642 3.503 516 HD23 LEU 69 3HD2 LEU 69 3.827 7.682 4.641 517 HA PRO 70 HA PRO 70 10.321 9.004 1.959 518 HB2 PRO 70 1HB PRO 70 11.301 9.034 4.511 519 HB3 PRO 70 2HB PRO 70 10.698 10.465 3.699 520 HG2 PRO 70 1HG PRO 70 9.414 8.860 5.824 521 HG3 PRO 70 2HG PRO 70 9.045 10.494 5.307 522 HD2 PRO 70 1HD PRO 70 7.561 8.121 4.682 523 HD3 PRO 70 2HD PRO 70 7.261 9.736 4.072 524 H ASN 71 H ASN 71 12.512 7.930 2.731 525 HA ASN 71 HA ASN 71 11.948 5.158 2.311 526 HB2 ASN 71 1HB ASN 71 14.461 4.972 2.167 527 HB3 ASN 71 2HB ASN 71 13.818 6.187 1.080 528 HD21 ASN 71 1HD2 ASN 71 16.464 5.864 2.331 529 HD22 ASN 71 2HD2 ASN 71 16.812 7.342 3.164 530 H VAL 72 H VAL 72 11.393 6.739 4.944 531 HA VAL 72 HA VAL 72 13.047 5.082 6.721 532 HB VAL 72 HB VAL 72 12.811 6.772 8.381 533 HG11 VAL 72 1HG1 VAL 72 14.619 7.193 6.861 534 HG12 VAL 72 2HG1 VAL 72 13.523 7.940 5.673 535 HG13 VAL 72 3HG1 VAL 72 13.843 8.753 7.224 536 HG21 VAL 72 1HG2 VAL 72 11.547 8.942 7.045 537 HG22 VAL 72 2HG2 VAL 72 10.485 7.523 6.876 538 HG23 VAL 72 3HG2 VAL 72 10.998 8.063 8.493 539 H THR 73 H THR 73 9.824 5.990 5.609 540 HA THR 73 HA THR 73 8.614 4.424 7.771 541 HB THR 73 HB THR 73 7.611 6.466 5.736 542 HG1 THR 73 1HG THR 73 7.709 6.054 8.640 543 HG21 THR 73 1HG2 THR 73 6.041 4.614 7.595 544 HG22 THR 73 2HG2 THR 73 5.394 6.169 7.021 545 HG23 THR 73 3HG2 THR 73 5.774 4.879 5.855 546 H LEU 74 H LEU 74 7.387 2.581 7.429 547 HA LEU 74 HA LEU 74 7.325 1.603 4.674 548 HB2 LEU 74 1HB LEU 74 8.061 -0.257 6.902 549 HB3 LEU 74 2HB LEU 74 8.280 -0.446 5.173 550 HG LEU 74 HG LEU 74 9.777 1.777 6.474 551 HD11 LEU 74 1HD1 LEU 74 10.580 -1.123 6.841 552 HD12 LEU 74 2HD1 LEU 74 11.549 0.306 7.277 553 HD13 LEU 74 3HD1 LEU 74 10.017 -0.022 8.122 554 HD21 LEU 74 1HD2 LEU 74 11.358 0.078 4.812 555 HD22 LEU 74 2HD2 LEU 74 9.802 0.376 4.000 556 HD23 LEU 74 3HD2 LEU 74 10.813 1.747 4.517 557 H GLU 75 H GLU 75 5.556 2.732 7.092 558 HA GLU 75 HA GLU 75 3.441 0.841 6.525 559 HB2 GLU 75 1HB GLU 75 2.799 0.574 8.829 560 HB3 GLU 75 2HB GLU 75 4.512 0.219 8.738 561 HG2 GLU 75 1HG GLU 75 4.264 3.049 9.175 562 HG3 GLU 75 2HG GLU 75 3.172 2.261 10.297 563 H TYR 76 H TYR 76 1.278 1.773 6.752 564 HA TYR 76 HA TYR 76 1.065 4.544 7.488 565 HB2 TYR 76 1HB TYR 76 1.946 4.541 5.103 566 HB3 TYR 76 2HB TYR 76 0.646 3.465 4.629 567 HD1 TYR 76 2HD TYR 76 -1.749 4.314 4.726 568 HD2 TYR 76 1HD TYR 76 1.633 6.898 5.161 569 HE1 TYR 76 2HE TYR 76 -3.207 6.325 4.183 570 HE2 TYR 76 1HE TYR 76 0.164 8.900 4.617 571 HH TYR 76 HH TYR 76 -1.965 9.586 4.492 572 H ARG 77 H ARG 77 -1.075 5.133 7.963 573 HA ARG 77 HA ARG 77 -2.838 2.881 8.108 574 HB2 ARG 77 1HB ARG 77 -2.601 4.361 10.077 575 HB3 ARG 77 2HB ARG 77 -3.084 5.754 9.130 576 HG2 ARG 77 1HG ARG 77 -5.313 5.240 9.272 577 HG3 ARG 77 2HG ARG 77 -5.038 3.533 8.988 578 HD2 ARG 77 1HD ARG 77 -5.936 3.913 11.272 579 HD3 ARG 77 2HD ARG 77 -4.330 3.217 11.344 580 HE ARG 77 HE ARG 77 -5.039 6.047 11.958 581 HH11 ARG 77 2HH2 ARG 77 -2.607 3.508 11.810 582 HH12 ARG 77 1HH2 ARG 77 -1.459 4.375 12.774 583 HH21 ARG 77 2HH1 ARG 77 -3.525 7.192 13.230 584 HH22 ARG 77 1HH1 ARG 77 -1.985 6.485 13.587 585 H VAL 78 H VAL 78 -4.602 2.550 6.755 586 HA VAL 78 HA VAL 78 -5.070 4.610 4.738 587 HB VAL 78 HB VAL 78 -5.860 1.694 4.881 588 HG11 VAL 78 1HG1 VAL 78 -6.115 2.340 2.270 589 HG12 VAL 78 2HG1 VAL 78 -7.460 2.405 3.434 590 HG13 VAL 78 3HG1 VAL 78 -6.576 3.891 3.011 591 HG21 VAL 78 1HG2 VAL 78 -3.489 1.851 4.600 592 HG22 VAL 78 2HG2 VAL 78 -4.187 1.481 3.004 593 HG23 VAL 78 3HG2 VAL 78 -3.655 3.138 3.381 594 H THR 79 H THR 79 -7.232 5.331 4.247 595 HA THR 79 HA THR 79 -9.358 4.540 6.034 596 HB THR 79 HB THR 79 -9.664 6.853 6.917 597 HG1 THR 79 1HG THR 79 -7.231 7.128 5.304 598 HG21 THR 79 1HG2 THR 79 -6.736 6.028 7.258 599 HG22 THR 79 2HG2 THR 79 -7.707 7.016 8.376 600 HG23 THR 79 3HG2 THR 79 -8.073 5.286 8.169 601 H GLY 80 H GLY 80 -11.438 5.155 5.296 602 HA2 GLY 80 1HA GLY 80 -12.860 6.265 3.804 603 HA3 GLY 80 2HA GLY 80 -11.516 6.561 2.720 604 H LEU 81 H LEU 81 -11.976 3.382 4.263 605 HA LEU 81 HA LEU 81 -12.387 2.260 1.609 606 HB2 LEU 81 1HB LEU 81 -11.980 0.658 4.105 607 HB3 LEU 81 2HB LEU 81 -11.573 0.262 2.447 608 HG LEU 81 HG LEU 81 -10.164 2.526 3.840 609 HD11 LEU 81 1HD1 LEU 81 -8.643 0.074 3.975 610 HD12 LEU 81 2HD1 LEU 81 -9.059 1.230 5.263 611 HD13 LEU 81 3HD1 LEU 81 -10.181 -0.090 4.855 612 HD21 LEU 81 1HD2 LEU 81 -8.954 2.594 1.984 613 HD22 LEU 81 2HD2 LEU 81 -8.541 0.869 2.138 614 HD23 LEU 81 3HD2 LEU 81 -10.022 1.356 1.279 615 H THR 82 H THR 82 -13.664 -0.185 2.619 616 HA THR 82 HA THR 82 -16.251 0.863 3.526 617 HB THR 82 HB THR 82 -15.766 -1.006 1.145 618 HG1 THR 82 1HG THR 82 -15.298 1.362 0.928 619 HG21 THR 82 1HG2 THR 82 -17.997 -1.128 2.619 620 HG22 THR 82 2HG2 THR 82 -18.361 0.413 1.804 621 HG23 THR 82 3HG2 THR 82 -18.105 -1.063 0.843 622 H ALA 83 H ALA 83 -17.484 -0.527 4.802 623 HA ALA 83 HA ALA 83 -15.955 -2.417 6.248 624 HB1 ALA 83 1HB ALA 83 -18.907 -2.507 6.472 625 HB2 ALA 83 2HB ALA 83 -17.670 -2.255 7.728 626 HB3 ALA 83 3HB ALA 83 -18.192 -0.894 6.707 627 H LEU 84 H LEU 84 -16.041 -4.691 6.249 628 HA LEU 84 HA LEU 84 -16.020 -6.633 5.156 629 HB2 LEU 84 1HB LEU 84 -18.957 -5.987 4.874 630 HB3 LEU 84 2HB LEU 84 -18.236 -7.581 4.793 631 HG LEU 84 HG LEU 84 -18.648 -5.802 7.176 632 HD11 LEU 84 1HD1 LEU 84 -20.280 -7.604 6.414 633 HD12 LEU 84 2HD1 LEU 84 -19.051 -8.785 6.928 634 HD13 LEU 84 3HD1 LEU 84 -19.753 -7.657 8.113 635 HD21 LEU 84 1HD2 LEU 84 -16.574 -7.996 6.956 636 HD22 LEU 84 2HD2 LEU 84 -16.318 -6.285 7.374 637 HD23 LEU 84 3HD2 LEU 84 -17.191 -7.355 8.497 638 H THR 85 H THR 85 -14.783 -5.084 3.477 639 HA THR 85 HA THR 85 -15.923 -5.815 0.889 640 HB THR 85 HB THR 85 -15.270 -3.013 1.884 641 HG1 THR 85 1HG THR 85 -17.460 -4.265 1.657 642 HG21 THR 85 1HG2 THR 85 -14.750 -2.241 -0.224 643 HG22 THR 85 2HG2 THR 85 -14.262 -3.923 -0.546 644 HG23 THR 85 3HG2 THR 85 -15.889 -3.365 -1.004 645 H THR 86 H THR 86 -14.416 -6.327 -0.684 646 HA THR 86 HA THR 86 -11.795 -6.906 0.360 647 HB THR 86 HB THR 86 -13.033 -7.308 -2.414 648 HG1 THR 86 1HG THR 86 -13.402 -9.466 -1.378 649 HG21 THR 86 1HG2 THR 86 -11.389 -9.113 -2.631 650 HG22 THR 86 2HG2 THR 86 -10.503 -7.620 -2.237 651 HG23 THR 86 3HG2 THR 86 -10.806 -8.836 -0.972 652 H TYR 87 H TYR 87 -9.918 -5.841 0.054 653 HA TYR 87 HA TYR 87 -9.920 -3.705 -1.952 654 HB2 TYR 87 1HB TYR 87 -9.422 -3.699 1.059 655 HB3 TYR 87 2HB TYR 87 -8.479 -2.596 0.076 656 HD1 TYR 87 1HD TYR 87 -9.539 -0.697 -1.062 657 HD2 TYR 87 2HD TYR 87 -11.826 -3.375 1.368 658 HE1 TYR 87 1HE TYR 87 -11.456 0.973 -1.013 659 HE2 TYR 87 2HE TYR 87 -13.735 -1.696 1.408 660 HH TYR 87 HH TYR 87 -14.324 0.406 -0.525 661 H THR 88 H THR 88 -7.685 -2.958 -2.497 662 HA THR 88 HA THR 88 -5.657 -4.987 -1.859 663 HB THR 88 HB THR 88 -6.865 -4.233 -4.491 664 HG1 THR 88 1HG THR 88 -6.857 -6.376 -3.418 665 HG21 THR 88 1HG2 THR 88 -4.458 -3.274 -4.554 666 HG22 THR 88 2HG2 THR 88 -3.900 -4.943 -4.285 667 HG23 THR 88 3HG2 THR 88 -4.823 -4.539 -5.753 668 H ILE 89 H ILE 89 -3.918 -4.105 -0.951 669 HA ILE 89 HA ILE 89 -3.485 -1.251 -1.459 670 HB ILE 89 HB ILE 89 -2.301 -2.851 0.793 671 HG12 ILE 89 1HG1 ILE 89 -4.615 -3.276 1.069 672 HG13 ILE 89 2HG1 ILE 89 -4.209 -1.990 2.188 673 HG21 ILE 89 1HG2 ILE 89 -2.952 0.097 0.532 674 HG22 ILE 89 2HG2 ILE 89 -2.099 -0.700 1.875 675 HG23 ILE 89 3HG2 ILE 89 -1.349 -0.628 0.263 676 HD11 ILE 89 1HD1 ILE 89 -6.128 -1.964 0.013 677 HD12 ILE 89 2HD1 ILE 89 -5.841 -0.728 1.260 678 HD13 ILE 89 3HD1 ILE 89 -4.907 -0.696 -0.255 679 H GLU 90 H GLU 90 -1.839 -0.684 -2.771 680 HA GLU 90 HA GLU 90 0.173 -2.736 -3.239 681 HB2 GLU 90 1HB GLU 90 -0.449 -0.328 -4.997 682 HB3 GLU 90 2HB GLU 90 0.550 -1.706 -5.412 683 HG2 GLU 90 1HG GLU 90 -1.260 -2.883 -6.108 684 HG3 GLU 90 2HG GLU 90 -2.052 -2.667 -4.559 685 H VAL 91 H VAL 91 2.193 -2.400 -2.415 686 HA VAL 91 HA VAL 91 2.880 0.375 -1.729 687 HB VAL 91 HB VAL 91 3.600 -2.243 -0.401 688 HG11 VAL 91 1HG1 VAL 91 5.281 -0.068 -0.599 689 HG12 VAL 91 2HG1 VAL 91 4.438 0.235 0.940 690 HG13 VAL 91 3HG1 VAL 91 5.318 -1.292 0.693 691 HG21 VAL 91 1HG2 VAL 91 2.205 0.159 0.804 692 HG22 VAL 91 2HG2 VAL 91 1.324 -1.180 0.029 693 HG23 VAL 91 3HG2 VAL 91 2.336 -1.491 1.460 694 H ALA 92 H ALA 92 4.383 1.230 -3.060 695 HA ALA 92 HA ALA 92 6.276 -0.653 -4.292 696 HB1 ALA 92 1HB ALA 92 5.539 0.225 -6.227 697 HB2 ALA 92 2HB ALA 92 4.558 1.434 -5.366 698 HB3 ALA 92 3HB ALA 92 6.267 1.771 -5.731 699 H ALA 93 H ALA 93 8.440 0.482 -4.862 700 HA ALA 93 HA ALA 93 9.150 2.235 -2.609 701 HB1 ALA 93 1HB ALA 93 10.885 0.172 -4.024 702 HB2 ALA 93 2HB ALA 93 11.332 1.148 -2.605 703 HB3 ALA 93 3HB ALA 93 10.061 -0.091 -2.469 704 H MET 94 H MET 94 10.469 4.038 -3.055 705 HA MET 94 HA MET 94 10.828 4.510 -5.915 706 HB2 MET 94 1HB MET 94 10.313 6.487 -3.622 707 HB3 MET 94 2HB MET 94 10.601 6.965 -5.284 708 HG2 MET 94 1HG MET 94 8.579 5.656 -6.001 709 HG3 MET 94 2HG MET 94 8.285 5.209 -4.332 710 HE1 MET 94 1HE MET 94 8.277 7.074 -2.417 711 HE2 MET 94 2HE MET 94 9.459 8.206 -3.115 712 HE3 MET 94 3HE MET 94 7.828 8.775 -2.687 713 H THR 95 H THR 95 12.852 5.192 -6.646 714 HA THR 95 HA THR 95 14.895 5.555 -4.553 715 HB THR 95 HB THR 95 16.373 4.524 -6.505 716 HG1 THR 95 1HG THR 95 15.072 3.433 -8.015 717 HG21 THR 95 1HG2 THR 95 16.237 3.050 -4.673 718 HG22 THR 95 2HG2 THR 95 14.457 3.086 -4.654 719 HG23 THR 95 3HG2 THR 95 15.314 2.137 -5.891 720 H SER 96 H SER 96 17.014 6.333 -6.170 721 HA SER 96 HA SER 96 16.235 9.017 -6.610 722 HB2 SER 96 1HB SER 96 18.453 8.345 -5.666 723 HB3 SER 96 2HB SER 96 18.878 7.609 -7.198 724 HG SER 96 HG SER 96 18.188 10.003 -7.951 725 H LYS 97 H LYS 97 15.729 6.297 -8.429 726 HA LYS 97 HA LYS 97 16.208 7.701 -10.963 727 HB2 LYS 97 1HB LYS 97 17.151 5.823 -11.679 728 HB3 LYS 97 2HB LYS 97 16.892 5.077 -10.116 729 HG2 LYS 97 1HG LYS 97 15.742 3.638 -11.609 730 HG3 LYS 97 2HG LYS 97 14.461 4.615 -10.919 731 HD2 LYS 97 1HD LYS 97 15.248 6.163 -13.093 732 HD3 LYS 97 2HD LYS 97 15.483 4.538 -13.707 733 HE2 LYS 97 1HE LYS 97 13.189 3.945 -13.375 734 HE3 LYS 97 2HE LYS 97 12.908 5.279 -12.272 735 HZ1 LYS 97 1HZ LYS 97 12.026 5.697 -14.471 736 HZ2 LYS 97 2HZ LYS 97 13.176 6.794 -14.096 737 HZ3 LYS 97 3HZ LYS 97 13.514 5.578 -15.133 738 H GLY 98 H GLY 98 13.870 5.844 -8.961 739 HA2 GLY 98 1HA GLY 98 11.641 7.268 -9.550 740 HA3 GLY 98 2HA GLY 98 11.747 6.142 -10.889 741 H GLN 99 H GLN 99 9.762 5.108 -10.146 742 HA GLN 99 HA GLN 99 10.048 3.700 -7.626 743 HB2 GLN 99 1HB GLN 99 7.978 5.035 -8.006 744 HB3 GLN 99 2HB GLN 99 7.608 4.068 -9.420 745 HG2 GLN 99 1HG GLN 99 8.099 2.216 -7.294 746 HG3 GLN 99 2HG GLN 99 7.084 3.476 -6.620 747 HE21 GLN 99 1HE2 GLN 99 4.990 3.511 -7.051 748 HE22 GLN 99 2HE2 GLN 99 4.158 2.510 -8.194 749 H GLY 100 H GLY 100 9.836 1.396 -7.482 750 HA2 GLY 100 1HA GLY 100 10.295 0.025 -10.057 751 HA3 GLY 100 2HA GLY 100 10.905 -0.489 -8.497 752 H GLN 101 H GLN 101 9.911 -2.598 -8.789 753 HA GLN 101 HA GLN 101 7.376 -3.123 -9.464 754 HB2 GLN 101 1HB GLN 101 9.496 -4.547 -8.361 755 HB3 GLN 101 2HB GLN 101 8.262 -4.712 -7.129 756 HG2 GLN 101 1HG GLN 101 6.976 -6.081 -8.430 757 HG3 GLN 101 2HG GLN 101 7.170 -5.069 -9.848 758 HE21 GLN 101 1HE2 GLN 101 7.362 -8.027 -9.289 759 HE22 GLN 101 2HE2 GLN 101 8.859 -8.540 -9.993 760 H VAL 102 H VAL 102 5.564 -4.005 -7.881 761 HA VAL 102 HA VAL 102 5.373 -2.318 -5.510 762 HB VAL 102 HB VAL 102 4.276 -1.414 -7.766 763 HG11 VAL 102 1HG1 VAL 102 2.902 -3.663 -7.762 764 HG12 VAL 102 2HG1 VAL 102 1.872 -2.788 -6.604 765 HG13 VAL 102 3HG1 VAL 102 2.131 -2.130 -8.238 766 HG21 VAL 102 1HG2 VAL 102 2.389 -1.016 -5.562 767 HG22 VAL 102 2HG2 VAL 102 4.088 -0.836 -5.061 768 HG23 VAL 102 3HG2 VAL 102 3.443 0.152 -6.394 769 H SER 103 H SER 103 4.322 -3.326 -3.806 770 HA SER 103 HA SER 103 3.581 -6.072 -4.366 771 HB2 SER 103 1HB SER 103 4.559 -4.583 -1.938 772 HB3 SER 103 2HB SER 103 3.566 -6.003 -1.679 773 HG SER 103 HG SER 103 6.202 -5.800 -2.640 774 H ALA 104 H ALA 104 1.415 -6.268 -4.859 775 HA ALA 104 HA ALA 104 -0.450 -4.616 -3.305 776 HB1 ALA 104 1HB ALA 104 -0.224 -4.626 -5.953 777 HB2 ALA 104 2HB ALA 104 -1.220 -6.094 -5.808 778 HB3 ALA 104 3HB ALA 104 -1.821 -4.544 -5.171 779 H SER 105 H SER 105 -1.500 -5.645 -1.686 780 HA SER 105 HA SER 105 -1.891 -8.515 -2.045 781 HB2 SER 105 1HB SER 105 -0.579 -7.069 0.083 782 HB3 SER 105 2HB SER 105 -2.022 -7.816 0.740 783 HG SER 105 HG SER 105 0.355 -8.989 -0.067 784 H THR 106 H THR 106 -3.994 -9.293 -1.741 785 HA THR 106 HA THR 106 -6.066 -7.308 -1.570 786 HB THR 106 HB THR 106 -6.575 -10.283 -1.514 787 HG1 THR 106 1HG THR 106 -5.573 -10.469 -3.530 788 HG21 THR 106 1HG2 THR 106 -8.560 -9.466 -2.308 789 HG22 THR 106 2HG2 THR 106 -7.875 -7.832 -2.483 790 HG23 THR 106 3HG2 THR 106 -7.687 -9.022 -3.794 791 H ILE 107 H ILE 107 -7.351 -6.760 0.111 792 HA ILE 107 HA ILE 107 -7.345 -8.469 2.451 793 HB ILE 107 HB ILE 107 -5.461 -7.163 2.976 794 HG12 ILE 107 1HG1 ILE 107 -6.379 -5.655 4.849 795 HG13 ILE 107 2HG1 ILE 107 -7.971 -6.177 4.336 796 HG21 ILE 107 1HG2 ILE 107 -6.971 -4.972 1.657 797 HG22 ILE 107 2HG2 ILE 107 -5.934 -4.523 3.032 798 HG23 ILE 107 3HG2 ILE 107 -5.234 -5.361 1.626 799 HD11 ILE 107 1HD1 ILE 107 -6.554 -7.523 6.192 800 HD12 ILE 107 2HD1 ILE 107 -7.659 -8.354 5.071 801 HD13 ILE 107 3HD1 ILE 107 -5.911 -8.326 4.739 802 H SER 108 H SER 108 -9.350 -8.531 3.367 803 HA SER 108 HA SER 108 -11.257 -6.658 2.238 804 HB2 SER 108 1HB SER 108 -11.943 -8.916 1.875 805 HB3 SER 108 2HB SER 108 -11.512 -9.405 3.501 806 HG SER 108 HG SER 108 -13.272 -8.095 4.316 807 H SER 109 H SER 109 -12.009 -4.993 3.501 808 HA SER 109 HA SER 109 -11.088 -4.238 5.823 809 HB2 SER 109 1HB SER 109 -13.335 -3.139 6.265 810 HB3 SER 109 2HB SER 109 -12.679 -2.859 4.664 811 HG SER 109 HG SER 109 -14.874 -3.415 4.438 812 H GLY 110 H GLY 110 -11.580 -4.476 8.104 813 HA2 GLY 110 1HA GLY 110 -12.080 -7.103 8.944 814 HA3 GLY 110 2HA GLY 110 -12.026 -5.672 9.953 815 H VAL 111 H VAL 111 -13.953 -4.621 10.596 816 HA VAL 111 HA VAL 111 -16.440 -5.197 9.385 817 HB VAL 111 HB VAL 111 -16.153 -7.349 10.438 818 HG11 VAL 111 1HG1 VAL 111 -15.757 -5.804 13.023 819 HG12 VAL 111 2HG1 VAL 111 -15.961 -7.568 12.901 820 HG13 VAL 111 3HG1 VAL 111 -14.541 -6.784 12.169 821 HG21 VAL 111 1HG2 VAL 111 -18.145 -7.276 12.031 822 HG22 VAL 111 2HG2 VAL 111 -18.173 -5.518 11.754 823 HG23 VAL 111 3HG2 VAL 111 -18.413 -6.638 10.391 824 HA PRO 112 HA PRO 112 -17.093 -1.501 11.540 825 HB2 PRO 112 1HB PRO 112 -19.765 -1.152 11.085 826 HB3 PRO 112 2HB PRO 112 -18.530 -0.732 9.914 827 HG2 PRO 112 1HG PRO 112 -20.373 -3.044 9.917 828 HG3 PRO 112 2HG PRO 112 -19.449 -2.378 8.585 829 HD2 PRO 112 1HD PRO 112 -18.846 -4.755 10.073 830 HD3 PRO 112 2HD PRO 112 -17.863 -4.026 8.819 831 HA PRO 113 HA PRO 113 -18.306 -2.807 15.430 832 HB2 PRO 113 1HB PRO 113 -17.459 -0.636 16.857 833 HB3 PRO 113 2HB PRO 113 -16.408 -1.971 16.430 834 HG2 PRO 113 1HG PRO 113 -16.527 0.741 15.260 835 HG3 PRO 113 2HG PRO 113 -15.240 -0.444 15.156 836 HD2 PRO 113 1HD PRO 113 -17.143 0.207 13.111 837 HD3 PRO 113 2HD PRO 113 -15.930 -1.056 13.051 838 H SER 114 H SER 114 -19.303 0.093 13.886 839 HA SER 114 HA SER 114 -20.995 1.447 14.271 840 HB2 SER 114 1HB SER 114 -21.896 -1.219 13.705 841 HB3 SER 114 2HB SER 114 -23.045 -0.518 14.828 842 HG SER 114 HG SER 114 -23.719 0.046 12.741 843 H GLY 115 H GLY 115 -20.117 2.262 16.366 844 HA2 GLY 115 1HA GLY 115 -20.719 3.052 18.421 845 HA3 GLY 115 2HA GLY 115 -22.055 1.920 18.485 846 HA PRO 116 HA PRO 116 -18.433 0.389 20.967 847 HB2 PRO 116 1HB PRO 116 -19.069 1.235 23.486 848 HB3 PRO 116 2HB PRO 116 -17.931 2.075 22.452 849 HG2 PRO 116 1HG PRO 116 -20.710 2.815 23.135 850 HG3 PRO 116 2HG PRO 116 -19.438 3.821 22.472 851 HD2 PRO 116 1HD PRO 116 -21.663 2.706 21.046 852 HD3 PRO 116 2HD PRO 116 -20.329 3.614 20.362 853 H SER 117 H SER 117 -18.477 -1.722 21.419 854 HA SER 117 HA SER 117 -19.242 -3.616 22.167 855 HB2 SER 117 1HB SER 117 -19.948 -2.198 24.209 856 HB3 SER 117 2HB SER 117 -21.564 -2.200 23.532 857 HG SER 117 HG SER 117 -21.771 -4.050 24.597 858 H SER 118 H SER 118 -22.218 -1.576 21.628 859 HA SER 118 HA SER 118 -22.794 -2.821 19.201 860 HB2 SER 118 1HB SER 118 -24.943 -3.972 19.974 861 HB3 SER 118 2HB SER 118 -23.449 -4.786 20.392 862 HG SER 118 HG SER 118 -25.260 -4.375 22.103 863 H GLY 119 H GLY 119 -24.490 -1.541 22.163 864 HA2 GLY 119 1HA GLY 119 -26.027 0.091 22.398 865 HA3 GLY 119 2HA GLY 119 -24.988 0.999 21.318 Start of MODEL 2 1 H1 GLY 1 H GLY 1 20.141 -7.578 4.789 2 HA2 GLY 1 1HA GLY 1 18.340 -6.144 3.085 3 HA3 GLY 1 2HA GLY 1 19.865 -6.486 2.293 4 H SER 2 H SER 2 16.864 -7.828 3.558 5 HA SER 2 HA SER 2 17.616 -10.350 2.320 6 HB2 SER 2 1HB SER 2 17.141 -9.928 5.115 7 HB3 SER 2 2HB SER 2 15.767 -10.824 4.498 8 HG SER 2 HG SER 2 17.027 -12.544 4.609 9 H SER 3 H SER 3 15.794 -11.530 1.378 10 HA SER 3 HA SER 3 13.293 -10.067 1.394 11 HB2 SER 3 1HB SER 3 14.449 -9.265 -0.611 12 HB3 SER 3 2HB SER 3 14.821 -10.904 -1.109 13 HG SER 3 HG SER 3 12.339 -9.498 -1.198 14 H GLY 4 H GLY 4 11.524 -11.487 0.218 15 HA2 GLY 4 1HA GLY 4 11.937 -14.261 1.117 16 HA3 GLY 4 2HA GLY 4 10.401 -13.436 0.941 17 H SER 5 H SER 5 10.454 -15.849 -0.231 18 HA SER 5 HA SER 5 10.178 -16.939 -2.087 19 HB2 SER 5 1HB SER 5 9.094 -15.866 -3.880 20 HB3 SER 5 2HB SER 5 8.754 -14.802 -2.529 21 HG SER 5 HG SER 5 10.206 -14.309 -4.844 22 H SER 6 H SER 6 11.143 -17.421 -4.359 23 HA SER 6 HA SER 6 13.895 -16.453 -4.367 24 HB2 SER 6 1HB SER 6 13.208 -19.013 -3.908 25 HB3 SER 6 2HB SER 6 13.153 -19.069 -5.658 26 HG SER 6 HG SER 6 15.311 -19.330 -4.174 27 H GLY 7 H GLY 7 11.380 -17.987 -6.516 28 HA2 GLY 7 1HA GLY 7 10.524 -17.009 -8.445 29 HA3 GLY 7 2HA GLY 7 11.884 -15.906 -8.514 30 HA PRO 8 HA PRO 8 13.052 -20.134 -10.387 31 HB2 PRO 8 1HB PRO 8 11.000 -21.523 -11.539 32 HB3 PRO 8 2HB PRO 8 11.624 -21.885 -9.942 33 HG2 PRO 8 1HG PRO 8 9.110 -20.518 -10.683 34 HG3 PRO 8 2HG PRO 8 9.548 -21.259 -9.157 35 HD2 PRO 8 1HD PRO 8 9.504 -18.453 -9.753 36 HD3 PRO 8 2HD PRO 8 10.053 -19.200 -8.266 37 H GLN 9 H GLN 9 13.634 -20.703 -12.585 38 HA GLN 9 HA GLN 9 14.121 -20.038 -14.598 39 HB2 GLN 9 1HB GLN 9 11.138 -19.431 -14.610 40 HB3 GLN 9 2HB GLN 9 12.124 -19.318 -16.055 41 HG2 GLN 9 1HG GLN 9 12.501 -21.629 -16.159 42 HG3 GLN 9 2HG GLN 9 12.320 -21.849 -14.430 43 HE21 GLN 9 1HE2 GLN 9 10.273 -21.927 -13.491 44 HE22 GLN 9 2HE2 GLN 9 8.839 -22.271 -14.399 45 H LEU 10 H LEU 10 15.588 -18.340 -14.271 46 HA LEU 10 HA LEU 10 14.397 -15.666 -14.481 47 HB2 LEU 10 1HB LEU 10 16.107 -16.773 -12.402 48 HB3 LEU 10 2HB LEU 10 16.809 -15.347 -13.140 49 HG LEU 10 HG LEU 10 15.493 -14.814 -11.140 50 HD11 LEU 10 1HD1 LEU 10 15.621 -12.967 -12.508 51 HD12 LEU 10 2HD1 LEU 10 14.682 -13.728 -13.815 52 HD13 LEU 10 3HD1 LEU 10 13.859 -13.159 -12.342 53 HD21 LEU 10 1HD2 LEU 10 13.665 -16.683 -12.181 54 HD22 LEU 10 2HD2 LEU 10 13.521 -15.723 -10.689 55 HD23 LEU 10 3HD2 LEU 10 12.834 -15.109 -12.213 56 H VAL 11 H VAL 11 16.318 -14.052 -15.136 57 HA VAL 11 HA VAL 11 18.322 -15.237 -16.785 58 HB VAL 11 HB VAL 11 16.298 -15.514 -18.178 59 HG11 VAL 11 1HG1 VAL 11 14.946 -13.773 -18.895 60 HG12 VAL 11 2HG1 VAL 11 15.295 -13.291 -17.218 61 HG13 VAL 11 3HG1 VAL 11 16.180 -12.534 -18.564 62 HG21 VAL 11 1HG2 VAL 11 17.872 -13.408 -19.593 63 HG22 VAL 11 2HG2 VAL 11 18.757 -14.820 -18.967 64 HG23 VAL 11 3HG2 VAL 11 17.417 -15.048 -20.116 65 H ARG 12 H ARG 12 19.708 -13.514 -17.789 66 HA ARG 12 HA ARG 12 20.541 -11.722 -16.058 67 HB2 ARG 12 1HB ARG 12 20.648 -11.965 -19.009 68 HB3 ARG 12 2HB ARG 12 20.875 -10.315 -18.464 69 HG2 ARG 12 1HG ARG 12 22.608 -11.248 -16.787 70 HG3 ARG 12 2HG ARG 12 22.498 -12.766 -17.655 71 HD2 ARG 12 1HD ARG 12 23.721 -11.981 -19.430 72 HD3 ARG 12 2HD ARG 12 22.873 -10.448 -19.459 73 HE ARG 12 HE ARG 12 24.597 -9.518 -18.190 74 HH11 ARG 12 2HH2 ARG 12 24.650 -13.012 -17.776 75 HH12 ARG 12 1HH2 ARG 12 26.106 -13.007 -16.837 76 HH21 ARG 12 2HH1 ARG 12 26.517 -9.511 -16.951 77 HH22 ARG 12 1HH1 ARG 12 27.175 -11.002 -16.365 78 H THR 13 H THR 13 20.246 -9.407 -15.651 79 HA THR 13 HA THR 13 18.264 -7.885 -16.944 80 HB THR 13 HB THR 13 16.603 -9.281 -15.895 81 HG1 THR 13 1HG THR 13 16.278 -6.994 -15.514 82 HG21 THR 13 1HG2 THR 13 18.547 -9.234 -13.584 83 HG22 THR 13 2HG2 THR 13 16.809 -9.281 -13.200 84 HG23 THR 13 3HG2 THR 13 17.540 -10.575 -14.180 85 H HIS 14 H HIS 14 17.849 -5.782 -15.728 86 HA HIS 14 HA HIS 14 19.630 -5.155 -13.622 87 HB2 HIS 14 1HB HIS 14 20.700 -5.000 -16.260 88 HB3 HIS 14 2HB HIS 14 20.465 -3.358 -15.695 89 HD1 HIS 14 1HD HIS 14 22.921 -5.957 -15.661 90 HD2 HIS 14 2HD HIS 14 21.649 -3.088 -12.877 91 HE1 HIS 14 1HE HIS 14 24.804 -5.733 -13.955 92 H GLU 15 H GLU 15 17.588 -4.506 -12.725 93 HA GLU 15 HA GLU 15 16.220 -2.394 -14.130 94 HB2 GLU 15 1HB GLU 15 15.588 -4.250 -11.866 95 HB3 GLU 15 2HB GLU 15 14.810 -2.680 -11.819 96 HG2 GLU 15 1HG GLU 15 13.463 -3.144 -13.618 97 HG3 GLU 15 2HG GLU 15 14.748 -3.940 -14.505 98 H ASP 16 H ASP 16 16.471 -0.240 -13.671 99 HA ASP 16 HA ASP 16 18.456 0.519 -11.863 100 HB2 ASP 16 1HB ASP 16 17.614 1.740 -13.979 101 HB3 ASP 16 2HB ASP 16 16.261 2.295 -13.014 102 H VAL 17 H VAL 17 14.881 0.283 -11.792 103 HA VAL 17 HA VAL 17 14.711 1.663 -9.257 104 HB VAL 17 HB VAL 17 12.257 0.885 -9.568 105 HG11 VAL 17 1HG1 VAL 17 13.779 2.986 -11.060 106 HG12 VAL 17 2HG1 VAL 17 12.070 2.722 -11.483 107 HG13 VAL 17 3HG1 VAL 17 12.518 3.151 -9.815 108 HG21 VAL 17 1HG2 VAL 17 11.543 0.206 -11.698 109 HG22 VAL 17 2HG2 VAL 17 13.086 0.657 -12.464 110 HG23 VAL 17 3HG2 VAL 17 13.002 -0.770 -11.403 111 HA PRO 18 HA PRO 18 14.717 -1.887 -6.794 112 HB2 PRO 18 1HB PRO 18 12.870 -1.359 -4.849 113 HB3 PRO 18 2HB PRO 18 14.486 -0.679 -4.847 114 HG2 PRO 18 1HG PRO 18 11.923 0.633 -5.520 115 HG3 PRO 18 2HG PRO 18 13.457 1.370 -5.102 116 HD2 PRO 18 1HD PRO 18 12.320 1.146 -7.725 117 HD3 PRO 18 2HD PRO 18 13.904 1.778 -7.320 118 H GLY 19 H GLY 19 13.247 -3.596 -5.539 119 HA2 GLY 19 1HA GLY 19 11.330 -4.441 -7.620 120 HA3 GLY 19 2HA GLY 19 12.223 -5.503 -6.549 121 HA PRO 20 HA PRO 20 8.229 -4.987 -4.550 122 HB2 PRO 20 1HB PRO 20 7.847 -7.613 -3.897 123 HB3 PRO 20 2HB PRO 20 7.245 -6.897 -5.378 124 HG2 PRO 20 1HG PRO 20 9.552 -8.705 -4.998 125 HG3 PRO 20 2HG PRO 20 8.686 -8.325 -6.474 126 HD2 PRO 20 1HD PRO 20 11.250 -7.313 -5.680 127 HD3 PRO 20 2HD PRO 20 10.332 -6.846 -7.097 128 H VAL 21 H VAL 21 7.901 -4.338 -2.503 129 HA VAL 21 HA VAL 21 10.070 -4.421 -0.766 130 HB VAL 21 HB VAL 21 8.232 -3.809 0.932 131 HG11 VAL 21 1HG1 VAL 21 8.105 -1.540 0.075 132 HG12 VAL 21 2HG1 VAL 21 9.728 -2.204 -0.232 133 HG13 VAL 21 3HG1 VAL 21 8.545 -2.097 -1.557 134 HG21 VAL 21 1HG2 VAL 21 6.565 -4.792 -1.073 135 HG22 VAL 21 2HG2 VAL 21 6.072 -3.836 0.346 136 HG23 VAL 21 3HG2 VAL 21 6.404 -3.024 -1.203 137 H GLY 22 H GLY 22 9.909 -5.397 1.548 138 HA2 GLY 22 1HA GLY 22 10.265 -8.041 1.573 139 HA3 GLY 22 2HA GLY 22 9.578 -7.171 2.929 140 H HIS 23 H HIS 23 7.195 -6.971 3.100 141 HA HIS 23 HA HIS 23 5.593 -8.490 1.304 142 HB2 HIS 23 1HB HIS 23 5.150 -10.372 2.489 143 HB3 HIS 23 2HB HIS 23 6.803 -10.115 3.012 144 HD1 HIS 23 1HD HIS 23 3.362 -10.430 4.280 145 HD2 HIS 23 2HD HIS 23 6.998 -8.866 5.668 146 HE1 HIS 23 1HE HIS 23 3.106 -10.157 6.804 147 H LEU 24 H LEU 24 3.348 -8.029 1.582 148 HA LEU 24 HA LEU 24 2.879 -5.565 2.913 149 HB2 LEU 24 1HB LEU 24 1.454 -7.387 1.095 150 HB3 LEU 24 2HB LEU 24 0.419 -6.514 2.207 151 HG LEU 24 HG LEU 24 0.899 -5.504 -0.118 152 HD11 LEU 24 1HD1 LEU 24 -0.246 -3.938 0.982 153 HD12 LEU 24 2HD1 LEU 24 0.611 -4.255 2.510 154 HD13 LEU 24 3HD1 LEU 24 1.331 -3.173 1.294 155 HD21 LEU 24 1HD2 LEU 24 2.884 -4.445 -0.572 156 HD22 LEU 24 2HD2 LEU 24 3.318 -4.272 1.146 157 HD23 LEU 24 3HD2 LEU 24 3.461 -5.856 0.347 158 H SER 25 H SER 25 1.610 -5.131 4.760 159 HA SER 25 HA SER 25 0.726 -7.458 6.234 160 HB2 SER 25 1HB SER 25 2.314 -5.290 7.645 161 HB3 SER 25 2HB SER 25 1.882 -6.879 8.246 162 HG SER 25 HG SER 25 3.660 -6.414 6.006 163 H PHE 26 H PHE 26 -1.065 -7.010 7.641 164 HA PHE 26 HA PHE 26 -1.960 -4.227 7.673 165 HB2 PHE 26 1HB PHE 26 -3.610 -6.749 7.045 166 HB3 PHE 26 2HB PHE 26 -4.264 -5.125 7.130 167 HD1 PHE 26 2HD PHE 26 -2.260 -3.574 5.633 168 HD2 PHE 26 1HD PHE 26 -3.889 -7.411 4.839 169 HE1 PHE 26 2HE PHE 26 -1.803 -3.262 3.185 170 HE2 PHE 26 1HE PHE 26 -3.432 -7.099 2.391 171 HZ PHE 26 HZ PHE 26 -2.394 -5.028 1.593 172 H SER 27 H SER 27 -2.515 -3.583 9.703 173 HA SER 27 HA SER 27 -3.456 -5.652 11.509 174 HB2 SER 27 1HB SER 27 -2.046 -4.786 13.331 175 HB3 SER 27 2HB SER 27 -1.051 -5.311 11.988 176 HG SER 27 HG SER 27 -1.832 -2.605 11.875 177 H GLU 28 H GLU 28 -4.315 -4.464 13.651 178 HA GLU 28 HA GLU 28 -6.065 -3.310 14.322 179 HB2 GLU 28 1HB GLU 28 -4.141 -1.138 13.406 180 HB3 GLU 28 2HB GLU 28 -5.592 -0.772 14.319 181 HG2 GLU 28 1HG GLU 28 -3.375 -2.668 15.230 182 HG3 GLU 28 2HG GLU 28 -3.587 -1.022 15.794 183 H ILE 29 H ILE 29 -6.813 -4.355 11.919 184 HA ILE 29 HA ILE 29 -7.616 -2.311 10.091 185 HB ILE 29 HB ILE 29 -8.389 -5.226 10.261 186 HG12 ILE 29 1HG1 ILE 29 -6.041 -3.816 9.008 187 HG13 ILE 29 2HG1 ILE 29 -6.054 -5.228 10.046 188 HG21 ILE 29 1HG2 ILE 29 -9.290 -3.078 8.562 189 HG22 ILE 29 2HG2 ILE 29 -8.432 -4.308 7.604 190 HG23 ILE 29 3HG2 ILE 29 -9.814 -4.778 8.622 191 HD11 ILE 29 1HD1 ILE 29 -5.783 -6.303 8.020 192 HD12 ILE 29 2HD1 ILE 29 -7.560 -6.217 8.026 193 HD13 ILE 29 3HD1 ILE 29 -6.614 -5.020 7.109 194 H LEU 30 H LEU 30 -9.760 -1.576 9.665 195 HA LEU 30 HA LEU 30 -11.607 -2.085 11.894 196 HB2 LEU 30 1HB LEU 30 -11.346 0.504 10.369 197 HB3 LEU 30 2HB LEU 30 -12.334 0.188 11.782 198 HG LEU 30 HG LEU 30 -9.351 -0.131 11.959 199 HD11 LEU 30 1HD1 LEU 30 -9.362 2.006 11.033 200 HD12 LEU 30 2HD1 LEU 30 -10.877 2.463 11.849 201 HD13 LEU 30 3HD1 LEU 30 -9.371 2.312 12.787 202 HD21 LEU 30 1HD2 LEU 30 -10.319 1.040 14.272 203 HD22 LEU 30 2HD2 LEU 30 -11.625 -0.068 13.787 204 HD23 LEU 30 3HD2 LEU 30 -9.974 -0.689 14.025 205 H ASP 31 H ASP 31 -13.462 -0.199 10.218 206 HA ASP 31 HA ASP 31 -14.381 -2.376 8.529 207 HB2 ASP 31 1HB ASP 31 -16.521 -0.865 8.501 208 HB3 ASP 31 2HB ASP 31 -16.154 -1.776 9.952 209 H THR 32 H THR 32 -13.040 0.866 8.607 210 HA THR 32 HA THR 32 -13.053 0.970 5.715 211 HB THR 32 HB THR 32 -14.172 3.159 5.630 212 HG1 THR 32 1HG THR 32 -14.171 2.661 8.521 213 HG21 THR 32 1HG2 THR 32 -15.711 1.119 5.786 214 HG22 THR 32 2HG2 THR 32 -15.792 1.401 7.542 215 HG23 THR 32 3HG2 THR 32 -16.427 2.623 6.415 216 H SER 33 H SER 33 -11.130 0.592 7.988 217 HA SER 33 HA SER 33 -9.199 2.362 6.958 218 HB2 SER 33 1HB SER 33 -8.753 3.129 9.533 219 HB3 SER 33 2HB SER 33 -9.655 4.092 8.380 220 HG SER 33 HG SER 33 -10.902 3.904 10.277 221 H LEU 34 H LEU 34 -7.242 1.284 7.069 222 HA LEU 34 HA LEU 34 -6.815 -0.552 9.282 223 HB2 LEU 34 1HB LEU 34 -6.108 -2.341 7.731 224 HB3 LEU 34 2HB LEU 34 -7.829 -2.011 7.725 225 HG LEU 34 HG LEU 34 -7.326 -0.535 5.647 226 HD11 LEU 34 1HD1 LEU 34 -4.842 -2.272 5.680 227 HD12 LEU 34 2HD1 LEU 34 -5.394 -1.267 4.318 228 HD13 LEU 34 3HD1 LEU 34 -4.902 -0.501 5.847 229 HD21 LEU 34 1HD2 LEU 34 -8.219 -2.197 4.443 230 HD22 LEU 34 2HD2 LEU 34 -6.895 -3.324 4.827 231 HD23 LEU 34 3HD2 LEU 34 -8.233 -3.096 5.979 232 H LYS 35 H LYS 35 -4.533 -1.094 9.573 233 HA LYS 35 HA LYS 35 -2.869 1.059 8.533 234 HB2 LYS 35 1HB LYS 35 -3.124 0.485 11.027 235 HB3 LYS 35 2HB LYS 35 -2.140 -0.925 10.692 236 HG2 LYS 35 1HG LYS 35 -0.809 1.259 9.430 237 HG3 LYS 35 2HG LYS 35 -1.313 1.856 10.999 238 HD2 LYS 35 1HD LYS 35 0.759 0.887 11.518 239 HD3 LYS 35 2HD LYS 35 -0.341 -0.418 11.917 240 HE2 LYS 35 1HE LYS 35 0.554 -0.373 9.070 241 HE3 LYS 35 2HE LYS 35 1.830 -0.673 10.233 242 HZ1 LYS 35 1HZ LYS 35 -0.056 -2.264 11.156 243 HZ2 LYS 35 2HZ LYS 35 -0.440 -2.303 9.569 244 HZ3 LYS 35 3HZ LYS 35 1.054 -2.745 10.059 245 H VAL 36 H VAL 36 -1.338 0.749 6.992 246 HA VAL 36 HA VAL 36 -0.930 -2.021 6.136 247 HB VAL 36 HB VAL 36 -0.577 0.639 4.747 248 HG11 VAL 36 1HG1 VAL 36 0.294 -0.425 2.858 249 HG12 VAL 36 2HG1 VAL 36 1.139 -1.232 4.201 250 HG13 VAL 36 3HG1 VAL 36 -0.231 -2.037 3.399 251 HG21 VAL 36 1HG2 VAL 36 -2.848 -0.933 5.116 252 HG22 VAL 36 2HG2 VAL 36 -2.626 0.345 3.897 253 HG23 VAL 36 3HG2 VAL 36 -2.292 -1.352 3.478 254 H SER 37 H SER 37 1.152 -2.908 5.962 255 HA SER 37 HA SER 37 3.334 -1.182 6.744 256 HB2 SER 37 1HB SER 37 3.380 -2.022 8.845 257 HB3 SER 37 2HB SER 37 2.140 -3.202 8.469 258 HG SER 37 HG SER 37 3.789 -4.564 8.801 259 H TRP 38 H TRP 38 5.500 -2.242 6.281 260 HA TRP 38 HA TRP 38 5.503 -4.656 4.758 261 HB2 TRP 38 1HB TRP 38 6.342 -3.657 2.670 262 HB3 TRP 38 2HB TRP 38 4.660 -3.290 2.999 263 HD1 TRP 38 HD TRP 38 8.095 -1.556 2.811 264 HE1 TRP 38 1HE TRP 38 7.838 1.067 2.676 265 HE3 TRP 38 3HE TRP 38 3.083 -1.478 3.665 266 HZ2 TRP 38 2HZ TRP 38 5.616 2.840 2.936 267 HZ3 TRP 38 3HZ TRP 38 1.947 0.741 3.709 268 HH2 TRP 38 HH TRP 38 3.131 2.850 3.362 269 H GLN 39 H GLN 39 7.977 -4.459 3.547 270 HA GLN 39 HA GLN 39 9.700 -3.348 5.609 271 HB2 GLN 39 1HB GLN 39 9.546 -6.204 4.666 272 HB3 GLN 39 2HB GLN 39 11.126 -5.555 5.058 273 HG2 GLN 39 1HG GLN 39 9.765 -4.671 7.241 274 HG3 GLN 39 2HG GLN 39 8.779 -6.069 6.863 275 HE21 GLN 39 1HE2 GLN 39 10.415 -5.676 9.160 276 HE22 GLN 39 2HE2 GLN 39 11.627 -6.913 9.197 277 H GLU 40 H GLU 40 12.174 -3.714 4.697 278 HA GLU 40 HA GLU 40 12.129 -2.260 2.246 279 HB2 GLU 40 1HB GLU 40 14.004 -2.738 4.445 280 HB3 GLU 40 2HB GLU 40 14.808 -2.877 2.895 281 HG2 GLU 40 1HG GLU 40 14.017 -0.652 2.216 282 HG3 GLU 40 2HG GLU 40 13.018 -0.521 3.650 283 HA PRO 41 HA PRO 41 12.799 -5.759 -0.259 284 HB2 PRO 41 1HB PRO 41 13.323 -4.500 -2.628 285 HB3 PRO 41 2HB PRO 41 11.700 -4.784 -2.032 286 HG2 PRO 41 1HG PRO 41 13.239 -2.260 -2.088 287 HG3 PRO 41 2HG PRO 41 11.511 -2.488 -1.903 288 HD2 PRO 41 1HD PRO 41 13.388 -1.850 0.169 289 HD3 PRO 41 2HD PRO 41 11.682 -2.192 0.370 290 H GLY 42 H GLY 42 14.379 -7.080 -1.258 291 HA2 GLY 42 1HA GLY 42 17.025 -6.344 -0.332 292 HA3 GLY 42 2HA GLY 42 16.516 -7.867 -1.035 293 H GLU 43 H GLU 43 15.172 -5.654 -3.096 294 HA GLU 43 HA GLU 43 17.582 -5.639 -4.739 295 HB2 GLU 43 1HB GLU 43 15.520 -5.296 -6.532 296 HB3 GLU 43 2HB GLU 43 16.267 -6.836 -6.156 297 HG2 GLU 43 1HG GLU 43 14.556 -7.082 -4.254 298 HG3 GLU 43 2HG GLU 43 13.745 -5.668 -4.898 299 H LYS 44 H LYS 44 17.087 -3.609 -2.777 300 HA LYS 44 HA LYS 44 15.682 -1.426 -3.428 301 HB2 LYS 44 1HB LYS 44 18.510 -1.571 -2.348 302 HB3 LYS 44 2HB LYS 44 17.542 -0.111 -2.359 303 HG2 LYS 44 1HG LYS 44 15.730 -1.453 -1.102 304 HG3 LYS 44 2HG LYS 44 16.926 -2.718 -0.903 305 HD2 LYS 44 1HD LYS 44 18.453 -1.090 0.238 306 HD3 LYS 44 2HD LYS 44 17.250 0.169 0.045 307 HE2 LYS 44 1HE LYS 44 15.963 -0.615 1.775 308 HE3 LYS 44 2HE LYS 44 16.165 -2.289 1.300 309 HZ1 LYS 44 1HZ LYS 44 17.998 -2.495 2.563 310 HZ2 LYS 44 2HZ LYS 44 18.492 -0.951 2.367 311 HZ3 LYS 44 3HZ LYS 44 17.296 -1.297 3.423 312 H ASN 45 H ASN 45 18.476 -2.745 -5.163 313 HA ASN 45 HA ASN 45 19.607 -2.034 -6.895 314 HB2 ASN 45 1HB ASN 45 16.709 -1.483 -7.600 315 HB3 ASN 45 2HB ASN 45 17.947 -1.015 -8.748 316 HD21 ASN 45 1HD2 ASN 45 16.035 -3.506 -7.535 317 HD22 ASN 45 2HD2 ASN 45 16.753 -4.860 -8.341 318 H GLY 46 H GLY 46 19.443 -0.055 -4.713 319 HA2 GLY 46 1HA GLY 46 20.729 2.086 -5.425 320 HA3 GLY 46 2HA GLY 46 19.172 2.518 -6.104 321 H ILE 47 H ILE 47 19.960 4.274 -4.279 322 HA ILE 47 HA ILE 47 19.213 3.469 -1.626 323 HB ILE 47 HB ILE 47 20.127 6.039 -2.893 324 HG12 ILE 47 1HG1 ILE 47 21.925 4.540 -2.582 325 HG13 ILE 47 2HG1 ILE 47 22.021 5.687 -1.260 326 HG21 ILE 47 1HG2 ILE 47 20.195 6.427 -0.139 327 HG22 ILE 47 2HG2 ILE 47 19.087 7.194 -1.302 328 HG23 ILE 47 3HG2 ILE 47 18.593 5.714 -0.444 329 HD11 ILE 47 1HD1 ILE 47 20.487 3.867 -0.018 330 HD12 ILE 47 2HD1 ILE 47 21.245 2.781 -1.207 331 HD13 ILE 47 3HD1 ILE 47 22.259 3.705 -0.072 332 H LEU 48 H LEU 48 17.156 3.313 -0.931 333 HA LEU 48 HA LEU 48 15.003 4.149 -2.519 334 HB2 LEU 48 1HB LEU 48 15.031 3.441 0.417 335 HB3 LEU 48 2HB LEU 48 13.631 3.470 -0.637 336 HG LEU 48 HG LEU 48 16.001 1.603 -0.942 337 HD11 LEU 48 1HD1 LEU 48 14.617 1.215 1.105 338 HD12 LEU 48 2HD1 LEU 48 13.216 0.940 0.043 339 HD13 LEU 48 3HD1 LEU 48 14.628 -0.140 -0.049 340 HD21 LEU 48 1HD2 LEU 48 13.494 2.021 -2.539 341 HD22 LEU 48 2HD2 LEU 48 15.168 1.760 -3.087 342 HD23 LEU 48 3HD2 LEU 48 14.224 0.401 -2.431 343 H THR 49 H THR 49 13.939 6.062 -2.695 344 HA THR 49 HA THR 49 14.822 8.197 -0.881 345 HB THR 49 HB THR 49 13.796 9.607 -2.818 346 HG1 THR 49 1HG THR 49 13.005 8.343 -4.470 347 HG21 THR 49 1HG2 THR 49 16.142 7.708 -3.327 348 HG22 THR 49 2HG2 THR 49 15.700 9.033 -4.431 349 HG23 THR 49 3HG2 THR 49 16.233 9.396 -2.772 350 H GLY 50 H GLY 50 12.254 6.014 -1.421 351 HA2 GLY 50 1HA GLY 50 10.698 6.822 0.659 352 HA3 GLY 50 2HA GLY 50 10.108 7.781 -0.683 353 H TYR 51 H TYR 51 8.161 6.273 0.105 354 HA TYR 51 HA TYR 51 8.175 3.980 -1.729 355 HB2 TYR 51 1HB TYR 51 7.079 4.278 1.137 356 HB3 TYR 51 2HB TYR 51 6.751 2.885 0.126 357 HD1 TYR 51 1HD TYR 51 8.818 1.540 -0.731 358 HD2 TYR 51 2HD TYR 51 8.958 4.296 2.539 359 HE1 TYR 51 1HE TYR 51 10.939 0.428 0.126 360 HE2 TYR 51 2HE TYR 51 11.077 3.174 3.384 361 HH TYR 51 HH TYR 51 12.224 0.198 1.981 362 H ARG 52 H ARG 52 6.378 3.817 -3.025 363 HA ARG 52 HA ARG 52 4.385 5.871 -2.568 364 HB2 ARG 52 1HB ARG 52 5.752 5.371 -4.842 365 HB3 ARG 52 2HB ARG 52 4.464 4.209 -5.090 366 HG2 ARG 52 1HG ARG 52 2.938 6.330 -4.373 367 HG3 ARG 52 2HG ARG 52 4.322 7.213 -4.986 368 HD2 ARG 52 1HD ARG 52 2.982 4.987 -6.584 369 HD3 ARG 52 2HD ARG 52 2.463 6.657 -6.693 370 HE ARG 52 HE ARG 52 5.328 6.462 -7.057 371 HH11 ARG 52 2HH2 ARG 52 2.267 5.932 -8.711 372 HH12 ARG 52 1HH2 ARG 52 2.936 6.160 -10.292 373 HH21 ARG 52 2HH1 ARG 52 6.211 6.762 -9.143 374 HH22 ARG 52 1HH1 ARG 52 5.194 6.635 -10.540 375 H ILE 53 H ILE 53 2.577 5.155 -1.479 376 HA ILE 53 HA ILE 53 1.807 2.356 -1.861 377 HB ILE 53 HB ILE 53 2.290 3.002 0.417 378 HG12 ILE 53 1HG1 ILE 53 -0.613 2.453 -0.224 379 HG13 ILE 53 2HG1 ILE 53 0.642 1.300 0.182 380 HG21 ILE 53 1HG2 ILE 53 1.810 4.998 1.252 381 HG22 ILE 53 2HG2 ILE 53 1.053 5.443 -0.296 382 HG23 ILE 53 3HG2 ILE 53 0.070 4.723 1.000 383 HD11 ILE 53 1HD1 ILE 53 -1.039 2.937 1.962 384 HD12 ILE 53 2HD1 ILE 53 -0.113 1.460 2.321 385 HD13 ILE 53 3HD1 ILE 53 0.691 3.047 2.363 386 H SER 54 H SER 54 -0.390 1.808 -2.353 387 HA SER 54 HA SER 54 -2.144 3.983 -2.988 388 HB2 SER 54 1HB SER 54 -2.342 2.396 -5.307 389 HB3 SER 54 2HB SER 54 -1.695 4.021 -5.201 390 HG SER 54 HG SER 54 -0.221 2.401 -6.162 391 H TRP 55 H TRP 55 -4.056 3.345 -2.069 392 HA TRP 55 HA TRP 55 -4.575 0.466 -1.917 393 HB2 TRP 55 1HB TRP 55 -6.063 0.968 -0.107 394 HB3 TRP 55 2HB TRP 55 -4.491 1.678 0.204 395 HD1 TRP 55 HD TRP 55 -7.958 2.886 -1.143 396 HE1 TRP 55 1HE TRP 55 -8.414 5.380 -0.411 397 HE3 TRP 55 3HE TRP 55 -3.456 3.600 1.109 398 HZ2 TRP 55 2HZ TRP 55 -6.875 7.328 0.997 399 HZ3 TRP 55 3HZ TRP 55 -3.012 5.827 2.138 400 HH2 TRP 55 HH TRP 55 -4.635 7.655 2.107 401 H GLU 56 H GLU 56 -6.569 -0.376 -2.717 402 HA GLU 56 HA GLU 56 -8.517 1.373 -3.770 403 HB2 GLU 56 1HB GLU 56 -8.307 0.816 -6.137 404 HB3 GLU 56 2HB GLU 56 -6.801 1.517 -5.580 405 HG2 GLU 56 1HG GLU 56 -5.623 -0.449 -5.838 406 HG3 GLU 56 2HG GLU 56 -6.961 -1.448 -5.306 407 H GLU 57 H GLU 57 -10.484 0.236 -4.293 408 HA GLU 57 HA GLU 57 -10.979 -1.973 -2.835 409 HB2 GLU 57 1HB GLU 57 -12.315 -0.518 -5.027 410 HB3 GLU 57 2HB GLU 57 -12.776 -2.208 -4.963 411 HG2 GLU 57 1HG GLU 57 -12.677 -0.876 -2.303 412 HG3 GLU 57 2HG GLU 57 -13.874 -0.205 -3.393 413 H TYR 58 H TYR 58 -11.925 -4.158 -3.927 414 HA TYR 58 HA TYR 58 -9.772 -5.644 -4.734 415 HB2 TYR 58 1HB TYR 58 -11.840 -6.657 -3.925 416 HB3 TYR 58 2HB TYR 58 -12.813 -5.768 -5.080 417 HD1 TYR 58 1HD TYR 58 -9.944 -8.200 -5.197 418 HD2 TYR 58 2HD TYR 58 -13.742 -7.029 -6.781 419 HE1 TYR 58 1HE TYR 58 -9.910 -10.195 -6.772 420 HE2 TYR 58 2HE TYR 58 -13.696 -9.028 -8.350 421 HH TYR 58 HH TYR 58 -10.923 -11.255 -8.351 422 H ASN 59 H ASN 59 -12.500 -4.549 -6.884 423 HA ASN 59 HA ASN 59 -10.519 -4.388 -9.004 424 HB2 ASN 59 1HB ASN 59 -12.322 -6.462 -8.899 425 HB3 ASN 59 2HB ASN 59 -13.288 -5.281 -9.761 426 HD21 ASN 59 1HD2 ASN 59 -10.891 -7.623 -9.964 427 HD22 ASN 59 2HD2 ASN 59 -10.329 -7.349 -11.579 428 H ARG 60 H ARG 60 -11.084 -2.089 -7.784 429 HA ARG 60 HA ARG 60 -12.806 -0.766 -9.643 430 HB2 ARG 60 1HB ARG 60 -13.295 -0.246 -6.685 431 HB3 ARG 60 2HB ARG 60 -14.300 0.222 -8.042 432 HG2 ARG 60 1HG ARG 60 -14.826 -2.181 -8.488 433 HG3 ARG 60 2HG ARG 60 -13.810 -2.658 -7.142 434 HD2 ARG 60 1HD ARG 60 -15.365 -2.018 -5.558 435 HD3 ARG 60 2HD ARG 60 -15.875 -0.610 -6.469 436 HE ARG 60 HE ARG 60 -16.986 -3.326 -6.667 437 HH11 ARG 60 2HH2 ARG 60 -16.700 -0.179 -8.215 438 HH12 ARG 60 1HH2 ARG 60 -18.116 -0.387 -9.191 439 HH21 ARG 60 2HH1 ARG 60 -18.854 -3.602 -7.954 440 HH22 ARG 60 1HH1 ARG 60 -19.350 -2.348 -9.041 441 H THR 61 H THR 61 -10.762 0.201 -10.301 442 HA THR 61 HA THR 61 -8.977 1.412 -8.521 443 HB THR 61 HB THR 61 -9.610 1.801 -11.489 444 HG1 THR 61 1HG THR 61 -7.651 0.421 -9.796 445 HG21 THR 61 1HG2 THR 61 -7.200 2.657 -11.551 446 HG22 THR 61 2HG2 THR 61 -8.353 3.788 -10.803 447 HG23 THR 61 3HG2 THR 61 -7.277 2.806 -9.779 448 H ASN 62 H ASN 62 -12.129 2.411 -9.663 449 HA ASN 62 HA ASN 62 -11.947 5.090 -9.637 450 HB2 ASN 62 1HB ASN 62 -14.084 3.115 -8.855 451 HB3 ASN 62 2HB ASN 62 -14.361 4.781 -8.390 452 HD21 ASN 62 1HD2 ASN 62 -16.065 5.039 -9.786 453 HD22 ASN 62 2HD2 ASN 62 -15.892 5.174 -11.504 454 H THR 63 H THR 63 -11.586 2.808 -6.978 455 HA THR 63 HA THR 63 -11.681 5.016 -5.031 456 HB THR 63 HB THR 63 -12.401 3.396 -3.435 457 HG1 THR 63 1HG THR 63 -11.537 1.458 -5.465 458 HG21 THR 63 1HG2 THR 63 -14.162 2.014 -4.502 459 HG22 THR 63 2HG2 THR 63 -14.177 3.646 -5.211 460 HG23 THR 63 3HG2 THR 63 -13.435 2.296 -6.102 461 H ARG 64 H ARG 64 -9.453 4.663 -6.840 462 HA ARG 64 HA ARG 64 -7.489 3.427 -5.125 463 HB2 ARG 64 1HB ARG 64 -7.664 3.144 -7.734 464 HB3 ARG 64 2HB ARG 64 -6.936 4.735 -7.819 465 HG2 ARG 64 1HG ARG 64 -5.436 3.142 -5.919 466 HG3 ARG 64 2HG ARG 64 -5.629 2.212 -7.392 467 HD2 ARG 64 1HD ARG 64 -5.008 4.764 -8.361 468 HD3 ARG 64 2HD ARG 64 -4.029 4.657 -6.912 469 HE ARG 64 HE ARG 64 -3.575 2.216 -8.111 470 HH11 ARG 64 2HH2 ARG 64 -3.393 5.533 -9.273 471 HH12 ARG 64 1HH2 ARG 64 -2.152 5.193 -10.433 472 HH21 ARG 64 2HH1 ARG 64 -1.938 1.768 -9.641 473 HH22 ARG 64 1HH1 ARG 64 -1.319 3.037 -10.644 474 H VAL 65 H VAL 65 -5.418 4.643 -4.656 475 HA VAL 65 HA VAL 65 -5.652 7.533 -4.870 476 HB VAL 65 HB VAL 65 -6.737 6.763 -2.732 477 HG11 VAL 65 1HG1 VAL 65 -5.596 5.028 -1.791 478 HG12 VAL 65 2HG1 VAL 65 -4.013 5.609 -2.361 479 HG13 VAL 65 3HG1 VAL 65 -4.779 6.361 -0.941 480 HG21 VAL 65 1HG2 VAL 65 -5.978 8.618 -1.543 481 HG22 VAL 65 2HG2 VAL 65 -4.302 8.426 -2.110 482 HG23 VAL 65 3HG2 VAL 65 -5.553 9.031 -3.222 483 H THR 66 H THR 66 -3.543 8.611 -4.338 484 HA THR 66 HA THR 66 -1.282 6.748 -4.571 485 HB THR 66 HB THR 66 -1.781 9.290 -6.209 486 HG1 THR 66 1HG THR 66 -1.697 6.395 -6.681 487 HG21 THR 66 1HG2 THR 66 0.655 7.800 -5.612 488 HG22 THR 66 2HG2 THR 66 0.222 7.582 -7.325 489 HG23 THR 66 3HG2 THR 66 0.456 9.219 -6.668 490 H HIS 67 H HIS 67 -0.315 6.910 -2.632 491 HA HIS 67 HA HIS 67 0.084 9.639 -1.641 492 HB2 HIS 67 1HB HIS 67 -0.641 7.092 -0.302 493 HB3 HIS 67 2HB HIS 67 0.532 8.087 0.538 494 HD1 HIS 67 1HD HIS 67 -0.776 10.883 -0.408 495 HD2 HIS 67 2HD HIS 67 -2.759 7.672 1.423 496 HE1 HIS 67 1HE HIS 67 -2.857 11.864 0.695 497 H TYR 68 H TYR 68 2.172 9.909 -0.350 498 HA TYR 68 HA TYR 68 4.271 8.151 -1.413 499 HB2 TYR 68 1HB TYR 68 4.055 11.219 -1.235 500 HB3 TYR 68 2HB TYR 68 5.573 10.409 -1.565 501 HD1 TYR 68 1HD TYR 68 5.656 8.857 -3.654 502 HD2 TYR 68 2HD TYR 68 2.612 11.790 -2.997 503 HE1 TYR 68 1HE TYR 68 5.106 8.852 -6.136 504 HE2 TYR 68 2HE TYR 68 2.072 11.776 -5.481 505 HH TYR 68 HH TYR 68 3.587 11.160 -7.648 506 H LEU 69 H LEU 69 5.948 7.677 0.012 507 HA LEU 69 HA LEU 69 5.892 9.084 2.577 508 HB2 LEU 69 1HB LEU 69 6.192 6.096 2.395 509 HB3 LEU 69 2HB LEU 69 5.965 7.085 3.824 510 HG LEU 69 HG LEU 69 3.846 6.882 1.681 511 HD11 LEU 69 1HD1 LEU 69 2.860 5.247 3.558 512 HD12 LEU 69 2HD1 LEU 69 3.825 4.671 2.178 513 HD13 LEU 69 3HD1 LEU 69 4.594 4.901 3.767 514 HD21 LEU 69 1HD2 LEU 69 2.353 7.472 3.594 515 HD22 LEU 69 2HD2 LEU 69 3.807 7.709 4.593 516 HD23 LEU 69 3HD2 LEU 69 3.531 8.735 3.165 517 HA PRO 70 HA PRO 70 10.179 9.079 2.095 518 HB2 PRO 70 1HB PRO 70 11.098 9.069 4.669 519 HB3 PRO 70 2HB PRO 70 10.480 10.505 3.877 520 HG2 PRO 70 1HG PRO 70 9.186 8.820 5.932 521 HG3 PRO 70 2HG PRO 70 8.790 10.456 5.446 522 HD2 PRO 70 1HD PRO 70 7.378 8.065 4.729 523 HD3 PRO 70 2HD PRO 70 7.054 9.687 4.151 524 H ASN 71 H ASN 71 12.376 8.037 2.859 525 HA ASN 71 HA ASN 71 11.874 5.256 2.398 526 HB2 ASN 71 1HB ASN 71 14.394 5.134 2.254 527 HB3 ASN 71 2HB ASN 71 13.713 6.329 1.168 528 HD21 ASN 71 1HD2 ASN 71 16.349 5.992 2.593 529 HD22 ASN 71 2HD2 ASN 71 16.664 7.512 3.360 530 H VAL 72 H VAL 72 11.180 6.659 5.031 531 HA VAL 72 HA VAL 72 12.915 5.064 6.789 532 HB VAL 72 HB VAL 72 12.491 6.735 8.514 533 HG11 VAL 72 1HG1 VAL 72 13.807 8.610 7.512 534 HG12 VAL 72 2HG1 VAL 72 14.500 7.000 7.201 535 HG13 VAL 72 3HG1 VAL 72 13.603 7.846 5.917 536 HG21 VAL 72 1HG2 VAL 72 10.882 8.278 8.389 537 HG22 VAL 72 2HG2 VAL 72 11.504 8.885 6.836 538 HG23 VAL 72 3HG2 VAL 72 10.358 7.523 6.865 539 H THR 73 H THR 73 9.654 6.027 5.772 540 HA THR 73 HA THR 73 8.484 4.362 7.875 541 HB THR 73 HB THR 73 7.453 6.454 5.908 542 HG1 THR 73 1HG THR 73 7.242 6.016 8.799 543 HG21 THR 73 1HG2 THR 73 5.746 4.587 6.105 544 HG22 THR 73 2HG2 THR 73 5.817 4.769 7.874 545 HG23 THR 73 3HG2 THR 73 5.207 6.103 6.866 546 H LEU 74 H LEU 74 7.193 2.553 7.474 547 HA LEU 74 HA LEU 74 7.158 1.631 4.703 548 HB2 LEU 74 1HB LEU 74 7.873 -0.301 6.869 549 HB3 LEU 74 2HB LEU 74 8.131 -0.414 5.139 550 HG LEU 74 HG LEU 74 9.591 1.777 6.505 551 HD11 LEU 74 1HD1 LEU 74 10.546 -1.067 6.880 552 HD12 LEU 74 2HD1 LEU 74 11.236 0.431 7.549 553 HD13 LEU 74 3HD1 LEU 74 9.661 -0.160 8.129 554 HD21 LEU 74 1HD2 LEU 74 10.820 1.679 4.659 555 HD22 LEU 74 2HD2 LEU 74 11.153 -0.053 4.898 556 HD23 LEU 74 3HD2 LEU 74 9.682 0.459 4.038 557 H GLU 75 H GLU 75 5.356 2.741 7.067 558 HA GLU 75 HA GLU 75 3.246 0.868 6.466 559 HB2 GLU 75 1HB GLU 75 2.561 0.628 8.807 560 HB3 GLU 75 2HB GLU 75 4.211 0.069 8.616 561 HG2 GLU 75 1HG GLU 75 4.045 2.959 9.238 562 HG3 GLU 75 2HG GLU 75 3.330 1.955 10.484 563 H TYR 76 H TYR 76 1.114 1.817 6.615 564 HA TYR 76 HA TYR 76 0.910 4.557 7.496 565 HB2 TYR 76 1HB TYR 76 1.800 4.666 5.130 566 HB3 TYR 76 2HB TYR 76 0.536 3.575 4.598 567 HD1 TYR 76 2HD TYR 76 -1.844 4.355 4.536 568 HD2 TYR 76 1HD TYR 76 1.390 7.018 5.401 569 HE1 TYR 76 2HE TYR 76 -3.341 6.347 4.033 570 HE2 TYR 76 1HE TYR 76 -0.118 9.002 4.894 571 HH TYR 76 HH TYR 76 -2.054 9.542 3.752 572 H ARG 77 H ARG 77 -1.270 5.214 7.836 573 HA ARG 77 HA ARG 77 -3.035 2.957 7.990 574 HB2 ARG 77 1HB ARG 77 -2.974 4.334 9.971 575 HB3 ARG 77 2HB ARG 77 -3.133 5.814 9.046 576 HG2 ARG 77 1HG ARG 77 -5.436 5.480 8.636 577 HG3 ARG 77 2HG ARG 77 -5.333 3.746 8.867 578 HD2 ARG 77 1HD ARG 77 -6.123 4.115 10.973 579 HD3 ARG 77 2HD ARG 77 -4.526 4.724 11.357 580 HE ARG 77 HE ARG 77 -6.098 6.802 10.114 581 HH11 ARG 77 2HH2 ARG 77 -5.727 5.057 13.148 582 HH12 ARG 77 1HH2 ARG 77 -6.353 6.351 14.116 583 HH21 ARG 77 2HH1 ARG 77 -6.922 8.509 11.391 584 HH22 ARG 77 1HH1 ARG 77 -7.037 8.327 13.109 585 H VAL 78 H VAL 78 -4.741 2.600 6.576 586 HA VAL 78 HA VAL 78 -5.166 4.639 4.531 587 HB VAL 78 HB VAL 78 -5.926 1.716 4.700 588 HG11 VAL 78 1HG1 VAL 78 -6.351 2.114 2.172 589 HG12 VAL 78 2HG1 VAL 78 -7.592 2.632 3.339 590 HG13 VAL 78 3HG1 VAL 78 -6.488 3.831 2.622 591 HG21 VAL 78 1HG2 VAL 78 -3.511 2.105 4.435 592 HG22 VAL 78 2HG2 VAL 78 -4.223 1.393 2.967 593 HG23 VAL 78 3HG2 VAL 78 -3.830 3.129 3.014 594 H THR 79 H THR 79 -7.263 5.450 4.040 595 HA THR 79 HA THR 79 -9.434 4.670 5.810 596 HB THR 79 HB THR 79 -9.769 7.044 6.529 597 HG1 THR 79 1HG THR 79 -8.570 7.781 4.514 598 HG21 THR 79 1HG2 THR 79 -8.243 5.598 7.949 599 HG22 THR 79 2HG2 THR 79 -6.865 6.176 6.980 600 HG23 THR 79 3HG2 THR 79 -7.793 7.320 7.980 601 H GLY 80 H GLY 80 -11.525 5.299 5.048 602 HA2 GLY 80 1HA GLY 80 -12.946 6.266 3.476 603 HA3 GLY 80 2HA GLY 80 -11.598 6.518 2.384 604 H LEU 81 H LEU 81 -12.025 3.423 4.097 605 HA LEU 81 HA LEU 81 -12.406 2.151 1.508 606 HB2 LEU 81 1HB LEU 81 -11.936 0.786 4.147 607 HB3 LEU 81 2HB LEU 81 -11.668 0.163 2.531 608 HG LEU 81 HG LEU 81 -10.099 2.524 3.557 609 HD11 LEU 81 1HD1 LEU 81 -8.542 0.147 3.780 610 HD12 LEU 81 2HD1 LEU 81 -9.005 1.306 5.050 611 HD13 LEU 81 3HD1 LEU 81 -10.052 -0.089 4.693 612 HD21 LEU 81 1HD2 LEU 81 -8.872 0.522 1.772 613 HD22 LEU 81 2HD2 LEU 81 -10.241 1.421 1.075 614 HD23 LEU 81 3HD2 LEU 81 -8.833 2.301 1.716 615 H THR 82 H THR 82 -13.606 -0.238 3.004 616 HA THR 82 HA THR 82 -16.188 0.781 3.826 617 HB THR 82 HB THR 82 -15.840 -0.961 1.328 618 HG1 THR 82 1HG THR 82 -16.839 1.108 0.462 619 HG21 THR 82 1HG2 THR 82 -18.335 0.368 2.505 620 HG22 THR 82 2HG2 THR 82 -18.262 -0.661 1.055 621 HG23 THR 82 3HG2 THR 82 -17.975 -1.368 2.663 622 H ALA 83 H ALA 83 -17.444 -0.742 4.980 623 HA ALA 83 HA ALA 83 -15.925 -2.564 6.446 624 HB1 ALA 83 1HB ALA 83 -17.878 -2.874 7.640 625 HB2 ALA 83 2HB ALA 83 -18.269 -1.341 6.823 626 HB3 ALA 83 3HB ALA 83 -18.899 -2.877 6.182 627 H LEU 84 H LEU 84 -15.569 -4.773 6.279 628 HA LEU 84 HA LEU 84 -15.099 -6.576 5.026 629 HB2 LEU 84 1HB LEU 84 -18.115 -6.581 4.854 630 HB3 LEU 84 2HB LEU 84 -17.062 -7.971 4.675 631 HG LEU 84 HG LEU 84 -17.402 -6.325 7.197 632 HD11 LEU 84 1HD1 LEU 84 -18.967 -7.764 7.920 633 HD12 LEU 84 2HD1 LEU 84 -19.190 -8.110 6.188 634 HD13 LEU 84 3HD1 LEU 84 -18.167 -9.173 7.184 635 HD21 LEU 84 1HD2 LEU 84 -15.120 -7.300 6.879 636 HD22 LEU 84 2HD2 LEU 84 -15.991 -7.901 8.311 637 HD23 LEU 84 3HD2 LEU 84 -15.872 -8.914 6.853 638 H THR 85 H THR 85 -14.258 -4.768 3.395 639 HA THR 85 HA THR 85 -15.521 -5.424 0.821 640 HB THR 85 HB THR 85 -14.683 -2.723 1.966 641 HG1 THR 85 1HG THR 85 -16.951 -3.900 0.516 642 HG21 THR 85 1HG2 THR 85 -13.838 -3.254 -0.506 643 HG22 THR 85 2HG2 THR 85 -15.567 -3.130 -0.908 644 HG23 THR 85 3HG2 THR 85 -14.720 -1.741 -0.187 645 H THR 86 H THR 86 -14.177 -6.553 -0.421 646 HA THR 86 HA THR 86 -11.489 -6.944 0.238 647 HB THR 86 HB THR 86 -12.968 -7.322 -2.420 648 HG1 THR 86 1HG THR 86 -13.229 -9.490 -1.349 649 HG21 THR 86 1HG2 THR 86 -10.481 -7.678 -2.577 650 HG22 THR 86 2HG2 THR 86 -10.574 -8.784 -1.186 651 HG23 THR 86 3HG2 THR 86 -11.377 -9.210 -2.716 652 H TYR 87 H TYR 87 -9.804 -5.612 0.157 653 HA TYR 87 HA TYR 87 -9.806 -3.619 -2.008 654 HB2 TYR 87 1HB TYR 87 -9.472 -3.524 0.983 655 HB3 TYR 87 2HB TYR 87 -8.252 -2.622 0.107 656 HD1 TYR 87 2HD TYR 87 -8.999 -0.789 -1.500 657 HD2 TYR 87 1HD TYR 87 -11.660 -2.653 1.285 658 HE1 TYR 87 2HE TYR 87 -10.614 1.162 -1.725 659 HE2 TYR 87 1HE TYR 87 -13.265 -0.695 1.050 660 HH TYR 87 HH TYR 87 -13.216 1.390 -1.402 661 H THR 88 H THR 88 -7.604 -2.878 -2.646 662 HA THR 88 HA THR 88 -5.558 -4.907 -2.046 663 HB THR 88 HB THR 88 -6.730 -3.977 -4.659 664 HG1 THR 88 1HG THR 88 -5.246 -6.323 -3.712 665 HG21 THR 88 1HG2 THR 88 -3.848 -4.969 -4.417 666 HG22 THR 88 2HG2 THR 88 -4.698 -4.457 -5.895 667 HG23 THR 88 3HG2 THR 88 -4.248 -3.252 -4.665 668 H ILE 89 H ILE 89 -3.895 -4.022 -1.009 669 HA ILE 89 HA ILE 89 -3.416 -1.172 -1.468 670 HB ILE 89 HB ILE 89 -2.300 -2.881 0.745 671 HG12 ILE 89 1HG1 ILE 89 -4.601 -3.178 1.065 672 HG13 ILE 89 2HG1 ILE 89 -4.176 -1.851 2.128 673 HG21 ILE 89 1HG2 ILE 89 -2.281 -0.004 0.038 674 HG22 ILE 89 2HG2 ILE 89 -2.551 -0.394 1.753 675 HG23 ILE 89 3HG2 ILE 89 -1.090 -0.984 0.925 676 HD11 ILE 89 1HD1 ILE 89 -4.778 -0.521 -0.240 677 HD12 ILE 89 2HD1 ILE 89 -5.941 -1.868 -0.241 678 HD13 ILE 89 3HD1 ILE 89 -5.894 -0.735 1.131 679 H GLU 90 H GLU 90 -1.847 -0.643 -2.881 680 HA GLU 90 HA GLU 90 0.185 -2.665 -3.363 681 HB2 GLU 90 1HB GLU 90 -0.425 -0.199 -5.044 682 HB3 GLU 90 2HB GLU 90 0.563 -1.570 -5.505 683 HG2 GLU 90 1HG GLU 90 -1.256 -2.715 -6.229 684 HG3 GLU 90 2HG GLU 90 -2.043 -2.539 -4.673 685 H VAL 91 H VAL 91 2.171 -2.380 -2.451 686 HA VAL 91 HA VAL 91 2.886 0.366 -1.690 687 HB VAL 91 HB VAL 91 3.631 -2.313 -0.504 688 HG11 VAL 91 1HG1 VAL 91 4.464 0.172 0.880 689 HG12 VAL 91 2HG1 VAL 91 5.302 -1.389 0.711 690 HG13 VAL 91 3HG1 VAL 91 5.345 -0.207 -0.619 691 HG21 VAL 91 1HG2 VAL 91 2.136 0.035 0.709 692 HG22 VAL 91 2HG2 VAL 91 1.372 -1.435 0.059 693 HG23 VAL 91 3HG2 VAL 91 2.452 -1.542 1.470 694 H ALA 92 H ALA 92 4.371 1.289 -2.996 695 HA ALA 92 HA ALA 92 6.248 -0.525 -4.348 696 HB1 ALA 92 1HB ALA 92 4.522 1.616 -5.284 697 HB2 ALA 92 2HB ALA 92 6.226 1.988 -5.637 698 HB3 ALA 92 3HB ALA 92 5.507 0.468 -6.223 699 H ALA 93 H ALA 93 8.426 0.573 -4.838 700 HA ALA 93 HA ALA 93 9.146 2.287 -2.558 701 HB1 ALA 93 1HB ALA 93 9.948 -0.091 -2.388 702 HB2 ALA 93 2HB ALA 93 10.863 0.159 -3.894 703 HB3 ALA 93 3HB ALA 93 11.262 1.108 -2.442 704 H MET 94 H MET 94 10.316 4.132 -3.024 705 HA MET 94 HA MET 94 10.883 4.500 -5.862 706 HB2 MET 94 1HB MET 94 10.362 6.575 -3.659 707 HB3 MET 94 2HB MET 94 10.617 6.951 -5.351 708 HG2 MET 94 1HG MET 94 8.573 5.653 -5.961 709 HG3 MET 94 2HG MET 94 8.326 5.232 -4.278 710 HE1 MET 94 1HE MET 94 7.374 8.471 -2.545 711 HE2 MET 94 2HE MET 94 7.921 6.781 -2.425 712 HE3 MET 94 3HE MET 94 9.100 8.079 -2.730 713 H THR 95 H THR 95 12.932 5.234 -6.521 714 HA THR 95 HA THR 95 14.899 5.548 -4.348 715 HB THR 95 HB THR 95 16.464 4.509 -6.182 716 HG1 THR 95 1HG THR 95 15.300 3.614 -7.896 717 HG21 THR 95 1HG2 THR 95 15.162 2.148 -5.808 718 HG22 THR 95 2HG2 THR 95 16.143 2.898 -4.527 719 HG23 THR 95 3HG2 THR 95 14.375 3.106 -4.531 720 H SER 96 H SER 96 17.080 6.323 -5.902 721 HA SER 96 HA SER 96 16.351 9.023 -6.307 722 HB2 SER 96 1HB SER 96 18.970 7.547 -6.826 723 HB3 SER 96 2HB SER 96 18.785 9.288 -6.902 724 HG SER 96 HG SER 96 18.036 9.177 -4.620 725 H LYS 97 H LYS 97 15.889 6.321 -8.197 726 HA LYS 97 HA LYS 97 16.412 7.777 -10.691 727 HB2 LYS 97 1HB LYS 97 17.353 5.897 -11.406 728 HB3 LYS 97 2HB LYS 97 17.010 5.113 -9.877 729 HG2 LYS 97 1HG LYS 97 15.886 3.750 -11.459 730 HG3 LYS 97 2HG LYS 97 14.604 4.739 -10.790 731 HD2 LYS 97 1HD LYS 97 15.538 6.322 -12.891 732 HD3 LYS 97 2HD LYS 97 15.715 4.703 -13.538 733 HE2 LYS 97 1HE LYS 97 13.385 4.215 -13.293 734 HE3 LYS 97 2HE LYS 97 13.134 5.532 -12.165 735 HZ1 LYS 97 1HZ LYS 97 13.405 5.634 -15.046 736 HZ2 LYS 97 2HZ LYS 97 12.378 6.447 -14.071 737 HZ3 LYS 97 3HZ LYS 97 13.937 6.921 -14.193 738 H GLY 98 H GLY 98 14.005 5.905 -8.782 739 HA2 GLY 98 1HA GLY 98 11.813 7.389 -9.389 740 HA3 GLY 98 2HA GLY 98 11.925 6.275 -10.737 741 H GLN 99 H GLN 99 10.026 5.099 -10.174 742 HA GLN 99 HA GLN 99 10.183 3.730 -7.611 743 HB2 GLN 99 1HB GLN 99 8.124 5.043 -8.006 744 HB3 GLN 99 2HB GLN 99 7.817 4.159 -9.488 745 HG2 GLN 99 1HG GLN 99 7.759 2.014 -8.100 746 HG3 GLN 99 2HG GLN 99 7.861 3.008 -6.660 747 HE21 GLN 99 1HE2 GLN 99 5.881 1.751 -9.132 748 HE22 GLN 99 2HE2 GLN 99 4.375 2.486 -8.693 749 H GLY 100 H GLY 100 9.734 1.400 -7.522 750 HA2 GLY 100 1HA GLY 100 10.356 0.059 -10.086 751 HA3 GLY 100 2HA GLY 100 10.925 -0.473 -8.516 752 H GLN 101 H GLN 101 9.934 -2.558 -8.705 753 HA GLN 101 HA GLN 101 7.403 -3.069 -9.491 754 HB2 GLN 101 1HB GLN 101 9.490 -4.517 -8.371 755 HB3 GLN 101 2HB GLN 101 8.250 -4.667 -7.142 756 HG2 GLN 101 1HG GLN 101 6.965 -6.035 -8.442 757 HG3 GLN 101 2HG GLN 101 7.151 -5.016 -9.855 758 HE21 GLN 101 1HE2 GLN 101 7.388 -7.992 -9.208 759 HE22 GLN 101 2HE2 GLN 101 8.862 -8.500 -9.963 760 H VAL 102 H VAL 102 5.669 -4.094 -7.775 761 HA VAL 102 HA VAL 102 5.411 -2.353 -5.469 762 HB VAL 102 HB VAL 102 4.323 -1.441 -7.717 763 HG11 VAL 102 1HG1 VAL 102 2.147 -2.145 -8.175 764 HG12 VAL 102 2HG1 VAL 102 2.997 -3.674 -7.846 765 HG13 VAL 102 3HG1 VAL 102 1.963 -2.943 -6.595 766 HG21 VAL 102 1HG2 VAL 102 3.250 0.056 -6.384 767 HG22 VAL 102 2HG2 VAL 102 2.485 -1.207 -5.390 768 HG23 VAL 102 3HG2 VAL 102 4.186 -0.763 -5.111 769 H SER 103 H SER 103 4.336 -3.359 -3.773 770 HA SER 103 HA SER 103 3.611 -6.111 -4.343 771 HB2 SER 103 1HB SER 103 4.654 -4.642 -1.940 772 HB3 SER 103 2HB SER 103 3.603 -6.011 -1.636 773 HG SER 103 HG SER 103 5.076 -7.235 -3.151 774 H ALA 104 H ALA 104 1.442 -6.218 -4.890 775 HA ALA 104 HA ALA 104 -0.410 -4.568 -3.332 776 HB1 ALA 104 1HB ALA 104 -1.631 -4.388 -5.234 777 HB2 ALA 104 2HB ALA 104 -0.151 -4.945 -6.051 778 HB3 ALA 104 3HB ALA 104 -1.431 -6.111 -5.636 779 H SER 105 H SER 105 -1.415 -5.526 -1.643 780 HA SER 105 HA SER 105 -1.770 -8.415 -1.845 781 HB2 SER 105 1HB SER 105 -0.645 -6.734 0.265 782 HB3 SER 105 2HB SER 105 -2.003 -7.657 0.878 783 HG SER 105 HG SER 105 -0.995 -9.604 0.206 784 H THR 106 H THR 106 -3.866 -9.202 -1.644 785 HA THR 106 HA THR 106 -5.984 -7.262 -1.584 786 HB THR 106 HB THR 106 -6.493 -10.223 -1.457 787 HG1 THR 106 1HG THR 106 -5.154 -8.724 -3.599 788 HG21 THR 106 1HG2 THR 106 -7.448 -7.808 -3.017 789 HG22 THR 106 2HG2 THR 106 -7.602 -9.419 -3.758 790 HG23 THR 106 3HG2 THR 106 -8.408 -9.071 -2.210 791 H ILE 107 H ILE 107 -7.206 -6.602 0.079 792 HA ILE 107 HA ILE 107 -7.391 -8.300 2.416 793 HB ILE 107 HB ILE 107 -5.374 -7.076 2.881 794 HG12 ILE 107 1HG1 ILE 107 -6.128 -5.849 4.958 795 HG13 ILE 107 2HG1 ILE 107 -7.783 -6.130 4.454 796 HG21 ILE 107 1HG2 ILE 107 -4.991 -4.915 2.427 797 HG22 ILE 107 2HG2 ILE 107 -6.405 -5.059 1.356 798 HG23 ILE 107 3HG2 ILE 107 -6.596 -4.401 2.999 799 HD11 ILE 107 1HD1 ILE 107 -5.817 -8.436 4.641 800 HD12 ILE 107 2HD1 ILE 107 -6.690 -7.851 6.077 801 HD13 ILE 107 3HD1 ILE 107 -7.596 -8.487 4.683 802 H SER 108 H SER 108 -9.442 -8.244 3.200 803 HA SER 108 HA SER 108 -11.155 -6.221 2.036 804 HB2 SER 108 1HB SER 108 -12.046 -8.388 1.675 805 HB3 SER 108 2HB SER 108 -11.624 -8.939 3.284 806 HG SER 108 HG SER 108 -13.847 -8.568 3.299 807 H SER 109 H SER 109 -10.761 -4.388 3.362 808 HA SER 109 HA SER 109 -10.361 -3.383 5.363 809 HB2 SER 109 1HB SER 109 -12.547 -2.653 6.209 810 HB3 SER 109 2HB SER 109 -12.584 -2.748 4.460 811 HG SER 109 HG SER 109 -14.442 -3.788 5.062 812 H GLY 110 H GLY 110 -12.802 -4.159 7.404 813 HA2 GLY 110 1HA GLY 110 -11.535 -6.521 8.601 814 HA3 GLY 110 2HA GLY 110 -11.606 -5.043 9.539 815 H VAL 111 H VAL 111 -13.697 -4.142 10.163 816 HA VAL 111 HA VAL 111 -16.134 -5.238 9.442 817 HB VAL 111 HB VAL 111 -15.275 -7.285 10.472 818 HG11 VAL 111 1HG1 VAL 111 -14.938 -7.360 12.946 819 HG12 VAL 111 2HG1 VAL 111 -13.717 -6.390 12.088 820 HG13 VAL 111 3HG1 VAL 111 -15.032 -5.583 12.975 821 HG21 VAL 111 1HG2 VAL 111 -17.658 -6.943 10.537 822 HG22 VAL 111 2HG2 VAL 111 -17.152 -7.645 12.092 823 HG23 VAL 111 3HG2 VAL 111 -17.521 -5.908 11.978 824 HA PRO 112 HA PRO 112 -17.064 -1.640 11.663 825 HB2 PRO 112 1HB PRO 112 -19.792 -1.691 11.502 826 HB3 PRO 112 2HB PRO 112 -18.767 -1.106 10.207 827 HG2 PRO 112 1HG PRO 112 -20.239 -3.663 10.395 828 HG3 PRO 112 2HG PRO 112 -19.573 -2.881 8.975 829 HD2 PRO 112 1HD PRO 112 -18.469 -5.130 10.373 830 HD3 PRO 112 2HD PRO 112 -17.745 -4.276 9.025 831 HA PRO 113 HA PRO 113 -17.651 -3.047 15.657 832 HB2 PRO 113 1HB PRO 113 -17.054 -0.738 16.990 833 HB3 PRO 113 2HB PRO 113 -15.836 -1.879 16.456 834 HG2 PRO 113 1HG PRO 113 -16.543 0.750 15.305 835 HG3 PRO 113 2HG PRO 113 -15.087 -0.195 15.069 836 HD2 PRO 113 1HD PRO 113 -17.271 0.080 13.230 837 HD3 PRO 113 2HD PRO 113 -15.870 -0.956 13.046 838 H SER 114 H SER 114 -19.364 -0.551 14.119 839 HA SER 114 HA SER 114 -21.182 -0.276 16.310 840 HB2 SER 114 1HB SER 114 -20.744 1.018 13.657 841 HB3 SER 114 2HB SER 114 -22.411 0.975 14.196 842 HG SER 114 HG SER 114 -21.134 1.734 16.360 843 H GLY 115 H GLY 115 -22.033 -2.433 16.559 844 HA2 GLY 115 1HA GLY 115 -23.917 -3.191 14.416 845 HA3 GLY 115 2HA GLY 115 -22.840 -4.372 15.134 846 HA PRO 116 HA PRO 116 -26.513 -4.492 17.721 847 HB2 PRO 116 1HB PRO 116 -26.679 -7.212 17.927 848 HB3 PRO 116 2HB PRO 116 -27.521 -6.291 16.697 849 HG2 PRO 116 1HG PRO 116 -25.104 -7.972 16.424 850 HG3 PRO 116 2HG PRO 116 -26.191 -7.401 15.173 851 HD2 PRO 116 1HD PRO 116 -23.587 -6.367 15.787 852 HD3 PRO 116 2HD PRO 116 -24.722 -5.724 14.616 853 H SER 117 H SER 117 -26.969 -5.616 19.905 854 HA SER 117 HA SER 117 -24.429 -6.136 21.186 855 HB2 SER 117 1HB SER 117 -25.019 -4.612 23.082 856 HB3 SER 117 2HB SER 117 -24.743 -3.754 21.580 857 HG SER 117 HG SER 117 -27.107 -4.046 23.079 858 H SER 118 H SER 118 -24.599 -7.677 22.859 859 HA SER 118 HA SER 118 -25.470 -9.236 24.091 860 HB2 SER 118 1HB SER 118 -28.051 -7.608 24.067 861 HB3 SER 118 2HB SER 118 -27.662 -8.889 25.198 862 HG SER 118 HG SER 118 -26.320 -7.585 26.299 863 H GLY 119 H GLY 119 -26.425 -11.286 23.734 864 HA2 GLY 119 1HA GLY 119 -27.519 -12.919 22.640 865 HA3 GLY 119 2HA GLY 119 -28.661 -11.718 22.068 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -5.927 -14.620 3.227 2 HA2 GLY 1 1HA GLY 1 -3.702 -13.233 4.364 3 HA3 GLY 1 2HA GLY 1 -3.259 -14.843 3.834 4 H SER 2 H SER 2 -1.922 -14.061 2.111 5 HA SER 2 HA SER 2 -3.451 -13.452 -0.227 6 HB2 SER 2 1HB SER 2 -2.367 -11.300 1.202 7 HB3 SER 2 2HB SER 2 -1.166 -11.597 -0.039 8 HG SER 2 HG SER 2 -3.084 -11.616 -1.579 9 H SER 3 H SER 3 -2.497 -14.432 -2.015 10 HA SER 3 HA SER 3 0.297 -14.768 -2.157 11 HB2 SER 3 1HB SER 3 -1.424 -17.210 -1.557 12 HB3 SER 3 2HB SER 3 0.181 -17.325 -2.250 13 HG SER 3 HG SER 3 -0.593 -16.783 0.382 14 H GLY 4 H GLY 4 0.939 -15.655 -4.284 15 HA2 GLY 4 1HA GLY 4 -1.218 -16.247 -6.158 16 HA3 GLY 4 2HA GLY 4 -0.296 -14.787 -6.456 17 H SER 5 H SER 5 -0.404 -17.152 -8.176 18 HA SER 5 HA SER 5 2.426 -17.566 -8.337 19 HB2 SER 5 1HB SER 5 0.502 -19.722 -7.550 20 HB3 SER 5 2HB SER 5 1.703 -20.161 -8.748 21 HG SER 5 HG SER 5 3.361 -19.771 -7.311 22 H SER 6 H SER 6 2.767 -16.936 -10.439 23 HA SER 6 HA SER 6 1.056 -18.159 -12.433 24 HB2 SER 6 1HB SER 6 1.061 -15.937 -13.690 25 HB3 SER 6 2HB SER 6 0.057 -15.993 -12.255 26 HG SER 6 HG SER 6 1.311 -14.047 -12.296 27 H GLY 7 H GLY 7 2.088 -17.879 -14.714 28 HA2 GLY 7 1HA GLY 7 4.986 -17.466 -14.617 29 HA3 GLY 7 2HA GLY 7 4.401 -19.054 -15.069 30 HA PRO 8 HA PRO 8 3.219 -15.871 -18.415 31 HB2 PRO 8 1HB PRO 8 4.769 -13.625 -18.570 32 HB3 PRO 8 2HB PRO 8 3.203 -13.657 -17.784 33 HG2 PRO 8 1HG PRO 8 5.892 -13.595 -16.557 34 HG3 PRO 8 2HG PRO 8 4.345 -13.203 -15.832 35 HD2 PRO 8 1HD PRO 8 5.858 -15.610 -15.452 36 HD3 PRO 8 2HD PRO 8 4.260 -15.266 -14.821 37 H GLN 9 H GLN 9 4.429 -14.914 -20.499 38 HA GLN 9 HA GLN 9 6.007 -17.081 -21.276 39 HB2 GLN 9 1HB GLN 9 4.830 -14.709 -22.486 40 HB3 GLN 9 2HB GLN 9 6.466 -14.924 -23.076 41 HG2 GLN 9 1HG GLN 9 5.506 -17.526 -23.161 42 HG3 GLN 9 2HG GLN 9 4.057 -16.610 -23.525 43 HE21 GLN 9 1HE2 GLN 9 3.921 -17.186 -25.635 44 HE22 GLN 9 2HE2 GLN 9 5.025 -16.676 -26.868 45 H LEU 10 H LEU 10 8.242 -17.357 -21.417 46 HA LEU 10 HA LEU 10 9.872 -16.006 -19.682 47 HB2 LEU 10 1HB LEU 10 10.097 -18.039 -21.693 48 HB3 LEU 10 2HB LEU 10 11.466 -16.952 -21.822 49 HG LEU 10 HG LEU 10 11.120 -17.520 -19.055 50 HD11 LEU 10 1HD1 LEU 10 10.028 -19.500 -19.156 51 HD12 LEU 10 2HD1 LEU 10 10.541 -19.832 -20.828 52 HD13 LEU 10 3HD1 LEU 10 11.668 -20.113 -19.479 53 HD21 LEU 10 1HD2 LEU 10 13.291 -17.160 -19.517 54 HD22 LEU 10 2HD2 LEU 10 13.332 -18.921 -19.772 55 HD23 LEU 10 3HD2 LEU 10 13.165 -17.824 -21.163 56 H VAL 11 H VAL 11 11.127 -14.169 -19.723 57 HA VAL 11 HA VAL 11 11.683 -12.849 -22.195 58 HB VAL 11 HB VAL 11 9.355 -12.189 -21.863 59 HG11 VAL 11 1HG1 VAL 11 8.460 -11.584 -19.898 60 HG12 VAL 11 2HG1 VAL 11 9.956 -12.199 -19.156 61 HG13 VAL 11 3HG1 VAL 11 9.797 -10.467 -19.535 62 HG21 VAL 11 1HG2 VAL 11 11.064 -10.625 -22.849 63 HG22 VAL 11 2HG2 VAL 11 9.643 -9.824 -22.136 64 HG23 VAL 11 3HG2 VAL 11 11.187 -9.849 -21.252 65 H ARG 12 H ARG 12 13.457 -11.471 -21.974 66 HA ARG 12 HA ARG 12 14.428 -11.276 -19.235 67 HB2 ARG 12 1HB ARG 12 15.781 -11.987 -21.818 68 HB3 ARG 12 2HB ARG 12 16.705 -10.965 -20.736 69 HG2 ARG 12 1HG ARG 12 16.754 -12.590 -19.016 70 HG3 ARG 12 2HG ARG 12 15.335 -13.423 -19.619 71 HD2 ARG 12 1HD ARG 12 16.966 -13.771 -21.772 72 HD3 ARG 12 2HD ARG 12 18.192 -13.633 -20.528 73 HE ARG 12 HE ARG 12 16.018 -15.454 -19.797 74 HH11 ARG 12 2HH2 ARG 12 19.106 -15.178 -21.461 75 HH12 ARG 12 1HH2 ARG 12 19.480 -16.863 -21.316 76 HH21 ARG 12 2HH1 ARG 12 16.511 -17.678 -19.606 77 HH22 ARG 12 1HH1 ARG 12 17.994 -18.294 -20.254 78 H THR 13 H THR 13 14.093 -9.172 -18.559 79 HA THR 13 HA THR 13 14.971 -7.046 -20.384 80 HB THR 13 HB THR 13 12.934 -5.746 -19.615 81 HG1 THR 13 1HG THR 13 12.756 -7.220 -17.671 82 HG21 THR 13 1HG2 THR 13 12.019 -6.578 -21.541 83 HG22 THR 13 2HG2 THR 13 12.902 -8.113 -21.357 84 HG23 THR 13 3HG2 THR 13 11.331 -7.888 -20.551 85 H HIS 14 H HIS 14 15.999 -5.298 -19.436 86 HA HIS 14 HA HIS 14 17.014 -5.871 -16.817 87 HB2 HIS 14 1HB HIS 14 17.798 -4.310 -19.127 88 HB3 HIS 14 2HB HIS 14 17.904 -3.336 -17.673 89 HD1 HIS 14 1HD HIS 14 18.784 -7.031 -18.273 90 HD2 HIS 14 2HD HIS 14 20.507 -3.469 -16.882 91 HE1 HIS 14 1HE HIS 14 21.148 -7.627 -17.519 92 H GLU 15 H GLU 15 17.279 -3.668 -15.388 93 HA GLU 15 HA GLU 15 15.160 -1.878 -15.482 94 HB2 GLU 15 1HB GLU 15 14.708 -4.383 -13.905 95 HB3 GLU 15 2HB GLU 15 14.249 -2.884 -13.122 96 HG2 GLU 15 1HG GLU 15 13.273 -2.598 -15.753 97 HG3 GLU 15 2HG GLU 15 12.964 -4.281 -15.372 98 H ASP 16 H ASP 16 15.342 -0.251 -13.787 99 HA ASP 16 HA ASP 16 17.889 -0.500 -12.407 100 HB2 ASP 16 1HB ASP 16 17.335 1.439 -14.063 101 HB3 ASP 16 2HB ASP 16 16.273 2.048 -12.809 102 H VAL 17 H VAL 17 14.560 0.962 -12.072 103 HA VAL 17 HA VAL 17 14.554 1.605 -9.455 104 HB VAL 17 HB VAL 17 12.067 0.837 -9.607 105 HG11 VAL 17 1HG1 VAL 17 11.656 2.804 -11.249 106 HG12 VAL 17 2HG1 VAL 17 12.487 3.133 -9.710 107 HG13 VAL 17 3HG1 VAL 17 13.425 2.996 -11.217 108 HG21 VAL 17 1HG2 VAL 17 12.693 0.787 -12.563 109 HG22 VAL 17 2HG2 VAL 17 12.658 -0.701 -11.587 110 HG23 VAL 17 3HG2 VAL 17 11.197 0.307 -11.725 111 HA PRO 18 HA PRO 18 14.692 -2.023 -7.112 112 HB2 PRO 18 1HB PRO 18 12.998 -1.545 -5.022 113 HB3 PRO 18 2HB PRO 18 14.616 -0.879 -5.115 114 HG2 PRO 18 1HG PRO 18 12.026 0.476 -5.556 115 HG3 PRO 18 2HG PRO 18 13.595 1.186 -5.227 116 HD2 PRO 18 1HD PRO 18 12.267 1.059 -7.767 117 HD3 PRO 18 2HD PRO 18 13.883 1.663 -7.457 118 H GLY 19 H GLY 19 13.303 -3.764 -5.814 119 HA2 GLY 19 1HA GLY 19 11.298 -4.580 -7.810 120 HA3 GLY 19 2HA GLY 19 12.171 -5.631 -6.712 121 HA PRO 20 HA PRO 20 8.220 -4.997 -4.685 122 HB2 PRO 20 1HB PRO 20 7.873 -7.575 -3.847 123 HB3 PRO 20 2HB PRO 20 7.252 -6.971 -5.370 124 HG2 PRO 20 1HG PRO 20 9.582 -8.723 -4.883 125 HG3 PRO 20 2HG PRO 20 8.702 -8.458 -6.374 126 HD2 PRO 20 1HD PRO 20 11.259 -7.364 -5.673 127 HD3 PRO 20 2HD PRO 20 10.326 -7.008 -7.113 128 H VAL 21 H VAL 21 7.944 -4.158 -2.708 129 HA VAL 21 HA VAL 21 10.106 -4.100 -0.983 130 HB VAL 21 HB VAL 21 8.248 -3.435 0.691 131 HG11 VAL 21 1HG1 VAL 21 8.089 -1.215 -0.302 132 HG12 VAL 21 2HG1 VAL 21 9.731 -1.866 -0.518 133 HG13 VAL 21 3HG1 VAL 21 8.589 -1.860 -1.884 134 HG21 VAL 21 1HG2 VAL 21 6.423 -2.764 -1.472 135 HG22 VAL 21 2HG2 VAL 21 6.620 -4.525 -1.308 136 HG23 VAL 21 3HG2 VAL 21 6.098 -3.554 0.090 137 H GLY 22 H GLY 22 9.363 -4.780 1.569 138 HA2 GLY 22 1HA GLY 22 9.949 -7.509 1.693 139 HA3 GLY 22 2HA GLY 22 9.360 -6.507 3.005 140 H HIS 23 H HIS 23 7.841 -7.900 3.926 141 HA HIS 23 HA HIS 23 5.792 -8.928 2.116 142 HB2 HIS 23 1HB HIS 23 5.845 -9.814 4.941 143 HB3 HIS 23 2HB HIS 23 5.563 -10.730 3.474 144 HD1 HIS 23 1HD HIS 23 7.403 -12.298 2.849 145 HD2 HIS 23 2HD HIS 23 8.788 -9.091 5.172 146 HE1 HIS 23 1HE HIS 23 9.881 -12.736 3.268 147 H LEU 24 H LEU 24 4.127 -7.511 1.880 148 HA LEU 24 HA LEU 24 3.540 -5.438 3.579 149 HB2 LEU 24 1HB LEU 24 2.408 -6.705 1.260 150 HB3 LEU 24 2HB LEU 24 1.127 -6.278 2.377 151 HG LEU 24 HG LEU 24 2.445 -3.953 2.425 152 HD11 LEU 24 1HD1 LEU 24 3.841 -5.353 0.417 153 HD12 LEU 24 2HD1 LEU 24 2.839 -4.142 -0.419 154 HD13 LEU 24 3HD1 LEU 24 3.975 -3.632 0.853 155 HD21 LEU 24 1HD2 LEU 24 0.784 -3.071 1.028 156 HD22 LEU 24 2HD2 LEU 24 0.667 -4.565 0.067 157 HD23 LEU 24 3HD2 LEU 24 0.047 -4.529 1.735 158 H SER 25 H SER 25 1.919 -5.095 5.207 159 HA SER 25 HA SER 25 0.739 -7.507 6.273 160 HB2 SER 25 1HB SER 25 3.050 -6.872 7.387 161 HB3 SER 25 2HB SER 25 2.130 -5.608 8.179 162 HG SER 25 HG SER 25 2.211 -8.314 8.724 163 H PHE 26 H PHE 26 -1.101 -7.037 7.738 164 HA PHE 26 HA PHE 26 -1.958 -4.240 7.645 165 HB2 PHE 26 1HB PHE 26 -3.548 -6.800 7.015 166 HB3 PHE 26 2HB PHE 26 -4.274 -5.209 7.126 167 HD1 PHE 26 1HD PHE 26 -1.973 -3.724 5.716 168 HD2 PHE 26 2HD PHE 26 -4.136 -7.247 4.755 169 HE1 PHE 26 1HE PHE 26 -1.511 -3.343 3.279 170 HE2 PHE 26 2HE PHE 26 -3.673 -6.866 2.318 171 HZ PHE 26 HZ PHE 26 -2.367 -4.918 1.609 172 H SER 27 H SER 27 -2.555 -3.503 9.630 173 HA SER 27 HA SER 27 -3.548 -5.494 11.502 174 HB2 SER 27 1HB SER 27 -2.178 -4.659 13.291 175 HB3 SER 27 2HB SER 27 -1.105 -4.946 11.935 176 HG SER 27 HG SER 27 -1.340 -2.690 13.295 177 H GLU 28 H GLU 28 -4.416 -4.136 13.591 178 HA GLU 28 HA GLU 28 -6.206 -2.992 14.167 179 HB2 GLU 28 1HB GLU 28 -4.404 -0.827 13.011 180 HB3 GLU 28 2HB GLU 28 -5.838 -0.460 13.949 181 HG2 GLU 28 1HG GLU 28 -4.296 -2.469 15.364 182 HG3 GLU 28 2HG GLU 28 -3.226 -1.155 14.917 183 H ILE 29 H ILE 29 -7.126 -4.280 12.062 184 HA ILE 29 HA ILE 29 -8.031 -2.387 10.057 185 HB ILE 29 HB ILE 29 -8.540 -5.354 10.259 186 HG12 ILE 29 1HG1 ILE 29 -6.159 -3.825 9.280 187 HG13 ILE 29 2HG1 ILE 29 -6.234 -5.335 10.165 188 HG21 ILE 29 1HG2 ILE 29 -8.464 -3.799 7.704 189 HG22 ILE 29 2HG2 ILE 29 -9.358 -5.281 8.119 190 HG23 ILE 29 3HG2 ILE 29 -9.913 -3.705 8.733 191 HD11 ILE 29 1HD1 ILE 29 -6.456 -4.843 7.227 192 HD12 ILE 29 2HD1 ILE 29 -5.762 -6.231 8.099 193 HD13 ILE 29 3HD1 ILE 29 -7.525 -6.102 7.889 194 H LEU 30 H LEU 30 -10.097 -1.585 9.897 195 HA LEU 30 HA LEU 30 -11.943 -2.486 11.998 196 HB2 LEU 30 1HB LEU 30 -11.532 0.252 10.796 197 HB3 LEU 30 2HB LEU 30 -12.903 -0.173 11.802 198 HG LEU 30 HG LEU 30 -11.322 0.964 13.169 199 HD11 LEU 30 1HD1 LEU 30 -12.434 -1.287 13.941 200 HD12 LEU 30 2HD1 LEU 30 -10.750 -1.863 13.974 201 HD13 LEU 30 3HD1 LEU 30 -11.231 -0.464 14.964 202 HD21 LEU 30 1HD2 LEU 30 -9.118 -1.003 12.801 203 HD22 LEU 30 2HD2 LEU 30 -9.390 0.181 11.500 204 HD23 LEU 30 3HD2 LEU 30 -9.062 0.740 13.158 205 H ASP 31 H ASP 31 -13.477 -0.282 10.002 206 HA ASP 31 HA ASP 31 -14.557 -2.483 8.429 207 HB2 ASP 31 1HB ASP 31 -16.628 -1.143 8.279 208 HB3 ASP 31 2HB ASP 31 -16.182 -1.405 9.954 209 H THR 32 H THR 32 -13.169 0.800 8.482 210 HA THR 32 HA THR 32 -12.806 0.674 5.598 211 HB THR 32 HB THR 32 -13.784 2.939 5.302 212 HG1 THR 32 1HG THR 32 -14.656 3.937 7.214 213 HG21 THR 32 1HG2 THR 32 -16.115 2.434 5.584 214 HG22 THR 32 2HG2 THR 32 -15.351 0.844 5.339 215 HG23 THR 32 3HG2 THR 32 -15.795 1.375 6.979 216 H SER 33 H SER 33 -11.289 0.559 8.310 217 HA SER 33 HA SER 33 -9.237 2.364 7.371 218 HB2 SER 33 1HB SER 33 -8.819 2.924 9.898 219 HB3 SER 33 2HB SER 33 -10.066 3.795 9.028 220 HG SER 33 HG SER 33 -10.483 2.656 11.274 221 H LEU 34 H LEU 34 -7.196 1.421 7.504 222 HA LEU 34 HA LEU 34 -6.702 -0.649 9.432 223 HB2 LEU 34 1HB LEU 34 -6.225 -2.408 7.885 224 HB3 LEU 34 2HB LEU 34 -7.889 -1.893 7.701 225 HG LEU 34 HG LEU 34 -7.027 -0.455 5.730 226 HD11 LEU 34 1HD1 LEU 34 -4.954 -2.218 4.941 227 HD12 LEU 34 2HD1 LEU 34 -4.857 -0.473 5.282 228 HD13 LEU 34 3HD1 LEU 34 -4.569 -1.652 6.585 229 HD21 LEU 34 1HD2 LEU 34 -8.091 -3.015 5.918 230 HD22 LEU 34 2HD2 LEU 34 -7.998 -2.000 4.458 231 HD23 LEU 34 3HD2 LEU 34 -6.721 -3.194 4.796 232 H LYS 35 H LYS 35 -4.425 -1.111 9.637 233 HA LYS 35 HA LYS 35 -2.826 1.060 8.529 234 HB2 LYS 35 1HB LYS 35 -2.983 0.507 11.035 235 HB3 LYS 35 2HB LYS 35 -1.999 -0.898 10.677 236 HG2 LYS 35 1HG LYS 35 -0.680 1.208 9.342 237 HG3 LYS 35 2HG LYS 35 -1.212 1.933 10.845 238 HD2 LYS 35 1HD LYS 35 0.927 1.006 11.352 239 HD3 LYS 35 2HD LYS 35 -0.218 -0.126 12.044 240 HE2 LYS 35 1HE LYS 35 0.253 -0.876 9.284 241 HE3 LYS 35 2HE LYS 35 1.804 -0.641 10.065 242 HZ1 LYS 35 1HZ LYS 35 1.152 -2.834 10.469 243 HZ2 LYS 35 2HZ LYS 35 0.913 -2.060 11.887 244 HZ3 LYS 35 3HZ LYS 35 -0.359 -2.421 10.929 245 H VAL 36 H VAL 36 -1.190 0.752 7.065 246 HA VAL 36 HA VAL 36 -0.839 -2.020 6.168 247 HB VAL 36 HB VAL 36 -0.582 0.638 4.758 248 HG11 VAL 36 1HG1 VAL 36 -0.007 -2.101 3.585 249 HG12 VAL 36 2HG1 VAL 36 0.146 -0.522 2.778 250 HG13 VAL 36 3HG1 VAL 36 1.246 -0.951 4.110 251 HG21 VAL 36 1HG2 VAL 36 -2.813 -0.873 5.183 252 HG22 VAL 36 2HG2 VAL 36 -2.575 0.205 3.786 253 HG23 VAL 36 3HG2 VAL 36 -2.241 -1.537 3.634 254 H SER 37 H SER 37 1.286 -2.831 5.808 255 HA SER 37 HA SER 37 3.431 -1.089 6.661 256 HB2 SER 37 1HB SER 37 4.023 -2.274 8.518 257 HB3 SER 37 2HB SER 37 2.356 -2.813 8.492 258 HG SER 37 HG SER 37 4.633 -4.287 8.170 259 H TRP 38 H TRP 38 5.647 -2.341 6.290 260 HA TRP 38 HA TRP 38 5.729 -4.536 4.577 261 HB2 TRP 38 1HB TRP 38 6.312 -3.498 2.456 262 HB3 TRP 38 2HB TRP 38 4.660 -3.147 2.924 263 HD1 TRP 38 HD TRP 38 8.087 -1.372 2.616 264 HE1 TRP 38 1HE TRP 38 7.787 1.245 2.463 265 HE3 TRP 38 3HE TRP 38 3.084 -1.366 3.521 266 HZ2 TRP 38 2HZ TRP 38 5.541 2.985 2.732 267 HZ3 TRP 38 3HZ TRP 38 1.913 0.834 3.559 268 HH2 TRP 38 HH TRP 38 3.060 2.960 3.183 269 H GLN 39 H GLN 39 8.051 -4.790 3.718 270 HA GLN 39 HA GLN 39 9.819 -3.333 5.524 271 HB2 GLN 39 1HB GLN 39 9.500 -6.174 4.961 272 HB3 GLN 39 2HB GLN 39 11.138 -5.673 4.587 273 HG2 GLN 39 1HG GLN 39 11.019 -4.430 6.923 274 HG3 GLN 39 2HG GLN 39 9.672 -5.507 7.237 275 HE21 GLN 39 1HE2 GLN 39 12.444 -5.267 8.335 276 HE22 GLN 39 2HE2 GLN 39 13.140 -6.850 8.233 277 H GLU 40 H GLU 40 12.284 -3.652 4.526 278 HA GLU 40 HA GLU 40 12.116 -2.185 2.087 279 HB2 GLU 40 1HB GLU 40 14.084 -2.636 4.212 280 HB3 GLU 40 2HB GLU 40 14.830 -2.744 2.630 281 HG2 GLU 40 1HG GLU 40 14.045 -0.531 2.007 282 HG3 GLU 40 2HG GLU 40 12.984 -0.443 3.399 283 HA PRO 41 HA PRO 41 12.788 -5.636 -0.478 284 HB2 PRO 41 1HB PRO 41 13.277 -4.347 -2.838 285 HB3 PRO 41 2HB PRO 41 11.663 -4.642 -2.224 286 HG2 PRO 41 1HG PRO 41 13.195 -2.114 -2.269 287 HG3 PRO 41 2HG PRO 41 11.471 -2.349 -2.064 288 HD2 PRO 41 1HD PRO 41 13.375 -1.731 -0.009 289 HD3 PRO 41 2HD PRO 41 11.671 -2.080 0.210 290 H GLY 42 H GLY 42 14.358 -6.961 -1.459 291 HA2 GLY 42 1HA GLY 42 17.008 -6.246 -0.562 292 HA3 GLY 42 2HA GLY 42 16.495 -7.740 -1.319 293 H GLU 43 H GLU 43 15.131 -5.520 -3.323 294 HA GLU 43 HA GLU 43 17.507 -5.507 -5.005 295 HB2 GLU 43 1HB GLU 43 14.569 -5.778 -5.542 296 HB3 GLU 43 2HB GLU 43 15.510 -4.922 -6.747 297 HG2 GLU 43 1HG GLU 43 16.063 -7.739 -5.702 298 HG3 GLU 43 2HG GLU 43 15.423 -7.332 -7.282 299 H LYS 44 H LYS 44 17.194 -3.564 -2.889 300 HA LYS 44 HA LYS 44 15.981 -1.234 -3.398 301 HB2 LYS 44 1HB LYS 44 18.787 -1.691 -2.348 302 HB3 LYS 44 2HB LYS 44 17.957 -0.150 -2.272 303 HG2 LYS 44 1HG LYS 44 16.015 -1.462 -1.115 304 HG3 LYS 44 2HG LYS 44 17.176 -2.760 -0.917 305 HD2 LYS 44 1HD LYS 44 18.612 -1.424 0.466 306 HD3 LYS 44 2HD LYS 44 17.838 0.070 -0.023 307 HE2 LYS 44 1HE LYS 44 15.867 -0.389 1.264 308 HE3 LYS 44 2HE LYS 44 16.260 -2.088 1.426 309 HZ1 LYS 44 1HZ LYS 44 18.383 -0.949 2.531 310 HZ2 LYS 44 2HZ LYS 44 17.238 0.146 2.926 311 HZ3 LYS 44 3HZ LYS 44 17.064 -1.415 3.374 312 H ASN 45 H ASN 45 18.775 -2.607 -5.142 313 HA ASN 45 HA ASN 45 19.978 -1.838 -6.805 314 HB2 ASN 45 1HB ASN 45 17.096 -1.499 -7.559 315 HB3 ASN 45 2HB ASN 45 18.236 -0.685 -8.612 316 HD21 ASN 45 1HD2 ASN 45 16.909 -3.665 -7.569 317 HD22 ASN 45 2HD2 ASN 45 17.773 -4.737 -8.620 318 H GLY 46 H GLY 46 20.043 0.044 -4.689 319 HA2 GLY 46 1HA GLY 46 21.211 2.224 -5.351 320 HA3 GLY 46 2HA GLY 46 19.631 2.668 -5.967 321 H ILE 47 H ILE 47 19.762 4.469 -4.362 322 HA ILE 47 HA ILE 47 19.295 3.550 -1.621 323 HB ILE 47 HB ILE 47 20.324 6.101 -2.818 324 HG12 ILE 47 1HG1 ILE 47 22.012 4.478 -2.349 325 HG13 ILE 47 2HG1 ILE 47 22.118 5.730 -1.127 326 HG21 ILE 47 1HG2 ILE 47 19.224 7.317 -1.316 327 HG22 ILE 47 2HG2 ILE 47 18.607 5.868 -0.487 328 HG23 ILE 47 3HG2 ILE 47 20.209 6.520 -0.066 329 HD11 ILE 47 1HD1 ILE 47 21.320 2.870 -0.850 330 HD12 ILE 47 2HD1 ILE 47 22.135 3.943 0.314 331 HD13 ILE 47 3HD1 ILE 47 20.369 4.028 0.111 332 H LEU 48 H LEU 48 17.197 3.283 -1.097 333 HA LEU 48 HA LEU 48 15.106 4.264 -2.657 334 HB2 LEU 48 1HB LEU 48 14.971 3.441 0.242 335 HB3 LEU 48 2HB LEU 48 13.670 3.432 -0.934 336 HG LEU 48 HG LEU 48 16.133 1.667 -1.037 337 HD11 LEU 48 1HD1 LEU 48 14.594 1.157 0.845 338 HD12 LEU 48 2HD1 LEU 48 13.284 0.911 -0.335 339 HD13 LEU 48 3HD1 LEU 48 14.712 -0.153 -0.355 340 HD21 LEU 48 1HD2 LEU 48 15.414 2.018 -3.267 341 HD22 LEU 48 2HD2 LEU 48 14.773 0.432 -2.775 342 HD23 LEU 48 3HD2 LEU 48 13.699 1.850 -2.821 343 H THR 49 H THR 49 13.722 6.045 -2.469 344 HA THR 49 HA THR 49 14.701 8.126 -0.626 345 HB THR 49 HB THR 49 13.762 9.684 -2.418 346 HG1 THR 49 1HG THR 49 12.337 8.256 -3.500 347 HG21 THR 49 1HG2 THR 49 16.153 8.052 -2.584 348 HG22 THR 49 2HG2 THR 49 15.465 8.218 -4.217 349 HG23 THR 49 3HG2 THR 49 15.879 9.670 -3.273 350 H GLY 50 H GLY 50 12.089 6.019 -1.468 351 HA2 GLY 50 1HA GLY 50 10.550 6.687 0.736 352 HA3 GLY 50 2HA GLY 50 9.932 7.645 -0.595 353 H TYR 51 H TYR 51 7.957 6.222 -0.107 354 HA TYR 51 HA TYR 51 8.075 3.927 -1.905 355 HB2 TYR 51 1HB TYR 51 7.128 4.080 1.019 356 HB3 TYR 51 2HB TYR 51 6.621 2.777 -0.038 357 HD1 TYR 51 2HD TYR 51 8.419 1.257 -1.046 358 HD2 TYR 51 1HD TYR 51 9.208 3.993 2.147 359 HE1 TYR 51 2HE TYR 51 10.522 -0.039 -0.445 360 HE2 TYR 51 1HE TYR 51 11.308 2.688 2.737 361 HH TYR 51 HH TYR 51 12.719 1.147 2.048 362 H ARG 52 H ARG 52 6.222 3.676 -3.131 363 HA ARG 52 HA ARG 52 4.216 5.705 -2.645 364 HB2 ARG 52 1HB ARG 52 5.508 5.099 -4.958 365 HB3 ARG 52 2HB ARG 52 4.169 3.981 -5.117 366 HG2 ARG 52 1HG ARG 52 2.710 6.122 -4.445 367 HG3 ARG 52 2HG ARG 52 4.116 7.001 -5.013 368 HD2 ARG 52 1HD ARG 52 2.965 4.790 -6.737 369 HD3 ARG 52 2HD ARG 52 2.171 6.352 -6.709 370 HE ARG 52 HE ARG 52 4.969 6.791 -7.086 371 HH11 ARG 52 2HH2 ARG 52 2.211 5.442 -8.806 372 HH12 ARG 52 1HH2 ARG 52 2.852 5.801 -10.375 373 HH21 ARG 52 2HH1 ARG 52 5.815 7.265 -9.155 374 HH22 ARG 52 1HH1 ARG 52 4.916 6.844 -10.575 375 H ILE 53 H ILE 53 2.390 5.044 -1.557 376 HA ILE 53 HA ILE 53 1.647 2.217 -1.807 377 HB ILE 53 HB ILE 53 2.231 2.918 0.436 378 HG12 ILE 53 1HG1 ILE 53 -0.681 2.298 -0.082 379 HG13 ILE 53 2HG1 ILE 53 0.611 1.185 0.321 380 HG21 ILE 53 1HG2 ILE 53 0.949 5.330 -0.265 381 HG22 ILE 53 2HG2 ILE 53 -0.004 4.620 1.059 382 HG23 ILE 53 3HG2 ILE 53 1.738 4.911 1.274 383 HD11 ILE 53 1HD1 ILE 53 0.537 3.177 2.392 384 HD12 ILE 53 2HD1 ILE 53 -1.130 2.617 2.112 385 HD13 ILE 53 3HD1 ILE 53 0.147 1.444 2.518 386 H SER 54 H SER 54 -0.576 1.660 -2.179 387 HA SER 54 HA SER 54 -2.374 3.805 -2.753 388 HB2 SER 54 1HB SER 54 -2.787 2.530 -5.095 389 HB3 SER 54 2HB SER 54 -1.690 3.888 -4.944 390 HG SER 54 HG SER 54 -1.016 1.603 -5.925 391 H TRP 55 H TRP 55 -4.309 3.137 -1.900 392 HA TRP 55 HA TRP 55 -4.752 0.238 -1.737 393 HB2 TRP 55 1HB TRP 55 -6.231 0.720 0.123 394 HB3 TRP 55 2HB TRP 55 -4.612 1.321 0.418 395 HD1 TRP 55 HD TRP 55 -7.986 2.833 -0.876 396 HE1 TRP 55 1HE TRP 55 -8.291 5.297 0.016 397 HE3 TRP 55 3HE TRP 55 -3.508 3.079 1.519 398 HZ2 TRP 55 2HZ TRP 55 -6.661 7.034 1.588 399 HZ3 TRP 55 3HZ TRP 55 -2.942 5.195 2.708 400 HH2 TRP 55 HH TRP 55 -4.434 7.130 2.768 401 H GLU 56 H GLU 56 -6.312 -0.596 -3.062 402 HA GLU 56 HA GLU 56 -8.518 1.115 -3.775 403 HB2 GLU 56 1HB GLU 56 -8.268 0.908 -6.137 404 HB3 GLU 56 2HB GLU 56 -6.680 1.360 -5.548 405 HG2 GLU 56 1HG GLU 56 -6.040 -1.093 -5.531 406 HG3 GLU 56 2HG GLU 56 -7.597 -1.471 -6.241 407 H GLU 57 H GLU 57 -10.445 -0.056 -4.219 408 HA GLU 57 HA GLU 57 -10.778 -2.413 -2.980 409 HB2 GLU 57 1HB GLU 57 -12.261 -0.960 -5.144 410 HB3 GLU 57 2HB GLU 57 -12.734 -2.622 -4.849 411 HG2 GLU 57 1HG GLU 57 -12.446 -1.450 -2.270 412 HG3 GLU 57 2HG GLU 57 -13.271 -0.244 -3.238 413 H TYR 58 H TYR 58 -11.671 -4.535 -4.215 414 HA TYR 58 HA TYR 58 -9.515 -5.855 -5.238 415 HB2 TYR 58 1HB TYR 58 -11.665 -6.858 -4.431 416 HB3 TYR 58 2HB TYR 58 -12.547 -6.082 -5.732 417 HD1 TYR 58 1HD TYR 58 -9.689 -8.472 -5.255 418 HD2 TYR 58 2HD TYR 58 -13.087 -7.352 -7.601 419 HE1 TYR 58 1HE TYR 58 -9.377 -10.537 -6.706 420 HE2 TYR 58 2HE TYR 58 -12.763 -9.420 -9.044 421 HH TYR 58 HH TYR 58 -11.258 -10.995 -9.616 422 H ASN 59 H ASN 59 -12.329 -4.642 -7.207 423 HA ASN 59 HA ASN 59 -10.419 -4.389 -9.395 424 HB2 ASN 59 1HB ASN 59 -11.994 -6.283 -9.795 425 HB3 ASN 59 2HB ASN 59 -13.364 -5.226 -9.520 426 HD21 ASN 59 1HD2 ASN 59 -13.706 -6.299 -11.730 427 HD22 ASN 59 2HD2 ASN 59 -13.215 -5.387 -13.119 428 H ARG 60 H ARG 60 -10.334 -2.112 -8.318 429 HA ARG 60 HA ARG 60 -12.211 -0.464 -9.699 430 HB2 ARG 60 1HB ARG 60 -11.872 0.027 -6.713 431 HB3 ARG 60 2HB ARG 60 -13.071 0.719 -7.788 432 HG2 ARG 60 1HG ARG 60 -14.039 -1.607 -8.116 433 HG3 ARG 60 2HG ARG 60 -12.908 -2.205 -6.918 434 HD2 ARG 60 1HD ARG 60 -14.530 -1.716 -5.386 435 HD3 ARG 60 2HD ARG 60 -14.034 -0.046 -5.580 436 HE ARG 60 HE ARG 60 -16.007 0.383 -6.770 437 HH11 ARG 60 2HH2 ARG 60 -15.480 -3.093 -6.618 438 HH12 ARG 60 1HH2 ARG 60 -17.023 -3.485 -7.299 439 HH21 ARG 60 2HH1 ARG 60 -18.043 -0.134 -7.668 440 HH22 ARG 60 1HH1 ARG 60 -18.491 -1.791 -7.901 441 H THR 61 H THR 61 -10.668 0.726 -10.811 442 HA THR 61 HA THR 61 -8.222 1.489 -9.438 443 HB THR 61 HB THR 61 -9.205 1.864 -12.317 444 HG1 THR 61 1HG THR 61 -7.879 -0.058 -12.569 445 HG21 THR 61 1HG2 THR 61 -6.389 1.979 -11.114 446 HG22 THR 61 2HG2 THR 61 -6.803 2.157 -12.836 447 HG23 THR 61 3HG2 THR 61 -7.304 3.402 -11.666 448 H ASN 62 H ASN 62 -11.331 2.657 -9.484 449 HA ASN 62 HA ASN 62 -10.628 5.401 -9.854 450 HB2 ASN 62 1HB ASN 62 -12.934 4.174 -10.327 451 HB3 ASN 62 2HB ASN 62 -13.225 4.406 -8.614 452 HD21 ASN 62 1HD2 ASN 62 -14.749 5.916 -8.601 453 HD22 ASN 62 2HD2 ASN 62 -14.617 7.507 -9.272 454 H THR 63 H THR 63 -11.138 3.007 -7.256 455 HA THR 63 HA THR 63 -11.060 5.068 -5.195 456 HB THR 63 HB THR 63 -11.491 3.036 -3.726 457 HG1 THR 63 1HG THR 63 -11.843 1.054 -5.007 458 HG21 THR 63 1HG2 THR 63 -13.651 2.281 -5.153 459 HG22 THR 63 2HG2 THR 63 -13.600 3.863 -4.340 460 HG23 THR 63 3HG2 THR 63 -13.247 3.746 -6.081 461 H ARG 64 H ARG 64 -8.737 4.593 -7.018 462 HA ARG 64 HA ARG 64 -6.876 3.350 -5.213 463 HB2 ARG 64 1HB ARG 64 -6.826 2.968 -7.734 464 HB3 ARG 64 2HB ARG 64 -6.362 4.646 -7.937 465 HG2 ARG 64 1HG ARG 64 -4.508 3.853 -6.068 466 HG3 ARG 64 2HG ARG 64 -4.755 2.341 -6.919 467 HD2 ARG 64 1HD ARG 64 -3.852 3.142 -8.908 468 HD3 ARG 64 2HD ARG 64 -4.419 4.778 -8.639 469 HE ARG 64 HE ARG 64 -2.495 4.303 -6.636 470 HH11 ARG 64 2HH2 ARG 64 -2.580 4.387 -10.153 471 HH12 ARG 64 1HH2 ARG 64 -0.926 4.879 -10.308 472 HH21 ARG 64 2HH1 ARG 64 -0.313 4.952 -6.840 473 HH22 ARG 64 1HH1 ARG 64 0.372 5.203 -8.411 474 H VAL 65 H VAL 65 -5.442 4.497 -3.906 475 HA VAL 65 HA VAL 65 -5.521 7.417 -4.195 476 HB VAL 65 HB VAL 65 -4.835 5.748 -1.770 477 HG11 VAL 65 1HG1 VAL 65 -5.172 7.890 -0.552 478 HG12 VAL 65 2HG1 VAL 65 -3.813 7.947 -1.699 479 HG13 VAL 65 3HG1 VAL 65 -5.362 8.719 -2.116 480 HG21 VAL 65 1HG2 VAL 65 -7.120 5.305 -2.161 481 HG22 VAL 65 2HG2 VAL 65 -7.105 6.615 -0.955 482 HG23 VAL 65 3HG2 VAL 65 -7.448 6.981 -2.663 483 H THR 66 H THR 66 -3.455 8.566 -3.631 484 HA THR 66 HA THR 66 -1.104 6.902 -4.224 485 HB THR 66 HB THR 66 -1.736 9.652 -5.417 486 HG1 THR 66 1HG THR 66 -2.544 8.410 -7.114 487 HG21 THR 66 1HG2 THR 66 0.406 9.573 -6.202 488 HG22 THR 66 2HG2 THR 66 0.683 8.077 -5.279 489 HG23 THR 66 3HG2 THR 66 0.068 7.993 -6.947 490 H HIS 67 H HIS 67 0.284 6.964 -2.584 491 HA HIS 67 HA HIS 67 0.557 9.530 -1.212 492 HB2 HIS 67 1HB HIS 67 0.934 7.175 0.503 493 HB3 HIS 67 2HB HIS 67 0.134 8.698 0.834 494 HD1 HIS 67 1HD HIS 67 -0.666 5.701 -1.447 495 HD2 HIS 67 2HD HIS 67 -2.503 8.262 1.321 496 HE1 HIS 67 1HE HIS 67 -3.097 4.946 -1.279 497 H TYR 68 H TYR 68 2.683 10.067 -0.584 498 HA TYR 68 HA TYR 68 4.722 8.150 -1.497 499 HB2 TYR 68 1HB TYR 68 4.692 11.233 -1.462 500 HB3 TYR 68 2HB TYR 68 5.978 10.250 -2.133 501 HD1 TYR 68 1HD TYR 68 5.156 8.524 -4.023 502 HD2 TYR 68 2HD TYR 68 3.127 12.127 -2.925 503 HE1 TYR 68 1HE TYR 68 4.002 8.573 -6.288 504 HE2 TYR 68 2HE TYR 68 1.979 12.163 -5.194 505 HH TYR 68 HH TYR 68 2.377 9.487 -7.458 506 H LEU 69 H LEU 69 5.508 7.260 0.378 507 HA LEU 69 HA LEU 69 5.954 9.071 2.626 508 HB2 LEU 69 1HB LEU 69 6.329 6.106 2.741 509 HB3 LEU 69 2HB LEU 69 5.893 7.228 4.015 510 HG LEU 69 HG LEU 69 3.960 6.868 1.764 511 HD11 LEU 69 1HD1 LEU 69 4.869 4.691 3.522 512 HD12 LEU 69 2HD1 LEU 69 3.107 4.941 3.503 513 HD13 LEU 69 3HD1 LEU 69 3.980 4.638 1.981 514 HD21 LEU 69 1HD2 LEU 69 2.316 7.277 3.462 515 HD22 LEU 69 2HD2 LEU 69 3.534 7.124 4.751 516 HD23 LEU 69 3HD2 LEU 69 3.605 8.496 3.619 517 HA PRO 70 HA PRO 70 10.235 8.973 2.100 518 HB2 PRO 70 1HB PRO 70 11.199 9.029 4.657 519 HB3 PRO 70 2HB PRO 70 10.588 10.449 3.832 520 HG2 PRO 70 1HG PRO 70 9.307 8.846 5.960 521 HG3 PRO 70 2HG PRO 70 8.926 10.472 5.431 522 HD2 PRO 70 1HD PRO 70 7.468 8.080 4.813 523 HD3 PRO 70 2HD PRO 70 7.155 9.688 4.191 524 H ASN 71 H ASN 71 12.425 7.918 2.788 525 HA ASN 71 HA ASN 71 11.895 5.145 2.410 526 HB2 ASN 71 1HB ASN 71 14.330 4.952 2.128 527 HB3 ASN 71 2HB ASN 71 13.782 6.369 1.255 528 HD21 ASN 71 1HD2 ASN 71 16.403 5.728 2.333 529 HD22 ASN 71 2HD2 ASN 71 16.849 7.001 3.420 530 H VAL 72 H VAL 72 11.366 6.786 5.049 531 HA VAL 72 HA VAL 72 12.979 5.098 6.833 532 HB VAL 72 HB VAL 72 12.686 6.807 8.507 533 HG11 VAL 72 1HG1 VAL 72 13.650 7.863 5.832 534 HG12 VAL 72 2HG1 VAL 72 13.901 8.704 7.380 535 HG13 VAL 72 3HG1 VAL 72 14.616 7.096 7.115 536 HG21 VAL 72 1HG2 VAL 72 11.167 8.465 8.450 537 HG22 VAL 72 2HG2 VAL 72 11.524 8.864 6.752 538 HG23 VAL 72 3HG2 VAL 72 10.411 7.530 7.138 539 H THR 73 H THR 73 9.830 5.822 5.555 540 HA THR 73 HA THR 73 8.583 4.320 7.759 541 HB THR 73 HB THR 73 7.525 6.385 5.765 542 HG1 THR 73 1HG THR 73 8.007 7.575 7.565 543 HG21 THR 73 1HG2 THR 73 6.031 4.848 7.955 544 HG22 THR 73 2HG2 THR 73 5.366 6.171 6.968 545 HG23 THR 73 3HG2 THR 73 5.781 4.616 6.208 546 H LEU 74 H LEU 74 7.291 2.525 7.350 547 HA LEU 74 HA LEU 74 7.192 1.650 4.566 548 HB2 LEU 74 1HB LEU 74 7.951 -0.316 6.688 549 HB3 LEU 74 2HB LEU 74 8.152 -0.415 4.950 550 HG LEU 74 HG LEU 74 9.673 1.741 6.320 551 HD11 LEU 74 1HD1 LEU 74 9.884 -0.116 7.921 552 HD12 LEU 74 2HD1 LEU 74 10.474 -1.168 6.612 553 HD13 LEU 74 3HD1 LEU 74 11.424 0.253 7.109 554 HD21 LEU 74 1HD2 LEU 74 10.834 1.708 4.427 555 HD22 LEU 74 2HD2 LEU 74 11.149 -0.038 4.572 556 HD23 LEU 74 3HD2 LEU 74 9.652 0.535 3.799 557 H GLU 75 H GLU 75 5.467 2.710 7.028 558 HA GLU 75 HA GLU 75 3.321 0.880 6.422 559 HB2 GLU 75 1HB GLU 75 2.688 0.631 8.802 560 HB3 GLU 75 2HB GLU 75 4.281 -0.034 8.498 561 HG2 GLU 75 1HG GLU 75 4.297 2.846 9.246 562 HG3 GLU 75 2HG GLU 75 3.676 1.789 10.498 563 H TYR 76 H TYR 76 1.251 1.876 6.473 564 HA TYR 76 HA TYR 76 1.091 4.588 7.499 565 HB2 TYR 76 1HB TYR 76 1.899 4.736 5.111 566 HB3 TYR 76 2HB TYR 76 0.619 3.654 4.600 567 HD1 TYR 76 1HD TYR 76 -1.770 4.435 4.654 568 HD2 TYR 76 2HD TYR 76 1.508 7.084 5.392 569 HE1 TYR 76 1HE TYR 76 -3.280 6.435 4.224 570 HE2 TYR 76 2HE TYR 76 -0.013 9.075 4.959 571 HH TYR 76 HH TYR 76 -2.343 9.260 3.430 572 H ARG 77 H ARG 77 -1.029 5.210 8.042 573 HA ARG 77 HA ARG 77 -2.813 3.004 8.244 574 HB2 ARG 77 1HB ARG 77 -2.516 4.663 10.099 575 HB3 ARG 77 2HB ARG 77 -3.145 5.934 9.069 576 HG2 ARG 77 1HG ARG 77 -5.301 5.326 9.472 577 HG3 ARG 77 2HG ARG 77 -4.972 3.642 9.118 578 HD2 ARG 77 1HD ARG 77 -5.731 4.036 11.496 579 HD3 ARG 77 2HD ARG 77 -4.178 3.233 11.388 580 HE ARG 77 HE ARG 77 -4.623 6.081 12.154 581 HH11 ARG 77 2HH2 ARG 77 -2.414 3.377 11.722 582 HH12 ARG 77 1HH2 ARG 77 -1.125 4.122 12.608 583 HH21 ARG 77 2HH1 ARG 77 -2.924 7.065 13.323 584 HH22 ARG 77 1HH1 ARG 77 -1.418 6.234 13.524 585 H VAL 78 H VAL 78 -4.586 2.595 6.924 586 HA VAL 78 HA VAL 78 -5.106 4.579 4.834 587 HB VAL 78 HB VAL 78 -5.748 1.628 5.009 588 HG11 VAL 78 1HG1 VAL 78 -6.038 2.151 2.410 589 HG12 VAL 78 2HG1 VAL 78 -7.382 2.324 3.564 590 HG13 VAL 78 3HG1 VAL 78 -6.468 3.759 3.040 591 HG21 VAL 78 1HG2 VAL 78 -3.537 3.180 3.659 592 HG22 VAL 78 2HG2 VAL 78 -3.423 1.757 4.722 593 HG23 VAL 78 3HG2 VAL 78 -4.051 1.582 3.065 594 H THR 79 H THR 79 -7.257 5.268 4.380 595 HA THR 79 HA THR 79 -9.413 4.321 6.025 596 HB THR 79 HB THR 79 -9.782 6.646 7.019 597 HG1 THR 79 1HG THR 79 -8.426 7.887 5.652 598 HG21 THR 79 1HG2 THR 79 -8.190 6.422 8.808 599 HG22 THR 79 2HG2 THR 79 -8.479 4.753 8.259 600 HG23 THR 79 3HG2 THR 79 -7.006 5.615 7.753 601 H GLY 80 H GLY 80 -11.458 4.910 5.233 602 HA2 GLY 80 1HA GLY 80 -12.819 6.238 3.821 603 HA3 GLY 80 2HA GLY 80 -11.438 6.563 2.793 604 H LEU 81 H LEU 81 -11.765 3.286 4.030 605 HA LEU 81 HA LEU 81 -12.165 2.344 1.339 606 HB2 LEU 81 1HB LEU 81 -12.009 0.620 3.788 607 HB3 LEU 81 2HB LEU 81 -11.540 0.249 2.141 608 HG LEU 81 HG LEU 81 -10.081 2.387 3.675 609 HD11 LEU 81 1HD1 LEU 81 -10.251 -0.345 4.490 610 HD12 LEU 81 2HD1 LEU 81 -8.616 -0.042 3.856 611 HD13 LEU 81 3HD1 LEU 81 -9.263 0.971 5.169 612 HD21 LEU 81 1HD2 LEU 81 -9.887 1.403 1.083 613 HD22 LEU 81 2HD2 LEU 81 -8.684 2.395 1.942 614 HD23 LEU 81 3HD2 LEU 81 -8.542 0.620 1.948 615 H THR 82 H THR 82 -13.575 -0.109 2.723 616 HA THR 82 HA THR 82 -16.205 1.057 3.172 617 HB THR 82 HB THR 82 -15.584 -0.960 0.948 618 HG1 THR 82 1HG THR 82 -16.587 1.799 1.015 619 HG21 THR 82 1HG2 THR 82 -18.034 -0.151 0.346 620 HG22 THR 82 2HG2 THR 82 -17.832 -1.434 1.563 621 HG23 THR 82 3HG2 THR 82 -18.138 0.241 2.079 622 H ALA 83 H ALA 83 -17.646 -0.299 4.314 623 HA ALA 83 HA ALA 83 -16.317 -2.068 6.074 624 HB1 ALA 83 1HB ALA 83 -18.127 -0.947 7.023 625 HB2 ALA 83 2HB ALA 83 -19.149 -1.159 5.581 626 HB3 ALA 83 3HB ALA 83 -18.844 -2.537 6.667 627 H LEU 84 H LEU 84 -16.281 -4.322 6.157 628 HA LEU 84 HA LEU 84 -16.040 -6.303 5.149 629 HB2 LEU 84 1HB LEU 84 -18.985 -5.888 4.625 630 HB3 LEU 84 2HB LEU 84 -18.148 -7.422 4.744 631 HG LEU 84 HG LEU 84 -18.731 -5.442 6.949 632 HD11 LEU 84 1HD1 LEU 84 -20.580 -6.782 6.815 633 HD12 LEU 84 2HD1 LEU 84 -19.666 -8.184 6.211 634 HD13 LEU 84 3HD1 LEU 84 -19.580 -7.741 7.933 635 HD21 LEU 84 1HD2 LEU 84 -16.529 -6.020 7.476 636 HD22 LEU 84 2HD2 LEU 84 -17.515 -7.160 8.422 637 HD23 LEU 84 3HD2 LEU 84 -16.732 -7.697 6.917 638 H THR 85 H THR 85 -14.779 -4.804 3.466 639 HA THR 85 HA THR 85 -15.783 -5.653 0.850 640 HB THR 85 HB THR 85 -15.039 -2.830 1.744 641 HG1 THR 85 1HG THR 85 -17.287 -3.571 1.782 642 HG21 THR 85 1HG2 THR 85 -14.000 -3.752 -0.575 643 HG22 THR 85 2HG2 THR 85 -15.673 -3.506 -1.129 644 HG23 THR 85 3HG2 THR 85 -14.743 -2.137 -0.474 645 H THR 86 H THR 86 -14.175 -6.073 -0.712 646 HA THR 86 HA THR 86 -11.620 -6.708 0.514 647 HB THR 86 HB THR 86 -12.769 -7.274 -2.271 648 HG1 THR 86 1HG THR 86 -13.739 -8.952 -1.170 649 HG21 THR 86 1HG2 THR 86 -11.058 -8.909 -2.498 650 HG22 THR 86 2HG2 THR 86 -10.183 -7.542 -1.767 651 HG23 THR 86 3HG2 THR 86 -10.704 -8.909 -0.753 652 H TYR 87 H TYR 87 -9.756 -5.622 0.272 653 HA TYR 87 HA TYR 87 -9.654 -3.631 -1.879 654 HB2 TYR 87 1HB TYR 87 -9.265 -3.444 1.144 655 HB3 TYR 87 2HB TYR 87 -8.303 -2.390 0.126 656 HD1 TYR 87 1HD TYR 87 -11.730 -3.195 1.240 657 HD2 TYR 87 2HD TYR 87 -9.298 -0.511 -1.037 658 HE1 TYR 87 1HE TYR 87 -13.656 -1.539 1.122 659 HE2 TYR 87 2HE TYR 87 -11.232 1.136 -1.147 660 HH TYR 87 HH TYR 87 -13.208 1.643 -0.347 661 H THR 88 H THR 88 -7.508 -3.124 -2.630 662 HA THR 88 HA THR 88 -5.467 -5.027 -1.685 663 HB THR 88 HB THR 88 -6.624 -4.508 -4.390 664 HG1 THR 88 1HG THR 88 -5.599 -6.748 -4.459 665 HG21 THR 88 1HG2 THR 88 -4.260 -3.519 -4.556 666 HG22 THR 88 2HG2 THR 88 -3.644 -5.109 -4.045 667 HG23 THR 88 3HG2 THR 88 -4.538 -4.950 -5.576 668 H ILE 89 H ILE 89 -3.904 -3.978 -0.641 669 HA ILE 89 HA ILE 89 -3.436 -1.196 -1.345 670 HB ILE 89 HB ILE 89 -2.102 -2.726 0.868 671 HG12 ILE 89 1HG1 ILE 89 -4.431 -3.230 1.171 672 HG13 ILE 89 2HG1 ILE 89 -3.957 -2.029 2.356 673 HG21 ILE 89 1HG2 ILE 89 -1.196 -0.538 0.408 674 HG22 ILE 89 2HG2 ILE 89 -2.820 0.189 0.460 675 HG23 ILE 89 3HG2 ILE 89 -2.102 -0.492 1.940 676 HD11 ILE 89 1HD1 ILE 89 -6.183 -1.746 0.886 677 HD12 ILE 89 2HD1 ILE 89 -5.205 -0.337 1.362 678 HD13 ILE 89 3HD1 ILE 89 -5.036 -1.028 -0.270 679 H GLU 90 H GLU 90 -1.925 -0.665 -2.820 680 HA GLU 90 HA GLU 90 0.097 -2.672 -3.373 681 HB2 GLU 90 1HB GLU 90 -0.517 -0.187 -5.018 682 HB3 GLU 90 2HB GLU 90 0.372 -1.609 -5.526 683 HG2 GLU 90 1HG GLU 90 -1.560 -2.539 -6.256 684 HG3 GLU 90 2HG GLU 90 -2.159 -2.561 -4.609 685 H VAL 91 H VAL 91 2.098 -2.406 -2.492 686 HA VAL 91 HA VAL 91 2.868 0.337 -1.775 687 HB VAL 91 HB VAL 91 3.640 -2.333 -0.587 688 HG11 VAL 91 1HG1 VAL 91 4.446 0.213 0.729 689 HG12 VAL 91 2HG1 VAL 91 5.276 -1.360 0.661 690 HG13 VAL 91 3HG1 VAL 91 5.346 -0.256 -0.733 691 HG21 VAL 91 1HG2 VAL 91 2.173 -0.017 0.708 692 HG22 VAL 91 2HG2 VAL 91 1.358 -1.414 -0.035 693 HG23 VAL 91 3HG2 VAL 91 2.432 -1.651 1.365 694 H ALA 92 H ALA 92 4.400 1.236 -3.043 695 HA ALA 92 HA ALA 92 6.248 -0.616 -4.388 696 HB1 ALA 92 1HB ALA 92 5.467 0.224 -6.320 697 HB2 ALA 92 2HB ALA 92 4.424 1.373 -5.447 698 HB3 ALA 92 3HB ALA 92 6.104 1.814 -5.835 699 H ALA 93 H ALA 93 8.407 0.408 -4.898 700 HA ALA 93 HA ALA 93 9.147 2.149 -2.659 701 HB1 ALA 93 1HB ALA 93 11.500 1.276 -3.422 702 HB2 ALA 93 2HB ALA 93 10.421 0.192 -2.512 703 HB3 ALA 93 3HB ALA 93 10.562 0.029 -4.279 704 H MET 94 H MET 94 10.860 3.811 -3.132 705 HA MET 94 HA MET 94 10.841 4.638 -5.910 706 HB2 MET 94 1HB MET 94 10.250 6.515 -3.555 707 HB3 MET 94 2HB MET 94 10.266 6.966 -5.248 708 HG2 MET 94 1HG MET 94 8.280 5.699 -5.726 709 HG3 MET 94 2HG MET 94 8.399 4.787 -4.234 710 HE1 MET 94 1HE MET 94 8.166 7.976 -5.931 711 HE2 MET 94 2HE MET 94 6.480 8.340 -5.492 712 HE3 MET 94 3HE MET 94 7.814 9.202 -4.690 713 H THR 95 H THR 95 12.835 5.371 -6.593 714 HA THR 95 HA THR 95 14.789 5.987 -4.475 715 HB THR 95 HB THR 95 16.456 4.904 -6.071 716 HG1 THR 95 1HG THR 95 15.573 4.152 -7.986 717 HG21 THR 95 1HG2 THR 95 14.468 3.568 -4.445 718 HG22 THR 95 2HG2 THR 95 14.702 2.620 -5.934 719 HG23 THR 95 3HG2 THR 95 16.092 2.988 -4.885 720 H SER 96 H SER 96 16.874 6.758 -6.256 721 HA SER 96 HA SER 96 15.921 9.385 -6.779 722 HB2 SER 96 1HB SER 96 18.101 9.367 -5.905 723 HB3 SER 96 2HB SER 96 18.592 7.984 -6.862 724 HG SER 96 HG SER 96 19.349 9.337 -8.325 725 H LYS 97 H LYS 97 15.460 6.604 -8.437 726 HA LYS 97 HA LYS 97 15.937 7.851 -11.053 727 HB2 LYS 97 1HB LYS 97 16.862 5.934 -11.682 728 HB3 LYS 97 2HB LYS 97 16.666 5.306 -10.058 729 HG2 LYS 97 1HG LYS 97 15.507 3.746 -11.436 730 HG3 LYS 97 2HG LYS 97 14.237 4.718 -10.722 731 HD2 LYS 97 1HD LYS 97 14.959 6.131 -13.062 732 HD3 LYS 97 2HD LYS 97 15.005 4.447 -13.546 733 HE2 LYS 97 1HE LYS 97 12.649 4.989 -11.881 734 HE3 LYS 97 2HE LYS 97 12.700 6.071 -13.259 735 HZ1 LYS 97 1HZ LYS 97 12.662 4.308 -14.715 736 HZ2 LYS 97 2HZ LYS 97 13.179 3.213 -13.619 737 HZ3 LYS 97 3HZ LYS 97 11.653 3.792 -13.539 738 H GLY 98 H GLY 98 13.613 6.059 -8.967 739 HA2 GLY 98 1HA GLY 98 11.371 7.438 -9.591 740 HA3 GLY 98 2HA GLY 98 11.488 6.284 -10.905 741 H GLN 99 H GLN 99 9.576 5.153 -10.211 742 HA GLN 99 HA GLN 99 9.848 3.840 -7.633 743 HB2 GLN 99 1HB GLN 99 7.754 5.140 -8.093 744 HB3 GLN 99 2HB GLN 99 7.406 4.081 -9.445 745 HG2 GLN 99 1HG GLN 99 7.838 2.237 -7.428 746 HG3 GLN 99 2HG GLN 99 7.146 3.568 -6.522 747 HE21 GLN 99 1HE2 GLN 99 5.060 4.238 -6.883 748 HE22 GLN 99 2HE2 GLN 99 3.900 3.325 -7.789 749 H GLY 100 H GLY 100 9.663 1.533 -7.441 750 HA2 GLY 100 1HA GLY 100 10.221 0.121 -9.971 751 HA3 GLY 100 2HA GLY 100 10.751 -0.369 -8.374 752 H GLN 101 H GLN 101 9.779 -2.479 -8.636 753 HA GLN 101 HA GLN 101 7.260 -2.997 -9.438 754 HB2 GLN 101 1HB GLN 101 9.340 -4.446 -8.324 755 HB3 GLN 101 2HB GLN 101 8.109 -4.596 -7.085 756 HG2 GLN 101 1HG GLN 101 6.791 -5.943 -8.382 757 HG3 GLN 101 2HG GLN 101 7.018 -4.952 -9.810 758 HE21 GLN 101 1HE2 GLN 101 7.254 -7.931 -8.973 759 HE22 GLN 101 2HE2 GLN 101 8.708 -8.474 -9.742 760 H VAL 102 H VAL 102 5.520 -4.047 -7.736 761 HA VAL 102 HA VAL 102 5.221 -2.280 -5.448 762 HB VAL 102 HB VAL 102 4.115 -1.415 -7.680 763 HG11 VAL 102 1HG1 VAL 102 1.731 -2.929 -6.698 764 HG12 VAL 102 2HG1 VAL 102 2.103 -2.303 -8.322 765 HG13 VAL 102 3HG1 VAL 102 2.897 -3.784 -7.736 766 HG21 VAL 102 1HG2 VAL 102 2.785 -0.052 -6.382 767 HG22 VAL 102 2HG2 VAL 102 2.276 -1.379 -5.310 768 HG23 VAL 102 3HG2 VAL 102 3.906 -0.681 -5.151 769 H SER 103 H SER 103 4.117 -3.258 -3.738 770 HA SER 103 HA SER 103 3.496 -6.052 -4.243 771 HB2 SER 103 1HB SER 103 4.655 -4.538 -1.966 772 HB3 SER 103 2HB SER 103 3.479 -5.747 -1.491 773 HG SER 103 HG SER 103 4.996 -6.962 -3.316 774 H ALA 104 H ALA 104 1.326 -6.203 -4.787 775 HA ALA 104 HA ALA 104 -0.556 -4.565 -3.260 776 HB1 ALA 104 1HB ALA 104 -0.337 -5.487 -6.004 777 HB2 ALA 104 2HB ALA 104 -1.883 -6.011 -5.295 778 HB3 ALA 104 3HB ALA 104 -1.447 -4.285 -5.304 779 H SER 105 H SER 105 -1.537 -5.474 -1.530 780 HA SER 105 HA SER 105 -1.834 -8.376 -1.617 781 HB2 SER 105 1HB SER 105 -0.517 -6.729 0.318 782 HB3 SER 105 2HB SER 105 -1.973 -7.330 1.085 783 HG SER 105 HG SER 105 -0.068 -8.751 1.298 784 H THR 106 H THR 106 -3.928 -9.139 -1.457 785 HA THR 106 HA THR 106 -6.046 -7.204 -1.284 786 HB THR 106 HB THR 106 -6.495 -10.188 -1.283 787 HG1 THR 106 1HG THR 106 -5.236 -10.352 -3.101 788 HG21 THR 106 1HG2 THR 106 -7.751 -9.246 -3.474 789 HG22 THR 106 2HG2 THR 106 -8.494 -9.101 -1.863 790 HG23 THR 106 3HG2 THR 106 -7.644 -7.711 -2.579 791 H ILE 107 H ILE 107 -7.382 -6.725 0.382 792 HA ILE 107 HA ILE 107 -7.365 -8.469 2.695 793 HB ILE 107 HB ILE 107 -5.525 -7.129 3.279 794 HG12 ILE 107 1HG1 ILE 107 -6.482 -5.690 5.162 795 HG13 ILE 107 2HG1 ILE 107 -8.071 -6.167 4.598 796 HG21 ILE 107 1HG2 ILE 107 -6.210 -4.474 3.342 797 HG22 ILE 107 2HG2 ILE 107 -5.229 -5.263 2.083 798 HG23 ILE 107 3HG2 ILE 107 -6.975 -5.026 1.833 799 HD11 ILE 107 1HD1 ILE 107 -7.757 -8.426 5.170 800 HD12 ILE 107 2HD1 ILE 107 -5.984 -8.302 5.092 801 HD13 ILE 107 3HD1 ILE 107 -6.866 -7.593 6.466 802 H SER 108 H SER 108 -9.362 -8.544 3.654 803 HA SER 108 HA SER 108 -11.320 -6.762 2.468 804 HB2 SER 108 1HB SER 108 -12.099 -8.942 2.166 805 HB3 SER 108 2HB SER 108 -11.404 -9.519 3.667 806 HG SER 108 HG SER 108 -13.663 -7.710 3.503 807 H SER 109 H SER 109 -12.052 -5.047 3.668 808 HA SER 109 HA SER 109 -11.151 -4.270 6.014 809 HB2 SER 109 1HB SER 109 -13.350 -3.046 6.330 810 HB3 SER 109 2HB SER 109 -12.621 -2.845 4.749 811 HG SER 109 HG SER 109 -14.956 -3.319 4.714 812 H GLY 110 H GLY 110 -11.738 -4.450 8.273 813 HA2 GLY 110 1HA GLY 110 -12.392 -7.020 9.150 814 HA3 GLY 110 2HA GLY 110 -12.353 -5.564 10.124 815 H VAL 111 H VAL 111 -14.289 -4.356 10.518 816 HA VAL 111 HA VAL 111 -16.702 -4.830 9.216 817 HB VAL 111 HB VAL 111 -16.567 -7.056 10.158 818 HG11 VAL 111 1HG1 VAL 111 -15.090 -6.627 12.052 819 HG12 VAL 111 2HG1 VAL 111 -16.361 -5.676 12.856 820 HG13 VAL 111 3HG1 VAL 111 -16.583 -7.424 12.603 821 HG21 VAL 111 1HG2 VAL 111 -18.687 -6.996 11.566 822 HG22 VAL 111 2HG2 VAL 111 -18.628 -5.224 11.412 823 HG23 VAL 111 3HG2 VAL 111 -18.788 -6.239 9.958 824 HA PRO 112 HA PRO 112 -17.328 -1.238 11.549 825 HB2 PRO 112 1HB PRO 112 -19.933 -0.713 10.913 826 HB3 PRO 112 2HB PRO 112 -18.589 -0.292 9.871 827 HG2 PRO 112 1HG PRO 112 -20.541 -2.493 9.579 828 HG3 PRO 112 2HG PRO 112 -19.480 -1.798 8.369 829 HD2 PRO 112 1HD PRO 112 -19.120 -4.292 9.739 830 HD3 PRO 112 2HD PRO 112 -18.003 -3.543 8.616 831 HA PRO 113 HA PRO 113 -18.916 -2.702 15.241 832 HB2 PRO 113 1HB PRO 113 -18.103 -0.659 16.863 833 HB3 PRO 113 2HB PRO 113 -17.075 -2.014 16.439 834 HG2 PRO 113 1HG PRO 113 -16.987 0.764 15.433 835 HG3 PRO 113 2HG PRO 113 -15.745 -0.470 15.359 836 HD2 PRO 113 1HD PRO 113 -17.444 0.385 13.212 837 HD3 PRO 113 2HD PRO 113 -16.283 -0.927 13.171 838 H SER 114 H SER 114 -19.673 0.310 13.789 839 HA SER 114 HA SER 114 -21.338 1.712 14.103 840 HB2 SER 114 1HB SER 114 -22.233 -0.674 13.084 841 HB3 SER 114 2HB SER 114 -23.317 -0.496 14.449 842 HG SER 114 HG SER 114 -23.786 1.712 13.623 843 H GLY 115 H GLY 115 -20.521 2.345 16.311 844 HA2 GLY 115 1HA GLY 115 -21.036 2.985 18.412 845 HA3 GLY 115 2HA GLY 115 -22.628 2.277 18.222 846 HA PRO 116 HA PRO 116 -19.611 -0.972 19.973 847 HB2 PRO 116 1HB PRO 116 -17.402 -0.028 21.275 848 HB3 PRO 116 2HB PRO 116 -17.366 -0.605 19.621 849 HG2 PRO 116 1HG PRO 116 -17.278 2.177 20.615 850 HG3 PRO 116 2HG PRO 116 -16.823 1.560 19.039 851 HD2 PRO 116 1HD PRO 116 -19.229 2.976 19.698 852 HD3 PRO 116 2HD PRO 116 -18.826 2.258 18.151 853 H SER 117 H SER 117 -20.492 -1.959 21.678 854 HA SER 117 HA SER 117 -20.970 -0.148 23.915 855 HB2 SER 117 1HB SER 117 -22.600 -2.625 23.215 856 HB3 SER 117 2HB SER 117 -22.988 -1.416 24.423 857 HG SER 117 HG SER 117 -22.756 0.045 22.277 858 H SER 118 H SER 118 -20.363 -3.589 22.931 859 HA SER 118 HA SER 118 -19.898 -4.535 25.479 860 HB2 SER 118 1HB SER 118 -18.955 -5.435 22.734 861 HB3 SER 118 2HB SER 118 -18.515 -6.321 24.180 862 HG SER 118 HG SER 118 -21.259 -5.676 23.542 863 H GLY 119 H GLY 119 -17.498 -3.597 22.899 864 HA2 GLY 119 1HA GLY 119 -15.800 -1.979 23.946 865 HA3 GLY 119 2HA GLY 119 -15.451 -3.334 25.000 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.603 -16.859 9.046 2 HA2 GLY 1 1HA GLY 1 -1.303 -18.191 7.620 3 HA3 GLY 1 2HA GLY 1 -1.891 -17.300 6.230 4 H SER 2 H SER 2 0.340 -17.254 9.015 5 HA SER 2 HA SER 2 1.528 -14.831 7.938 6 HB2 SER 2 1HB SER 2 1.082 -14.608 10.278 7 HB3 SER 2 2HB SER 2 1.688 -16.212 10.637 8 HG SER 2 HG SER 2 3.110 -14.235 11.100 9 H SER 3 H SER 3 2.501 -18.047 9.353 10 HA SER 3 HA SER 3 5.096 -18.038 8.717 11 HB2 SER 3 1HB SER 3 3.991 -19.859 9.948 12 HB3 SER 3 2HB SER 3 3.137 -20.365 8.504 13 HG SER 3 HG SER 3 4.871 -21.728 8.539 14 H GLY 4 H GLY 4 2.456 -19.365 6.581 15 HA2 GLY 4 1HA GLY 4 4.004 -19.938 4.362 16 HA3 GLY 4 2HA GLY 4 2.298 -19.537 4.346 17 H SER 5 H SER 5 5.117 -18.708 2.914 18 HA SER 5 HA SER 5 4.129 -16.354 1.880 19 HB2 SER 5 1HB SER 5 5.776 -14.715 2.842 20 HB3 SER 5 2HB SER 5 4.591 -15.279 4.004 21 HG SER 5 HG SER 5 6.151 -16.138 5.193 22 H SER 6 H SER 6 5.770 -15.319 0.359 23 HA SER 6 HA SER 6 7.358 -15.423 -1.118 24 HB2 SER 6 1HB SER 6 8.687 -16.117 1.178 25 HB3 SER 6 2HB SER 6 9.003 -17.538 0.202 26 HG SER 6 HG SER 6 9.340 -15.136 -1.203 27 H GLY 7 H GLY 7 8.172 -16.798 -2.931 28 HA2 GLY 7 1HA GLY 7 7.096 -19.533 -2.959 29 HA3 GLY 7 2HA GLY 7 6.569 -18.398 -4.186 30 HA PRO 8 HA PRO 8 10.696 -20.277 -5.257 31 HB2 PRO 8 1HB PRO 8 9.991 -22.424 -6.793 32 HB3 PRO 8 2HB PRO 8 10.434 -22.559 -5.103 33 HG2 PRO 8 1HG PRO 8 7.751 -22.714 -6.334 34 HG3 PRO 8 2HG PRO 8 8.264 -23.257 -4.749 35 HD2 PRO 8 1HD PRO 8 6.768 -20.885 -5.348 36 HD3 PRO 8 2HD PRO 8 7.381 -21.369 -3.780 37 H GLN 9 H GLN 9 11.885 -19.979 -7.186 38 HA GLN 9 HA GLN 9 10.641 -19.709 -9.611 39 HB2 GLN 9 1HB GLN 9 10.166 -17.430 -7.912 40 HB3 GLN 9 2HB GLN 9 11.236 -16.923 -9.203 41 HG2 GLN 9 1HG GLN 9 9.543 -18.252 -10.761 42 HG3 GLN 9 2HG GLN 9 8.443 -18.079 -9.408 43 HE21 GLN 9 1HE2 GLN 9 9.041 -16.835 -12.244 44 HE22 GLN 9 2HE2 GLN 9 8.714 -15.149 -12.019 45 H LEU 10 H LEU 10 12.150 -18.337 -11.197 46 HA LEU 10 HA LEU 10 14.761 -17.761 -10.368 47 HB2 LEU 10 1HB LEU 10 15.266 -19.975 -10.000 48 HB3 LEU 10 2HB LEU 10 14.230 -20.551 -11.290 49 HG LEU 10 HG LEU 10 16.274 -18.968 -12.493 50 HD11 LEU 10 1HD1 LEU 10 17.867 -19.133 -10.871 51 HD12 LEU 10 2HD1 LEU 10 17.214 -20.655 -10.219 52 HD13 LEU 10 3HD1 LEU 10 18.165 -20.667 -11.724 53 HD21 LEU 10 1HD2 LEU 10 15.754 -21.953 -12.459 54 HD22 LEU 10 2HD2 LEU 10 15.112 -20.761 -13.615 55 HD23 LEU 10 3HD2 LEU 10 16.856 -21.117 -13.580 56 H VAL 11 H VAL 11 15.186 -16.118 -11.731 57 HA VAL 11 HA VAL 11 15.267 -16.485 -14.501 58 HB VAL 11 HB VAL 11 12.798 -16.475 -14.186 59 HG11 VAL 11 1HG1 VAL 11 12.689 -14.910 -12.287 60 HG12 VAL 11 2HG1 VAL 11 13.224 -13.586 -13.349 61 HG13 VAL 11 3HG1 VAL 11 11.657 -14.379 -13.636 62 HG21 VAL 11 1HG2 VAL 11 12.336 -14.870 -15.996 63 HG22 VAL 11 2HG2 VAL 11 13.942 -14.141 -15.758 64 HG23 VAL 11 3HG2 VAL 11 13.803 -15.824 -16.322 65 H ARG 12 H ARG 12 16.022 -14.502 -15.600 66 HA ARG 12 HA ARG 12 17.186 -12.718 -13.622 67 HB2 ARG 12 1HB ARG 12 18.121 -13.794 -16.279 68 HB3 ARG 12 2HB ARG 12 18.649 -12.181 -15.846 69 HG2 ARG 12 1HG ARG 12 19.359 -13.201 -13.561 70 HG3 ARG 12 2HG ARG 12 19.132 -14.768 -14.314 71 HD2 ARG 12 1HD ARG 12 20.847 -14.343 -15.961 72 HD3 ARG 12 2HD ARG 12 20.886 -12.630 -15.594 73 HE ARG 12 HE ARG 12 21.502 -14.025 -13.191 74 HH11 ARG 12 2HH2 ARG 12 22.898 -13.487 -16.375 75 HH12 ARG 12 1HH2 ARG 12 24.532 -13.667 -15.830 76 HH21 ARG 12 2HH1 ARG 12 23.657 -14.262 -12.470 77 HH22 ARG 12 1HH1 ARG 12 24.967 -14.111 -13.593 78 H THR 13 H THR 13 16.399 -10.633 -13.571 79 HA THR 13 HA THR 13 15.391 -9.486 -16.069 80 HB THR 13 HB THR 13 13.378 -8.663 -14.752 81 HG1 THR 13 1HG THR 13 13.449 -9.160 -12.592 82 HG21 THR 13 1HG2 THR 13 13.641 -11.703 -14.559 83 HG22 THR 13 2HG2 THR 13 12.145 -10.755 -14.742 84 HG23 THR 13 3HG2 THR 13 13.298 -10.867 -16.093 85 H HIS 14 H HIS 14 16.523 -7.700 -16.459 86 HA HIS 14 HA HIS 14 17.862 -6.422 -14.261 87 HB2 HIS 14 1HB HIS 14 17.847 -5.912 -17.246 88 HB3 HIS 14 2HB HIS 14 18.777 -4.964 -16.104 89 HD1 HIS 14 1HD HIS 14 20.798 -6.176 -14.885 90 HD2 HIS 14 2HD HIS 14 18.914 -8.424 -17.884 91 HE1 HIS 14 1HE HIS 14 22.367 -8.117 -15.417 92 H GLU 15 H GLU 15 17.656 -4.103 -13.784 93 HA GLU 15 HA GLU 15 15.771 -2.476 -14.893 94 HB2 GLU 15 1HB GLU 15 14.638 -4.392 -12.926 95 HB3 GLU 15 2HB GLU 15 14.227 -2.718 -12.611 96 HG2 GLU 15 1HG GLU 15 13.918 -3.024 -15.415 97 HG3 GLU 15 2HG GLU 15 13.254 -4.493 -14.730 98 H ASP 16 H ASP 16 16.162 -0.402 -14.136 99 HA ASP 16 HA ASP 16 18.254 -0.073 -12.342 100 HB2 ASP 16 1HB ASP 16 17.383 1.506 -14.211 101 HB3 ASP 16 2HB ASP 16 16.175 2.037 -13.058 102 H VAL 17 H VAL 17 14.781 1.043 -12.106 103 HA VAL 17 HA VAL 17 14.768 1.790 -9.493 104 HB VAL 17 HB VAL 17 12.295 1.009 -9.642 105 HG11 VAL 17 1HG1 VAL 17 13.562 3.081 -11.455 106 HG12 VAL 17 2HG1 VAL 17 11.803 2.929 -11.223 107 HG13 VAL 17 3HG1 VAL 17 12.854 3.318 -9.839 108 HG21 VAL 17 1HG2 VAL 17 12.923 -0.591 -11.574 109 HG22 VAL 17 2HG2 VAL 17 11.435 0.373 -11.726 110 HG23 VAL 17 3HG2 VAL 17 12.908 0.867 -12.594 111 HA PRO 18 HA PRO 18 14.947 -1.796 -7.089 112 HB2 PRO 18 1HB PRO 18 13.262 -1.284 -5.000 113 HB3 PRO 18 2HB PRO 18 14.877 -0.615 -5.114 114 HG2 PRO 18 1HG PRO 18 12.280 0.723 -5.567 115 HG3 PRO 18 2HG PRO 18 13.847 1.444 -5.259 116 HD2 PRO 18 1HD PRO 18 12.507 1.265 -7.789 117 HD3 PRO 18 2HD PRO 18 14.122 1.881 -7.499 118 H GLY 19 H GLY 19 13.597 -3.537 -5.776 119 HA2 GLY 19 1HA GLY 19 11.618 -4.426 -7.754 120 HA3 GLY 19 2HA GLY 19 12.448 -5.415 -6.570 121 HA PRO 20 HA PRO 20 8.403 -4.609 -4.765 122 HB2 PRO 20 1HB PRO 20 7.884 -7.168 -3.957 123 HB3 PRO 20 2HB PRO 20 7.361 -6.526 -5.502 124 HG2 PRO 20 1HG PRO 20 9.572 -8.402 -4.927 125 HG3 PRO 20 2HG PRO 20 8.771 -8.084 -6.453 126 HD2 PRO 20 1HD PRO 20 11.351 -7.131 -5.637 127 HD3 PRO 20 2HD PRO 20 10.500 -6.720 -7.113 128 H VAL 21 H VAL 21 8.064 -3.788 -2.786 129 HA VAL 21 HA VAL 21 10.151 -3.818 -0.976 130 HB VAL 21 HB VAL 21 8.381 -3.012 0.627 131 HG11 VAL 21 1HG1 VAL 21 8.195 -0.882 -0.410 132 HG12 VAL 21 2HG1 VAL 21 9.728 -1.579 -0.987 133 HG13 VAL 21 3HG1 VAL 21 8.295 -1.584 -2.043 134 HG21 VAL 21 1HG2 VAL 21 6.239 -3.481 0.227 135 HG22 VAL 21 2HG2 VAL 21 6.308 -2.464 -1.232 136 HG23 VAL 21 3HG2 VAL 21 6.658 -4.206 -1.343 137 H GLY 22 H GLY 22 9.198 -4.494 1.543 138 HA2 GLY 22 1HA GLY 22 9.772 -7.218 1.701 139 HA3 GLY 22 2HA GLY 22 9.053 -6.232 2.959 140 H HIS 23 H HIS 23 7.541 -7.782 3.690 141 HA HIS 23 HA HIS 23 5.653 -8.748 1.692 142 HB2 HIS 23 1HB HIS 23 5.286 -10.569 3.016 143 HB3 HIS 23 2HB HIS 23 6.945 -10.209 3.452 144 HD1 HIS 23 1HD HIS 23 3.835 -11.030 4.985 145 HD2 HIS 23 2HD HIS 23 6.930 -8.356 5.916 146 HE1 HIS 23 1HE HIS 23 3.597 -10.497 7.469 147 H LEU 24 H LEU 24 3.612 -7.930 1.547 148 HA LEU 24 HA LEU 24 2.924 -5.633 2.962 149 HB2 LEU 24 1HB LEU 24 1.760 -7.388 0.945 150 HB3 LEU 24 2HB LEU 24 0.552 -6.712 2.020 151 HG LEU 24 HG LEU 24 1.087 -5.446 -0.137 152 HD11 LEU 24 1HD1 LEU 24 0.455 -4.527 2.514 153 HD12 LEU 24 2HD1 LEU 24 1.377 -3.278 1.644 154 HD13 LEU 24 3HD1 LEU 24 -0.121 -3.930 0.939 155 HD21 LEU 24 1HD2 LEU 24 3.345 -4.146 1.321 156 HD22 LEU 24 2HD2 LEU 24 3.654 -5.684 0.480 157 HD23 LEU 24 3HD2 LEU 24 3.030 -4.284 -0.426 158 H SER 25 H SER 25 1.723 -5.238 4.806 159 HA SER 25 HA SER 25 0.637 -7.585 6.125 160 HB2 SER 25 1HB SER 25 3.001 -6.813 6.979 161 HB3 SER 25 2HB SER 25 2.134 -5.479 7.712 162 HG SER 25 HG SER 25 2.490 -7.620 8.963 163 H PHE 26 H PHE 26 -1.093 -7.052 7.696 164 HA PHE 26 HA PHE 26 -2.016 -4.290 7.572 165 HB2 PHE 26 1HB PHE 26 -3.618 -6.843 6.941 166 HB3 PHE 26 2HB PHE 26 -4.332 -5.248 7.066 167 HD1 PHE 26 1HD PHE 26 -2.476 -3.556 5.589 168 HD2 PHE 26 2HD PHE 26 -3.800 -7.495 4.730 169 HE1 PHE 26 1HE PHE 26 -2.041 -3.170 3.148 170 HE2 PHE 26 2HE PHE 26 -3.365 -7.109 2.289 171 HZ PHE 26 HZ PHE 26 -2.491 -4.951 1.526 172 H SER 27 H SER 27 -2.667 -3.583 9.558 173 HA SER 27 HA SER 27 -3.640 -5.592 11.406 174 HB2 SER 27 1HB SER 27 -1.261 -3.773 11.803 175 HB3 SER 27 2HB SER 27 -2.250 -4.183 13.191 176 HG SER 27 HG SER 27 -0.745 -5.949 11.481 177 H GLU 28 H GLU 28 -4.612 -4.412 13.447 178 HA GLU 28 HA GLU 28 -6.254 -3.149 14.132 179 HB2 GLU 28 1HB GLU 28 -4.425 -1.006 12.973 180 HB3 GLU 28 2HB GLU 28 -5.812 -0.633 13.977 181 HG2 GLU 28 1HG GLU 28 -4.337 -2.701 15.322 182 HG3 GLU 28 2HG GLU 28 -3.171 -1.504 14.794 183 H ILE 29 H ILE 29 -7.097 -4.380 11.870 184 HA ILE 29 HA ILE 29 -8.035 -2.409 9.982 185 HB ILE 29 HB ILE 29 -8.643 -5.360 10.101 186 HG12 ILE 29 1HG1 ILE 29 -6.178 -3.912 9.221 187 HG13 ILE 29 2HG1 ILE 29 -6.343 -5.455 10.036 188 HG21 ILE 29 1HG2 ILE 29 -8.415 -3.927 7.527 189 HG22 ILE 29 2HG2 ILE 29 -9.581 -5.160 8.065 190 HG23 ILE 29 3HG2 ILE 29 -9.796 -3.460 8.549 191 HD11 ILE 29 1HD1 ILE 29 -7.601 -6.097 7.725 192 HD12 ILE 29 2HD1 ILE 29 -6.527 -4.816 7.113 193 HD13 ILE 29 3HD1 ILE 29 -5.838 -6.243 7.923 194 H LEU 30 H LEU 30 -10.098 -1.581 9.835 195 HA LEU 30 HA LEU 30 -11.929 -2.458 11.958 196 HB2 LEU 30 1HB LEU 30 -11.503 0.267 10.732 197 HB3 LEU 30 2HB LEU 30 -12.867 -0.135 11.755 198 HG LEU 30 HG LEU 30 -11.258 0.993 13.098 199 HD11 LEU 30 1HD1 LEU 30 -11.132 -0.437 14.902 200 HD12 LEU 30 2HD1 LEU 30 -12.398 -1.211 13.918 201 HD13 LEU 30 3HD1 LEU 30 -10.738 -1.852 13.897 202 HD21 LEU 30 1HD2 LEU 30 -9.346 0.311 11.451 203 HD22 LEU 30 2HD2 LEU 30 -8.982 0.640 13.162 204 HD23 LEU 30 3HD2 LEU 30 -9.112 -1.040 12.587 205 H ASP 31 H ASP 31 -13.495 -0.261 9.997 206 HA ASP 31 HA ASP 31 -14.607 -2.458 8.442 207 HB2 ASP 31 1HB ASP 31 -16.603 -0.840 8.220 208 HB3 ASP 31 2HB ASP 31 -16.334 -1.544 9.802 209 H THR 32 H THR 32 -13.247 0.846 8.462 210 HA THR 32 HA THR 32 -12.917 0.698 5.571 211 HB THR 32 HB THR 32 -13.946 2.893 5.229 212 HG1 THR 32 1HG THR 32 -13.301 3.795 7.298 213 HG21 THR 32 1HG2 THR 32 -16.268 2.522 5.890 214 HG22 THR 32 2HG2 THR 32 -15.583 0.934 5.471 215 HG23 THR 32 3HG2 THR 32 -15.772 1.399 7.179 216 H SER 33 H SER 33 -11.334 0.559 8.229 217 HA SER 33 HA SER 33 -9.286 2.334 7.245 218 HB2 SER 33 1HB SER 33 -8.832 2.953 9.755 219 HB3 SER 33 2HB SER 33 -10.070 3.823 8.871 220 HG SER 33 HG SER 33 -10.317 2.089 11.052 221 H LEU 34 H LEU 34 -7.275 1.336 7.339 222 HA LEU 34 HA LEU 34 -6.797 -0.694 9.326 223 HB2 LEU 34 1HB LEU 34 -6.315 -2.468 7.783 224 HB3 LEU 34 2HB LEU 34 -7.984 -1.959 7.625 225 HG LEU 34 HG LEU 34 -7.098 -0.503 5.641 226 HD11 LEU 34 1HD1 LEU 34 -5.034 -0.816 4.843 227 HD12 LEU 34 2HD1 LEU 34 -4.673 -1.511 6.441 228 HD13 LEU 34 3HD1 LEU 34 -5.101 -2.579 5.083 229 HD21 LEU 34 1HD2 LEU 34 -7.003 -3.314 4.789 230 HD22 LEU 34 2HD2 LEU 34 -8.392 -2.909 5.826 231 HD23 LEU 34 3HD2 LEU 34 -8.110 -2.001 4.321 232 H LYS 35 H LYS 35 -4.533 -1.152 9.572 233 HA LYS 35 HA LYS 35 -2.906 0.987 8.457 234 HB2 LYS 35 1HB LYS 35 -3.076 0.381 10.962 235 HB3 LYS 35 2HB LYS 35 -2.067 -0.997 10.571 236 HG2 LYS 35 1HG LYS 35 -1.218 1.739 9.601 237 HG3 LYS 35 2HG LYS 35 -0.985 1.340 11.291 238 HD2 LYS 35 1HD LYS 35 -0.097 -0.720 9.292 239 HD3 LYS 35 2HD LYS 35 0.848 0.754 9.370 240 HE2 LYS 35 1HE LYS 35 1.821 0.116 11.323 241 HE3 LYS 35 2HE LYS 35 0.263 -0.173 12.073 242 HZ1 LYS 35 1HZ LYS 35 0.287 -2.341 11.440 243 HZ2 LYS 35 2HZ LYS 35 1.255 -2.108 10.146 244 HZ3 LYS 35 3HZ LYS 35 1.890 -2.108 11.650 245 H VAL 36 H VAL 36 -1.162 0.663 7.089 246 HA VAL 36 HA VAL 36 -0.844 -2.110 6.166 247 HB VAL 36 HB VAL 36 -0.663 0.524 4.697 248 HG11 VAL 36 1HG1 VAL 36 -0.338 -2.028 3.207 249 HG12 VAL 36 2HG1 VAL 36 0.401 -0.432 2.932 250 HG13 VAL 36 3HG1 VAL 36 1.046 -1.505 4.197 251 HG21 VAL 36 1HG2 VAL 36 -2.626 -1.725 4.802 252 HG22 VAL 36 2HG2 VAL 36 -2.894 0.025 4.620 253 HG23 VAL 36 3HG2 VAL 36 -2.345 -0.941 3.229 254 H SER 37 H SER 37 1.168 -3.014 6.298 255 HA SER 37 HA SER 37 3.358 -1.169 6.814 256 HB2 SER 37 1HB SER 37 4.096 -3.381 8.283 257 HB3 SER 37 2HB SER 37 3.377 -1.932 8.956 258 HG SER 37 HG SER 37 1.233 -3.056 8.439 259 H TRP 38 H TRP 38 5.439 -1.900 6.016 260 HA TRP 38 HA TRP 38 5.496 -4.451 4.636 261 HB2 TRP 38 1HB TRP 38 6.253 -3.453 2.532 262 HB3 TRP 38 2HB TRP 38 4.589 -3.057 2.914 263 HD1 TRP 38 HD TRP 38 8.043 -1.383 2.606 264 HE1 TRP 38 1HE TRP 38 7.828 1.244 2.486 265 HE3 TRP 38 3HE TRP 38 3.069 -1.217 3.651 266 HZ2 TRP 38 2HZ TRP 38 5.651 3.056 2.834 267 HZ3 TRP 38 3HZ TRP 38 1.976 1.021 3.742 268 HH2 TRP 38 HH TRP 38 3.184 3.110 3.355 269 H GLN 39 H GLN 39 7.927 -4.356 3.453 270 HA GLN 39 HA GLN 39 9.687 -3.154 5.434 271 HB2 GLN 39 1HB GLN 39 9.270 -5.997 4.915 272 HB3 GLN 39 2HB GLN 39 10.935 -5.558 4.592 273 HG2 GLN 39 1HG GLN 39 9.681 -4.481 7.112 274 HG3 GLN 39 2HG GLN 39 10.073 -6.189 7.072 275 HE21 GLN 39 1HE2 GLN 39 11.292 -2.930 6.944 276 HE22 GLN 39 2HE2 GLN 39 12.968 -3.275 7.212 277 H GLU 40 H GLU 40 12.154 -3.642 4.468 278 HA GLU 40 HA GLU 40 12.105 -2.178 2.030 279 HB2 GLU 40 1HB GLU 40 13.972 -2.680 4.179 280 HB3 GLU 40 2HB GLU 40 14.761 -3.063 2.662 281 HG2 GLU 40 1HG GLU 40 14.238 -0.846 1.753 282 HG3 GLU 40 2HG GLU 40 13.239 -0.460 3.140 283 HA PRO 41 HA PRO 41 12.568 -5.597 -0.612 284 HB2 PRO 41 1HB PRO 41 13.465 -4.354 -2.874 285 HB3 PRO 41 2HB PRO 41 11.775 -4.400 -2.412 286 HG2 PRO 41 1HG PRO 41 13.682 -2.149 -2.238 287 HG3 PRO 41 2HG PRO 41 11.931 -2.110 -2.191 288 HD2 PRO 41 1HD PRO 41 13.715 -1.845 0.040 289 HD3 PRO 41 2HD PRO 41 11.965 -1.923 0.100 290 H GLY 42 H GLY 42 14.032 -7.030 -1.741 291 HA2 GLY 42 1HA GLY 42 16.656 -6.821 -0.506 292 HA3 GLY 42 2HA GLY 42 15.991 -8.179 -1.391 293 H GLU 43 H GLU 43 15.123 -5.820 -3.435 294 HA GLU 43 HA GLU 43 17.705 -5.896 -4.789 295 HB2 GLU 43 1HB GLU 43 15.844 -5.316 -6.762 296 HB3 GLU 43 2HB GLU 43 16.511 -6.903 -6.434 297 HG2 GLU 43 1HG GLU 43 14.628 -7.262 -4.747 298 HG3 GLU 43 2HG GLU 43 13.928 -5.748 -5.287 299 H LYS 44 H LYS 44 17.205 -3.920 -2.817 300 HA LYS 44 HA LYS 44 16.003 -1.616 -3.466 301 HB2 LYS 44 1HB LYS 44 18.707 -2.044 -2.169 302 HB3 LYS 44 2HB LYS 44 17.903 -0.489 -2.223 303 HG2 LYS 44 1HG LYS 44 16.133 -1.194 -0.825 304 HG3 LYS 44 2HG LYS 44 16.360 -2.888 -1.214 305 HD2 LYS 44 1HD LYS 44 18.360 -3.035 0.141 306 HD3 LYS 44 2HD LYS 44 18.469 -1.294 0.299 307 HE2 LYS 44 1HE LYS 44 17.056 -1.276 2.084 308 HE3 LYS 44 2HE LYS 44 15.860 -2.236 1.235 309 HZ1 LYS 44 1HZ LYS 44 17.288 -4.182 1.737 310 HZ2 LYS 44 2HZ LYS 44 18.195 -3.230 2.706 311 HZ3 LYS 44 3HZ LYS 44 16.619 -3.482 3.053 312 H ASN 45 H ASN 45 18.821 -3.060 -5.054 313 HA ASN 45 HA ASN 45 20.053 -2.439 -6.735 314 HB2 ASN 45 1HB ASN 45 17.306 -1.411 -7.446 315 HB3 ASN 45 2HB ASN 45 18.628 -0.905 -8.479 316 HD21 ASN 45 1HD2 ASN 45 16.555 -3.450 -7.504 317 HD22 ASN 45 2HD2 ASN 45 17.118 -4.693 -8.572 318 H GLY 46 H GLY 46 19.812 -0.561 -4.323 319 HA2 GLY 46 1HA GLY 46 21.592 1.340 -4.735 320 HA3 GLY 46 2HA GLY 46 20.204 2.084 -5.503 321 H ILE 47 H ILE 47 19.358 3.605 -4.144 322 HA ILE 47 HA ILE 47 18.817 2.734 -1.399 323 HB ILE 47 HB ILE 47 20.227 5.217 -2.322 324 HG12 ILE 47 1HG1 ILE 47 21.702 3.463 -1.695 325 HG13 ILE 47 2HG1 ILE 47 21.700 4.623 -0.382 326 HG21 ILE 47 1HG2 ILE 47 18.414 4.901 0.043 327 HG22 ILE 47 2HG2 ILE 47 19.882 5.897 0.188 328 HG23 ILE 47 3HG2 ILE 47 18.655 6.295 -1.037 329 HD11 ILE 47 1HD1 ILE 47 21.337 2.778 0.925 330 HD12 ILE 47 2HD1 ILE 47 19.644 2.974 0.410 331 HD13 ILE 47 3HD1 ILE 47 20.704 1.821 -0.435 332 H LEU 48 H LEU 48 16.753 3.138 -0.721 333 HA LEU 48 HA LEU 48 14.957 4.211 -2.688 334 HB2 LEU 48 1HB LEU 48 14.182 3.433 0.099 335 HB3 LEU 48 2HB LEU 48 13.250 3.342 -1.382 336 HG LEU 48 HG LEU 48 13.702 1.127 -1.016 337 HD11 LEU 48 1HD1 LEU 48 14.731 0.543 -2.907 338 HD12 LEU 48 2HD1 LEU 48 15.031 2.282 -3.141 339 HD13 LEU 48 3HD1 LEU 48 16.279 1.256 -2.392 340 HD21 LEU 48 1HD2 LEU 48 15.585 2.049 0.790 341 HD22 LEU 48 2HD2 LEU 48 15.178 0.348 0.461 342 HD23 LEU 48 3HD2 LEU 48 16.550 1.113 -0.377 343 H THR 49 H THR 49 13.974 6.203 -2.705 344 HA THR 49 HA THR 49 14.857 8.044 -0.587 345 HB THR 49 HB THR 49 14.489 9.782 -2.360 346 HG1 THR 49 1HG THR 49 12.808 8.539 -3.481 347 HG21 THR 49 1HG2 THR 49 16.498 7.719 -2.453 348 HG22 THR 49 2HG2 THR 49 15.965 8.021 -4.125 349 HG23 THR 49 3HG2 THR 49 16.594 9.360 -3.135 350 H GLY 50 H GLY 50 12.337 6.060 -1.171 351 HA2 GLY 50 1HA GLY 50 10.586 7.135 0.598 352 HA3 GLY 50 2HA GLY 50 10.154 7.923 -0.906 353 H TYR 51 H TYR 51 8.127 6.502 -0.075 354 HA TYR 51 HA TYR 51 8.196 4.112 -1.756 355 HB2 TYR 51 1HB TYR 51 7.385 4.466 1.186 356 HB3 TYR 51 2HB TYR 51 6.746 3.134 0.244 357 HD1 TYR 51 2HD TYR 51 8.440 1.505 -0.831 358 HD2 TYR 51 1HD TYR 51 9.482 4.288 2.247 359 HE1 TYR 51 2HE TYR 51 10.507 0.132 -0.280 360 HE2 TYR 51 1HE TYR 51 11.546 2.905 2.788 361 HH TYR 51 HH TYR 51 12.933 1.327 1.908 362 H ARG 52 H ARG 52 6.405 3.937 -3.038 363 HA ARG 52 HA ARG 52 4.351 5.910 -2.541 364 HB2 ARG 52 1HB ARG 52 5.585 5.552 -4.830 365 HB3 ARG 52 2HB ARG 52 4.575 4.131 -5.006 366 HG2 ARG 52 1HG ARG 52 2.581 5.773 -4.456 367 HG3 ARG 52 2HG ARG 52 3.722 7.040 -4.857 368 HD2 ARG 52 1HD ARG 52 3.007 4.704 -6.698 369 HD3 ARG 52 2HD ARG 52 2.333 6.317 -6.828 370 HE ARG 52 HE ARG 52 5.254 6.328 -6.833 371 HH11 ARG 52 2HH2 ARG 52 2.395 5.921 -8.844 372 HH12 ARG 52 1HH2 ARG 52 3.207 6.362 -10.310 373 HH21 ARG 52 2HH1 ARG 52 6.325 6.910 -8.766 374 HH22 ARG 52 1HH1 ARG 52 5.457 6.928 -10.265 375 H ILE 53 H ILE 53 2.396 5.282 -1.670 376 HA ILE 53 HA ILE 53 1.734 2.425 -1.860 377 HB ILE 53 HB ILE 53 2.329 3.111 0.395 378 HG12 ILE 53 1HG1 ILE 53 -0.579 2.441 -0.097 379 HG13 ILE 53 2HG1 ILE 53 0.743 1.334 0.217 380 HG21 ILE 53 1HG2 ILE 53 1.720 5.026 1.348 381 HG22 ILE 53 2HG2 ILE 53 1.084 5.515 -0.241 382 HG23 ILE 53 3HG2 ILE 53 0.003 4.764 0.957 383 HD11 ILE 53 1HD1 ILE 53 0.674 3.253 2.369 384 HD12 ILE 53 2HD1 ILE 53 -0.972 2.623 2.121 385 HD13 ILE 53 3HD1 ILE 53 0.372 1.501 2.441 386 H SER 54 H SER 54 -0.381 1.849 -2.449 387 HA SER 54 HA SER 54 -2.209 4.023 -2.940 388 HB2 SER 54 1HB SER 54 -2.319 2.249 -5.226 389 HB3 SER 54 2HB SER 54 -2.073 3.984 -5.195 390 HG SER 54 HG SER 54 -0.209 3.176 -6.108 391 H TRP 55 H TRP 55 -4.063 3.377 -1.912 392 HA TRP 55 HA TRP 55 -4.584 0.497 -1.770 393 HB2 TRP 55 1HB TRP 55 -5.950 0.966 0.133 394 HB3 TRP 55 2HB TRP 55 -4.373 1.697 0.358 395 HD1 TRP 55 HD TRP 55 -7.917 2.879 -0.810 396 HE1 TRP 55 1HE TRP 55 -8.373 5.352 -0.010 397 HE3 TRP 55 3HE TRP 55 -3.338 3.605 1.279 398 HZ2 TRP 55 2HZ TRP 55 -6.802 7.291 1.376 399 HZ3 TRP 55 3HZ TRP 55 -2.880 5.816 2.334 400 HH2 TRP 55 HH TRP 55 -4.524 7.624 2.404 401 H GLU 56 H GLU 56 -6.665 -0.309 -2.413 402 HA GLU 56 HA GLU 56 -8.665 1.434 -3.318 403 HB2 GLU 56 1HB GLU 56 -8.557 1.162 -5.685 404 HB3 GLU 56 2HB GLU 56 -6.931 1.596 -5.197 405 HG2 GLU 56 1HG GLU 56 -6.238 -0.779 -5.253 406 HG3 GLU 56 2HG GLU 56 -7.877 -1.278 -5.620 407 H GLU 57 H GLU 57 -10.534 0.147 -4.325 408 HA GLU 57 HA GLU 57 -11.052 -2.041 -2.755 409 HB2 GLU 57 1HB GLU 57 -12.313 -0.693 -5.080 410 HB3 GLU 57 2HB GLU 57 -12.753 -2.381 -4.911 411 HG2 GLU 57 1HG GLU 57 -12.772 -0.919 -2.335 412 HG3 GLU 57 2HG GLU 57 -13.893 -0.254 -3.506 413 H TYR 58 H TYR 58 -11.872 -4.255 -3.920 414 HA TYR 58 HA TYR 58 -9.601 -5.648 -4.610 415 HB2 TYR 58 1HB TYR 58 -11.638 -6.762 -3.861 416 HB3 TYR 58 2HB TYR 58 -12.620 -5.923 -5.046 417 HD1 TYR 58 1HD TYR 58 -9.601 -8.169 -5.127 418 HD2 TYR 58 2HD TYR 58 -13.471 -7.276 -6.716 419 HE1 TYR 58 1HE TYR 58 -9.427 -10.165 -6.692 420 HE2 TYR 58 2HE TYR 58 -13.284 -9.274 -8.276 421 HH TYR 58 HH TYR 58 -11.897 -11.572 -8.097 422 H ASN 59 H ASN 59 -12.306 -4.700 -6.857 423 HA ASN 59 HA ASN 59 -10.266 -4.564 -8.931 424 HB2 ASN 59 1HB ASN 59 -12.024 -5.438 -10.538 425 HB3 ASN 59 2HB ASN 59 -11.551 -6.614 -9.329 426 HD21 ASN 59 1HD2 ASN 59 -13.816 -7.133 -10.493 427 HD22 ASN 59 2HD2 ASN 59 -15.202 -6.784 -9.515 428 H ARG 60 H ARG 60 -10.656 -2.217 -7.828 429 HA ARG 60 HA ARG 60 -12.303 -0.828 -9.688 430 HB2 ARG 60 1HB ARG 60 -12.847 -0.032 -6.838 431 HB3 ARG 60 2HB ARG 60 -13.900 0.071 -8.235 432 HG2 ARG 60 1HG ARG 60 -14.295 -2.358 -8.187 433 HG3 ARG 60 2HG ARG 60 -13.114 -2.565 -6.908 434 HD2 ARG 60 1HD ARG 60 -14.684 -2.118 -5.330 435 HD3 ARG 60 2HD ARG 60 -15.017 -0.557 -6.054 436 HE ARG 60 HE ARG 60 -16.243 -2.753 -7.539 437 HH11 ARG 60 2HH2 ARG 60 -16.640 -0.595 -4.787 438 HH12 ARG 60 1HH2 ARG 60 -18.367 -0.731 -4.767 439 HH21 ARG 60 2HH1 ARG 60 -18.521 -2.932 -7.512 440 HH22 ARG 60 1HH1 ARG 60 -19.444 -2.069 -6.328 441 H THR 61 H THR 61 -10.447 0.299 -10.392 442 HA THR 61 HA THR 61 -8.541 1.347 -8.560 443 HB THR 61 HB THR 61 -9.106 1.817 -11.534 444 HG1 THR 61 1HG THR 61 -8.482 -0.356 -10.943 445 HG21 THR 61 1HG2 THR 61 -6.453 2.219 -11.287 446 HG22 THR 61 2HG2 THR 61 -7.600 3.569 -11.115 447 HG23 THR 61 3HG2 THR 61 -6.933 2.778 -9.666 448 H ASN 62 H ASN 62 -11.627 2.461 -9.800 449 HA ASN 62 HA ASN 62 -11.360 5.124 -9.781 450 HB2 ASN 62 1HB ASN 62 -13.511 4.185 -10.314 451 HB3 ASN 62 2HB ASN 62 -13.608 3.320 -8.793 452 HD21 ASN 62 1HD2 ASN 62 -13.775 6.444 -10.363 453 HD22 ASN 62 2HD2 ASN 62 -14.632 7.297 -9.123 454 H THR 63 H THR 63 -11.607 2.851 -7.000 455 HA THR 63 HA THR 63 -11.511 5.080 -5.111 456 HB THR 63 HB THR 63 -12.309 3.480 -3.534 457 HG1 THR 63 1HG THR 63 -11.368 1.522 -5.511 458 HG21 THR 63 1HG2 THR 63 -14.092 2.207 -4.598 459 HG22 THR 63 2HG2 THR 63 -13.950 3.735 -5.501 460 HG23 THR 63 3HG2 THR 63 -13.251 2.239 -6.167 461 H ARG 64 H ARG 64 -9.226 4.747 -6.814 462 HA ARG 64 HA ARG 64 -7.338 3.537 -4.980 463 HB2 ARG 64 1HB ARG 64 -7.314 2.904 -7.445 464 HB3 ARG 64 2HB ARG 64 -6.879 4.558 -7.828 465 HG2 ARG 64 1HG ARG 64 -5.071 3.695 -5.777 466 HG3 ARG 64 2HG ARG 64 -5.163 2.389 -6.943 467 HD2 ARG 64 1HD ARG 64 -4.853 4.255 -8.761 468 HD3 ARG 64 2HD ARG 64 -4.346 5.279 -7.432 469 HE ARG 64 HE ARG 64 -2.359 4.030 -7.231 470 HH11 ARG 64 2HH2 ARG 64 -4.618 2.353 -9.344 471 HH12 ARG 64 1HH2 ARG 64 -3.452 1.192 -9.882 472 HH21 ARG 64 2HH1 ARG 64 -0.819 2.498 -7.940 473 HH22 ARG 64 1HH1 ARG 64 -1.276 1.274 -9.078 474 H VAL 65 H VAL 65 -5.613 4.764 -4.057 475 HA VAL 65 HA VAL 65 -5.739 7.649 -4.600 476 HB VAL 65 HB VAL 65 -6.773 6.937 -2.435 477 HG11 VAL 65 1HG1 VAL 65 -4.841 6.516 -0.647 478 HG12 VAL 65 2HG1 VAL 65 -5.622 5.178 -1.525 479 HG13 VAL 65 3HG1 VAL 65 -4.038 5.789 -2.059 480 HG21 VAL 65 1HG2 VAL 65 -4.315 8.573 -1.844 481 HG22 VAL 65 2HG2 VAL 65 -5.552 9.182 -2.970 482 HG23 VAL 65 3HG2 VAL 65 -5.990 8.801 -1.287 483 H THR 66 H THR 66 -3.650 8.793 -4.128 484 HA THR 66 HA THR 66 -1.355 6.975 -4.431 485 HB THR 66 HB THR 66 -1.932 9.580 -5.940 486 HG1 THR 66 1HG THR 66 -2.569 8.113 -7.509 487 HG21 THR 66 1HG2 THR 66 0.077 9.028 -7.237 488 HG22 THR 66 2HG2 THR 66 0.538 9.102 -5.520 489 HG23 THR 66 3HG2 THR 66 0.308 7.525 -6.312 490 H HIS 67 H HIS 67 -0.272 7.074 -2.560 491 HA HIS 67 HA HIS 67 0.076 9.757 -1.433 492 HB2 HIS 67 1HB HIS 67 -0.606 7.153 -0.200 493 HB3 HIS 67 2HB HIS 67 0.608 8.086 0.652 494 HD1 HIS 67 1HD HIS 67 -0.683 10.948 -0.071 495 HD2 HIS 67 2HD HIS 67 -2.667 7.657 1.610 496 HE1 HIS 67 1HE HIS 67 -2.714 11.888 1.153 497 H TYR 68 H TYR 68 2.192 10.103 -0.302 498 HA TYR 68 HA TYR 68 4.293 8.364 -1.394 499 HB2 TYR 68 1HB TYR 68 3.955 11.420 -1.322 500 HB3 TYR 68 2HB TYR 68 5.526 10.689 -1.579 501 HD1 TYR 68 1HD TYR 68 5.527 8.819 -3.534 502 HD2 TYR 68 2HD TYR 68 2.755 12.062 -3.199 503 HE1 TYR 68 1HE TYR 68 5.043 8.673 -6.026 504 HE2 TYR 68 2HE TYR 68 2.281 11.904 -5.692 505 HH TYR 68 HH TYR 68 3.680 11.043 -7.738 506 H LEU 69 H LEU 69 5.758 7.701 0.111 507 HA LEU 69 HA LEU 69 5.867 9.260 2.598 508 HB2 LEU 69 1HB LEU 69 6.203 6.279 2.526 509 HB3 LEU 69 2HB LEU 69 5.887 7.323 3.898 510 HG LEU 69 HG LEU 69 3.844 7.042 1.704 511 HD11 LEU 69 1HD1 LEU 69 3.670 4.856 2.101 512 HD12 LEU 69 2HD1 LEU 69 4.732 4.941 3.527 513 HD13 LEU 69 3HD1 LEU 69 2.998 5.309 3.686 514 HD21 LEU 69 1HD2 LEU 69 3.846 7.926 4.578 515 HD22 LEU 69 2HD2 LEU 69 3.225 8.760 3.134 516 HD23 LEU 69 3HD2 LEU 69 2.349 7.361 3.798 517 HA PRO 70 HA PRO 70 10.146 9.208 2.045 518 HB2 PRO 70 1HB PRO 70 11.117 9.193 4.600 519 HB3 PRO 70 2HB PRO 70 10.495 10.633 3.820 520 HG2 PRO 70 1HG PRO 70 9.230 8.960 5.902 521 HG3 PRO 70 2HG PRO 70 8.838 10.599 5.424 522 HD2 PRO 70 1HD PRO 70 7.392 8.219 4.738 523 HD3 PRO 70 2HD PRO 70 7.068 9.843 4.165 524 H ASN 71 H ASN 71 12.345 8.147 2.713 525 HA ASN 71 HA ASN 71 11.817 5.375 2.272 526 HB2 ASN 71 1HB ASN 71 14.210 5.199 1.858 527 HB3 ASN 71 2HB ASN 71 13.676 6.694 1.117 528 HD21 ASN 71 1HD2 ASN 71 16.245 5.636 2.377 529 HD22 ASN 71 2HD2 ASN 71 16.782 6.900 3.433 530 H VAL 72 H VAL 72 11.282 6.901 4.941 531 HA VAL 72 HA VAL 72 12.979 5.225 6.659 532 HB VAL 72 HB VAL 72 12.765 6.889 8.355 533 HG11 VAL 72 1HG1 VAL 72 13.753 8.911 7.156 534 HG12 VAL 72 2HG1 VAL 72 14.579 7.355 6.901 535 HG13 VAL 72 3HG1 VAL 72 13.505 8.009 5.641 536 HG21 VAL 72 1HG2 VAL 72 11.458 9.033 6.921 537 HG22 VAL 72 2HG2 VAL 72 10.393 7.609 7.013 538 HG23 VAL 72 3HG2 VAL 72 11.060 8.320 8.503 539 H THR 73 H THR 73 9.765 6.034 5.533 540 HA THR 73 HA THR 73 8.585 4.472 7.724 541 HB THR 73 HB THR 73 7.524 6.537 5.739 542 HG1 THR 73 1HG THR 73 8.638 6.997 7.888 543 HG21 THR 73 1HG2 THR 73 5.952 4.912 7.808 544 HG22 THR 73 2HG2 THR 73 5.313 6.234 6.801 545 HG23 THR 73 3HG2 THR 73 5.809 4.699 6.047 546 H LEU 74 H LEU 74 7.359 2.631 7.364 547 HA LEU 74 HA LEU 74 7.238 1.716 4.591 548 HB2 LEU 74 1HB LEU 74 8.074 -0.174 6.762 549 HB3 LEU 74 2HB LEU 74 8.215 -0.347 5.023 550 HG LEU 74 HG LEU 74 9.752 1.882 6.259 551 HD11 LEU 74 1HD1 LEU 74 11.613 0.266 6.827 552 HD12 LEU 74 2HD1 LEU 74 10.220 0.277 7.935 553 HD13 LEU 74 3HD1 LEU 74 10.397 -1.031 6.742 554 HD21 LEU 74 1HD2 LEU 74 10.863 1.805 4.333 555 HD22 LEU 74 2HD2 LEU 74 11.160 0.057 4.487 556 HD23 LEU 74 3HD2 LEU 74 9.639 0.641 3.771 557 H GLU 75 H GLU 75 5.516 2.779 7.057 558 HA GLU 75 HA GLU 75 3.412 0.872 6.517 559 HB2 GLU 75 1HB GLU 75 2.825 0.577 8.845 560 HB3 GLU 75 2HB GLU 75 4.525 0.186 8.674 561 HG2 GLU 75 1HG GLU 75 4.175 3.045 9.212 562 HG3 GLU 75 2HG GLU 75 3.378 2.085 10.443 563 H TYR 76 H TYR 76 1.251 1.775 6.797 564 HA TYR 76 HA TYR 76 1.024 4.523 7.615 565 HB2 TYR 76 1HB TYR 76 1.847 4.600 5.215 566 HB3 TYR 76 2HB TYR 76 0.561 3.510 4.740 567 HD1 TYR 76 1HD TYR 76 -1.796 4.294 4.683 568 HD2 TYR 76 2HD TYR 76 1.434 6.959 5.559 569 HE1 TYR 76 1HE TYR 76 -3.305 6.287 4.219 570 HE2 TYR 76 2HE TYR 76 -0.086 8.943 5.092 571 HH TYR 76 HH TYR 76 -3.362 8.716 4.986 572 H ARG 77 H ARG 77 -1.222 5.209 7.805 573 HA ARG 77 HA ARG 77 -2.921 2.893 8.089 574 HB2 ARG 77 1HB ARG 77 -2.864 4.245 10.076 575 HB3 ARG 77 2HB ARG 77 -3.010 5.737 9.170 576 HG2 ARG 77 1HG ARG 77 -5.313 5.489 8.844 577 HG3 ARG 77 2HG ARG 77 -5.246 3.739 8.896 578 HD2 ARG 77 1HD ARG 77 -6.106 4.007 11.009 579 HD3 ARG 77 2HD ARG 77 -4.438 4.306 11.455 580 HE ARG 77 HE ARG 77 -5.903 6.689 10.527 581 HH11 ARG 77 2HH2 ARG 77 -4.944 4.735 13.292 582 HH12 ARG 77 1HH2 ARG 77 -5.168 6.016 14.437 583 HH21 ARG 77 2HH1 ARG 77 -6.199 8.379 12.037 584 HH22 ARG 77 1HH1 ARG 77 -5.887 8.102 13.718 585 H VAL 78 H VAL 78 -4.620 2.502 6.681 586 HA VAL 78 HA VAL 78 -5.128 4.548 4.664 587 HB VAL 78 HB VAL 78 -5.885 1.623 4.815 588 HG11 VAL 78 1HG1 VAL 78 -6.153 2.139 2.231 589 HG12 VAL 78 2HG1 VAL 78 -7.483 2.439 3.374 590 HG13 VAL 78 3HG1 VAL 78 -6.461 3.789 2.825 591 HG21 VAL 78 1HG2 VAL 78 -4.149 1.311 3.088 592 HG22 VAL 78 2HG2 VAL 78 -3.705 3.028 3.234 593 HG23 VAL 78 3HG2 VAL 78 -3.470 1.927 4.613 594 H THR 79 H THR 79 -7.267 5.287 4.191 595 HA THR 79 HA THR 79 -9.430 4.430 5.894 596 HB THR 79 HB THR 79 -9.754 6.714 6.868 597 HG1 THR 79 1HG THR 79 -8.627 7.873 5.167 598 HG21 THR 79 1HG2 THR 79 -7.896 6.746 8.436 599 HG22 THR 79 2HG2 THR 79 -8.222 5.032 8.079 600 HG23 THR 79 3HG2 THR 79 -6.850 5.858 7.302 601 H GLY 80 H GLY 80 -11.472 4.981 5.088 602 HA2 GLY 80 1HA GLY 80 -12.850 6.234 3.631 603 HA3 GLY 80 2HA GLY 80 -11.478 6.531 2.583 604 H LEU 81 H LEU 81 -11.895 3.307 3.985 605 HA LEU 81 HA LEU 81 -12.284 2.264 1.314 606 HB2 LEU 81 1HB LEU 81 -12.076 0.586 3.781 607 HB3 LEU 81 2HB LEU 81 -11.565 0.232 2.143 608 HG LEU 81 HG LEU 81 -10.219 2.303 3.893 609 HD11 LEU 81 1HD1 LEU 81 -8.909 0.765 4.870 610 HD12 LEU 81 2HD1 LEU 81 -10.231 -0.358 4.471 611 HD13 LEU 81 3HD1 LEU 81 -8.811 -0.240 3.404 612 HD21 LEU 81 1HD2 LEU 81 -9.170 2.872 2.022 613 HD22 LEU 81 2HD2 LEU 81 -8.447 1.246 1.982 614 HD23 LEU 81 3HD2 LEU 81 -9.969 1.565 1.116 615 H THR 82 H THR 82 -13.632 -0.161 2.774 616 HA THR 82 HA THR 82 -16.251 0.973 3.322 617 HB THR 82 HB THR 82 -15.922 -1.146 1.153 618 HG1 THR 82 1HG THR 82 -16.121 1.783 1.044 619 HG21 THR 82 1HG2 THR 82 -18.053 0.995 1.273 620 HG22 THR 82 2HG2 THR 82 -18.156 -0.658 0.618 621 HG23 THR 82 3HG2 THR 82 -18.200 -0.393 2.378 622 H ALA 83 H ALA 83 -17.691 -0.496 4.392 623 HA ALA 83 HA ALA 83 -16.294 -2.228 6.137 624 HB1 ALA 83 1HB ALA 83 -18.162 -1.224 7.094 625 HB2 ALA 83 2HB ALA 83 -19.157 -1.436 5.633 626 HB3 ALA 83 3HB ALA 83 -18.809 -2.831 6.683 627 H LEU 84 H LEU 84 -16.116 -4.470 6.163 628 HA LEU 84 HA LEU 84 -15.769 -6.415 5.117 629 HB2 LEU 84 1HB LEU 84 -18.744 -6.106 4.694 630 HB3 LEU 84 2HB LEU 84 -17.855 -7.614 4.625 631 HG LEU 84 HG LEU 84 -18.391 -5.874 7.034 632 HD11 LEU 84 1HD1 LEU 84 -19.918 -7.824 6.002 633 HD12 LEU 84 2HD1 LEU 84 -18.847 -8.809 7.026 634 HD13 LEU 84 3HD1 LEU 84 -19.804 -7.492 7.747 635 HD21 LEU 84 1HD2 LEU 84 -16.466 -8.209 6.861 636 HD22 LEU 84 2HD2 LEU 84 -16.046 -6.504 7.153 637 HD23 LEU 84 3HD2 LEU 84 -16.996 -7.406 8.358 638 H THR 85 H THR 85 -14.623 -4.783 3.457 639 HA THR 85 HA THR 85 -15.634 -5.605 0.825 640 HB THR 85 HB THR 85 -14.921 -2.820 1.834 641 HG1 THR 85 1HG THR 85 -17.156 -3.793 1.690 642 HG21 THR 85 1HG2 THR 85 -14.962 -2.058 -0.521 643 HG22 THR 85 2HG2 THR 85 -13.634 -3.223 -0.306 644 HG23 THR 85 3HG2 THR 85 -15.152 -3.737 -1.081 645 H THR 86 H THR 86 -14.095 -6.210 -0.667 646 HA THR 86 HA THR 86 -11.498 -6.765 0.477 647 HB THR 86 HB THR 86 -12.713 -7.376 -2.270 648 HG1 THR 86 1HG THR 86 -12.396 -8.925 0.203 649 HG21 THR 86 1HG2 THR 86 -10.332 -8.489 -0.703 650 HG22 THR 86 2HG2 THR 86 -11.100 -9.368 -2.047 651 HG23 THR 86 3HG2 THR 86 -10.314 -7.799 -2.344 652 H TYR 87 H TYR 87 -9.771 -5.487 0.364 653 HA TYR 87 HA TYR 87 -9.679 -3.593 -1.886 654 HB2 TYR 87 1HB TYR 87 -9.271 -3.385 1.126 655 HB3 TYR 87 2HB TYR 87 -8.274 -2.361 0.111 656 HD1 TYR 87 1HD TYR 87 -11.719 -3.063 1.225 657 HD2 TYR 87 2HD TYR 87 -9.223 -0.478 -1.097 658 HE1 TYR 87 1HE TYR 87 -13.603 -1.362 1.080 659 HE2 TYR 87 2HE TYR 87 -11.115 1.214 -1.235 660 HH TYR 87 HH TYR 87 -14.262 0.459 -0.517 661 H THR 88 H THR 88 -7.523 -3.009 -2.623 662 HA THR 88 HA THR 88 -5.481 -4.963 -1.788 663 HB THR 88 HB THR 88 -6.654 -4.288 -4.443 664 HG1 THR 88 1HG THR 88 -4.944 -6.343 -3.227 665 HG21 THR 88 1HG2 THR 88 -3.655 -4.828 -4.173 666 HG22 THR 88 2HG2 THR 88 -4.574 -4.591 -5.679 667 HG23 THR 88 3HG2 THR 88 -4.320 -3.224 -4.567 668 H ILE 89 H ILE 89 -3.774 -4.072 -0.831 669 HA ILE 89 HA ILE 89 -3.315 -1.228 -1.343 670 HB ILE 89 HB ILE 89 -2.182 -2.922 0.877 671 HG12 ILE 89 1HG1 ILE 89 -4.456 -3.147 1.297 672 HG13 ILE 89 2HG1 ILE 89 -4.015 -1.745 2.251 673 HG21 ILE 89 1HG2 ILE 89 -1.531 -0.372 0.003 674 HG22 ILE 89 2HG2 ILE 89 -2.631 -0.085 1.372 675 HG23 ILE 89 3HG2 ILE 89 -1.169 -1.075 1.597 676 HD11 ILE 89 1HD1 ILE 89 -5.714 -1.918 -0.200 677 HD12 ILE 89 2HD1 ILE 89 -5.834 -0.817 1.194 678 HD13 ILE 89 3HD1 ILE 89 -4.645 -0.499 -0.092 679 H GLU 90 H GLU 90 -1.744 -0.684 -2.749 680 HA GLU 90 HA GLU 90 0.279 -2.710 -3.257 681 HB2 GLU 90 1HB GLU 90 -0.277 -0.260 -4.968 682 HB3 GLU 90 2HB GLU 90 0.579 -1.719 -5.427 683 HG2 GLU 90 1HG GLU 90 -1.370 -2.601 -6.172 684 HG3 GLU 90 2HG GLU 90 -1.985 -2.587 -4.532 685 H VAL 91 H VAL 91 2.295 -2.403 -2.420 686 HA VAL 91 HA VAL 91 3.015 0.359 -1.716 687 HB VAL 91 HB VAL 91 3.756 -2.276 -0.433 688 HG11 VAL 91 1HG1 VAL 91 5.425 -0.114 -0.602 689 HG12 VAL 91 2HG1 VAL 91 4.553 0.228 0.912 690 HG13 VAL 91 3HG1 VAL 91 5.435 -1.307 0.719 691 HG21 VAL 91 1HG2 VAL 91 2.550 -1.462 1.501 692 HG22 VAL 91 2HG2 VAL 91 2.236 0.096 0.700 693 HG23 VAL 91 3HG2 VAL 91 1.482 -1.392 0.078 694 H ALA 92 H ALA 92 4.546 1.225 -3.007 695 HA ALA 92 HA ALA 92 6.453 -0.652 -4.231 696 HB1 ALA 92 1HB ALA 92 6.347 1.675 -5.805 697 HB2 ALA 92 2HB ALA 92 5.646 0.087 -6.198 698 HB3 ALA 92 3HB ALA 92 4.651 1.324 -5.394 699 H ALA 93 H ALA 93 8.623 0.315 -4.669 700 HA ALA 93 HA ALA 93 9.296 2.144 -2.489 701 HB1 ALA 93 1HB ALA 93 10.932 0.218 -4.184 702 HB2 ALA 93 2HB ALA 93 11.629 1.317 -2.971 703 HB3 ALA 93 3HB ALA 93 10.494 0.042 -2.468 704 H MET 94 H MET 94 11.189 3.701 -3.052 705 HA MET 94 HA MET 94 10.959 4.599 -5.800 706 HB2 MET 94 1HB MET 94 10.456 6.235 -3.262 707 HB3 MET 94 2HB MET 94 10.864 7.010 -4.780 708 HG2 MET 94 1HG MET 94 8.886 5.676 -5.815 709 HG3 MET 94 2HG MET 94 8.415 5.301 -4.169 710 HE1 MET 94 1HE MET 94 8.885 7.467 -2.382 711 HE2 MET 94 2HE MET 94 7.640 8.721 -2.595 712 HE3 MET 94 3HE MET 94 7.177 7.003 -2.568 713 H THR 95 H THR 95 12.902 5.327 -6.661 714 HA THR 95 HA THR 95 15.113 5.644 -4.738 715 HB THR 95 HB THR 95 16.412 4.754 -6.905 716 HG1 THR 95 1HG THR 95 14.926 4.051 -8.385 717 HG21 THR 95 1HG2 THR 95 15.576 2.309 -6.217 718 HG22 THR 95 2HG2 THR 95 16.573 3.257 -5.086 719 HG23 THR 95 3HG2 THR 95 14.808 3.182 -4.869 720 H SER 96 H SER 96 17.056 6.520 -6.557 721 HA SER 96 HA SER 96 16.132 9.203 -6.838 722 HB2 SER 96 1HB SER 96 18.377 8.796 -5.960 723 HB3 SER 96 2HB SER 96 18.819 7.870 -7.380 724 HG SER 96 HG SER 96 18.387 9.907 -8.633 725 H LYS 97 H LYS 97 15.520 6.590 -8.662 726 HA LYS 97 HA LYS 97 15.948 8.016 -11.196 727 HB2 LYS 97 1HB LYS 97 16.868 6.168 -12.015 728 HB3 LYS 97 2HB LYS 97 16.764 5.424 -10.432 729 HG2 LYS 97 1HG LYS 97 15.552 3.921 -11.794 730 HG3 LYS 97 2HG LYS 97 14.284 4.879 -11.055 731 HD2 LYS 97 1HD LYS 97 14.856 6.398 -13.296 732 HD3 LYS 97 2HD LYS 97 15.174 4.783 -13.897 733 HE2 LYS 97 1HE LYS 97 12.919 4.037 -13.189 734 HE3 LYS 97 2HE LYS 97 12.598 5.603 -12.470 735 HZ1 LYS 97 1HZ LYS 97 11.774 5.176 -14.803 736 HZ2 LYS 97 2HZ LYS 97 12.536 6.596 -14.539 737 HZ3 LYS 97 3HZ LYS 97 13.318 5.377 -15.294 738 H GLY 98 H GLY 98 13.718 6.115 -9.123 739 HA2 GLY 98 1HA GLY 98 11.443 7.493 -9.653 740 HA3 GLY 98 2HA GLY 98 11.526 6.351 -10.979 741 H GLN 99 H GLN 99 9.660 5.181 -10.243 742 HA GLN 99 HA GLN 99 10.005 3.876 -7.672 743 HB2 GLN 99 1HB GLN 99 7.876 5.096 -8.047 744 HB3 GLN 99 2HB GLN 99 7.546 4.116 -9.462 745 HG2 GLN 99 1HG GLN 99 7.885 2.091 -7.736 746 HG3 GLN 99 2HG GLN 99 7.501 3.320 -6.548 747 HE21 GLN 99 1HE2 GLN 99 6.337 1.214 -8.956 748 HE22 GLN 99 2HE2 GLN 99 4.660 1.643 -8.927 749 H GLY 100 H GLY 100 9.898 1.569 -7.469 750 HA2 GLY 100 1HA GLY 100 10.474 0.161 -9.994 751 HA3 GLY 100 2HA GLY 100 10.999 -0.319 -8.392 752 H GLN 101 H GLN 101 10.072 -2.427 -8.525 753 HA GLN 101 HA GLN 101 7.580 -3.024 -9.400 754 HB2 GLN 101 1HB GLN 101 9.670 -4.388 -8.171 755 HB3 GLN 101 2HB GLN 101 8.380 -4.557 -6.997 756 HG2 GLN 101 1HG GLN 101 7.319 -6.086 -8.294 757 HG3 GLN 101 2HG GLN 101 7.284 -4.979 -9.652 758 HE21 GLN 101 1HE2 GLN 101 8.782 -5.095 -11.254 759 HE22 GLN 101 2HE2 GLN 101 9.947 -6.366 -11.417 760 H VAL 102 H VAL 102 5.852 -4.092 -7.670 761 HA VAL 102 HA VAL 102 5.465 -2.281 -5.439 762 HB VAL 102 HB VAL 102 4.380 -1.529 -7.767 763 HG11 VAL 102 1HG1 VAL 102 2.312 -2.387 -8.264 764 HG12 VAL 102 2HG1 VAL 102 3.084 -3.847 -7.601 765 HG13 VAL 102 3HG1 VAL 102 1.987 -2.881 -6.585 766 HG21 VAL 102 1HG2 VAL 102 3.524 0.078 -6.468 767 HG22 VAL 102 2HG2 VAL 102 2.430 -1.065 -5.652 768 HG23 VAL 102 3HG2 VAL 102 4.100 -0.860 -5.070 769 H SER 103 H SER 103 4.238 -3.218 -3.766 770 HA SER 103 HA SER 103 3.670 -6.032 -4.251 771 HB2 SER 103 1HB SER 103 4.600 -4.473 -1.846 772 HB3 SER 103 2HB SER 103 3.650 -5.920 -1.570 773 HG SER 103 HG SER 103 5.386 -7.087 -1.986 774 H ALA 104 H ALA 104 1.509 -6.183 -4.833 775 HA ALA 104 HA ALA 104 -0.394 -4.564 -3.303 776 HB1 ALA 104 1HB ALA 104 -1.358 -6.112 -5.627 777 HB2 ALA 104 2HB ALA 104 -1.590 -4.394 -5.221 778 HB3 ALA 104 3HB ALA 104 -0.091 -4.926 -6.021 779 H SER 105 H SER 105 -1.440 -5.544 -1.651 780 HA SER 105 HA SER 105 -1.801 -8.427 -1.905 781 HB2 SER 105 1HB SER 105 -0.517 -6.871 0.199 782 HB3 SER 105 2HB SER 105 -1.889 -7.744 0.854 783 HG SER 105 HG SER 105 -0.792 -9.584 -0.601 784 H THR 106 H THR 106 -3.902 -9.183 -1.592 785 HA THR 106 HA THR 106 -5.968 -7.197 -1.400 786 HB THR 106 HB THR 106 -6.419 -10.192 -1.326 787 HG1 THR 106 1HG THR 106 -5.639 -8.557 -3.630 788 HG21 THR 106 1HG2 THR 106 -8.477 -9.142 -1.737 789 HG22 THR 106 2HG2 THR 106 -7.714 -7.731 -2.508 790 HG23 THR 106 3HG2 THR 106 -7.865 -9.262 -3.404 791 H ILE 107 H ILE 107 -7.353 -6.740 0.262 792 HA ILE 107 HA ILE 107 -7.231 -8.383 2.637 793 HB ILE 107 HB ILE 107 -5.395 -7.006 3.133 794 HG12 ILE 107 1HG1 ILE 107 -6.332 -5.500 4.981 795 HG13 ILE 107 2HG1 ILE 107 -7.923 -6.032 4.475 796 HG21 ILE 107 1HG2 ILE 107 -5.221 -5.230 1.743 797 HG22 ILE 107 2HG2 ILE 107 -6.969 -4.897 1.759 798 HG23 ILE 107 3HG2 ILE 107 -5.953 -4.380 3.125 799 HD11 ILE 107 1HD1 ILE 107 -7.636 -8.157 5.309 800 HD12 ILE 107 2HD1 ILE 107 -5.914 -8.210 4.861 801 HD13 ILE 107 3HD1 ILE 107 -6.425 -7.349 6.333 802 H SER 108 H SER 108 -9.206 -8.458 3.636 803 HA SER 108 HA SER 108 -11.202 -6.700 2.470 804 HB2 SER 108 1HB SER 108 -11.952 -8.897 2.165 805 HB3 SER 108 2HB SER 108 -11.256 -9.462 3.671 806 HG SER 108 HG SER 108 -13.749 -8.201 3.185 807 H SER 109 H SER 109 -11.980 -5.022 3.697 808 HA SER 109 HA SER 109 -11.035 -4.233 6.026 809 HB2 SER 109 1HB SER 109 -13.277 -3.081 6.402 810 HB3 SER 109 2HB SER 109 -12.555 -2.819 4.828 811 HG SER 109 HG SER 109 -14.864 -3.351 4.751 812 H GLY 110 H GLY 110 -11.575 -4.430 8.297 813 HA2 GLY 110 1HA GLY 110 -12.123 -7.012 9.190 814 HA3 GLY 110 2HA GLY 110 -12.144 -5.551 10.158 815 H VAL 111 H VAL 111 -14.131 -4.420 10.546 816 HA VAL 111 HA VAL 111 -16.528 -5.019 9.267 817 HB VAL 111 HB VAL 111 -16.303 -7.224 10.224 818 HG11 VAL 111 1HG1 VAL 111 -14.797 -6.680 12.088 819 HG12 VAL 111 2HG1 VAL 111 -16.128 -5.848 12.927 820 HG13 VAL 111 3HG1 VAL 111 -16.213 -7.604 12.646 821 HG21 VAL 111 1HG2 VAL 111 -18.389 -7.223 11.699 822 HG22 VAL 111 2HG2 VAL 111 -18.405 -5.455 11.493 823 HG23 VAL 111 3HG2 VAL 111 -18.557 -6.517 10.073 824 HA PRO 112 HA PRO 112 -17.305 -1.434 11.565 825 HB2 PRO 112 1HB PRO 112 -19.937 -1.039 10.946 826 HB3 PRO 112 2HB PRO 112 -18.622 -0.568 9.888 827 HG2 PRO 112 1HG PRO 112 -20.471 -2.861 9.638 828 HG3 PRO 112 2HG PRO 112 -19.454 -2.132 8.411 829 HD2 PRO 112 1HD PRO 112 -18.966 -4.590 9.807 830 HD3 PRO 112 2HD PRO 112 -17.895 -3.802 8.665 831 HA PRO 113 HA PRO 113 -18.791 -2.937 15.285 832 HB2 PRO 113 1HB PRO 113 -18.037 -0.852 16.884 833 HB3 PRO 113 2HB PRO 113 -16.964 -2.170 16.459 834 HG2 PRO 113 1HG PRO 113 -16.992 0.601 15.431 835 HG3 PRO 113 2HG PRO 113 -15.705 -0.585 15.353 836 HD2 PRO 113 1HD PRO 113 -17.458 0.188 13.219 837 HD3 PRO 113 2HD PRO 113 -16.249 -1.079 13.175 838 H SER 114 H SER 114 -19.679 0.030 13.816 839 HA SER 114 HA SER 114 -21.389 1.375 14.147 840 HB2 SER 114 1HB SER 114 -22.200 -0.983 13.078 841 HB3 SER 114 2HB SER 114 -23.228 -0.971 14.496 842 HG SER 114 HG SER 114 -23.227 0.760 12.239 843 H GLY 115 H GLY 115 -20.685 2.138 16.310 844 HA2 GLY 115 1HA GLY 115 -20.996 2.578 18.492 845 HA3 GLY 115 2HA GLY 115 -22.682 2.194 18.209 846 HA PRO 116 HA PRO 116 -20.379 -1.576 20.004 847 HB2 PRO 116 1HB PRO 116 -18.263 -1.003 21.635 848 HB3 PRO 116 2HB PRO 116 -18.079 -1.491 19.962 849 HG2 PRO 116 1HG PRO 116 -17.779 1.198 21.151 850 HG3 PRO 116 2HG PRO 116 -17.199 0.611 19.605 851 HD2 PRO 116 1HD PRO 116 -19.476 2.296 20.055 852 HD3 PRO 116 2HD PRO 116 -18.963 1.613 18.525 853 H SER 117 H SER 117 -20.107 -2.497 22.348 854 HA SER 117 HA SER 117 -21.727 -0.743 24.019 855 HB2 SER 117 1HB SER 117 -23.142 -2.535 24.681 856 HB3 SER 117 2HB SER 117 -23.001 -2.703 22.942 857 HG SER 117 HG SER 117 -21.110 -4.219 23.526 858 H SER 118 H SER 118 -21.519 -1.275 26.410 859 HA SER 118 HA SER 118 -18.809 -2.216 26.891 860 HB2 SER 118 1HB SER 118 -19.636 0.168 27.563 861 HB3 SER 118 2HB SER 118 -20.512 -0.638 28.849 862 HG SER 118 HG SER 118 -18.599 -1.317 29.796 863 H GLY 119 H GLY 119 -18.483 -3.405 29.045 864 HA2 GLY 119 1HA GLY 119 -20.525 -5.455 29.281 865 HA3 GLY 119 2HA GLY 119 -18.927 -5.442 30.001 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -1.533 -9.976 -7.580 2 HA2 GLY 1 1HA GLY 1 0.554 -11.208 -8.351 3 HA3 GLY 1 2HA GLY 1 0.216 -12.285 -7.011 4 H SER 2 H SER 2 -0.863 -11.145 -10.203 5 HA SER 2 HA SER 2 -2.008 -13.623 -10.765 6 HB2 SER 2 1HB SER 2 -3.807 -12.592 -9.268 7 HB3 SER 2 2HB SER 2 -4.041 -11.368 -10.501 8 HG SER 2 HG SER 2 -5.530 -12.902 -11.050 9 H SER 3 H SER 3 -0.880 -13.569 -12.721 10 HA SER 3 HA SER 3 -1.597 -11.349 -14.472 11 HB2 SER 3 1HB SER 3 0.624 -11.567 -15.530 12 HB3 SER 3 2HB SER 3 0.779 -11.224 -13.818 13 HG SER 3 HG SER 3 1.045 -13.591 -13.500 14 H GLY 4 H GLY 4 -1.518 -11.959 -16.868 15 HA2 GLY 4 1HA GLY 4 -1.465 -13.701 -18.497 16 HA3 GLY 4 2HA GLY 4 -2.028 -14.836 -17.286 17 H SER 5 H SER 5 -2.964 -11.953 -19.229 18 HA SER 5 HA SER 5 -5.687 -12.954 -19.098 19 HB2 SER 5 1HB SER 5 -4.908 -10.014 -18.861 20 HB3 SER 5 2HB SER 5 -6.547 -10.629 -18.927 21 HG SER 5 HG SER 5 -5.190 -11.954 -16.954 22 H SER 6 H SER 6 -3.568 -10.407 -20.618 23 HA SER 6 HA SER 6 -3.647 -11.483 -23.126 24 HB2 SER 6 1HB SER 6 -6.161 -10.359 -22.509 25 HB3 SER 6 2HB SER 6 -5.379 -9.145 -23.502 26 HG SER 6 HG SER 6 -6.655 -10.977 -24.582 27 H GLY 7 H GLY 7 -2.008 -10.459 -24.268 28 HA2 GLY 7 1HA GLY 7 -1.484 -7.853 -24.640 29 HA3 GLY 7 2HA GLY 7 -0.801 -8.123 -23.049 30 HA PRO 8 HA PRO 8 2.097 -9.598 -26.356 31 HB2 PRO 8 1HB PRO 8 3.836 -7.497 -26.526 32 HB3 PRO 8 2HB PRO 8 2.517 -7.742 -27.653 33 HG2 PRO 8 1HG PRO 8 2.732 -5.783 -25.450 34 HG3 PRO 8 2HG PRO 8 1.647 -5.772 -26.826 35 HD2 PRO 8 1HD PRO 8 0.990 -6.494 -24.129 36 HD3 PRO 8 2HD PRO 8 -0.062 -6.594 -25.527 37 H GLN 9 H GLN 9 4.701 -9.612 -26.207 38 HA GLN 9 HA GLN 9 5.254 -9.770 -23.358 39 HB2 GLN 9 1HB GLN 9 4.666 -12.054 -24.423 40 HB3 GLN 9 2HB GLN 9 6.175 -11.918 -25.304 41 HG2 GLN 9 1HG GLN 9 7.437 -12.401 -23.459 42 HG3 GLN 9 2HG GLN 9 6.504 -11.334 -22.428 43 HE21 GLN 9 1HE2 GLN 9 6.383 -14.454 -24.110 44 HE22 GLN 9 2HE2 GLN 9 5.428 -15.304 -22.942 45 H LEU 10 H LEU 10 6.950 -8.425 -22.952 46 HA LEU 10 HA LEU 10 9.229 -8.534 -24.739 47 HB2 LEU 10 1HB LEU 10 7.577 -6.062 -24.272 48 HB3 LEU 10 2HB LEU 10 9.275 -5.971 -24.695 49 HG LEU 10 HG LEU 10 8.309 -7.671 -26.631 50 HD11 LEU 10 1HD1 LEU 10 6.229 -5.508 -26.524 51 HD12 LEU 10 2HD1 LEU 10 6.221 -7.055 -27.403 52 HD13 LEU 10 3HD1 LEU 10 5.986 -7.033 -25.639 53 HD21 LEU 10 1HD2 LEU 10 8.244 -4.711 -27.104 54 HD22 LEU 10 2HD2 LEU 10 9.775 -5.501 -26.654 55 HD23 LEU 10 3HD2 LEU 10 8.904 -6.017 -28.118 56 H VAL 11 H VAL 11 11.195 -7.976 -23.697 57 HA VAL 11 HA VAL 11 12.580 -7.736 -21.993 58 HB VAL 11 HB VAL 11 10.657 -5.768 -21.639 59 HG11 VAL 11 1HG1 VAL 11 11.271 -6.870 -18.890 60 HG12 VAL 11 2HG1 VAL 11 10.121 -5.592 -19.349 61 HG13 VAL 11 3HG1 VAL 11 9.779 -7.288 -19.767 62 HG21 VAL 11 1HG2 VAL 11 13.283 -6.186 -20.169 63 HG22 VAL 11 2HG2 VAL 11 13.070 -5.416 -21.759 64 HG23 VAL 11 3HG2 VAL 11 12.404 -4.644 -20.300 65 H ARG 12 H ARG 12 13.162 -8.697 -19.895 66 HA ARG 12 HA ARG 12 11.128 -10.474 -18.864 67 HB2 ARG 12 1HB ARG 12 13.038 -11.443 -20.609 68 HB3 ARG 12 2HB ARG 12 13.860 -11.674 -19.078 69 HG2 ARG 12 1HG ARG 12 11.414 -12.645 -18.386 70 HG3 ARG 12 2HG ARG 12 11.353 -12.972 -20.106 71 HD2 ARG 12 1HD ARG 12 12.943 -14.627 -19.981 72 HD3 ARG 12 2HD ARG 12 13.941 -13.725 -18.859 73 HE ARG 12 HE ARG 12 11.556 -14.552 -17.500 74 HH11 ARG 12 2HH2 ARG 12 14.521 -15.900 -18.831 75 HH12 ARG 12 1HH2 ARG 12 14.556 -17.240 -17.733 76 HH21 ARG 12 2HH1 ARG 12 11.601 -16.319 -16.052 77 HH22 ARG 12 1HH1 ARG 12 12.884 -17.480 -16.142 78 H THR 13 H THR 13 14.590 -9.384 -18.596 79 HA THR 13 HA THR 13 14.115 -8.760 -15.792 80 HB THR 13 HB THR 13 16.002 -10.126 -15.046 81 HG1 THR 13 1HG THR 13 16.138 -10.744 -17.914 82 HG21 THR 13 1HG2 THR 13 13.769 -11.370 -15.600 83 HG22 THR 13 2HG2 THR 13 14.595 -11.910 -17.081 84 HG23 THR 13 3HG2 THR 13 15.242 -12.361 -15.485 85 H HIS 14 H HIS 14 14.500 -6.627 -15.795 86 HA HIS 14 HA HIS 14 17.023 -5.630 -16.003 87 HB2 HIS 14 1HB HIS 14 16.091 -6.218 -18.585 88 HB3 HIS 14 2HB HIS 14 15.904 -4.483 -18.428 89 HD1 HIS 14 1HD HIS 14 18.220 -6.616 -19.823 90 HD2 HIS 14 2HD HIS 14 18.615 -3.584 -16.952 91 HE1 HIS 14 1HE HIS 14 20.672 -5.909 -19.862 92 H GLU 15 H GLU 15 16.878 -3.853 -14.732 93 HA GLU 15 HA GLU 15 15.216 -1.746 -15.230 94 HB2 GLU 15 1HB GLU 15 13.934 -3.894 -13.622 95 HB3 GLU 15 2HB GLU 15 13.827 -2.297 -12.907 96 HG2 GLU 15 1HG GLU 15 13.263 -1.886 -15.653 97 HG3 GLU 15 2HG GLU 15 12.430 -3.375 -15.252 98 H ASP 16 H ASP 16 15.881 0.019 -13.973 99 HA ASP 16 HA ASP 16 18.110 -0.509 -12.299 100 HB2 ASP 16 1HB ASP 16 17.713 1.505 -13.900 101 HB3 ASP 16 2HB ASP 16 16.667 2.151 -12.652 102 H VAL 17 H VAL 17 14.893 1.178 -11.924 103 HA VAL 17 HA VAL 17 14.928 1.744 -9.289 104 HB VAL 17 HB VAL 17 12.391 1.158 -9.466 105 HG11 VAL 17 1HG1 VAL 17 12.771 3.411 -9.514 106 HG12 VAL 17 2HG1 VAL 17 13.985 3.295 -10.811 107 HG13 VAL 17 3HG1 VAL 17 12.252 3.190 -11.202 108 HG21 VAL 17 1HG2 VAL 17 12.879 -0.348 -11.498 109 HG22 VAL 17 2HG2 VAL 17 11.494 0.765 -11.603 110 HG23 VAL 17 3HG2 VAL 17 13.023 1.167 -12.421 111 HA PRO 18 HA PRO 18 14.792 -1.951 -7.051 112 HB2 PRO 18 1HB PRO 18 13.120 -1.416 -4.956 113 HB3 PRO 18 2HB PRO 18 14.781 -0.862 -5.022 114 HG2 PRO 18 1HG PRO 18 12.295 0.683 -5.436 115 HG3 PRO 18 2HG PRO 18 13.907 1.271 -5.078 116 HD2 PRO 18 1HD PRO 18 12.592 1.311 -7.627 117 HD3 PRO 18 2HD PRO 18 14.243 1.792 -7.292 118 H GLY 19 H GLY 19 13.288 -3.638 -5.825 119 HA2 GLY 19 1HA GLY 19 11.217 -4.227 -7.837 120 HA3 GLY 19 2HA GLY 19 12.038 -5.389 -6.814 121 HA PRO 20 HA PRO 20 8.167 -4.617 -4.682 122 HB2 PRO 20 1HB PRO 20 7.662 -7.210 -3.984 123 HB3 PRO 20 2HB PRO 20 7.060 -6.480 -5.459 124 HG2 PRO 20 1HG PRO 20 9.276 -8.406 -5.116 125 HG3 PRO 20 2HG PRO 20 8.392 -7.998 -6.573 126 HD2 PRO 20 1HD PRO 20 11.027 -7.116 -5.860 127 HD3 PRO 20 2HD PRO 20 10.097 -6.617 -7.259 128 H VAL 21 H VAL 21 7.996 -3.860 -2.662 129 HA VAL 21 HA VAL 21 10.175 -4.041 -0.978 130 HB VAL 21 HB VAL 21 8.434 -3.337 0.770 131 HG11 VAL 21 1HG1 VAL 21 8.277 -1.082 -0.177 132 HG12 VAL 21 2HG1 VAL 21 9.895 -1.774 -0.447 133 HG13 VAL 21 3HG1 VAL 21 8.719 -1.713 -1.782 134 HG21 VAL 21 1HG2 VAL 21 6.254 -3.404 0.294 135 HG22 VAL 21 2HG2 VAL 21 6.504 -2.513 -1.227 136 HG23 VAL 21 3HG2 VAL 21 6.660 -4.286 -1.198 137 H GLY 22 H GLY 22 9.422 -4.823 1.548 138 HA2 GLY 22 1HA GLY 22 9.855 -7.583 1.506 139 HA3 GLY 22 2HA GLY 22 9.342 -6.628 2.882 140 H HIS 23 H HIS 23 7.869 -8.226 3.663 141 HA HIS 23 HA HIS 23 5.730 -8.989 1.859 142 HB2 HIS 23 1HB HIS 23 5.714 -9.945 4.659 143 HB3 HIS 23 2HB HIS 23 5.425 -10.814 3.165 144 HD1 HIS 23 1HD HIS 23 7.246 -12.377 2.451 145 HD2 HIS 23 2HD HIS 23 8.649 -9.387 5.037 146 HE1 HIS 23 1HE HIS 23 9.693 -12.928 2.921 147 H LEU 24 H LEU 24 3.927 -7.760 1.728 148 HA LEU 24 HA LEU 24 3.465 -5.609 3.445 149 HB2 LEU 24 1HB LEU 24 2.305 -6.793 1.092 150 HB3 LEU 24 2HB LEU 24 1.038 -6.343 2.215 151 HG LEU 24 HG LEU 24 2.401 -4.063 2.317 152 HD11 LEU 24 1HD1 LEU 24 3.819 -5.466 0.316 153 HD12 LEU 24 2HD1 LEU 24 2.889 -4.193 -0.511 154 HD13 LEU 24 3HD1 LEU 24 4.001 -3.766 0.812 155 HD21 LEU 24 1HD2 LEU 24 0.899 -3.152 0.636 156 HD22 LEU 24 2HD2 LEU 24 0.568 -4.786 0.014 157 HD23 LEU 24 3HD2 LEU 24 0.049 -4.337 1.656 158 H SER 25 H SER 25 1.909 -5.277 5.114 159 HA SER 25 HA SER 25 0.607 -7.666 6.080 160 HB2 SER 25 1HB SER 25 2.077 -5.962 8.094 161 HB3 SER 25 2HB SER 25 1.549 -7.627 8.238 162 HG SER 25 HG SER 25 3.430 -8.282 7.463 163 H PHE 26 H PHE 26 -0.891 -6.999 8.055 164 HA PHE 26 HA PHE 26 -1.694 -4.215 7.891 165 HB2 PHE 26 1HB PHE 26 -3.506 -6.657 7.404 166 HB3 PHE 26 2HB PHE 26 -4.079 -5.004 7.493 167 HD1 PHE 26 2HD PHE 26 -3.294 -3.360 5.727 168 HD2 PHE 26 1HD PHE 26 -2.704 -7.547 5.377 169 HE1 PHE 26 2HE PHE 26 -2.940 -3.103 3.255 170 HE2 PHE 26 1HE PHE 26 -2.350 -7.291 2.905 171 HZ PHE 26 HZ PHE 26 -2.472 -5.072 1.874 172 H SER 27 H SER 27 -3.064 -3.550 9.692 173 HA SER 27 HA SER 27 -3.665 -5.494 11.678 174 HB2 SER 27 1HB SER 27 -1.160 -4.039 11.826 175 HB3 SER 27 2HB SER 27 -2.192 -3.529 13.147 176 HG SER 27 HG SER 27 -2.001 -5.456 14.091 177 H GLU 28 H GLU 28 -4.614 -4.242 13.723 178 HA GLU 28 HA GLU 28 -6.376 -3.073 14.316 179 HB2 GLU 28 1HB GLU 28 -4.529 -0.882 13.284 180 HB3 GLU 28 2HB GLU 28 -5.961 -0.551 14.239 181 HG2 GLU 28 1HG GLU 28 -3.839 -2.506 15.206 182 HG3 GLU 28 2HG GLU 28 -3.682 -0.784 15.489 183 H ILE 29 H ILE 29 -7.247 -4.258 12.118 184 HA ILE 29 HA ILE 29 -8.027 -2.315 10.132 185 HB ILE 29 HB ILE 29 -8.793 -5.224 10.355 186 HG12 ILE 29 1HG1 ILE 29 -6.255 -3.931 9.427 187 HG13 ILE 29 2HG1 ILE 29 -6.489 -5.408 10.340 188 HG21 ILE 29 1HG2 ILE 29 -9.795 -3.301 8.694 189 HG22 ILE 29 2HG2 ILE 29 -8.461 -3.962 7.718 190 HG23 ILE 29 3HG2 ILE 29 -9.736 -5.043 8.331 191 HD11 ILE 29 1HD1 ILE 29 -6.509 -4.978 7.399 192 HD12 ILE 29 2HD1 ILE 29 -6.093 -6.435 8.334 193 HD13 ILE 29 3HD1 ILE 29 -7.798 -6.047 8.001 194 H LEU 30 H LEU 30 -10.062 -1.425 9.857 195 HA LEU 30 HA LEU 30 -11.962 -2.059 12.006 196 HB2 LEU 30 1HB LEU 30 -11.409 0.534 10.565 197 HB3 LEU 30 2HB LEU 30 -12.805 0.272 11.592 198 HG LEU 30 HG LEU 30 -11.186 1.441 12.876 199 HD11 LEU 30 1HD1 LEU 30 -10.789 -1.372 13.863 200 HD12 LEU 30 2HD1 LEU 30 -11.068 0.125 14.784 201 HD13 LEU 30 3HD1 LEU 30 -12.402 -0.619 13.871 202 HD21 LEU 30 1HD2 LEU 30 -9.092 -0.683 12.521 203 HD22 LEU 30 2HD2 LEU 30 -9.270 0.618 11.319 204 HD23 LEU 30 3HD2 LEU 30 -8.918 1.017 13.017 205 H ASP 31 H ASP 31 -13.439 0.016 9.870 206 HA ASP 31 HA ASP 31 -14.563 -2.257 8.433 207 HB2 ASP 31 1HB ASP 31 -16.503 -0.484 8.099 208 HB3 ASP 31 2HB ASP 31 -16.379 -1.375 9.603 209 H THR 32 H THR 32 -13.234 1.063 8.315 210 HA THR 32 HA THR 32 -12.902 0.789 5.430 211 HB THR 32 HB THR 32 -13.899 2.993 5.021 212 HG1 THR 32 1HG THR 32 -13.216 3.890 7.108 213 HG21 THR 32 1HG2 THR 32 -16.206 2.607 5.543 214 HG22 THR 32 2HG2 THR 32 -15.517 0.970 5.432 215 HG23 THR 32 3HG2 THR 32 -15.803 1.709 7.026 216 H SER 33 H SER 33 -11.268 0.679 8.027 217 HA SER 33 HA SER 33 -9.205 2.376 6.972 218 HB2 SER 33 1HB SER 33 -8.821 2.993 9.588 219 HB3 SER 33 2HB SER 33 -9.720 4.016 8.485 220 HG SER 33 HG SER 33 -10.611 2.839 10.735 221 H LEU 34 H LEU 34 -7.216 1.345 7.142 222 HA LEU 34 HA LEU 34 -6.814 -0.588 9.249 223 HB2 LEU 34 1HB LEU 34 -6.227 -2.398 7.710 224 HB3 LEU 34 2HB LEU 34 -7.928 -1.979 7.667 225 HG LEU 34 HG LEU 34 -7.265 -0.520 5.600 226 HD11 LEU 34 1HD1 LEU 34 -5.358 -1.145 4.374 227 HD12 LEU 34 2HD1 LEU 34 -4.789 -0.928 6.047 228 HD13 LEU 34 3HD1 LEU 34 -5.054 -2.566 5.402 229 HD21 LEU 34 1HD2 LEU 34 -8.001 -3.321 5.916 230 HD22 LEU 34 2HD2 LEU 34 -8.630 -2.086 4.799 231 HD23 LEU 34 3HD2 LEU 34 -7.167 -3.007 4.375 232 H LYS 35 H LYS 35 -4.548 -1.135 9.516 233 HA LYS 35 HA LYS 35 -2.864 0.966 8.408 234 HB2 LYS 35 1HB LYS 35 -3.106 0.355 10.927 235 HB3 LYS 35 2HB LYS 35 -2.053 -0.993 10.548 236 HG2 LYS 35 1HG LYS 35 -1.264 1.769 9.602 237 HG3 LYS 35 2HG LYS 35 -1.046 1.368 11.294 238 HD2 LYS 35 1HD LYS 35 -0.057 -0.595 9.223 239 HD3 LYS 35 2HD LYS 35 0.870 0.868 9.486 240 HE2 LYS 35 1HE LYS 35 1.764 0.005 11.383 241 HE3 LYS 35 2HE LYS 35 0.167 -0.207 12.074 242 HZ1 LYS 35 1HZ LYS 35 1.215 -2.112 10.119 243 HZ2 LYS 35 2HZ LYS 35 1.576 -2.249 11.706 244 HZ3 LYS 35 3HZ LYS 35 0.021 -2.331 11.212 245 H VAL 36 H VAL 36 -1.123 0.591 7.057 246 HA VAL 36 HA VAL 36 -0.845 -2.200 6.179 247 HB VAL 36 HB VAL 36 -0.555 0.416 4.698 248 HG11 VAL 36 1HG1 VAL 36 -0.163 -2.280 3.410 249 HG12 VAL 36 2HG1 VAL 36 0.343 -0.670 2.844 250 HG13 VAL 36 3HG1 VAL 36 1.198 -1.446 4.198 251 HG21 VAL 36 1HG2 VAL 36 -2.623 -1.693 4.872 252 HG22 VAL 36 2HG2 VAL 36 -2.766 0.027 4.438 253 HG23 VAL 36 3HG2 VAL 36 -2.224 -1.155 3.223 254 H SER 37 H SER 37 1.264 -3.050 5.896 255 HA SER 37 HA SER 37 3.428 -1.295 6.667 256 HB2 SER 37 1HB SER 37 3.716 -2.226 8.700 257 HB3 SER 37 2HB SER 37 2.283 -3.204 8.452 258 HG SER 37 HG SER 37 4.971 -3.933 8.353 259 H TRP 38 H TRP 38 5.624 -2.444 6.262 260 HA TRP 38 HA TRP 38 5.637 -4.774 4.652 261 HB2 TRP 38 1HB TRP 38 6.408 -3.744 2.560 262 HB3 TRP 38 2HB TRP 38 4.732 -3.391 2.931 263 HD1 TRP 38 HD TRP 38 8.156 -1.633 2.704 264 HE1 TRP 38 1HE TRP 38 7.880 0.989 2.594 265 HE3 TRP 38 3HE TRP 38 3.155 -1.596 3.624 266 HZ2 TRP 38 2HZ TRP 38 5.650 2.745 2.898 267 HZ3 TRP 38 3HZ TRP 38 2.005 0.614 3.701 268 HH2 TRP 38 HH TRP 38 3.171 2.735 3.356 269 H GLN 39 H GLN 39 8.062 -4.719 3.511 270 HA GLN 39 HA GLN 39 9.808 -3.544 5.529 271 HB2 GLN 39 1HB GLN 39 9.422 -6.354 4.861 272 HB3 GLN 39 2HB GLN 39 11.079 -5.886 4.535 273 HG2 GLN 39 1HG GLN 39 10.823 -4.680 6.938 274 HG3 GLN 39 2HG GLN 39 9.589 -5.905 7.154 275 HE21 GLN 39 1HE2 GLN 39 10.118 -8.008 7.408 276 HE22 GLN 39 2HE2 GLN 39 11.735 -8.614 7.545 277 H GLU 40 H GLU 40 12.280 -3.899 4.561 278 HA GLU 40 HA GLU 40 12.199 -2.339 2.178 279 HB2 GLU 40 1HB GLU 40 14.094 -2.898 4.325 280 HB3 GLU 40 2HB GLU 40 14.885 -3.050 2.769 281 HG2 GLU 40 1HG GLU 40 14.273 -0.801 2.123 282 HG3 GLU 40 2HG GLU 40 13.128 -0.654 3.441 283 HA PRO 41 HA PRO 41 12.770 -5.728 -0.497 284 HB2 PRO 41 1HB PRO 41 13.245 -4.368 -2.819 285 HB3 PRO 41 2HB PRO 41 11.635 -4.665 -2.195 286 HG2 PRO 41 1HG PRO 41 13.194 -2.154 -2.177 287 HG3 PRO 41 2HG PRO 41 11.470 -2.377 -1.958 288 HD2 PRO 41 1HD PRO 41 13.405 -1.847 0.091 289 HD3 PRO 41 2HD PRO 41 11.701 -2.185 0.321 290 H GLY 42 H GLY 42 14.314 -7.045 -1.515 291 HA2 GLY 42 1HA GLY 42 16.976 -6.408 -0.622 292 HA3 GLY 42 2HA GLY 42 16.439 -7.849 -1.463 293 H GLU 43 H GLU 43 15.096 -5.518 -3.341 294 HA GLU 43 HA GLU 43 17.459 -5.453 -5.035 295 HB2 GLU 43 1HB GLU 43 14.510 -5.596 -5.546 296 HB3 GLU 43 2HB GLU 43 15.457 -4.683 -6.704 297 HG2 GLU 43 1HG GLU 43 16.121 -7.535 -5.834 298 HG3 GLU 43 2HG GLU 43 15.204 -7.142 -7.275 299 H LYS 44 H LYS 44 17.201 -3.639 -2.782 300 HA LYS 44 HA LYS 44 16.080 -1.243 -3.124 301 HB2 LYS 44 1HB LYS 44 18.899 -1.829 -2.173 302 HB3 LYS 44 2HB LYS 44 18.081 -0.296 -1.948 303 HG2 LYS 44 1HG LYS 44 16.157 -1.707 -0.865 304 HG3 LYS 44 2HG LYS 44 17.331 -3.005 -0.788 305 HD2 LYS 44 1HD LYS 44 18.813 -1.715 0.628 306 HD3 LYS 44 2HD LYS 44 17.927 -0.233 0.329 307 HE2 LYS 44 1HE LYS 44 16.552 -0.662 2.081 308 HE3 LYS 44 2HE LYS 44 16.057 -2.179 1.357 309 HZ1 LYS 44 1HZ LYS 44 18.387 -1.745 3.088 310 HZ2 LYS 44 2HZ LYS 44 17.058 -2.631 3.425 311 HZ3 LYS 44 3HZ LYS 44 18.113 -3.142 2.288 312 H ASN 45 H ASN 45 18.869 -2.548 -4.952 313 HA ASN 45 HA ASN 45 20.081 -1.680 -6.563 314 HB2 ASN 45 1HB ASN 45 17.196 -1.337 -7.333 315 HB3 ASN 45 2HB ASN 45 18.354 -0.508 -8.354 316 HD21 ASN 45 1HD2 ASN 45 16.681 -3.284 -7.941 317 HD22 ASN 45 2HD2 ASN 45 17.664 -4.415 -8.809 318 H GLY 46 H GLY 46 20.229 0.100 -4.432 319 HA2 GLY 46 1HA GLY 46 21.310 2.322 -4.957 320 HA3 GLY 46 2HA GLY 46 19.743 2.770 -5.599 321 H ILE 47 H ILE 47 19.856 4.519 -3.918 322 HA ILE 47 HA ILE 47 19.303 3.499 -1.230 323 HB ILE 47 HB ILE 47 20.365 6.090 -2.304 324 HG12 ILE 47 1HG1 ILE 47 22.038 4.452 -1.836 325 HG13 ILE 47 2HG1 ILE 47 22.104 5.661 -0.568 326 HG21 ILE 47 1HG2 ILE 47 18.889 5.641 0.271 327 HG22 ILE 47 2HG2 ILE 47 20.239 6.799 0.203 328 HG23 ILE 47 3HG2 ILE 47 18.825 7.017 -0.856 329 HD11 ILE 47 1HD1 ILE 47 20.418 4.024 0.683 330 HD12 ILE 47 2HD1 ILE 47 21.102 2.817 -0.432 331 HD13 ILE 47 3HD1 ILE 47 22.167 3.693 0.693 332 H LEU 48 H LEU 48 17.173 3.122 -0.903 333 HA LEU 48 HA LEU 48 15.135 4.172 -2.441 334 HB2 LEU 48 1HB LEU 48 14.950 3.259 0.431 335 HB3 LEU 48 2HB LEU 48 13.651 3.323 -0.744 336 HG LEU 48 HG LEU 48 16.091 1.546 -1.004 337 HD11 LEU 48 1HD1 LEU 48 14.872 -0.259 -0.138 338 HD12 LEU 48 2HD1 LEU 48 14.543 1.085 0.981 339 HD13 LEU 48 3HD1 LEU 48 13.326 0.619 -0.232 340 HD21 LEU 48 1HD2 LEU 48 13.464 1.421 -2.503 341 HD22 LEU 48 2HD2 LEU 48 14.939 2.199 -3.124 342 HD23 LEU 48 3HD2 LEU 48 14.929 0.451 -2.786 343 H THR 49 H THR 49 14.195 6.140 -2.587 344 HA THR 49 HA THR 49 14.965 8.121 -0.579 345 HB THR 49 HB THR 49 14.274 9.722 -2.339 346 HG1 THR 49 1HG THR 49 13.749 7.391 -3.987 347 HG21 THR 49 1HG2 THR 49 16.088 7.430 -3.049 348 HG22 THR 49 2HG2 THR 49 15.526 8.448 -4.397 349 HG23 THR 49 3HG2 THR 49 16.427 9.178 -3.047 350 H GLY 50 H GLY 50 12.366 6.014 -1.383 351 HA2 GLY 50 1HA GLY 50 10.801 6.692 0.774 352 HA3 GLY 50 2HA GLY 50 10.215 7.692 -0.541 353 H TYR 51 H TYR 51 8.240 6.213 0.041 354 HA TYR 51 HA TYR 51 8.335 3.950 -1.821 355 HB2 TYR 51 1HB TYR 51 7.211 4.167 1.039 356 HB3 TYR 51 2HB TYR 51 6.813 2.832 -0.024 357 HD1 TYR 51 2HD TYR 51 8.752 1.366 -0.891 358 HD2 TYR 51 1HD TYR 51 9.155 4.104 2.372 359 HE1 TYR 51 2HE TYR 51 10.822 0.124 -0.094 360 HE2 TYR 51 1HE TYR 51 11.224 2.852 3.158 361 HH TYR 51 HH TYR 51 12.097 -0.204 1.818 362 H ARG 52 H ARG 52 6.456 3.639 -3.036 363 HA ARG 52 HA ARG 52 4.511 5.764 -2.675 364 HB2 ARG 52 1HB ARG 52 5.499 5.807 -4.891 365 HB3 ARG 52 2HB ARG 52 5.306 4.077 -5.090 366 HG2 ARG 52 1HG ARG 52 3.117 4.265 -5.742 367 HG3 ARG 52 2HG ARG 52 2.752 5.464 -4.518 368 HD2 ARG 52 1HD ARG 52 2.527 6.680 -6.541 369 HD3 ARG 52 2HD ARG 52 4.130 7.126 -5.990 370 HE ARG 52 HE ARG 52 5.064 5.970 -7.807 371 HH11 ARG 52 2HH2 ARG 52 1.695 5.027 -7.426 372 HH12 ARG 52 1HH2 ARG 52 1.643 4.137 -8.911 373 HH21 ARG 52 2HH1 ARG 52 4.996 4.796 -9.766 374 HH22 ARG 52 1HH1 ARG 52 3.533 4.005 -10.251 375 H ILE 53 H ILE 53 2.765 5.053 -1.473 376 HA ILE 53 HA ILE 53 1.926 2.275 -1.841 377 HB ILE 53 HB ILE 53 2.484 2.976 0.423 378 HG12 ILE 53 1HG1 ILE 53 -0.461 2.419 -0.036 379 HG13 ILE 53 2HG1 ILE 53 0.818 1.229 0.102 380 HG21 ILE 53 1HG2 ILE 53 1.151 5.367 -0.291 381 HG22 ILE 53 2HG2 ILE 53 0.219 4.628 1.034 382 HG23 ILE 53 3HG2 ILE 53 1.954 4.965 1.246 383 HD11 ILE 53 1HD1 ILE 53 1.277 2.509 2.425 384 HD12 ILE 53 2HD1 ILE 53 -0.444 2.924 2.240 385 HD13 ILE 53 3HD1 ILE 53 0.059 1.217 2.294 386 H SER 54 H SER 54 -0.270 1.753 -2.320 387 HA SER 54 HA SER 54 -2.025 3.942 -2.896 388 HB2 SER 54 1HB SER 54 -2.274 2.417 -5.242 389 HB3 SER 54 2HB SER 54 -1.586 4.023 -5.111 390 HG SER 54 HG SER 54 0.300 3.179 -5.633 391 H TRP 55 H TRP 55 -3.922 3.290 -1.956 392 HA TRP 55 HA TRP 55 -4.442 0.410 -1.843 393 HB2 TRP 55 1HB TRP 55 -5.900 0.880 -0.007 394 HB3 TRP 55 2HB TRP 55 -4.335 1.611 0.290 395 HD1 TRP 55 HD TRP 55 -7.858 2.758 -0.953 396 HE1 TRP 55 1HE TRP 55 -8.335 5.245 -0.212 397 HE3 TRP 55 3HE TRP 55 -3.291 3.569 1.129 398 HZ2 TRP 55 2HZ TRP 55 -6.784 7.228 1.131 399 HZ3 TRP 55 3HZ TRP 55 -2.853 5.808 2.134 400 HH2 TRP 55 HH TRP 55 -4.511 7.604 2.157 401 H GLU 56 H GLU 56 -6.547 -0.385 -2.503 402 HA GLU 56 HA GLU 56 -8.484 1.344 -3.532 403 HB2 GLU 56 1HB GLU 56 -8.295 0.979 -5.904 404 HB3 GLU 56 2HB GLU 56 -6.727 1.530 -5.350 405 HG2 GLU 56 1HG GLU 56 -5.946 -0.857 -5.233 406 HG3 GLU 56 2HG GLU 56 -7.507 -1.386 -5.829 407 H GLU 57 H GLU 57 -10.411 0.151 -4.253 408 HA GLU 57 HA GLU 57 -10.851 -2.118 -2.809 409 HB2 GLU 57 1HB GLU 57 -12.241 -0.658 -5.001 410 HB3 GLU 57 2HB GLU 57 -12.718 -2.335 -4.820 411 HG2 GLU 57 1HG GLU 57 -12.671 -1.496 -2.178 412 HG3 GLU 57 2HG GLU 57 -13.175 -0.029 -2.994 413 H TYR 58 H TYR 58 -11.765 -4.269 -3.986 414 HA TYR 58 HA TYR 58 -9.589 -5.659 -4.909 415 HB2 TYR 58 1HB TYR 58 -11.655 -6.706 -4.065 416 HB3 TYR 58 2HB TYR 58 -12.633 -5.872 -5.255 417 HD1 TYR 58 1HD TYR 58 -9.698 -8.224 -5.230 418 HD2 TYR 58 2HD TYR 58 -13.444 -7.158 -7.000 419 HE1 TYR 58 1HE TYR 58 -9.551 -10.239 -6.774 420 HE2 TYR 58 2HE TYR 58 -13.284 -9.176 -8.538 421 HH TYR 58 HH TYR 58 -10.397 -10.952 -8.884 422 H ASN 59 H ASN 59 -12.403 -4.535 -6.929 423 HA ASN 59 HA ASN 59 -10.490 -4.292 -9.108 424 HB2 ASN 59 1HB ASN 59 -11.928 -6.385 -9.328 425 HB3 ASN 59 2HB ASN 59 -13.351 -5.362 -9.357 426 HD21 ASN 59 1HD2 ASN 59 -12.702 -7.102 -11.401 427 HD22 ASN 59 2HD2 ASN 59 -12.311 -6.223 -12.841 428 H ARG 60 H ARG 60 -11.399 -2.212 -7.322 429 HA ARG 60 HA ARG 60 -13.151 -0.748 -9.128 430 HB2 ARG 60 1HB ARG 60 -13.521 -1.363 -6.322 431 HB3 ARG 60 2HB ARG 60 -13.291 0.368 -6.467 432 HG2 ARG 60 1HG ARG 60 -15.073 0.445 -8.236 433 HG3 ARG 60 2HG ARG 60 -15.316 -1.282 -8.054 434 HD2 ARG 60 1HD ARG 60 -16.202 -1.056 -5.848 435 HD3 ARG 60 2HD ARG 60 -15.518 0.543 -5.633 436 HE ARG 60 HE ARG 60 -17.236 0.844 -7.803 437 HH11 ARG 60 2HH2 ARG 60 -17.597 -0.315 -4.500 438 HH12 ARG 60 1HH2 ARG 60 -19.253 0.176 -4.373 439 HH21 ARG 60 2HH1 ARG 60 -19.421 1.491 -7.636 440 HH22 ARG 60 1HH1 ARG 60 -20.298 1.210 -6.169 441 H THR 61 H THR 61 -11.210 0.121 -10.178 442 HA THR 61 HA THR 61 -9.132 1.356 -8.750 443 HB THR 61 HB THR 61 -10.173 1.747 -11.606 444 HG1 THR 61 1HG THR 61 -9.179 -0.222 -11.812 445 HG21 THR 61 1HG2 THR 61 -7.519 2.036 -11.833 446 HG22 THR 61 2HG2 THR 61 -8.540 3.439 -11.439 447 HG23 THR 61 3HG2 THR 61 -7.656 2.591 -10.148 448 H ASN 62 H ASN 62 -12.339 2.491 -9.784 449 HA ASN 62 HA ASN 62 -12.018 5.142 -9.772 450 HB2 ASN 62 1HB ASN 62 -14.208 3.261 -9.093 451 HB3 ASN 62 2HB ASN 62 -14.387 4.808 -8.288 452 HD21 ASN 62 1HD2 ASN 62 -15.397 6.330 -9.340 453 HD22 ASN 62 2HD2 ASN 62 -15.586 6.477 -11.056 454 H THR 63 H THR 63 -11.687 2.878 -7.089 455 HA THR 63 HA THR 63 -11.576 5.114 -5.177 456 HB THR 63 HB THR 63 -12.197 3.470 -3.497 457 HG1 THR 63 1HG THR 63 -12.026 1.235 -4.059 458 HG21 THR 63 1HG2 THR 63 -13.866 2.136 -5.510 459 HG22 THR 63 2HG2 THR 63 -14.364 3.218 -4.187 460 HG23 THR 63 3HG2 THR 63 -13.863 3.899 -5.754 461 H ARG 64 H ARG 64 -9.420 5.039 -6.823 462 HA ARG 64 HA ARG 64 -7.461 3.539 -5.291 463 HB2 ARG 64 1HB ARG 64 -7.666 3.301 -7.872 464 HB3 ARG 64 2HB ARG 64 -7.007 4.921 -7.975 465 HG2 ARG 64 1HG ARG 64 -5.487 3.059 -6.204 466 HG3 ARG 64 2HG ARG 64 -5.481 2.629 -7.902 467 HD2 ARG 64 1HD ARG 64 -4.787 5.046 -8.416 468 HD3 ARG 64 2HD ARG 64 -4.597 5.290 -6.691 469 HE ARG 64 HE ARG 64 -2.625 4.020 -6.741 470 HH11 ARG 64 2HH2 ARG 64 -4.432 3.488 -9.713 471 HH12 ARG 64 1HH2 ARG 64 -3.159 2.597 -10.478 472 HH21 ARG 64 2HH1 ARG 64 -0.945 2.845 -7.750 473 HH22 ARG 64 1HH1 ARG 64 -1.162 2.228 -9.354 474 H VAL 65 H VAL 65 -5.468 4.643 -4.602 475 HA VAL 65 HA VAL 65 -5.541 7.554 -4.801 476 HB VAL 65 HB VAL 65 -6.705 6.790 -2.711 477 HG11 VAL 65 1HG1 VAL 65 -4.740 6.240 -0.917 478 HG12 VAL 65 2HG1 VAL 65 -5.724 5.001 -1.731 479 HG13 VAL 65 3HG1 VAL 65 -4.108 5.407 -2.357 480 HG21 VAL 65 1HG2 VAL 65 -5.062 8.929 -3.150 481 HG22 VAL 65 2HG2 VAL 65 -6.050 8.692 -1.689 482 HG23 VAL 65 3HG2 VAL 65 -4.333 8.223 -1.688 483 H THR 66 H THR 66 -3.400 8.526 -4.193 484 HA THR 66 HA THR 66 -1.205 6.589 -4.342 485 HB THR 66 HB THR 66 -1.725 8.971 -6.192 486 HG1 THR 66 1HG THR 66 -1.635 7.171 -7.706 487 HG21 THR 66 1HG2 THR 66 0.666 9.029 -5.763 488 HG22 THR 66 2HG2 THR 66 0.766 7.252 -5.755 489 HG23 THR 66 3HG2 THR 66 0.455 8.120 -7.278 490 H HIS 67 H HIS 67 -0.218 6.838 -2.429 491 HA HIS 67 HA HIS 67 0.176 9.604 -1.547 492 HB2 HIS 67 1HB HIS 67 -0.494 7.090 -0.115 493 HB3 HIS 67 2HB HIS 67 0.664 8.138 0.679 494 HD1 HIS 67 1HD HIS 67 -0.703 10.874 -0.347 495 HD2 HIS 67 2HD HIS 67 -2.616 7.686 1.595 496 HE1 HIS 67 1HE HIS 67 -2.797 11.850 0.734 497 H TYR 68 H TYR 68 2.270 9.858 -0.183 498 HA TYR 68 HA TYR 68 4.382 8.148 -1.294 499 HB2 TYR 68 1HB TYR 68 4.011 11.190 -1.166 500 HB3 TYR 68 2HB TYR 68 5.626 10.516 -1.256 501 HD1 TYR 68 1HD TYR 68 5.779 8.570 -3.208 502 HD2 TYR 68 2HD TYR 68 3.137 11.935 -3.173 503 HE1 TYR 68 1HE TYR 68 5.582 8.451 -5.740 504 HE2 TYR 68 2HE TYR 68 2.949 11.804 -5.705 505 HH TYR 68 HH TYR 68 3.899 10.949 -7.536 506 H LEU 69 H LEU 69 6.037 7.625 0.127 507 HA LEU 69 HA LEU 69 6.008 8.999 2.710 508 HB2 LEU 69 1HB LEU 69 6.264 6.010 2.510 509 HB3 LEU 69 2HB LEU 69 6.026 6.996 3.939 510 HG LEU 69 HG LEU 69 3.935 6.832 1.768 511 HD11 LEU 69 1HD1 LEU 69 3.812 4.631 2.226 512 HD12 LEU 69 2HD1 LEU 69 4.678 4.790 3.773 513 HD13 LEU 69 3HD1 LEU 69 2.946 5.187 3.678 514 HD21 LEU 69 1HD2 LEU 69 3.998 7.777 4.625 515 HD22 LEU 69 2HD2 LEU 69 3.436 8.624 3.164 516 HD23 LEU 69 3HD2 LEU 69 2.473 7.292 3.846 517 HA PRO 70 HA PRO 70 10.293 8.916 2.216 518 HB2 PRO 70 1HB PRO 70 11.217 8.870 4.788 519 HB3 PRO 70 2HB PRO 70 10.625 10.324 4.008 520 HG2 PRO 70 1HG PRO 70 9.302 8.648 6.053 521 HG3 PRO 70 2HG PRO 70 8.938 10.296 5.581 522 HD2 PRO 70 1HD PRO 70 7.478 7.937 4.849 523 HD3 PRO 70 2HD PRO 70 7.184 9.569 4.283 524 H ASN 71 H ASN 71 12.471 7.827 2.979 525 HA ASN 71 HA ASN 71 11.921 5.064 2.483 526 HB2 ASN 71 1HB ASN 71 14.368 4.867 2.214 527 HB3 ASN 71 2HB ASN 71 13.806 6.275 1.336 528 HD21 ASN 71 1HD2 ASN 71 14.641 8.196 1.755 529 HD22 ASN 71 2HD2 ASN 71 15.702 8.595 3.064 530 H VAL 72 H VAL 72 11.365 6.601 5.153 531 HA VAL 72 HA VAL 72 12.998 4.888 6.896 532 HB VAL 72 HB VAL 72 12.730 6.549 8.605 533 HG11 VAL 72 1HG1 VAL 72 13.882 8.501 7.521 534 HG12 VAL 72 2HG1 VAL 72 14.612 6.918 7.157 535 HG13 VAL 72 3HG1 VAL 72 13.590 7.728 5.945 536 HG21 VAL 72 1HG2 VAL 72 11.057 8.023 8.668 537 HG22 VAL 72 2HG2 VAL 72 11.552 8.724 7.108 538 HG23 VAL 72 3HG2 VAL 72 10.447 7.329 7.146 539 H THR 73 H THR 73 9.818 5.731 5.703 540 HA THR 73 HA THR 73 8.576 4.166 7.858 541 HB THR 73 HB THR 73 7.578 6.261 5.872 542 HG1 THR 73 1HG THR 73 8.213 7.249 7.777 543 HG21 THR 73 1HG2 THR 73 5.853 4.404 6.154 544 HG22 THR 73 2HG2 THR 73 5.934 4.674 7.911 545 HG23 THR 73 3HG2 THR 73 5.339 5.964 6.839 546 H LEU 74 H LEU 74 7.291 2.365 7.443 547 HA LEU 74 HA LEU 74 7.243 1.466 4.665 548 HB2 LEU 74 1HB LEU 74 7.965 -0.478 6.821 549 HB3 LEU 74 2HB LEU 74 8.196 -0.596 5.088 550 HG LEU 74 HG LEU 74 9.692 1.580 6.448 551 HD11 LEU 74 1HD1 LEU 74 9.818 -0.325 8.061 552 HD12 LEU 74 2HD1 LEU 74 10.577 -1.296 6.777 553 HD13 LEU 74 3HD1 LEU 74 11.386 0.170 7.379 554 HD21 LEU 74 1HD2 LEU 74 9.716 0.349 3.951 555 HD22 LEU 74 2HD2 LEU 74 10.916 1.495 4.593 556 HD23 LEU 74 3HD2 LEU 74 11.182 -0.257 4.759 557 H GLU 75 H GLU 75 5.461 2.557 7.061 558 HA GLU 75 HA GLU 75 3.342 0.692 6.454 559 HB2 GLU 75 1HB GLU 75 2.666 0.442 8.789 560 HB3 GLU 75 2HB GLU 75 4.326 -0.089 8.610 561 HG2 GLU 75 1HG GLU 75 4.131 2.796 9.214 562 HG3 GLU 75 2HG GLU 75 3.390 1.805 10.455 563 H TYR 76 H TYR 76 1.183 1.633 6.738 564 HA TYR 76 HA TYR 76 1.002 4.379 7.563 565 HB2 TYR 76 1HB TYR 76 1.860 4.480 5.185 566 HB3 TYR 76 2HB TYR 76 0.587 3.390 4.673 567 HD1 TYR 76 1HD TYR 76 -1.756 4.171 4.523 568 HD2 TYR 76 2HD TYR 76 1.421 6.836 5.574 569 HE1 TYR 76 1HE TYR 76 -3.257 6.164 4.035 570 HE2 TYR 76 2HE TYR 76 -0.090 8.820 5.083 571 HH TYR 76 HH TYR 76 -3.461 8.313 4.078 572 H ARG 77 H ARG 77 -1.233 5.111 7.720 573 HA ARG 77 HA ARG 77 -2.984 2.828 7.960 574 HB2 ARG 77 1HB ARG 77 -2.610 4.549 9.852 575 HB3 ARG 77 2HB ARG 77 -3.506 5.696 8.877 576 HG2 ARG 77 1HG ARG 77 -4.847 3.056 9.201 577 HG3 ARG 77 2HG ARG 77 -4.642 3.947 10.696 578 HD2 ARG 77 1HD ARG 77 -5.523 5.831 8.705 579 HD3 ARG 77 2HD ARG 77 -6.551 4.418 8.567 580 HE ARG 77 HE ARG 77 -7.477 4.909 10.662 581 HH11 ARG 77 2HH2 ARG 77 -4.471 6.699 10.278 582 HH12 ARG 77 1HH2 ARG 77 -4.691 7.628 11.723 583 HH21 ARG 77 2HH1 ARG 77 -7.767 6.135 12.568 584 HH22 ARG 77 1HH1 ARG 77 -6.578 7.305 13.034 585 H VAL 78 H VAL 78 -4.645 2.477 6.503 586 HA VAL 78 HA VAL 78 -5.083 4.549 4.500 587 HB VAL 78 HB VAL 78 -5.860 1.629 4.638 588 HG11 VAL 78 1HG1 VAL 78 -7.516 2.499 3.270 589 HG12 VAL 78 2HG1 VAL 78 -6.466 3.787 2.633 590 HG13 VAL 78 3HG1 VAL 78 -6.244 2.106 2.089 591 HG21 VAL 78 1HG2 VAL 78 -3.707 3.092 3.077 592 HG22 VAL 78 2HG2 VAL 78 -3.475 1.882 4.361 593 HG23 VAL 78 3HG2 VAL 78 -4.181 1.399 2.800 594 H THR 79 H THR 79 -7.259 5.219 3.916 595 HA THR 79 HA THR 79 -9.417 4.468 5.674 596 HB THR 79 HB THR 79 -9.746 6.817 6.490 597 HG1 THR 79 1HG THR 79 -8.620 7.921 4.790 598 HG21 THR 79 1HG2 THR 79 -7.903 6.939 8.070 599 HG22 THR 79 2HG2 THR 79 -8.233 5.208 7.820 600 HG23 THR 79 3HG2 THR 79 -6.851 5.977 7.004 601 H GLY 80 H GLY 80 -11.495 5.248 4.938 602 HA2 GLY 80 1HA GLY 80 -12.889 6.244 3.387 603 HA3 GLY 80 2HA GLY 80 -11.521 6.592 2.348 604 H LEU 81 H LEU 81 -12.103 3.390 3.851 605 HA LEU 81 HA LEU 81 -12.339 2.296 1.157 606 HB2 LEU 81 1HB LEU 81 -12.020 0.682 3.663 607 HB3 LEU 81 2HB LEU 81 -11.571 0.279 2.018 608 HG LEU 81 HG LEU 81 -10.198 2.512 3.513 609 HD11 LEU 81 1HD1 LEU 81 -8.662 0.059 3.475 610 HD12 LEU 81 2HD1 LEU 81 -9.065 1.134 4.835 611 HD13 LEU 81 3HD1 LEU 81 -10.193 -0.157 4.357 612 HD21 LEU 81 1HD2 LEU 81 -9.280 2.769 1.496 613 HD22 LEU 81 2HD2 LEU 81 -8.385 1.269 1.840 614 HD23 LEU 81 3HD2 LEU 81 -9.904 1.207 0.913 615 H THR 82 H THR 82 -13.596 -0.184 2.462 616 HA THR 82 HA THR 82 -16.257 0.873 3.056 617 HB THR 82 HB THR 82 -15.719 -1.253 0.922 618 HG1 THR 82 1HG THR 82 -16.190 0.621 -0.485 619 HG21 THR 82 1HG2 THR 82 -18.130 0.338 0.627 620 HG22 THR 82 2HG2 THR 82 -17.994 -1.424 0.834 621 HG23 THR 82 3HG2 THR 82 -18.103 -0.367 2.261 622 H ALA 83 H ALA 83 -17.580 -0.504 4.295 623 HA ALA 83 HA ALA 83 -16.106 -2.199 6.017 624 HB1 ALA 83 1HB ALA 83 -19.107 -1.811 5.668 625 HB2 ALA 83 2HB ALA 83 -18.305 -2.566 7.066 626 HB3 ALA 83 3HB ALA 83 -18.051 -0.839 6.719 627 H LEU 84 H LEU 84 -16.093 -4.468 6.192 628 HA LEU 84 HA LEU 84 -15.843 -6.466 5.216 629 HB2 LEU 84 1HB LEU 84 -18.802 -6.073 4.753 630 HB3 LEU 84 2HB LEU 84 -17.957 -7.605 4.856 631 HG LEU 84 HG LEU 84 -18.544 -5.630 7.057 632 HD11 LEU 84 1HD1 LEU 84 -20.256 -7.032 7.320 633 HD12 LEU 84 2HD1 LEU 84 -19.549 -8.237 6.216 634 HD13 LEU 84 3HD1 LEU 84 -19.066 -8.207 7.929 635 HD21 LEU 84 1HD2 LEU 84 -16.348 -6.041 7.628 636 HD22 LEU 84 2HD2 LEU 84 -17.195 -7.350 8.486 637 HD23 LEU 84 3HD2 LEU 84 -16.362 -7.687 6.950 638 H THR 85 H THR 85 -14.729 -4.794 3.474 639 HA THR 85 HA THR 85 -15.716 -5.793 0.896 640 HB THR 85 HB THR 85 -15.071 -2.929 1.728 641 HG1 THR 85 1HG THR 85 -17.168 -4.464 0.370 642 HG21 THR 85 1HG2 THR 85 -15.185 -4.184 -1.058 643 HG22 THR 85 2HG2 THR 85 -15.496 -2.455 -0.773 644 HG23 THR 85 3HG2 THR 85 -13.901 -3.147 -0.390 645 H THR 86 H THR 86 -14.140 -6.280 -0.644 646 HA THR 86 HA THR 86 -11.539 -6.766 0.525 647 HB THR 86 HB THR 86 -12.769 -7.419 -2.206 648 HG1 THR 86 1HG THR 86 -12.194 -9.045 0.160 649 HG21 THR 86 1HG2 THR 86 -10.273 -7.578 -2.238 650 HG22 THR 86 2HG2 THR 86 -10.321 -8.545 -0.744 651 HG23 THR 86 3HG2 THR 86 -11.010 -9.199 -2.249 652 H TYR 87 H TYR 87 -9.645 -5.742 0.104 653 HA TYR 87 HA TYR 87 -9.676 -3.726 -2.018 654 HB2 TYR 87 1HB TYR 87 -9.219 -3.506 0.990 655 HB3 TYR 87 2HB TYR 87 -8.273 -2.461 -0.051 656 HD1 TYR 87 2HD TYR 87 -11.654 -3.220 1.189 657 HD2 TYR 87 1HD TYR 87 -9.314 -0.629 -1.283 658 HE1 TYR 87 2HE TYR 87 -13.582 -1.567 1.086 659 HE2 TYR 87 1HE TYR 87 -11.250 1.016 -1.379 660 HH TYR 87 HH TYR 87 -13.284 1.433 -0.801 661 H THR 88 H THR 88 -7.481 -3.031 -2.666 662 HA THR 88 HA THR 88 -5.440 -5.011 -1.899 663 HB THR 88 HB THR 88 -6.479 -4.118 -4.594 664 HG1 THR 88 1HG THR 88 -5.905 -6.474 -4.832 665 HG21 THR 88 1HG2 THR 88 -3.943 -3.557 -4.451 666 HG22 THR 88 2HG2 THR 88 -3.692 -5.301 -4.197 667 HG23 THR 88 3HG2 THR 88 -4.426 -4.718 -5.711 668 H ILE 89 H ILE 89 -3.719 -4.140 -0.947 669 HA ILE 89 HA ILE 89 -3.290 -1.277 -1.383 670 HB ILE 89 HB ILE 89 -2.165 -3.023 0.803 671 HG12 ILE 89 1HG1 ILE 89 -4.426 -3.229 1.245 672 HG13 ILE 89 2HG1 ILE 89 -3.993 -1.815 2.185 673 HG21 ILE 89 1HG2 ILE 89 -1.119 -1.208 1.550 674 HG22 ILE 89 2HG2 ILE 89 -1.490 -0.457 -0.021 675 HG23 ILE 89 3HG2 ILE 89 -2.573 -0.198 1.368 676 HD11 ILE 89 1HD1 ILE 89 -5.822 -0.919 1.108 677 HD12 ILE 89 2HD1 ILE 89 -4.619 -0.586 -0.161 678 HD13 ILE 89 3HD1 ILE 89 -5.670 -2.018 -0.284 679 H GLU 90 H GLU 90 -1.749 -0.714 -2.814 680 HA GLU 90 HA GLU 90 0.287 -2.710 -3.367 681 HB2 GLU 90 1HB GLU 90 -0.415 -0.209 -4.964 682 HB3 GLU 90 2HB GLU 90 0.655 -1.499 -5.474 683 HG2 GLU 90 1HG GLU 90 -1.081 -2.797 -6.166 684 HG3 GLU 90 2HG GLU 90 -1.947 -2.576 -4.659 685 H VAL 91 H VAL 91 2.329 -2.430 -2.577 686 HA VAL 91 HA VAL 91 3.036 0.289 -1.715 687 HB VAL 91 HB VAL 91 3.849 -2.412 -0.628 688 HG11 VAL 91 1HG1 VAL 91 4.617 -0.049 0.929 689 HG12 VAL 91 2HG1 VAL 91 5.564 -1.489 0.486 690 HG13 VAL 91 3HG1 VAL 91 5.420 -0.133 -0.658 691 HG21 VAL 91 1HG2 VAL 91 2.448 -0.214 0.891 692 HG22 VAL 91 2HG2 VAL 91 1.532 -1.378 -0.096 693 HG23 VAL 91 3HG2 VAL 91 2.540 -1.954 1.254 694 H ALA 92 H ALA 92 4.534 1.260 -2.970 695 HA ALA 92 HA ALA 92 6.429 -0.507 -4.363 696 HB1 ALA 92 1HB ALA 92 5.449 0.337 -6.221 697 HB2 ALA 92 2HB ALA 92 4.642 1.638 -5.314 698 HB3 ALA 92 3HB ALA 92 6.333 1.832 -5.834 699 H ALA 93 H ALA 93 8.559 0.600 -4.854 700 HA ALA 93 HA ALA 93 9.251 2.304 -2.567 701 HB1 ALA 93 1HB ALA 93 11.618 1.478 -3.239 702 HB2 ALA 93 2HB ALA 93 10.518 0.315 -2.462 703 HB3 ALA 93 3HB ALA 93 10.761 0.269 -4.225 704 H MET 94 H MET 94 10.994 3.966 -3.019 705 HA MET 94 HA MET 94 10.839 4.886 -5.775 706 HB2 MET 94 1HB MET 94 10.380 6.490 -3.203 707 HB3 MET 94 2HB MET 94 10.705 7.265 -4.741 708 HG2 MET 94 1HG MET 94 8.705 5.981 -5.707 709 HG3 MET 94 2HG MET 94 8.337 5.454 -4.077 710 HE1 MET 94 1HE MET 94 8.140 8.832 -2.206 711 HE2 MET 94 2HE MET 94 7.049 7.425 -2.179 712 HE3 MET 94 3HE MET 94 8.812 7.184 -2.204 713 H THR 95 H THR 95 12.834 5.338 -6.622 714 HA THR 95 HA THR 95 14.995 5.890 -4.696 715 HB THR 95 HB THR 95 16.414 4.626 -6.470 716 HG1 THR 95 1HG THR 95 13.705 3.677 -7.055 717 HG21 THR 95 1HG2 THR 95 15.443 2.323 -5.792 718 HG22 THR 95 2HG2 THR 95 15.950 3.375 -4.449 719 HG23 THR 95 3HG2 THR 95 14.225 3.227 -4.861 720 H SER 96 H SER 96 17.002 6.437 -6.591 721 HA SER 96 HA SER 96 16.287 9.095 -7.162 722 HB2 SER 96 1HB SER 96 18.541 9.409 -7.573 723 HB3 SER 96 2HB SER 96 18.632 7.931 -6.636 724 HG SER 96 HG SER 96 18.960 8.318 -9.450 725 H LYS 97 H LYS 97 15.796 6.110 -8.792 726 HA LYS 97 HA LYS 97 15.893 7.285 -11.442 727 HB2 LYS 97 1HB LYS 97 15.785 4.554 -10.292 728 HB3 LYS 97 2HB LYS 97 14.911 4.773 -11.794 729 HG2 LYS 97 1HG LYS 97 17.781 5.735 -11.428 730 HG3 LYS 97 2HG LYS 97 17.402 4.120 -11.991 731 HD2 LYS 97 1HD LYS 97 16.190 6.549 -13.355 732 HD3 LYS 97 2HD LYS 97 17.810 6.020 -13.762 733 HE2 LYS 97 1HE LYS 97 16.002 3.726 -13.714 734 HE3 LYS 97 2HE LYS 97 15.349 4.976 -14.754 735 HZ1 LYS 97 1HZ LYS 97 17.180 3.264 -15.533 736 HZ2 LYS 97 2HZ LYS 97 17.041 4.756 -16.181 737 HZ3 LYS 97 3HZ LYS 97 18.167 4.465 -15.034 738 H GLY 98 H GLY 98 13.483 5.771 -9.192 739 HA2 GLY 98 1HA GLY 98 11.472 7.587 -9.520 740 HA3 GLY 98 2HA GLY 98 11.269 6.490 -10.872 741 H GLN 99 H GLN 99 9.662 5.049 -10.413 742 HA GLN 99 HA GLN 99 9.659 3.964 -7.705 743 HB2 GLN 99 1HB GLN 99 7.619 5.239 -8.228 744 HB3 GLN 99 2HB GLN 99 7.363 4.298 -9.684 745 HG2 GLN 99 1HG GLN 99 7.638 2.368 -7.627 746 HG3 GLN 99 2HG GLN 99 6.671 3.643 -6.910 747 HE21 GLN 99 1HE2 GLN 99 4.704 2.785 -6.906 748 HE22 GLN 99 2HE2 GLN 99 3.818 2.254 -8.297 749 H GLY 100 H GLY 100 9.854 1.747 -7.429 750 HA2 GLY 100 1HA GLY 100 10.326 0.191 -9.872 751 HA3 GLY 100 2HA GLY 100 10.845 -0.207 -8.246 752 H GLN 101 H GLN 101 9.882 -2.377 -8.775 753 HA GLN 101 HA GLN 101 7.341 -2.876 -9.427 754 HB2 GLN 101 1HB GLN 101 9.401 -4.419 -8.670 755 HB3 GLN 101 2HB GLN 101 8.512 -4.480 -7.161 756 HG2 GLN 101 1HG GLN 101 6.754 -5.687 -8.074 757 HG3 GLN 101 2HG GLN 101 6.886 -4.910 -9.639 758 HE21 GLN 101 1HE2 GLN 101 6.597 -7.698 -9.080 759 HE22 GLN 101 2HE2 GLN 101 7.972 -8.533 -9.723 760 H VAL 102 H VAL 102 5.545 -3.830 -7.878 761 HA VAL 102 HA VAL 102 5.377 -2.239 -5.434 762 HB VAL 102 HB VAL 102 4.259 -1.172 -7.518 763 HG11 VAL 102 1HG1 VAL 102 1.858 -2.800 -6.833 764 HG12 VAL 102 2HG1 VAL 102 2.330 -2.039 -8.371 765 HG13 VAL 102 3HG1 VAL 102 3.092 -3.565 -7.863 766 HG21 VAL 102 1HG2 VAL 102 2.565 -1.563 -5.032 767 HG22 VAL 102 2HG2 VAL 102 3.989 -0.498 -5.109 768 HG23 VAL 102 3HG2 VAL 102 2.574 -0.167 -6.137 769 H SER 103 H SER 103 4.256 -3.268 -3.755 770 HA SER 103 HA SER 103 3.623 -6.037 -4.367 771 HB2 SER 103 1HB SER 103 4.750 -4.603 -2.015 772 HB3 SER 103 2HB SER 103 3.593 -5.856 -1.614 773 HG SER 103 HG SER 103 5.808 -6.299 -3.419 774 H ALA 104 H ALA 104 1.456 -6.152 -4.939 775 HA ALA 104 HA ALA 104 -0.434 -4.566 -3.371 776 HB1 ALA 104 1HB ALA 104 -1.412 -6.178 -5.649 777 HB2 ALA 104 2HB ALA 104 -1.675 -4.460 -5.267 778 HB3 ALA 104 3HB ALA 104 -0.177 -4.972 -6.082 779 H SER 105 H SER 105 -1.388 -5.524 -1.653 780 HA SER 105 HA SER 105 -1.704 -8.420 -1.824 781 HB2 SER 105 1HB SER 105 -0.612 -6.680 0.294 782 HB3 SER 105 2HB SER 105 -1.858 -7.757 0.893 783 HG SER 105 HG SER 105 0.577 -8.464 0.692 784 H THR 106 H THR 106 -3.787 -9.225 -1.552 785 HA THR 106 HA THR 106 -5.920 -7.307 -1.448 786 HB THR 106 HB THR 106 -6.444 -10.250 -1.242 787 HG1 THR 106 1HG THR 106 -5.542 -10.460 -3.442 788 HG21 THR 106 1HG2 THR 106 -7.734 -9.719 -3.364 789 HG22 THR 106 2HG2 THR 106 -8.255 -8.744 -1.970 790 HG23 THR 106 3HG2 THR 106 -7.200 -8.028 -3.211 791 H ILE 107 H ILE 107 -6.926 -6.521 0.285 792 HA ILE 107 HA ILE 107 -7.064 -8.212 2.650 793 HB ILE 107 HB ILE 107 -5.026 -6.837 2.865 794 HG12 ILE 107 1HG1 ILE 107 -6.780 -7.505 4.760 795 HG13 ILE 107 2HG1 ILE 107 -5.319 -6.598 5.100 796 HG21 ILE 107 1HG2 ILE 107 -5.386 -4.373 3.351 797 HG22 ILE 107 2HG2 ILE 107 -5.507 -4.873 1.647 798 HG23 ILE 107 3HG2 ILE 107 -6.984 -4.553 2.588 799 HD11 ILE 107 1HD1 ILE 107 -7.659 -5.721 5.980 800 HD12 ILE 107 2HD1 ILE 107 -6.460 -4.565 5.352 801 HD13 ILE 107 3HD1 ILE 107 -7.818 -5.085 4.325 802 H SER 108 H SER 108 -9.083 -8.179 3.513 803 HA SER 108 HA SER 108 -10.857 -6.156 2.420 804 HB2 SER 108 1HB SER 108 -11.706 -8.331 1.964 805 HB3 SER 108 2HB SER 108 -11.287 -8.934 3.555 806 HG SER 108 HG SER 108 -13.415 -8.571 3.841 807 H SER 109 H SER 109 -12.010 -4.736 3.777 808 HA SER 109 HA SER 109 -10.929 -3.967 6.104 809 HB2 SER 109 1HB SER 109 -13.052 -2.786 6.554 810 HB3 SER 109 2HB SER 109 -12.618 -2.669 4.860 811 HG SER 109 HG SER 109 -14.708 -3.281 4.697 812 H GLY 110 H GLY 110 -11.894 -4.054 8.397 813 HA2 GLY 110 1HA GLY 110 -12.175 -6.795 9.176 814 HA3 GLY 110 2HA GLY 110 -12.183 -5.380 10.209 815 H VAL 111 H VAL 111 -14.186 -4.176 10.543 816 HA VAL 111 HA VAL 111 -16.595 -4.849 9.328 817 HB VAL 111 HB VAL 111 -16.327 -7.016 10.359 818 HG11 VAL 111 1HG1 VAL 111 -14.807 -6.427 12.179 819 HG12 VAL 111 2HG1 VAL 111 -16.106 -5.523 12.995 820 HG13 VAL 111 3HG1 VAL 111 -16.231 -7.289 12.810 821 HG21 VAL 111 1HG2 VAL 111 -18.397 -6.998 11.847 822 HG22 VAL 111 2HG2 VAL 111 -18.434 -5.235 11.606 823 HG23 VAL 111 3HG2 VAL 111 -18.592 -6.328 10.210 824 HA PRO 112 HA PRO 112 -17.383 -1.197 11.513 825 HB2 PRO 112 1HB PRO 112 -20.032 -0.861 10.933 826 HB3 PRO 112 2HB PRO 112 -18.746 -0.410 9.832 827 HG2 PRO 112 1HG PRO 112 -20.566 -2.736 9.703 828 HG3 PRO 112 2HG PRO 112 -19.583 -2.038 8.430 829 HD2 PRO 112 1HD PRO 112 -19.033 -4.437 9.903 830 HD3 PRO 112 2HD PRO 112 -17.996 -3.677 8.713 831 HA PRO 113 HA PRO 113 -18.774 -2.576 15.315 832 HB2 PRO 113 1HB PRO 113 -18.037 -0.415 16.817 833 HB3 PRO 113 2HB PRO 113 -16.943 -1.727 16.424 834 HG2 PRO 113 1HG PRO 113 -17.048 1.001 15.290 835 HG3 PRO 113 2HG PRO 113 -15.738 -0.161 15.234 836 HD2 PRO 113 1HD PRO 113 -17.545 0.492 13.104 837 HD3 PRO 113 2HD PRO 113 -16.310 -0.751 13.087 838 H SER 114 H SER 114 -20.214 -1.850 17.183 839 HA SER 114 HA SER 114 -21.836 0.338 16.784 840 HB2 SER 114 1HB SER 114 -22.491 -1.723 14.973 841 HB3 SER 114 2HB SER 114 -23.684 -1.878 16.247 842 HG SER 114 HG SER 114 -23.245 0.259 14.420 843 H GLY 115 H GLY 115 -22.412 0.735 18.886 844 HA2 GLY 115 1HA GLY 115 -23.078 0.402 21.006 845 HA3 GLY 115 2HA GLY 115 -23.869 -1.066 20.466 846 HA PRO 116 HA PRO 116 -20.566 -2.511 23.145 847 HB2 PRO 116 1HB PRO 116 -22.025 -4.410 24.463 848 HB3 PRO 116 2HB PRO 116 -21.843 -2.767 25.045 849 HG2 PRO 116 1HG PRO 116 -24.186 -4.028 23.757 850 HG3 PRO 116 2HG PRO 116 -24.116 -2.561 24.712 851 HD2 PRO 116 1HD PRO 116 -24.321 -2.742 21.857 852 HD3 PRO 116 2HD PRO 116 -24.135 -1.279 22.804 853 H SER 117 H SER 117 -19.331 -4.504 23.304 854 HA SER 117 HA SER 117 -19.935 -6.066 20.923 855 HB2 SER 117 1HB SER 117 -17.310 -5.671 22.426 856 HB3 SER 117 2HB SER 117 -17.503 -6.737 21.049 857 HG SER 117 HG SER 117 -17.407 -5.060 19.717 858 H SER 118 H SER 118 -19.521 -8.453 21.056 859 HA SER 118 HA SER 118 -19.153 -9.591 23.615 860 HB2 SER 118 1HB SER 118 -21.796 -8.867 23.032 861 HB3 SER 118 2HB SER 118 -21.745 -10.565 22.600 862 HG SER 118 HG SER 118 -20.514 -10.630 24.865 863 H GLY 119 H GLY 119 -17.507 -10.831 22.633 864 HA2 GLY 119 1HA GLY 119 -17.205 -13.080 21.843 865 HA3 GLY 119 2HA GLY 119 -18.457 -12.805 20.648 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.062 -13.340 9.558 2 HA2 GLY 1 1HA GLY 1 0.726 -14.280 7.391 3 HA3 GLY 1 2HA GLY 1 0.868 -15.382 8.746 4 H SER 2 H SER 2 -0.223 -15.095 5.577 5 HA SER 2 HA SER 2 -2.112 -17.277 6.004 6 HB2 SER 2 1HB SER 2 -3.130 -16.492 3.779 7 HB3 SER 2 2HB SER 2 -3.413 -15.468 5.172 8 HG SER 2 HG SER 2 -1.980 -13.945 4.418 9 H SER 3 H SER 3 -2.240 -18.820 4.064 10 HA SER 3 HA SER 3 0.125 -19.957 3.560 11 HB2 SER 3 1HB SER 3 -2.177 -20.869 3.035 12 HB3 SER 3 2HB SER 3 -2.201 -19.881 1.588 13 HG SER 3 HG SER 3 -0.147 -21.021 0.976 14 H GLY 4 H GLY 4 -1.643 -17.807 1.202 15 HA2 GLY 4 1HA GLY 4 -0.072 -15.968 0.395 16 HA3 GLY 4 2HA GLY 4 0.939 -17.299 -0.133 17 H SER 5 H SER 5 0.796 -17.247 -2.358 18 HA SER 5 HA SER 5 -1.721 -17.989 -3.459 19 HB2 SER 5 1HB SER 5 -0.756 -15.201 -3.629 20 HB3 SER 5 2HB SER 5 -1.089 -15.901 -5.201 21 HG SER 5 HG SER 5 -2.895 -15.634 -2.962 22 H SER 6 H SER 6 -0.931 -19.779 -4.535 23 HA SER 6 HA SER 6 1.662 -19.978 -5.454 24 HB2 SER 6 1HB SER 6 -0.894 -21.503 -5.859 25 HB3 SER 6 2HB SER 6 0.414 -21.836 -6.977 26 HG SER 6 HG SER 6 0.400 -23.206 -5.028 27 H GLY 7 H GLY 7 2.673 -19.232 -7.297 28 HA2 GLY 7 1HA GLY 7 2.076 -19.148 -9.821 29 HA3 GLY 7 2HA GLY 7 0.992 -17.877 -9.288 30 HA PRO 8 HA PRO 8 5.507 -16.474 -8.695 31 HB2 PRO 8 1HB PRO 8 7.418 -17.755 -10.171 32 HB3 PRO 8 2HB PRO 8 7.097 -18.127 -8.489 33 HG2 PRO 8 1HG PRO 8 6.355 -19.666 -10.901 34 HG3 PRO 8 2HG PRO 8 6.428 -20.204 -9.235 35 HD2 PRO 8 1HD PRO 8 4.065 -19.570 -10.731 36 HD3 PRO 8 2HD PRO 8 4.147 -19.995 -9.033 37 H GLN 9 H GLN 9 7.190 -15.254 -10.118 38 HA GLN 9 HA GLN 9 5.730 -14.647 -12.571 39 HB2 GLN 9 1HB GLN 9 7.065 -12.812 -10.561 40 HB3 GLN 9 2HB GLN 9 6.855 -12.296 -12.222 41 HG2 GLN 9 1HG GLN 9 4.560 -13.349 -10.508 42 HG3 GLN 9 2HG GLN 9 4.966 -11.648 -10.616 43 HE21 GLN 9 1HE2 GLN 9 4.175 -10.471 -12.208 44 HE22 GLN 9 2HE2 GLN 9 3.348 -11.056 -13.614 45 H LEU 10 H LEU 10 8.978 -14.011 -11.044 46 HA LEU 10 HA LEU 10 11.034 -14.334 -11.785 47 HB2 LEU 10 1HB LEU 10 9.529 -16.474 -13.019 48 HB3 LEU 10 2HB LEU 10 10.848 -15.967 -14.056 49 HG LEU 10 HG LEU 10 12.385 -16.233 -12.047 50 HD11 LEU 10 1HD1 LEU 10 9.839 -17.342 -10.893 51 HD12 LEU 10 2HD1 LEU 10 11.424 -17.956 -10.367 52 HD13 LEU 10 3HD1 LEU 10 11.027 -16.233 -10.167 53 HD21 LEU 10 1HD2 LEU 10 11.381 -18.949 -12.463 54 HD22 LEU 10 2HD2 LEU 10 11.551 -18.023 -13.973 55 HD23 LEU 10 3HD2 LEU 10 12.949 -18.221 -12.889 56 H VAL 11 H VAL 11 12.057 -12.627 -12.665 57 HA VAL 11 HA VAL 11 11.970 -12.092 -15.407 58 HB VAL 11 HB VAL 11 9.677 -11.309 -14.710 59 HG11 VAL 11 1HG1 VAL 11 10.902 -10.192 -12.564 60 HG12 VAL 11 2HG1 VAL 11 10.813 -8.782 -13.648 61 HG13 VAL 11 3HG1 VAL 11 9.328 -9.656 -13.200 62 HG21 VAL 11 1HG2 VAL 11 10.020 -10.298 -16.683 63 HG22 VAL 11 2HG2 VAL 11 10.390 -8.837 -15.735 64 HG23 VAL 11 3HG2 VAL 11 11.708 -9.899 -16.285 65 H ARG 12 H ARG 12 13.867 -11.075 -15.894 66 HA ARG 12 HA ARG 12 14.920 -9.124 -14.159 67 HB2 ARG 12 1HB ARG 12 15.577 -11.705 -13.392 68 HB3 ARG 12 2HB ARG 12 16.916 -11.326 -14.457 69 HG2 ARG 12 1HG ARG 12 17.029 -9.055 -13.109 70 HG3 ARG 12 2HG ARG 12 16.074 -9.906 -11.911 71 HD2 ARG 12 1HD ARG 12 17.925 -10.971 -11.142 72 HD3 ARG 12 2HD ARG 12 18.224 -11.656 -12.727 73 HE ARG 12 HE ARG 12 19.057 -8.928 -12.789 74 HH11 ARG 12 2HH2 ARG 12 19.976 -11.967 -11.271 75 HH12 ARG 12 1HH2 ARG 12 21.649 -11.539 -11.133 76 HH21 ARG 12 2HH1 ARG 12 21.263 -8.363 -12.608 77 HH22 ARG 12 1HH1 ARG 12 22.386 -9.476 -11.899 78 H THR 13 H THR 13 15.709 -7.666 -15.644 79 HA THR 13 HA THR 13 17.581 -8.522 -17.637 80 HB THR 13 HB THR 13 15.303 -9.095 -18.638 81 HG1 THR 13 1HG THR 13 16.788 -8.602 -20.237 82 HG21 THR 13 1HG2 THR 13 14.755 -6.354 -17.784 83 HG22 THR 13 2HG2 THR 13 14.622 -6.480 -19.554 84 HG23 THR 13 3HG2 THR 13 13.638 -7.534 -18.510 85 H HIS 14 H HIS 14 18.282 -6.996 -15.630 86 HA HIS 14 HA HIS 14 19.235 -5.077 -15.151 87 HB2 HIS 14 1HB HIS 14 18.958 -4.931 -18.064 88 HB3 HIS 14 2HB HIS 14 18.983 -3.348 -17.311 89 HD1 HIS 14 1HD HIS 14 21.358 -3.228 -18.675 90 HD2 HIS 14 2HD HIS 14 21.206 -5.769 -15.340 91 HE1 HIS 14 1HE HIS 14 23.780 -3.705 -18.027 92 H GLU 15 H GLU 15 18.427 -3.557 -13.781 93 HA GLU 15 HA GLU 15 16.047 -2.150 -14.606 94 HB2 GLU 15 1HB GLU 15 16.229 -3.905 -12.131 95 HB3 GLU 15 2HB GLU 15 15.084 -2.582 -12.233 96 HG2 GLU 15 1HG GLU 15 14.742 -3.911 -14.682 97 HG3 GLU 15 2HG GLU 15 15.016 -5.222 -13.552 98 H ASP 16 H ASP 16 15.699 -0.144 -13.375 99 HA ASP 16 HA ASP 16 18.184 0.682 -12.103 100 HB2 ASP 16 1HB ASP 16 17.235 1.870 -14.216 101 HB3 ASP 16 2HB ASP 16 15.982 2.498 -13.165 102 H VAL 17 H VAL 17 14.739 0.105 -11.748 103 HA VAL 17 HA VAL 17 14.642 1.639 -9.260 104 HB VAL 17 HB VAL 17 12.161 0.902 -9.483 105 HG11 VAL 17 1HG1 VAL 17 12.758 3.200 -9.664 106 HG12 VAL 17 2HG1 VAL 17 13.522 2.951 -11.252 107 HG13 VAL 17 3HG1 VAL 17 11.754 2.827 -11.085 108 HG21 VAL 17 1HG2 VAL 17 12.923 0.699 -12.405 109 HG22 VAL 17 2HG2 VAL 17 12.748 -0.730 -11.358 110 HG23 VAL 17 3HG2 VAL 17 11.357 0.344 -11.638 111 HA PRO 18 HA PRO 18 14.677 -1.948 -6.851 112 HB2 PRO 18 1HB PRO 18 12.917 -1.419 -4.828 113 HB3 PRO 18 2HB PRO 18 14.543 -0.767 -4.879 114 HG2 PRO 18 1HG PRO 18 11.980 0.599 -5.432 115 HG3 PRO 18 2HG PRO 18 13.542 1.303 -5.062 116 HD2 PRO 18 1HD PRO 18 12.300 1.139 -7.643 117 HD3 PRO 18 2HD PRO 18 13.909 1.737 -7.290 118 H GLY 19 H GLY 19 13.240 -3.662 -5.578 119 HA2 GLY 19 1HA GLY 19 11.250 -4.459 -7.603 120 HA3 GLY 19 2HA GLY 19 12.135 -5.533 -6.538 121 HA PRO 20 HA PRO 20 8.185 -4.921 -4.482 122 HB2 PRO 20 1HB PRO 20 7.767 -7.532 -3.793 123 HB3 PRO 20 2HB PRO 20 7.155 -6.823 -5.274 124 HG2 PRO 20 1HG PRO 20 9.436 -8.667 -4.906 125 HG3 PRO 20 2HG PRO 20 8.555 -8.289 -6.373 126 HD2 PRO 20 1HD PRO 20 11.148 -7.313 -5.628 127 HD3 PRO 20 2HD PRO 20 10.217 -6.846 -7.038 128 H VAL 21 H VAL 21 7.914 -4.224 -2.445 129 HA VAL 21 HA VAL 21 10.096 -4.318 -0.738 130 HB VAL 21 HB VAL 21 8.292 -3.682 0.985 131 HG11 VAL 21 1HG1 VAL 21 8.452 -1.948 -1.497 132 HG12 VAL 21 2HG1 VAL 21 8.246 -1.431 0.194 133 HG13 VAL 21 3HG1 VAL 21 9.792 -2.132 -0.341 134 HG21 VAL 21 1HG2 VAL 21 6.463 -2.999 -1.232 135 HG22 VAL 21 2HG2 VAL 21 6.559 -4.735 -0.850 136 HG23 VAL 21 3HG2 VAL 21 6.111 -3.568 0.417 137 H GLY 22 H GLY 22 9.874 -5.242 1.630 138 HA2 GLY 22 1HA GLY 22 10.284 -7.878 1.699 139 HA3 GLY 22 2HA GLY 22 9.538 -7.005 3.023 140 H HIS 23 H HIS 23 7.245 -7.081 3.344 141 HA HIS 23 HA HIS 23 5.687 -8.585 1.446 142 HB2 HIS 23 1HB HIS 23 5.232 -10.442 2.692 143 HB3 HIS 23 2HB HIS 23 6.901 -10.168 3.151 144 HD1 HIS 23 1HD HIS 23 3.505 -10.466 4.544 145 HD2 HIS 23 2HD HIS 23 7.187 -8.879 5.778 146 HE1 HIS 23 1HE HIS 23 3.337 -10.151 7.070 147 H LEU 24 H LEU 24 3.530 -7.958 1.479 148 HA LEU 24 HA LEU 24 2.938 -5.583 2.868 149 HB2 LEU 24 1HB LEU 24 1.661 -7.365 0.921 150 HB3 LEU 24 2HB LEU 24 0.528 -6.585 2.007 151 HG LEU 24 HG LEU 24 1.058 -5.435 -0.219 152 HD11 LEU 24 1HD1 LEU 24 0.768 -4.282 2.473 153 HD12 LEU 24 2HD1 LEU 24 1.395 -3.155 1.246 154 HD13 LEU 24 3HD1 LEU 24 -0.158 -3.985 0.982 155 HD21 LEU 24 1HD2 LEU 24 3.643 -5.762 0.413 156 HD22 LEU 24 2HD2 LEU 24 3.054 -4.453 -0.640 157 HD23 LEU 24 3HD2 LEU 24 3.390 -4.131 1.078 158 H SER 25 H SER 25 1.702 -5.178 4.708 159 HA SER 25 HA SER 25 0.622 -7.497 6.053 160 HB2 SER 25 1HB SER 25 3.001 -7.049 6.881 161 HB3 SER 25 2HB SER 25 2.428 -5.512 7.498 162 HG SER 25 HG SER 25 1.121 -7.981 8.212 163 H PHE 26 H PHE 26 -1.132 -6.964 7.509 164 HA PHE 26 HA PHE 26 -1.857 -4.131 7.560 165 HB2 PHE 26 1HB PHE 26 -3.682 -6.539 6.976 166 HB3 PHE 26 2HB PHE 26 -4.201 -4.866 7.008 167 HD1 PHE 26 1HD PHE 26 -1.991 -3.581 5.483 168 HD2 PHE 26 2HD PHE 26 -4.098 -7.196 4.779 169 HE1 PHE 26 1HE PHE 26 -1.507 -3.384 3.028 170 HE2 PHE 26 2HE PHE 26 -3.614 -7.000 2.324 171 HZ PHE 26 HZ PHE 26 -2.325 -5.096 1.478 172 H SER 27 H SER 27 -2.633 -3.434 9.528 173 HA SER 27 HA SER 27 -3.499 -5.491 11.378 174 HB2 SER 27 1HB SER 27 -1.302 -3.447 11.862 175 HB3 SER 27 2HB SER 27 -2.186 -4.166 13.194 176 HG SER 27 HG SER 27 -1.263 -6.118 12.835 177 H GLU 28 H GLU 28 -4.442 -4.296 13.471 178 HA GLU 28 HA GLU 28 -6.228 -3.175 14.094 179 HB2 GLU 28 1HB GLU 28 -4.415 -0.924 13.127 180 HB3 GLU 28 2HB GLU 28 -5.842 -0.652 14.107 181 HG2 GLU 28 1HG GLU 28 -4.201 -2.776 15.273 182 HG3 GLU 28 2HG GLU 28 -3.239 -1.334 15.019 183 H ILE 29 H ILE 29 -7.081 -4.300 11.855 184 HA ILE 29 HA ILE 29 -7.861 -2.330 9.908 185 HB ILE 29 HB ILE 29 -8.674 -5.228 10.125 186 HG12 ILE 29 1HG1 ILE 29 -6.106 -3.979 9.293 187 HG13 ILE 29 2HG1 ILE 29 -6.418 -5.542 10.021 188 HG21 ILE 29 1HG2 ILE 29 -9.416 -5.095 7.953 189 HG22 ILE 29 2HG2 ILE 29 -9.854 -3.482 8.565 190 HG23 ILE 29 3HG2 ILE 29 -8.394 -3.689 7.569 191 HD11 ILE 29 1HD1 ILE 29 -6.689 -4.726 7.114 192 HD12 ILE 29 2HD1 ILE 29 -5.795 -6.098 7.811 193 HD13 ILE 29 3HD1 ILE 29 -7.573 -6.138 7.741 194 H LEU 30 H LEU 30 -10.048 -1.713 9.427 195 HA LEU 30 HA LEU 30 -11.916 -2.255 11.623 196 HB2 LEU 30 1HB LEU 30 -11.568 0.417 10.263 197 HB3 LEU 30 2HB LEU 30 -12.650 0.033 11.587 198 HG LEU 30 HG LEU 30 -9.679 -0.309 11.919 199 HD11 LEU 30 1HD1 LEU 30 -9.632 1.893 11.198 200 HD12 LEU 30 2HD1 LEU 30 -11.225 2.269 11.898 201 HD13 LEU 30 3HD1 LEU 30 -9.812 2.065 12.960 202 HD21 LEU 30 1HD2 LEU 30 -10.449 -1.074 13.873 203 HD22 LEU 30 2HD2 LEU 30 -10.737 0.637 14.271 204 HD23 LEU 30 3HD2 LEU 30 -12.062 -0.363 13.628 205 H ASP 31 H ASP 31 -13.616 -0.191 9.889 206 HA ASP 31 HA ASP 31 -14.563 -2.302 8.130 207 HB2 ASP 31 1HB ASP 31 -16.700 -1.021 8.105 208 HB3 ASP 31 2HB ASP 31 -16.226 -1.466 9.732 209 H THR 32 H THR 32 -13.146 0.916 8.350 210 HA THR 32 HA THR 32 -12.939 1.050 5.470 211 HB THR 32 HB THR 32 -14.046 3.242 5.310 212 HG1 THR 32 1HG THR 32 -14.573 2.755 8.155 213 HG21 THR 32 1HG2 THR 32 -16.360 2.701 5.912 214 HG22 THR 32 2HG2 THR 32 -15.595 1.212 5.308 215 HG23 THR 32 3HG2 THR 32 -15.812 1.454 7.058 216 H SER 33 H SER 33 -11.214 0.663 7.901 217 HA SER 33 HA SER 33 -9.244 2.526 7.062 218 HB2 SER 33 1HB SER 33 -8.942 3.060 9.714 219 HB3 SER 33 2HB SER 33 -9.816 4.106 8.612 220 HG SER 33 HG SER 33 -11.703 2.496 9.259 221 H LEU 34 H LEU 34 -7.263 1.491 7.179 222 HA LEU 34 HA LEU 34 -6.811 -0.444 9.272 223 HB2 LEU 34 1HB LEU 34 -6.341 -2.289 7.835 224 HB3 LEU 34 2HB LEU 34 -7.987 -1.749 7.570 225 HG LEU 34 HG LEU 34 -7.081 -0.462 5.545 226 HD11 LEU 34 1HD1 LEU 34 -4.626 -1.692 6.521 227 HD12 LEU 34 2HD1 LEU 34 -4.950 -2.078 4.813 228 HD13 LEU 34 3HD1 LEU 34 -4.865 -0.380 5.342 229 HD21 LEU 34 1HD2 LEU 34 -6.701 -3.364 5.028 230 HD22 LEU 34 2HD2 LEU 34 -8.246 -2.864 5.757 231 HD23 LEU 34 3HD2 LEU 34 -7.729 -2.168 4.203 232 H LYS 35 H LYS 35 -4.536 -0.961 9.510 233 HA LYS 35 HA LYS 35 -2.891 1.159 8.376 234 HB2 LYS 35 1HB LYS 35 -3.085 0.605 10.894 235 HB3 LYS 35 2HB LYS 35 -2.077 -0.783 10.538 236 HG2 LYS 35 1HG LYS 35 -1.223 1.943 9.537 237 HG3 LYS 35 2HG LYS 35 -0.979 1.545 11.226 238 HD2 LYS 35 1HD LYS 35 -0.100 -0.476 9.166 239 HD3 LYS 35 2HD LYS 35 0.869 0.972 9.352 240 HE2 LYS 35 1HE LYS 35 1.820 0.126 11.229 241 HE3 LYS 35 2HE LYS 35 0.249 0.004 11.996 242 HZ1 LYS 35 1HZ LYS 35 1.254 -2.009 10.112 243 HZ2 LYS 35 2HZ LYS 35 1.464 -2.116 11.728 244 HZ3 LYS 35 3HZ LYS 35 -0.042 -2.134 11.097 245 H VAL 36 H VAL 36 -1.150 0.795 7.019 246 HA VAL 36 HA VAL 36 -0.865 -1.992 6.135 247 HB VAL 36 HB VAL 36 -0.597 0.636 4.675 248 HG11 VAL 36 1HG1 VAL 36 1.234 -1.065 4.133 249 HG12 VAL 36 2HG1 VAL 36 -0.062 -2.084 3.461 250 HG13 VAL 36 3HG1 VAL 36 0.255 -0.475 2.769 251 HG21 VAL 36 1HG2 VAL 36 -2.534 0.116 3.587 252 HG22 VAL 36 2HG2 VAL 36 -2.244 -1.638 3.671 253 HG23 VAL 36 3HG2 VAL 36 -2.843 -0.765 5.102 254 H SER 37 H SER 37 1.191 -2.905 6.044 255 HA SER 37 HA SER 37 3.396 -1.146 6.686 256 HB2 SER 37 1HB SER 37 4.059 -3.341 8.205 257 HB3 SER 37 2HB SER 37 3.353 -1.870 8.844 258 HG SER 37 HG SER 37 2.199 -3.818 9.502 259 H TRP 38 H TRP 38 5.521 -2.105 6.103 260 HA TRP 38 HA TRP 38 5.483 -4.626 4.707 261 HB2 TRP 38 1HB TRP 38 6.368 -3.666 2.608 262 HB3 TRP 38 2HB TRP 38 4.683 -3.293 2.914 263 HD1 TRP 38 HD TRP 38 8.108 -1.571 2.662 264 HE1 TRP 38 1HE TRP 38 7.860 1.052 2.514 265 HE3 TRP 38 3HE TRP 38 3.120 -1.462 3.642 266 HZ2 TRP 38 2HZ TRP 38 5.655 2.838 2.817 267 HZ3 TRP 38 3HZ TRP 38 1.996 0.762 3.697 268 HH2 TRP 38 HH TRP 38 3.181 2.864 3.304 269 H GLN 39 H GLN 39 7.984 -4.338 3.418 270 HA GLN 39 HA GLN 39 9.723 -3.286 5.482 271 HB2 GLN 39 1HB GLN 39 9.329 -6.141 4.835 272 HB3 GLN 39 2HB GLN 39 11.009 -5.651 4.747 273 HG2 GLN 39 1HG GLN 39 9.595 -4.561 7.115 274 HG3 GLN 39 2HG GLN 39 9.641 -6.312 7.083 275 HE21 GLN 39 1HE2 GLN 39 11.721 -7.356 6.721 276 HE22 GLN 39 2HE2 GLN 39 13.166 -6.640 7.353 277 H GLU 40 H GLU 40 12.189 -3.751 4.566 278 HA GLU 40 HA GLU 40 12.174 -2.337 2.093 279 HB2 GLU 40 1HB GLU 40 13.967 -2.687 4.312 280 HB3 GLU 40 2HB GLU 40 14.826 -3.174 2.864 281 HG2 GLU 40 1HG GLU 40 14.474 -1.042 1.802 282 HG3 GLU 40 2HG GLU 40 13.237 -0.580 2.955 283 HA PRO 41 HA PRO 41 12.718 -5.867 -0.393 284 HB2 PRO 41 1HB PRO 41 13.381 -4.657 -2.752 285 HB3 PRO 41 2HB PRO 41 11.729 -4.832 -2.196 286 HG2 PRO 41 1HG PRO 41 13.429 -2.414 -2.222 287 HG3 PRO 41 2HG PRO 41 11.686 -2.529 -2.080 288 HD2 PRO 41 1HD PRO 41 13.550 -2.002 0.036 289 HD3 PRO 41 2HD PRO 41 11.820 -2.232 0.196 290 H GLY 42 H GLY 42 14.229 -7.329 -1.229 291 HA2 GLY 42 1HA GLY 42 16.837 -6.914 -0.181 292 HA3 GLY 42 2HA GLY 42 16.290 -8.241 -1.187 293 H GLU 43 H GLU 43 15.317 -5.588 -2.915 294 HA GLU 43 HA GLU 43 17.689 -5.758 -4.550 295 HB2 GLU 43 1HB GLU 43 14.832 -4.914 -4.985 296 HB3 GLU 43 2HB GLU 43 16.053 -4.247 -6.050 297 HG2 GLU 43 1HG GLU 43 16.085 -7.222 -5.534 298 HG3 GLU 43 2HG GLU 43 14.848 -6.581 -6.597 299 H LYS 44 H LYS 44 15.495 -2.923 -4.311 300 HA LYS 44 HA LYS 44 15.848 -0.886 -3.423 301 HB2 LYS 44 1HB LYS 44 18.721 -1.639 -2.834 302 HB3 LYS 44 2HB LYS 44 17.822 -0.276 -2.198 303 HG2 LYS 44 1HG LYS 44 16.388 -2.783 -1.699 304 HG3 LYS 44 2HG LYS 44 18.019 -2.868 -1.065 305 HD2 LYS 44 1HD LYS 44 17.469 -0.447 -0.105 306 HD3 LYS 44 2HD LYS 44 15.802 -0.938 -0.335 307 HE2 LYS 44 1HE LYS 44 16.374 -1.558 1.921 308 HE3 LYS 44 2HE LYS 44 16.325 -3.052 1.007 309 HZ1 LYS 44 1HZ LYS 44 18.291 -3.062 2.246 310 HZ2 LYS 44 2HZ LYS 44 18.765 -2.756 0.713 311 HZ3 LYS 44 3HZ LYS 44 18.709 -1.545 1.807 312 H ASN 45 H ASN 45 18.244 -2.444 -5.569 313 HA ASN 45 HA ASN 45 19.423 -1.663 -7.244 314 HB2 ASN 45 1HB ASN 45 16.573 -0.867 -7.690 315 HB3 ASN 45 2HB ASN 45 17.723 -0.060 -8.737 316 HD21 ASN 45 1HD2 ASN 45 16.421 -3.132 -7.686 317 HD22 ASN 45 2HD2 ASN 45 16.946 -4.095 -9.027 318 H GLY 46 H GLY 46 19.517 0.050 -4.797 319 HA2 GLY 46 1HA GLY 46 21.104 2.022 -5.154 320 HA3 GLY 46 2HA GLY 46 19.725 2.757 -5.948 321 H ILE 47 H ILE 47 20.556 4.223 -3.903 322 HA ILE 47 HA ILE 47 19.522 3.388 -1.390 323 HB ILE 47 HB ILE 47 20.622 5.963 -2.486 324 HG12 ILE 47 1HG1 ILE 47 22.332 4.376 -2.130 325 HG13 ILE 47 2HG1 ILE 47 22.390 5.458 -0.753 326 HG21 ILE 47 1HG2 ILE 47 19.038 5.535 -0.031 327 HG22 ILE 47 2HG2 ILE 47 20.582 6.390 0.195 328 HG23 ILE 47 3HG2 ILE 47 19.373 7.024 -0.947 329 HD11 ILE 47 1HD1 ILE 47 22.501 3.366 0.296 330 HD12 ILE 47 2HD1 ILE 47 20.752 3.693 0.361 331 HD13 ILE 47 3HD1 ILE 47 21.408 2.603 -0.884 332 H LEU 48 H LEU 48 17.385 3.129 -1.022 333 HA LEU 48 HA LEU 48 15.369 4.082 -2.608 334 HB2 LEU 48 1HB LEU 48 15.185 3.575 0.362 335 HB3 LEU 48 2HB LEU 48 13.884 3.506 -0.810 336 HG LEU 48 HG LEU 48 16.257 1.626 -0.670 337 HD11 LEU 48 1HD1 LEU 48 13.541 1.574 0.484 338 HD12 LEU 48 2HD1 LEU 48 14.047 0.080 -0.341 339 HD13 LEU 48 3HD1 LEU 48 15.029 0.738 0.990 340 HD21 LEU 48 1HD2 LEU 48 15.800 1.610 -2.923 341 HD22 LEU 48 2HD2 LEU 48 14.705 0.333 -2.340 342 HD23 LEU 48 3HD2 LEU 48 14.070 1.958 -2.691 343 H THR 49 H THR 49 13.921 5.866 -2.518 344 HA THR 49 HA THR 49 14.984 8.137 -0.966 345 HB THR 49 HB THR 49 14.105 9.515 -2.897 346 HG1 THR 49 1HG THR 49 12.949 8.375 -4.425 347 HG21 THR 49 1HG2 THR 49 16.461 8.889 -3.120 348 HG22 THR 49 2HG2 THR 49 16.021 7.233 -3.599 349 HG23 THR 49 3HG2 THR 49 15.681 8.595 -4.692 350 H GLY 50 H GLY 50 12.325 5.996 -1.554 351 HA2 GLY 50 1HA GLY 50 10.825 6.839 0.586 352 HA3 GLY 50 2HA GLY 50 10.237 7.783 -0.768 353 H TYR 51 H TYR 51 8.202 6.473 -0.201 354 HA TYR 51 HA TYR 51 8.197 4.098 -1.904 355 HB2 TYR 51 1HB TYR 51 7.255 4.466 1.000 356 HB3 TYR 51 2HB TYR 51 6.640 3.157 0.010 357 HD1 TYR 51 1HD TYR 51 8.276 1.423 -0.886 358 HD2 TYR 51 2HD TYR 51 9.356 4.294 2.096 359 HE1 TYR 51 1HE TYR 51 10.270 -0.007 -0.222 360 HE2 TYR 51 2HE TYR 51 11.346 2.855 2.751 361 HH TYR 51 HH TYR 51 12.589 1.143 2.186 362 H ARG 52 H ARG 52 6.266 3.782 -3.041 363 HA ARG 52 HA ARG 52 4.353 5.938 -2.647 364 HB2 ARG 52 1HB ARG 52 5.657 5.616 -4.906 365 HB3 ARG 52 2HB ARG 52 4.595 4.247 -5.169 366 HG2 ARG 52 1HG ARG 52 2.735 6.124 -4.470 367 HG3 ARG 52 2HG ARG 52 3.955 7.175 -5.160 368 HD2 ARG 52 1HD ARG 52 2.959 4.687 -6.616 369 HD3 ARG 52 2HD ARG 52 2.165 6.240 -6.784 370 HE ARG 52 HE ARG 52 5.018 6.498 -7.221 371 HH11 ARG 52 2HH2 ARG 52 2.043 5.422 -8.761 372 HH12 ARG 52 1HH2 ARG 52 2.627 5.689 -10.369 373 HH21 ARG 52 2HH1 ARG 52 5.791 6.850 -9.343 374 HH22 ARG 52 1HH1 ARG 52 4.774 6.507 -10.703 375 H ILE 53 H ILE 53 2.672 5.143 -1.393 376 HA ILE 53 HA ILE 53 1.848 2.380 -1.825 377 HB ILE 53 HB ILE 53 2.348 3.081 0.446 378 HG12 ILE 53 1HG1 ILE 53 -0.557 2.456 -0.134 379 HG13 ILE 53 2HG1 ILE 53 0.738 1.319 0.183 380 HG21 ILE 53 1HG2 ILE 53 0.059 4.730 0.999 381 HG22 ILE 53 2HG2 ILE 53 1.786 5.060 1.272 382 HG23 ILE 53 3HG2 ILE 53 1.038 5.470 -0.291 383 HD11 ILE 53 1HD1 ILE 53 0.402 1.485 2.414 384 HD12 ILE 53 2HD1 ILE 53 0.619 3.250 2.350 385 HD13 ILE 53 3HD1 ILE 53 -0.992 2.542 2.083 386 H SER 54 H SER 54 -0.338 1.816 -2.325 387 HA SER 54 HA SER 54 -2.111 3.976 -2.957 388 HB2 SER 54 1HB SER 54 -2.110 2.193 -5.249 389 HB3 SER 54 2HB SER 54 -1.923 3.935 -5.210 390 HG SER 54 HG SER 54 0.195 2.009 -4.747 391 H TRP 55 H TRP 55 -3.948 3.300 -1.914 392 HA TRP 55 HA TRP 55 -4.477 0.422 -1.842 393 HB2 TRP 55 1HB TRP 55 -5.896 0.870 0.033 394 HB3 TRP 55 2HB TRP 55 -4.319 1.585 0.306 395 HD1 TRP 55 HD TRP 55 -7.851 2.787 -0.861 396 HE1 TRP 55 1HE TRP 55 -8.295 5.262 -0.060 397 HE3 TRP 55 3HE TRP 55 -3.253 3.508 1.186 398 HZ2 TRP 55 2HZ TRP 55 -6.710 7.200 1.309 399 HZ3 TRP 55 3HZ TRP 55 -2.782 5.720 2.234 400 HH2 TRP 55 HH TRP 55 -4.422 7.531 2.316 401 H GLU 56 H GLU 56 -6.577 -0.369 -2.492 402 HA GLU 56 HA GLU 56 -8.519 1.409 -3.472 403 HB2 GLU 56 1HB GLU 56 -8.391 1.003 -5.836 404 HB3 GLU 56 2HB GLU 56 -6.786 1.490 -5.330 405 HG2 GLU 56 1HG GLU 56 -6.134 -0.946 -5.170 406 HG3 GLU 56 2HG GLU 56 -7.722 -1.386 -5.767 407 H GLU 57 H GLU 57 -10.476 0.229 -4.229 408 HA GLU 57 HA GLU 57 -10.964 -1.984 -2.688 409 HB2 GLU 57 1HB GLU 57 -12.356 -0.450 -4.783 410 HB3 GLU 57 2HB GLU 57 -12.818 -2.140 -4.784 411 HG2 GLU 57 1HG GLU 57 -12.955 -1.755 -2.128 412 HG3 GLU 57 2HG GLU 57 -13.154 -0.080 -2.603 413 H TYR 58 H TYR 58 -11.860 -4.170 -3.693 414 HA TYR 58 HA TYR 58 -9.810 -5.666 -4.594 415 HB2 TYR 58 1HB TYR 58 -11.958 -6.605 -3.869 416 HB3 TYR 58 2HB TYR 58 -12.841 -5.681 -5.068 417 HD1 TYR 58 2HD TYR 58 -9.939 -8.073 -5.197 418 HD2 TYR 58 1HD TYR 58 -13.814 -7.026 -6.678 419 HE1 TYR 58 2HE TYR 58 -9.878 -10.060 -6.781 420 HE2 TYR 58 1HE TYR 58 -13.740 -9.017 -8.257 421 HH TYR 58 HH TYR 58 -11.016 -10.571 -9.070 422 H ASN 59 H ASN 59 -12.439 -4.398 -6.773 423 HA ASN 59 HA ASN 59 -10.394 -4.209 -8.828 424 HB2 ASN 59 1HB ASN 59 -11.933 -6.319 -9.015 425 HB3 ASN 59 2HB ASN 59 -13.222 -5.201 -9.413 426 HD21 ASN 59 1HD2 ASN 59 -12.640 -7.036 -11.223 427 HD22 ASN 59 2HD2 ASN 59 -11.802 -6.388 -12.593 428 H ARG 60 H ARG 60 -11.102 -1.993 -7.393 429 HA ARG 60 HA ARG 60 -12.847 -0.612 -9.247 430 HB2 ARG 60 1HB ARG 60 -13.310 -1.048 -6.360 431 HB3 ARG 60 2HB ARG 60 -13.325 0.654 -6.775 432 HG2 ARG 60 1HG ARG 60 -15.020 0.245 -8.537 433 HG3 ARG 60 2HG ARG 60 -14.959 -1.479 -8.229 434 HD2 ARG 60 1HD ARG 60 -16.091 -1.301 -6.176 435 HD3 ARG 60 2HD ARG 60 -15.559 0.345 -5.899 436 HE ARG 60 HE ARG 60 -17.148 0.533 -8.179 437 HH11 ARG 60 2HH2 ARG 60 -17.628 -0.686 -4.913 438 HH12 ARG 60 1HH2 ARG 60 -19.323 -0.331 -4.893 439 HH21 ARG 60 2HH1 ARG 60 -19.385 1.000 -8.153 440 HH22 ARG 60 1HH1 ARG 60 -20.329 0.634 -6.748 441 H THR 61 H THR 61 -10.886 0.297 -10.169 442 HA THR 61 HA THR 61 -8.864 1.486 -8.640 443 HB THR 61 HB THR 61 -9.815 1.954 -11.515 444 HG1 THR 61 1HG THR 61 -9.184 -0.240 -11.027 445 HG21 THR 61 1HG2 THR 61 -8.228 3.697 -11.146 446 HG22 THR 61 2HG2 THR 61 -7.295 2.718 -9.990 447 HG23 THR 61 3HG2 THR 61 -7.218 2.352 -11.730 448 H ASN 62 H ASN 62 -12.116 2.510 -9.308 449 HA ASN 62 HA ASN 62 -11.761 5.232 -9.329 450 HB2 ASN 62 1HB ASN 62 -14.163 5.190 -8.269 451 HB3 ASN 62 2HB ASN 62 -13.951 4.457 -9.846 452 HD21 ASN 62 1HD2 ASN 62 -15.671 4.039 -7.306 453 HD22 ASN 62 2HD2 ASN 62 -15.671 2.323 -7.067 454 H THR 63 H THR 63 -11.184 2.888 -6.851 455 HA THR 63 HA THR 63 -11.333 4.956 -4.757 456 HB THR 63 HB THR 63 -11.738 3.115 -3.208 457 HG1 THR 63 1HG THR 63 -11.430 1.433 -5.586 458 HG21 THR 63 1HG2 THR 63 -13.423 3.448 -5.564 459 HG22 THR 63 2HG2 THR 63 -13.400 1.733 -5.087 460 HG23 THR 63 3HG2 THR 63 -13.906 2.976 -3.917 461 H ARG 64 H ARG 64 -9.178 4.528 -6.809 462 HA ARG 64 HA ARG 64 -7.084 3.446 -5.166 463 HB2 ARG 64 1HB ARG 64 -6.989 2.823 -7.507 464 HB3 ARG 64 2HB ARG 64 -7.203 4.481 -8.034 465 HG2 ARG 64 1HG ARG 64 -4.957 4.764 -8.057 466 HG3 ARG 64 2HG ARG 64 -4.903 4.473 -6.329 467 HD2 ARG 64 1HD ARG 64 -4.090 2.347 -6.592 468 HD3 ARG 64 2HD ARG 64 -5.223 1.973 -7.876 469 HE ARG 64 HE ARG 64 -3.513 3.674 -9.161 470 HH11 ARG 64 2HH2 ARG 64 -2.915 0.879 -7.109 471 HH12 ARG 64 1HH2 ARG 64 -1.427 0.462 -7.892 472 HH21 ARG 64 2HH1 ARG 64 -1.550 3.125 -10.194 473 HH22 ARG 64 1HH1 ARG 64 -0.646 1.748 -9.659 474 H VAL 65 H VAL 65 -5.473 4.694 -4.155 475 HA VAL 65 HA VAL 65 -5.648 7.593 -4.605 476 HB VAL 65 HB VAL 65 -6.671 6.797 -2.467 477 HG11 VAL 65 1HG1 VAL 65 -3.943 5.638 -2.150 478 HG12 VAL 65 2HG1 VAL 65 -4.694 6.357 -0.705 479 HG13 VAL 65 3HG1 VAL 65 -5.519 5.042 -1.577 480 HG21 VAL 65 1HG2 VAL 65 -4.250 8.430 -1.765 481 HG22 VAL 65 2HG2 VAL 65 -5.425 9.068 -2.940 482 HG23 VAL 65 3HG2 VAL 65 -5.952 8.651 -1.291 483 H THR 66 H THR 66 -3.582 8.758 -4.108 484 HA THR 66 HA THR 66 -1.257 6.991 -4.480 485 HB THR 66 HB THR 66 -1.815 9.680 -5.840 486 HG1 THR 66 1HG THR 66 -2.809 8.315 -7.267 487 HG21 THR 66 1HG2 THR 66 0.215 9.398 -6.982 488 HG22 THR 66 2HG2 THR 66 0.660 8.696 -5.408 489 HG23 THR 66 3HG2 THR 66 0.207 7.632 -6.761 490 H HIS 67 H HIS 67 -0.066 7.043 -2.684 491 HA HIS 67 HA HIS 67 0.234 9.673 -1.426 492 HB2 HIS 67 1HB HIS 67 -0.510 7.052 -0.279 493 HB3 HIS 67 2HB HIS 67 0.736 7.911 0.605 494 HD1 HIS 67 1HD HIS 67 -0.424 10.843 0.049 495 HD2 HIS 67 2HD HIS 67 -2.585 7.553 1.500 496 HE1 HIS 67 1HE HIS 67 -2.431 11.801 1.299 497 H TYR 68 H TYR 68 2.347 10.012 -0.336 498 HA TYR 68 HA TYR 68 4.435 8.252 -1.420 499 HB2 TYR 68 1HB TYR 68 4.271 11.325 -1.226 500 HB3 TYR 68 2HB TYR 68 5.707 10.464 -1.743 501 HD1 TYR 68 1HD TYR 68 5.383 8.851 -3.815 502 HD2 TYR 68 2HD TYR 68 2.756 12.081 -2.830 503 HE1 TYR 68 1HE TYR 68 4.546 8.912 -6.216 504 HE2 TYR 68 2HE TYR 68 1.928 12.131 -5.234 505 HH TYR 68 HH TYR 68 2.635 11.500 -7.392 506 H LEU 69 H LEU 69 5.929 7.599 0.067 507 HA LEU 69 HA LEU 69 6.039 9.138 2.564 508 HB2 LEU 69 1HB LEU 69 6.330 6.152 2.486 509 HB3 LEU 69 2HB LEU 69 6.039 7.198 3.862 510 HG LEU 69 HG LEU 69 3.984 6.936 1.673 511 HD11 LEU 69 1HD1 LEU 69 4.812 4.869 3.586 512 HD12 LEU 69 2HD1 LEU 69 3.075 5.250 3.636 513 HD13 LEU 69 3HD1 LEU 69 3.831 4.747 2.105 514 HD21 LEU 69 1HD2 LEU 69 3.988 7.843 4.545 515 HD22 LEU 69 2HD2 LEU 69 3.429 8.701 3.089 516 HD23 LEU 69 3HD2 LEU 69 2.487 7.335 3.734 517 HA PRO 70 HA PRO 70 10.314 9.040 1.998 518 HB2 PRO 70 1HB PRO 70 11.286 9.055 4.552 519 HB3 PRO 70 2HB PRO 70 10.679 10.490 3.749 520 HG2 PRO 70 1HG PRO 70 9.396 8.864 5.858 521 HG3 PRO 70 2HG PRO 70 9.022 10.500 5.353 522 HD2 PRO 70 1HD PRO 70 7.550 8.124 4.706 523 HD3 PRO 70 2HD PRO 70 7.244 9.742 4.107 524 H ASN 71 H ASN 71 12.506 7.969 2.736 525 HA ASN 71 HA ASN 71 11.954 5.198 2.307 526 HB2 ASN 71 1HB ASN 71 14.460 5.019 2.145 527 HB3 ASN 71 2HB ASN 71 13.820 6.261 1.087 528 HD21 ASN 71 1HD2 ASN 71 16.476 6.001 2.159 529 HD22 ASN 71 2HD2 ASN 71 16.827 7.424 3.083 530 H VAL 72 H VAL 72 11.421 6.785 4.955 531 HA VAL 72 HA VAL 72 13.063 5.099 6.715 532 HB VAL 72 HB VAL 72 12.819 6.788 8.395 533 HG11 VAL 72 1HG1 VAL 72 13.630 7.950 5.711 534 HG12 VAL 72 2HG1 VAL 72 13.970 8.712 7.283 535 HG13 VAL 72 3HG1 VAL 72 14.675 7.125 6.893 536 HG21 VAL 72 1HG2 VAL 72 10.454 7.442 7.430 537 HG22 VAL 72 2HG2 VAL 72 11.433 8.633 8.321 538 HG23 VAL 72 3HG2 VAL 72 11.390 8.668 6.541 539 H THR 73 H THR 73 9.883 5.900 5.512 540 HA THR 73 HA THR 73 8.654 4.377 7.707 541 HB THR 73 HB THR 73 7.658 6.474 5.726 542 HG1 THR 73 1HG THR 73 7.652 6.011 8.627 543 HG21 THR 73 1HG2 THR 73 5.934 4.603 5.987 544 HG22 THR 73 2HG2 THR 73 5.987 4.889 7.743 545 HG23 THR 73 3HG2 THR 73 5.410 6.170 6.649 546 H LEU 74 H LEU 74 7.365 2.573 7.323 547 HA LEU 74 HA LEU 74 7.277 1.653 4.553 548 HB2 LEU 74 1HB LEU 74 8.053 -0.252 6.732 549 HB3 LEU 74 2HB LEU 74 8.214 -0.425 4.996 550 HG LEU 74 HG LEU 74 9.772 1.774 6.258 551 HD11 LEU 74 1HD1 LEU 74 11.031 -0.918 6.420 552 HD12 LEU 74 2HD1 LEU 74 11.278 0.534 7.420 553 HD13 LEU 74 3HD1 LEU 74 9.842 -0.488 7.673 554 HD21 LEU 74 1HD2 LEU 74 9.674 0.518 3.766 555 HD22 LEU 74 2HD2 LEU 74 10.883 1.694 4.335 556 HD23 LEU 74 3HD2 LEU 74 11.190 -0.051 4.506 557 H GLU 75 H GLU 75 5.526 2.768 6.953 558 HA GLU 75 HA GLU 75 3.401 0.894 6.399 559 HB2 GLU 75 1HB GLU 75 2.756 0.675 8.749 560 HB3 GLU 75 2HB GLU 75 4.408 0.128 8.545 561 HG2 GLU 75 1HG GLU 75 4.214 3.026 9.136 562 HG3 GLU 75 2HG GLU 75 3.541 2.022 10.405 563 H TYR 76 H TYR 76 1.245 1.835 6.709 564 HA TYR 76 HA TYR 76 1.082 4.596 7.498 565 HB2 TYR 76 1HB TYR 76 1.884 4.634 5.091 566 HB3 TYR 76 2HB TYR 76 0.576 3.560 4.639 567 HD1 TYR 76 2HD TYR 76 -1.748 4.381 4.520 568 HD2 TYR 76 1HD TYR 76 1.493 7.004 5.481 569 HE1 TYR 76 2HE TYR 76 -3.226 6.394 4.046 570 HE2 TYR 76 1HE TYR 76 0.003 9.008 5.003 571 HH TYR 76 HH TYR 76 -1.900 9.627 3.970 572 H ARG 77 H ARG 77 -1.153 5.336 7.680 573 HA ARG 77 HA ARG 77 -2.883 3.067 8.072 574 HB2 ARG 77 1HB ARG 77 -2.603 4.773 9.893 575 HB3 ARG 77 2HB ARG 77 -3.243 6.011 8.831 576 HG2 ARG 77 1HG ARG 77 -5.389 5.399 9.266 577 HG3 ARG 77 2HG ARG 77 -5.054 3.718 8.904 578 HD2 ARG 77 1HD ARG 77 -5.810 4.139 11.294 579 HD3 ARG 77 2HD ARG 77 -4.288 3.281 11.164 580 HE ARG 77 HE ARG 77 -3.203 5.107 12.145 581 HH11 ARG 77 2HH2 ARG 77 -6.347 6.146 10.954 582 HH12 ARG 77 1HH2 ARG 77 -6.237 7.723 11.663 583 HH21 ARG 77 2HH1 ARG 77 -3.057 7.187 13.081 584 HH22 ARG 77 1HH1 ARG 77 -4.353 8.319 12.881 585 H VAL 78 H VAL 78 -4.557 2.587 6.667 586 HA VAL 78 HA VAL 78 -5.064 4.516 4.537 587 HB VAL 78 HB VAL 78 -5.742 1.585 4.848 588 HG11 VAL 78 1HG1 VAL 78 -6.116 1.945 2.255 589 HG12 VAL 78 2HG1 VAL 78 -7.419 2.268 3.424 590 HG13 VAL 78 3HG1 VAL 78 -6.462 3.616 2.762 591 HG21 VAL 78 1HG2 VAL 78 -3.597 3.053 3.295 592 HG22 VAL 78 2HG2 VAL 78 -3.397 1.787 4.529 593 HG23 VAL 78 3HG2 VAL 78 -4.078 1.378 2.936 594 H THR 79 H THR 79 -7.200 5.220 4.016 595 HA THR 79 HA THR 79 -9.371 4.426 5.741 596 HB THR 79 HB THR 79 -9.723 6.747 6.600 597 HG1 THR 79 1HG THR 79 -8.632 7.879 4.884 598 HG21 THR 79 1HG2 THR 79 -7.865 6.891 8.163 599 HG22 THR 79 2HG2 THR 79 -8.164 5.157 7.896 600 HG23 THR 79 3HG2 THR 79 -6.806 5.962 7.075 601 H GLY 80 H GLY 80 -11.426 4.996 4.924 602 HA2 GLY 80 1HA GLY 80 -12.799 6.126 3.386 603 HA3 GLY 80 2HA GLY 80 -11.422 6.390 2.335 604 H LEU 81 H LEU 81 -11.890 3.236 3.902 605 HA LEU 81 HA LEU 81 -12.240 2.069 1.267 606 HB2 LEU 81 1HB LEU 81 -11.987 0.501 3.802 607 HB3 LEU 81 2HB LEU 81 -11.483 0.085 2.176 608 HG LEU 81 HG LEU 81 -10.133 2.377 3.560 609 HD11 LEU 81 1HD1 LEU 81 -9.230 1.175 5.189 610 HD12 LEU 81 2HD1 LEU 81 -10.286 -0.185 4.738 611 HD13 LEU 81 3HD1 LEU 81 -8.661 -0.046 4.026 612 HD21 LEU 81 1HD2 LEU 81 -8.823 2.286 1.776 613 HD22 LEU 81 2HD2 LEU 81 -8.385 0.603 2.158 614 HD23 LEU 81 3HD2 LEU 81 -9.798 0.944 1.131 615 H THR 82 H THR 82 -13.583 -0.344 2.415 616 HA THR 82 HA THR 82 -16.201 0.773 3.110 617 HB THR 82 HB THR 82 -15.715 -1.268 0.880 618 HG1 THR 82 1HG THR 82 -16.505 1.557 0.853 619 HG21 THR 82 1HG2 THR 82 -18.054 -0.670 0.259 620 HG22 THR 82 2HG2 THR 82 -18.005 -1.336 1.910 621 HG23 THR 82 3HG2 THR 82 -18.151 0.421 1.662 622 H ALA 83 H ALA 83 -17.456 -0.494 4.454 623 HA ALA 83 HA ALA 83 -16.064 -2.307 6.065 624 HB1 ALA 83 1HB ALA 83 -18.068 -0.884 6.670 625 HB2 ALA 83 2HB ALA 83 -19.076 -2.023 5.744 626 HB3 ALA 83 3HB ALA 83 -18.185 -2.586 7.179 627 H LEU 84 H LEU 84 -16.079 -4.581 6.187 628 HA LEU 84 HA LEU 84 -15.827 -6.548 5.140 629 HB2 LEU 84 1HB LEU 84 -18.797 -6.137 4.770 630 HB3 LEU 84 2HB LEU 84 -17.957 -7.674 4.790 631 HG LEU 84 HG LEU 84 -18.465 -5.782 7.081 632 HD11 LEU 84 1HD1 LEU 84 -20.065 -7.673 6.288 633 HD12 LEU 84 2HD1 LEU 84 -18.893 -8.756 7.077 634 HD13 LEU 84 3HD1 LEU 84 -19.711 -7.489 8.022 635 HD21 LEU 84 1HD2 LEU 84 -17.069 -7.378 8.468 636 HD22 LEU 84 2HD2 LEU 84 -16.397 -7.982 6.934 637 HD23 LEU 84 3HD2 LEU 84 -16.174 -6.277 7.394 638 H THR 85 H THR 85 -14.631 -5.077 3.412 639 HA THR 85 HA THR 85 -15.699 -5.954 0.842 640 HB THR 85 HB THR 85 -15.120 -3.079 1.686 641 HG1 THR 85 1HG THR 85 -17.285 -2.940 0.801 642 HG21 THR 85 1HG2 THR 85 -14.588 -2.478 -0.459 643 HG22 THR 85 2HG2 THR 85 -14.311 -4.205 -0.787 644 HG23 THR 85 3HG2 THR 85 -15.903 -3.481 -1.118 645 H THR 86 H THR 86 -14.147 -6.494 -0.670 646 HA THR 86 HA THR 86 -11.522 -6.904 0.438 647 HB THR 86 HB THR 86 -12.773 -7.512 -2.294 648 HG1 THR 86 1HG THR 86 -13.713 -8.549 -0.356 649 HG21 THR 86 1HG2 THR 86 -10.960 -9.090 -2.598 650 HG22 THR 86 2HG2 THR 86 -10.188 -7.547 -2.160 651 HG23 THR 86 3HG2 THR 86 -10.371 -8.829 -0.939 652 H TYR 87 H TYR 87 -9.652 -5.832 0.040 653 HA TYR 87 HA TYR 87 -9.740 -3.753 -2.022 654 HB2 TYR 87 1HB TYR 87 -9.206 -3.642 0.981 655 HB3 TYR 87 2HB TYR 87 -8.306 -2.544 -0.046 656 HD1 TYR 87 1HD TYR 87 -11.684 -3.457 1.151 657 HD2 TYR 87 2HD TYR 87 -9.364 -0.629 -1.067 658 HE1 TYR 87 1HE TYR 87 -13.638 -1.831 1.166 659 HE2 TYR 87 2HE TYR 87 -11.326 0.988 -1.044 660 HH TYR 87 HH TYR 87 -14.081 0.469 -0.804 661 H THR 88 H THR 88 -7.496 -2.909 -2.529 662 HA THR 88 HA THR 88 -5.445 -4.931 -1.937 663 HB THR 88 HB THR 88 -6.540 -3.961 -4.581 664 HG1 THR 88 1HG THR 88 -5.328 -6.345 -3.373 665 HG21 THR 88 1HG2 THR 88 -4.402 -4.841 -5.644 666 HG22 THR 88 2HG2 THR 88 -4.184 -3.289 -4.801 667 HG23 THR 88 3HG2 THR 88 -3.646 -4.801 -4.033 668 H ILE 89 H ILE 89 -3.637 -4.107 -1.098 669 HA ILE 89 HA ILE 89 -3.262 -1.215 -1.436 670 HB ILE 89 HB ILE 89 -2.108 -2.934 0.750 671 HG12 ILE 89 1HG1 ILE 89 -4.393 -3.281 1.097 672 HG13 ILE 89 2HG1 ILE 89 -4.000 -1.938 2.152 673 HG21 ILE 89 1HG2 ILE 89 -1.113 -0.677 0.219 674 HG22 ILE 89 2HG2 ILE 89 -2.666 0.038 0.714 675 HG23 ILE 89 3HG2 ILE 89 -1.700 -0.891 1.886 676 HD11 ILE 89 1HD1 ILE 89 -4.647 -0.636 -0.220 677 HD12 ILE 89 2HD1 ILE 89 -5.773 -2.014 -0.210 678 HD13 ILE 89 3HD1 ILE 89 -5.750 -0.874 1.156 679 H GLU 90 H GLU 90 -1.715 -0.659 -2.863 680 HA GLU 90 HA GLU 90 0.320 -2.654 -3.408 681 HB2 GLU 90 1HB GLU 90 -0.678 -0.230 -4.949 682 HB3 GLU 90 2HB GLU 90 0.792 -1.069 -5.403 683 HG2 GLU 90 1HG GLU 90 -0.395 -3.136 -5.821 684 HG3 GLU 90 2HG GLU 90 -1.845 -2.548 -5.033 685 H VAL 91 H VAL 91 2.342 -2.415 -2.558 686 HA VAL 91 HA VAL 91 3.096 0.299 -1.714 687 HB VAL 91 HB VAL 91 3.734 -2.395 -0.499 688 HG11 VAL 91 1HG1 VAL 91 5.401 -1.508 0.742 689 HG12 VAL 91 2HG1 VAL 91 5.484 -0.304 -0.567 690 HG13 VAL 91 3HG1 VAL 91 4.577 0.059 0.921 691 HG21 VAL 91 1HG2 VAL 91 2.189 -0.010 0.576 692 HG22 VAL 91 2HG2 VAL 91 1.499 -1.564 0.048 693 HG23 VAL 91 3HG2 VAL 91 2.560 -1.501 1.475 694 H ALA 92 H ALA 92 4.662 1.165 -2.962 695 HA ALA 92 HA ALA 92 6.584 -0.714 -4.156 696 HB1 ALA 92 1HB ALA 92 5.795 0.012 -6.137 697 HB2 ALA 92 2HB ALA 92 4.819 1.282 -5.361 698 HB3 ALA 92 3HB ALA 92 6.528 1.587 -5.752 699 H ALA 93 H ALA 93 8.778 0.151 -4.432 700 HA ALA 93 HA ALA 93 9.337 2.176 -2.384 701 HB1 ALA 93 1HB ALA 93 11.286 0.205 -3.620 702 HB2 ALA 93 2HB ALA 93 11.448 1.113 -2.097 703 HB3 ALA 93 3HB ALA 93 10.267 -0.212 -2.222 704 H MET 94 H MET 94 10.250 4.110 -2.958 705 HA MET 94 HA MET 94 10.784 4.412 -5.799 706 HB2 MET 94 1HB MET 94 10.434 6.570 -3.648 707 HB3 MET 94 2HB MET 94 10.403 6.821 -5.383 708 HG2 MET 94 1HG MET 94 8.289 5.745 -5.632 709 HG3 MET 94 2HG MET 94 8.422 4.912 -4.096 710 HE1 MET 94 1HE MET 94 8.258 7.967 -6.005 711 HE2 MET 94 2HE MET 94 6.682 8.554 -5.420 712 HE3 MET 94 3HE MET 94 8.186 9.303 -4.832 713 H THR 95 H THR 95 12.774 5.198 -6.577 714 HA THR 95 HA THR 95 14.852 5.562 -4.519 715 HB THR 95 HB THR 95 16.316 4.576 -6.493 716 HG1 THR 95 1HG THR 95 14.695 4.496 -8.107 717 HG21 THR 95 1HG2 THR 95 16.182 3.074 -4.675 718 HG22 THR 95 2HG2 THR 95 14.402 3.065 -4.692 719 HG23 THR 95 3HG2 THR 95 15.309 2.167 -5.933 720 H SER 96 H SER 96 16.922 6.375 -6.215 721 HA SER 96 HA SER 96 16.116 9.062 -6.565 722 HB2 SER 96 1HB SER 96 18.712 7.570 -7.112 723 HB3 SER 96 2HB SER 96 18.534 9.283 -7.433 724 HG SER 96 HG SER 96 18.227 9.704 -5.238 725 H LYS 97 H LYS 97 15.619 6.340 -8.433 726 HA LYS 97 HA LYS 97 15.996 7.777 -10.958 727 HB2 LYS 97 1HB LYS 97 16.876 5.854 -11.643 728 HB3 LYS 97 2HB LYS 97 16.469 5.066 -10.132 729 HG2 LYS 97 1HG LYS 97 15.290 3.815 -11.781 730 HG3 LYS 97 2HG LYS 97 14.063 4.835 -11.055 731 HD2 LYS 97 1HD LYS 97 13.712 5.041 -13.409 732 HD3 LYS 97 2HD LYS 97 14.519 6.526 -12.946 733 HE2 LYS 97 1HE LYS 97 16.742 5.323 -13.566 734 HE3 LYS 97 2HE LYS 97 15.742 4.099 -14.323 735 HZ1 LYS 97 1HZ LYS 97 16.133 6.861 -15.094 736 HZ2 LYS 97 2HZ LYS 97 16.019 5.527 -16.029 737 HZ3 LYS 97 3HZ LYS 97 14.671 6.200 -15.399 738 H GLY 98 H GLY 98 13.628 5.893 -8.986 739 HA2 GLY 98 1HA GLY 98 11.457 7.506 -9.493 740 HA3 GLY 98 2HA GLY 98 11.463 6.331 -10.793 741 H GLN 99 H GLN 99 9.783 4.956 -10.257 742 HA GLN 99 HA GLN 99 9.908 3.835 -7.567 743 HB2 GLN 99 1HB GLN 99 7.826 5.078 -8.000 744 HB3 GLN 99 2HB GLN 99 7.529 4.142 -9.451 745 HG2 GLN 99 1HG GLN 99 7.642 2.049 -7.864 746 HG3 GLN 99 2HG GLN 99 7.441 3.205 -6.563 747 HE21 GLN 99 1HE2 GLN 99 5.996 1.606 -9.262 748 HE22 GLN 99 2HE2 GLN 99 4.363 2.144 -9.046 749 H GLY 100 H GLY 100 9.722 1.537 -7.307 750 HA2 GLY 100 1HA GLY 100 10.353 0.047 -9.772 751 HA3 GLY 100 2HA GLY 100 10.806 -0.403 -8.140 752 H GLN 101 H GLN 101 9.824 -2.524 -8.503 753 HA GLN 101 HA GLN 101 7.271 -2.941 -9.330 754 HB2 GLN 101 1HB GLN 101 9.361 -4.484 -8.281 755 HB3 GLN 101 2HB GLN 101 8.060 -4.742 -7.135 756 HG2 GLN 101 1HG GLN 101 6.835 -5.969 -8.622 757 HG3 GLN 101 2HG GLN 101 7.104 -4.827 -9.924 758 HE21 GLN 101 1HE2 GLN 101 8.008 -5.734 -11.592 759 HE22 GLN 101 2HE2 GLN 101 9.269 -6.922 -11.596 760 H VAL 102 H VAL 102 5.481 -3.975 -7.752 761 HA VAL 102 HA VAL 102 5.302 -2.423 -5.295 762 HB VAL 102 HB VAL 102 4.242 -1.259 -7.365 763 HG11 VAL 102 1HG1 VAL 102 2.214 -3.433 -6.769 764 HG12 VAL 102 2HG1 VAL 102 1.822 -1.933 -7.643 765 HG13 VAL 102 3HG1 VAL 102 3.011 -3.072 -8.319 766 HG21 VAL 102 1HG2 VAL 102 3.993 -0.565 -4.994 767 HG22 VAL 102 2HG2 VAL 102 2.525 -0.274 -5.958 768 HG23 VAL 102 3HG2 VAL 102 2.598 -1.660 -4.843 769 H SER 103 H SER 103 4.282 -3.543 -3.649 770 HA SER 103 HA SER 103 3.506 -6.238 -4.383 771 HB2 SER 103 1HB SER 103 4.631 -4.932 -1.940 772 HB3 SER 103 2HB SER 103 3.499 -6.237 -1.648 773 HG SER 103 HG SER 103 5.504 -7.219 -1.805 774 H ALA 104 H ALA 104 1.334 -6.296 -4.926 775 HA ALA 104 HA ALA 104 -0.502 -4.687 -3.322 776 HB1 ALA 104 1HB ALA 104 -1.710 -4.498 -5.223 777 HB2 ALA 104 2HB ALA 104 -0.274 -5.147 -6.051 778 HB3 ALA 104 3HB ALA 104 -1.593 -6.240 -5.570 779 H SER 105 H SER 105 -1.469 -5.631 -1.603 780 HA SER 105 HA SER 105 -1.839 -8.520 -1.779 781 HB2 SER 105 1HB SER 105 -0.712 -6.803 0.331 782 HB3 SER 105 2HB SER 105 -1.994 -7.831 0.939 783 HG SER 105 HG SER 105 -0.285 -9.226 -0.751 784 H THR 106 H THR 106 -3.943 -9.265 -1.603 785 HA THR 106 HA THR 106 -6.035 -7.306 -1.433 786 HB THR 106 HB THR 106 -6.584 -10.260 -1.383 787 HG1 THR 106 1HG THR 106 -4.989 -10.478 -2.909 788 HG21 THR 106 1HG2 THR 106 -7.661 -9.306 -3.684 789 HG22 THR 106 2HG2 THR 106 -8.498 -9.140 -2.122 790 HG23 THR 106 3HG2 THR 106 -7.564 -7.776 -2.781 791 H ILE 107 H ILE 107 -7.242 -6.702 0.266 792 HA ILE 107 HA ILE 107 -7.276 -8.449 2.592 793 HB ILE 107 HB ILE 107 -5.431 -7.123 3.157 794 HG12 ILE 107 1HG1 ILE 107 -6.374 -5.600 4.986 795 HG13 ILE 107 2HG1 ILE 107 -7.965 -6.081 4.433 796 HG21 ILE 107 1HG2 ILE 107 -5.227 -5.372 1.705 797 HG22 ILE 107 2HG2 ILE 107 -6.944 -4.917 1.828 798 HG23 ILE 107 3HG2 ILE 107 -5.817 -4.505 3.144 799 HD11 ILE 107 1HD1 ILE 107 -7.709 -8.291 5.139 800 HD12 ILE 107 2HD1 ILE 107 -5.938 -8.251 4.962 801 HD13 ILE 107 3HD1 ILE 107 -6.712 -7.449 6.350 802 H SER 108 H SER 108 -9.271 -8.509 3.547 803 HA SER 108 HA SER 108 -11.216 -6.704 2.370 804 HB2 SER 108 1HB SER 108 -12.035 -8.860 2.042 805 HB3 SER 108 2HB SER 108 -11.317 -9.479 3.516 806 HG SER 108 HG SER 108 -13.033 -8.832 4.696 807 H SER 109 H SER 109 -12.006 -5.028 3.594 808 HA SER 109 HA SER 109 -11.090 -4.215 5.909 809 HB2 SER 109 1HB SER 109 -13.411 -3.176 6.318 810 HB3 SER 109 2HB SER 109 -12.647 -2.819 4.782 811 HG SER 109 HG SER 109 -14.798 -3.400 4.356 812 H GLY 110 H GLY 110 -11.591 -4.419 8.188 813 HA2 GLY 110 1HA GLY 110 -12.106 -7.031 9.070 814 HA3 GLY 110 2HA GLY 110 -12.047 -5.583 10.055 815 H VAL 111 H VAL 111 -13.999 -4.349 10.460 816 HA VAL 111 HA VAL 111 -16.463 -4.946 9.319 817 HB VAL 111 HB VAL 111 -16.264 -7.118 10.324 818 HG11 VAL 111 1HG1 VAL 111 -16.019 -7.442 12.749 819 HG12 VAL 111 2HG1 VAL 111 -14.611 -6.599 12.060 820 HG13 VAL 111 3HG1 VAL 111 -15.838 -5.685 12.968 821 HG21 VAL 111 1HG2 VAL 111 -18.499 -6.373 10.325 822 HG22 VAL 111 2HG2 VAL 111 -18.231 -6.993 11.971 823 HG23 VAL 111 3HG2 VAL 111 -18.215 -5.239 11.668 824 HA PRO 112 HA PRO 112 -17.086 -1.280 11.532 825 HB2 PRO 112 1HB PRO 112 -19.750 -0.885 11.066 826 HB3 PRO 112 2HB PRO 112 -18.502 -0.466 9.909 827 HG2 PRO 112 1HG PRO 112 -20.378 -2.750 9.865 828 HG3 PRO 112 2HG PRO 112 -19.436 -2.078 8.549 829 HD2 PRO 112 1HD PRO 112 -18.876 -4.485 10.004 830 HD3 PRO 112 2HD PRO 112 -17.875 -3.751 8.768 831 HA PRO 113 HA PRO 113 -18.342 -2.627 15.393 832 HB2 PRO 113 1HB PRO 113 -17.475 -0.490 16.859 833 HB3 PRO 113 2HB PRO 113 -16.439 -1.833 16.418 834 HG2 PRO 113 1HG PRO 113 -16.515 0.898 15.289 835 HG3 PRO 113 2HG PRO 113 -15.243 -0.302 15.175 836 HD2 PRO 113 1HD PRO 113 -17.123 0.405 13.128 837 HD3 PRO 113 2HD PRO 113 -15.927 -0.873 13.056 838 H SER 114 H SER 114 -20.437 -2.040 13.916 839 HA SER 114 HA SER 114 -21.743 0.200 15.134 840 HB2 SER 114 1HB SER 114 -22.117 -1.494 12.757 841 HB3 SER 114 2HB SER 114 -23.632 -1.189 13.584 842 HG SER 114 HG SER 114 -21.988 1.080 13.312 843 H GLY 115 H GLY 115 -22.524 -3.333 14.672 844 HA2 GLY 115 1HA GLY 115 -23.157 -3.765 17.392 845 HA3 GLY 115 2HA GLY 115 -24.627 -3.444 16.493 846 HA PRO 116 HA PRO 116 -22.749 -7.340 14.563 847 HB2 PRO 116 1HB PRO 116 -20.368 -8.328 15.471 848 HB3 PRO 116 2HB PRO 116 -20.500 -7.280 14.073 849 HG2 PRO 116 1HG PRO 116 -19.538 -6.631 16.791 850 HG3 PRO 116 2HG PRO 116 -19.287 -5.748 15.298 851 HD2 PRO 116 1HD PRO 116 -21.121 -5.079 17.400 852 HD3 PRO 116 2HD PRO 116 -20.952 -4.264 15.858 853 H SER 117 H SER 117 -22.256 -9.780 15.195 854 HA SER 117 HA SER 117 -22.745 -10.279 17.926 855 HB2 SER 117 1HB SER 117 -24.971 -11.430 17.572 856 HB3 SER 117 2HB SER 117 -25.031 -9.683 17.448 857 HG SER 117 HG SER 117 -26.199 -10.799 15.720 858 H SER 118 H SER 118 -21.591 -12.140 18.275 859 HA SER 118 HA SER 118 -20.790 -13.690 16.056 860 HB2 SER 118 1HB SER 118 -20.466 -14.354 19.012 861 HB3 SER 118 2HB SER 118 -19.506 -14.976 17.685 862 HG SER 118 HG SER 118 -19.213 -12.625 19.098 863 H GLY 119 H GLY 119 -20.933 -16.259 16.331 864 HA2 GLY 119 1HA GLY 119 -22.290 -18.044 16.142 865 HA3 GLY 119 2HA GLY 119 -22.936 -17.543 17.691 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.298 -17.384 13.448 2 HA2 GLY 1 1HA GLY 1 0.881 -17.740 12.829 3 HA3 GLY 1 2HA GLY 1 0.643 -16.087 13.360 4 H SER 2 H SER 2 0.347 -17.378 10.632 5 HA SER 2 HA SER 2 1.403 -15.254 9.177 6 HB2 SER 2 1HB SER 2 3.539 -16.512 9.489 7 HB3 SER 2 2HB SER 2 2.815 -17.926 8.750 8 HG SER 2 HG SER 2 2.942 -15.383 7.384 9 H SER 3 H SER 3 0.419 -15.171 7.087 10 HA SER 3 HA SER 3 -1.238 -17.495 6.485 11 HB2 SER 3 1HB SER 3 -1.939 -14.538 6.355 12 HB3 SER 3 2HB SER 3 -2.864 -15.745 5.484 13 HG SER 3 HG SER 3 -3.953 -15.898 7.329 14 H GLY 4 H GLY 4 -0.884 -18.333 4.453 15 HA2 GLY 4 1HA GLY 4 0.644 -16.653 2.563 16 HA3 GLY 4 2HA GLY 4 0.702 -18.402 2.659 17 H SER 5 H SER 5 0.228 -18.107 0.242 18 HA SER 5 HA SER 5 -2.532 -18.614 -0.123 19 HB2 SER 5 1HB SER 5 -2.505 -16.109 -0.164 20 HB3 SER 5 2HB SER 5 -1.344 -16.151 -1.476 21 HG SER 5 HG SER 5 -3.845 -17.549 -1.719 22 H SER 6 H SER 6 -2.750 -20.061 -1.831 23 HA SER 6 HA SER 6 -0.377 -20.927 -3.066 24 HB2 SER 6 1HB SER 6 -2.429 -22.335 -2.442 25 HB3 SER 6 2HB SER 6 -3.231 -21.653 -3.843 26 HG SER 6 HG SER 6 -2.333 -23.500 -4.651 27 H GLY 7 H GLY 7 0.601 -19.686 -4.638 28 HA2 GLY 7 1HA GLY 7 -0.631 -19.250 -7.125 29 HA3 GLY 7 2HA GLY 7 -0.708 -17.764 -6.200 30 HA PRO 8 HA PRO 8 3.366 -17.642 -8.061 31 HB2 PRO 8 1HB PRO 8 3.354 -14.981 -8.683 32 HB3 PRO 8 2HB PRO 8 2.817 -16.227 -9.792 33 HG2 PRO 8 1HG PRO 8 1.194 -14.321 -8.220 34 HG3 PRO 8 2HG PRO 8 0.728 -15.263 -9.622 35 HD2 PRO 8 1HD PRO 8 0.043 -15.800 -6.889 36 HD3 PRO 8 2HD PRO 8 -0.324 -16.803 -8.279 37 H GLN 9 H GLN 9 5.307 -16.021 -7.687 38 HA GLN 9 HA GLN 9 5.102 -15.289 -4.874 39 HB2 GLN 9 1HB GLN 9 6.529 -17.462 -5.692 40 HB3 GLN 9 2HB GLN 9 7.758 -16.228 -5.885 41 HG2 GLN 9 1HG GLN 9 7.935 -15.845 -3.617 42 HG3 GLN 9 2HG GLN 9 6.218 -16.055 -3.336 43 HE21 GLN 9 1HE2 GLN 9 9.273 -17.696 -3.901 44 HE22 GLN 9 2HE2 GLN 9 8.862 -19.222 -3.193 45 H LEU 10 H LEU 10 7.614 -15.089 -7.500 46 HA LEU 10 HA LEU 10 7.240 -12.277 -7.772 47 HB2 LEU 10 1HB LEU 10 9.432 -11.592 -6.961 48 HB3 LEU 10 2HB LEU 10 8.403 -12.202 -5.680 49 HG LEU 10 HG LEU 10 10.345 -14.086 -6.966 50 HD11 LEU 10 1HD1 LEU 10 11.653 -12.958 -4.727 51 HD12 LEU 10 2HD1 LEU 10 12.148 -12.910 -6.436 52 HD13 LEU 10 3HD1 LEU 10 11.141 -11.605 -5.764 53 HD21 LEU 10 1HD2 LEU 10 8.539 -14.222 -4.836 54 HD22 LEU 10 2HD2 LEU 10 9.799 -15.404 -5.264 55 HD23 LEU 10 3HD2 LEU 10 10.146 -14.125 -4.076 56 H VAL 11 H VAL 11 8.835 -11.378 -9.404 57 HA VAL 11 HA VAL 11 9.890 -13.544 -11.082 58 HB VAL 11 HB VAL 11 7.745 -12.769 -11.959 59 HG11 VAL 11 1HG1 VAL 11 8.502 -10.270 -11.042 60 HG12 VAL 11 2HG1 VAL 11 8.657 -10.115 -12.808 61 HG13 VAL 11 3HG1 VAL 11 7.108 -10.622 -12.091 62 HG21 VAL 11 1HG2 VAL 11 9.408 -13.530 -13.549 63 HG22 VAL 11 2HG2 VAL 11 8.517 -12.154 -14.244 64 HG23 VAL 11 3HG2 VAL 11 10.157 -11.915 -13.594 65 H ARG 12 H ARG 12 11.983 -13.256 -11.722 66 HA ARG 12 HA ARG 12 13.287 -10.946 -10.696 67 HB2 ARG 12 1HB ARG 12 14.240 -13.323 -10.671 68 HB3 ARG 12 2HB ARG 12 14.456 -13.197 -12.405 69 HG2 ARG 12 1HG ARG 12 16.124 -11.526 -12.217 70 HG3 ARG 12 2HG ARG 12 15.597 -11.033 -10.620 71 HD2 ARG 12 1HD ARG 12 16.339 -13.822 -10.477 72 HD3 ARG 12 2HD ARG 12 17.623 -12.971 -11.312 73 HE ARG 12 HE ARG 12 16.729 -11.528 -8.944 74 HH11 ARG 12 2HH2 ARG 12 18.792 -14.153 -10.057 75 HH12 ARG 12 1HH2 ARG 12 19.859 -14.062 -8.696 76 HH21 ARG 12 2HH1 ARG 12 18.137 -11.407 -7.148 77 HH22 ARG 12 1HH1 ARG 12 19.485 -12.490 -7.030 78 H THR 13 H THR 13 13.053 -9.055 -11.882 79 HA THR 13 HA THR 13 13.616 -9.250 -14.764 80 HB THR 13 HB THR 13 11.862 -7.404 -14.996 81 HG1 THR 13 1HG THR 13 10.719 -6.933 -13.081 82 HG21 THR 13 1HG2 THR 13 10.927 -10.034 -13.730 83 HG22 THR 13 2HG2 THR 13 9.860 -8.875 -14.559 84 HG23 THR 13 3HG2 THR 13 11.129 -9.725 -15.472 85 H HIS 14 H HIS 14 15.343 -8.116 -15.368 86 HA HIS 14 HA HIS 14 16.716 -6.537 -13.506 87 HB2 HIS 14 1HB HIS 14 16.997 -7.186 -16.414 88 HB3 HIS 14 2HB HIS 14 17.914 -5.836 -15.775 89 HD1 HIS 14 1HD HIS 14 17.300 -9.497 -14.766 90 HD2 HIS 14 2HD HIS 14 20.346 -6.614 -14.831 91 HE1 HIS 14 1HE HIS 14 19.406 -10.663 -13.920 92 H GLU 15 H GLU 15 16.625 -4.378 -13.025 93 HA GLU 15 HA GLU 15 15.744 -2.482 -14.868 94 HB2 GLU 15 1HB GLU 15 13.676 -3.700 -13.128 95 HB3 GLU 15 2HB GLU 15 13.717 -1.951 -13.046 96 HG2 GLU 15 1HG GLU 15 13.969 -2.445 -15.790 97 HG3 GLU 15 2HG GLU 15 12.869 -3.707 -15.270 98 H ASP 16 H ASP 16 16.209 -0.350 -14.123 99 HA ASP 16 HA ASP 16 18.134 -0.141 -12.226 100 HB2 ASP 16 1HB ASP 16 17.497 1.569 -13.982 101 HB3 ASP 16 2HB ASP 16 16.109 2.010 -13.007 102 H VAL 17 H VAL 17 14.702 1.088 -11.952 103 HA VAL 17 HA VAL 17 14.689 1.739 -9.321 104 HB VAL 17 HB VAL 17 12.202 0.985 -9.503 105 HG11 VAL 17 1HG1 VAL 17 11.700 2.991 -10.892 106 HG12 VAL 17 2HG1 VAL 17 12.899 3.302 -9.613 107 HG13 VAL 17 3HG1 VAL 17 13.429 3.102 -11.300 108 HG21 VAL 17 1HG2 VAL 17 12.826 0.972 -12.456 109 HG22 VAL 17 2HG2 VAL 17 12.828 -0.533 -11.504 110 HG23 VAL 17 3HG2 VAL 17 11.347 0.448 -11.615 111 HA PRO 18 HA PRO 18 14.806 -1.918 -7.021 112 HB2 PRO 18 1HB PRO 18 13.117 -1.445 -4.925 113 HB3 PRO 18 2HB PRO 18 14.742 -0.794 -5.013 114 HG2 PRO 18 1HG PRO 18 12.164 0.591 -5.438 115 HG3 PRO 18 2HG PRO 18 13.740 1.282 -5.102 116 HD2 PRO 18 1HD PRO 18 12.410 1.195 -7.642 117 HD3 PRO 18 2HD PRO 18 14.031 1.780 -7.327 118 H GLY 19 H GLY 19 13.418 -3.672 -5.758 119 HA2 GLY 19 1HA GLY 19 11.436 -4.475 -7.772 120 HA3 GLY 19 2HA GLY 19 12.251 -5.513 -6.618 121 HA PRO 20 HA PRO 20 8.221 -4.726 -4.784 122 HB2 PRO 20 1HB PRO 20 7.699 -7.297 -4.019 123 HB3 PRO 20 2HB PRO 20 7.177 -6.629 -5.552 124 HG2 PRO 20 1HG PRO 20 9.386 -8.516 -5.010 125 HG3 PRO 20 2HG PRO 20 8.585 -8.172 -6.529 126 HD2 PRO 20 1HD PRO 20 11.166 -7.236 -5.700 127 HD3 PRO 20 2HD PRO 20 10.315 -6.799 -7.168 128 H VAL 21 H VAL 21 7.920 -3.901 -2.806 129 HA VAL 21 HA VAL 21 9.988 -3.952 -0.996 130 HB VAL 21 HB VAL 21 8.116 -3.299 0.638 131 HG11 VAL 21 1HG1 VAL 21 8.024 -1.078 -0.244 132 HG12 VAL 21 2HG1 VAL 21 9.613 -1.751 -0.683 133 HG13 VAL 21 3HG1 VAL 21 8.319 -1.655 -1.902 134 HG21 VAL 21 1HG2 VAL 21 6.294 -2.652 -1.547 135 HG22 VAL 21 2HG2 VAL 21 6.495 -4.409 -1.339 136 HG23 VAL 21 3HG2 VAL 21 5.965 -3.405 0.032 137 H GLY 22 H GLY 22 9.222 -4.719 1.499 138 HA2 GLY 22 1HA GLY 22 9.697 -7.492 1.486 139 HA3 GLY 22 2HA GLY 22 9.242 -6.507 2.862 140 H HIS 23 H HIS 23 7.910 -8.347 3.588 141 HA HIS 23 HA HIS 23 5.661 -9.026 1.926 142 HB2 HIS 23 1HB HIS 23 5.426 -10.852 3.243 143 HB3 HIS 23 2HB HIS 23 7.110 -10.510 3.588 144 HD1 HIS 23 1HD HIS 23 4.089 -11.317 5.290 145 HD2 HIS 23 2HD HIS 23 7.241 -8.656 6.052 146 HE1 HIS 23 1HE HIS 23 3.991 -10.788 7.784 147 H LEU 24 H LEU 24 4.022 -7.571 1.778 148 HA LEU 24 HA LEU 24 3.560 -5.504 3.522 149 HB2 LEU 24 1HB LEU 24 2.324 -6.689 1.224 150 HB3 LEU 24 2HB LEU 24 1.082 -6.286 2.394 151 HG LEU 24 HG LEU 24 2.388 -3.970 2.476 152 HD11 LEU 24 1HD1 LEU 24 3.901 -3.586 0.900 153 HD12 LEU 24 2HD1 LEU 24 3.794 -5.302 0.437 154 HD13 LEU 24 3HD1 LEU 24 2.772 -4.095 -0.379 155 HD21 LEU 24 1HD2 LEU 24 0.484 -4.731 0.244 156 HD22 LEU 24 2HD2 LEU 24 0.024 -4.285 1.905 157 HD23 LEU 24 3HD2 LEU 24 0.805 -3.087 0.845 158 H SER 25 H SER 25 1.970 -5.135 5.192 159 HA SER 25 HA SER 25 0.797 -7.536 6.288 160 HB2 SER 25 1HB SER 25 2.278 -5.656 8.148 161 HB3 SER 25 2HB SER 25 1.738 -7.294 8.458 162 HG SER 25 HG SER 25 3.778 -6.619 6.516 163 H PHE 26 H PHE 26 -1.087 -7.094 7.614 164 HA PHE 26 HA PHE 26 -1.877 -4.270 7.640 165 HB2 PHE 26 1HB PHE 26 -3.505 -6.801 6.986 166 HB3 PHE 26 2HB PHE 26 -4.210 -5.202 7.127 167 HD1 PHE 26 2HD PHE 26 -1.815 -3.788 5.725 168 HD2 PHE 26 1HD PHE 26 -4.207 -7.145 4.720 169 HE1 PHE 26 2HE PHE 26 -1.369 -3.376 3.289 170 HE2 PHE 26 1HE PHE 26 -3.761 -6.734 2.285 171 HZ PHE 26 HZ PHE 26 -2.348 -4.855 1.598 172 H SER 27 H SER 27 -2.770 -3.544 9.551 173 HA SER 27 HA SER 27 -3.692 -5.542 11.418 174 HB2 SER 27 1HB SER 27 -1.389 -3.630 11.920 175 HB3 SER 27 2HB SER 27 -2.361 -4.225 13.251 176 HG SER 27 HG SER 27 -1.339 -6.100 13.154 177 H GLU 28 H GLU 28 -4.664 -4.311 13.457 178 HA GLU 28 HA GLU 28 -6.347 -3.064 14.082 179 HB2 GLU 28 1HB GLU 28 -4.569 -0.875 12.920 180 HB3 GLU 28 2HB GLU 28 -5.907 -0.581 14.013 181 HG2 GLU 28 1HG GLU 28 -3.622 -2.471 14.721 182 HG3 GLU 28 2HG GLU 28 -3.555 -0.755 15.074 183 H ILE 29 H ILE 29 -7.252 -4.301 11.914 184 HA ILE 29 HA ILE 29 -8.118 -2.343 9.958 185 HB ILE 29 HB ILE 29 -8.698 -5.300 10.081 186 HG12 ILE 29 1HG1 ILE 29 -6.250 -3.819 9.213 187 HG13 ILE 29 2HG1 ILE 29 -6.399 -5.369 10.015 188 HG21 ILE 29 1HG2 ILE 29 -9.497 -5.149 7.945 189 HG22 ILE 29 2HG2 ILE 29 -9.978 -3.551 8.565 190 HG23 ILE 29 3HG2 ILE 29 -8.521 -3.713 7.556 191 HD11 ILE 29 1HD1 ILE 29 -5.890 -6.153 7.908 192 HD12 ILE 29 2HD1 ILE 29 -7.648 -5.991 7.683 193 HD13 ILE 29 3HD1 ILE 29 -6.555 -4.714 7.099 194 H LEU 30 H LEU 30 -10.162 -1.490 9.811 195 HA LEU 30 HA LEU 30 -12.054 -2.431 11.854 196 HB2 LEU 30 1HB LEU 30 -11.590 0.358 10.791 197 HB3 LEU 30 2HB LEU 30 -12.937 -0.100 11.813 198 HG LEU 30 HG LEU 30 -11.270 0.960 13.165 199 HD11 LEU 30 1HD1 LEU 30 -12.476 -1.248 13.904 200 HD12 LEU 30 2HD1 LEU 30 -10.827 -1.920 13.869 201 HD13 LEU 30 3HD1 LEU 30 -11.200 -0.529 14.916 202 HD21 LEU 30 1HD2 LEU 30 -9.000 0.468 13.234 203 HD22 LEU 30 2HD2 LEU 30 -9.218 -1.135 12.491 204 HD23 LEU 30 3HD2 LEU 30 -9.391 0.335 11.502 205 H ASP 31 H ASP 31 -13.578 -0.113 10.042 206 HA ASP 31 HA ASP 31 -14.694 -2.185 8.336 207 HB2 ASP 31 1HB ASP 31 -16.607 -0.465 8.116 208 HB3 ASP 31 2HB ASP 31 -16.421 -1.246 9.674 209 H THR 32 H THR 32 -13.099 0.989 8.502 210 HA THR 32 HA THR 32 -12.675 0.933 5.639 211 HB THR 32 HB THR 32 -13.719 3.068 5.215 212 HG1 THR 32 1HG THR 32 -13.337 4.330 7.022 213 HG21 THR 32 1HG2 THR 32 -15.544 1.686 7.251 214 HG22 THR 32 2HG2 THR 32 -16.049 2.824 5.979 215 HG23 THR 32 3HG2 THR 32 -15.428 1.215 5.538 216 H SER 33 H SER 33 -11.162 0.623 8.240 217 HA SER 33 HA SER 33 -9.109 2.490 7.478 218 HB2 SER 33 1HB SER 33 -8.737 2.932 10.035 219 HB3 SER 33 2HB SER 33 -9.962 3.851 9.183 220 HG SER 33 HG SER 33 -10.704 2.954 11.244 221 H LEU 34 H LEU 34 -7.107 1.481 7.540 222 HA LEU 34 HA LEU 34 -6.632 -0.641 9.415 223 HB2 LEU 34 1HB LEU 34 -6.220 -2.378 7.836 224 HB3 LEU 34 2HB LEU 34 -7.868 -1.809 7.655 225 HG LEU 34 HG LEU 34 -6.991 -0.377 5.708 226 HD11 LEU 34 1HD1 LEU 34 -4.573 -1.994 6.366 227 HD12 LEU 34 2HD1 LEU 34 -4.954 -1.718 4.649 228 HD13 LEU 34 3HD1 LEU 34 -4.714 -0.333 5.742 229 HD21 LEU 34 1HD2 LEU 34 -6.675 -3.197 4.888 230 HD22 LEU 34 2HD2 LEU 34 -8.154 -2.827 5.807 231 HD23 LEU 34 3HD2 LEU 34 -7.794 -1.941 4.305 232 H LYS 35 H LYS 35 -4.370 -1.118 9.619 233 HA LYS 35 HA LYS 35 -2.739 1.028 8.511 234 HB2 LYS 35 1HB LYS 35 -2.891 0.478 11.013 235 HB3 LYS 35 2HB LYS 35 -1.947 -0.953 10.652 236 HG2 LYS 35 1HG LYS 35 -0.588 1.136 9.312 237 HG3 LYS 35 2HG LYS 35 -1.076 1.845 10.838 238 HD2 LYS 35 1HD LYS 35 1.033 0.857 11.315 239 HD3 LYS 35 2HD LYS 35 -0.125 -0.285 11.967 240 HE2 LYS 35 1HE LYS 35 0.299 -0.958 9.192 241 HE3 LYS 35 2HE LYS 35 1.872 -0.732 9.931 242 HZ1 LYS 35 1HZ LYS 35 0.011 -2.810 10.334 243 HZ2 LYS 35 2HZ LYS 35 1.585 -2.739 10.762 244 HZ3 LYS 35 3HZ LYS 35 0.440 -2.139 11.760 245 H VAL 36 H VAL 36 -1.134 0.702 7.022 246 HA VAL 36 HA VAL 36 -0.807 -2.078 6.137 247 HB VAL 36 HB VAL 36 -0.593 0.568 4.700 248 HG11 VAL 36 1HG1 VAL 36 0.955 -1.733 4.193 249 HG12 VAL 36 2HG1 VAL 36 -0.329 -1.728 2.960 250 HG13 VAL 36 3HG1 VAL 36 0.738 -0.314 3.141 251 HG21 VAL 36 1HG2 VAL 36 -2.232 -1.584 3.552 252 HG22 VAL 36 2HG2 VAL 36 -2.780 -1.049 5.159 253 HG23 VAL 36 3HG2 VAL 36 -2.621 0.130 3.836 254 H SER 37 H SER 37 1.242 -2.986 6.030 255 HA SER 37 HA SER 37 3.433 -1.204 6.712 256 HB2 SER 37 1HB SER 37 3.802 -2.210 8.697 257 HB3 SER 37 2HB SER 37 2.316 -3.114 8.482 258 HG SER 37 HG SER 37 4.258 -4.454 8.834 259 H TRP 38 H TRP 38 5.600 -2.136 6.092 260 HA TRP 38 HA TRP 38 5.645 -4.494 4.486 261 HB2 TRP 38 1HB TRP 38 6.262 -3.449 2.383 262 HB3 TRP 38 2HB TRP 38 4.624 -3.041 2.853 263 HD1 TRP 38 HD TRP 38 8.103 -1.399 2.501 264 HE1 TRP 38 1HE TRP 38 7.909 1.231 2.408 265 HE3 TRP 38 3HE TRP 38 3.136 -1.203 3.570 266 HZ2 TRP 38 2HZ TRP 38 5.748 3.057 2.784 267 HZ3 TRP 38 3HZ TRP 38 2.061 1.043 3.689 268 HH2 TRP 38 HH TRP 38 3.284 3.126 3.316 269 H GLN 39 H GLN 39 8.012 -4.514 3.385 270 HA GLN 39 HA GLN 39 9.798 -3.216 5.291 271 HB2 GLN 39 1HB GLN 39 9.406 -6.046 4.790 272 HB3 GLN 39 2HB GLN 39 11.038 -5.607 4.330 273 HG2 GLN 39 1HG GLN 39 11.040 -4.300 6.649 274 HG3 GLN 39 2HG GLN 39 9.710 -5.371 7.040 275 HE21 GLN 39 1HE2 GLN 39 10.087 -7.398 7.636 276 HE22 GLN 39 2HE2 GLN 39 11.627 -8.189 7.649 277 H GLU 40 H GLU 40 12.255 -3.654 4.255 278 HA GLU 40 HA GLU 40 12.133 -2.122 1.865 279 HB2 GLU 40 1HB GLU 40 14.075 -2.713 3.936 280 HB3 GLU 40 2HB GLU 40 14.809 -2.994 2.370 281 HG2 GLU 40 1HG GLU 40 14.357 -0.748 1.628 282 HG3 GLU 40 2HG GLU 40 13.222 -0.459 2.932 283 HA PRO 41 HA PRO 41 12.505 -5.469 -0.883 284 HB2 PRO 41 1HB PRO 41 13.239 -4.140 -3.156 285 HB3 PRO 41 2HB PRO 41 11.580 -4.247 -2.602 286 HG2 PRO 41 1HG PRO 41 13.433 -1.948 -2.471 287 HG3 PRO 41 2HG PRO 41 11.687 -1.960 -2.325 288 HD2 PRO 41 1HD PRO 41 13.586 -1.705 -0.190 289 HD3 PRO 41 2HD PRO 41 11.845 -1.834 -0.035 290 H GLY 42 H GLY 42 13.922 -6.926 -1.929 291 HA2 GLY 42 1HA GLY 42 16.561 -6.754 -0.847 292 HA3 GLY 42 2HA GLY 42 15.920 -7.983 -1.919 293 H GLU 43 H GLU 43 14.996 -6.035 -3.993 294 HA GLU 43 HA GLU 43 17.560 -5.742 -5.247 295 HB2 GLU 43 1HB GLU 43 14.705 -5.796 -6.118 296 HB3 GLU 43 2HB GLU 43 15.766 -4.792 -7.085 297 HG2 GLU 43 1HG GLU 43 16.152 -7.754 -6.451 298 HG3 GLU 43 2HG GLU 43 15.727 -7.070 -8.007 299 H LYS 44 H LYS 44 17.419 -4.040 -3.052 300 HA LYS 44 HA LYS 44 16.333 -1.596 -3.240 301 HB2 LYS 44 1HB LYS 44 19.095 -2.400 -2.300 302 HB3 LYS 44 2HB LYS 44 18.450 -0.786 -2.080 303 HG2 LYS 44 1HG LYS 44 16.378 -1.955 -1.005 304 HG3 LYS 44 2HG LYS 44 17.374 -3.395 -0.943 305 HD2 LYS 44 1HD LYS 44 18.924 -2.424 0.571 306 HD3 LYS 44 2HD LYS 44 18.456 -0.787 0.157 307 HE2 LYS 44 1HE LYS 44 16.911 -0.757 1.818 308 HE3 LYS 44 2HE LYS 44 16.116 -2.171 1.154 309 HZ1 LYS 44 1HZ LYS 44 18.257 -2.066 3.131 310 HZ2 LYS 44 2HZ LYS 44 16.830 -2.855 3.206 311 HZ3 LYS 44 3HZ LYS 44 18.027 -3.422 2.251 312 H ASN 45 H ASN 45 18.970 -2.926 -5.233 313 HA ASN 45 HA ASN 45 20.147 -2.080 -6.866 314 HB2 ASN 45 1HB ASN 45 17.312 -1.520 -7.394 315 HB3 ASN 45 2HB ASN 45 18.324 -0.340 -8.203 316 HD21 ASN 45 1HD2 ASN 45 16.913 -3.313 -8.429 317 HD22 ASN 45 2HD2 ASN 45 17.862 -4.038 -9.684 318 H GLY 46 H GLY 46 20.034 -0.443 -4.323 319 HA2 GLY 46 1HA GLY 46 21.648 1.550 -4.541 320 HA3 GLY 46 2HA GLY 46 20.292 2.300 -5.359 321 H ILE 47 H ILE 47 19.331 3.747 -3.996 322 HA ILE 47 HA ILE 47 18.657 2.761 -1.321 323 HB ILE 47 HB ILE 47 20.079 5.290 -2.072 324 HG12 ILE 47 1HG1 ILE 47 21.521 3.530 -1.375 325 HG13 ILE 47 2HG1 ILE 47 21.417 4.671 -0.049 326 HG21 ILE 47 1HG2 ILE 47 18.001 4.952 0.019 327 HG22 ILE 47 2HG2 ILE 47 19.501 5.776 0.508 328 HG23 ILE 47 3HG2 ILE 47 18.541 6.409 -0.850 329 HD11 ILE 47 1HD1 ILE 47 19.455 3.137 0.813 330 HD12 ILE 47 2HD1 ILE 47 20.160 1.926 -0.285 331 HD13 ILE 47 3HD1 ILE 47 21.137 2.602 1.041 332 H LEU 48 H LEU 48 16.610 3.356 -0.573 333 HA LEU 48 HA LEU 48 14.876 4.386 -2.656 334 HB2 LEU 48 1HB LEU 48 13.989 3.458 0.053 335 HB3 LEU 48 2HB LEU 48 13.108 3.459 -1.462 336 HG LEU 48 HG LEU 48 13.573 1.210 -1.076 337 HD11 LEU 48 1HD1 LEU 48 14.896 0.509 -2.893 338 HD12 LEU 48 2HD1 LEU 48 14.251 2.101 -3.363 339 HD13 LEU 48 3HD1 LEU 48 15.935 1.952 -2.805 340 HD21 LEU 48 1HD2 LEU 48 16.472 1.233 -0.722 341 HD22 LEU 48 2HD2 LEU 48 15.610 2.114 0.562 342 HD23 LEU 48 3HD2 LEU 48 15.203 0.415 0.221 343 H THR 49 H THR 49 13.657 6.289 -2.506 344 HA THR 49 HA THR 49 14.524 8.082 -0.336 345 HB THR 49 HB THR 49 13.966 9.873 -2.081 346 HG1 THR 49 1HG THR 49 13.600 8.975 -4.220 347 HG21 THR 49 1HG2 THR 49 16.189 9.744 -2.588 348 HG22 THR 49 2HG2 THR 49 16.226 8.041 -2.072 349 HG23 THR 49 3HG2 THR 49 15.813 8.452 -3.754 350 H GLY 50 H GLY 50 12.051 6.059 -1.106 351 HA2 GLY 50 1HA GLY 50 10.265 6.969 0.737 352 HA3 GLY 50 2HA GLY 50 9.816 7.826 -0.725 353 H TYR 51 H TYR 51 7.834 6.292 0.019 354 HA TYR 51 HA TYR 51 7.985 4.009 -1.799 355 HB2 TYR 51 1HB TYR 51 7.128 4.154 1.150 356 HB3 TYR 51 2HB TYR 51 6.592 2.842 0.120 357 HD1 TYR 51 2HD TYR 51 8.318 1.284 -0.893 358 HD2 TYR 51 1HD TYR 51 9.299 4.146 2.132 359 HE1 TYR 51 2HE TYR 51 10.457 0.012 -0.373 360 HE2 TYR 51 1HE TYR 51 11.435 2.864 2.641 361 HH TYR 51 HH TYR 51 12.844 1.325 1.830 362 H ARG 52 H ARG 52 6.251 3.954 -3.149 363 HA ARG 52 HA ARG 52 4.160 5.838 -2.598 364 HB2 ARG 52 1HB ARG 52 5.173 5.690 -4.880 365 HB3 ARG 52 2HB ARG 52 4.653 4.021 -5.012 366 HG2 ARG 52 1HG ARG 52 2.456 4.588 -5.422 367 HG3 ARG 52 2HG ARG 52 2.481 5.935 -4.302 368 HD2 ARG 52 1HD ARG 52 2.508 7.248 -6.175 369 HD3 ARG 52 2HD ARG 52 4.213 6.850 -6.257 370 HE ARG 52 HE ARG 52 3.770 5.570 -8.155 371 HH11 ARG 52 2HH2 ARG 52 0.794 5.897 -6.305 372 HH12 ARG 52 1HH2 ARG 52 -0.179 5.085 -7.485 373 HH21 ARG 52 2HH1 ARG 52 2.486 4.498 -9.712 374 HH22 ARG 52 1HH1 ARG 52 0.789 4.284 -9.436 375 H ILE 53 H ILE 53 2.134 5.270 -1.824 376 HA ILE 53 HA ILE 53 1.517 2.397 -1.806 377 HB ILE 53 HB ILE 53 2.027 3.271 0.408 378 HG12 ILE 53 1HG1 ILE 53 -0.926 2.668 0.064 379 HG13 ILE 53 2HG1 ILE 53 0.350 1.466 0.089 380 HG21 ILE 53 1HG2 ILE 53 -0.343 5.126 0.077 381 HG22 ILE 53 2HG2 ILE 53 0.748 4.989 1.477 382 HG23 ILE 53 3HG2 ILE 53 1.357 5.632 -0.067 383 HD11 ILE 53 1HD1 ILE 53 0.329 1.452 2.350 384 HD12 ILE 53 2HD1 ILE 53 0.694 3.194 2.382 385 HD13 ILE 53 3HD1 ILE 53 -0.996 2.641 2.323 386 H SER 54 H SER 54 -0.656 1.768 -2.262 387 HA SER 54 HA SER 54 -2.481 3.847 -3.000 388 HB2 SER 54 1HB SER 54 -2.716 2.268 -5.258 389 HB3 SER 54 2HB SER 54 -1.898 3.817 -5.195 390 HG SER 54 HG SER 54 -0.034 2.202 -4.349 391 H TRP 55 H TRP 55 -4.329 3.180 -1.974 392 HA TRP 55 HA TRP 55 -4.776 0.290 -1.761 393 HB2 TRP 55 1HB TRP 55 -6.274 0.840 0.077 394 HB3 TRP 55 2HB TRP 55 -4.646 1.425 0.358 395 HD1 TRP 55 HD TRP 55 -8.040 2.914 -0.894 396 HE1 TRP 55 1HE TRP 55 -8.292 5.421 -0.110 397 HE3 TRP 55 3HE TRP 55 -3.455 3.245 1.278 398 HZ2 TRP 55 2HZ TRP 55 -6.583 7.221 1.298 399 HZ3 TRP 55 3HZ TRP 55 -2.824 5.413 2.335 400 HH2 TRP 55 HH TRP 55 -4.304 7.359 2.368 401 H GLU 56 H GLU 56 -6.222 -0.565 -3.189 402 HA GLU 56 HA GLU 56 -8.426 1.152 -3.986 403 HB2 GLU 56 1HB GLU 56 -8.119 0.817 -6.278 404 HB3 GLU 56 2HB GLU 56 -6.461 0.953 -5.725 405 HG2 GLU 56 1HG GLU 56 -6.316 -1.551 -5.587 406 HG3 GLU 56 2HG GLU 56 -7.963 -1.671 -6.173 407 H GLU 57 H GLU 57 -10.413 0.040 -4.370 408 HA GLU 57 HA GLU 57 -10.896 -2.133 -2.855 409 HB2 GLU 57 1HB GLU 57 -12.294 -0.626 -4.930 410 HB3 GLU 57 2HB GLU 57 -12.729 -2.322 -5.010 411 HG2 GLU 57 1HG GLU 57 -13.104 -2.218 -2.458 412 HG3 GLU 57 2HG GLU 57 -12.946 -0.477 -2.592 413 H TYR 58 H TYR 58 -11.974 -4.296 -3.946 414 HA TYR 58 HA TYR 58 -9.893 -5.882 -4.732 415 HB2 TYR 58 1HB TYR 58 -12.083 -6.711 -3.940 416 HB3 TYR 58 2HB TYR 58 -12.925 -5.879 -5.232 417 HD1 TYR 58 1HD TYR 58 -10.278 -8.508 -4.795 418 HD2 TYR 58 2HD TYR 58 -13.644 -7.133 -7.050 419 HE1 TYR 58 1HE TYR 58 -10.199 -10.618 -6.212 420 HE2 TYR 58 2HE TYR 58 -13.554 -9.247 -8.459 421 HH TYR 58 HH TYR 58 -12.754 -11.485 -8.294 422 H ASN 59 H ASN 59 -12.542 -4.713 -6.940 423 HA ASN 59 HA ASN 59 -10.521 -4.734 -9.040 424 HB2 ASN 59 1HB ASN 59 -12.524 -6.554 -8.983 425 HB3 ASN 59 2HB ASN 59 -13.431 -5.236 -9.698 426 HD21 ASN 59 1HD2 ASN 59 -11.182 -7.723 -10.181 427 HD22 ASN 59 2HD2 ASN 59 -10.760 -7.420 -11.834 428 H ARG 60 H ARG 60 -10.547 -2.361 -8.060 429 HA ARG 60 HA ARG 60 -12.158 -0.814 -9.814 430 HB2 ARG 60 1HB ARG 60 -12.470 -0.456 -6.789 431 HB3 ARG 60 2HB ARG 60 -13.168 0.598 -8.003 432 HG2 ARG 60 1HG ARG 60 -14.468 -1.341 -8.925 433 HG3 ARG 60 2HG ARG 60 -13.782 -2.380 -7.692 434 HD2 ARG 60 1HD ARG 60 -15.325 -1.692 -6.173 435 HD3 ARG 60 2HD ARG 60 -14.881 -0.014 -6.412 436 HE ARG 60 HE ARG 60 -16.518 -1.049 -8.598 437 HH11 ARG 60 2HH2 ARG 60 -16.619 0.334 -5.363 438 HH12 ARG 60 1HH2 ARG 60 -18.232 0.943 -5.536 439 HH21 ARG 60 2HH1 ARG 60 -18.645 -0.245 -8.826 440 HH22 ARG 60 1HH1 ARG 60 -19.391 0.612 -7.519 441 H THR 61 H THR 61 -10.438 0.347 -10.664 442 HA THR 61 HA THR 61 -8.231 1.110 -8.977 443 HB THR 61 HB THR 61 -8.932 1.609 -11.918 444 HG1 THR 61 1HG THR 61 -8.396 -0.555 -11.722 445 HG21 THR 61 1HG2 THR 61 -6.620 2.423 -10.194 446 HG22 THR 61 2HG2 THR 61 -6.194 1.632 -11.730 447 HG23 THR 61 3HG2 THR 61 -7.177 3.116 -11.736 448 H ASN 62 H ASN 62 -11.264 2.509 -10.051 449 HA ASN 62 HA ASN 62 -10.538 5.168 -9.908 450 HB2 ASN 62 1HB ASN 62 -12.695 4.361 -10.865 451 HB3 ASN 62 2HB ASN 62 -13.217 3.818 -9.283 452 HD21 ASN 62 1HD2 ASN 62 -15.049 5.202 -9.727 453 HD22 ASN 62 2HD2 ASN 62 -14.979 6.891 -9.353 454 H THR 63 H THR 63 -10.875 2.697 -7.483 455 HA THR 63 HA THR 63 -11.259 4.677 -5.349 456 HB THR 63 HB THR 63 -11.552 2.411 -4.037 457 HG1 THR 63 1HG THR 63 -10.623 1.215 -5.917 458 HG21 THR 63 1HG2 THR 63 -13.836 2.008 -5.417 459 HG22 THR 63 2HG2 THR 63 -13.649 3.416 -4.344 460 HG23 THR 63 3HG2 THR 63 -13.415 3.597 -6.099 461 H ARG 64 H ARG 64 -8.749 4.262 -7.004 462 HA ARG 64 HA ARG 64 -7.025 3.161 -4.975 463 HB2 ARG 64 1HB ARG 64 -6.761 2.617 -7.462 464 HB3 ARG 64 2HB ARG 64 -6.285 4.283 -7.723 465 HG2 ARG 64 1HG ARG 64 -4.589 3.664 -5.677 466 HG3 ARG 64 2HG ARG 64 -4.785 2.066 -6.368 467 HD2 ARG 64 1HD ARG 64 -4.421 3.719 -8.622 468 HD3 ARG 64 2HD ARG 64 -3.320 4.392 -7.436 469 HE ARG 64 HE ARG 64 -2.966 1.598 -7.306 470 HH11 ARG 64 2HH2 ARG 64 -2.587 4.133 -9.717 471 HH12 ARG 64 1HH2 ARG 64 -1.322 3.311 -10.568 472 HH21 ARG 64 2HH1 ARG 64 -1.297 0.513 -8.428 473 HH22 ARG 64 1HH1 ARG 64 -0.583 1.238 -9.830 474 H VAL 65 H VAL 65 -5.279 4.403 -4.005 475 HA VAL 65 HA VAL 65 -5.614 7.306 -4.326 476 HB VAL 65 HB VAL 65 -4.907 5.741 -1.835 477 HG11 VAL 65 1HG1 VAL 65 -3.806 7.809 -1.635 478 HG12 VAL 65 2HG1 VAL 65 -5.136 8.699 -2.413 479 HG13 VAL 65 3HG1 VAL 65 -5.343 8.046 -0.770 480 HG21 VAL 65 1HG2 VAL 65 -7.199 5.363 -2.153 481 HG22 VAL 65 2HG2 VAL 65 -7.146 6.767 -1.060 482 HG23 VAL 65 3HG2 VAL 65 -7.479 7.000 -2.793 483 H THR 66 H THR 66 -3.600 8.573 -3.862 484 HA THR 66 HA THR 66 -1.182 6.981 -4.379 485 HB THR 66 HB THR 66 -2.169 9.508 -5.795 486 HG1 THR 66 1HG THR 66 -2.894 7.696 -6.906 487 HG21 THR 66 1HG2 THR 66 0.187 8.325 -6.975 488 HG22 THR 66 2HG2 THR 66 -0.006 9.981 -6.351 489 HG23 THR 66 3HG2 THR 66 0.550 8.681 -5.269 490 H HIS 67 H HIS 67 -0.072 7.090 -2.517 491 HA HIS 67 HA HIS 67 0.191 9.773 -1.367 492 HB2 HIS 67 1HB HIS 67 -0.203 7.099 -0.050 493 HB3 HIS 67 2HB HIS 67 0.664 8.367 0.793 494 HD1 HIS 67 1HD HIS 67 -1.213 10.738 -0.380 495 HD2 HIS 67 2HD HIS 67 -2.470 7.251 1.585 496 HE1 HIS 67 1HE HIS 67 -3.515 11.255 0.592 497 H TYR 68 H TYR 68 2.303 10.125 -0.202 498 HA TYR 68 HA TYR 68 4.426 8.429 -1.317 499 HB2 TYR 68 1HB TYR 68 4.078 11.484 -1.175 500 HB3 TYR 68 2HB TYR 68 5.639 10.751 -1.489 501 HD1 TYR 68 1HD TYR 68 5.394 8.785 -3.445 502 HD2 TYR 68 2HD TYR 68 3.026 12.327 -3.052 503 HE1 TYR 68 1HE TYR 68 4.851 8.706 -5.928 504 HE2 TYR 68 2HE TYR 68 2.491 12.236 -5.536 505 HH TYR 68 HH TYR 68 2.784 9.632 -7.347 506 H LEU 69 H LEU 69 5.850 7.723 0.200 507 HA LEU 69 HA LEU 69 5.958 9.258 2.702 508 HB2 LEU 69 1HB LEU 69 6.300 6.278 2.589 509 HB3 LEU 69 2HB LEU 69 5.980 7.302 3.975 510 HG LEU 69 HG LEU 69 3.943 7.046 1.772 511 HD11 LEU 69 1HD1 LEU 69 3.884 4.833 2.144 512 HD12 LEU 69 2HD1 LEU 69 4.776 4.958 3.680 513 HD13 LEU 69 3HD1 LEU 69 3.027 5.288 3.637 514 HD21 LEU 69 1HD2 LEU 69 3.962 7.947 4.633 515 HD22 LEU 69 2HD2 LEU 69 3.272 8.732 3.191 516 HD23 LEU 69 3HD2 LEU 69 2.462 7.319 3.909 517 HA PRO 70 HA PRO 70 10.240 9.222 2.171 518 HB2 PRO 70 1HB PRO 70 11.201 9.162 4.729 519 HB3 PRO 70 2HB PRO 70 10.579 10.615 3.973 520 HG2 PRO 70 1HG PRO 70 9.308 8.902 6.019 521 HG3 PRO 70 2HG PRO 70 8.915 10.550 5.568 522 HD2 PRO 70 1HD PRO 70 7.476 8.179 4.834 523 HD3 PRO 70 2HD PRO 70 7.152 9.813 4.289 524 H ASN 71 H ASN 71 12.434 8.151 2.777 525 HA ASN 71 HA ASN 71 11.912 5.388 2.304 526 HB2 ASN 71 1HB ASN 71 14.284 5.225 1.848 527 HB3 ASN 71 2HB ASN 71 13.777 6.770 1.196 528 HD21 ASN 71 1HD2 ASN 71 16.359 5.682 2.277 529 HD22 ASN 71 2HD2 ASN 71 16.913 6.841 3.439 530 H VAL 72 H VAL 72 11.381 6.870 5.003 531 HA VAL 72 HA VAL 72 13.077 5.161 6.689 532 HB VAL 72 HB VAL 72 12.831 6.796 8.424 533 HG11 VAL 72 1HG1 VAL 72 14.686 7.248 7.012 534 HG12 VAL 72 2HG1 VAL 72 13.651 7.945 5.744 535 HG13 VAL 72 3HG1 VAL 72 13.883 8.813 7.281 536 HG21 VAL 72 1HG2 VAL 72 11.612 8.998 7.035 537 HG22 VAL 72 2HG2 VAL 72 10.520 7.593 6.980 538 HG23 VAL 72 3HG2 VAL 72 11.107 8.203 8.546 539 H THR 73 H THR 73 9.867 5.969 5.564 540 HA THR 73 HA THR 73 8.687 4.370 7.730 541 HB THR 73 HB THR 73 7.618 6.470 5.787 542 HG1 THR 73 1HG THR 73 7.764 6.010 8.684 543 HG21 THR 73 1HG2 THR 73 5.894 4.651 6.059 544 HG22 THR 73 2HG2 THR 73 6.070 4.784 7.825 545 HG23 THR 73 3HG2 THR 73 5.417 6.151 6.891 546 H LEU 74 H LEU 74 7.407 2.562 7.317 547 HA LEU 74 HA LEU 74 7.306 1.697 4.531 548 HB2 LEU 74 1HB LEU 74 8.138 -0.240 6.662 549 HB3 LEU 74 2HB LEU 74 8.274 -0.379 4.920 550 HG LEU 74 HG LEU 74 9.821 1.826 6.181 551 HD11 LEU 74 1HD1 LEU 74 9.938 -0.417 7.606 552 HD12 LEU 74 2HD1 LEU 74 11.096 -0.865 6.331 553 HD13 LEU 74 3HD1 LEU 74 11.370 0.597 7.308 554 HD21 LEU 74 1HD2 LEU 74 11.273 0.051 4.425 555 HD22 LEU 74 2HD2 LEU 74 9.723 0.530 3.693 556 HD23 LEU 74 3HD2 LEU 74 10.876 1.775 4.230 557 H GLU 75 H GLU 75 5.573 2.728 6.988 558 HA GLU 75 HA GLU 75 3.451 0.873 6.387 559 HB2 GLU 75 1HB GLU 75 2.851 0.527 8.744 560 HB3 GLU 75 2HB GLU 75 4.483 -0.040 8.452 561 HG2 GLU 75 1HG GLU 75 4.348 2.819 9.241 562 HG3 GLU 75 2HG GLU 75 3.732 1.727 10.466 563 H TYR 76 H TYR 76 1.350 1.828 6.552 564 HA TYR 76 HA TYR 76 1.188 4.531 7.593 565 HB2 TYR 76 1HB TYR 76 1.924 4.748 5.200 566 HB3 TYR 76 2HB TYR 76 0.689 3.612 4.694 567 HD1 TYR 76 2HD TYR 76 1.349 7.062 5.782 568 HD2 TYR 76 1HD TYR 76 -1.653 4.292 4.509 569 HE1 TYR 76 2HE TYR 76 -0.267 8.985 5.385 570 HE2 TYR 76 1HE TYR 76 -3.259 6.224 4.116 571 HH TYR 76 HH TYR 76 -2.698 9.307 5.323 572 H ARG 77 H ARG 77 -1.020 5.242 7.924 573 HA ARG 77 HA ARG 77 -2.754 2.966 8.214 574 HB2 ARG 77 1HB ARG 77 -2.440 4.539 10.129 575 HB3 ARG 77 2HB ARG 77 -3.049 5.864 9.157 576 HG2 ARG 77 1HG ARG 77 -5.223 5.264 9.500 577 HG3 ARG 77 2HG ARG 77 -4.903 3.577 9.150 578 HD2 ARG 77 1HD ARG 77 -5.669 3.911 11.507 579 HD3 ARG 77 2HD ARG 77 -4.068 3.202 11.437 580 HE ARG 77 HE ARG 77 -3.470 5.870 11.564 581 HH11 ARG 77 2HH2 ARG 77 -5.644 3.861 13.468 582 HH12 ARG 77 1HH2 ARG 77 -5.474 4.815 14.903 583 HH21 ARG 77 2HH1 ARG 77 -3.246 7.129 13.458 584 HH22 ARG 77 1HH1 ARG 77 -4.101 6.687 14.897 585 H VAL 78 H VAL 78 -4.429 2.554 6.794 586 HA VAL 78 HA VAL 78 -5.015 4.623 4.821 587 HB VAL 78 HB VAL 78 -5.771 1.696 4.886 588 HG11 VAL 78 1HG1 VAL 78 -6.193 3.925 2.939 589 HG12 VAL 78 2HG1 VAL 78 -5.833 2.306 2.292 590 HG13 VAL 78 3HG1 VAL 78 -7.243 2.549 3.352 591 HG21 VAL 78 1HG2 VAL 78 -3.400 1.742 4.799 592 HG22 VAL 78 2HG2 VAL 78 -3.944 1.514 3.120 593 HG23 VAL 78 3HG2 VAL 78 -3.390 3.115 3.666 594 H THR 79 H THR 79 -7.146 5.373 4.434 595 HA THR 79 HA THR 79 -9.288 4.384 6.095 596 HB THR 79 HB THR 79 -9.647 6.701 7.096 597 HG1 THR 79 1HG THR 79 -8.345 7.949 5.678 598 HG21 THR 79 1HG2 THR 79 -6.829 5.766 7.772 599 HG22 THR 79 2HG2 THR 79 -8.051 6.472 8.857 600 HG23 THR 79 3HG2 THR 79 -8.243 4.805 8.266 601 H GLY 80 H GLY 80 -11.342 4.927 5.320 602 HA2 GLY 80 1HA GLY 80 -12.744 6.245 3.936 603 HA3 GLY 80 2HA GLY 80 -11.383 6.592 2.888 604 H LEU 81 H LEU 81 -11.595 3.307 4.100 605 HA LEU 81 HA LEU 81 -12.037 2.369 1.419 606 HB2 LEU 81 1HB LEU 81 -11.813 0.645 3.865 607 HB3 LEU 81 2HB LEU 81 -11.375 0.277 2.209 608 HG LEU 81 HG LEU 81 -9.915 2.418 3.749 609 HD11 LEU 81 1HD1 LEU 81 -8.892 0.984 5.097 610 HD12 LEU 81 2HD1 LEU 81 -10.039 -0.269 4.564 611 HD13 LEU 81 3HD1 LEU 81 -8.476 -0.083 3.734 612 HD21 LEU 81 1HD2 LEU 81 -8.326 0.823 1.953 613 HD22 LEU 81 2HD2 LEU 81 -9.770 1.438 1.112 614 HD23 LEU 81 3HD2 LEU 81 -8.663 2.570 1.925 615 H THR 82 H THR 82 -13.389 -0.117 2.773 616 HA THR 82 HA THR 82 -16.029 0.997 3.293 617 HB THR 82 HB THR 82 -15.635 -1.122 1.135 618 HG1 THR 82 1HG THR 82 -14.509 0.846 0.518 619 HG21 THR 82 1HG2 THR 82 -17.845 0.756 2.042 620 HG22 THR 82 2HG2 THR 82 -17.779 0.224 0.345 621 HG23 THR 82 3HG2 THR 82 -17.950 -0.976 1.649 622 H ALA 83 H ALA 83 -17.398 -0.366 4.482 623 HA ALA 83 HA ALA 83 -15.985 -2.225 6.100 624 HB1 ALA 83 1HB ALA 83 -18.949 -2.226 6.149 625 HB2 ALA 83 2HB ALA 83 -17.783 -1.984 7.471 626 HB3 ALA 83 3HB ALA 83 -18.197 -0.631 6.391 627 H LEU 84 H LEU 84 -15.989 -4.469 6.067 628 HA LEU 84 HA LEU 84 -15.999 -6.448 5.062 629 HB2 LEU 84 1HB LEU 84 -18.905 -5.754 4.613 630 HB3 LEU 84 2HB LEU 84 -18.213 -7.364 4.586 631 HG LEU 84 HG LEU 84 -18.704 -5.548 6.927 632 HD11 LEU 84 1HD1 LEU 84 -19.142 -8.521 6.786 633 HD12 LEU 84 2HD1 LEU 84 -19.961 -7.301 7.790 634 HD13 LEU 84 3HD1 LEU 84 -20.295 -7.386 6.044 635 HD21 LEU 84 1HD2 LEU 84 -16.559 -7.644 6.713 636 HD22 LEU 84 2HD2 LEU 84 -16.491 -6.019 7.436 637 HD23 LEU 84 3HD2 LEU 84 -17.372 -7.325 8.264 638 H THR 85 H THR 85 -14.672 -4.890 3.419 639 HA THR 85 HA THR 85 -15.681 -5.678 0.787 640 HB THR 85 HB THR 85 -14.916 -2.875 1.725 641 HG1 THR 85 1HG THR 85 -17.152 -3.230 1.739 642 HG21 THR 85 1HG2 THR 85 -15.660 -3.211 -1.114 643 HG22 THR 85 2HG2 THR 85 -14.348 -2.239 -0.405 644 HG23 THR 85 3HG2 THR 85 -14.095 -3.970 -0.734 645 H THR 86 H THR 86 -14.099 -6.208 -0.723 646 HA THR 86 HA THR 86 -11.524 -6.780 0.487 647 HB THR 86 HB THR 86 -12.780 -7.467 -2.224 648 HG1 THR 86 1HG THR 86 -13.813 -8.421 -0.337 649 HG21 THR 86 1HG2 THR 86 -10.468 -8.858 -0.796 650 HG22 THR 86 2HG2 THR 86 -11.027 -9.101 -2.468 651 HG23 THR 86 3HG2 THR 86 -10.184 -7.598 -2.021 652 H TYR 87 H TYR 87 -9.863 -5.417 0.436 653 HA TYR 87 HA TYR 87 -9.742 -3.578 -1.860 654 HB2 TYR 87 1HB TYR 87 -9.409 -3.353 1.147 655 HB3 TYR 87 2HB TYR 87 -8.305 -2.393 0.183 656 HD1 TYR 87 1HD TYR 87 -9.138 -0.543 -1.221 657 HD2 TYR 87 2HD TYR 87 -11.782 -2.821 1.254 658 HE1 TYR 87 1HE TYR 87 -10.923 1.251 -1.465 659 HE2 TYR 87 2HE TYR 87 -13.558 -1.019 1.003 660 HH TYR 87 HH TYR 87 -13.250 1.505 -1.304 661 H THR 88 H THR 88 -7.618 -3.047 -2.661 662 HA THR 88 HA THR 88 -5.550 -4.955 -1.783 663 HB THR 88 HB THR 88 -6.743 -4.348 -4.454 664 HG1 THR 88 1HG THR 88 -5.893 -6.587 -4.621 665 HG21 THR 88 1HG2 THR 88 -3.766 -4.995 -4.194 666 HG22 THR 88 2HG2 THR 88 -4.687 -4.712 -5.691 667 HG23 THR 88 3HG2 THR 88 -4.358 -3.361 -4.580 668 H ILE 89 H ILE 89 -3.962 -3.946 -0.738 669 HA ILE 89 HA ILE 89 -3.493 -1.144 -1.389 670 HB ILE 89 HB ILE 89 -2.208 -2.704 0.833 671 HG12 ILE 89 1HG1 ILE 89 -4.553 -3.171 1.091 672 HG13 ILE 89 2HG1 ILE 89 -4.072 -1.996 2.298 673 HG21 ILE 89 1HG2 ILE 89 -2.835 0.221 0.373 674 HG22 ILE 89 2HG2 ILE 89 -2.253 -0.446 1.917 675 HG23 ILE 89 3HG2 ILE 89 -1.236 -0.555 0.461 676 HD11 ILE 89 1HD1 ILE 89 -6.277 -1.623 0.861 677 HD12 ILE 89 2HD1 ILE 89 -5.231 -0.242 1.270 678 HD13 ILE 89 3HD1 ILE 89 -5.131 -0.986 -0.343 679 H GLU 90 H GLU 90 -1.931 -0.588 -2.800 680 HA GLU 90 HA GLU 90 0.089 -2.609 -3.334 681 HB2 GLU 90 1HB GLU 90 -0.524 -0.145 -5.011 682 HB3 GLU 90 2HB GLU 90 0.393 -1.558 -5.492 683 HG2 GLU 90 1HG GLU 90 -1.508 -2.543 -6.228 684 HG3 GLU 90 2HG GLU 90 -2.153 -2.518 -4.599 685 H VAL 91 H VAL 91 2.087 -2.320 -2.451 686 HA VAL 91 HA VAL 91 2.840 0.440 -1.777 687 HB VAL 91 HB VAL 91 3.552 -2.189 -0.464 688 HG11 VAL 91 1HG1 VAL 91 5.232 -1.217 0.676 689 HG12 VAL 91 2HG1 VAL 91 5.213 -0.009 -0.630 690 HG13 VAL 91 3HG1 VAL 91 4.339 0.308 0.887 691 HG21 VAL 91 1HG2 VAL 91 2.289 -1.428 1.419 692 HG22 VAL 91 2HG2 VAL 91 2.073 0.187 0.703 693 HG23 VAL 91 3HG2 VAL 91 1.262 -1.223 -0.020 694 H ALA 92 H ALA 92 4.446 1.281 -2.994 695 HA ALA 92 HA ALA 92 6.322 -0.634 -4.204 696 HB1 ALA 92 1HB ALA 92 5.505 0.074 -6.182 697 HB2 ALA 92 2HB ALA 92 4.566 1.374 -5.409 698 HB3 ALA 92 3HB ALA 92 6.275 1.641 -5.832 699 H ALA 93 H ALA 93 8.506 0.301 -4.626 700 HA ALA 93 HA ALA 93 9.180 2.134 -2.455 701 HB1 ALA 93 1HB ALA 93 10.742 0.148 -4.136 702 HB2 ALA 93 2HB ALA 93 11.537 1.324 -3.063 703 HB3 ALA 93 3HB ALA 93 10.430 0.107 -2.384 704 H MET 94 H MET 94 11.052 3.710 -3.003 705 HA MET 94 HA MET 94 10.843 4.619 -5.747 706 HB2 MET 94 1HB MET 94 10.257 6.236 -3.216 707 HB3 MET 94 2HB MET 94 10.688 7.026 -4.719 708 HG2 MET 94 1HG MET 94 8.759 5.682 -5.814 709 HG3 MET 94 2HG MET 94 8.259 5.261 -4.188 710 HE1 MET 94 1HE MET 94 7.176 8.546 -2.586 711 HE2 MET 94 2HE MET 94 7.143 6.767 -2.542 712 HE3 MET 94 3HE MET 94 8.686 7.633 -2.351 713 H THR 95 H THR 95 12.792 5.356 -6.573 714 HA THR 95 HA THR 95 14.957 5.739 -4.609 715 HB THR 95 HB THR 95 16.285 4.852 -6.792 716 HG1 THR 95 1HG THR 95 14.641 4.310 -8.195 717 HG21 THR 95 1HG2 THR 95 16.675 3.213 -5.240 718 HG22 THR 95 2HG2 THR 95 15.118 3.528 -4.436 719 HG23 THR 95 3HG2 THR 95 15.192 2.426 -5.833 720 H SER 96 H SER 96 16.921 6.611 -6.418 721 HA SER 96 HA SER 96 15.957 9.276 -6.760 722 HB2 SER 96 1HB SER 96 18.291 9.833 -7.230 723 HB3 SER 96 2HB SER 96 18.215 8.795 -5.821 724 HG SER 96 HG SER 96 19.790 7.825 -7.004 725 H LYS 97 H LYS 97 15.426 6.624 -8.548 726 HA LYS 97 HA LYS 97 15.890 8.011 -11.097 727 HB2 LYS 97 1HB LYS 97 16.810 6.157 -11.909 728 HB3 LYS 97 2HB LYS 97 16.793 5.488 -10.290 729 HG2 LYS 97 1HG LYS 97 15.612 3.875 -11.567 730 HG3 LYS 97 2HG LYS 97 14.338 4.784 -10.778 731 HD2 LYS 97 1HD LYS 97 14.869 6.209 -13.175 732 HD3 LYS 97 2HD LYS 97 14.919 4.519 -13.637 733 HE2 LYS 97 1HE LYS 97 12.678 4.877 -11.850 734 HE3 LYS 97 2HE LYS 97 12.605 6.143 -13.059 735 HZ1 LYS 97 1HZ LYS 97 12.978 4.318 -14.712 736 HZ2 LYS 97 2HZ LYS 97 12.681 3.251 -13.511 737 HZ3 LYS 97 3HZ LYS 97 11.526 4.312 -13.965 738 H GLY 98 H GLY 98 13.649 6.102 -9.044 739 HA2 GLY 98 1HA GLY 98 11.362 7.429 -9.654 740 HA3 GLY 98 2HA GLY 98 11.497 6.259 -10.952 741 H GLN 99 H GLN 99 9.568 5.165 -10.161 742 HA GLN 99 HA GLN 99 9.941 3.857 -7.596 743 HB2 GLN 99 1HB GLN 99 7.825 5.115 -7.953 744 HB3 GLN 99 2HB GLN 99 7.454 4.115 -9.343 745 HG2 GLN 99 1HG GLN 99 7.897 2.163 -7.468 746 HG3 GLN 99 2HG GLN 99 7.310 3.448 -6.430 747 HE21 GLN 99 1HE2 GLN 99 5.262 4.393 -6.837 748 HE22 GLN 99 2HE2 GLN 99 4.006 3.521 -7.653 749 H GLY 100 H GLY 100 9.861 1.563 -7.383 750 HA2 GLY 100 1HA GLY 100 10.359 0.135 -9.910 751 HA3 GLY 100 2HA GLY 100 10.893 -0.349 -8.313 752 H GLN 101 H GLN 101 9.930 -2.459 -8.535 753 HA GLN 101 HA GLN 101 7.419 -3.002 -9.347 754 HB2 GLN 101 1HB GLN 101 9.490 -4.434 -8.231 755 HB3 GLN 101 2HB GLN 101 8.294 -4.544 -6.956 756 HG2 GLN 101 1HG GLN 101 6.999 -5.981 -8.157 757 HG3 GLN 101 2HG GLN 101 7.058 -4.965 -9.584 758 HE21 GLN 101 1HE2 GLN 101 7.080 -7.616 -9.915 759 HE22 GLN 101 2HE2 GLN 101 8.626 -8.199 -10.433 760 H VAL 102 H VAL 102 5.560 -3.887 -7.814 761 HA VAL 102 HA VAL 102 5.269 -2.133 -5.496 762 HB VAL 102 HB VAL 102 4.180 -1.387 -7.818 763 HG11 VAL 102 1HG1 VAL 102 2.893 -3.672 -7.738 764 HG12 VAL 102 2HG1 VAL 102 1.824 -2.809 -6.605 765 HG13 VAL 102 3HG1 VAL 102 2.052 -2.191 -8.259 766 HG21 VAL 102 1HG2 VAL 102 3.871 -0.739 -5.103 767 HG22 VAL 102 2HG2 VAL 102 3.367 0.230 -6.509 768 HG23 VAL 102 3HG2 VAL 102 2.216 -0.890 -5.740 769 H SER 103 H SER 103 4.204 -3.100 -3.771 770 HA SER 103 HA SER 103 3.582 -5.897 -4.225 771 HB2 SER 103 1HB SER 103 4.589 -4.292 -1.912 772 HB3 SER 103 2HB SER 103 3.503 -5.607 -1.506 773 HG SER 103 HG SER 103 5.456 -6.331 -3.381 774 H ALA 104 H ALA 104 1.429 -6.105 -4.805 775 HA ALA 104 HA ALA 104 -0.506 -4.483 -3.313 776 HB1 ALA 104 1HB ALA 104 -0.169 -4.876 -6.035 777 HB2 ALA 104 2HB ALA 104 -1.459 -6.034 -5.630 778 HB3 ALA 104 3HB ALA 104 -1.662 -4.307 -5.250 779 H SER 105 H SER 105 -1.530 -5.476 -1.656 780 HA SER 105 HA SER 105 -1.886 -8.359 -1.924 781 HB2 SER 105 1HB SER 105 -0.491 -6.889 0.114 782 HB3 SER 105 2HB SER 105 -1.935 -7.556 0.850 783 HG SER 105 HG SER 105 -0.085 -9.111 -0.746 784 H THR 106 H THR 106 -3.992 -9.099 -1.658 785 HA THR 106 HA THR 106 -6.048 -7.111 -1.392 786 HB THR 106 HB THR 106 -6.500 -10.109 -1.427 787 HG1 THR 106 1HG THR 106 -5.688 -10.119 -3.547 788 HG21 THR 106 1HG2 THR 106 -8.559 -8.992 -1.737 789 HG22 THR 106 2HG2 THR 106 -7.794 -7.609 -2.556 790 HG23 THR 106 3HG2 THR 106 -8.001 -9.152 -3.419 791 H ILE 107 H ILE 107 -7.426 -6.705 0.288 792 HA ILE 107 HA ILE 107 -7.301 -8.430 2.606 793 HB ILE 107 HB ILE 107 -5.489 -7.100 3.201 794 HG12 ILE 107 1HG1 ILE 107 -6.458 -5.523 4.990 795 HG13 ILE 107 2HG1 ILE 107 -8.036 -6.057 4.445 796 HG21 ILE 107 1HG2 ILE 107 -5.973 -4.451 3.152 797 HG22 ILE 107 2HG2 ILE 107 -5.191 -5.338 1.821 798 HG23 ILE 107 3HG2 ILE 107 -6.929 -4.961 1.739 799 HD11 ILE 107 1HD1 ILE 107 -6.742 -7.345 6.398 800 HD12 ILE 107 2HD1 ILE 107 -7.735 -8.235 5.218 801 HD13 ILE 107 3HD1 ILE 107 -5.967 -8.170 5.024 802 H SER 108 H SER 108 -9.287 -8.573 3.559 803 HA SER 108 HA SER 108 -11.296 -6.811 2.442 804 HB2 SER 108 1HB SER 108 -12.065 -8.994 2.179 805 HB3 SER 108 2HB SER 108 -11.295 -9.564 3.646 806 HG SER 108 HG SER 108 -13.839 -9.009 3.391 807 H SER 109 H SER 109 -11.956 -5.070 3.642 808 HA SER 109 HA SER 109 -11.026 -4.283 5.965 809 HB2 SER 109 1HB SER 109 -13.239 -3.075 6.321 810 HB3 SER 109 2HB SER 109 -12.514 -2.855 4.741 811 HG SER 109 HG SER 109 -14.780 -3.317 4.554 812 H GLY 110 H GLY 110 -11.771 -4.317 8.245 813 HA2 GLY 110 1HA GLY 110 -12.310 -6.918 9.178 814 HA3 GLY 110 2HA GLY 110 -12.313 -5.439 10.117 815 H VAL 111 H VAL 111 -14.275 -4.314 10.530 816 HA VAL 111 HA VAL 111 -16.671 -4.843 9.203 817 HB VAL 111 HB VAL 111 -16.508 -7.056 10.150 818 HG11 VAL 111 1HG1 VAL 111 -15.007 -6.566 12.030 819 HG12 VAL 111 2HG1 VAL 111 -16.320 -5.695 12.860 820 HG13 VAL 111 3HG1 VAL 111 -16.455 -7.447 12.576 821 HG21 VAL 111 1HG2 VAL 111 -18.608 -7.021 11.598 822 HG22 VAL 111 2HG2 VAL 111 -18.579 -5.250 11.421 823 HG23 VAL 111 3HG2 VAL 111 -18.743 -6.286 9.982 824 HA PRO 112 HA PRO 112 -17.404 -1.255 11.508 825 HB2 PRO 112 1HB PRO 112 -20.025 -0.812 10.874 826 HB3 PRO 112 2HB PRO 112 -18.696 -0.361 9.825 827 HG2 PRO 112 1HG PRO 112 -20.583 -2.620 9.558 828 HG3 PRO 112 2HG PRO 112 -19.546 -1.907 8.339 829 HD2 PRO 112 1HD PRO 112 -19.110 -4.376 9.731 830 HD3 PRO 112 2HD PRO 112 -18.018 -3.605 8.598 831 HA PRO 113 HA PRO 113 -18.939 -2.740 15.215 832 HB2 PRO 113 1HB PRO 113 -18.160 -0.672 16.823 833 HB3 PRO 113 2HB PRO 113 -17.107 -2.008 16.402 834 HG2 PRO 113 1HG PRO 113 -17.080 0.766 15.381 835 HG3 PRO 113 2HG PRO 113 -15.813 -0.442 15.308 836 HD2 PRO 113 1HD PRO 113 -17.540 0.367 13.164 837 HD3 PRO 113 2HD PRO 113 -16.352 -0.922 13.125 838 H SER 114 H SER 114 -19.820 0.162 13.666 839 HA SER 114 HA SER 114 -21.581 1.288 15.302 840 HB2 SER 114 1HB SER 114 -21.005 1.764 12.798 841 HB3 SER 114 2HB SER 114 -22.351 0.707 12.422 842 HG SER 114 HG SER 114 -22.477 3.100 14.054 843 H GLY 115 H GLY 115 -23.391 0.653 16.426 844 HA2 GLY 115 1HA GLY 115 -25.485 -0.346 16.600 845 HA3 GLY 115 2HA GLY 115 -25.085 -1.455 15.303 846 HA PRO 116 HA PRO 116 -24.241 -3.344 19.474 847 HB2 PRO 116 1HB PRO 116 -26.563 -4.690 19.989 848 HB3 PRO 116 2HB PRO 116 -26.187 -3.127 20.685 849 HG2 PRO 116 1HG PRO 116 -28.067 -3.777 18.499 850 HG3 PRO 116 2HG PRO 116 -27.986 -2.329 19.483 851 HD2 PRO 116 1HD PRO 116 -27.074 -2.620 16.779 852 HD3 PRO 116 2HD PRO 116 -26.889 -1.209 17.802 853 H SER 117 H SER 117 -22.784 -4.263 17.811 854 HA SER 117 HA SER 117 -23.857 -6.839 16.982 855 HB2 SER 117 1HB SER 117 -22.082 -6.847 15.272 856 HB3 SER 117 2HB SER 117 -23.046 -5.388 15.150 857 HG SER 117 HG SER 117 -21.364 -4.160 15.756 858 H SER 118 H SER 118 -23.305 -8.469 18.384 859 HA SER 118 HA SER 118 -20.591 -8.362 19.448 860 HB2 SER 118 1HB SER 118 -21.563 -9.622 21.459 861 HB3 SER 118 2HB SER 118 -21.988 -7.927 21.329 862 HG SER 118 HG SER 118 -24.065 -8.420 20.836 863 H GLY 119 H GLY 119 -23.451 -10.561 18.929 864 HA2 GLY 119 1HA GLY 119 -23.578 -12.575 17.915 865 HA3 GLY 119 2HA GLY 119 -21.944 -12.366 17.318 Start of MODEL 8 1 H1 GLY 1 H GLY 1 23.633 -25.229 16.407 2 HA2 GLY 1 1HA GLY 1 25.044 -26.811 14.549 3 HA3 GLY 1 2HA GLY 1 23.558 -27.632 14.985 4 H SER 2 H SER 2 23.959 -26.739 12.355 5 HA SER 2 HA SER 2 21.645 -25.300 11.944 6 HB2 SER 2 1HB SER 2 24.139 -23.660 12.163 7 HB3 SER 2 2HB SER 2 23.094 -23.289 10.807 8 HG SER 2 HG SER 2 21.851 -22.223 12.171 9 H SER 3 H SER 3 21.370 -24.776 9.534 10 HA SER 3 HA SER 3 23.323 -25.519 7.714 11 HB2 SER 3 1HB SER 3 22.852 -27.810 8.623 12 HB3 SER 3 2HB SER 3 21.173 -27.639 8.152 13 HG SER 3 HG SER 3 23.037 -28.661 6.653 14 H GLY 4 H GLY 4 22.406 -25.526 5.426 15 HA2 GLY 4 1HA GLY 4 20.131 -25.289 4.311 16 HA3 GLY 4 2HA GLY 4 19.943 -23.901 5.363 17 H SER 5 H SER 5 20.181 -24.184 2.324 18 HA SER 5 HA SER 5 21.481 -21.847 1.839 19 HB2 SER 5 1HB SER 5 23.377 -23.943 2.235 20 HB3 SER 5 2HB SER 5 23.351 -23.635 0.510 21 HG SER 5 HG SER 5 23.990 -21.830 2.655 22 H SER 6 H SER 6 20.201 -21.267 0.124 23 HA SER 6 HA SER 6 20.319 -22.748 -2.255 24 HB2 SER 6 1HB SER 6 18.589 -24.005 -0.731 25 HB3 SER 6 2HB SER 6 17.529 -22.651 -1.070 26 HG SER 6 HG SER 6 17.436 -23.186 -3.222 27 H GLY 7 H GLY 7 18.807 -21.678 -3.970 28 HA2 GLY 7 1HA GLY 7 17.322 -19.471 -3.775 29 HA3 GLY 7 2HA GLY 7 18.927 -18.805 -3.550 30 HA PRO 8 HA PRO 8 18.014 -19.782 -8.048 31 HB2 PRO 8 1HB PRO 8 16.589 -17.630 -8.947 32 HB3 PRO 8 2HB PRO 8 15.847 -19.158 -8.515 33 HG2 PRO 8 1HG PRO 8 15.856 -16.612 -7.013 34 HG3 PRO 8 2HG PRO 8 14.795 -17.994 -6.825 35 HD2 PRO 8 1HD PRO 8 16.996 -17.278 -5.132 36 HD3 PRO 8 2HD PRO 8 16.008 -18.720 -5.013 37 H GLN 9 H GLN 9 18.824 -18.648 -10.054 38 HA GLN 9 HA GLN 9 20.456 -16.390 -9.321 39 HB2 GLN 9 1HB GLN 9 21.719 -18.682 -9.003 40 HB3 GLN 9 2HB GLN 9 21.799 -18.697 -10.753 41 HG2 GLN 9 1HG GLN 9 22.541 -16.053 -9.838 42 HG3 GLN 9 2HG GLN 9 23.453 -17.228 -8.912 43 HE21 GLN 9 1HE2 GLN 9 25.234 -16.197 -10.086 44 HE22 GLN 9 2HE2 GLN 9 25.697 -16.808 -11.640 45 H LEU 10 H LEU 10 19.452 -15.001 -10.768 46 HA LEU 10 HA LEU 10 19.660 -15.787 -13.584 47 HB2 LEU 10 1HB LEU 10 17.265 -15.435 -12.096 48 HB3 LEU 10 2HB LEU 10 17.406 -14.075 -13.191 49 HG LEU 10 HG LEU 10 18.038 -16.340 -14.742 50 HD11 LEU 10 1HD1 LEU 10 16.864 -17.478 -12.667 51 HD12 LEU 10 2HD1 LEU 10 15.386 -16.934 -13.497 52 HD13 LEU 10 3HD1 LEU 10 16.530 -18.011 -14.332 53 HD21 LEU 10 1HD2 LEU 10 15.628 -15.794 -15.642 54 HD22 LEU 10 2HD2 LEU 10 15.772 -14.391 -14.555 55 HD23 LEU 10 3HD2 LEU 10 16.967 -14.640 -15.851 56 H VAL 11 H VAL 11 21.603 -14.590 -13.781 57 HA VAL 11 HA VAL 11 21.696 -11.880 -12.889 58 HB VAL 11 HB VAL 11 23.645 -13.374 -12.970 59 HG11 VAL 11 1HG1 VAL 11 24.123 -13.086 -15.854 60 HG12 VAL 11 2HG1 VAL 11 24.324 -14.500 -14.792 61 HG13 VAL 11 3HG1 VAL 11 22.723 -14.113 -15.465 62 HG21 VAL 11 1HG2 VAL 11 24.630 -11.360 -12.927 63 HG22 VAL 11 2HG2 VAL 11 24.937 -11.603 -14.663 64 HG23 VAL 11 3HG2 VAL 11 23.506 -10.687 -14.132 65 H ARG 12 H ARG 12 20.530 -10.296 -13.845 66 HA ARG 12 HA ARG 12 20.889 -9.757 -16.543 67 HB2 ARG 12 1HB ARG 12 18.651 -11.537 -15.899 68 HB3 ARG 12 2HB ARG 12 18.052 -10.042 -16.591 69 HG2 ARG 12 1HG ARG 12 19.216 -10.353 -18.627 70 HG3 ARG 12 2HG ARG 12 20.401 -11.425 -17.907 71 HD2 ARG 12 1HD ARG 12 19.166 -13.216 -18.551 72 HD3 ARG 12 2HD ARG 12 17.850 -12.676 -17.528 73 HE ARG 12 HE ARG 12 17.896 -11.162 -19.993 74 HH11 ARG 12 2HH2 ARG 12 16.994 -14.295 -18.670 75 HH12 ARG 12 1HH2 ARG 12 15.785 -14.598 -19.873 76 HH21 ARG 12 2HH1 ARG 12 16.301 -11.561 -21.580 77 HH22 ARG 12 1HH1 ARG 12 15.388 -13.032 -21.540 78 H THR 13 H THR 13 19.985 -7.645 -17.091 79 HA THR 13 HA THR 13 19.662 -5.932 -14.897 80 HB THR 13 HB THR 13 19.128 -4.281 -16.729 81 HG1 THR 13 1HG THR 13 18.927 -5.262 -18.869 82 HG21 THR 13 1HG2 THR 13 21.260 -4.303 -17.654 83 HG22 THR 13 2HG2 THR 13 21.547 -5.517 -16.384 84 HG23 THR 13 3HG2 THR 13 21.175 -6.038 -18.045 85 H HIS 14 H HIS 14 18.049 -6.112 -13.454 86 HA HIS 14 HA HIS 14 15.384 -6.613 -14.530 87 HB2 HIS 14 1HB HIS 14 16.816 -7.511 -12.209 88 HB3 HIS 14 2HB HIS 14 15.401 -6.622 -11.683 89 HD1 HIS 14 1HD HIS 14 16.429 -9.731 -13.552 90 HD2 HIS 14 2HD HIS 14 12.917 -7.839 -12.256 91 HE1 HIS 14 1HE HIS 14 14.550 -11.433 -13.843 92 H GLU 15 H GLU 15 16.058 -4.158 -15.276 93 HA GLU 15 HA GLU 15 15.509 -2.061 -15.177 94 HB2 GLU 15 1HB GLU 15 13.476 -3.194 -13.245 95 HB3 GLU 15 2HB GLU 15 13.568 -1.460 -13.479 96 HG2 GLU 15 1HG GLU 15 12.540 -1.588 -15.503 97 HG3 GLU 15 2HG GLU 15 13.639 -2.834 -16.060 98 H ASP 16 H ASP 16 16.116 -0.085 -14.117 99 HA ASP 16 HA ASP 16 18.100 -0.394 -12.225 100 HB2 ASP 16 1HB ASP 16 17.761 1.543 -13.845 101 HB3 ASP 16 2HB ASP 16 16.468 2.120 -12.813 102 H VAL 17 H VAL 17 14.761 1.062 -11.980 103 HA VAL 17 HA VAL 17 14.674 1.710 -9.368 104 HB VAL 17 HB VAL 17 12.204 0.934 -9.574 105 HG11 VAL 17 1HG1 VAL 17 11.765 2.866 -11.185 106 HG12 VAL 17 2HG1 VAL 17 12.721 3.241 -9.731 107 HG13 VAL 17 3HG1 VAL 17 13.533 3.035 -11.302 108 HG21 VAL 17 1HG2 VAL 17 12.911 0.798 -12.511 109 HG22 VAL 17 2HG2 VAL 17 12.828 -0.658 -11.490 110 HG23 VAL 17 3HG2 VAL 17 11.384 0.361 -11.708 111 HA PRO 18 HA PRO 18 14.807 -1.907 -7.009 112 HB2 PRO 18 1HB PRO 18 13.085 -1.420 -4.943 113 HB3 PRO 18 2HB PRO 18 14.703 -0.751 -5.020 114 HG2 PRO 18 1HG PRO 18 12.116 0.596 -5.502 115 HG3 PRO 18 2HG PRO 18 13.678 1.311 -5.157 116 HD2 PRO 18 1HD PRO 18 12.384 1.166 -7.713 117 HD3 PRO 18 2HD PRO 18 13.994 1.776 -7.386 118 H GLY 19 H GLY 19 13.430 -3.661 -5.741 119 HA2 GLY 19 1HA GLY 19 11.474 -4.512 -7.762 120 HA3 GLY 19 2HA GLY 19 12.297 -5.529 -6.596 121 HA PRO 20 HA PRO 20 8.264 -4.819 -4.762 122 HB2 PRO 20 1HB PRO 20 7.857 -7.373 -3.879 123 HB3 PRO 20 2HB PRO 20 7.307 -6.800 -5.441 124 HG2 PRO 20 1HG PRO 20 9.599 -8.559 -4.814 125 HG3 PRO 20 2HG PRO 20 8.785 -8.322 -6.347 126 HD2 PRO 20 1HD PRO 20 11.320 -7.233 -5.564 127 HD3 PRO 20 2HD PRO 20 10.452 -6.903 -7.050 128 H VAL 21 H VAL 21 7.980 -3.864 -2.847 129 HA VAL 21 HA VAL 21 10.052 -3.828 -1.026 130 HB VAL 21 HB VAL 21 8.323 -2.907 0.522 131 HG11 VAL 21 1HG1 VAL 21 8.369 -1.796 -2.304 132 HG12 VAL 21 2HG1 VAL 21 7.843 -0.906 -0.856 133 HG13 VAL 21 3HG1 VAL 21 9.533 -1.444 -1.004 134 HG21 VAL 21 1HG2 VAL 21 6.546 -4.358 -1.109 135 HG22 VAL 21 2HG2 VAL 21 6.139 -3.257 0.229 136 HG23 VAL 21 3HG2 VAL 21 6.211 -2.641 -1.440 137 H GLY 22 H GLY 22 9.067 -4.384 1.519 138 HA2 GLY 22 1HA GLY 22 9.660 -7.081 1.828 139 HA3 GLY 22 2HA GLY 22 8.880 -6.051 3.012 140 H HIS 23 H HIS 23 7.548 -7.879 3.685 141 HA HIS 23 HA HIS 23 5.659 -8.819 1.690 142 HB2 HIS 23 1HB HIS 23 5.403 -10.684 2.958 143 HB3 HIS 23 2HB HIS 23 7.012 -10.226 3.479 144 HD1 HIS 23 1HD HIS 23 3.970 -11.360 4.874 145 HD2 HIS 23 2HD HIS 23 6.683 -8.343 5.940 146 HE1 HIS 23 1HE HIS 23 3.559 -10.869 7.344 147 H LEU 24 H LEU 24 3.752 -7.785 1.424 148 HA LEU 24 HA LEU 24 2.936 -5.653 2.948 149 HB2 LEU 24 1HB LEU 24 1.870 -7.325 0.818 150 HB3 LEU 24 2HB LEU 24 0.610 -6.743 1.889 151 HG LEU 24 HG LEU 24 1.116 -5.332 -0.154 152 HD11 LEU 24 1HD1 LEU 24 -0.015 -3.808 0.988 153 HD12 LEU 24 2HD1 LEU 24 0.461 -4.589 2.515 154 HD13 LEU 24 3HD1 LEU 24 1.476 -3.304 1.818 155 HD21 LEU 24 1HD2 LEU 24 3.729 -5.581 0.593 156 HD22 LEU 24 2HD2 LEU 24 3.093 -4.336 -0.509 157 HD23 LEU 24 3HD2 LEU 24 3.333 -3.960 1.214 158 H SER 25 H SER 25 1.725 -5.350 4.793 159 HA SER 25 HA SER 25 0.488 -7.699 5.933 160 HB2 SER 25 1HB SER 25 2.221 -5.933 7.688 161 HB3 SER 25 2HB SER 25 1.576 -7.521 8.050 162 HG SER 25 HG SER 25 3.988 -7.073 7.205 163 H PHE 26 H PHE 26 -1.209 -7.156 7.505 164 HA PHE 26 HA PHE 26 -1.835 -4.302 7.630 165 HB2 PHE 26 1HB PHE 26 -3.721 -6.650 6.988 166 HB3 PHE 26 2HB PHE 26 -4.229 -4.980 7.139 167 HD1 PHE 26 2HD PHE 26 -2.204 -3.526 5.621 168 HD2 PHE 26 1HD PHE 26 -4.052 -7.252 4.780 169 HE1 PHE 26 2HE PHE 26 -1.788 -3.179 3.171 170 HE2 PHE 26 1HE PHE 26 -3.636 -6.905 2.329 171 HZ PHE 26 HZ PHE 26 -2.509 -4.872 1.554 172 H SER 27 H SER 27 -2.576 -3.622 9.621 173 HA SER 27 HA SER 27 -3.441 -5.703 11.449 174 HB2 SER 27 1HB SER 27 -1.056 -3.934 11.725 175 HB3 SER 27 2HB SER 27 -2.063 -4.047 13.155 176 HG SER 27 HG SER 27 -0.994 -6.313 11.696 177 H GLU 28 H GLU 28 -4.390 -4.564 13.550 178 HA GLU 28 HA GLU 28 -6.177 -3.453 14.193 179 HB2 GLU 28 1HB GLU 28 -4.245 -1.253 13.377 180 HB3 GLU 28 2HB GLU 28 -5.745 -0.893 14.207 181 HG2 GLU 28 1HG GLU 28 -4.538 -3.054 15.643 182 HG3 GLU 28 2HG GLU 28 -3.252 -1.911 15.309 183 H ILE 29 H ILE 29 -6.991 -4.479 11.879 184 HA ILE 29 HA ILE 29 -7.748 -2.410 10.026 185 HB ILE 29 HB ILE 29 -8.524 -5.326 10.080 186 HG12 ILE 29 1HG1 ILE 29 -5.986 -3.979 9.300 187 HG13 ILE 29 2HG1 ILE 29 -6.258 -5.578 9.963 188 HG21 ILE 29 1HG2 ILE 29 -9.338 -5.081 7.964 189 HG22 ILE 29 2HG2 ILE 29 -9.697 -3.459 8.604 190 HG23 ILE 29 3HG2 ILE 29 -8.263 -3.716 7.581 191 HD11 ILE 29 1HD1 ILE 29 -5.722 -6.152 7.777 192 HD12 ILE 29 2HD1 ILE 29 -7.485 -5.977 7.608 193 HD13 ILE 29 3HD1 ILE 29 -6.406 -4.653 7.105 194 H LEU 30 H LEU 30 -9.921 -1.760 9.555 195 HA LEU 30 HA LEU 30 -11.813 -2.418 11.702 196 HB2 LEU 30 1HB LEU 30 -11.495 0.296 10.421 197 HB3 LEU 30 2HB LEU 30 -12.575 -0.141 11.730 198 HG LEU 30 HG LEU 30 -9.605 -0.465 12.075 199 HD11 LEU 30 1HD1 LEU 30 -11.157 2.114 12.107 200 HD12 LEU 30 2HD1 LEU 30 -9.720 1.888 13.133 201 HD13 LEU 30 3HD1 LEU 30 -9.580 1.750 11.364 202 HD21 LEU 30 1HD2 LEU 30 -10.672 0.443 14.432 203 HD22 LEU 30 2HD2 LEU 30 -12.006 -0.530 13.765 204 HD23 LEU 30 3HD2 LEU 30 -10.402 -1.264 14.007 205 H ASP 31 H ASP 31 -13.522 -0.325 10.009 206 HA ASP 31 HA ASP 31 -14.439 -2.401 8.197 207 HB2 ASP 31 1HB ASP 31 -16.598 -1.277 8.241 208 HB3 ASP 31 2HB ASP 31 -16.051 -1.480 9.894 209 H THR 32 H THR 32 -13.059 0.833 8.493 210 HA THR 32 HA THR 32 -12.804 1.013 5.619 211 HB THR 32 HB THR 32 -13.886 3.261 5.540 212 HG1 THR 32 1HG THR 32 -15.048 3.808 7.599 213 HG21 THR 32 1HG2 THR 32 -15.368 1.195 5.237 214 HG22 THR 32 2HG2 THR 32 -15.745 1.296 6.973 215 HG23 THR 32 3HG2 THR 32 -16.222 2.618 5.881 216 H SER 33 H SER 33 -11.089 0.583 8.026 217 HA SER 33 HA SER 33 -9.141 2.495 7.264 218 HB2 SER 33 1HB SER 33 -8.876 2.965 9.936 219 HB3 SER 33 2HB SER 33 -9.740 4.031 8.847 220 HG SER 33 HG SER 33 -11.688 3.314 9.588 221 H LEU 34 H LEU 34 -7.155 1.473 7.367 222 HA LEU 34 HA LEU 34 -6.677 -0.482 9.430 223 HB2 LEU 34 1HB LEU 34 -6.247 -2.327 8.006 224 HB3 LEU 34 2HB LEU 34 -7.877 -1.761 7.703 225 HG LEU 34 HG LEU 34 -6.816 -0.456 5.714 226 HD11 LEU 34 1HD1 LEU 34 -4.826 -2.572 5.381 227 HD12 LEU 34 2HD1 LEU 34 -4.697 -0.816 5.119 228 HD13 LEU 34 3HD1 LEU 34 -4.477 -1.490 6.751 229 HD21 LEU 34 1HD2 LEU 34 -7.617 -2.065 4.331 230 HD22 LEU 34 2HD2 LEU 34 -6.757 -3.379 5.167 231 HD23 LEU 34 3HD2 LEU 34 -8.251 -2.709 5.865 232 H LYS 35 H LYS 35 -4.406 -0.950 9.678 233 HA LYS 35 HA LYS 35 -2.783 1.170 8.525 234 HB2 LYS 35 1HB LYS 35 -2.935 0.620 11.034 235 HB3 LYS 35 2HB LYS 35 -1.960 -0.789 10.672 236 HG2 LYS 35 1HG LYS 35 -1.062 1.920 9.660 237 HG3 LYS 35 2HG LYS 35 -0.804 1.512 11.345 238 HD2 LYS 35 1HD LYS 35 -0.004 -0.558 9.317 239 HD3 LYS 35 2HD LYS 35 0.979 0.891 9.392 240 HE2 LYS 35 1HE LYS 35 1.981 0.187 11.304 241 HE3 LYS 35 2HE LYS 35 0.432 -0.016 12.099 242 HZ1 LYS 35 1HZ LYS 35 0.500 -2.105 10.441 243 HZ2 LYS 35 2HZ LYS 35 2.079 -1.973 10.835 244 HZ3 LYS 35 3HZ LYS 35 0.957 -2.156 12.008 245 H VAL 36 H VAL 36 -1.059 0.831 7.141 246 HA VAL 36 HA VAL 36 -0.752 -1.951 6.244 247 HB VAL 36 HB VAL 36 -0.501 0.671 4.761 248 HG11 VAL 36 1HG1 VAL 36 0.600 -0.319 3.063 249 HG12 VAL 36 2HG1 VAL 36 1.062 -1.531 4.282 250 HG13 VAL 36 3HG1 VAL 36 -0.327 -1.831 3.210 251 HG21 VAL 36 1HG2 VAL 36 -2.810 -0.134 5.143 252 HG22 VAL 36 2HG2 VAL 36 -2.361 -0.156 3.421 253 HG23 VAL 36 3HG2 VAL 36 -2.390 -1.673 4.352 254 H SER 37 H SER 37 1.307 -2.837 6.153 255 HA SER 37 HA SER 37 3.492 -1.029 6.759 256 HB2 SER 37 1HB SER 37 4.352 -2.409 8.530 257 HB3 SER 37 2HB SER 37 2.662 -2.123 8.894 258 HG SER 37 HG SER 37 3.973 -4.520 8.143 259 H TRP 38 H TRP 38 5.610 -1.873 6.062 260 HA TRP 38 HA TRP 38 5.635 -4.384 4.646 261 HB2 TRP 38 1HB TRP 38 6.374 -3.393 2.522 262 HB3 TRP 38 2HB TRP 38 4.702 -3.040 2.910 263 HD1 TRP 38 HD TRP 38 8.107 -1.274 2.566 264 HE1 TRP 38 1HE TRP 38 7.818 1.345 2.422 265 HE3 TRP 38 3HE TRP 38 3.136 -1.236 3.635 266 HZ2 TRP 38 2HZ TRP 38 5.593 3.100 2.763 267 HZ3 TRP 38 3HZ TRP 38 1.981 0.972 3.710 268 HH2 TRP 38 HH TRP 38 3.128 3.090 3.295 269 H GLN 39 H GLN 39 8.049 -4.280 3.422 270 HA GLN 39 HA GLN 39 9.826 -3.060 5.378 271 HB2 GLN 39 1HB GLN 39 9.408 -5.893 4.905 272 HB3 GLN 39 2HB GLN 39 11.052 -5.473 4.465 273 HG2 GLN 39 1HG GLN 39 10.135 -4.227 7.004 274 HG3 GLN 39 2HG GLN 39 10.171 -5.978 7.050 275 HE21 GLN 39 1HE2 GLN 39 11.828 -5.213 8.710 276 HE22 GLN 39 2HE2 GLN 39 13.478 -5.126 8.189 277 H GLU 40 H GLU 40 12.285 -3.534 4.368 278 HA GLU 40 HA GLU 40 12.196 -2.039 1.954 279 HB2 GLU 40 1HB GLU 40 14.125 -2.634 4.044 280 HB3 GLU 40 2HB GLU 40 14.861 -2.915 2.479 281 HG2 GLU 40 1HG GLU 40 14.376 -0.663 1.734 282 HG3 GLU 40 2HG GLU 40 13.293 -0.373 3.081 283 HA PRO 41 HA PRO 41 12.546 -5.437 -0.735 284 HB2 PRO 41 1HB PRO 41 13.273 -4.148 -3.032 285 HB3 PRO 41 2HB PRO 41 11.616 -4.245 -2.471 286 HG2 PRO 41 1HG PRO 41 13.470 -1.944 -2.385 287 HG3 PRO 41 2HG PRO 41 11.725 -1.954 -2.233 288 HD2 PRO 41 1HD PRO 41 13.630 -1.663 -0.109 289 HD3 PRO 41 2HD PRO 41 11.890 -1.788 0.054 290 H GLY 42 H GLY 42 13.960 -6.906 -1.776 291 HA2 GLY 42 1HA GLY 42 16.602 -6.723 -0.698 292 HA3 GLY 42 2HA GLY 42 15.958 -7.965 -1.753 293 H GLU 43 H GLU 43 15.033 -6.054 -3.855 294 HA GLU 43 HA GLU 43 17.594 -5.775 -5.115 295 HB2 GLU 43 1HB GLU 43 14.737 -5.842 -5.977 296 HB3 GLU 43 2HB GLU 43 15.789 -4.840 -6.957 297 HG2 GLU 43 1HG GLU 43 16.187 -7.796 -6.305 298 HG3 GLU 43 2HG GLU 43 15.763 -7.120 -7.866 299 H LYS 44 H LYS 44 17.472 -4.046 -2.945 300 HA LYS 44 HA LYS 44 16.386 -1.601 -3.163 301 HB2 LYS 44 1HB LYS 44 19.139 -2.411 -2.204 302 HB3 LYS 44 2HB LYS 44 18.514 -0.786 -2.017 303 HG2 LYS 44 1HG LYS 44 16.428 -1.894 -0.919 304 HG3 LYS 44 2HG LYS 44 17.388 -3.359 -0.842 305 HD2 LYS 44 1HD LYS 44 18.977 -2.397 0.648 306 HD3 LYS 44 2HD LYS 44 18.520 -0.757 0.233 307 HE2 LYS 44 1HE LYS 44 17.001 -0.711 1.917 308 HE3 LYS 44 2HE LYS 44 16.172 -2.104 1.250 309 HZ1 LYS 44 1HZ LYS 44 17.955 -1.979 3.437 310 HZ2 LYS 44 2HZ LYS 44 16.916 -3.167 3.017 311 HZ3 LYS 44 3HZ LYS 44 18.415 -3.127 2.370 312 H ASN 45 H ASN 45 18.993 -2.977 -5.154 313 HA ASN 45 HA ASN 45 20.188 -2.150 -6.788 314 HB2 ASN 45 1HB ASN 45 17.353 -1.586 -7.327 315 HB3 ASN 45 2HB ASN 45 18.376 -0.434 -8.162 316 HD21 ASN 45 1HD2 ASN 45 16.893 -3.341 -8.392 317 HD22 ASN 45 2HD2 ASN 45 17.851 -4.124 -9.604 318 H GLY 46 H GLY 46 20.099 -0.483 -4.275 319 HA2 GLY 46 1HA GLY 46 21.705 1.510 -4.528 320 HA3 GLY 46 2HA GLY 46 20.343 2.249 -5.347 321 H ILE 47 H ILE 47 19.373 3.704 -4.003 322 HA ILE 47 HA ILE 47 18.711 2.753 -1.314 323 HB ILE 47 HB ILE 47 20.152 5.264 -2.087 324 HG12 ILE 47 1HG1 ILE 47 21.577 3.492 -1.378 325 HG13 ILE 47 2HG1 ILE 47 21.493 4.652 -0.068 326 HG21 ILE 47 1HG2 ILE 47 18.527 6.347 -0.899 327 HG22 ILE 47 2HG2 ILE 47 18.142 4.923 0.097 328 HG23 ILE 47 3HG2 ILE 47 19.613 5.869 0.428 329 HD11 ILE 47 1HD1 ILE 47 20.271 1.898 -0.248 330 HD12 ILE 47 2HD1 ILE 47 21.165 2.651 1.095 331 HD13 ILE 47 3HD1 ILE 47 19.480 3.124 0.771 332 H LEU 48 H LEU 48 16.666 3.356 -0.575 333 HA LEU 48 HA LEU 48 14.935 4.377 -2.662 334 HB2 LEU 48 1HB LEU 48 14.058 3.503 0.070 335 HB3 LEU 48 2HB LEU 48 13.164 3.491 -1.437 336 HG LEU 48 HG LEU 48 13.603 1.245 -1.044 337 HD11 LEU 48 1HD1 LEU 48 15.074 0.505 -2.792 338 HD12 LEU 48 2HD1 LEU 48 14.246 1.985 -3.334 339 HD13 LEU 48 3HD1 LEU 48 15.940 2.060 -2.790 340 HD21 LEU 48 1HD2 LEU 48 16.492 1.217 -0.654 341 HD22 LEU 48 2HD2 LEU 48 15.640 2.143 0.605 342 HD23 LEU 48 3HD2 LEU 48 15.196 0.448 0.292 343 H THR 49 H THR 49 13.743 6.297 -2.550 344 HA THR 49 HA THR 49 14.634 8.122 -0.416 345 HB THR 49 HB THR 49 14.193 9.896 -2.147 346 HG1 THR 49 1HG THR 49 12.749 9.024 -3.612 347 HG21 THR 49 1HG2 THR 49 16.364 9.535 -2.769 348 HG22 THR 49 2HG2 THR 49 16.231 7.804 -2.377 349 HG23 THR 49 3HG2 THR 49 15.756 8.390 -3.989 350 H GLY 50 H GLY 50 12.138 6.106 -1.133 351 HA2 GLY 50 1HA GLY 50 10.372 7.083 0.702 352 HA3 GLY 50 2HA GLY 50 9.918 7.892 -0.785 353 H TYR 51 H TYR 51 7.924 6.411 -0.012 354 HA TYR 51 HA TYR 51 8.063 4.055 -1.734 355 HB2 TYR 51 1HB TYR 51 7.122 4.305 1.188 356 HB3 TYR 51 2HB TYR 51 6.711 2.921 0.193 357 HD1 TYR 51 1HD TYR 51 8.574 1.429 -0.672 358 HD2 TYR 51 2HD TYR 51 9.232 4.456 2.279 359 HE1 TYR 51 1HE TYR 51 10.752 0.305 0.005 360 HE2 TYR 51 2HE TYR 51 11.407 3.322 2.946 361 HH TYR 51 HH TYR 51 12.379 0.261 1.444 362 H ARG 52 H ARG 52 6.306 3.911 -3.056 363 HA ARG 52 HA ARG 52 4.219 5.831 -2.561 364 HB2 ARG 52 1HB ARG 52 5.468 5.313 -4.855 365 HB3 ARG 52 2HB ARG 52 4.325 3.990 -4.973 366 HG2 ARG 52 1HG ARG 52 2.511 5.839 -4.429 367 HG3 ARG 52 2HG ARG 52 3.761 6.970 -4.908 368 HD2 ARG 52 1HD ARG 52 2.687 4.677 -6.623 369 HD3 ARG 52 2HD ARG 52 2.308 6.374 -6.838 370 HE ARG 52 HE ARG 52 5.162 6.043 -6.864 371 HH11 ARG 52 2HH2 ARG 52 2.324 5.383 -8.837 372 HH12 ARG 52 1HH2 ARG 52 3.194 5.440 -10.334 373 HH21 ARG 52 2HH1 ARG 52 6.310 6.117 -8.838 374 HH22 ARG 52 1HH1 ARG 52 5.477 5.860 -10.334 375 H ILE 53 H ILE 53 2.227 5.239 -1.735 376 HA ILE 53 HA ILE 53 1.610 2.365 -1.760 377 HB ILE 53 HB ILE 53 2.150 3.262 0.460 378 HG12 ILE 53 1HG1 ILE 53 -0.709 2.382 -0.014 379 HG13 ILE 53 2HG1 ILE 53 0.676 1.363 0.322 380 HG21 ILE 53 1HG2 ILE 53 1.157 5.586 -0.177 381 HG22 ILE 53 2HG2 ILE 53 -0.370 4.894 0.420 382 HG23 ILE 53 3HG2 ILE 53 1.041 5.000 1.500 383 HD11 ILE 53 1HD1 ILE 53 -1.075 2.696 2.197 384 HD12 ILE 53 2HD1 ILE 53 0.253 1.561 2.534 385 HD13 ILE 53 3HD1 ILE 53 0.582 3.306 2.420 386 H SER 54 H SER 54 -0.563 1.738 -2.211 387 HA SER 54 HA SER 54 -2.401 3.821 -2.899 388 HB2 SER 54 1HB SER 54 -2.711 2.404 -5.192 389 HB3 SER 54 2HB SER 54 -1.700 3.830 -5.079 390 HG SER 54 HG SER 54 -0.057 1.961 -4.306 391 H TRP 55 H TRP 55 -4.323 3.144 -2.025 392 HA TRP 55 HA TRP 55 -4.729 0.244 -1.804 393 HB2 TRP 55 1HB TRP 55 -6.232 0.757 0.043 394 HB3 TRP 55 2HB TRP 55 -4.603 1.331 0.338 395 HD1 TRP 55 HD TRP 55 -7.981 2.865 -0.910 396 HE1 TRP 55 1HE TRP 55 -8.230 5.352 -0.065 397 HE3 TRP 55 3HE TRP 55 -3.424 3.115 1.332 398 HZ2 TRP 55 2HZ TRP 55 -6.532 7.106 1.413 399 HZ3 TRP 55 3HZ TRP 55 -2.797 5.251 2.454 400 HH2 TRP 55 HH TRP 55 -4.267 7.203 2.517 401 H GLU 56 H GLU 56 -6.198 -0.596 -3.219 402 HA GLU 56 HA GLU 56 -8.420 1.111 -3.961 403 HB2 GLU 56 1HB GLU 56 -8.182 0.673 -6.318 404 HB3 GLU 56 2HB GLU 56 -6.628 1.246 -5.747 405 HG2 GLU 56 1HG GLU 56 -5.947 -1.219 -5.462 406 HG3 GLU 56 2HG GLU 56 -7.424 -1.646 -6.302 407 H GLU 57 H GLU 57 -10.377 -0.034 -4.380 408 HA GLU 57 HA GLU 57 -10.780 -2.306 -2.992 409 HB2 GLU 57 1HB GLU 57 -12.225 -0.870 -5.171 410 HB3 GLU 57 2HB GLU 57 -12.720 -2.532 -4.919 411 HG2 GLU 57 1HG GLU 57 -12.383 -1.120 -2.362 412 HG3 GLU 57 2HG GLU 57 -13.519 -0.286 -3.403 413 H TYR 58 H TYR 58 -11.826 -4.421 -4.222 414 HA TYR 58 HA TYR 58 -9.663 -5.853 -5.173 415 HB2 TYR 58 1HB TYR 58 -11.748 -6.826 -4.231 416 HB3 TYR 58 2HB TYR 58 -12.718 -6.057 -5.471 417 HD1 TYR 58 2HD TYR 58 -9.900 -8.515 -5.147 418 HD2 TYR 58 1HD TYR 58 -13.398 -7.323 -7.302 419 HE1 TYR 58 2HE TYR 58 -9.739 -10.608 -6.580 420 HE2 TYR 58 1HE TYR 58 -13.226 -9.420 -8.728 421 HH TYR 58 HH TYR 58 -10.650 -11.797 -8.134 422 H ASN 59 H ASN 59 -12.543 -4.720 -7.093 423 HA ASN 59 HA ASN 59 -10.716 -4.563 -9.357 424 HB2 ASN 59 1HB ASN 59 -12.444 -6.538 -9.343 425 HB3 ASN 59 2HB ASN 59 -13.664 -5.309 -9.611 426 HD21 ASN 59 1HD2 ASN 59 -12.384 -7.567 -11.222 427 HD22 ASN 59 2HD2 ASN 59 -12.015 -6.865 -12.762 428 H ARG 60 H ARG 60 -10.787 -2.239 -8.254 429 HA ARG 60 HA ARG 60 -12.672 -0.727 -9.773 430 HB2 ARG 60 1HB ARG 60 -12.540 0.007 -6.844 431 HB3 ARG 60 2HB ARG 60 -13.814 0.333 -8.002 432 HG2 ARG 60 1HG ARG 60 -14.399 -2.109 -8.030 433 HG3 ARG 60 2HG ARG 60 -13.141 -2.417 -6.850 434 HD2 ARG 60 1HD ARG 60 -14.588 -1.906 -5.179 435 HD3 ARG 60 2HD ARG 60 -14.722 -0.271 -5.796 436 HE ARG 60 HE ARG 60 -16.826 -0.816 -6.638 437 HH11 ARG 60 2HH2 ARG 60 -14.978 -3.784 -6.236 438 HH12 ARG 60 1HH2 ARG 60 -16.296 -4.816 -6.681 439 HH21 ARG 60 2HH1 ARG 60 -18.565 -2.177 -7.225 440 HH22 ARG 60 1HH1 ARG 60 -18.350 -3.896 -7.247 441 H THR 61 H THR 61 -11.241 0.649 -10.793 442 HA THR 61 HA THR 61 -8.838 1.475 -9.388 443 HB THR 61 HB THR 61 -9.750 2.207 -12.208 444 HG1 THR 61 1HG THR 61 -8.252 -0.117 -11.232 445 HG21 THR 61 1HG2 THR 61 -7.188 2.184 -10.651 446 HG22 THR 61 2HG2 THR 61 -7.093 1.520 -12.300 447 HG23 THR 61 3HG2 THR 61 -7.654 3.189 -12.044 448 H ASN 62 H ASN 62 -12.020 2.492 -9.419 449 HA ASN 62 HA ASN 62 -11.586 5.254 -9.726 450 HB2 ASN 62 1HB ASN 62 -13.839 3.595 -8.496 451 HB3 ASN 62 2HB ASN 62 -13.905 5.346 -8.534 452 HD21 ASN 62 1HD2 ASN 62 -15.027 2.742 -10.009 453 HD22 ASN 62 2HD2 ASN 62 -15.193 3.275 -11.649 454 H THR 63 H THR 63 -11.710 2.887 -7.015 455 HA THR 63 HA THR 63 -11.358 5.003 -5.046 456 HB THR 63 HB THR 63 -11.671 3.095 -3.460 457 HG1 THR 63 1HG THR 63 -10.544 1.687 -5.222 458 HG21 THR 63 1HG2 THR 63 -13.875 2.133 -4.495 459 HG22 THR 63 2HG2 THR 63 -13.823 3.882 -4.172 460 HG23 THR 63 3HG2 THR 63 -13.584 3.276 -5.828 461 H ARG 64 H ARG 64 -9.265 4.907 -6.937 462 HA ARG 64 HA ARG 64 -7.183 3.437 -5.607 463 HB2 ARG 64 1HB ARG 64 -7.583 3.829 -8.232 464 HB3 ARG 64 2HB ARG 64 -6.685 5.305 -7.938 465 HG2 ARG 64 1HG ARG 64 -5.486 2.850 -6.735 466 HG3 ARG 64 2HG ARG 64 -5.526 2.865 -8.487 467 HD2 ARG 64 1HD ARG 64 -4.390 5.099 -8.494 468 HD3 ARG 64 2HD ARG 64 -4.352 5.086 -6.742 469 HE ARG 64 HE ARG 64 -2.590 3.529 -6.797 470 HH11 ARG 64 2HH2 ARG 64 -4.052 3.779 -9.988 471 HH12 ARG 64 1HH2 ARG 64 -2.815 2.850 -10.768 472 HH21 ARG 64 2HH1 ARG 64 -0.958 2.303 -7.825 473 HH22 ARG 64 1HH1 ARG 64 -1.044 2.005 -9.529 474 H VAL 65 H VAL 65 -5.339 4.443 -4.603 475 HA VAL 65 HA VAL 65 -5.576 7.350 -4.264 476 HB VAL 65 HB VAL 65 -4.938 5.266 -2.167 477 HG11 VAL 65 1HG1 VAL 65 -3.559 7.106 -1.644 478 HG12 VAL 65 2HG1 VAL 65 -4.803 8.287 -2.117 479 HG13 VAL 65 3HG1 VAL 65 -5.008 7.325 -0.634 480 HG21 VAL 65 1HG2 VAL 65 -7.007 6.609 -1.133 481 HG22 VAL 65 2HG2 VAL 65 -7.379 6.840 -2.858 482 HG23 VAL 65 3HG2 VAL 65 -7.222 5.196 -2.194 483 H THR 66 H THR 66 -3.462 8.383 -3.643 484 HA THR 66 HA THR 66 -1.123 6.791 -4.344 485 HB THR 66 HB THR 66 -2.056 9.305 -5.824 486 HG1 THR 66 1HG THR 66 -2.957 7.310 -6.599 487 HG21 THR 66 1HG2 THR 66 0.092 9.614 -6.537 488 HG22 THR 66 2HG2 THR 66 0.623 8.415 -5.334 489 HG23 THR 66 3HG2 THR 66 0.212 7.896 -6.987 490 H HIS 67 H HIS 67 -0.190 6.924 -2.356 491 HA HIS 67 HA HIS 67 0.160 9.647 -1.333 492 HB2 HIS 67 1HB HIS 67 -0.232 6.997 0.012 493 HB3 HIS 67 2HB HIS 67 0.716 8.224 0.827 494 HD1 HIS 67 1HD HIS 67 -1.055 10.705 -0.168 495 HD2 HIS 67 2HD HIS 67 -2.479 7.198 1.638 496 HE1 HIS 67 1HE HIS 67 -3.310 11.299 0.867 497 H TYR 68 H TYR 68 2.286 10.036 -0.192 498 HA TYR 68 HA TYR 68 4.417 8.359 -1.317 499 HB2 TYR 68 1HB TYR 68 3.971 11.399 -1.272 500 HB3 TYR 68 2HB TYR 68 5.577 10.736 -1.497 501 HD1 TYR 68 1HD TYR 68 5.455 8.650 -3.371 502 HD2 TYR 68 2HD TYR 68 3.011 12.158 -3.233 503 HE1 TYR 68 1HE TYR 68 5.018 8.452 -5.867 504 HE2 TYR 68 2HE TYR 68 2.582 11.949 -5.730 505 HH TYR 68 HH TYR 68 2.601 9.826 -7.386 506 H LEU 69 H LEU 69 5.762 7.623 0.246 507 HA LEU 69 HA LEU 69 5.921 9.234 2.700 508 HB2 LEU 69 1HB LEU 69 6.314 6.261 2.639 509 HB3 LEU 69 2HB LEU 69 5.968 7.305 4.003 510 HG LEU 69 HG LEU 69 3.932 7.009 1.814 511 HD11 LEU 69 1HD1 LEU 69 3.071 5.174 3.624 512 HD12 LEU 69 2HD1 LEU 69 3.944 4.784 2.123 513 HD13 LEU 69 3HD1 LEU 69 4.828 4.892 3.664 514 HD21 LEU 69 1HD2 LEU 69 3.212 8.628 3.278 515 HD22 LEU 69 2HD2 LEU 69 2.470 7.173 3.986 516 HD23 LEU 69 3HD2 LEU 69 3.960 7.845 4.691 517 HA PRO 70 HA PRO 70 10.197 9.251 2.131 518 HB2 PRO 70 1HB PRO 70 11.181 9.244 4.680 519 HB3 PRO 70 2HB PRO 70 10.532 10.677 3.908 520 HG2 PRO 70 1HG PRO 70 9.304 8.977 5.991 521 HG3 PRO 70 2HG PRO 70 8.883 10.611 5.519 522 HD2 PRO 70 1HD PRO 70 7.473 8.209 4.833 523 HD3 PRO 70 2HD PRO 70 7.120 9.830 4.267 524 H ASN 71 H ASN 71 12.409 8.220 2.708 525 HA ASN 71 HA ASN 71 11.922 5.443 2.291 526 HB2 ASN 71 1HB ASN 71 14.319 5.306 1.861 527 HB3 ASN 71 2HB ASN 71 13.745 6.784 1.114 528 HD21 ASN 71 1HD2 ASN 71 16.320 5.721 2.459 529 HD22 ASN 71 2HD2 ASN 71 16.851 7.028 3.464 530 H VAL 72 H VAL 72 11.417 6.976 4.975 531 HA VAL 72 HA VAL 72 13.148 5.307 6.665 532 HB VAL 72 HB VAL 72 12.990 6.964 8.351 533 HG11 VAL 72 1HG1 VAL 72 13.549 8.132 5.615 534 HG12 VAL 72 2HG1 VAL 72 13.838 9.034 7.121 535 HG13 VAL 72 3HG1 VAL 72 14.707 7.511 6.815 536 HG21 VAL 72 1HG2 VAL 72 10.555 7.687 7.021 537 HG22 VAL 72 2HG2 VAL 72 11.164 8.215 8.609 538 HG23 VAL 72 3HG2 VAL 72 11.591 9.129 7.142 539 H THR 73 H THR 73 9.930 6.019 5.538 540 HA THR 73 HA THR 73 8.799 4.434 7.745 541 HB THR 73 HB THR 73 7.682 6.564 5.863 542 HG1 THR 73 1HG THR 73 8.357 7.525 7.762 543 HG21 THR 73 1HG2 THR 73 6.196 4.754 7.841 544 HG22 THR 73 2HG2 THR 73 5.513 6.216 7.089 545 HG23 THR 73 3HG2 THR 73 5.932 4.809 6.081 546 H LEU 74 H LEU 74 7.466 2.651 7.332 547 HA LEU 74 HA LEU 74 7.336 1.808 4.540 548 HB2 LEU 74 1HB LEU 74 8.139 -0.174 6.634 549 HB3 LEU 74 2HB LEU 74 8.299 -0.267 4.892 550 HG LEU 74 HG LEU 74 9.849 1.883 6.243 551 HD11 LEU 74 1HD1 LEU 74 11.431 0.576 7.278 552 HD12 LEU 74 2HD1 LEU 74 9.946 -0.337 7.639 553 HD13 LEU 74 3HD1 LEU 74 11.023 -0.873 6.327 554 HD21 LEU 74 1HD2 LEU 74 10.922 1.893 4.301 555 HD22 LEU 74 2HD2 LEU 74 11.309 0.162 4.444 556 HD23 LEU 74 3HD2 LEU 74 9.770 0.671 3.710 557 H GLU 75 H GLU 75 5.629 2.847 7.007 558 HA GLU 75 HA GLU 75 3.502 0.974 6.444 559 HB2 GLU 75 1HB GLU 75 2.905 0.678 8.783 560 HB3 GLU 75 2HB GLU 75 4.581 0.212 8.577 561 HG2 GLU 75 1HG GLU 75 4.403 3.069 9.164 562 HG3 GLU 75 2HG GLU 75 3.539 2.152 10.382 563 H TYR 76 H TYR 76 1.346 1.897 6.789 564 HA TYR 76 HA TYR 76 1.176 4.645 7.624 565 HB2 TYR 76 1HB TYR 76 1.939 4.763 5.222 566 HB3 TYR 76 2HB TYR 76 0.680 3.637 4.754 567 HD1 TYR 76 2HD TYR 76 1.407 7.104 5.749 568 HD2 TYR 76 1HD TYR 76 -1.643 4.359 4.536 569 HE1 TYR 76 2HE TYR 76 -0.171 9.046 5.295 570 HE2 TYR 76 1HE TYR 76 -3.210 6.310 4.086 571 HH TYR 76 HH TYR 76 -2.551 9.041 3.466 572 H ARG 77 H ARG 77 -1.057 5.363 7.860 573 HA ARG 77 HA ARG 77 -2.766 3.080 8.245 574 HB2 ARG 77 1HB ARG 77 -2.489 4.767 10.077 575 HB3 ARG 77 2HB ARG 77 -3.129 6.018 9.029 576 HG2 ARG 77 1HG ARG 77 -5.270 5.418 9.491 577 HG3 ARG 77 2HG ARG 77 -4.957 3.747 9.066 578 HD2 ARG 77 1HD ARG 77 -5.685 4.128 11.488 579 HD3 ARG 77 2HD ARG 77 -4.207 3.206 11.296 580 HE ARG 77 HE ARG 77 -3.705 6.074 11.538 581 HH11 ARG 77 2HH2 ARG 77 -4.284 3.113 13.349 582 HH12 ARG 77 1HH2 ARG 77 -3.501 3.686 14.784 583 HH21 ARG 77 2HH1 ARG 77 -2.673 6.831 13.430 584 HH22 ARG 77 1HH1 ARG 77 -2.579 5.816 14.830 585 H VAL 78 H VAL 78 -4.432 2.584 6.839 586 HA VAL 78 HA VAL 78 -4.996 4.532 4.740 587 HB VAL 78 HB VAL 78 -5.635 1.587 5.007 588 HG11 VAL 78 1HG1 VAL 78 -7.287 2.233 3.557 589 HG12 VAL 78 2HG1 VAL 78 -6.381 3.652 2.977 590 HG13 VAL 78 3HG1 VAL 78 -5.952 2.024 2.398 591 HG21 VAL 78 1HG2 VAL 78 -3.456 3.105 3.563 592 HG22 VAL 78 2HG2 VAL 78 -3.305 1.748 4.704 593 HG23 VAL 78 3HG2 VAL 78 -3.952 1.468 3.070 594 H THR 79 H THR 79 -7.065 5.370 4.370 595 HA THR 79 HA THR 79 -9.259 4.433 6.007 596 HB THR 79 HB THR 79 -9.602 6.660 7.054 597 HG1 THR 79 1HG THR 79 -7.170 7.097 5.478 598 HG21 THR 79 1HG2 THR 79 -7.945 5.004 8.161 599 HG22 THR 79 2HG2 THR 79 -6.649 5.954 7.396 600 HG23 THR 79 3HG2 THR 79 -7.729 6.718 8.587 601 H GLY 80 H GLY 80 -11.292 4.965 5.179 602 HA2 GLY 80 1HA GLY 80 -12.645 6.285 3.730 603 HA3 GLY 80 2HA GLY 80 -11.265 6.531 2.678 604 H LEU 81 H LEU 81 -11.686 3.328 4.090 605 HA LEU 81 HA LEU 81 -12.154 2.277 1.438 606 HB2 LEU 81 1HB LEU 81 -11.923 0.618 3.917 607 HB3 LEU 81 2HB LEU 81 -11.459 0.235 2.272 608 HG LEU 81 HG LEU 81 -10.023 2.394 3.808 609 HD11 LEU 81 1HD1 LEU 81 -8.978 0.986 5.172 610 HD12 LEU 81 2HD1 LEU 81 -10.179 -0.243 4.708 611 HD13 LEU 81 3HD1 LEU 81 -8.624 -0.147 3.846 612 HD21 LEU 81 1HD2 LEU 81 -9.789 1.208 1.205 613 HD22 LEU 81 2HD2 LEU 81 -8.875 2.558 1.919 614 HD23 LEU 81 3HD2 LEU 81 -8.310 0.884 2.140 615 H THR 82 H THR 82 -13.561 -0.135 2.491 616 HA THR 82 HA THR 82 -16.148 1.045 3.216 617 HB THR 82 HB THR 82 -15.585 -0.903 0.918 618 HG1 THR 82 1HG THR 82 -15.128 1.445 0.636 619 HG21 THR 82 1HG2 THR 82 -17.969 -0.729 0.423 620 HG22 THR 82 2HG2 THR 82 -17.827 -1.238 2.122 621 HG23 THR 82 3HG2 THR 82 -18.204 0.456 1.729 622 H ALA 83 H ALA 83 -17.523 -0.275 4.443 623 HA ALA 83 HA ALA 83 -16.167 -2.084 6.115 624 HB1 ALA 83 1HB ALA 83 -18.534 -2.516 6.946 625 HB2 ALA 83 2HB ALA 83 -18.017 -0.812 6.964 626 HB3 ALA 83 3HB ALA 83 -19.096 -1.401 5.677 627 H LEU 84 H LEU 84 -16.179 -4.351 6.209 628 HA LEU 84 HA LEU 84 -15.944 -6.321 5.170 629 HB2 LEU 84 1HB LEU 84 -18.900 -5.850 4.755 630 HB3 LEU 84 2HB LEU 84 -18.093 -7.405 4.733 631 HG LEU 84 HG LEU 84 -18.543 -5.568 7.086 632 HD11 LEU 84 1HD1 LEU 84 -20.213 -7.388 6.165 633 HD12 LEU 84 2HD1 LEU 84 -19.141 -8.499 7.051 634 HD13 LEU 84 3HD1 LEU 84 -19.955 -7.171 7.913 635 HD21 LEU 84 1HD2 LEU 84 -17.260 -7.289 8.423 636 HD22 LEU 84 2HD2 LEU 84 -16.623 -7.894 6.875 637 HD23 LEU 84 3HD2 LEU 84 -16.286 -6.221 7.383 638 H THR 85 H THR 85 -14.678 -4.877 3.478 639 HA THR 85 HA THR 85 -15.727 -5.691 0.875 640 HB THR 85 HB THR 85 -15.041 -2.866 1.789 641 HG1 THR 85 1HG THR 85 -17.109 -2.651 0.539 642 HG21 THR 85 1HG2 THR 85 -15.090 -2.179 -0.582 643 HG22 THR 85 2HG2 THR 85 -13.766 -3.346 -0.349 644 HG23 THR 85 3HG2 THR 85 -15.295 -3.871 -1.094 645 H THR 86 H THR 86 -14.133 -6.077 -0.717 646 HA THR 86 HA THR 86 -11.573 -6.740 0.469 647 HB THR 86 HB THR 86 -12.717 -7.179 -2.340 648 HG1 THR 86 1HG THR 86 -13.265 -9.249 -1.331 649 HG21 THR 86 1HG2 THR 86 -11.081 -9.011 -2.458 650 HG22 THR 86 2HG2 THR 86 -10.203 -7.505 -2.097 651 HG23 THR 86 3HG2 THR 86 -10.535 -8.675 -0.797 652 H TYR 87 H TYR 87 -9.730 -5.614 0.316 653 HA TYR 87 HA TYR 87 -9.605 -3.553 -1.769 654 HB2 TYR 87 1HB TYR 87 -9.302 -3.470 1.263 655 HB3 TYR 87 2HB TYR 87 -8.271 -2.408 0.325 656 HD1 TYR 87 2HD TYR 87 -11.778 -3.180 1.214 657 HD2 TYR 87 1HD TYR 87 -9.150 -0.442 -0.761 658 HE1 TYR 87 2HE TYR 87 -13.654 -1.469 1.075 659 HE2 TYR 87 1HE TYR 87 -11.035 1.260 -0.895 660 HH TYR 87 HH TYR 87 -13.977 0.698 -0.799 661 H THR 88 H THR 88 -7.557 -3.221 -2.676 662 HA THR 88 HA THR 88 -5.473 -5.055 -1.684 663 HB THR 88 HB THR 88 -6.622 -4.490 -4.393 664 HG1 THR 88 1HG THR 88 -5.869 -6.763 -4.479 665 HG21 THR 88 1HG2 THR 88 -3.683 -5.255 -4.059 666 HG22 THR 88 2HG2 THR 88 -4.561 -4.947 -5.576 667 HG23 THR 88 3HG2 THR 88 -4.189 -3.600 -4.474 668 H ILE 89 H ILE 89 -3.937 -3.988 -0.613 669 HA ILE 89 HA ILE 89 -3.453 -1.214 -1.341 670 HB ILE 89 HB ILE 89 -2.168 -2.732 0.912 671 HG12 ILE 89 1HG1 ILE 89 -4.459 -3.211 1.270 672 HG13 ILE 89 2HG1 ILE 89 -4.059 -1.884 2.342 673 HG21 ILE 89 1HG2 ILE 89 -2.993 0.107 1.141 674 HG22 ILE 89 2HG2 ILE 89 -1.521 -0.720 1.707 675 HG23 ILE 89 3HG2 ILE 89 -1.675 -0.246 -0.002 676 HD11 ILE 89 1HD1 ILE 89 -5.675 -0.613 1.401 677 HD12 ILE 89 2HD1 ILE 89 -4.885 -0.762 -0.187 678 HD13 ILE 89 3HD1 ILE 89 -6.092 -1.967 0.324 679 H GLU 90 H GLU 90 -1.875 -0.662 -2.737 680 HA GLU 90 HA GLU 90 0.148 -2.689 -3.241 681 HB2 GLU 90 1HB GLU 90 -0.555 -0.264 -4.949 682 HB3 GLU 90 2HB GLU 90 0.487 -1.597 -5.406 683 HG2 GLU 90 1HG GLU 90 -1.284 -2.862 -6.054 684 HG3 GLU 90 2HG GLU 90 -2.091 -2.631 -4.516 685 H VAL 91 H VAL 91 2.137 -2.378 -2.347 686 HA VAL 91 HA VAL 91 2.869 0.393 -1.698 687 HB VAL 91 HB VAL 91 3.598 -2.235 -0.395 688 HG11 VAL 91 1HG1 VAL 91 5.296 -1.279 0.745 689 HG12 VAL 91 2HG1 VAL 91 5.312 -0.122 -0.608 690 HG13 VAL 91 3HG1 VAL 91 4.453 0.282 0.898 691 HG21 VAL 91 1HG2 VAL 91 2.380 -1.459 1.505 692 HG22 VAL 91 2HG2 VAL 91 2.192 0.167 0.806 693 HG23 VAL 91 3HG2 VAL 91 1.332 -1.216 0.087 694 H ALA 92 H ALA 92 4.430 1.258 -2.956 695 HA ALA 92 HA ALA 92 6.318 -0.628 -4.193 696 HB1 ALA 92 1HB ALA 92 6.211 1.710 -5.761 697 HB2 ALA 92 2HB ALA 92 5.526 0.117 -6.163 698 HB3 ALA 92 3HB ALA 92 4.517 1.342 -5.359 699 H ALA 93 H ALA 93 8.500 0.286 -4.587 700 HA ALA 93 HA ALA 93 9.174 2.133 -2.426 701 HB1 ALA 93 1HB ALA 93 10.366 0.037 -2.377 702 HB2 ALA 93 2HB ALA 93 10.787 0.171 -4.101 703 HB3 ALA 93 3HB ALA 93 11.510 1.289 -2.919 704 H MET 94 H MET 94 11.079 3.675 -2.984 705 HA MET 94 HA MET 94 10.901 4.552 -5.739 706 HB2 MET 94 1HB MET 94 10.317 6.221 -3.239 707 HB3 MET 94 2HB MET 94 10.742 6.973 -4.764 708 HG2 MET 94 1HG MET 94 8.803 5.614 -5.817 709 HG3 MET 94 2HG MET 94 8.312 5.223 -4.181 710 HE1 MET 94 1HE MET 94 8.140 9.017 -2.787 711 HE2 MET 94 2HE MET 94 8.212 7.309 -2.292 712 HE3 MET 94 3HE MET 94 9.644 8.091 -3.004 713 H THR 95 H THR 95 12.865 5.265 -6.552 714 HA THR 95 HA THR 95 15.012 5.646 -4.569 715 HB THR 95 HB THR 95 16.353 4.742 -6.737 716 HG1 THR 95 1HG THR 95 14.776 4.109 -8.161 717 HG21 THR 95 1HG2 THR 95 16.715 3.119 -5.159 718 HG22 THR 95 2HG2 THR 95 15.137 3.424 -4.396 719 HG23 THR 95 3HG2 THR 95 15.253 2.323 -5.790 720 H SER 96 H SER 96 17.004 6.510 -6.332 721 HA SER 96 HA SER 96 16.079 9.179 -6.683 722 HB2 SER 96 1HB SER 96 18.391 9.731 -7.073 723 HB3 SER 96 2HB SER 96 18.360 8.546 -5.782 724 HG SER 96 HG SER 96 19.133 8.197 -8.530 725 H LYS 97 H LYS 97 15.523 6.526 -8.485 726 HA LYS 97 HA LYS 97 15.975 7.923 -11.030 727 HB2 LYS 97 1HB LYS 97 16.919 6.066 -11.796 728 HB3 LYS 97 2HB LYS 97 16.762 5.332 -10.213 729 HG2 LYS 97 1HG LYS 97 15.582 3.830 -11.603 730 HG3 LYS 97 2HG LYS 97 14.300 4.799 -10.906 731 HD2 LYS 97 1HD LYS 97 15.020 6.279 -13.167 732 HD3 LYS 97 2HD LYS 97 15.209 4.626 -13.718 733 HE2 LYS 97 1HE LYS 97 12.930 4.093 -13.342 734 HE3 LYS 97 2HE LYS 97 12.710 5.391 -12.185 735 HZ1 LYS 97 1HZ LYS 97 13.018 5.657 -15.090 736 HZ2 LYS 97 2HZ LYS 97 11.710 6.039 -14.190 737 HZ3 LYS 97 3HZ LYS 97 13.071 6.933 -14.073 738 H GLY 98 H GLY 98 13.713 6.051 -8.965 739 HA2 GLY 98 1HA GLY 98 11.446 7.415 -9.522 740 HA3 GLY 98 2HA GLY 98 11.548 6.289 -10.861 741 H GLN 99 H GLN 99 9.635 5.162 -10.124 742 HA GLN 99 HA GLN 99 9.973 3.793 -7.587 743 HB2 GLN 99 1HB GLN 99 7.858 5.074 -7.994 744 HB3 GLN 99 2HB GLN 99 7.504 4.037 -9.362 745 HG2 GLN 99 1HG GLN 99 7.990 2.165 -7.377 746 HG3 GLN 99 2HG GLN 99 7.276 3.469 -6.449 747 HE21 GLN 99 1HE2 GLN 99 5.170 4.055 -6.737 748 HE22 GLN 99 2HE2 GLN 99 4.026 3.149 -7.670 749 H GLY 100 H GLY 100 9.800 1.479 -7.427 750 HA2 GLY 100 1HA GLY 100 10.351 0.112 -9.984 751 HA3 GLY 100 2HA GLY 100 10.898 -0.398 -8.400 752 H GLN 101 H GLN 101 9.948 -2.498 -8.568 753 HA GLN 101 HA GLN 101 7.447 -3.068 -9.410 754 HB2 GLN 101 1HB GLN 101 9.531 -4.460 -8.219 755 HB3 GLN 101 2HB GLN 101 8.267 -4.613 -7.016 756 HG2 GLN 101 1HG GLN 101 7.145 -6.120 -8.288 757 HG3 GLN 101 2HG GLN 101 7.118 -5.023 -9.655 758 HE21 GLN 101 1HE2 GLN 101 8.754 -5.061 -11.191 759 HE22 GLN 101 2HE2 GLN 101 9.834 -6.401 -11.385 760 H VAL 102 H VAL 102 5.731 -4.142 -7.662 761 HA VAL 102 HA VAL 102 5.369 -2.338 -5.422 762 HB VAL 102 HB VAL 102 4.269 -1.576 -7.748 763 HG11 VAL 102 1HG1 VAL 102 2.944 -3.866 -7.568 764 HG12 VAL 102 2HG1 VAL 102 1.885 -2.903 -6.510 765 HG13 VAL 102 3HG1 VAL 102 2.166 -2.391 -8.192 766 HG21 VAL 102 1HG2 VAL 102 2.364 -1.070 -5.601 767 HG22 VAL 102 2HG2 VAL 102 4.047 -0.887 -5.051 768 HG23 VAL 102 3HG2 VAL 102 3.459 0.052 -6.444 769 H SER 103 H SER 103 4.173 -3.287 -3.740 770 HA SER 103 HA SER 103 3.558 -6.086 -4.249 771 HB2 SER 103 1HB SER 103 4.561 -4.568 -1.848 772 HB3 SER 103 2HB SER 103 3.583 -5.994 -1.562 773 HG SER 103 HG SER 103 6.077 -6.158 -1.831 774 H ALA 104 H ALA 104 1.386 -6.219 -4.781 775 HA ALA 104 HA ALA 104 -0.469 -4.586 -3.205 776 HB1 ALA 104 1HB ALA 104 -0.251 -4.763 -5.886 777 HB2 ALA 104 2HB ALA 104 -1.349 -6.136 -5.606 778 HB3 ALA 104 3HB ALA 104 -1.810 -4.504 -5.066 779 H SER 105 H SER 105 -1.479 -5.574 -1.536 780 HA SER 105 HA SER 105 -1.848 -8.457 -1.799 781 HB2 SER 105 1HB SER 105 -0.506 -6.948 0.248 782 HB3 SER 105 2HB SER 105 -1.957 -7.621 0.964 783 HG SER 105 HG SER 105 0.065 -9.106 -0.490 784 H THR 106 H THR 106 -3.951 -9.213 -1.565 785 HA THR 106 HA THR 106 -6.030 -7.242 -1.359 786 HB THR 106 HB THR 106 -6.556 -10.209 -1.338 787 HG1 THR 106 1HG THR 106 -5.009 -10.347 -2.926 788 HG21 THR 106 1HG2 THR 106 -7.631 -7.710 -2.646 789 HG22 THR 106 2HG2 THR 106 -7.760 -9.235 -3.556 790 HG23 THR 106 3HG2 THR 106 -8.518 -9.088 -1.952 791 H ILE 107 H ILE 107 -7.328 -6.732 0.326 792 HA ILE 107 HA ILE 107 -7.292 -8.469 2.648 793 HB ILE 107 HB ILE 107 -5.451 -7.131 3.207 794 HG12 ILE 107 1HG1 ILE 107 -6.403 -5.633 5.061 795 HG13 ILE 107 2HG1 ILE 107 -7.988 -6.152 4.524 796 HG21 ILE 107 1HG2 ILE 107 -6.967 -4.969 1.850 797 HG22 ILE 107 2HG2 ILE 107 -5.958 -4.497 3.238 798 HG23 ILE 107 3HG2 ILE 107 -5.225 -5.335 1.849 799 HD11 ILE 107 1HD1 ILE 107 -6.764 -7.508 6.421 800 HD12 ILE 107 2HD1 ILE 107 -7.620 -8.398 5.139 801 HD13 ILE 107 3HD1 ILE 107 -5.850 -8.226 5.073 802 H SER 108 H SER 108 -9.295 -8.588 3.563 803 HA SER 108 HA SER 108 -11.254 -6.771 2.434 804 HB2 SER 108 1HB SER 108 -11.999 -8.968 2.083 805 HB3 SER 108 2HB SER 108 -11.356 -9.547 3.607 806 HG SER 108 HG SER 108 -13.845 -9.040 3.216 807 H SER 109 H SER 109 -11.985 -5.087 3.678 808 HA SER 109 HA SER 109 -11.077 -4.359 6.033 809 HB2 SER 109 1HB SER 109 -13.283 -3.160 6.396 810 HB3 SER 109 2HB SER 109 -12.568 -2.917 4.814 811 HG SER 109 HG SER 109 -14.851 -3.385 4.672 812 H GLY 110 H GLY 110 -11.610 -4.616 8.289 813 HA2 GLY 110 1HA GLY 110 -12.291 -7.215 9.088 814 HA3 GLY 110 2HA GLY 110 -12.167 -5.801 10.115 815 H VAL 111 H VAL 111 -14.054 -4.463 10.515 816 HA VAL 111 HA VAL 111 -16.527 -4.892 9.322 817 HB VAL 111 HB VAL 111 -16.479 -7.095 10.268 818 HG11 VAL 111 1HG1 VAL 111 -14.808 -6.718 12.030 819 HG12 VAL 111 2HG1 VAL 111 -15.995 -5.774 12.961 820 HG13 VAL 111 3HG1 VAL 111 -16.264 -7.511 12.677 821 HG21 VAL 111 1HG2 VAL 111 -18.322 -5.133 11.642 822 HG22 VAL 111 2HG2 VAL 111 -18.665 -6.228 10.282 823 HG23 VAL 111 3HG2 VAL 111 -18.443 -6.886 11.921 824 HA PRO 112 HA PRO 112 -16.981 -1.253 11.619 825 HB2 PRO 112 1HB PRO 112 -19.610 -0.697 11.121 826 HB3 PRO 112 2HB PRO 112 -18.321 -0.320 9.996 827 HG2 PRO 112 1HG PRO 112 -20.321 -2.493 9.863 828 HG3 PRO 112 2HG PRO 112 -19.320 -1.842 8.580 829 HD2 PRO 112 1HD PRO 112 -18.922 -4.313 9.981 830 HD3 PRO 112 2HD PRO 112 -17.860 -3.606 8.780 831 HA PRO 113 HA PRO 113 -18.377 -2.630 15.423 832 HB2 PRO 113 1HB PRO 113 -17.402 -0.593 16.961 833 HB3 PRO 113 2HB PRO 113 -16.445 -1.986 16.497 834 HG2 PRO 113 1HG PRO 113 -16.331 0.775 15.445 835 HG3 PRO 113 2HG PRO 113 -15.135 -0.500 15.315 836 HD2 PRO 113 1HD PRO 113 -16.935 0.381 13.262 837 HD3 PRO 113 2HD PRO 113 -15.820 -0.968 13.171 838 H SER 114 H SER 114 -19.665 -1.796 17.375 839 HA SER 114 HA SER 114 -21.152 0.524 16.910 840 HB2 SER 114 1HB SER 114 -22.077 -1.676 15.424 841 HB3 SER 114 2HB SER 114 -23.129 -1.653 16.825 842 HG SER 114 HG SER 114 -22.613 0.840 15.544 843 H GLY 115 H GLY 115 -21.418 1.191 19.006 844 HA2 GLY 115 1HA GLY 115 -21.734 1.135 21.230 845 HA3 GLY 115 2HA GLY 115 -22.875 -0.161 20.928 846 HA PRO 116 HA PRO 116 -19.211 -1.808 23.186 847 HB2 PRO 116 1HB PRO 116 -20.311 -2.203 25.657 848 HB3 PRO 116 2HB PRO 116 -19.360 -0.789 25.246 849 HG2 PRO 116 1HG PRO 116 -22.289 -1.022 25.571 850 HG3 PRO 116 2HG PRO 116 -21.294 0.420 25.585 851 HD2 PRO 116 1HD PRO 116 -22.957 -0.498 23.435 852 HD3 PRO 116 2HD PRO 116 -21.875 0.880 23.408 853 H SER 117 H SER 117 -19.524 -3.468 21.609 854 HA SER 117 HA SER 117 -21.509 -5.398 22.322 855 HB2 SER 117 1HB SER 117 -20.519 -6.628 20.299 856 HB3 SER 117 2HB SER 117 -21.247 -5.067 19.978 857 HG SER 117 HG SER 117 -18.785 -5.824 19.341 858 H SER 118 H SER 118 -20.787 -7.828 22.348 859 HA SER 118 HA SER 118 -18.379 -7.955 23.985 860 HB2 SER 118 1HB SER 118 -21.060 -8.993 24.350 861 HB3 SER 118 2HB SER 118 -19.941 -10.340 24.273 862 HG SER 118 HG SER 118 -20.011 -9.690 26.430 863 H GLY 119 H GLY 119 -17.029 -8.143 22.031 864 HA2 GLY 119 1HA GLY 119 -17.371 -10.711 20.605 865 HA3 GLY 119 2HA GLY 119 -16.625 -9.270 19.942 Start of MODEL 9 1 H1 GLY 1 H GLY 1 21.958 -5.991 -2.662 2 HA2 GLY 1 1HA GLY 1 21.744 -7.503 -4.816 3 HA3 GLY 1 2HA GLY 1 23.296 -7.206 -4.059 4 H SER 2 H SER 2 24.471 -8.936 -3.308 5 HA SER 2 HA SER 2 23.334 -11.506 -3.683 6 HB2 SER 2 1HB SER 2 25.553 -12.343 -3.196 7 HB3 SER 2 2HB SER 2 25.727 -10.917 -4.199 8 HG SER 2 HG SER 2 26.591 -9.781 -2.544 9 H SER 3 H SER 3 22.362 -12.796 -2.145 10 HA SER 3 HA SER 3 23.130 -12.595 0.570 11 HB2 SER 3 1HB SER 3 20.439 -11.496 -0.317 12 HB3 SER 3 2HB SER 3 20.680 -12.109 1.307 13 HG SER 3 HG SER 3 22.087 -9.924 0.034 14 H GLY 4 H GLY 4 23.501 -14.845 0.450 15 HA2 GLY 4 1HA GLY 4 22.986 -17.031 0.523 16 HA3 GLY 4 2HA GLY 4 21.341 -16.564 0.908 17 H SER 5 H SER 5 20.053 -17.804 -0.415 18 HA SER 5 HA SER 5 20.061 -17.190 -3.160 19 HB2 SER 5 1HB SER 5 20.429 -19.553 -3.971 20 HB3 SER 5 2HB SER 5 21.870 -18.782 -3.337 21 HG SER 5 HG SER 5 20.360 -20.945 -2.291 22 H SER 6 H SER 6 17.982 -17.551 -3.987 23 HA SER 6 HA SER 6 16.326 -19.588 -3.194 24 HB2 SER 6 1HB SER 6 14.680 -18.416 -1.761 25 HB3 SER 6 2HB SER 6 16.248 -18.509 -0.985 26 HG SER 6 HG SER 6 16.012 -16.391 -0.744 27 H GLY 7 H GLY 7 14.182 -19.412 -4.255 28 HA2 GLY 7 1HA GLY 7 12.642 -17.990 -5.467 29 HA3 GLY 7 2HA GLY 7 14.017 -17.130 -6.131 30 HA PRO 8 HA PRO 8 12.868 -20.826 -8.740 31 HB2 PRO 8 1HB PRO 8 11.075 -19.788 -10.522 32 HB3 PRO 8 2HB PRO 8 10.598 -20.709 -9.109 33 HG2 PRO 8 1HG PRO 8 10.439 -17.792 -9.561 34 HG3 PRO 8 2HG PRO 8 9.600 -18.766 -8.370 35 HD2 PRO 8 1HD PRO 8 11.866 -17.068 -7.910 36 HD3 PRO 8 2HD PRO 8 11.099 -18.130 -6.746 37 H GLN 9 H GLN 9 12.789 -17.558 -10.093 38 HA GLN 9 HA GLN 9 14.004 -18.109 -12.427 39 HB2 GLN 9 1HB GLN 9 14.716 -15.752 -12.457 40 HB3 GLN 9 2HB GLN 9 13.102 -15.893 -11.789 41 HG2 GLN 9 1HG GLN 9 15.401 -16.018 -9.851 42 HG3 GLN 9 2HG GLN 9 15.055 -14.461 -10.577 43 HE21 GLN 9 1HE2 GLN 9 14.796 -15.192 -7.835 44 HE22 GLN 9 2HE2 GLN 9 13.139 -15.005 -7.365 45 H LEU 10 H LEU 10 16.270 -17.804 -13.203 46 HA LEU 10 HA LEU 10 18.214 -18.427 -11.092 47 HB2 LEU 10 1HB LEU 10 17.370 -20.055 -13.278 48 HB3 LEU 10 2HB LEU 10 19.027 -19.566 -13.569 49 HG LEU 10 HG LEU 10 18.714 -20.412 -10.819 50 HD11 LEU 10 1HD1 LEU 10 18.163 -22.654 -12.745 51 HD12 LEU 10 2HD1 LEU 10 17.954 -22.596 -10.978 52 HD13 LEU 10 3HD1 LEU 10 16.829 -21.712 -12.038 53 HD21 LEU 10 1HD2 LEU 10 20.782 -21.173 -11.169 54 HD22 LEU 10 2HD2 LEU 10 20.290 -22.121 -12.593 55 HD23 LEU 10 3HD2 LEU 10 20.670 -20.390 -12.764 56 H VAL 11 H VAL 11 18.914 -16.269 -10.905 57 HA VAL 11 HA VAL 11 20.142 -14.502 -11.404 58 HB VAL 11 HB VAL 11 21.128 -16.330 -13.596 59 HG11 VAL 11 1HG1 VAL 11 21.587 -13.484 -13.224 60 HG12 VAL 11 2HG1 VAL 11 23.102 -14.408 -13.082 61 HG13 VAL 11 3HG1 VAL 11 22.102 -14.557 -14.547 62 HG21 VAL 11 1HG2 VAL 11 22.800 -15.504 -11.266 63 HG22 VAL 11 2HG2 VAL 11 21.476 -16.654 -10.962 64 HG23 VAL 11 3HG2 VAL 11 22.742 -17.049 -12.149 65 H ARG 12 H ARG 12 18.562 -12.980 -11.836 66 HA ARG 12 HA ARG 12 18.279 -12.342 -14.601 67 HB2 ARG 12 1HB ARG 12 16.201 -13.813 -13.235 68 HB3 ARG 12 2HB ARG 12 15.600 -12.190 -13.510 69 HG2 ARG 12 1HG ARG 12 15.012 -13.212 -15.528 70 HG3 ARG 12 2HG ARG 12 16.567 -12.527 -15.956 71 HD2 ARG 12 1HD ARG 12 17.583 -14.589 -16.127 72 HD3 ARG 12 2HD ARG 12 16.736 -15.239 -14.738 73 HE ARG 12 HE ARG 12 14.870 -14.839 -16.894 74 HH11 ARG 12 2HH2 ARG 12 17.505 -16.952 -15.904 75 HH12 ARG 12 1HH2 ARG 12 16.925 -18.311 -16.808 76 HH21 ARG 12 2HH1 ARG 12 14.104 -16.632 -18.086 77 HH22 ARG 12 1HH1 ARG 12 14.978 -18.128 -18.058 78 H THR 13 H THR 13 18.656 -10.148 -14.636 79 HA THR 13 HA THR 13 17.451 -8.534 -12.501 80 HB THR 13 HB THR 13 19.900 -9.060 -12.022 81 HG1 THR 13 1HG THR 13 19.500 -7.053 -11.171 82 HG21 THR 13 1HG2 THR 13 20.127 -8.041 -14.802 83 HG22 THR 13 2HG2 THR 13 21.184 -7.190 -13.650 84 HG23 THR 13 3HG2 THR 13 21.310 -8.956 -13.837 85 H HIS 14 H HIS 14 17.049 -6.310 -13.069 86 HA HIS 14 HA HIS 14 17.610 -5.250 -15.552 87 HB2 HIS 14 1HB HIS 14 15.656 -7.264 -15.758 88 HB3 HIS 14 2HB HIS 14 14.767 -5.755 -15.834 89 HD1 HIS 14 1HD HIS 14 14.313 -6.527 -18.391 90 HD2 HIS 14 2HD HIS 14 18.253 -5.438 -17.447 91 HE1 HIS 14 1HE HIS 14 15.493 -6.116 -20.615 92 H GLU 15 H GLU 15 16.178 -3.240 -15.974 93 HA GLU 15 HA GLU 15 15.330 -1.373 -15.265 94 HB2 GLU 15 1HB GLU 15 13.992 -3.272 -13.328 95 HB3 GLU 15 2HB GLU 15 13.766 -1.545 -13.133 96 HG2 GLU 15 1HG GLU 15 12.209 -1.561 -14.777 97 HG3 GLU 15 2HG GLU 15 13.423 -2.091 -15.923 98 H ASP 16 H ASP 16 15.836 0.419 -13.867 99 HA ASP 16 HA ASP 16 18.134 -0.113 -12.269 100 HB2 ASP 16 1HB ASP 16 17.742 1.915 -13.821 101 HB3 ASP 16 2HB ASP 16 16.642 2.526 -12.602 102 H VAL 17 H VAL 17 14.760 1.166 -11.881 103 HA VAL 17 HA VAL 17 14.835 1.840 -9.222 104 HB VAL 17 HB VAL 17 12.339 1.125 -9.369 105 HG11 VAL 17 1HG1 VAL 17 11.900 3.139 -10.892 106 HG12 VAL 17 2HG1 VAL 17 12.878 3.422 -9.432 107 HG13 VAL 17 3HG1 VAL 17 13.669 3.281 -11.021 108 HG21 VAL 17 1HG2 VAL 17 13.004 -0.327 -11.471 109 HG22 VAL 17 2HG2 VAL 17 11.438 0.517 -11.403 110 HG23 VAL 17 3HG2 VAL 17 12.786 1.213 -12.335 111 HA PRO 18 HA PRO 18 14.962 -1.872 -7.015 112 HB2 PRO 18 1HB PRO 18 13.329 -1.429 -4.869 113 HB3 PRO 18 2HB PRO 18 14.959 -0.796 -4.980 114 HG2 PRO 18 1HG PRO 18 12.391 0.630 -5.311 115 HG3 PRO 18 2HG PRO 18 13.982 1.293 -4.996 116 HD2 PRO 18 1HD PRO 18 12.592 1.283 -7.505 117 HD3 PRO 18 2HD PRO 18 14.228 1.841 -7.215 118 H GLY 19 H GLY 19 13.584 -3.641 -5.763 119 HA2 GLY 19 1HA GLY 19 11.595 -4.417 -7.767 120 HA3 GLY 19 2HA GLY 19 12.356 -5.444 -6.569 121 HA PRO 20 HA PRO 20 8.294 -4.503 -4.870 122 HB2 PRO 20 1HB PRO 20 7.653 -7.048 -4.109 123 HB3 PRO 20 2HB PRO 20 7.200 -6.369 -5.659 124 HG2 PRO 20 1HG PRO 20 9.319 -8.336 -5.046 125 HG3 PRO 20 2HG PRO 20 8.574 -7.970 -6.590 126 HD2 PRO 20 1HD PRO 20 11.165 -7.128 -5.692 127 HD3 PRO 20 2HD PRO 20 10.373 -6.667 -7.185 128 H VAL 21 H VAL 21 7.995 -3.636 -2.913 129 HA VAL 21 HA VAL 21 10.008 -3.793 -1.042 130 HB VAL 21 HB VAL 21 8.235 -2.918 0.520 131 HG11 VAL 21 1HG1 VAL 21 8.226 -0.778 -0.466 132 HG12 VAL 21 2HG1 VAL 21 9.693 -1.561 -1.100 133 HG13 VAL 21 3HG1 VAL 21 8.237 -1.441 -2.118 134 HG21 VAL 21 1HG2 VAL 21 6.238 -2.253 -1.375 135 HG22 VAL 21 2HG2 VAL 21 6.514 -4.006 -1.517 136 HG23 VAL 21 3HG2 VAL 21 6.087 -3.297 0.059 137 H GLY 22 H GLY 22 9.146 -4.478 1.434 138 HA2 GLY 22 1HA GLY 22 9.496 -7.231 1.544 139 HA3 GLY 22 2HA GLY 22 8.880 -6.215 2.833 140 H HIS 23 H HIS 23 7.563 -8.227 3.312 141 HA HIS 23 HA HIS 23 5.481 -8.829 1.438 142 HB2 HIS 23 1HB HIS 23 5.164 -10.703 2.651 143 HB3 HIS 23 2HB HIS 23 6.768 -10.324 3.247 144 HD1 HIS 23 1HD HIS 23 3.600 -11.315 4.485 145 HD2 HIS 23 2HD HIS 23 6.441 -8.493 5.733 146 HE1 HIS 23 1HE HIS 23 3.113 -10.851 6.947 147 H LEU 24 H LEU 24 3.453 -7.962 1.366 148 HA LEU 24 HA LEU 24 2.875 -5.656 2.803 149 HB2 LEU 24 1HB LEU 24 1.571 -7.400 0.856 150 HB3 LEU 24 2HB LEU 24 0.438 -6.660 1.969 151 HG LEU 24 HG LEU 24 0.911 -5.445 -0.222 152 HD11 LEU 24 1HD1 LEU 24 1.401 -3.255 1.467 153 HD12 LEU 24 2HD1 LEU 24 -0.173 -3.877 0.914 154 HD13 LEU 24 3HD1 LEU 24 0.516 -4.442 2.456 155 HD21 LEU 24 1HD2 LEU 24 3.505 -5.798 0.285 156 HD22 LEU 24 2HD2 LEU 24 2.892 -4.423 -0.665 157 HD23 LEU 24 3HD2 LEU 24 3.300 -4.206 1.054 158 H SER 25 H SER 25 1.688 -5.215 4.662 159 HA SER 25 HA SER 25 0.614 -7.523 6.046 160 HB2 SER 25 1HB SER 25 2.964 -7.044 6.878 161 HB3 SER 25 2HB SER 25 2.411 -5.466 7.401 162 HG SER 25 HG SER 25 0.959 -7.777 8.264 163 H PHE 26 H PHE 26 -1.116 -6.976 7.551 164 HA PHE 26 HA PHE 26 -1.913 -4.167 7.521 165 HB2 PHE 26 1HB PHE 26 -3.667 -6.632 6.948 166 HB3 PHE 26 2HB PHE 26 -4.254 -4.981 7.006 167 HD1 PHE 26 2HD PHE 26 -2.151 -3.566 5.475 168 HD2 PHE 26 1HD PHE 26 -4.034 -7.299 4.750 169 HE1 PHE 26 2HE PHE 26 -1.696 -3.318 3.019 170 HE2 PHE 26 1HE PHE 26 -3.579 -7.051 2.294 171 HZ PHE 26 HZ PHE 26 -2.416 -5.063 1.458 172 H SER 27 H SER 27 -2.532 -3.457 9.519 173 HA SER 27 HA SER 27 -3.441 -5.489 11.386 174 HB2 SER 27 1HB SER 27 -1.426 -3.303 12.069 175 HB3 SER 27 2HB SER 27 -2.072 -4.488 13.187 176 HG SER 27 HG SER 27 -1.153 -6.086 11.443 177 H GLU 28 H GLU 28 -4.311 -4.228 13.499 178 HA GLU 28 HA GLU 28 -6.083 -3.095 14.141 179 HB2 GLU 28 1HB GLU 28 -4.277 -0.896 13.061 180 HB3 GLU 28 2HB GLU 28 -5.706 -0.556 14.015 181 HG2 GLU 28 1HG GLU 28 -4.147 -2.630 15.332 182 HG3 GLU 28 2HG GLU 28 -3.103 -1.273 14.960 183 H ILE 29 H ILE 29 -6.961 -4.300 11.932 184 HA ILE 29 HA ILE 29 -7.884 -2.333 10.023 185 HB ILE 29 HB ILE 29 -8.414 -5.302 10.164 186 HG12 ILE 29 1HG1 ILE 29 -6.073 -3.742 9.137 187 HG13 ILE 29 2HG1 ILE 29 -6.112 -5.272 9.991 188 HG21 ILE 29 1HG2 ILE 29 -9.745 -3.480 8.675 189 HG22 ILE 29 2HG2 ILE 29 -8.388 -3.851 7.584 190 HG23 ILE 29 3HG2 ILE 29 -9.447 -5.159 8.166 191 HD11 ILE 29 1HD1 ILE 29 -7.458 -6.031 7.767 192 HD12 ILE 29 2HD1 ILE 29 -6.487 -4.712 7.070 193 HD13 ILE 29 3HD1 ILE 29 -5.682 -6.083 7.871 194 H LEU 30 H LEU 30 -9.932 -1.484 9.900 195 HA LEU 30 HA LEU 30 -11.763 -2.366 12.021 196 HB2 LEU 30 1HB LEU 30 -11.374 0.342 10.745 197 HB3 LEU 30 2HB LEU 30 -12.721 -0.058 11.791 198 HG LEU 30 HG LEU 30 -11.101 1.116 13.087 199 HD11 LEU 30 1HD1 LEU 30 -10.562 -1.705 13.952 200 HD12 LEU 30 2HD1 LEU 30 -10.962 -0.268 14.924 201 HD13 LEU 30 3HD1 LEU 30 -12.227 -1.075 13.966 202 HD21 LEU 30 1HD2 LEU 30 -8.974 -0.938 12.520 203 HD22 LEU 30 2HD2 LEU 30 -9.195 0.482 11.470 204 HD23 LEU 30 3HD2 LEU 30 -8.812 0.701 13.194 205 H ASP 31 H ASP 31 -13.351 -0.215 10.024 206 HA ASP 31 HA ASP 31 -14.442 -2.447 8.504 207 HB2 ASP 31 1HB ASP 31 -16.512 -1.048 8.339 208 HB3 ASP 31 2HB ASP 31 -16.086 -1.426 9.997 209 H THR 32 H THR 32 -13.074 0.842 8.482 210 HA THR 32 HA THR 32 -12.782 0.682 5.592 211 HB THR 32 HB THR 32 -13.821 2.878 5.244 212 HG1 THR 32 1HG THR 32 -14.348 4.101 7.091 213 HG21 THR 32 1HG2 THR 32 -15.669 1.426 7.197 214 HG22 THR 32 2HG2 THR 32 -16.133 2.460 5.824 215 HG23 THR 32 3HG2 THR 32 -15.418 0.856 5.530 216 H SER 33 H SER 33 -11.203 0.611 8.275 217 HA SER 33 HA SER 33 -9.164 2.378 7.249 218 HB2 SER 33 1HB SER 33 -8.705 3.051 9.735 219 HB3 SER 33 2HB SER 33 -9.976 3.879 8.858 220 HG SER 33 HG SER 33 -11.550 2.537 9.879 221 H LEU 34 H LEU 34 -7.145 1.399 7.354 222 HA LEU 34 HA LEU 34 -6.666 -0.622 9.358 223 HB2 LEU 34 1HB LEU 34 -6.047 -2.341 7.733 224 HB3 LEU 34 2HB LEU 34 -7.758 -1.965 7.718 225 HG LEU 34 HG LEU 34 -7.159 -0.400 5.716 226 HD11 LEU 34 1HD1 LEU 34 -4.674 -2.053 6.014 227 HD12 LEU 34 2HD1 LEU 34 -5.238 -1.580 4.394 228 HD13 LEU 34 3HD1 LEU 34 -4.859 -0.330 5.604 229 HD21 LEU 34 1HD2 LEU 34 -8.331 -2.792 5.875 230 HD22 LEU 34 2HD2 LEU 34 -7.985 -1.993 4.323 231 HD23 LEU 34 3HD2 LEU 34 -6.895 -3.261 4.933 232 H LYS 35 H LYS 35 -4.385 -1.102 9.590 233 HA LYS 35 HA LYS 35 -2.771 1.080 8.524 234 HB2 LYS 35 1HB LYS 35 -2.953 0.571 11.014 235 HB3 LYS 35 2HB LYS 35 -2.033 -0.886 10.702 236 HG2 LYS 35 1HG LYS 35 -0.697 1.305 9.376 237 HG3 LYS 35 2HG LYS 35 -1.056 1.809 11.016 238 HD2 LYS 35 1HD LYS 35 1.045 0.738 11.231 239 HD3 LYS 35 2HD LYS 35 -0.085 -0.495 11.754 240 HE2 LYS 35 1HE LYS 35 0.443 -0.490 8.822 241 HE3 LYS 35 2HE LYS 35 1.848 -0.854 9.804 242 HZ1 LYS 35 1HZ LYS 35 -0.418 -2.222 10.758 243 HZ2 LYS 35 2HZ LYS 35 -0.180 -2.556 9.178 244 HZ3 LYS 35 3HZ LYS 35 1.014 -2.827 10.258 245 H VAL 36 H VAL 36 -1.297 0.778 6.931 246 HA VAL 36 HA VAL 36 -0.883 -1.984 6.069 247 HB VAL 36 HB VAL 36 -0.490 0.686 4.707 248 HG11 VAL 36 1HG1 VAL 36 1.149 -1.281 4.143 249 HG12 VAL 36 2HG1 VAL 36 -0.256 -1.952 3.282 250 HG13 VAL 36 3HG1 VAL 36 0.385 -0.354 2.830 251 HG21 VAL 36 1HG2 VAL 36 -2.407 0.219 3.453 252 HG22 VAL 36 2HG2 VAL 36 -2.369 -1.515 3.855 253 HG23 VAL 36 3HG2 VAL 36 -2.846 -0.325 5.090 254 H SER 37 H SER 37 1.150 -2.932 6.012 255 HA SER 37 HA SER 37 3.365 -1.223 6.776 256 HB2 SER 37 1HB SER 37 3.907 -3.620 8.111 257 HB3 SER 37 2HB SER 37 3.403 -2.115 8.854 258 HG SER 37 HG SER 37 1.346 -3.748 7.764 259 H TRP 38 H TRP 38 5.394 -1.899 5.892 260 HA TRP 38 HA TRP 38 5.461 -4.422 4.462 261 HB2 TRP 38 1HB TRP 38 6.158 -3.399 2.365 262 HB3 TRP 38 2HB TRP 38 4.513 -2.973 2.792 263 HD1 TRP 38 HD TRP 38 8.010 -1.368 2.494 264 HE1 TRP 38 1HE TRP 38 7.845 1.264 2.392 265 HE3 TRP 38 3HE TRP 38 3.031 -1.116 3.497 266 HZ2 TRP 38 2HZ TRP 38 5.699 3.114 2.736 267 HZ3 TRP 38 3HZ TRP 38 1.979 1.141 3.596 268 HH2 TRP 38 HH TRP 38 3.229 3.210 3.235 269 H GLN 39 H GLN 39 7.853 -4.472 3.375 270 HA GLN 39 HA GLN 39 9.634 -3.226 5.319 271 HB2 GLN 39 1HB GLN 39 9.197 -6.052 4.785 272 HB3 GLN 39 2HB GLN 39 10.854 -5.632 4.400 273 HG2 GLN 39 1HG GLN 39 11.221 -4.707 6.629 274 HG3 GLN 39 2HG GLN 39 9.517 -4.826 7.022 275 HE21 GLN 39 1HE2 GLN 39 11.429 -5.926 8.630 276 HE22 GLN 39 2HE2 GLN 39 11.347 -7.656 8.600 277 H GLU 40 H GLU 40 12.098 -3.726 4.323 278 HA GLU 40 HA GLU 40 12.051 -2.191 1.932 279 HB2 GLU 40 1HB GLU 40 13.955 -2.852 4.027 280 HB3 GLU 40 2HB GLU 40 14.698 -3.110 2.461 281 HG2 GLU 40 1HG GLU 40 14.351 -0.847 1.782 282 HG3 GLU 40 2HG GLU 40 13.126 -0.569 3.004 283 HA PRO 41 HA PRO 41 12.425 -5.520 -0.833 284 HB2 PRO 41 1HB PRO 41 13.363 -4.227 -3.051 285 HB3 PRO 41 2HB PRO 41 11.672 -4.236 -2.590 286 HG2 PRO 41 1HG PRO 41 13.649 -2.053 -2.337 287 HG3 PRO 41 2HG PRO 41 11.900 -1.961 -2.288 288 HD2 PRO 41 1HD PRO 41 13.688 -1.832 -0.049 289 HD3 PRO 41 2HD PRO 41 11.937 -1.856 0.008 290 H GLY 42 H GLY 42 13.815 -7.035 -1.856 291 HA2 GLY 42 1HA GLY 42 16.435 -6.952 -0.650 292 HA3 GLY 42 2HA GLY 42 15.741 -8.228 -1.630 293 H GLU 43 H GLU 43 14.951 -5.996 -3.694 294 HA GLU 43 HA GLU 43 17.591 -5.958 -4.920 295 HB2 GLU 43 1HB GLU 43 15.840 -5.334 -6.954 296 HB3 GLU 43 2HB GLU 43 16.425 -6.948 -6.602 297 HG2 GLU 43 1HG GLU 43 13.929 -5.782 -5.290 298 HG3 GLU 43 2HG GLU 43 13.872 -6.686 -6.790 299 H LYS 44 H LYS 44 17.192 -4.035 -2.956 300 HA LYS 44 HA LYS 44 15.969 -1.711 -3.485 301 HB2 LYS 44 1HB LYS 44 18.748 -2.134 -2.352 302 HB3 LYS 44 2HB LYS 44 17.875 -0.617 -2.272 303 HG2 LYS 44 1HG LYS 44 15.963 -1.871 -1.130 304 HG3 LYS 44 2HG LYS 44 16.999 -3.283 -1.071 305 HD2 LYS 44 1HD LYS 44 18.646 -2.099 0.309 306 HD3 LYS 44 2HD LYS 44 17.787 -0.583 0.117 307 HE2 LYS 44 1HE LYS 44 16.825 -1.158 2.122 308 HE3 LYS 44 2HE LYS 44 15.760 -2.124 1.121 309 HZ1 LYS 44 1HZ LYS 44 16.559 -3.900 2.108 310 HZ2 LYS 44 2HZ LYS 44 18.068 -3.587 1.566 311 HZ3 LYS 44 3HZ LYS 44 17.583 -3.004 3.012 312 H ASN 45 H ASN 45 18.958 -2.954 -5.041 313 HA ASN 45 HA ASN 45 20.063 -2.316 -6.793 314 HB2 ASN 45 1HB ASN 45 17.276 -1.346 -7.456 315 HB3 ASN 45 2HB ASN 45 18.579 -0.841 -8.514 316 HD21 ASN 45 1HD2 ASN 45 16.360 -3.229 -7.790 317 HD22 ASN 45 2HD2 ASN 45 16.979 -4.535 -8.744 318 H GLY 46 H GLY 46 19.593 -0.417 -4.347 319 HA2 GLY 46 1HA GLY 46 21.358 1.540 -4.735 320 HA3 GLY 46 2HA GLY 46 19.943 2.228 -5.507 321 H ILE 47 H ILE 47 19.451 3.858 -4.018 322 HA ILE 47 HA ILE 47 18.768 2.891 -1.329 323 HB ILE 47 HB ILE 47 20.139 5.403 -2.232 324 HG12 ILE 47 1HG1 ILE 47 21.644 3.663 -1.635 325 HG13 ILE 47 2HG1 ILE 47 21.632 4.806 -0.306 326 HG21 ILE 47 1HG2 ILE 47 18.780 6.571 -0.880 327 HG22 ILE 47 2HG2 ILE 47 18.186 5.117 -0.042 328 HG23 ILE 47 3HG2 ILE 47 19.743 5.841 0.426 329 HD11 ILE 47 1HD1 ILE 47 20.601 2.000 -0.412 330 HD12 ILE 47 2HD1 ILE 47 21.347 2.889 0.938 331 HD13 ILE 47 3HD1 ILE 47 19.635 3.158 0.534 332 H LEU 48 H LEU 48 16.690 3.207 -0.672 333 HA LEU 48 HA LEU 48 14.886 4.331 -2.604 334 HB2 LEU 48 1HB LEU 48 14.093 3.424 0.135 335 HB3 LEU 48 2HB LEU 48 13.192 3.359 -1.366 336 HG LEU 48 HG LEU 48 13.697 1.145 -1.071 337 HD11 LEU 48 1HD1 LEU 48 15.095 2.432 -3.101 338 HD12 LEU 48 2HD1 LEU 48 16.291 1.333 -2.372 339 HD13 LEU 48 3HD1 LEU 48 14.746 0.691 -2.979 340 HD21 LEU 48 1HD2 LEU 48 15.161 0.350 0.409 341 HD22 LEU 48 2HD2 LEU 48 16.529 1.189 -0.360 342 HD23 LEU 48 3HD2 LEU 48 15.505 2.048 0.816 343 H THR 49 H THR 49 13.868 6.304 -2.539 344 HA THR 49 HA THR 49 14.712 8.067 -0.341 345 HB THR 49 HB THR 49 14.254 9.870 -2.048 346 HG1 THR 49 1HG THR 49 12.665 8.646 -3.269 347 HG21 THR 49 1HG2 THR 49 16.173 7.606 -2.622 348 HG22 THR 49 2HG2 THR 49 15.906 8.817 -3.899 349 HG23 THR 49 3HG2 THR 49 16.523 9.323 -2.307 350 H GLY 50 H GLY 50 12.196 6.081 -1.116 351 HA2 GLY 50 1HA GLY 50 10.440 7.011 0.751 352 HA3 GLY 50 2HA GLY 50 9.994 7.878 -0.705 353 H TYR 51 H TYR 51 7.984 6.392 0.015 354 HA TYR 51 HA TYR 51 8.117 4.074 -1.766 355 HB2 TYR 51 1HB TYR 51 6.979 4.272 1.093 356 HB3 TYR 51 2HB TYR 51 6.780 2.868 0.064 357 HD1 TYR 51 2HD TYR 51 8.847 1.551 -0.629 358 HD2 TYR 51 1HD TYR 51 8.937 4.564 2.407 359 HE1 TYR 51 2HE TYR 51 11.029 0.598 0.262 360 HE2 TYR 51 1HE TYR 51 11.118 3.601 3.289 361 HH TYR 51 HH TYR 51 12.647 0.829 1.674 362 H ARG 52 H ARG 52 6.386 3.966 -3.129 363 HA ARG 52 HA ARG 52 4.340 5.940 -2.689 364 HB2 ARG 52 1HB ARG 52 5.316 5.855 -4.933 365 HB3 ARG 52 2HB ARG 52 5.020 4.133 -5.057 366 HG2 ARG 52 1HG ARG 52 2.852 4.438 -5.704 367 HG3 ARG 52 2HG ARG 52 2.551 5.618 -4.444 368 HD2 ARG 52 1HD ARG 52 2.584 7.242 -6.032 369 HD3 ARG 52 2HD ARG 52 4.294 6.934 -6.256 370 HE ARG 52 HE ARG 52 2.674 4.996 -7.695 371 HH11 ARG 52 2HH2 ARG 52 3.934 8.279 -7.839 372 HH12 ARG 52 1HH2 ARG 52 3.882 8.360 -9.569 373 HH21 ARG 52 2HH1 ARG 52 2.606 5.102 -9.977 374 HH22 ARG 52 1HH1 ARG 52 3.121 6.540 -10.793 375 H ILE 53 H ILE 53 2.501 5.337 -1.589 376 HA ILE 53 HA ILE 53 1.753 2.507 -1.697 377 HB ILE 53 HB ILE 53 2.174 3.204 0.514 378 HG12 ILE 53 1HG1 ILE 53 -0.831 3.399 0.324 379 HG13 ILE 53 2HG1 ILE 53 0.010 1.909 -0.056 380 HG21 ILE 53 1HG2 ILE 53 2.164 5.390 0.947 381 HG22 ILE 53 2HG2 ILE 53 1.032 5.735 -0.382 382 HG23 ILE 53 3HG2 ILE 53 0.410 5.222 1.205 383 HD11 ILE 53 1HD1 ILE 53 0.867 3.217 2.484 384 HD12 ILE 53 2HD1 ILE 53 -0.800 2.593 2.466 385 HD13 ILE 53 3HD1 ILE 53 0.565 1.498 2.134 386 H SER 54 H SER 54 -0.407 1.891 -2.195 387 HA SER 54 HA SER 54 -2.206 3.981 -2.971 388 HB2 SER 54 1HB SER 54 -1.923 1.935 -5.109 389 HB3 SER 54 2HB SER 54 -2.221 3.657 -5.243 390 HG SER 54 HG SER 54 0.341 2.474 -4.579 391 H TRP 55 H TRP 55 -4.014 3.332 -1.856 392 HA TRP 55 HA TRP 55 -4.521 0.454 -1.672 393 HB2 TRP 55 1HB TRP 55 -5.906 0.956 0.213 394 HB3 TRP 55 2HB TRP 55 -4.331 1.692 0.433 395 HD1 TRP 55 HD TRP 55 -7.880 2.838 -0.749 396 HE1 TRP 55 1HE TRP 55 -8.338 5.329 -0.010 397 HE3 TRP 55 3HE TRP 55 -3.286 3.634 1.280 398 HZ2 TRP 55 2HZ TRP 55 -6.763 7.309 1.310 399 HZ3 TRP 55 3HZ TRP 55 -2.828 5.874 2.273 400 HH2 TRP 55 HH TRP 55 -4.477 7.678 2.309 401 H GLU 56 H GLU 56 -6.550 -0.399 -2.364 402 HA GLU 56 HA GLU 56 -8.560 1.333 -3.320 403 HB2 GLU 56 1HB GLU 56 -8.435 0.953 -5.669 404 HB3 GLU 56 2HB GLU 56 -6.804 1.379 -5.189 405 HG2 GLU 56 1HG GLU 56 -7.044 -1.464 -4.869 406 HG3 GLU 56 2HG GLU 56 -7.746 -1.071 -6.425 407 H GLU 57 H GLU 57 -10.461 0.048 -4.196 408 HA GLU 57 HA GLU 57 -10.994 -2.069 -2.554 409 HB2 GLU 57 1HB GLU 57 -12.254 -0.774 -4.894 410 HB3 GLU 57 2HB GLU 57 -12.685 -2.465 -4.735 411 HG2 GLU 57 1HG GLU 57 -12.961 -1.712 -2.131 412 HG3 GLU 57 2HG GLU 57 -13.283 -0.169 -2.897 413 H TYR 58 H TYR 58 -12.065 -4.188 -4.054 414 HA TYR 58 HA TYR 58 -9.736 -5.703 -4.556 415 HB2 TYR 58 1HB TYR 58 -11.778 -6.761 -3.747 416 HB3 TYR 58 2HB TYR 58 -12.767 -5.929 -4.930 417 HD1 TYR 58 2HD TYR 58 -9.830 -8.281 -4.964 418 HD2 TYR 58 1HD TYR 58 -13.643 -7.254 -6.611 419 HE1 TYR 58 2HE TYR 58 -9.727 -10.313 -6.489 420 HE2 TYR 58 1HE TYR 58 -13.527 -9.289 -8.131 421 HH TYR 58 HH TYR 58 -11.193 -10.702 -9.070 422 H ASN 59 H ASN 59 -12.464 -4.765 -6.780 423 HA ASN 59 HA ASN 59 -10.468 -4.816 -8.906 424 HB2 ASN 59 1HB ASN 59 -12.452 -6.628 -8.784 425 HB3 ASN 59 2HB ASN 59 -13.407 -5.322 -9.456 426 HD21 ASN 59 1HD2 ASN 59 -13.373 -7.295 -11.045 427 HD22 ASN 59 2HD2 ASN 59 -12.263 -7.162 -12.367 428 H ARG 60 H ARG 60 -10.395 -2.418 -8.088 429 HA ARG 60 HA ARG 60 -12.108 -0.920 -9.794 430 HB2 ARG 60 1HB ARG 60 -12.163 -0.453 -6.769 431 HB3 ARG 60 2HB ARG 60 -12.877 0.630 -7.948 432 HG2 ARG 60 1HG ARG 60 -14.360 -1.231 -8.747 433 HG3 ARG 60 2HG ARG 60 -13.656 -2.298 -7.548 434 HD2 ARG 60 1HD ARG 60 -14.976 -1.456 -5.892 435 HD3 ARG 60 2HD ARG 60 -14.549 0.195 -6.294 436 HE ARG 60 HE ARG 60 -16.552 0.383 -7.476 437 HH11 ARG 60 2HH2 ARG 60 -15.749 -3.028 -7.153 438 HH12 ARG 60 1HH2 ARG 60 -17.232 -3.575 -7.861 439 HH21 ARG 60 2HH1 ARG 60 -18.508 -0.339 -8.410 440 HH22 ARG 60 1HH1 ARG 60 -18.812 -2.036 -8.581 441 H THR 61 H THR 61 -10.625 0.398 -10.804 442 HA THR 61 HA THR 61 -8.204 1.124 -9.359 443 HB THR 61 HB THR 61 -8.974 1.721 -12.254 444 HG1 THR 61 1HG THR 61 -8.284 -0.438 -12.634 445 HG21 THR 61 1HG2 THR 61 -6.500 1.793 -10.600 446 HG22 THR 61 2HG2 THR 61 -6.327 0.880 -12.118 447 HG23 THR 61 3HG2 THR 61 -6.838 2.585 -12.158 448 H ASN 62 H ASN 62 -11.307 2.467 -10.257 449 HA ASN 62 HA ASN 62 -10.520 5.134 -10.331 450 HB2 ASN 62 1HB ASN 62 -12.984 5.577 -9.897 451 HB3 ASN 62 2HB ASN 62 -12.701 4.452 -11.210 452 HD21 ASN 62 1HD2 ASN 62 -13.328 2.365 -11.065 453 HD22 ASN 62 2HD2 ASN 62 -14.239 1.693 -9.755 454 H THR 63 H THR 63 -10.796 2.794 -7.779 455 HA THR 63 HA THR 63 -11.041 4.901 -5.741 456 HB THR 63 HB THR 63 -11.439 2.710 -4.311 457 HG1 THR 63 1HG THR 63 -11.368 0.942 -5.637 458 HG21 THR 63 1HG2 THR 63 -13.533 3.650 -4.479 459 HG22 THR 63 2HG2 THR 63 -13.250 4.169 -6.158 460 HG23 THR 63 3HG2 THR 63 -13.781 2.504 -5.818 461 H ARG 64 H ARG 64 -8.618 4.731 -7.210 462 HA ARG 64 HA ARG 64 -6.896 3.337 -5.344 463 HB2 ARG 64 1HB ARG 64 -6.823 3.336 -8.066 464 HB3 ARG 64 2HB ARG 64 -5.791 4.723 -7.780 465 HG2 ARG 64 1HG ARG 64 -4.374 3.327 -6.238 466 HG3 ARG 64 2HG ARG 64 -5.388 1.940 -6.583 467 HD2 ARG 64 1HD ARG 64 -4.546 1.673 -8.738 468 HD3 ARG 64 2HD ARG 64 -4.271 3.389 -8.965 469 HE ARG 64 HE ARG 64 -2.451 2.744 -6.990 470 HH11 ARG 64 2HH2 ARG 64 -3.145 1.399 -10.167 471 HH12 ARG 64 1HH2 ARG 64 -1.520 0.864 -10.437 472 HH21 ARG 64 2HH1 ARG 64 -0.307 2.038 -7.345 473 HH22 ARG 64 1HH1 ARG 64 0.105 1.229 -8.821 474 H VAL 65 H VAL 65 -5.255 4.460 -4.160 475 HA VAL 65 HA VAL 65 -5.516 7.385 -4.265 476 HB VAL 65 HB VAL 65 -4.746 5.598 -1.949 477 HG11 VAL 65 1HG1 VAL 65 -3.669 7.740 -1.734 478 HG12 VAL 65 2HG1 VAL 65 -5.175 8.596 -2.143 479 HG13 VAL 65 3HG1 VAL 65 -5.050 7.697 -0.611 480 HG21 VAL 65 1HG2 VAL 65 -7.005 5.190 -2.087 481 HG22 VAL 65 2HG2 VAL 65 -7.015 6.668 -1.095 482 HG23 VAL 65 3HG2 VAL 65 -7.359 6.764 -2.839 483 H THR 66 H THR 66 -3.481 8.592 -3.694 484 HA THR 66 HA THR 66 -1.062 7.060 -4.320 485 HB THR 66 HB THR 66 -1.962 9.655 -5.682 486 HG1 THR 66 1HG THR 66 -1.504 6.892 -6.567 487 HG21 THR 66 1HG2 THR 66 0.656 8.727 -5.305 488 HG22 THR 66 2HG2 THR 66 0.198 8.011 -6.869 489 HG23 THR 66 3HG2 THR 66 0.123 9.774 -6.641 490 H HIS 67 H HIS 67 -0.095 7.157 -2.356 491 HA HIS 67 HA HIS 67 0.205 9.860 -1.263 492 HB2 HIS 67 1HB HIS 67 -0.469 7.266 0.004 493 HB3 HIS 67 2HB HIS 67 0.707 8.241 0.864 494 HD1 HIS 67 1HD HIS 67 -0.625 11.060 0.044 495 HD2 HIS 67 2HD HIS 67 -2.577 7.768 1.761 496 HE1 HIS 67 1HE HIS 67 -2.701 11.985 1.202 497 H TYR 68 H TYR 68 2.297 10.302 -0.185 498 HA TYR 68 HA TYR 68 4.430 8.574 -1.246 499 HB2 TYR 68 1HB TYR 68 4.135 11.627 -0.954 500 HB3 TYR 68 2HB TYR 68 5.661 10.867 -1.358 501 HD1 TYR 68 2HD TYR 68 4.910 8.819 -3.319 502 HD2 TYR 68 1HD TYR 68 3.435 12.806 -2.838 503 HE1 TYR 68 2HE TYR 68 4.289 8.894 -5.783 504 HE2 TYR 68 1HE TYR 68 2.820 12.868 -5.304 505 HH TYR 68 HH TYR 68 4.028 11.000 -7.509 506 H LEU 69 H LEU 69 5.953 7.906 0.213 507 HA LEU 69 HA LEU 69 6.001 9.316 2.784 508 HB2 LEU 69 1HB LEU 69 6.276 6.332 2.559 509 HB3 LEU 69 2HB LEU 69 6.025 7.306 3.994 510 HG LEU 69 HG LEU 69 3.935 7.168 1.825 511 HD11 LEU 69 1HD1 LEU 69 3.840 4.950 2.198 512 HD12 LEU 69 2HD1 LEU 69 4.708 5.059 3.748 513 HD13 LEU 69 3HD1 LEU 69 2.971 5.439 3.672 514 HD21 LEU 69 1HD2 LEU 69 4.013 8.027 4.705 515 HD22 LEU 69 2HD2 LEU 69 3.392 8.890 3.278 516 HD23 LEU 69 3HD2 LEU 69 2.485 7.514 3.950 517 HA PRO 70 HA PRO 70 10.284 9.248 2.270 518 HB2 PRO 70 1HB PRO 70 11.227 9.137 4.833 519 HB3 PRO 70 2HB PRO 70 10.626 10.609 4.096 520 HG2 PRO 70 1HG PRO 70 9.322 8.878 6.106 521 HG3 PRO 70 2HG PRO 70 8.951 10.536 5.679 522 HD2 PRO 70 1HD PRO 70 7.491 8.194 4.897 523 HD3 PRO 70 2HD PRO 70 7.189 9.840 4.377 524 H ASN 71 H ASN 71 12.464 8.144 2.904 525 HA ASN 71 HA ASN 71 11.913 5.393 2.375 526 HB2 ASN 71 1HB ASN 71 14.293 5.209 1.943 527 HB3 ASN 71 2HB ASN 71 13.797 6.757 1.289 528 HD21 ASN 71 1HD2 ASN 71 16.361 5.638 2.406 529 HD22 ASN 71 2HD2 ASN 71 16.915 6.799 3.567 530 H VAL 72 H VAL 72 11.337 6.793 5.082 531 HA VAL 72 HA VAL 72 13.020 5.060 6.757 532 HB VAL 72 HB VAL 72 12.822 6.666 8.504 533 HG11 VAL 72 1HG1 VAL 72 13.819 8.724 7.384 534 HG12 VAL 72 2HG1 VAL 72 14.633 7.175 7.057 535 HG13 VAL 72 3HG1 VAL 72 13.556 7.891 5.834 536 HG21 VAL 72 1HG2 VAL 72 11.130 8.106 8.709 537 HG22 VAL 72 2HG2 VAL 72 11.515 8.862 7.144 538 HG23 VAL 72 3HG2 VAL 72 10.447 7.440 7.207 539 H THR 73 H THR 73 9.825 5.937 5.632 540 HA THR 73 HA THR 73 8.609 4.317 7.760 541 HB THR 73 HB THR 73 7.612 6.481 5.855 542 HG1 THR 73 1HG THR 73 7.444 7.499 7.868 543 HG21 THR 73 1HG2 THR 73 5.987 4.645 7.695 544 HG22 THR 73 2HG2 THR 73 5.369 6.137 6.946 545 HG23 THR 73 3HG2 THR 73 5.827 4.752 5.925 546 H LEU 74 H LEU 74 7.330 2.520 7.319 547 HA LEU 74 HA LEU 74 7.239 1.692 4.520 548 HB2 LEU 74 1HB LEU 74 8.027 -0.284 6.630 549 HB3 LEU 74 2HB LEU 74 8.191 -0.392 4.888 550 HG LEU 74 HG LEU 74 9.735 1.776 6.212 551 HD11 LEU 74 1HD1 LEU 74 11.297 0.498 7.299 552 HD12 LEU 74 2HD1 LEU 74 9.819 -0.433 7.642 553 HD13 LEU 74 3HD1 LEU 74 10.927 -0.965 6.355 554 HD21 LEU 74 1HD2 LEU 74 11.195 0.007 4.452 555 HD22 LEU 74 2HD2 LEU 74 9.667 0.529 3.702 556 HD23 LEU 74 3HD2 LEU 74 10.834 1.742 4.284 557 H GLU 75 H GLU 75 5.493 2.713 6.970 558 HA GLU 75 HA GLU 75 3.367 0.866 6.343 559 HB2 GLU 75 1HB GLU 75 2.727 0.581 8.712 560 HB3 GLU 75 2HB GLU 75 4.337 -0.048 8.421 561 HG2 GLU 75 1HG GLU 75 4.312 2.822 9.179 562 HG3 GLU 75 2HG GLU 75 3.655 1.770 10.417 563 H TYR 76 H TYR 76 1.245 1.813 6.559 564 HA TYR 76 HA TYR 76 1.083 4.529 7.540 565 HB2 TYR 76 1HB TYR 76 1.859 4.696 5.142 566 HB3 TYR 76 2HB TYR 76 0.582 3.604 4.643 567 HD1 TYR 76 2HD TYR 76 -1.764 4.366 4.550 568 HD2 TYR 76 1HD TYR 76 1.401 7.037 5.623 569 HE1 TYR 76 2HE TYR 76 -3.297 6.354 4.151 570 HE2 TYR 76 1HE TYR 76 -0.142 9.016 5.220 571 HH TYR 76 HH TYR 76 -2.214 9.411 3.749 572 H ARG 77 H ARG 77 -1.142 5.261 7.792 573 HA ARG 77 HA ARG 77 -2.872 2.990 8.125 574 HB2 ARG 77 1HB ARG 77 -2.579 4.683 9.965 575 HB3 ARG 77 2HB ARG 77 -3.257 5.920 8.925 576 HG2 ARG 77 1HG ARG 77 -5.406 5.203 9.259 577 HG3 ARG 77 2HG ARG 77 -4.969 3.513 9.103 578 HD2 ARG 77 1HD ARG 77 -5.786 4.041 11.402 579 HD3 ARG 77 2HD ARG 77 -4.132 3.461 11.424 580 HE ARG 77 HE ARG 77 -3.932 6.256 11.201 581 HH11 ARG 77 2HH2 ARG 77 -5.310 3.973 13.497 582 HH12 ARG 77 1HH2 ARG 77 -5.089 5.016 14.862 583 HH21 ARG 77 2HH1 ARG 77 -3.641 7.633 13.002 584 HH22 ARG 77 1HH1 ARG 77 -4.134 7.112 14.578 585 H VAL 78 H VAL 78 -4.472 2.495 6.651 586 HA VAL 78 HA VAL 78 -5.018 4.463 4.576 587 HB VAL 78 HB VAL 78 -5.742 1.538 4.837 588 HG11 VAL 78 1HG1 VAL 78 -5.951 2.000 2.210 589 HG12 VAL 78 2HG1 VAL 78 -7.320 2.213 3.328 590 HG13 VAL 78 3HG1 VAL 78 -6.374 3.625 2.798 591 HG21 VAL 78 1HG2 VAL 78 -3.486 2.966 3.409 592 HG22 VAL 78 2HG2 VAL 78 -3.385 1.662 4.617 593 HG23 VAL 78 3HG2 VAL 78 -4.004 1.316 2.984 594 H THR 79 H THR 79 -7.128 5.225 4.100 595 HA THR 79 HA THR 79 -9.315 4.382 5.786 596 HB THR 79 HB THR 79 -9.656 6.657 6.735 597 HG1 THR 79 1HG THR 79 -7.996 8.234 6.193 598 HG21 THR 79 1HG2 THR 79 -8.053 5.056 7.954 599 HG22 THR 79 2HG2 THR 79 -6.720 5.893 7.123 600 HG23 THR 79 3HG2 THR 79 -7.760 6.786 8.259 601 H GLY 80 H GLY 80 -11.357 4.944 4.959 602 HA2 GLY 80 1HA GLY 80 -12.710 6.165 3.452 603 HA3 GLY 80 2HA GLY 80 -11.328 6.408 2.403 604 H LEU 81 H LEU 81 -11.768 3.237 3.903 605 HA LEU 81 HA LEU 81 -12.167 2.112 1.268 606 HB2 LEU 81 1HB LEU 81 -11.978 0.522 3.797 607 HB3 LEU 81 2HB LEU 81 -11.481 0.095 2.171 608 HG LEU 81 HG LEU 81 -10.084 2.300 3.678 609 HD11 LEU 81 1HD1 LEU 81 -10.214 -0.381 4.560 610 HD12 LEU 81 2HD1 LEU 81 -8.608 -0.160 3.824 611 HD13 LEU 81 3HD1 LEU 81 -9.143 0.919 5.135 612 HD21 LEU 81 1HD2 LEU 81 -9.761 0.962 1.125 613 HD22 LEU 81 2HD2 LEU 81 -8.992 2.442 1.748 614 HD23 LEU 81 3HD2 LEU 81 -8.285 0.849 2.112 615 H THR 82 H THR 82 -13.551 -0.265 2.709 616 HA THR 82 HA THR 82 -16.162 0.920 3.232 617 HB THR 82 HB THR 82 -15.632 -1.156 1.040 618 HG1 THR 82 1HG THR 82 -16.318 0.757 -0.249 619 HG21 THR 82 1HG2 THR 82 -18.002 -0.661 2.488 620 HG22 THR 82 2HG2 THR 82 -18.165 0.354 1.035 621 HG23 THR 82 3HG2 THR 82 -17.905 -1.399 0.871 622 H ALA 83 H ALA 83 -17.605 -0.460 4.384 623 HA ALA 83 HA ALA 83 -16.226 -2.173 6.169 624 HB1 ALA 83 1HB ALA 83 -18.034 -1.045 7.118 625 HB2 ALA 83 2HB ALA 83 -19.077 -1.308 5.700 626 HB3 ALA 83 3HB ALA 83 -18.734 -2.653 6.814 627 H LEU 84 H LEU 84 -16.134 -4.418 6.271 628 HA LEU 84 HA LEU 84 -15.896 -6.414 5.296 629 HB2 LEU 84 1HB LEU 84 -18.860 -6.016 4.863 630 HB3 LEU 84 2HB LEU 84 -18.018 -7.553 4.912 631 HG LEU 84 HG LEU 84 -18.582 -5.642 7.172 632 HD11 LEU 84 1HD1 LEU 84 -20.001 -7.205 7.941 633 HD12 LEU 84 2HD1 LEU 84 -19.973 -7.791 6.260 634 HD13 LEU 84 3HD1 LEU 84 -18.934 -8.555 7.487 635 HD21 LEU 84 1HD2 LEU 84 -16.359 -7.636 6.964 636 HD22 LEU 84 2HD2 LEU 84 -16.395 -6.035 7.742 637 HD23 LEU 84 3HD2 LEU 84 -17.194 -7.421 8.521 638 H THR 85 H THR 85 -14.713 -4.877 3.564 639 HA THR 85 HA THR 85 -15.730 -5.817 0.984 640 HB THR 85 HB THR 85 -15.042 -2.949 1.783 641 HG1 THR 85 1HG THR 85 -17.260 -3.503 1.972 642 HG21 THR 85 1HG2 THR 85 -14.790 -4.321 -0.844 643 HG22 THR 85 2HG2 THR 85 -15.881 -2.915 -0.872 644 HG23 THR 85 3HG2 THR 85 -14.191 -2.721 -0.346 645 H THR 86 H THR 86 -14.157 -6.335 -0.538 646 HA THR 86 HA THR 86 -11.560 -6.820 0.630 647 HB THR 86 HB THR 86 -12.727 -7.433 -2.137 648 HG1 THR 86 1HG THR 86 -13.770 -8.281 -0.065 649 HG21 THR 86 1HG2 THR 86 -11.010 -9.148 -2.265 650 HG22 THR 86 2HG2 THR 86 -10.172 -7.635 -1.847 651 HG23 THR 86 3HG2 THR 86 -10.503 -8.847 -0.586 652 H TYR 87 H TYR 87 -9.739 -5.671 0.379 653 HA TYR 87 HA TYR 87 -9.715 -3.688 -1.785 654 HB2 TYR 87 1HB TYR 87 -9.385 -3.485 1.229 655 HB3 TYR 87 2HB TYR 87 -8.329 -2.476 0.261 656 HD1 TYR 87 2HD TYR 87 -11.805 -3.086 1.292 657 HD2 TYR 87 1HD TYR 87 -9.217 -0.606 -1.043 658 HE1 TYR 87 2HE TYR 87 -13.651 -1.352 1.076 659 HE2 TYR 87 1HE TYR 87 -11.072 1.121 -1.251 660 HH TYR 87 HH TYR 87 -14.277 0.499 0.141 661 H THR 88 H THR 88 -7.633 -3.203 -2.643 662 HA THR 88 HA THR 88 -5.542 -5.081 -1.753 663 HB THR 88 HB THR 88 -6.568 -4.217 -4.467 664 HG1 THR 88 1HG THR 88 -6.897 -6.313 -3.150 665 HG21 THR 88 1HG2 THR 88 -4.100 -3.673 -4.491 666 HG22 THR 88 2HG2 THR 88 -3.764 -5.319 -3.903 667 HG23 THR 88 3HG2 THR 88 -4.493 -5.079 -5.509 668 H ILE 89 H ILE 89 -3.866 -4.168 -0.764 669 HA ILE 89 HA ILE 89 -3.429 -1.320 -1.264 670 HB ILE 89 HB ILE 89 -2.295 -3.038 0.940 671 HG12 ILE 89 1HG1 ILE 89 -4.581 -3.228 1.343 672 HG13 ILE 89 2HG1 ILE 89 -4.106 -1.859 2.329 673 HG21 ILE 89 1HG2 ILE 89 -2.693 -0.052 0.968 674 HG22 ILE 89 2HG2 ILE 89 -1.630 -1.059 1.979 675 HG23 ILE 89 3HG2 ILE 89 -1.234 -0.790 0.265 676 HD11 ILE 89 1HD1 ILE 89 -5.825 -1.940 -0.108 677 HD12 ILE 89 2HD1 ILE 89 -5.890 -0.847 1.295 678 HD13 ILE 89 3HD1 ILE 89 -4.707 -0.559 -0.004 679 H GLU 90 H GLU 90 -1.862 -0.737 -2.658 680 HA GLU 90 HA GLU 90 0.185 -2.735 -3.189 681 HB2 GLU 90 1HB GLU 90 -0.570 -0.301 -4.863 682 HB3 GLU 90 2HB GLU 90 0.528 -1.583 -5.333 683 HG2 GLU 90 1HG GLU 90 -1.175 -2.981 -5.931 684 HG3 GLU 90 2HG GLU 90 -2.087 -2.638 -4.474 685 H VAL 91 H VAL 91 2.298 -2.354 -2.609 686 HA VAL 91 HA VAL 91 2.952 0.404 -1.830 687 HB VAL 91 HB VAL 91 3.686 -2.207 -0.497 688 HG11 VAL 91 1HG1 VAL 91 5.402 -1.246 0.603 689 HG12 VAL 91 2HG1 VAL 91 5.391 -0.076 -0.739 690 HG13 VAL 91 3HG1 VAL 91 4.551 0.307 0.783 691 HG21 VAL 91 1HG2 VAL 91 1.442 -1.288 0.034 692 HG22 VAL 91 2HG2 VAL 91 2.533 -1.302 1.440 693 HG23 VAL 91 3HG2 VAL 91 2.213 0.222 0.577 694 H ALA 92 H ALA 92 4.617 1.271 -2.959 695 HA ALA 92 HA ALA 92 6.470 -0.624 -4.231 696 HB1 ALA 92 1HB ALA 92 4.674 1.328 -5.419 697 HB2 ALA 92 2HB ALA 92 6.368 1.729 -5.791 698 HB3 ALA 92 3HB ALA 92 5.720 0.126 -6.214 699 H ALA 93 H ALA 93 8.646 0.347 -4.671 700 HA ALA 93 HA ALA 93 9.336 2.114 -2.454 701 HB1 ALA 93 1HB ALA 93 11.706 1.364 -3.269 702 HB2 ALA 93 2HB ALA 93 10.677 0.191 -2.412 703 HB3 ALA 93 3HB ALA 93 10.813 0.127 -4.186 704 H MET 94 H MET 94 11.199 3.722 -2.991 705 HA MET 94 HA MET 94 10.887 4.746 -5.686 706 HB2 MET 94 1HB MET 94 10.578 6.374 -3.100 707 HB3 MET 94 2HB MET 94 10.641 7.080 -4.704 708 HG2 MET 94 1HG MET 94 8.586 5.852 -5.361 709 HG3 MET 94 2HG MET 94 8.545 5.040 -3.808 710 HE1 MET 94 1HE MET 94 8.250 9.086 -5.202 711 HE2 MET 94 2HE MET 94 7.657 7.589 -5.962 712 HE3 MET 94 3HE MET 94 6.537 8.625 -5.046 713 H THR 95 H THR 95 12.840 5.319 -6.570 714 HA THR 95 HA THR 95 15.048 5.807 -4.680 715 HB THR 95 HB THR 95 16.400 4.699 -6.662 716 HG1 THR 95 1HG THR 95 15.041 3.661 -8.116 717 HG21 THR 95 1HG2 THR 95 16.248 3.414 -4.615 718 HG22 THR 95 2HG2 THR 95 14.497 3.170 -4.824 719 HG23 THR 95 3HG2 THR 95 15.647 2.340 -5.901 720 H SER 96 H SER 96 16.997 6.530 -6.542 721 HA SER 96 HA SER 96 16.225 9.188 -6.952 722 HB2 SER 96 1HB SER 96 18.458 9.538 -7.281 723 HB3 SER 96 2HB SER 96 18.613 7.900 -6.679 724 HG SER 96 HG SER 96 19.676 7.698 -8.567 725 H LYS 97 H LYS 97 15.672 6.313 -8.737 726 HA LYS 97 HA LYS 97 15.686 7.623 -11.319 727 HB2 LYS 97 1HB LYS 97 15.227 4.796 -10.371 728 HB3 LYS 97 2HB LYS 97 14.821 5.282 -12.005 729 HG2 LYS 97 1HG LYS 97 17.539 6.068 -10.977 730 HG3 LYS 97 2HG LYS 97 17.280 4.371 -11.331 731 HD2 LYS 97 1HD LYS 97 18.151 5.471 -13.336 732 HD3 LYS 97 2HD LYS 97 16.496 4.978 -13.635 733 HE2 LYS 97 1HE LYS 97 15.663 7.229 -13.349 734 HE3 LYS 97 2HE LYS 97 17.168 7.778 -12.639 735 HZ1 LYS 97 1HZ LYS 97 17.328 6.648 -15.291 736 HZ2 LYS 97 2HZ LYS 97 16.606 8.108 -15.163 737 HZ3 LYS 97 3HZ LYS 97 18.142 7.908 -14.645 738 H GLY 98 H GLY 98 13.304 5.989 -9.117 739 HA2 GLY 98 1HA GLY 98 11.329 7.902 -9.303 740 HA3 GLY 98 2HA GLY 98 11.053 6.822 -10.655 741 H GLN 99 H GLN 99 9.990 4.892 -10.314 742 HA GLN 99 HA GLN 99 9.841 4.002 -7.546 743 HB2 GLN 99 1HB GLN 99 7.737 5.154 -8.050 744 HB3 GLN 99 2HB GLN 99 7.534 4.232 -9.526 745 HG2 GLN 99 1HG GLN 99 7.560 2.110 -8.051 746 HG3 GLN 99 2HG GLN 99 7.444 3.178 -6.666 747 HE21 GLN 99 1HE2 GLN 99 5.854 1.843 -9.435 748 HE22 GLN 99 2HE2 GLN 99 4.248 2.403 -9.111 749 H GLY 100 H GLY 100 9.653 1.692 -7.257 750 HA2 GLY 100 1HA GLY 100 10.430 0.182 -9.672 751 HA3 GLY 100 2HA GLY 100 10.865 -0.218 -8.023 752 H GLN 101 H GLN 101 9.958 -2.391 -8.504 753 HA GLN 101 HA GLN 101 7.461 -2.924 -9.331 754 HB2 GLN 101 1HB GLN 101 9.560 -4.347 -8.131 755 HB3 GLN 101 2HB GLN 101 8.212 -4.621 -7.045 756 HG2 GLN 101 1HG GLN 101 7.144 -5.968 -8.542 757 HG3 GLN 101 2HG GLN 101 7.373 -4.830 -9.854 758 HE21 GLN 101 1HE2 GLN 101 9.359 -4.808 -11.006 759 HE22 GLN 101 2HE2 GLN 101 10.352 -6.222 -11.125 760 H VAL 102 H VAL 102 5.664 -3.993 -7.763 761 HA VAL 102 HA VAL 102 5.318 -2.340 -5.391 762 HB VAL 102 HB VAL 102 4.261 -1.393 -7.616 763 HG11 VAL 102 1HG1 VAL 102 1.796 -2.811 -6.796 764 HG12 VAL 102 2HG1 VAL 102 2.369 -2.338 -8.414 765 HG13 VAL 102 3HG1 VAL 102 3.003 -3.811 -7.640 766 HG21 VAL 102 1HG2 VAL 102 2.454 -1.484 -5.202 767 HG22 VAL 102 2HG2 VAL 102 4.030 -0.660 -5.138 768 HG23 VAL 102 3HG2 VAL 102 2.796 -0.130 -6.305 769 H SER 103 H SER 103 3.969 -3.319 -3.801 770 HA SER 103 HA SER 103 3.386 -6.104 -4.439 771 HB2 SER 103 1HB SER 103 4.500 -4.751 -2.002 772 HB3 SER 103 2HB SER 103 3.438 -6.117 -1.729 773 HG SER 103 HG SER 103 5.044 -7.415 -2.262 774 H ALA 104 H ALA 104 1.205 -6.261 -4.872 775 HA ALA 104 HA ALA 104 -0.603 -4.608 -3.267 776 HB1 ALA 104 1HB ALA 104 -0.462 -4.841 -5.947 777 HB2 ALA 104 2HB ALA 104 -1.548 -6.210 -5.609 778 HB3 ALA 104 3HB ALA 104 -1.999 -4.567 -5.091 779 H SER 105 H SER 105 -1.575 -5.554 -1.552 780 HA SER 105 HA SER 105 -1.940 -8.444 -1.732 781 HB2 SER 105 1HB SER 105 -0.779 -6.739 0.381 782 HB3 SER 105 2HB SER 105 -2.025 -7.810 0.990 783 HG SER 105 HG SER 105 -0.572 -9.369 0.922 784 H THR 106 H THR 106 -4.036 -9.200 -1.454 785 HA THR 106 HA THR 106 -6.121 -7.234 -1.258 786 HB THR 106 HB THR 106 -6.596 -10.215 -1.174 787 HG1 THR 106 1HG THR 106 -5.500 -8.573 -3.349 788 HG21 THR 106 1HG2 THR 106 -7.975 -7.800 -2.078 789 HG22 THR 106 2HG2 THR 106 -7.752 -8.925 -3.440 790 HG23 THR 106 3HG2 THR 106 -8.602 -9.463 -1.971 791 H ILE 107 H ILE 107 -7.446 -6.735 0.422 792 HA ILE 107 HA ILE 107 -7.335 -8.403 2.788 793 HB ILE 107 HB ILE 107 -5.496 -6.998 3.249 794 HG12 ILE 107 1HG1 ILE 107 -6.397 -5.587 5.165 795 HG13 ILE 107 2HG1 ILE 107 -8.004 -6.083 4.672 796 HG21 ILE 107 1HG2 ILE 107 -5.369 -5.169 1.942 797 HG22 ILE 107 2HG2 ILE 107 -7.132 -4.925 1.918 798 HG23 ILE 107 3HG2 ILE 107 -6.176 -4.379 3.318 799 HD11 ILE 107 1HD1 ILE 107 -7.641 -8.337 5.236 800 HD12 ILE 107 2HD1 ILE 107 -5.874 -8.192 5.083 801 HD13 ILE 107 3HD1 ILE 107 -6.706 -7.489 6.491 802 H SER 108 H SER 108 -9.312 -8.507 3.772 803 HA SER 108 HA SER 108 -11.327 -6.780 2.602 804 HB2 SER 108 1HB SER 108 -12.087 -8.971 2.364 805 HB3 SER 108 2HB SER 108 -11.328 -9.517 3.846 806 HG SER 108 HG SER 108 -13.028 -8.825 5.046 807 H SER 109 H SER 109 -12.061 -5.053 3.783 808 HA SER 109 HA SER 109 -11.117 -4.226 6.102 809 HB2 SER 109 1HB SER 109 -13.386 -3.064 6.439 810 HB3 SER 109 2HB SER 109 -12.581 -2.783 4.908 811 HG SER 109 HG SER 109 -14.873 -3.288 4.675 812 H GLY 110 H GLY 110 -11.517 -4.485 8.353 813 HA2 GLY 110 1HA GLY 110 -12.190 -6.998 9.286 814 HA3 GLY 110 2HA GLY 110 -12.157 -5.527 10.239 815 H VAL 111 H VAL 111 -14.107 -4.310 10.602 816 HA VAL 111 HA VAL 111 -16.531 -4.852 9.362 817 HB VAL 111 HB VAL 111 -16.374 -7.054 10.333 818 HG11 VAL 111 1HG1 VAL 111 -14.829 -6.559 12.175 819 HG12 VAL 111 2HG1 VAL 111 -16.114 -5.664 13.022 820 HG13 VAL 111 3HG1 VAL 111 -16.273 -7.418 12.761 821 HG21 VAL 111 1HG2 VAL 111 -18.442 -6.977 11.827 822 HG22 VAL 111 2HG2 VAL 111 -18.398 -5.209 11.622 823 HG23 VAL 111 3HG2 VAL 111 -18.603 -6.265 10.203 824 HA PRO 112 HA PRO 112 -17.175 -1.226 11.637 825 HB2 PRO 112 1HB PRO 112 -19.799 -0.754 11.039 826 HB3 PRO 112 2HB PRO 112 -18.480 -0.333 9.964 827 HG2 PRO 112 1HG PRO 112 -20.402 -2.569 9.751 828 HG3 PRO 112 2HG PRO 112 -19.375 -1.882 8.509 829 HD2 PRO 112 1HD PRO 112 -18.951 -4.343 9.921 830 HD3 PRO 112 2HD PRO 112 -17.866 -3.599 8.763 831 HA PRO 113 HA PRO 113 -18.672 -2.651 15.383 832 HB2 PRO 113 1HB PRO 113 -17.837 -0.578 16.957 833 HB3 PRO 113 2HB PRO 113 -16.810 -1.934 16.533 834 HG2 PRO 113 1HG PRO 113 -16.759 0.829 15.483 835 HG3 PRO 113 2HG PRO 113 -15.512 -0.399 15.403 836 HD2 PRO 113 1HD PRO 113 -17.260 0.413 13.278 837 HD3 PRO 113 2HD PRO 113 -16.092 -0.893 13.233 838 H SER 114 H SER 114 -19.743 -0.089 13.583 839 HA SER 114 HA SER 114 -21.704 0.666 15.553 840 HB2 SER 114 1HB SER 114 -20.387 2.090 13.602 841 HB3 SER 114 2HB SER 114 -21.898 1.748 12.782 842 HG SER 114 HG SER 114 -21.378 3.473 14.914 843 H GLY 115 H GLY 115 -22.974 -1.282 15.702 844 HA2 GLY 115 1HA GLY 115 -25.256 -1.688 14.673 845 HA3 GLY 115 2HA GLY 115 -24.359 -2.074 13.217 846 HA PRO 116 HA PRO 116 -23.930 -6.112 14.746 847 HB2 PRO 116 1HB PRO 116 -21.925 -7.058 13.148 848 HB3 PRO 116 2HB PRO 116 -23.595 -6.955 12.629 849 HG2 PRO 116 1HG PRO 116 -21.315 -5.224 11.891 850 HG3 PRO 116 2HG PRO 116 -22.859 -5.409 11.083 851 HD2 PRO 116 1HD PRO 116 -22.051 -3.226 12.758 852 HD3 PRO 116 2HD PRO 116 -23.632 -3.470 12.045 853 H SER 117 H SER 117 -23.026 -7.255 16.391 854 HA SER 117 HA SER 117 -20.466 -6.119 17.210 855 HB2 SER 117 1HB SER 117 -21.156 -6.877 19.546 856 HB3 SER 117 2HB SER 117 -22.085 -5.549 18.880 857 HG SER 117 HG SER 117 -22.931 -8.063 19.647 858 H SER 118 H SER 118 -22.532 -9.075 17.001 859 HA SER 118 HA SER 118 -20.101 -10.601 16.699 860 HB2 SER 118 1HB SER 118 -22.165 -11.028 18.875 861 HB3 SER 118 2HB SER 118 -21.270 -12.396 18.243 862 HG SER 118 HG SER 118 -20.321 -11.276 20.166 863 H GLY 119 H GLY 119 -20.425 -12.568 15.462 864 HA2 GLY 119 1HA GLY 119 -22.170 -14.137 14.653 865 HA3 GLY 119 2HA GLY 119 -23.096 -12.721 14.196 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.874 -11.633 7.534 2 HA2 GLY 1 1HA GLY 1 -8.178 -13.677 6.602 3 HA3 GLY 1 2HA GLY 1 -9.072 -12.868 5.330 4 H SER 2 H SER 2 -8.027 -13.446 3.450 5 HA SER 2 HA SER 2 -6.469 -13.650 1.952 6 HB2 SER 2 1HB SER 2 -6.289 -11.109 2.661 7 HB3 SER 2 2HB SER 2 -4.744 -11.583 3.338 8 HG SER 2 HG SER 2 -4.186 -12.454 1.188 9 H SER 3 H SER 3 -5.573 -15.699 2.201 10 HA SER 3 HA SER 3 -3.087 -15.760 3.680 11 HB2 SER 3 1HB SER 3 -3.664 -17.905 4.758 12 HB3 SER 3 2HB SER 3 -4.775 -16.642 5.250 13 HG SER 3 HG SER 3 -5.337 -19.016 4.043 14 H GLY 4 H GLY 4 -2.220 -15.687 1.455 15 HA2 GLY 4 1HA GLY 4 -1.125 -17.747 0.350 16 HA3 GLY 4 2HA GLY 4 -2.766 -18.080 -0.166 17 H SER 5 H SER 5 -0.060 -17.078 -1.485 18 HA SER 5 HA SER 5 -1.403 -15.501 -3.413 19 HB2 SER 5 1HB SER 5 0.793 -14.202 -1.740 20 HB3 SER 5 2HB SER 5 0.169 -13.535 -3.236 21 HG SER 5 HG SER 5 -1.477 -12.715 -2.153 22 H SER 6 H SER 6 -0.704 -16.840 -5.075 23 HA SER 6 HA SER 6 1.963 -17.837 -5.034 24 HB2 SER 6 1HB SER 6 1.254 -18.829 -7.283 25 HB3 SER 6 2HB SER 6 0.312 -19.333 -5.894 26 HG SER 6 HG SER 6 -1.414 -18.097 -6.541 27 H GLY 7 H GLY 7 3.232 -17.683 -7.279 28 HA2 GLY 7 1HA GLY 7 4.066 -16.427 -8.992 29 HA3 GLY 7 2HA GLY 7 2.859 -15.192 -8.699 30 HA PRO 8 HA PRO 8 6.592 -14.479 -5.824 31 HB2 PRO 8 1HB PRO 8 8.966 -15.623 -6.549 32 HB3 PRO 8 2HB PRO 8 7.902 -16.310 -5.338 33 HG2 PRO 8 1HG PRO 8 8.359 -17.196 -8.121 34 HG3 PRO 8 2HG PRO 8 7.651 -18.086 -6.789 35 HD2 PRO 8 1HD PRO 8 6.251 -16.875 -8.980 36 HD3 PRO 8 2HD PRO 8 5.537 -17.664 -7.588 37 H GLN 9 H GLN 9 7.981 -15.069 -9.027 38 HA GLN 9 HA GLN 9 7.784 -12.360 -9.687 39 HB2 GLN 9 1HB GLN 9 9.670 -12.245 -8.012 40 HB3 GLN 9 2HB GLN 9 10.607 -13.314 -9.037 41 HG2 GLN 9 1HG GLN 9 9.673 -11.272 -10.775 42 HG3 GLN 9 2HG GLN 9 10.141 -10.435 -9.308 43 HE21 GLN 9 1HE2 GLN 9 11.332 -10.558 -12.015 44 HE22 GLN 9 2HE2 GLN 9 12.988 -11.022 -11.808 45 H LEU 10 H LEU 10 8.266 -12.019 -11.926 46 HA LEU 10 HA LEU 10 9.086 -14.470 -13.325 47 HB2 LEU 10 1HB LEU 10 6.607 -13.491 -13.402 48 HB3 LEU 10 2HB LEU 10 7.314 -12.475 -14.643 49 HG LEU 10 HG LEU 10 8.155 -14.674 -15.707 50 HD11 LEU 10 1HD1 LEU 10 6.690 -15.704 -13.415 51 HD12 LEU 10 2HD1 LEU 10 6.081 -16.366 -14.951 52 HD13 LEU 10 3HD1 LEU 10 7.803 -16.530 -14.532 53 HD21 LEU 10 1HD2 LEU 10 5.685 -13.233 -15.891 54 HD22 LEU 10 2HD2 LEU 10 6.590 -14.090 -17.162 55 HD23 LEU 10 3HD2 LEU 10 5.379 -14.961 -16.191 56 H VAL 11 H VAL 11 11.299 -13.530 -12.937 57 HA VAL 11 HA VAL 11 12.117 -11.091 -13.881 58 HB VAL 11 HB VAL 11 13.377 -12.794 -12.530 59 HG11 VAL 11 1HG1 VAL 11 14.587 -14.552 -13.574 60 HG12 VAL 11 2HG1 VAL 11 12.917 -14.678 -14.177 61 HG13 VAL 11 3HG1 VAL 11 14.183 -13.964 -15.205 62 HG21 VAL 11 1HG2 VAL 11 15.237 -12.038 -14.718 63 HG22 VAL 11 2HG2 VAL 11 14.278 -10.716 -14.009 64 HG23 VAL 11 3HG2 VAL 11 15.323 -11.714 -12.970 65 H ARG 12 H ARG 12 13.254 -10.471 -15.877 66 HA ARG 12 HA ARG 12 13.123 -12.153 -18.108 67 HB2 ARG 12 1HB ARG 12 10.669 -11.402 -17.833 68 HB3 ARG 12 2HB ARG 12 11.206 -9.774 -18.199 69 HG2 ARG 12 1HG ARG 12 11.565 -10.238 -20.433 70 HG3 ARG 12 2HG ARG 12 12.141 -11.863 -20.117 71 HD2 ARG 12 1HD ARG 12 9.850 -12.681 -19.782 72 HD3 ARG 12 2HD ARG 12 9.206 -11.053 -19.860 73 HE ARG 12 HE ARG 12 10.732 -11.881 -22.242 74 HH11 ARG 12 2HH2 ARG 12 7.567 -11.675 -20.718 75 HH12 ARG 12 1HH2 ARG 12 6.699 -11.769 -22.214 76 HH21 ARG 12 2HH1 ARG 12 9.588 -12.005 -24.216 77 HH22 ARG 12 1HH1 ARG 12 7.856 -11.958 -24.217 78 H THR 13 H THR 13 12.904 -8.664 -17.090 79 HA THR 13 HA THR 13 15.314 -8.171 -18.713 80 HB THR 13 HB THR 13 14.308 -5.927 -19.197 81 HG1 THR 13 1HG THR 13 12.394 -5.445 -18.123 82 HG21 THR 13 1HG2 THR 13 12.144 -6.767 -20.389 83 HG22 THR 13 2HG2 THR 13 13.682 -7.491 -20.916 84 HG23 THR 13 3HG2 THR 13 12.608 -8.386 -19.813 85 H HIS 14 H HIS 14 16.285 -5.904 -17.967 86 HA HIS 14 HA HIS 14 16.507 -6.165 -15.061 87 HB2 HIS 14 1HB HIS 14 18.731 -5.813 -15.215 88 HB3 HIS 14 2HB HIS 14 18.489 -6.456 -16.827 89 HD1 HIS 14 1HD HIS 14 18.827 -3.100 -15.040 90 HD2 HIS 14 2HD HIS 14 19.179 -4.745 -18.882 91 HE1 HIS 14 1HE HIS 14 19.795 -1.260 -16.519 92 H GLU 15 H GLU 15 15.786 -4.520 -13.791 93 HA GLU 15 HA GLU 15 15.299 -1.992 -15.167 94 HB2 GLU 15 1HB GLU 15 13.617 -3.513 -13.163 95 HB3 GLU 15 2HB GLU 15 13.473 -1.770 -13.268 96 HG2 GLU 15 1HG GLU 15 11.820 -2.585 -14.776 97 HG3 GLU 15 2HG GLU 15 13.141 -2.088 -15.815 98 H ASP 16 H ASP 16 15.960 -0.083 -14.119 99 HA ASP 16 HA ASP 16 18.015 -0.380 -12.277 100 HB2 ASP 16 1HB ASP 16 17.577 1.545 -13.931 101 HB3 ASP 16 2HB ASP 16 16.382 2.144 -12.798 102 H VAL 17 H VAL 17 14.675 1.069 -12.000 103 HA VAL 17 HA VAL 17 14.625 1.739 -9.392 104 HB VAL 17 HB VAL 17 12.151 0.958 -9.562 105 HG11 VAL 17 1HG1 VAL 17 13.483 3.068 -11.269 106 HG12 VAL 17 2HG1 VAL 17 11.713 2.882 -11.211 107 HG13 VAL 17 3HG1 VAL 17 12.618 3.260 -9.725 108 HG21 VAL 17 1HG2 VAL 17 12.748 -0.637 -11.480 109 HG22 VAL 17 2HG2 VAL 17 11.306 0.387 -11.689 110 HG23 VAL 17 3HG2 VAL 17 12.828 0.815 -12.506 111 HA PRO 18 HA PRO 18 14.777 -1.861 -7.007 112 HB2 PRO 18 1HB PRO 18 13.064 -1.369 -4.935 113 HB3 PRO 18 2HB PRO 18 14.678 -0.693 -5.025 114 HG2 PRO 18 1HG PRO 18 12.083 0.639 -5.502 115 HG3 PRO 18 2HG PRO 18 13.643 1.363 -5.169 116 HD2 PRO 18 1HD PRO 18 12.336 1.196 -7.717 117 HD3 PRO 18 2HD PRO 18 13.945 1.815 -7.403 118 H GLY 19 H GLY 19 13.399 -3.603 -5.706 119 HA2 GLY 19 1HA GLY 19 11.386 -4.432 -7.692 120 HA3 GLY 19 2HA GLY 19 12.291 -5.485 -6.624 121 HA PRO 20 HA PRO 20 8.373 -4.931 -4.515 122 HB2 PRO 20 1HB PRO 20 8.084 -7.521 -3.692 123 HB3 PRO 20 2HB PRO 20 7.425 -6.915 -5.198 124 HG2 PRO 20 1HG PRO 20 9.793 -8.632 -4.768 125 HG3 PRO 20 2HG PRO 20 8.881 -8.369 -6.241 126 HD2 PRO 20 1HD PRO 20 11.432 -7.239 -5.578 127 HD3 PRO 20 2HD PRO 20 10.466 -6.887 -6.997 128 H VAL 21 H VAL 21 8.027 -4.227 -2.480 129 HA VAL 21 HA VAL 21 10.220 -4.032 -0.808 130 HB VAL 21 HB VAL 21 8.388 -3.566 0.935 131 HG11 VAL 21 1HG1 VAL 21 8.150 -1.863 -1.547 132 HG12 VAL 21 2HG1 VAL 21 8.158 -1.366 0.163 133 HG13 VAL 21 3HG1 VAL 21 9.661 -1.926 -0.609 134 HG21 VAL 21 1HG2 VAL 21 6.418 -3.147 -1.205 135 HG22 VAL 21 2HG2 VAL 21 6.767 -4.862 -0.882 136 HG23 VAL 21 3HG2 VAL 21 6.210 -3.803 0.436 137 H GLY 22 H GLY 22 9.732 -4.867 1.715 138 HA2 GLY 22 1HA GLY 22 10.584 -7.477 1.795 139 HA3 GLY 22 2HA GLY 22 9.791 -6.631 3.109 140 H HIS 23 H HIS 23 7.394 -6.684 3.249 141 HA HIS 23 HA HIS 23 5.995 -8.460 1.520 142 HB2 HIS 23 1HB HIS 23 5.368 -10.095 3.258 143 HB3 HIS 23 2HB HIS 23 7.066 -10.159 2.833 144 HD1 HIS 23 1HD HIS 23 6.517 -11.407 5.443 145 HD2 HIS 23 2HD HIS 23 7.094 -7.266 5.104 146 HE1 HIS 23 1HE HIS 23 7.196 -10.588 7.762 147 H LEU 24 H LEU 24 3.870 -7.834 1.442 148 HA LEU 24 HA LEU 24 3.093 -5.530 2.812 149 HB2 LEU 24 1HB LEU 24 1.988 -7.393 0.864 150 HB3 LEU 24 2HB LEU 24 0.766 -6.782 1.962 151 HG LEU 24 HG LEU 24 1.151 -5.518 -0.226 152 HD11 LEU 24 1HD1 LEU 24 0.709 -4.500 2.485 153 HD12 LEU 24 2HD1 LEU 24 1.270 -3.259 1.339 154 HD13 LEU 24 3HD1 LEU 24 -0.194 -4.205 0.980 155 HD21 LEU 24 1HD2 LEU 24 3.036 -4.357 -0.651 156 HD22 LEU 24 2HD2 LEU 24 3.310 -3.956 1.062 157 HD23 LEU 24 3HD2 LEU 24 3.770 -5.559 0.438 158 H SER 25 H SER 25 1.789 -5.163 4.622 159 HA SER 25 HA SER 25 0.880 -7.518 6.030 160 HB2 SER 25 1HB SER 25 3.210 -6.870 6.862 161 HB3 SER 25 2HB SER 25 2.519 -5.361 7.426 162 HG SER 25 HG SER 25 2.647 -7.135 9.049 163 H PHE 26 H PHE 26 -0.917 -7.073 7.467 164 HA PHE 26 HA PHE 26 -1.856 -4.304 7.428 165 HB2 PHE 26 1HB PHE 26 -3.415 -6.888 6.819 166 HB3 PHE 26 2HB PHE 26 -4.160 -5.307 6.955 167 HD1 PHE 26 1HD PHE 26 -2.111 -3.681 5.476 168 HD2 PHE 26 2HD PHE 26 -3.866 -7.441 4.588 169 HE1 PHE 26 1HE PHE 26 -1.720 -3.285 3.028 170 HE2 PHE 26 2HE PHE 26 -3.475 -7.045 2.140 171 HZ PHE 26 HZ PHE 26 -2.407 -4.972 1.390 172 H SER 27 H SER 27 -2.492 -3.610 9.423 173 HA SER 27 HA SER 27 -3.391 -5.640 11.286 174 HB2 SER 27 1HB SER 27 -1.039 -3.784 11.626 175 HB3 SER 27 2HB SER 27 -2.010 -4.153 13.038 176 HG SER 27 HG SER 27 -0.138 -5.618 12.609 177 H GLU 28 H GLU 28 -4.281 -4.418 13.385 178 HA GLU 28 HA GLU 28 -6.049 -3.259 14.006 179 HB2 GLU 28 1HB GLU 28 -4.121 -1.081 13.103 180 HB3 GLU 28 2HB GLU 28 -5.571 -0.735 14.025 181 HG2 GLU 28 1HG GLU 28 -4.338 -2.872 15.417 182 HG3 GLU 28 2HG GLU 28 -3.009 -1.833 14.942 183 H ILE 29 H ILE 29 -6.962 -4.313 11.776 184 HA ILE 29 HA ILE 29 -7.670 -2.261 9.869 185 HB ILE 29 HB ILE 29 -8.447 -5.176 9.973 186 HG12 ILE 29 1HG1 ILE 29 -5.985 -3.796 8.945 187 HG13 ILE 29 2HG1 ILE 29 -6.127 -5.280 9.867 188 HG21 ILE 29 1HG2 ILE 29 -9.574 -4.866 8.080 189 HG22 ILE 29 2HG2 ILE 29 -9.458 -3.119 8.402 190 HG23 ILE 29 3HG2 ILE 29 -8.255 -3.913 7.358 191 HD11 ILE 29 1HD1 ILE 29 -5.783 -6.259 7.817 192 HD12 ILE 29 2HD1 ILE 29 -7.534 -5.997 7.635 193 HD13 ILE 29 3HD1 ILE 29 -6.384 -4.839 6.927 194 H LEU 30 H LEU 30 -9.664 -1.282 9.654 195 HA LEU 30 HA LEU 30 -11.573 -1.938 11.785 196 HB2 LEU 30 1HB LEU 30 -11.084 0.650 10.304 197 HB3 LEU 30 2HB LEU 30 -12.390 0.384 11.442 198 HG LEU 30 HG LEU 30 -10.593 1.600 12.505 199 HD11 LEU 30 1HD1 LEU 30 -10.537 0.443 14.498 200 HD12 LEU 30 2HD1 LEU 30 -11.921 -0.319 13.678 201 HD13 LEU 30 3HD1 LEU 30 -10.341 -1.139 13.704 202 HD21 LEU 30 1HD2 LEU 30 -8.688 -0.699 12.274 203 HD22 LEU 30 2HD2 LEU 30 -8.845 0.445 10.919 204 HD23 LEU 30 3HD2 LEU 30 -8.369 1.033 12.530 205 H ASP 31 H ASP 31 -13.146 0.114 9.756 206 HA ASP 31 HA ASP 31 -14.252 -2.142 8.286 207 HB2 ASP 31 1HB ASP 31 -16.355 -0.918 8.228 208 HB3 ASP 31 2HB ASP 31 -15.785 -0.951 9.884 209 H THR 32 H THR 32 -12.981 1.201 8.193 210 HA THR 32 HA THR 32 -12.758 0.987 5.285 211 HB THR 32 HB THR 32 -13.557 3.429 5.192 212 HG1 THR 32 1HG THR 32 -14.733 4.027 7.176 213 HG21 THR 32 1HG2 THR 32 -15.717 1.699 6.456 214 HG22 THR 32 2HG2 THR 32 -15.876 2.887 5.141 215 HG23 THR 32 3HG2 THR 32 -15.102 1.315 4.830 216 H SER 33 H SER 33 -10.920 0.632 7.618 217 HA SER 33 HA SER 33 -8.865 2.249 6.541 218 HB2 SER 33 1HB SER 33 -8.412 2.988 9.141 219 HB3 SER 33 2HB SER 33 -9.180 4.015 7.946 220 HG SER 33 HG SER 33 -11.120 3.753 8.885 221 H LEU 34 H LEU 34 -6.795 1.351 7.030 222 HA LEU 34 HA LEU 34 -6.595 -0.610 9.125 223 HB2 LEU 34 1HB LEU 34 -5.809 -2.383 7.554 224 HB3 LEU 34 2HB LEU 34 -7.532 -2.066 7.551 225 HG LEU 34 HG LEU 34 -6.984 -0.521 5.504 226 HD11 LEU 34 1HD1 LEU 34 -4.519 -0.712 5.803 227 HD12 LEU 34 2HD1 LEU 34 -4.638 -2.431 5.356 228 HD13 LEU 34 3HD1 LEU 34 -5.089 -1.173 4.181 229 HD21 LEU 34 1HD2 LEU 34 -6.740 -3.444 4.890 230 HD22 LEU 34 2HD2 LEU 34 -8.205 -2.835 5.696 231 HD23 LEU 34 3HD2 LEU 34 -7.729 -2.188 4.108 232 H LYS 35 H LYS 35 -4.339 -1.239 9.510 233 HA LYS 35 HA LYS 35 -2.571 0.897 8.625 234 HB2 LYS 35 1HB LYS 35 -2.941 0.251 11.075 235 HB3 LYS 35 2HB LYS 35 -2.016 -1.197 10.734 236 HG2 LYS 35 1HG LYS 35 -0.566 1.028 9.619 237 HG3 LYS 35 2HG LYS 35 -1.044 1.479 11.244 238 HD2 LYS 35 1HD LYS 35 0.958 0.365 11.691 239 HD3 LYS 35 2HD LYS 35 -0.183 -0.951 11.882 240 HE2 LYS 35 1HE LYS 35 0.785 -0.537 9.088 241 HE3 LYS 35 2HE LYS 35 2.022 -1.034 10.226 242 HZ1 LYS 35 1HZ LYS 35 0.463 -2.741 9.037 243 HZ2 LYS 35 2HZ LYS 35 1.026 -3.011 10.546 244 HZ3 LYS 35 3HZ LYS 35 -0.493 -2.453 10.329 245 H VAL 36 H VAL 36 -1.133 0.608 7.012 246 HA VAL 36 HA VAL 36 -0.682 -2.144 6.134 247 HB VAL 36 HB VAL 36 -0.235 0.526 4.785 248 HG11 VAL 36 1HG1 VAL 36 -0.086 -2.166 3.427 249 HG12 VAL 36 2HG1 VAL 36 0.507 -0.586 2.861 250 HG13 VAL 36 3HG1 VAL 36 1.346 -1.429 4.185 251 HG21 VAL 36 1HG2 VAL 36 -2.285 0.355 3.873 252 HG22 VAL 36 2HG2 VAL 36 -2.123 -1.396 3.599 253 HG23 VAL 36 3HG2 VAL 36 -2.616 -0.787 5.197 254 H SER 37 H SER 37 1.398 -3.033 5.980 255 HA SER 37 HA SER 37 3.574 -1.325 6.816 256 HB2 SER 37 1HB SER 37 3.692 -2.225 8.881 257 HB3 SER 37 2HB SER 37 2.336 -3.279 8.534 258 HG SER 37 HG SER 37 4.637 -4.188 9.068 259 H TRP 38 H TRP 38 5.745 -2.386 6.367 260 HA TRP 38 HA TRP 38 5.793 -4.781 4.836 261 HB2 TRP 38 1HB TRP 38 6.586 -3.776 2.730 262 HB3 TRP 38 2HB TRP 38 4.895 -3.463 3.071 263 HD1 TRP 38 HD TRP 38 8.271 -1.615 2.849 264 HE1 TRP 38 1HE TRP 38 7.923 0.996 2.688 265 HE3 TRP 38 3HE TRP 38 3.261 -1.699 3.719 266 HZ2 TRP 38 2HZ TRP 38 5.644 2.695 2.938 267 HZ3 TRP 38 3HZ TRP 38 2.050 0.480 3.744 268 HH2 TRP 38 HH TRP 38 3.161 2.625 3.371 269 H GLN 39 H GLN 39 8.234 -4.661 3.668 270 HA GLN 39 HA GLN 39 9.947 -3.472 5.705 271 HB2 GLN 39 1HB GLN 39 9.602 -6.280 5.058 272 HB3 GLN 39 2HB GLN 39 11.245 -5.801 4.680 273 HG2 GLN 39 1HG GLN 39 11.423 -4.766 6.988 274 HG3 GLN 39 2HG GLN 39 9.824 -5.384 7.352 275 HE21 GLN 39 1HE2 GLN 39 12.076 -6.042 8.816 276 HE22 GLN 39 2HE2 GLN 39 12.441 -7.725 8.635 277 H GLU 40 H GLU 40 12.434 -3.803 4.738 278 HA GLU 40 HA GLU 40 12.343 -2.211 2.378 279 HB2 GLU 40 1HB GLU 40 14.226 -2.766 4.520 280 HB3 GLU 40 2HB GLU 40 15.033 -2.951 2.975 281 HG2 GLU 40 1HG GLU 40 14.460 -0.707 2.289 282 HG3 GLU 40 2HG GLU 40 13.295 -0.526 3.585 283 HA PRO 41 HA PRO 41 12.923 -5.550 -0.357 284 HB2 PRO 41 1HB PRO 41 13.412 -4.150 -2.652 285 HB3 PRO 41 2HB PRO 41 11.798 -4.454 -2.040 286 HG2 PRO 41 1HG PRO 41 13.365 -1.948 -1.971 287 HG3 PRO 41 2HG PRO 41 11.639 -2.170 -1.764 288 HD2 PRO 41 1HD PRO 41 13.567 -1.682 0.303 289 HD3 PRO 41 2HD PRO 41 11.861 -2.018 0.519 290 H GLY 42 H GLY 42 14.467 -6.840 -1.426 291 HA2 GLY 42 1HA GLY 42 17.129 -6.230 -0.501 292 HA3 GLY 42 2HA GLY 42 16.591 -7.656 -1.366 293 H GLU 43 H GLU 43 15.220 -5.548 -3.336 294 HA GLU 43 HA GLU 43 17.621 -5.330 -4.949 295 HB2 GLU 43 1HB GLU 43 14.684 -5.577 -5.531 296 HB3 GLU 43 2HB GLU 43 15.658 -4.698 -6.693 297 HG2 GLU 43 1HG GLU 43 16.394 -7.480 -5.676 298 HG3 GLU 43 2HG GLU 43 15.434 -7.214 -7.118 299 H LYS 44 H LYS 44 17.331 -3.497 -2.765 300 HA LYS 44 HA LYS 44 16.076 -1.161 -3.130 301 HB2 LYS 44 1HB LYS 44 18.923 -1.595 -2.184 302 HB3 LYS 44 2HB LYS 44 18.027 -0.105 -1.971 303 HG2 LYS 44 1HG LYS 44 16.179 -1.656 -0.890 304 HG3 LYS 44 2HG LYS 44 17.476 -2.827 -0.748 305 HD2 LYS 44 1HD LYS 44 18.827 -1.254 0.576 306 HD3 LYS 44 2HD LYS 44 17.662 0.029 0.318 307 HE2 LYS 44 1HE LYS 44 16.635 -0.637 2.231 308 HE3 LYS 44 2HE LYS 44 16.107 -2.070 1.371 309 HZ1 LYS 44 1HZ LYS 44 17.842 -3.285 2.208 310 HZ2 LYS 44 2HZ LYS 44 18.779 -1.988 2.535 311 HZ3 LYS 44 3HZ LYS 44 17.490 -2.324 3.480 312 H ASN 45 H ASN 45 18.870 -2.394 -4.984 313 HA ASN 45 HA ASN 45 20.024 -1.527 -6.632 314 HB2 ASN 45 1HB ASN 45 17.119 -1.132 -7.330 315 HB3 ASN 45 2HB ASN 45 18.283 -0.364 -8.390 316 HD21 ASN 45 1HD2 ASN 45 16.870 -3.300 -7.308 317 HD22 ASN 45 2HD2 ASN 45 17.676 -4.402 -8.375 318 H GLY 46 H GLY 46 20.372 0.225 -4.574 319 HA2 GLY 46 1HA GLY 46 21.400 2.437 -5.043 320 HA3 GLY 46 2HA GLY 46 19.850 2.907 -5.712 321 H ILE 47 H ILE 47 19.716 4.644 -4.122 322 HA ILE 47 HA ILE 47 19.239 3.676 -1.394 323 HB ILE 47 HB ILE 47 20.226 6.272 -2.523 324 HG12 ILE 47 1HG1 ILE 47 21.945 4.707 -1.984 325 HG13 ILE 47 2HG1 ILE 47 21.949 5.949 -0.748 326 HG21 ILE 47 1HG2 ILE 47 19.985 6.711 0.200 327 HG22 ILE 47 2HG2 ILE 47 18.976 7.422 -1.082 328 HG23 ILE 47 3HG2 ILE 47 18.438 5.949 -0.240 329 HD11 ILE 47 1HD1 ILE 47 22.084 3.971 0.523 330 HD12 ILE 47 2HD1 ILE 47 20.340 4.323 0.562 331 HD13 ILE 47 3HD1 ILE 47 20.974 3.089 -0.553 332 H LEU 48 H LEU 48 17.137 3.340 -0.932 333 HA LEU 48 HA LEU 48 15.054 4.185 -2.548 334 HB2 LEU 48 1HB LEU 48 14.915 3.508 0.390 335 HB3 LEU 48 2HB LEU 48 13.609 3.432 -0.776 336 HG LEU 48 HG LEU 48 16.095 1.697 -0.814 337 HD11 LEU 48 1HD1 LEU 48 13.277 0.817 -0.179 338 HD12 LEU 48 2HD1 LEU 48 14.800 -0.078 0.040 339 HD13 LEU 48 3HD1 LEU 48 14.435 1.324 1.075 340 HD21 LEU 48 1HD2 LEU 48 14.893 0.401 -2.542 341 HD22 LEU 48 2HD2 LEU 48 13.622 1.647 -2.564 342 HD23 LEU 48 3HD2 LEU 48 15.281 2.058 -3.062 343 H THR 49 H THR 49 13.824 6.019 -2.696 344 HA THR 49 HA THR 49 14.648 8.225 -0.943 345 HB THR 49 HB THR 49 13.455 9.535 -2.862 346 HG1 THR 49 1HG THR 49 12.342 7.758 -3.818 347 HG21 THR 49 1HG2 THR 49 15.420 9.612 -4.139 348 HG22 THR 49 2HG2 THR 49 16.065 8.876 -2.652 349 HG23 THR 49 3HG2 THR 49 15.662 7.851 -4.051 350 H GLY 50 H GLY 50 12.099 5.958 -1.508 351 HA2 GLY 50 1HA GLY 50 10.609 6.595 0.675 352 HA3 GLY 50 2HA GLY 50 9.965 7.646 -0.571 353 H TYR 51 H TYR 51 8.118 5.965 0.286 354 HA TYR 51 HA TYR 51 8.079 3.826 -1.733 355 HB2 TYR 51 1HB TYR 51 6.893 3.934 1.110 356 HB3 TYR 51 2HB TYR 51 6.802 2.549 0.041 357 HD1 TYR 51 1HD TYR 51 9.034 1.444 -0.674 358 HD2 TYR 51 2HD TYR 51 8.694 4.169 2.607 359 HE1 TYR 51 1HE TYR 51 11.212 0.560 0.296 360 HE2 TYR 51 2HE TYR 51 10.873 3.276 3.565 361 HH TYR 51 HH TYR 51 12.481 0.504 2.107 362 H ARG 52 H ARG 52 6.059 3.411 -2.744 363 HA ARG 52 HA ARG 52 4.171 5.580 -2.316 364 HB2 ARG 52 1HB ARG 52 5.102 5.540 -4.594 365 HB3 ARG 52 2HB ARG 52 4.716 3.840 -4.771 366 HG2 ARG 52 1HG ARG 52 2.422 4.235 -5.033 367 HG3 ARG 52 2HG ARG 52 2.455 5.713 -4.093 368 HD2 ARG 52 1HD ARG 52 2.337 6.731 -6.151 369 HD3 ARG 52 2HD ARG 52 4.069 6.468 -6.172 370 HE ARG 52 HE ARG 52 2.618 4.145 -7.158 371 HH11 ARG 52 2HH2 ARG 52 3.831 7.319 -8.068 372 HH12 ARG 52 1HH2 ARG 52 3.926 6.941 -9.756 373 HH21 ARG 52 2HH1 ARG 52 2.742 3.644 -9.384 374 HH22 ARG 52 1HH1 ARG 52 3.302 4.836 -10.509 375 H ILE 53 H ILE 53 2.165 5.047 -1.484 376 HA ILE 53 HA ILE 53 1.444 2.200 -1.557 377 HB ILE 53 HB ILE 53 1.862 2.757 0.672 378 HG12 ILE 53 1HG1 ILE 53 -1.127 3.149 0.394 379 HG13 ILE 53 2HG1 ILE 53 -0.336 1.604 0.151 380 HG21 ILE 53 1HG2 ILE 53 0.965 4.736 1.809 381 HG22 ILE 53 2HG2 ILE 53 2.017 5.177 0.443 382 HG23 ILE 53 3HG2 ILE 53 0.248 5.292 0.278 383 HD11 ILE 53 1HD1 ILE 53 -1.237 2.535 2.587 384 HD12 ILE 53 2HD1 ILE 53 0.017 1.287 2.388 385 HD13 ILE 53 3HD1 ILE 53 0.484 2.985 2.649 386 H SER 54 H SER 54 -0.671 1.623 -2.162 387 HA SER 54 HA SER 54 -2.491 3.750 -2.779 388 HB2 SER 54 1HB SER 54 -2.668 2.281 -5.134 389 HB3 SER 54 2HB SER 54 -1.917 3.856 -4.968 390 HG SER 54 HG SER 54 0.116 2.692 -4.444 391 H TRP 55 H TRP 55 -4.361 3.024 -1.837 392 HA TRP 55 HA TRP 55 -4.806 0.128 -1.796 393 HB2 TRP 55 1HB TRP 55 -6.337 0.560 0.033 394 HB3 TRP 55 2HB TRP 55 -4.735 1.178 0.379 395 HD1 TRP 55 HD TRP 55 -8.267 2.493 -0.540 396 HE1 TRP 55 1HE TRP 55 -8.565 5.002 0.221 397 HE3 TRP 55 3HE TRP 55 -3.447 3.170 0.930 398 HZ2 TRP 55 2HZ TRP 55 -6.792 6.944 1.328 399 HZ3 TRP 55 3HZ TRP 55 -2.813 5.402 1.840 400 HH2 TRP 55 HH TRP 55 -4.395 7.253 2.050 401 H GLU 56 H GLU 56 -6.207 -0.656 -3.309 402 HA GLU 56 HA GLU 56 -8.393 1.096 -4.080 403 HB2 GLU 56 1HB GLU 56 -8.109 0.571 -6.437 404 HB3 GLU 56 2HB GLU 56 -6.596 1.210 -5.826 405 HG2 GLU 56 1HG GLU 56 -5.871 -1.241 -5.435 406 HG3 GLU 56 2HG GLU 56 -7.282 -1.712 -6.360 407 H GLU 57 H GLU 57 -10.382 0.043 -4.339 408 HA GLU 57 HA GLU 57 -10.865 -2.227 -3.027 409 HB2 GLU 57 1HB GLU 57 -12.254 -0.674 -5.130 410 HB3 GLU 57 2HB GLU 57 -12.768 -2.347 -5.051 411 HG2 GLU 57 1HG GLU 57 -12.766 -1.796 -2.390 412 HG3 GLU 57 2HG GLU 57 -13.040 -0.174 -2.993 413 H TYR 58 H TYR 58 -11.755 -4.401 -4.000 414 HA TYR 58 HA TYR 58 -9.742 -5.888 -4.985 415 HB2 TYR 58 1HB TYR 58 -11.919 -6.759 -4.168 416 HB3 TYR 58 2HB TYR 58 -12.783 -5.927 -5.446 417 HD1 TYR 58 1HD TYR 58 -10.061 -8.491 -5.072 418 HD2 TYR 58 2HD TYR 58 -13.498 -7.185 -7.260 419 HE1 TYR 58 1HE TYR 58 -9.942 -10.579 -6.518 420 HE2 TYR 58 2HE TYR 58 -13.367 -9.277 -8.699 421 HH TYR 58 HH TYR 58 -12.499 -11.378 -8.742 422 H ASN 59 H ASN 59 -12.446 -4.610 -7.064 423 HA ASN 59 HA ASN 59 -10.475 -4.396 -9.185 424 HB2 ASN 59 1HB ASN 59 -12.117 -5.330 -10.813 425 HB3 ASN 59 2HB ASN 59 -11.747 -6.505 -9.566 426 HD21 ASN 59 1HD2 ASN 59 -14.045 -6.491 -11.198 427 HD22 ASN 59 2HD2 ASN 59 -15.450 -6.286 -10.206 428 H ARG 60 H ARG 60 -11.189 -2.206 -7.691 429 HA ARG 60 HA ARG 60 -12.996 -0.831 -9.491 430 HB2 ARG 60 1HB ARG 60 -13.387 -1.314 -6.606 431 HB3 ARG 60 2HB ARG 60 -13.409 0.398 -6.980 432 HG2 ARG 60 1HG ARG 60 -15.143 0.026 -8.718 433 HG3 ARG 60 2HG ARG 60 -15.085 -1.703 -8.434 434 HD2 ARG 60 1HD ARG 60 -16.124 -1.532 -6.315 435 HD3 ARG 60 2HD ARG 60 -15.646 0.140 -6.097 436 HE ARG 60 HE ARG 60 -17.990 -0.834 -7.575 437 HH11 ARG 60 2HH2 ARG 60 -15.796 1.871 -7.074 438 HH12 ARG 60 1HH2 ARG 60 -16.916 3.054 -7.664 439 HH21 ARG 60 2HH1 ARG 60 -19.468 0.726 -8.352 440 HH22 ARG 60 1HH1 ARG 60 -19.018 2.398 -8.395 441 H THR 61 H THR 61 -11.510 0.538 -10.480 442 HA THR 61 HA THR 61 -9.306 1.623 -8.989 443 HB THR 61 HB THR 61 -10.372 1.900 -11.841 444 HG1 THR 61 1HG THR 61 -8.153 0.665 -10.380 445 HG21 THR 61 1HG2 THR 61 -7.809 3.021 -10.589 446 HG22 THR 61 2HG2 THR 61 -8.140 2.942 -12.336 447 HG23 THR 61 3HG2 THR 61 -9.131 3.987 -11.289 448 H ASN 62 H ASN 62 -12.611 2.418 -9.293 449 HA ASN 62 HA ASN 62 -12.379 5.194 -9.378 450 HB2 ASN 62 1HB ASN 62 -14.528 3.256 -8.431 451 HB3 ASN 62 2HB ASN 62 -14.749 4.981 -8.208 452 HD21 ASN 62 1HD2 ASN 62 -15.289 2.428 -10.212 453 HD22 ASN 62 2HD2 ASN 62 -15.552 3.235 -11.723 454 H THR 63 H THR 63 -11.691 2.800 -6.960 455 HA THR 63 HA THR 63 -11.758 4.854 -4.847 456 HB THR 63 HB THR 63 -12.367 3.115 -3.308 457 HG1 THR 63 1HG THR 63 -11.776 1.341 -5.572 458 HG21 THR 63 1HG2 THR 63 -14.451 2.555 -4.103 459 HG22 THR 63 2HG2 THR 63 -14.004 3.506 -5.539 460 HG23 THR 63 3HG2 THR 63 -13.770 1.742 -5.532 461 H ARG 64 H ARG 64 -9.627 4.871 -6.621 462 HA ARG 64 HA ARG 64 -7.587 3.403 -5.174 463 HB2 ARG 64 1HB ARG 64 -7.844 3.291 -7.764 464 HB3 ARG 64 2HB ARG 64 -7.221 4.929 -7.791 465 HG2 ARG 64 1HG ARG 64 -5.628 3.018 -6.143 466 HG3 ARG 64 2HG ARG 64 -5.650 2.663 -7.859 467 HD2 ARG 64 1HD ARG 64 -5.014 5.111 -8.282 468 HD3 ARG 64 2HD ARG 64 -4.796 5.289 -6.552 469 HE ARG 64 HE ARG 64 -2.803 4.055 -6.687 470 HH11 ARG 64 2HH2 ARG 64 -4.643 3.639 -9.658 471 HH12 ARG 64 1HH2 ARG 64 -3.363 2.815 -10.486 472 HH21 ARG 64 2HH1 ARG 64 -1.115 2.968 -7.778 473 HH22 ARG 64 1HH1 ARG 64 -1.343 2.431 -9.409 474 H VAL 65 H VAL 65 -5.641 4.535 -4.432 475 HA VAL 65 HA VAL 65 -5.837 7.453 -4.475 476 HB VAL 65 HB VAL 65 -6.861 6.537 -2.392 477 HG11 VAL 65 1HG1 VAL 65 -4.245 5.153 -2.269 478 HG12 VAL 65 2HG1 VAL 65 -4.802 5.875 -0.741 479 HG13 VAL 65 3HG1 VAL 65 -5.825 4.692 -1.591 480 HG21 VAL 65 1HG2 VAL 65 -5.258 7.924 -0.845 481 HG22 VAL 65 2HG2 VAL 65 -4.454 8.339 -2.378 482 HG23 VAL 65 3HG2 VAL 65 -6.173 8.734 -2.139 483 H THR 66 H THR 66 -3.765 8.526 -4.182 484 HA THR 66 HA THR 66 -1.469 6.710 -4.467 485 HB THR 66 HB THR 66 -2.241 9.149 -6.145 486 HG1 THR 66 1HG THR 66 -2.820 7.428 -7.407 487 HG21 THR 66 1HG2 THR 66 0.091 7.750 -7.114 488 HG22 THR 66 2HG2 THR 66 -0.036 9.462 -6.644 489 HG23 THR 66 3HG2 THR 66 0.410 8.237 -5.432 490 H HIS 67 H HIS 67 -0.314 6.915 -2.652 491 HA HIS 67 HA HIS 67 0.106 9.662 -1.720 492 HB2 HIS 67 1HB HIS 67 -0.359 7.147 -0.104 493 HB3 HIS 67 2HB HIS 67 0.343 8.598 0.583 494 HD1 HIS 67 1HD HIS 67 -1.839 10.196 -1.550 495 HD2 HIS 67 2HD HIS 67 -2.515 7.756 1.795 496 HE1 HIS 67 1HE HIS 67 -4.178 10.769 -0.708 497 H TYR 68 H TYR 68 2.205 9.843 -0.385 498 HA TYR 68 HA TYR 68 4.210 7.959 -1.412 499 HB2 TYR 68 1HB TYR 68 4.236 11.037 -1.219 500 HB3 TYR 68 2HB TYR 68 5.639 10.087 -1.668 501 HD1 TYR 68 1HD TYR 68 5.079 8.328 -3.690 502 HD2 TYR 68 2HD TYR 68 3.085 12.042 -2.956 503 HE1 TYR 68 1HE TYR 68 4.363 8.434 -6.128 504 HE2 TYR 68 2HE TYR 68 2.376 12.135 -5.396 505 HH TYR 68 HH TYR 68 3.026 11.281 -7.491 506 H LEU 69 H LEU 69 5.929 7.495 -0.004 507 HA LEU 69 HA LEU 69 5.852 8.875 2.577 508 HB2 LEU 69 1HB LEU 69 6.162 5.889 2.325 509 HB3 LEU 69 2HB LEU 69 5.981 6.839 3.787 510 HG LEU 69 HG LEU 69 3.810 6.666 1.689 511 HD11 LEU 69 1HD1 LEU 69 3.799 4.460 2.225 512 HD12 LEU 69 2HD1 LEU 69 4.574 4.719 3.807 513 HD13 LEU 69 3HD1 LEU 69 2.841 5.067 3.597 514 HD21 LEU 69 1HD2 LEU 69 3.527 8.543 3.140 515 HD22 LEU 69 2HD2 LEU 69 2.365 7.289 3.637 516 HD23 LEU 69 3HD2 LEU 69 3.850 7.553 4.583 517 HA PRO 70 HA PRO 70 10.141 8.937 2.110 518 HB2 PRO 70 1HB PRO 70 11.046 8.924 4.689 519 HB3 PRO 70 2HB PRO 70 10.413 10.356 3.903 520 HG2 PRO 70 1HG PRO 70 9.131 8.640 5.940 521 HG3 PRO 70 2HG PRO 70 8.716 10.274 5.462 522 HD2 PRO 70 1HD PRO 70 7.341 7.867 4.723 523 HD3 PRO 70 2HD PRO 70 6.996 9.488 4.154 524 H ASN 71 H ASN 71 12.347 7.921 2.879 525 HA ASN 71 HA ASN 71 11.881 5.133 2.410 526 HB2 ASN 71 1HB ASN 71 14.397 5.042 2.242 527 HB3 ASN 71 2HB ASN 71 13.699 6.241 1.172 528 HD21 ASN 71 1HD2 ASN 71 16.369 6.024 2.367 529 HD22 ASN 71 2HD2 ASN 71 16.668 7.501 3.219 530 H VAL 72 H VAL 72 11.245 6.607 5.058 531 HA VAL 72 HA VAL 72 12.972 4.985 6.799 532 HB VAL 72 HB VAL 72 12.643 6.669 8.510 533 HG11 VAL 72 1HG1 VAL 72 14.588 6.964 7.137 534 HG12 VAL 72 2HG1 VAL 72 13.636 7.750 5.855 535 HG13 VAL 72 3HG1 VAL 72 13.874 8.571 7.417 536 HG21 VAL 72 1HG2 VAL 72 11.615 8.901 7.795 537 HG22 VAL 72 2HG2 VAL 72 10.904 8.009 6.428 538 HG23 VAL 72 3HG2 VAL 72 10.491 7.554 8.099 539 H THR 73 H THR 73 9.753 5.807 5.675 540 HA THR 73 HA THR 73 8.566 4.253 7.865 541 HB THR 73 HB THR 73 7.486 6.253 5.820 542 HG1 THR 73 1HG THR 73 7.162 7.382 7.847 543 HG21 THR 73 1HG2 THR 73 5.286 5.939 6.741 544 HG22 THR 73 2HG2 THR 73 5.860 4.291 6.390 545 HG23 THR 73 3HG2 THR 73 5.903 4.912 8.058 546 H LEU 74 H LEU 74 7.414 2.375 7.539 547 HA LEU 74 HA LEU 74 7.339 1.412 4.774 548 HB2 LEU 74 1HB LEU 74 8.051 -0.442 7.014 549 HB3 LEU 74 2HB LEU 74 8.289 -0.636 5.288 550 HG LEU 74 HG LEU 74 9.772 1.578 6.633 551 HD11 LEU 74 1HD1 LEU 74 9.954 -0.372 8.185 552 HD12 LEU 74 2HD1 LEU 74 10.696 -1.296 6.856 553 HD13 LEU 74 3HD1 LEU 74 11.502 0.161 7.485 554 HD21 LEU 74 1HD2 LEU 74 9.753 0.459 4.098 555 HD22 LEU 74 2HD2 LEU 74 10.988 1.552 4.767 556 HD23 LEU 74 3HD2 LEU 74 11.223 -0.211 4.845 557 H GLU 75 H GLU 75 5.563 2.517 7.224 558 HA GLU 75 HA GLU 75 3.441 0.647 6.608 559 HB2 GLU 75 1HB GLU 75 2.789 0.340 8.902 560 HB3 GLU 75 2HB GLU 75 4.505 -0.008 8.818 561 HG2 GLU 75 1HG GLU 75 4.136 2.835 9.303 562 HG3 GLU 75 2HG GLU 75 3.186 1.929 10.464 563 H TYR 76 H TYR 76 1.288 1.585 6.798 564 HA TYR 76 HA TYR 76 1.069 4.339 7.597 565 HB2 TYR 76 1HB TYR 76 1.934 4.571 5.289 566 HB3 TYR 76 2HB TYR 76 0.892 3.284 4.715 567 HD1 TYR 76 2HD TYR 76 -1.557 3.680 4.443 568 HD2 TYR 76 1HD TYR 76 1.136 6.837 5.487 569 HE1 TYR 76 2HE TYR 76 -3.306 5.402 3.780 570 HE2 TYR 76 1HE TYR 76 -0.622 8.547 4.820 571 HH TYR 76 HH TYR 76 -2.549 8.861 3.854 572 H ARG 77 H ARG 77 -1.127 4.998 7.877 573 HA ARG 77 HA ARG 77 -2.897 2.718 7.940 574 HB2 ARG 77 1HB ARG 77 -2.469 4.344 9.941 575 HB3 ARG 77 2HB ARG 77 -3.465 5.493 9.071 576 HG2 ARG 77 1HG ARG 77 -4.531 2.695 9.460 577 HG3 ARG 77 2HG ARG 77 -4.531 3.778 10.838 578 HD2 ARG 77 1HD ARG 77 -5.573 4.945 8.283 579 HD3 ARG 77 2HD ARG 77 -6.553 3.675 8.988 580 HE ARG 77 HE ARG 77 -6.317 6.354 9.979 581 HH11 ARG 77 2HH2 ARG 77 -6.469 3.039 11.149 582 HH12 ARG 77 1HH2 ARG 77 -7.159 3.475 12.677 583 HH21 ARG 77 2HH1 ARG 77 -7.227 6.930 11.994 584 HH22 ARG 77 1HH1 ARG 77 -7.593 5.703 13.161 585 H VAL 78 H VAL 78 -4.786 2.597 6.683 586 HA VAL 78 HA VAL 78 -5.144 4.797 4.781 587 HB VAL 78 HB VAL 78 -5.022 3.119 3.338 588 HG11 VAL 78 1HG1 VAL 78 -4.024 1.703 5.152 589 HG12 VAL 78 2HG1 VAL 78 -5.656 1.079 5.493 590 HG13 VAL 78 3HG1 VAL 78 -4.904 0.784 3.907 591 HG21 VAL 78 1HG2 VAL 78 -7.593 1.990 4.458 592 HG22 VAL 78 2HG2 VAL 78 -7.542 3.540 3.586 593 HG23 VAL 78 3HG2 VAL 78 -7.039 2.042 2.768 594 H THR 79 H THR 79 -7.259 5.649 4.385 595 HA THR 79 HA THR 79 -9.388 4.758 6.153 596 HB THR 79 HB THR 79 -9.668 7.253 6.844 597 HG1 THR 79 1HG THR 79 -6.907 7.041 5.863 598 HG21 THR 79 1HG2 THR 79 -7.640 7.141 8.472 599 HG22 THR 79 2HG2 THR 79 -8.830 5.822 8.595 600 HG23 THR 79 3HG2 THR 79 -7.292 5.556 7.739 601 H GLY 80 H GLY 80 -11.458 5.205 5.392 602 HA2 GLY 80 1HA GLY 80 -12.884 6.473 3.948 603 HA3 GLY 80 2HA GLY 80 -11.568 6.618 2.801 604 H LEU 81 H LEU 81 -11.090 3.555 3.861 605 HA LEU 81 HA LEU 81 -11.949 2.334 1.547 606 HB2 LEU 81 1HB LEU 81 -11.233 1.321 4.283 607 HB3 LEU 81 2HB LEU 81 -11.755 0.220 3.023 608 HG LEU 81 HG LEU 81 -9.432 2.128 2.675 609 HD11 LEU 81 1HD1 LEU 81 -9.281 -0.781 3.506 610 HD12 LEU 81 2HD1 LEU 81 -7.923 0.338 3.240 611 HD13 LEU 81 3HD1 LEU 81 -9.044 0.605 4.597 612 HD21 LEU 81 1HD2 LEU 81 -10.699 0.010 1.027 613 HD22 LEU 81 2HD2 LEU 81 -9.850 1.498 0.544 614 HD23 LEU 81 3HD2 LEU 81 -8.919 0.062 1.034 615 H THR 82 H THR 82 -13.456 0.095 2.087 616 HA THR 82 HA THR 82 -16.024 1.268 2.937 617 HB THR 82 HB THR 82 -15.534 -0.886 0.818 618 HG1 THR 82 1HG THR 82 -14.659 1.436 0.534 619 HG21 THR 82 1HG2 THR 82 -17.916 0.417 2.001 620 HG22 THR 82 2HG2 THR 82 -17.831 0.613 0.233 621 HG23 THR 82 3HG2 THR 82 -17.823 -1.017 0.950 622 H ALA 83 H ALA 83 -17.367 0.100 4.281 623 HA ALA 83 HA ALA 83 -16.097 -1.712 5.998 624 HB1 ALA 83 1HB ALA 83 -18.648 -2.091 6.622 625 HB2 ALA 83 2HB ALA 83 -17.845 -0.544 6.980 626 HB3 ALA 83 3HB ALA 83 -18.892 -0.693 5.548 627 H LEU 84 H LEU 84 -16.127 -3.964 6.140 628 HA LEU 84 HA LEU 84 -15.963 -5.974 5.171 629 HB2 LEU 84 1HB LEU 84 -18.912 -5.474 4.746 630 HB3 LEU 84 2HB LEU 84 -18.123 -7.036 4.837 631 HG LEU 84 HG LEU 84 -18.607 -5.043 7.046 632 HD11 LEU 84 1HD1 LEU 84 -20.233 -6.426 7.646 633 HD12 LEU 84 2HD1 LEU 84 -19.936 -7.359 6.160 634 HD13 LEU 84 3HD1 LEU 84 -19.114 -7.810 7.673 635 HD21 LEU 84 1HD2 LEU 84 -16.406 -5.537 7.560 636 HD22 LEU 84 2HD2 LEU 84 -17.297 -6.783 8.467 637 HD23 LEU 84 3HD2 LEU 84 -16.514 -7.195 6.923 638 H THR 85 H THR 85 -14.694 -4.602 3.414 639 HA THR 85 HA THR 85 -15.816 -5.463 0.852 640 HB THR 85 HB THR 85 -14.868 -2.654 1.605 641 HG1 THR 85 1HG THR 85 -17.208 -3.789 0.248 642 HG21 THR 85 1HG2 THR 85 -14.058 -3.606 -0.729 643 HG22 THR 85 2HG2 THR 85 -15.782 -3.523 -1.162 644 HG23 THR 85 3HG2 THR 85 -14.909 -2.044 -0.694 645 H THR 86 H THR 86 -14.254 -5.910 -0.779 646 HA THR 86 HA THR 86 -11.689 -6.629 0.399 647 HB THR 86 HB THR 86 -12.896 -7.242 -2.349 648 HG1 THR 86 1HG THR 86 -13.531 -9.209 -1.153 649 HG21 THR 86 1HG2 THR 86 -11.245 -8.889 -2.561 650 HG22 THR 86 2HG2 THR 86 -10.320 -7.675 -1.645 651 HG23 THR 86 3HG2 THR 86 -11.051 -9.060 -0.799 652 H TYR 87 H TYR 87 -9.793 -5.629 0.039 653 HA TYR 87 HA TYR 87 -9.682 -3.747 -2.202 654 HB2 TYR 87 1HB TYR 87 -9.285 -3.371 0.803 655 HB3 TYR 87 2HB TYR 87 -8.308 -2.402 -0.282 656 HD1 TYR 87 1HD TYR 87 -9.321 -0.654 -1.673 657 HD2 TYR 87 2HD TYR 87 -11.697 -3.008 0.995 658 HE1 TYR 87 1HE TYR 87 -11.228 1.014 -1.888 659 HE2 TYR 87 2HE TYR 87 -13.596 -1.332 0.771 660 HH TYR 87 HH TYR 87 -14.222 0.417 -1.261 661 H THR 88 H THR 88 -7.418 -3.117 -2.756 662 HA THR 88 HA THR 88 -5.469 -5.105 -1.805 663 HB THR 88 HB THR 88 -6.597 -4.669 -4.508 664 HG1 THR 88 1HG THR 88 -4.767 -6.527 -3.157 665 HG21 THR 88 1HG2 THR 88 -4.445 -3.498 -4.915 666 HG22 THR 88 2HG2 THR 88 -3.564 -4.808 -4.093 667 HG23 THR 88 3HG2 THR 88 -4.392 -5.124 -5.637 668 H ILE 89 H ILE 89 -4.020 -4.009 -0.634 669 HA ILE 89 HA ILE 89 -3.460 -1.261 -1.346 670 HB ILE 89 HB ILE 89 -2.168 -2.823 0.868 671 HG12 ILE 89 1HG1 ILE 89 -4.426 -3.364 1.251 672 HG13 ILE 89 2HG1 ILE 89 -4.086 -2.011 2.312 673 HG21 ILE 89 1HG2 ILE 89 -1.630 -0.804 1.774 674 HG22 ILE 89 2HG2 ILE 89 -1.649 -0.346 0.054 675 HG23 ILE 89 3HG2 ILE 89 -3.053 0.016 1.087 676 HD11 ILE 89 1HD1 ILE 89 -4.931 -0.898 -0.191 677 HD12 ILE 89 2HD1 ILE 89 -6.072 -2.199 0.225 678 HD13 ILE 89 3HD1 ILE 89 -5.790 -0.863 1.368 679 H GLU 90 H GLU 90 -1.876 -0.682 -2.724 680 HA GLU 90 HA GLU 90 0.135 -2.709 -3.277 681 HB2 GLU 90 1HB GLU 90 -0.430 -0.223 -4.935 682 HB3 GLU 90 2HB GLU 90 0.438 -1.663 -5.427 683 HG2 GLU 90 1HG GLU 90 -1.504 -2.539 -6.195 684 HG3 GLU 90 2HG GLU 90 -2.111 -2.582 -4.552 685 H VAL 91 H VAL 91 2.135 -2.435 -2.393 686 HA VAL 91 HA VAL 91 2.894 0.315 -1.687 687 HB VAL 91 HB VAL 91 3.568 -2.328 -0.383 688 HG11 VAL 91 1HG1 VAL 91 5.373 -0.383 -0.541 689 HG12 VAL 91 2HG1 VAL 91 4.412 0.290 0.798 690 HG13 VAL 91 3HG1 VAL 91 5.143 -1.326 0.951 691 HG21 VAL 91 1HG2 VAL 91 2.450 -1.252 1.598 692 HG22 VAL 91 2HG2 VAL 91 1.924 0.058 0.514 693 HG23 VAL 91 3HG2 VAL 91 1.364 -1.608 0.233 694 H ALA 92 H ALA 92 4.358 1.125 -3.092 695 HA ALA 92 HA ALA 92 6.258 -0.788 -4.264 696 HB1 ALA 92 1HB ALA 92 5.473 0.016 -6.216 697 HB2 ALA 92 2HB ALA 92 4.547 1.294 -5.392 698 HB3 ALA 92 3HB ALA 92 6.259 1.558 -5.801 699 H ALA 93 H ALA 93 8.451 0.190 -4.755 700 HA ALA 93 HA ALA 93 9.157 2.021 -2.569 701 HB1 ALA 93 1HB ALA 93 11.382 0.981 -2.687 702 HB2 ALA 93 2HB ALA 93 10.128 -0.258 -2.443 703 HB3 ALA 93 3HB ALA 93 10.852 -0.030 -4.053 704 H MET 94 H MET 94 10.618 3.768 -3.015 705 HA MET 94 HA MET 94 10.896 4.299 -5.871 706 HB2 MET 94 1HB MET 94 10.393 6.371 -3.666 707 HB3 MET 94 2HB MET 94 10.425 6.683 -5.390 708 HG2 MET 94 1HG MET 94 8.335 5.668 -5.760 709 HG3 MET 94 2HG MET 94 8.475 4.616 -4.365 710 HE1 MET 94 1HE MET 94 7.552 8.998 -4.648 711 HE2 MET 94 2HE MET 94 7.903 7.790 -5.907 712 HE3 MET 94 3HE MET 94 6.260 7.923 -5.235 713 H THR 95 H THR 95 12.893 5.125 -6.559 714 HA THR 95 HA THR 95 14.880 5.538 -4.420 715 HB THR 95 HB THR 95 16.461 4.594 -6.297 716 HG1 THR 95 1HG THR 95 15.238 4.138 -8.083 717 HG21 THR 95 1HG2 THR 95 14.493 3.070 -4.600 718 HG22 THR 95 2HG2 THR 95 15.321 2.161 -5.888 719 HG23 THR 95 3HG2 THR 95 16.270 2.977 -4.623 720 H SER 96 H SER 96 16.985 6.401 -6.078 721 HA SER 96 HA SER 96 16.113 9.074 -6.431 722 HB2 SER 96 1HB SER 96 18.474 9.535 -6.945 723 HB3 SER 96 2HB SER 96 18.349 8.524 -5.519 724 HG SER 96 HG SER 96 18.594 6.671 -7.188 725 H LYS 97 H LYS 97 15.626 6.405 -8.301 726 HA LYS 97 HA LYS 97 16.078 7.858 -10.812 727 HB2 LYS 97 1HB LYS 97 16.975 5.991 -11.612 728 HB3 LYS 97 2HB LYS 97 16.819 5.249 -10.033 729 HG2 LYS 97 1HG LYS 97 15.621 3.782 -11.467 730 HG3 LYS 97 2HG LYS 97 14.363 4.722 -10.689 731 HD2 LYS 97 1HD LYS 97 15.068 6.259 -12.952 732 HD3 LYS 97 2HD LYS 97 15.110 4.606 -13.531 733 HE2 LYS 97 1HE LYS 97 12.768 4.988 -11.834 734 HE3 LYS 97 2HE LYS 97 12.805 6.227 -13.074 735 HZ1 LYS 97 1HZ LYS 97 11.712 4.300 -13.894 736 HZ2 LYS 97 2HZ LYS 97 13.124 4.450 -14.701 737 HZ3 LYS 97 3HZ LYS 97 12.972 3.328 -13.524 738 H GLY 98 H GLY 98 13.761 5.930 -8.846 739 HA2 GLY 98 1HA GLY 98 11.523 7.371 -9.375 740 HA3 GLY 98 2HA GLY 98 11.621 6.280 -10.743 741 H GLN 99 H GLN 99 9.634 5.238 -9.996 742 HA GLN 99 HA GLN 99 9.927 3.784 -7.509 743 HB2 GLN 99 1HB GLN 99 7.839 5.078 -7.886 744 HB3 GLN 99 2HB GLN 99 7.509 4.148 -9.334 745 HG2 GLN 99 1HG GLN 99 7.981 2.223 -7.288 746 HG3 GLN 99 2HG GLN 99 6.980 3.456 -6.547 747 HE21 GLN 99 1HE2 GLN 99 4.917 3.067 -6.663 748 HE22 GLN 99 2HE2 GLN 99 4.058 2.285 -7.947 749 H GLY 100 H GLY 100 9.768 1.477 -7.390 750 HA2 GLY 100 1HA GLY 100 10.298 0.141 -9.969 751 HA3 GLY 100 2HA GLY 100 10.869 -0.385 -8.398 752 H GLN 101 H GLN 101 9.915 -2.497 -8.678 753 HA GLN 101 HA GLN 101 7.396 -3.039 -9.451 754 HB2 GLN 101 1HB GLN 101 9.505 -4.469 -8.363 755 HB3 GLN 101 2HB GLN 101 8.281 -4.651 -7.123 756 HG2 GLN 101 1HG GLN 101 6.994 -6.017 -8.427 757 HG3 GLN 101 2HG GLN 101 7.168 -4.988 -9.836 758 HE21 GLN 101 1HE2 GLN 101 7.193 -7.751 -9.960 759 HE22 GLN 101 2HE2 GLN 101 8.753 -8.317 -10.458 760 H VAL 102 H VAL 102 5.636 -4.070 -7.813 761 HA VAL 102 HA VAL 102 5.353 -2.370 -5.469 762 HB VAL 102 HB VAL 102 4.235 -1.501 -7.728 763 HG11 VAL 102 1HG1 VAL 102 2.937 -3.819 -7.685 764 HG12 VAL 102 2HG1 VAL 102 1.852 -2.918 -6.599 765 HG13 VAL 102 3HG1 VAL 102 2.155 -2.322 -8.248 766 HG21 VAL 102 1HG2 VAL 102 3.357 0.032 -6.352 767 HG22 VAL 102 2HG2 VAL 102 2.317 -1.167 -5.548 768 HG23 VAL 102 3HG2 VAL 102 4.001 -0.949 -5.015 769 H SER 103 H SER 103 4.184 -3.362 -3.796 770 HA SER 103 HA SER 103 3.552 -6.144 -4.371 771 HB2 SER 103 1HB SER 103 4.601 -4.689 -1.957 772 HB3 SER 103 2HB SER 103 3.594 -6.095 -1.673 773 HG SER 103 HG SER 103 6.026 -6.404 -1.913 774 H ALA 104 H ALA 104 1.376 -6.229 -4.911 775 HA ALA 104 HA ALA 104 -0.466 -4.624 -3.301 776 HB1 ALA 104 1HB ALA 104 -0.247 -5.247 -6.072 777 HB2 ALA 104 2HB ALA 104 -1.714 -6.055 -5.472 778 HB3 ALA 104 3HB ALA 104 -1.515 -4.299 -5.259 779 H SER 105 H SER 105 -1.477 -5.591 -1.621 780 HA SER 105 HA SER 105 -1.817 -8.481 -1.834 781 HB2 SER 105 1HB SER 105 -0.588 -6.854 0.245 782 HB3 SER 105 2HB SER 105 -1.957 -7.723 0.908 783 HG SER 105 HG SER 105 -0.960 -9.673 -0.246 784 H THR 106 H THR 106 -3.916 -9.245 -1.623 785 HA THR 106 HA THR 106 -6.013 -7.292 -1.433 786 HB THR 106 HB THR 106 -6.524 -10.259 -1.399 787 HG1 THR 106 1HG THR 106 -5.627 -10.375 -3.540 788 HG21 THR 106 1HG2 THR 106 -7.806 -9.452 -3.546 789 HG22 THR 106 2HG2 THR 106 -8.456 -8.966 -1.962 790 HG23 THR 106 3HG2 THR 106 -7.504 -7.812 -2.926 791 H ILE 107 H ILE 107 -7.273 -6.747 0.259 792 HA ILE 107 HA ILE 107 -7.309 -8.495 2.567 793 HB ILE 107 HB ILE 107 -5.380 -7.217 3.080 794 HG12 ILE 107 1HG1 ILE 107 -6.210 -5.872 5.073 795 HG13 ILE 107 2HG1 ILE 107 -7.840 -6.253 4.555 796 HG21 ILE 107 1HG2 ILE 107 -5.137 -5.318 1.908 797 HG22 ILE 107 2HG2 ILE 107 -6.889 -5.013 1.834 798 HG23 ILE 107 3HG2 ILE 107 -5.969 -4.568 3.291 799 HD11 ILE 107 1HD1 ILE 107 -5.767 -8.443 4.937 800 HD12 ILE 107 2HD1 ILE 107 -6.743 -7.833 6.295 801 HD13 ILE 107 3HD1 ILE 107 -7.540 -8.594 4.897 802 H SER 108 H SER 108 -9.324 -8.540 3.455 803 HA SER 108 HA SER 108 -11.205 -6.666 2.311 804 HB2 SER 108 1HB SER 108 -12.077 -8.820 2.082 805 HB3 SER 108 2HB SER 108 -11.387 -9.383 3.591 806 HG SER 108 HG SER 108 -13.893 -8.501 3.153 807 H SER 109 H SER 109 -11.871 -4.899 3.475 808 HA SER 109 HA SER 109 -10.903 -4.057 5.758 809 HB2 SER 109 1HB SER 109 -12.905 -2.673 6.044 810 HB3 SER 109 2HB SER 109 -12.517 -2.804 4.340 811 HG SER 109 HG SER 109 -14.805 -3.112 4.774 812 H GLY 110 H GLY 110 -11.602 -4.023 8.052 813 HA2 GLY 110 1HA GLY 110 -12.178 -6.607 9.045 814 HA3 GLY 110 2HA GLY 110 -12.078 -5.116 9.961 815 H VAL 111 H VAL 111 -13.975 -3.869 10.392 816 HA VAL 111 HA VAL 111 -16.442 -4.333 9.188 817 HB VAL 111 HB VAL 111 -16.336 -6.527 10.185 818 HG11 VAL 111 1HG1 VAL 111 -15.963 -5.102 12.842 819 HG12 VAL 111 2HG1 VAL 111 -16.215 -6.851 12.625 820 HG13 VAL 111 3HG1 VAL 111 -14.743 -6.077 11.989 821 HG21 VAL 111 1HG2 VAL 111 -18.373 -6.368 11.709 822 HG22 VAL 111 2HG2 VAL 111 -18.274 -4.604 11.494 823 HG23 VAL 111 3HG2 VAL 111 -18.540 -5.659 10.085 824 HA PRO 112 HA PRO 112 -16.923 -0.660 11.426 825 HB2 PRO 112 1HB PRO 112 -19.544 -0.114 10.879 826 HB3 PRO 112 2HB PRO 112 -18.238 0.252 9.770 827 HG2 PRO 112 1HG PRO 112 -20.233 -1.925 9.630 828 HG3 PRO 112 2HG PRO 112 -19.212 -1.288 8.356 829 HD2 PRO 112 1HD PRO 112 -18.834 -3.742 9.793 830 HD3 PRO 112 2HD PRO 112 -17.752 -3.048 8.601 831 HA PRO 113 HA PRO 113 -18.380 -1.987 15.224 832 HB2 PRO 113 1HB PRO 113 -17.445 0.078 16.750 833 HB3 PRO 113 2HB PRO 113 -16.471 -1.315 16.322 834 HG2 PRO 113 1HG PRO 113 -16.357 1.431 15.233 835 HG3 PRO 113 2HG PRO 113 -15.151 0.162 15.142 836 HD2 PRO 113 1HD PRO 113 -16.919 1.002 13.046 837 HD3 PRO 113 2HD PRO 113 -15.795 -0.341 12.994 838 H SER 114 H SER 114 -19.343 0.685 13.469 839 HA SER 114 HA SER 114 -20.995 1.931 15.271 840 HB2 SER 114 1HB SER 114 -20.558 1.913 12.399 841 HB3 SER 114 2HB SER 114 -22.279 1.995 12.720 842 HG SER 114 HG SER 114 -20.693 3.683 14.333 843 H GLY 115 H GLY 115 -22.136 -0.262 12.596 844 HA2 GLY 115 1HA GLY 115 -24.196 -1.278 14.464 845 HA3 GLY 115 2HA GLY 115 -24.492 -0.946 12.769 846 HA PRO 116 HA PRO 116 -22.006 -4.970 13.366 847 HB2 PRO 116 1HB PRO 116 -22.839 -6.468 15.495 848 HB3 PRO 116 2HB PRO 116 -21.407 -5.459 15.535 849 HG2 PRO 116 1HG PRO 116 -24.048 -4.979 16.773 850 HG3 PRO 116 2HG PRO 116 -22.510 -4.224 17.141 851 HD2 PRO 116 1HD PRO 116 -24.668 -3.080 15.637 852 HD3 PRO 116 2HD PRO 116 -23.087 -2.372 15.906 853 H SER 117 H SER 117 -22.608 -7.344 13.032 854 HA SER 117 HA SER 117 -25.427 -7.637 12.644 855 HB2 SER 117 1HB SER 117 -24.139 -6.551 10.521 856 HB3 SER 117 2HB SER 117 -23.807 -8.239 10.189 857 HG SER 117 HG SER 117 -26.171 -8.614 10.412 858 H SER 118 H SER 118 -25.975 -9.765 13.066 859 HA SER 118 HA SER 118 -24.182 -11.850 12.372 860 HB2 SER 118 1HB SER 118 -23.199 -11.046 14.535 861 HB3 SER 118 2HB SER 118 -24.733 -11.343 15.330 862 HG SER 118 HG SER 118 -22.842 -13.224 14.283 863 H GLY 119 H GLY 119 -25.185 -14.045 12.939 864 HA2 GLY 119 1HA GLY 119 -27.770 -14.288 13.987 865 HA3 GLY 119 2HA GLY 119 -27.912 -14.074 12.254 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.634 -20.776 3.355 2 HA2 GLY 1 1HA GLY 1 7.969 -18.912 5.078 3 HA3 GLY 1 2HA GLY 1 7.516 -18.775 3.391 4 H SER 2 H SER 2 6.000 -17.505 5.397 5 HA SER 2 HA SER 2 3.647 -19.223 5.525 6 HB2 SER 2 1HB SER 2 4.954 -17.557 7.502 7 HB3 SER 2 2HB SER 2 3.338 -16.938 7.227 8 HG SER 2 HG SER 2 2.435 -18.922 7.813 9 H SER 3 H SER 3 3.080 -18.609 3.291 10 HA SER 3 HA SER 3 1.399 -16.371 3.255 11 HB2 SER 3 1HB SER 3 2.534 -15.072 1.465 12 HB3 SER 3 2HB SER 3 3.477 -15.107 2.941 13 HG SER 3 HG SER 3 4.676 -16.960 1.947 14 H GLY 4 H GLY 4 0.071 -16.347 1.280 15 HA2 GLY 4 1HA GLY 4 0.270 -18.897 -0.193 16 HA3 GLY 4 2HA GLY 4 -1.197 -17.983 0.101 17 H SER 5 H SER 5 1.962 -17.920 -1.635 18 HA SER 5 HA SER 5 1.140 -15.692 -3.204 19 HB2 SER 5 1HB SER 5 3.585 -17.284 -2.789 20 HB3 SER 5 2HB SER 5 3.349 -16.863 -4.473 21 HG SER 5 HG SER 5 3.280 -14.644 -3.925 22 H SER 6 H SER 6 0.113 -15.749 -5.194 23 HA SER 6 HA SER 6 -0.947 -18.199 -6.042 24 HB2 SER 6 1HB SER 6 -1.796 -16.822 -7.991 25 HB3 SER 6 2HB SER 6 -2.218 -16.186 -6.414 26 HG SER 6 HG SER 6 -1.462 -14.438 -7.610 27 H GLY 7 H GLY 7 1.331 -15.864 -7.674 28 HA2 GLY 7 1HA GLY 7 3.430 -17.109 -8.411 29 HA3 GLY 7 2HA GLY 7 2.313 -18.108 -9.318 30 HA PRO 8 HA PRO 8 2.818 -13.778 -11.236 31 HB2 PRO 8 1HB PRO 8 5.439 -13.024 -11.413 32 HB3 PRO 8 2HB PRO 8 4.350 -12.423 -10.178 33 HG2 PRO 8 1HG PRO 8 6.513 -14.423 -9.928 34 HG3 PRO 8 2HG PRO 8 5.712 -13.508 -8.666 35 HD2 PRO 8 1HD PRO 8 5.270 -16.262 -9.332 36 HD3 PRO 8 2HD PRO 8 4.390 -15.316 -8.148 37 H GLN 9 H GLN 9 3.756 -13.065 -13.413 38 HA GLN 9 HA GLN 9 3.867 -15.496 -14.909 39 HB2 GLN 9 1HB GLN 9 3.845 -12.559 -15.717 40 HB3 GLN 9 2HB GLN 9 3.916 -13.867 -16.882 41 HG2 GLN 9 1HG GLN 9 1.804 -14.764 -15.463 42 HG3 GLN 9 2HG GLN 9 1.652 -13.065 -15.059 43 HE21 GLN 9 1HE2 GLN 9 0.588 -11.807 -16.386 44 HE22 GLN 9 2HE2 GLN 9 0.203 -12.122 -18.045 45 H LEU 10 H LEU 10 5.564 -15.876 -16.610 46 HA LEU 10 HA LEU 10 8.141 -15.546 -15.453 47 HB2 LEU 10 1HB LEU 10 6.903 -17.288 -17.239 48 HB3 LEU 10 2HB LEU 10 8.089 -16.445 -18.216 49 HG LEU 10 HG LEU 10 9.186 -17.338 -15.651 50 HD11 LEU 10 1HD1 LEU 10 9.207 -19.721 -16.127 51 HD12 LEU 10 2HD1 LEU 10 7.535 -19.134 -15.962 52 HD13 LEU 10 3HD1 LEU 10 8.208 -19.464 -17.577 53 HD21 LEU 10 1HD2 LEU 10 10.426 -18.498 -17.965 54 HD22 LEU 10 2HD2 LEU 10 10.057 -16.786 -18.283 55 HD23 LEU 10 3HD2 LEU 10 11.036 -17.237 -16.867 56 H VAL 11 H VAL 11 9.137 -13.597 -15.440 57 HA VAL 11 HA VAL 11 9.900 -12.395 -17.846 58 HB VAL 11 HB VAL 11 7.494 -11.766 -17.855 59 HG11 VAL 11 1HG1 VAL 11 6.444 -10.718 -16.154 60 HG12 VAL 11 2HG1 VAL 11 7.773 -11.368 -15.166 61 HG13 VAL 11 3HG1 VAL 11 7.852 -9.697 -15.776 62 HG21 VAL 11 1HG2 VAL 11 9.248 -9.326 -17.485 63 HG22 VAL 11 2HG2 VAL 11 9.379 -10.403 -18.896 64 HG23 VAL 11 3HG2 VAL 11 7.858 -9.536 -18.576 65 H ARG 12 H ARG 12 11.549 -10.855 -17.473 66 HA ARG 12 HA ARG 12 11.940 -10.096 -14.718 67 HB2 ARG 12 1HB ARG 12 13.291 -12.285 -15.595 68 HB3 ARG 12 2HB ARG 12 14.384 -11.056 -16.200 69 HG2 ARG 12 1HG ARG 12 14.477 -10.045 -13.888 70 HG3 ARG 12 2HG ARG 12 13.449 -11.339 -13.304 71 HD2 ARG 12 1HD ARG 12 15.121 -12.997 -13.631 72 HD3 ARG 12 2HD ARG 12 16.006 -12.022 -14.788 73 HE ARG 12 HE ARG 12 16.342 -11.982 -11.925 74 HH11 ARG 12 2HH2 ARG 12 16.355 -9.854 -14.727 75 HH12 ARG 12 1HH2 ARG 12 17.421 -8.696 -14.003 76 HH21 ARG 12 2HH1 ARG 12 17.748 -10.455 -10.969 77 HH22 ARG 12 1HH1 ARG 12 18.218 -9.040 -11.851 78 H THR 13 H THR 13 13.511 -10.057 -18.010 79 HA THR 13 HA THR 13 14.535 -8.417 -19.130 80 HB THR 13 HB THR 13 12.020 -7.895 -19.265 81 HG1 THR 13 1HG THR 13 13.842 -6.780 -20.427 82 HG21 THR 13 1HG2 THR 13 11.436 -6.974 -17.129 83 HG22 THR 13 2HG2 THR 13 12.901 -5.964 -17.076 84 HG23 THR 13 3HG2 THR 13 11.574 -5.550 -18.188 85 H HIS 14 H HIS 14 15.180 -5.850 -18.934 86 HA HIS 14 HA HIS 14 16.828 -5.869 -16.551 87 HB2 HIS 14 1HB HIS 14 17.526 -5.404 -19.062 88 HB3 HIS 14 2HB HIS 14 17.002 -3.774 -18.688 89 HD1 HIS 14 1HD HIS 14 18.440 -2.384 -17.022 90 HD2 HIS 14 2HD HIS 14 19.875 -6.266 -17.709 91 HE1 HIS 14 1HE HIS 14 20.798 -2.458 -16.047 92 H GLU 15 H GLU 15 17.174 -3.651 -15.448 93 HA GLU 15 HA GLU 15 15.347 -1.639 -15.637 94 HB2 GLU 15 1HB GLU 15 14.332 -3.974 -14.121 95 HB3 GLU 15 2HB GLU 15 14.236 -2.468 -13.230 96 HG2 GLU 15 1HG GLU 15 13.364 -1.768 -15.816 97 HG3 GLU 15 2HG GLU 15 12.674 -3.359 -15.563 98 H ASP 16 H ASP 16 15.487 -0.111 -13.713 99 HA ASP 16 HA ASP 16 18.012 -0.620 -12.351 100 HB2 ASP 16 1HB ASP 16 17.717 1.399 -13.963 101 HB3 ASP 16 2HB ASP 16 16.661 2.083 -12.744 102 H VAL 17 H VAL 17 14.733 0.935 -12.081 103 HA VAL 17 HA VAL 17 14.699 1.669 -9.485 104 HB VAL 17 HB VAL 17 12.215 0.905 -9.639 105 HG11 VAL 17 1HG1 VAL 17 13.561 2.979 -11.379 106 HG12 VAL 17 2HG1 VAL 17 11.790 2.813 -11.305 107 HG13 VAL 17 3HG1 VAL 17 12.710 3.201 -9.831 108 HG21 VAL 17 1HG2 VAL 17 12.822 -0.713 -11.550 109 HG22 VAL 17 2HG2 VAL 17 11.365 0.291 -11.742 110 HG23 VAL 17 3HG2 VAL 17 12.869 0.735 -12.584 111 HA PRO 18 HA PRO 18 14.813 -1.882 -7.026 112 HB2 PRO 18 1HB PRO 18 13.105 -1.330 -4.965 113 HB3 PRO 18 2HB PRO 18 14.726 -0.673 -5.068 114 HG2 PRO 18 1HG PRO 18 12.144 0.675 -5.572 115 HG3 PRO 18 2HG PRO 18 13.712 1.390 -5.255 116 HD2 PRO 18 1HD PRO 18 12.403 1.185 -7.799 117 HD3 PRO 18 2HD PRO 18 14.019 1.794 -7.498 118 H GLY 19 H GLY 19 13.456 -3.612 -5.727 119 HA2 GLY 19 1HA GLY 19 11.476 -4.497 -7.706 120 HA3 GLY 19 2HA GLY 19 12.303 -5.489 -6.522 121 HA PRO 20 HA PRO 20 8.266 -4.680 -4.708 122 HB2 PRO 20 1HB PRO 20 7.760 -7.233 -3.876 123 HB3 PRO 20 2HB PRO 20 7.232 -6.608 -5.426 124 HG2 PRO 20 1HG PRO 20 9.453 -8.468 -4.837 125 HG3 PRO 20 2HG PRO 20 8.647 -8.168 -6.364 126 HD2 PRO 20 1HD PRO 20 11.224 -7.196 -5.563 127 HD3 PRO 20 2HD PRO 20 10.369 -6.802 -7.041 128 H VAL 21 H VAL 21 7.994 -3.778 -2.764 129 HA VAL 21 HA VAL 21 10.069 -3.827 -0.950 130 HB VAL 21 HB VAL 21 8.314 -2.960 0.640 131 HG11 VAL 21 1HG1 VAL 21 8.492 -1.672 -2.106 132 HG12 VAL 21 2HG1 VAL 21 7.987 -0.858 -0.605 133 HG13 VAL 21 3HG1 VAL 21 9.651 -1.471 -0.769 134 HG21 VAL 21 1HG2 VAL 21 6.141 -3.262 0.242 135 HG22 VAL 21 2HG2 VAL 21 6.286 -2.462 -1.341 136 HG23 VAL 21 3HG2 VAL 21 6.561 -4.215 -1.201 137 H GLY 22 H GLY 22 9.170 -4.449 1.578 138 HA2 GLY 22 1HA GLY 22 9.669 -7.174 1.784 139 HA3 GLY 22 2HA GLY 22 8.974 -6.154 3.027 140 H HIS 23 H HIS 23 7.634 -8.013 3.667 141 HA HIS 23 HA HIS 23 5.645 -8.829 1.732 142 HB2 HIS 23 1HB HIS 23 5.356 -10.689 2.995 143 HB3 HIS 23 2HB HIS 23 6.984 -10.282 3.499 144 HD1 HIS 23 1HD HIS 23 3.907 -11.307 4.920 145 HD2 HIS 23 2HD HIS 23 6.759 -8.418 5.976 146 HE1 HIS 23 1HE HIS 23 3.544 -10.817 7.397 147 H LEU 24 H LEU 24 3.646 -7.933 1.591 148 HA LEU 24 HA LEU 24 2.956 -5.685 3.034 149 HB2 LEU 24 1HB LEU 24 1.695 -7.507 1.115 150 HB3 LEU 24 2HB LEU 24 0.556 -6.728 2.195 151 HG LEU 24 HG LEU 24 1.088 -5.610 -0.059 152 HD11 LEU 24 1HD1 LEU 24 0.534 -4.521 2.558 153 HD12 LEU 24 2HD1 LEU 24 1.424 -3.344 1.563 154 HD13 LEU 24 3HD1 LEU 24 -0.101 -4.041 0.966 155 HD21 LEU 24 1HD2 LEU 24 3.063 -4.576 -0.456 156 HD22 LEU 24 2HD2 LEU 24 3.358 -4.223 1.263 157 HD23 LEU 24 3HD2 LEU 24 3.668 -5.855 0.624 158 H SER 25 H SER 25 1.746 -5.274 4.885 159 HA SER 25 HA SER 25 0.702 -7.595 6.262 160 HB2 SER 25 1HB SER 25 2.565 -5.566 7.574 161 HB3 SER 25 2HB SER 25 1.747 -6.875 8.403 162 HG SER 25 HG SER 25 4.135 -7.013 7.338 163 H PHE 26 H PHE 26 -1.075 -7.084 7.685 164 HA PHE 26 HA PHE 26 -1.851 -4.264 7.714 165 HB2 PHE 26 1HB PHE 26 -3.554 -6.746 7.067 166 HB3 PHE 26 2HB PHE 26 -4.210 -5.131 7.240 167 HD1 PHE 26 2HD PHE 26 -2.107 -3.576 5.777 168 HD2 PHE 26 1HD PHE 26 -4.024 -7.242 4.831 169 HE1 PHE 26 2HE PHE 26 -1.710 -3.154 3.335 170 HE2 PHE 26 1HE PHE 26 -3.627 -6.820 2.389 171 HZ PHE 26 HZ PHE 26 -2.475 -4.781 1.670 172 H SER 27 H SER 27 -2.501 -3.567 9.710 173 HA SER 27 HA SER 27 -3.407 -5.610 11.562 174 HB2 SER 27 1HB SER 27 -1.058 -3.766 11.871 175 HB3 SER 27 2HB SER 27 -2.049 -4.030 13.292 176 HG SER 27 HG SER 27 -1.697 -6.461 12.258 177 H GLU 28 H GLU 28 -4.391 -4.456 13.621 178 HA GLU 28 HA GLU 28 -6.151 -3.308 14.257 179 HB2 GLU 28 1HB GLU 28 -4.330 -1.056 13.306 180 HB3 GLU 28 2HB GLU 28 -5.745 -0.796 14.306 181 HG2 GLU 28 1HG GLU 28 -4.318 -2.898 15.580 182 HG3 GLU 28 2HG GLU 28 -3.090 -1.750 15.082 183 H ILE 29 H ILE 29 -6.904 -4.413 11.921 184 HA ILE 29 HA ILE 29 -7.704 -2.408 10.030 185 HB ILE 29 HB ILE 29 -8.484 -5.319 10.175 186 HG12 ILE 29 1HG1 ILE 29 -5.931 -4.013 9.377 187 HG13 ILE 29 2HG1 ILE 29 -6.219 -5.589 10.088 188 HG21 ILE 29 1HG2 ILE 29 -9.672 -3.548 8.644 189 HG22 ILE 29 2HG2 ILE 29 -8.206 -3.730 7.651 190 HG23 ILE 29 3HG2 ILE 29 -9.222 -5.148 8.007 191 HD11 ILE 29 1HD1 ILE 29 -6.290 -4.759 7.205 192 HD12 ILE 29 2HD1 ILE 29 -5.694 -6.267 7.939 193 HD13 ILE 29 3HD1 ILE 29 -7.442 -6.016 7.716 194 H LEU 30 H LEU 30 -9.901 -1.825 9.518 195 HA LEU 30 HA LEU 30 -11.783 -2.412 11.691 196 HB2 LEU 30 1HB LEU 30 -11.440 0.274 10.356 197 HB3 LEU 30 2HB LEU 30 -12.560 -0.130 11.642 198 HG LEU 30 HG LEU 30 -9.591 -0.430 12.052 199 HD11 LEU 30 1HD1 LEU 30 -9.561 1.785 11.395 200 HD12 LEU 30 2HD1 LEU 30 -11.195 2.109 12.023 201 HD13 LEU 30 3HD1 LEU 30 -9.829 1.920 13.150 202 HD21 LEU 30 1HD2 LEU 30 -10.396 -1.261 13.966 203 HD22 LEU 30 2HD2 LEU 30 -10.724 0.435 14.397 204 HD23 LEU 30 3HD2 LEU 30 -12.015 -0.572 13.699 205 H ASP 31 H ASP 31 -13.435 -0.322 9.887 206 HA ASP 31 HA ASP 31 -14.337 -2.445 8.110 207 HB2 ASP 31 1HB ASP 31 -16.529 -1.454 8.199 208 HB3 ASP 31 2HB ASP 31 -15.945 -1.513 9.851 209 H THR 32 H THR 32 -13.020 0.808 8.423 210 HA THR 32 HA THR 32 -12.821 1.022 5.541 211 HB THR 32 HB THR 32 -13.855 3.327 5.590 212 HG1 THR 32 1HG THR 32 -14.386 2.318 8.293 213 HG21 THR 32 1HG2 THR 32 -16.205 2.654 5.860 214 HG22 THR 32 2HG2 THR 32 -15.332 1.322 5.066 215 HG23 THR 32 3HG2 THR 32 -15.722 1.222 6.800 216 H SER 33 H SER 33 -11.127 0.624 8.053 217 HA SER 33 HA SER 33 -9.135 2.472 7.207 218 HB2 SER 33 1HB SER 33 -8.829 3.017 9.842 219 HB3 SER 33 2HB SER 33 -9.749 4.043 8.760 220 HG SER 33 HG SER 33 -11.660 3.294 9.575 221 H LEU 34 H LEU 34 -7.144 1.455 7.356 222 HA LEU 34 HA LEU 34 -6.695 -0.484 9.437 223 HB2 LEU 34 1HB LEU 34 -6.314 -2.361 8.065 224 HB3 LEU 34 2HB LEU 34 -7.913 -1.751 7.689 225 HG LEU 34 HG LEU 34 -6.704 -0.514 5.723 226 HD11 LEU 34 1HD1 LEU 34 -4.603 -1.051 5.176 227 HD12 LEU 34 2HD1 LEU 34 -4.471 -1.641 6.851 228 HD13 LEU 34 3HD1 LEU 34 -4.845 -2.778 5.533 229 HD21 LEU 34 1HD2 LEU 34 -8.225 -2.770 5.912 230 HD22 LEU 34 2HD2 LEU 34 -7.676 -2.032 4.389 231 HD23 LEU 34 3HD2 LEU 34 -6.770 -3.391 5.096 232 H LYS 35 H LYS 35 -4.388 -1.166 9.491 233 HA LYS 35 HA LYS 35 -2.751 1.000 8.413 234 HB2 LYS 35 1HB LYS 35 -2.926 0.233 10.942 235 HB3 LYS 35 2HB LYS 35 -1.763 -0.977 10.438 236 HG2 LYS 35 1HG LYS 35 -1.272 1.884 9.611 237 HG3 LYS 35 2HG LYS 35 -0.989 1.455 11.286 238 HD2 LYS 35 1HD LYS 35 0.142 -0.484 9.332 239 HD3 LYS 35 2HD LYS 35 0.842 1.119 9.232 240 HE2 LYS 35 1HE LYS 35 0.586 -0.481 11.823 241 HE3 LYS 35 2HE LYS 35 2.042 -0.410 10.850 242 HZ1 LYS 35 1HZ LYS 35 0.714 1.882 12.121 243 HZ2 LYS 35 2HZ LYS 35 2.125 1.203 12.584 244 HZ3 LYS 35 3HZ LYS 35 2.028 1.992 11.157 245 H VAL 36 H VAL 36 -0.956 0.622 7.090 246 HA VAL 36 HA VAL 36 -0.716 -2.155 6.156 247 HB VAL 36 HB VAL 36 -0.636 0.452 4.638 248 HG11 VAL 36 1HG1 VAL 36 -0.361 -1.765 2.871 249 HG12 VAL 36 2HG1 VAL 36 0.779 -0.430 3.159 250 HG13 VAL 36 3HG1 VAL 36 0.890 -1.919 4.128 251 HG21 VAL 36 1HG2 VAL 36 -2.498 -1.887 4.789 252 HG22 VAL 36 2HG2 VAL 36 -2.852 -0.148 4.654 253 HG23 VAL 36 3HG2 VAL 36 -2.303 -1.058 3.226 254 H SER 37 H SER 37 1.276 -3.055 6.374 255 HA SER 37 HA SER 37 3.466 -1.177 6.805 256 HB2 SER 37 1HB SER 37 4.287 -3.442 8.144 257 HB3 SER 37 2HB SER 37 3.554 -2.045 8.905 258 HG SER 37 HG SER 37 2.150 -3.541 9.588 259 H TRP 38 H TRP 38 5.647 -2.075 6.181 260 HA TRP 38 HA TRP 38 5.707 -4.472 4.624 261 HB2 TRP 38 1HB TRP 38 6.323 -3.445 2.508 262 HB3 TRP 38 2HB TRP 38 4.679 -3.055 2.969 263 HD1 TRP 38 HD TRP 38 8.142 -1.367 2.638 264 HE1 TRP 38 1HE TRP 38 7.909 1.258 2.503 265 HE3 TRP 38 3HE TRP 38 3.154 -1.233 3.619 266 HZ2 TRP 38 2HZ TRP 38 5.715 3.056 2.815 267 HZ3 TRP 38 3HZ TRP 38 2.043 0.998 3.685 268 HH2 TRP 38 HH TRP 38 3.241 3.094 3.303 269 H GLN 39 H GLN 39 8.072 -4.493 3.518 270 HA GLN 39 HA GLN 39 9.854 -3.165 5.408 271 HB2 GLN 39 1HB GLN 39 9.483 -6.005 4.919 272 HB3 GLN 39 2HB GLN 39 11.117 -5.550 4.478 273 HG2 GLN 39 1HG GLN 39 10.092 -4.409 7.053 274 HG3 GLN 39 2HG GLN 39 10.357 -6.141 7.036 275 HE21 GLN 39 1HE2 GLN 39 11.769 -3.005 6.980 276 HE22 GLN 39 2HE2 GLN 39 13.439 -3.457 7.060 277 H GLU 40 H GLU 40 12.312 -3.597 4.373 278 HA GLU 40 HA GLU 40 12.179 -2.088 1.970 279 HB2 GLU 40 1HB GLU 40 14.133 -2.667 4.038 280 HB3 GLU 40 2HB GLU 40 14.860 -2.938 2.466 281 HG2 GLU 40 1HG GLU 40 14.399 -0.694 1.737 282 HG3 GLU 40 2HG GLU 40 13.252 -0.419 3.033 283 HA PRO 41 HA PRO 41 12.557 -5.453 -0.754 284 HB2 PRO 41 1HB PRO 41 13.286 -4.141 -3.038 285 HB3 PRO 41 2HB PRO 41 11.628 -4.247 -2.481 286 HG2 PRO 41 1HG PRO 41 13.476 -1.943 -2.369 287 HG3 PRO 41 2HG PRO 41 11.730 -1.958 -2.221 288 HD2 PRO 41 1HD PRO 41 13.631 -1.682 -0.090 289 HD3 PRO 41 2HD PRO 41 11.890 -1.814 0.068 290 H GLY 42 H GLY 42 13.974 -6.929 -1.754 291 HA2 GLY 42 1HA GLY 42 16.612 -6.741 -0.686 292 HA3 GLY 42 2HA GLY 42 15.974 -7.977 -1.753 293 H GLU 43 H GLU 43 15.049 -6.007 -3.825 294 HA GLU 43 HA GLU 43 17.614 -5.734 -5.084 295 HB2 GLU 43 1HB GLU 43 14.760 -5.787 -5.951 296 HB3 GLU 43 2HB GLU 43 15.814 -4.774 -6.917 297 HG2 GLU 43 1HG GLU 43 16.217 -7.736 -6.297 298 HG3 GLU 43 2HG GLU 43 15.780 -7.048 -7.849 299 H LYS 44 H LYS 44 17.504 -4.031 -2.899 300 HA LYS 44 HA LYS 44 16.421 -1.581 -3.083 301 HB2 LYS 44 1HB LYS 44 19.173 -2.413 -2.141 302 HB3 LYS 44 2HB LYS 44 18.559 -0.784 -1.938 303 HG2 LYS 44 1HG LYS 44 16.454 -1.936 -0.870 304 HG3 LYS 44 2HG LYS 44 17.467 -3.361 -0.752 305 HD2 LYS 44 1HD LYS 44 19.000 -2.311 0.738 306 HD3 LYS 44 2HD LYS 44 18.485 -0.698 0.286 307 HE2 LYS 44 1HE LYS 44 16.976 -0.684 1.978 308 HE3 LYS 44 2HE LYS 44 16.165 -2.076 1.289 309 HZ1 LYS 44 1HZ LYS 44 17.041 -3.349 2.840 310 HZ2 LYS 44 2HZ LYS 44 18.564 -2.835 2.552 311 HZ3 LYS 44 3HZ LYS 44 17.609 -2.016 3.593 312 H ASN 45 H ASN 45 19.031 -2.932 -5.091 313 HA ASN 45 HA ASN 45 20.223 -2.084 -6.716 314 HB2 ASN 45 1HB ASN 45 17.385 -1.538 -7.253 315 HB3 ASN 45 2HB ASN 45 18.396 -0.364 -8.072 316 HD21 ASN 45 1HD2 ASN 45 16.931 -3.264 -8.366 317 HD22 ASN 45 2HD2 ASN 45 17.903 -4.027 -9.579 318 H GLY 46 H GLY 46 20.123 -0.439 -4.190 319 HA2 GLY 46 1HA GLY 46 21.717 1.561 -4.410 320 HA3 GLY 46 2HA GLY 46 20.364 2.301 -5.244 321 H ILE 47 H ILE 47 19.413 3.767 -3.893 322 HA ILE 47 HA ILE 47 18.704 2.796 -1.221 323 HB ILE 47 HB ILE 47 20.160 5.307 -1.968 324 HG12 ILE 47 1HG1 ILE 47 21.574 3.539 -1.237 325 HG13 ILE 47 2HG1 ILE 47 21.460 4.686 0.082 326 HG21 ILE 47 1HG2 ILE 47 18.431 6.333 -0.821 327 HG22 ILE 47 2HG2 ILE 47 18.184 4.946 0.266 328 HG23 ILE 47 3HG2 ILE 47 19.604 5.998 0.475 329 HD11 ILE 47 1HD1 ILE 47 20.232 1.937 -0.154 330 HD12 ILE 47 2HD1 ILE 47 21.120 2.662 1.208 331 HD13 ILE 47 3HD1 ILE 47 19.441 3.154 0.876 332 H LEU 48 H LEU 48 16.644 3.371 -0.519 333 HA LEU 48 HA LEU 48 14.939 4.405 -2.616 334 HB2 LEU 48 1HB LEU 48 14.041 3.527 0.109 335 HB3 LEU 48 2HB LEU 48 13.153 3.527 -1.402 336 HG LEU 48 HG LEU 48 13.583 1.277 -1.018 337 HD11 LEU 48 1HD1 LEU 48 14.223 2.007 -3.302 338 HD12 LEU 48 2HD1 LEU 48 15.916 2.111 -2.761 339 HD13 LEU 48 3HD1 LEU 48 15.076 0.542 -2.759 340 HD21 LEU 48 1HD2 LEU 48 16.476 1.255 -0.618 341 HD22 LEU 48 2HD2 LEU 48 15.606 2.151 0.650 342 HD23 LEU 48 3HD2 LEU 48 15.180 0.457 0.304 343 H THR 49 H THR 49 13.784 6.339 -2.542 344 HA THR 49 HA THR 49 14.655 8.168 -0.406 345 HB THR 49 HB THR 49 14.176 9.929 -2.147 346 HG1 THR 49 1HG THR 49 13.497 9.109 -4.212 347 HG21 THR 49 1HG2 THR 49 15.832 7.762 -3.499 348 HG22 THR 49 2HG2 THR 49 16.071 9.525 -3.540 349 HG23 THR 49 3HG2 THR 49 16.456 8.609 -2.063 350 H GLY 50 H GLY 50 12.159 6.139 -1.097 351 HA2 GLY 50 1HA GLY 50 10.406 7.080 0.754 352 HA3 GLY 50 2HA GLY 50 9.945 7.935 -0.704 353 H TYR 51 H TYR 51 7.940 6.459 0.017 354 HA TYR 51 HA TYR 51 8.083 4.112 -1.726 355 HB2 TYR 51 1HB TYR 51 6.956 4.381 1.131 356 HB3 TYR 51 2HB TYR 51 6.687 2.972 0.124 357 HD1 TYR 51 2HD TYR 51 8.735 1.615 -0.632 358 HD2 TYR 51 1HD TYR 51 8.897 4.562 2.466 359 HE1 TYR 51 2HE TYR 51 10.890 0.588 0.243 360 HE2 TYR 51 1HE TYR 51 11.051 3.524 3.330 361 HH TYR 51 HH TYR 51 12.536 0.780 1.638 362 H ARG 52 H ARG 52 6.311 3.885 -3.042 363 HA ARG 52 HA ARG 52 4.253 5.877 -2.635 364 HB2 ARG 52 1HB ARG 52 5.609 5.402 -4.886 365 HB3 ARG 52 2HB ARG 52 4.445 4.109 -5.093 366 HG2 ARG 52 1HG ARG 52 2.723 6.117 -4.457 367 HG3 ARG 52 2HG ARG 52 4.014 7.081 -5.144 368 HD2 ARG 52 1HD ARG 52 2.970 4.632 -6.614 369 HD3 ARG 52 2HD ARG 52 2.137 6.169 -6.741 370 HE ARG 52 HE ARG 52 4.893 6.673 -7.216 371 HH11 ARG 52 2HH2 ARG 52 2.232 4.927 -8.717 372 HH12 ARG 52 1HH2 ARG 52 2.861 5.094 -10.323 373 HH21 ARG 52 2HH1 ARG 52 5.723 6.893 -9.334 374 HH22 ARG 52 1HH1 ARG 52 4.859 6.219 -10.676 375 H ILE 53 H ILE 53 2.467 5.157 -1.513 376 HA ILE 53 HA ILE 53 1.745 2.334 -1.827 377 HB ILE 53 HB ILE 53 2.234 2.895 0.427 378 HG12 ILE 53 1HG1 ILE 53 -0.773 2.789 0.042 379 HG13 ILE 53 2HG1 ILE 53 0.308 1.409 0.031 380 HG21 ILE 53 1HG2 ILE 53 2.091 5.011 1.088 381 HG22 ILE 53 2HG2 ILE 53 0.997 5.429 -0.252 382 HG23 ILE 53 3HG2 ILE 53 0.337 4.766 1.262 383 HD11 ILE 53 1HD1 ILE 53 0.713 3.095 2.411 384 HD12 ILE 53 2HD1 ILE 53 -0.954 2.484 2.283 385 HD13 ILE 53 3HD1 ILE 53 0.413 1.344 2.301 386 H SER 54 H SER 54 -0.437 1.745 -2.294 387 HA SER 54 HA SER 54 -2.259 3.878 -2.871 388 HB2 SER 54 1HB SER 54 -2.535 2.438 -5.218 389 HB3 SER 54 2HB SER 54 -1.715 3.979 -5.072 390 HG SER 54 HG SER 54 0.092 2.158 -4.320 391 H TRP 55 H TRP 55 -4.163 3.180 -1.978 392 HA TRP 55 HA TRP 55 -4.586 0.283 -1.835 393 HB2 TRP 55 1HB TRP 55 -6.135 0.771 -0.031 394 HB3 TRP 55 2HB TRP 55 -4.532 1.394 0.307 395 HD1 TRP 55 HD TRP 55 -7.929 2.811 -1.017 396 HE1 TRP 55 1HE TRP 55 -8.269 5.299 -0.206 397 HE3 TRP 55 3HE TRP 55 -3.413 3.232 1.282 398 HZ2 TRP 55 2HZ TRP 55 -6.647 7.123 1.273 399 HZ3 TRP 55 3HZ TRP 55 -2.870 5.401 2.385 400 HH2 TRP 55 HH TRP 55 -4.401 7.306 2.405 401 H GLU 56 H GLU 56 -6.093 -0.601 -3.190 402 HA GLU 56 HA GLU 56 -8.236 1.134 -4.080 403 HB2 GLU 56 1HB GLU 56 -7.954 0.563 -6.406 404 HB3 GLU 56 2HB GLU 56 -6.401 1.128 -5.823 405 HG2 GLU 56 1HG GLU 56 -6.016 -1.473 -5.299 406 HG3 GLU 56 2HG GLU 56 -7.259 -1.684 -6.516 407 H GLU 57 H GLU 57 -10.226 0.059 -4.362 408 HA GLU 57 HA GLU 57 -10.684 -2.170 -2.927 409 HB2 GLU 57 1HB GLU 57 -12.126 -0.611 -4.964 410 HB3 GLU 57 2HB GLU 57 -12.617 -2.293 -4.959 411 HG2 GLU 57 1HG GLU 57 -12.621 -1.887 -2.283 412 HG3 GLU 57 2HG GLU 57 -12.879 -0.228 -2.784 413 H TYR 58 H TYR 58 -11.784 -4.294 -4.019 414 HA TYR 58 HA TYR 58 -9.716 -5.811 -5.014 415 HB2 TYR 58 1HB TYR 58 -11.800 -6.700 -4.001 416 HB3 TYR 58 2HB TYR 58 -12.783 -5.913 -5.219 417 HD1 TYR 58 2HD TYR 58 -9.999 -8.427 -5.014 418 HD2 TYR 58 1HD TYR 58 -13.619 -7.218 -6.946 419 HE1 TYR 58 2HE TYR 58 -9.964 -10.545 -6.421 420 HE2 TYR 58 1HE TYR 58 -13.572 -9.339 -8.347 421 HH TYR 58 HH TYR 58 -12.337 -11.045 -8.983 422 H ASN 59 H ASN 59 -12.611 -4.652 -6.896 423 HA ASN 59 HA ASN 59 -10.827 -4.537 -9.193 424 HB2 ASN 59 1HB ASN 59 -12.609 -6.534 -9.022 425 HB3 ASN 59 2HB ASN 59 -13.747 -5.298 -9.520 426 HD21 ASN 59 1HD2 ASN 59 -13.491 -7.340 -11.151 427 HD22 ASN 59 2HD2 ASN 59 -12.596 -6.961 -12.585 428 H ARG 60 H ARG 60 -11.017 -2.205 -8.028 429 HA ARG 60 HA ARG 60 -12.844 -0.743 -9.645 430 HB2 ARG 60 1HB ARG 60 -12.998 -0.337 -6.622 431 HB3 ARG 60 2HB ARG 60 -14.016 0.405 -7.840 432 HG2 ARG 60 1HG ARG 60 -14.919 -1.856 -8.450 433 HG3 ARG 60 2HG ARG 60 -13.915 -2.584 -7.212 434 HD2 ARG 60 1HD ARG 60 -15.513 -2.155 -5.659 435 HD3 ARG 60 2HD ARG 60 -15.340 -0.436 -5.949 436 HE ARG 60 HE ARG 60 -17.329 -0.483 -7.171 437 HH11 ARG 60 2HH2 ARG 60 -16.015 -3.744 -7.029 438 HH12 ARG 60 1HH2 ARG 60 -17.384 -4.467 -7.806 439 HH21 ARG 60 2HH1 ARG 60 -19.135 -1.436 -8.195 440 HH22 ARG 60 1HH1 ARG 60 -19.171 -3.145 -8.474 441 H THR 61 H THR 61 -11.286 0.607 -10.528 442 HA THR 61 HA THR 61 -9.051 1.483 -8.949 443 HB THR 61 HB THR 61 -10.011 2.155 -11.781 444 HG1 THR 61 1HG THR 61 -9.401 -0.137 -11.001 445 HG21 THR 61 1HG2 THR 61 -7.358 2.402 -11.941 446 HG22 THR 61 2HG2 THR 61 -8.340 3.783 -11.396 447 HG23 THR 61 3HG2 THR 61 -7.494 2.768 -10.204 448 H ASN 62 H ASN 62 -12.275 2.647 -9.668 449 HA ASN 62 HA ASN 62 -11.884 5.335 -9.500 450 HB2 ASN 62 1HB ASN 62 -14.065 3.864 -9.856 451 HB3 ASN 62 2HB ASN 62 -14.236 3.986 -8.116 452 HD21 ASN 62 1HD2 ASN 62 -14.843 5.860 -7.169 453 HD22 ASN 62 2HD2 ASN 62 -15.326 7.289 -8.020 454 H THR 63 H THR 63 -11.521 2.820 -7.090 455 HA THR 63 HA THR 63 -11.537 4.812 -4.923 456 HB THR 63 HB THR 63 -12.202 3.037 -3.492 457 HG1 THR 63 1HG THR 63 -11.206 1.378 -5.702 458 HG21 THR 63 1HG2 THR 63 -13.299 1.644 -5.906 459 HG22 THR 63 2HG2 THR 63 -14.146 2.207 -4.446 460 HG23 THR 63 3HG2 THR 63 -13.747 3.358 -5.744 461 H ARG 64 H ARG 64 -9.379 4.823 -6.762 462 HA ARG 64 HA ARG 64 -7.329 3.410 -5.283 463 HB2 ARG 64 1HB ARG 64 -7.604 3.381 -7.906 464 HB3 ARG 64 2HB ARG 64 -6.886 4.979 -7.854 465 HG2 ARG 64 1HG ARG 64 -5.386 3.057 -6.201 466 HG3 ARG 64 2HG ARG 64 -5.503 2.525 -7.867 467 HD2 ARG 64 1HD ARG 64 -4.648 4.759 -8.633 468 HD3 ARG 64 2HD ARG 64 -4.517 5.276 -6.964 469 HE ARG 64 HE ARG 64 -3.072 2.886 -7.063 470 HH11 ARG 64 2HH2 ARG 64 -2.932 5.972 -8.749 471 HH12 ARG 64 1HH2 ARG 64 -1.224 5.889 -9.024 472 HH21 ARG 64 2HH1 ARG 64 -0.819 2.776 -7.425 473 HH22 ARG 64 1HH1 ARG 64 -0.014 4.059 -8.266 474 H VAL 65 H VAL 65 -5.433 4.561 -4.477 475 HA VAL 65 HA VAL 65 -5.672 7.478 -4.506 476 HB VAL 65 HB VAL 65 -6.685 6.485 -2.439 477 HG11 VAL 65 1HG1 VAL 65 -4.029 5.201 -2.332 478 HG12 VAL 65 2HG1 VAL 65 -4.565 5.929 -0.798 479 HG13 VAL 65 3HG1 VAL 65 -5.577 4.707 -1.605 480 HG21 VAL 65 1HG2 VAL 65 -4.318 8.357 -2.322 481 HG22 VAL 65 2HG2 VAL 65 -6.055 8.738 -2.260 482 HG23 VAL 65 3HG2 VAL 65 -5.264 7.962 -0.867 483 H THR 66 H THR 66 -3.612 8.583 -4.120 484 HA THR 66 HA THR 66 -1.283 6.818 -4.432 485 HB THR 66 HB THR 66 -1.972 9.328 -6.050 486 HG1 THR 66 1HG THR 66 -3.019 7.529 -6.948 487 HG21 THR 66 1HG2 THR 66 0.228 9.408 -6.652 488 HG22 THR 66 2HG2 THR 66 0.587 8.133 -5.463 489 HG23 THR 66 3HG2 THR 66 0.157 7.696 -7.134 490 H HIS 67 H HIS 67 -0.259 7.013 -2.526 491 HA HIS 67 HA HIS 67 0.102 9.760 -1.567 492 HB2 HIS 67 1HB HIS 67 -0.361 7.182 -0.079 493 HB3 HIS 67 2HB HIS 67 0.466 8.521 0.692 494 HD1 HIS 67 1HD HIS 67 -1.450 10.704 -0.862 495 HD2 HIS 67 2HD HIS 67 -2.620 7.508 1.590 496 HE1 HIS 67 1HE HIS 67 -3.771 11.292 0.019 497 H TYR 68 H TYR 68 2.194 10.015 -0.241 498 HA TYR 68 HA TYR 68 4.286 8.256 -1.313 499 HB2 TYR 68 1HB TYR 68 3.992 11.312 -1.202 500 HB3 TYR 68 2HB TYR 68 5.575 10.577 -1.358 501 HD1 TYR 68 2HD TYR 68 5.689 8.718 -3.330 502 HD2 TYR 68 1HD TYR 68 2.946 11.997 -3.153 503 HE1 TYR 68 2HE TYR 68 5.381 8.606 -5.851 504 HE2 TYR 68 1HE TYR 68 2.648 11.874 -5.675 505 HH TYR 68 HH TYR 68 2.897 10.393 -7.444 506 H LEU 69 H LEU 69 5.995 7.807 0.096 507 HA LEU 69 HA LEU 69 5.914 9.179 2.679 508 HB2 LEU 69 1HB LEU 69 6.229 6.194 2.429 509 HB3 LEU 69 2HB LEU 69 6.060 7.145 3.892 510 HG LEU 69 HG LEU 69 3.866 6.999 1.820 511 HD11 LEU 69 1HD1 LEU 69 3.875 4.775 2.290 512 HD12 LEU 69 2HD1 LEU 69 4.656 4.993 3.874 513 HD13 LEU 69 3HD1 LEU 69 2.921 5.340 3.682 514 HD21 LEU 69 1HD2 LEU 69 3.902 7.753 4.754 515 HD22 LEU 69 2HD2 LEU 69 3.652 8.837 3.365 516 HD23 LEU 69 3HD2 LEU 69 2.436 7.597 3.756 517 HA PRO 70 HA PRO 70 10.201 9.248 2.201 518 HB2 PRO 70 1HB PRO 70 11.121 9.211 4.774 519 HB3 PRO 70 2HB PRO 70 10.480 10.650 4.006 520 HG2 PRO 70 1HG PRO 70 9.213 8.911 6.033 521 HG3 PRO 70 2HG PRO 70 8.791 10.548 5.574 522 HD2 PRO 70 1HD PRO 70 7.417 8.146 4.818 523 HD3 PRO 70 2HD PRO 70 7.067 9.772 4.267 524 H ASN 71 H ASN 71 12.401 8.224 2.783 525 HA ASN 71 HA ASN 71 11.937 5.444 2.348 526 HB2 ASN 71 1HB ASN 71 14.331 5.327 1.915 527 HB3 ASN 71 2HB ASN 71 13.754 6.812 1.186 528 HD21 ASN 71 1HD2 ASN 71 14.793 8.602 1.619 529 HD22 ASN 71 2HD2 ASN 71 15.853 8.902 2.956 530 H VAL 72 H VAL 72 11.334 6.872 5.025 531 HA VAL 72 HA VAL 72 13.100 5.243 6.719 532 HB VAL 72 HB VAL 72 12.908 6.884 8.419 533 HG11 VAL 72 1HG1 VAL 72 14.637 7.447 6.892 534 HG12 VAL 72 2HG1 VAL 72 13.482 8.091 5.701 535 HG13 VAL 72 3HG1 VAL 72 13.767 8.963 7.227 536 HG21 VAL 72 1HG2 VAL 72 11.486 8.772 8.405 537 HG22 VAL 72 2HG2 VAL 72 11.108 8.580 6.676 538 HG23 VAL 72 3HG2 VAL 72 10.469 7.416 7.861 539 H THR 73 H THR 73 9.856 6.029 5.642 540 HA THR 73 HA THR 73 8.729 4.399 7.811 541 HB THR 73 HB THR 73 7.637 6.525 5.915 542 HG1 THR 73 1HG THR 73 7.725 5.959 8.796 543 HG21 THR 73 1HG2 THR 73 5.426 6.138 7.033 544 HG22 THR 73 2HG2 THR 73 5.905 4.733 6.051 545 HG23 THR 73 3HG2 THR 73 6.092 4.688 7.821 546 H LEU 74 H LEU 74 7.476 2.572 7.412 547 HA LEU 74 HA LEU 74 7.373 1.712 4.620 548 HB2 LEU 74 1HB LEU 74 8.172 -0.223 6.765 549 HB3 LEU 74 2HB LEU 74 8.330 -0.365 5.026 550 HG LEU 74 HG LEU 74 9.869 1.828 6.323 551 HD11 LEU 74 1HD1 LEU 74 11.218 -0.807 6.420 552 HD12 LEU 74 2HD1 LEU 74 11.339 0.596 7.510 553 HD13 LEU 74 3HD1 LEU 74 9.961 -0.522 7.648 554 HD21 LEU 74 1HD2 LEU 74 9.785 0.573 3.812 555 HD22 LEU 74 2HD2 LEU 74 10.932 1.812 4.376 556 HD23 LEU 74 3HD2 LEU 74 11.331 0.086 4.546 557 H GLU 75 H GLU 75 5.635 2.736 7.098 558 HA GLU 75 HA GLU 75 3.526 0.847 6.502 559 HB2 GLU 75 1HB GLU 75 2.872 0.685 8.885 560 HB3 GLU 75 2HB GLU 75 4.480 0.042 8.622 561 HG2 GLU 75 1HG GLU 75 4.334 2.959 9.294 562 HG3 GLU 75 2HG GLU 75 3.885 1.855 10.579 563 H TYR 76 H TYR 76 1.357 1.752 6.804 564 HA TYR 76 HA TYR 76 1.137 4.497 7.623 565 HB2 TYR 76 1HB TYR 76 1.972 4.594 5.231 566 HB3 TYR 76 2HB TYR 76 0.697 3.497 4.740 567 HD1 TYR 76 1HD TYR 76 -1.655 4.265 4.633 568 HD2 TYR 76 2HD TYR 76 1.530 6.948 5.612 569 HE1 TYR 76 1HE TYR 76 -3.173 6.250 4.164 570 HE2 TYR 76 2HE TYR 76 0.001 8.924 5.141 571 HH TYR 76 HH TYR 76 -2.714 8.729 3.418 572 H ARG 77 H ARG 77 -1.103 5.184 7.822 573 HA ARG 77 HA ARG 77 -2.808 2.877 8.101 574 HB2 ARG 77 1HB ARG 77 -2.735 4.290 10.062 575 HB3 ARG 77 2HB ARG 77 -2.951 5.749 9.115 576 HG2 ARG 77 1HG ARG 77 -5.208 5.576 9.255 577 HG3 ARG 77 2HG ARG 77 -5.172 3.958 8.583 578 HD2 ARG 77 1HD ARG 77 -5.043 2.925 10.710 579 HD3 ARG 77 2HD ARG 77 -4.381 4.354 11.480 580 HE ARG 77 HE ARG 77 -7.225 3.813 10.930 581 HH11 ARG 77 2HH2 ARG 77 -4.820 6.232 11.793 582 HH12 ARG 77 1HH2 ARG 77 -5.977 7.319 12.486 583 HH21 ARG 77 2HH1 ARG 77 -8.751 5.246 11.845 584 HH22 ARG 77 1HH1 ARG 77 -8.228 6.755 12.516 585 H VAL 78 H VAL 78 -4.503 2.466 6.694 586 HA VAL 78 HA VAL 78 -5.004 4.489 4.648 587 HB VAL 78 HB VAL 78 -5.731 1.556 4.798 588 HG11 VAL 78 1HG1 VAL 78 -7.284 2.279 3.291 589 HG12 VAL 78 2HG1 VAL 78 -6.343 3.720 2.839 590 HG13 VAL 78 3HG1 VAL 78 -5.899 2.126 2.184 591 HG21 VAL 78 1HG2 VAL 78 -3.512 2.984 3.294 592 HG22 VAL 78 2HG2 VAL 78 -3.324 1.839 4.645 593 HG23 VAL 78 3HG2 VAL 78 -3.959 1.274 3.081 594 H THR 79 H THR 79 -7.091 5.306 4.230 595 HA THR 79 HA THR 79 -9.289 4.382 5.870 596 HB THR 79 HB THR 79 -9.634 6.650 6.870 597 HG1 THR 79 1HG THR 79 -8.363 7.622 5.003 598 HG21 THR 79 1HG2 THR 79 -7.843 6.639 8.484 599 HG22 THR 79 2HG2 THR 79 -8.061 4.932 8.031 600 HG23 THR 79 3HG2 THR 79 -6.719 5.872 7.336 601 H GLY 80 H GLY 80 -11.334 4.985 5.070 602 HA2 GLY 80 1HA GLY 80 -12.684 6.258 3.606 603 HA3 GLY 80 2HA GLY 80 -11.302 6.530 2.563 604 H LEU 81 H LEU 81 -11.729 3.311 3.952 605 HA LEU 81 HA LEU 81 -12.123 2.267 1.290 606 HB2 LEU 81 1HB LEU 81 -11.992 0.618 3.787 607 HB3 LEU 81 2HB LEU 81 -11.495 0.210 2.157 608 HG LEU 81 HG LEU 81 -10.063 2.359 3.712 609 HD11 LEU 81 1HD1 LEU 81 -8.661 -0.160 3.800 610 HD12 LEU 81 2HD1 LEU 81 -9.117 0.935 5.126 611 HD13 LEU 81 3HD1 LEU 81 -10.259 -0.311 4.569 612 HD21 LEU 81 1HD2 LEU 81 -8.907 2.511 1.825 613 HD22 LEU 81 2HD2 LEU 81 -8.315 0.855 2.099 614 HD23 LEU 81 3HD2 LEU 81 -9.778 1.128 1.122 615 H THR 82 H THR 82 -13.563 -0.129 2.650 616 HA THR 82 HA THR 82 -16.164 1.067 3.176 617 HB THR 82 HB THR 82 -15.798 -1.017 0.972 618 HG1 THR 82 1HG THR 82 -16.179 1.888 0.843 619 HG21 THR 82 1HG2 THR 82 -17.996 1.039 1.545 620 HG22 THR 82 2HG2 THR 82 -18.005 -0.179 0.247 621 HG23 THR 82 3HG2 THR 82 -18.114 -0.691 1.948 622 H ALA 83 H ALA 83 -17.500 -0.184 4.462 623 HA ALA 83 HA ALA 83 -16.218 -2.040 6.101 624 HB1 ALA 83 1HB ALA 83 -18.724 -2.532 6.711 625 HB2 ALA 83 2HB ALA 83 -18.040 -0.923 7.050 626 HB3 ALA 83 3HB ALA 83 -19.068 -1.170 5.618 627 H LEU 84 H LEU 84 -16.135 -4.288 6.128 628 HA LEU 84 HA LEU 84 -15.881 -6.247 5.081 629 HB2 LEU 84 1HB LEU 84 -18.843 -5.836 4.649 630 HB3 LEU 84 2HB LEU 84 -18.001 -7.373 4.645 631 HG LEU 84 HG LEU 84 -18.498 -5.529 6.986 632 HD11 LEU 84 1HD1 LEU 84 -19.157 -8.463 6.646 633 HD12 LEU 84 2HD1 LEU 84 -19.712 -7.354 7.923 634 HD13 LEU 84 3HD1 LEU 84 -20.278 -7.138 6.249 635 HD21 LEU 84 1HD2 LEU 84 -16.273 -6.146 7.376 636 HD22 LEU 84 2HD2 LEU 84 -17.232 -7.317 8.313 637 HD23 LEU 84 3HD2 LEU 84 -16.521 -7.795 6.752 638 H THR 85 H THR 85 -14.655 -4.727 3.407 639 HA THR 85 HA THR 85 -15.698 -5.526 0.791 640 HB THR 85 HB THR 85 -14.921 -2.717 1.708 641 HG1 THR 85 1HG THR 85 -17.148 -2.999 1.790 642 HG21 THR 85 1HG2 THR 85 -14.659 -2.011 -0.495 643 HG22 THR 85 2HG2 THR 85 -14.044 -3.669 -0.696 644 HG23 THR 85 3HG2 THR 85 -15.727 -3.286 -1.131 645 H THR 86 H THR 86 -14.156 -6.133 -0.701 646 HA THR 86 HA THR 86 -11.566 -6.688 0.445 647 HB THR 86 HB THR 86 -12.727 -7.251 -2.334 648 HG1 THR 86 1HG THR 86 -12.526 -8.851 0.116 649 HG21 THR 86 1HG2 THR 86 -10.638 -8.794 -0.721 650 HG22 THR 86 2HG2 THR 86 -11.106 -9.055 -2.418 651 HG23 THR 86 3HG2 THR 86 -10.194 -7.596 -1.961 652 H TYR 87 H TYR 87 -9.687 -5.634 0.137 653 HA TYR 87 HA TYR 87 -9.605 -3.664 -2.028 654 HB2 TYR 87 1HB TYR 87 -9.256 -3.399 0.992 655 HB3 TYR 87 2HB TYR 87 -8.270 -2.375 -0.033 656 HD1 TYR 87 1HD TYR 87 -9.343 -0.675 -1.509 657 HD2 TYR 87 2HD TYR 87 -11.613 -2.985 1.286 658 HE1 TYR 87 1HE TYR 87 -11.267 0.977 -1.696 659 HE2 TYR 87 2HE TYR 87 -13.529 -1.325 1.090 660 HH TYR 87 HH TYR 87 -14.092 0.695 0.386 661 H THR 88 H THR 88 -7.426 -3.096 -2.710 662 HA THR 88 HA THR 88 -5.396 -4.999 -1.742 663 HB THR 88 HB THR 88 -6.450 -4.411 -4.498 664 HG1 THR 88 1HG THR 88 -4.992 -6.589 -3.176 665 HG21 THR 88 1HG2 THR 88 -3.569 -5.313 -4.017 666 HG22 THR 88 2HG2 THR 88 -4.359 -4.993 -5.580 667 HG23 THR 88 3HG2 THR 88 -3.979 -3.644 -4.482 668 H ILE 89 H ILE 89 -3.766 -3.996 -0.764 669 HA ILE 89 HA ILE 89 -3.321 -1.195 -1.452 670 HB ILE 89 HB ILE 89 -2.048 -2.685 0.822 671 HG12 ILE 89 1HG1 ILE 89 -4.393 -3.190 1.053 672 HG13 ILE 89 2HG1 ILE 89 -3.940 -1.993 2.251 673 HG21 ILE 89 1HG2 ILE 89 -1.356 -0.678 1.522 674 HG22 ILE 89 2HG2 ILE 89 -1.719 -0.131 -0.132 675 HG23 ILE 89 3HG2 ILE 89 -2.918 0.096 1.163 676 HD11 ILE 89 1HD1 ILE 89 -5.144 -0.286 1.221 677 HD12 ILE 89 2HD1 ILE 89 -4.960 -0.993 -0.402 678 HD13 ILE 89 3HD1 ILE 89 -6.131 -1.689 0.745 679 H GLU 90 H GLU 90 -1.754 -0.680 -2.874 680 HA GLU 90 HA GLU 90 0.279 -2.705 -3.330 681 HB2 GLU 90 1HB GLU 90 -0.516 -0.302 -5.034 682 HB3 GLU 90 2HB GLU 90 0.686 -1.499 -5.475 683 HG2 GLU 90 1HG GLU 90 -0.890 -3.094 -6.005 684 HG3 GLU 90 2HG GLU 90 -1.949 -2.642 -4.684 685 H VAL 91 H VAL 91 2.223 -2.405 -2.340 686 HA VAL 91 HA VAL 91 2.960 0.357 -1.676 687 HB VAL 91 HB VAL 91 3.739 -2.297 -0.457 688 HG11 VAL 91 1HG1 VAL 91 5.391 -1.325 0.749 689 HG12 VAL 91 2HG1 VAL 91 5.414 -0.163 -0.599 690 HG13 VAL 91 3HG1 VAL 91 4.524 0.223 0.894 691 HG21 VAL 91 1HG2 VAL 91 2.032 0.011 0.520 692 HG22 VAL 91 2HG2 VAL 91 1.537 -1.675 0.237 693 HG23 VAL 91 3HG2 VAL 91 2.640 -1.284 1.578 694 H ALA 92 H ALA 92 4.453 1.267 -2.981 695 HA ALA 92 HA ALA 92 6.366 -0.560 -4.268 696 HB1 ALA 92 1HB ALA 92 6.227 1.845 -5.738 697 HB2 ALA 92 2HB ALA 92 5.572 0.258 -6.206 698 HB3 ALA 92 3HB ALA 92 4.541 1.429 -5.348 699 H ALA 93 H ALA 93 8.531 0.428 -4.696 700 HA ALA 93 HA ALA 93 9.215 2.199 -2.468 701 HB1 ALA 93 1HB ALA 93 10.417 0.122 -2.429 702 HB2 ALA 93 2HB ALA 93 10.802 0.238 -4.163 703 HB3 ALA 93 3HB ALA 93 11.557 1.361 -3.006 704 H MET 94 H MET 94 11.108 3.757 -2.991 705 HA MET 94 HA MET 94 10.927 4.683 -5.733 706 HB2 MET 94 1HB MET 94 10.362 6.291 -3.191 707 HB3 MET 94 2HB MET 94 10.810 7.085 -4.688 708 HG2 MET 94 1HG MET 94 8.862 5.803 -5.803 709 HG3 MET 94 2HG MET 94 8.356 5.341 -4.191 710 HE1 MET 94 1HE MET 94 8.784 7.489 -2.289 711 HE2 MET 94 2HE MET 94 9.935 8.438 -3.260 712 HE3 MET 94 3HE MET 94 8.404 9.172 -2.724 713 H THR 95 H THR 95 12.905 5.312 -6.553 714 HA THR 95 HA THR 95 15.061 5.703 -4.581 715 HB THR 95 HB THR 95 16.381 4.739 -6.741 716 HG1 THR 95 1HG THR 95 14.810 4.042 -8.135 717 HG21 THR 95 1HG2 THR 95 15.383 2.336 -5.777 718 HG22 THR 95 2HG2 THR 95 16.727 3.232 -5.028 719 HG23 THR 95 3HG2 THR 95 15.071 3.429 -4.407 720 H SER 96 H SER 96 17.058 6.497 -6.383 721 HA SER 96 HA SER 96 16.170 9.173 -6.778 722 HB2 SER 96 1HB SER 96 18.434 9.725 -6.938 723 HB3 SER 96 2HB SER 96 18.502 8.288 -5.939 724 HG SER 96 HG SER 96 18.679 7.185 -8.231 725 H LYS 97 H LYS 97 15.583 6.486 -8.525 726 HA LYS 97 HA LYS 97 16.063 7.814 -11.101 727 HB2 LYS 97 1HB LYS 97 16.961 5.907 -11.800 728 HB3 LYS 97 2HB LYS 97 16.737 5.205 -10.211 729 HG2 LYS 97 1HG LYS 97 15.535 3.740 -11.638 730 HG3 LYS 97 2HG LYS 97 14.283 4.744 -10.935 731 HD2 LYS 97 1HD LYS 97 15.186 6.151 -13.245 732 HD3 LYS 97 2HD LYS 97 15.058 4.474 -13.735 733 HE2 LYS 97 1HE LYS 97 12.748 5.136 -12.110 734 HE3 LYS 97 2HE LYS 97 12.931 6.365 -13.345 735 HZ1 LYS 97 1HZ LYS 97 11.885 4.848 -14.574 736 HZ2 LYS 97 2HZ LYS 97 13.358 4.164 -14.747 737 HZ3 LYS 97 3HZ LYS 97 12.312 3.581 -13.636 738 H GLY 98 H GLY 98 13.738 5.984 -9.048 739 HA2 GLY 98 1HA GLY 98 11.514 7.438 -9.611 740 HA3 GLY 98 2HA GLY 98 11.587 6.294 -10.936 741 H GLN 99 H GLN 99 9.721 5.114 -10.282 742 HA GLN 99 HA GLN 99 9.961 3.825 -7.687 743 HB2 GLN 99 1HB GLN 99 7.868 5.085 -8.102 744 HB3 GLN 99 2HB GLN 99 7.553 4.129 -9.536 745 HG2 GLN 99 1HG GLN 99 7.739 2.061 -7.898 746 HG3 GLN 99 2HG GLN 99 7.494 3.248 -6.633 747 HE21 GLN 99 1HE2 GLN 99 6.119 1.532 -9.298 748 HE22 GLN 99 2HE2 GLN 99 4.469 2.027 -9.110 749 H GLY 100 H GLY 100 9.776 1.517 -7.488 750 HA2 GLY 100 1HA GLY 100 10.379 0.097 -10.002 751 HA3 GLY 100 2HA GLY 100 10.875 -0.389 -8.393 752 H GLN 101 H GLN 101 9.911 -2.492 -8.609 753 HA GLN 101 HA GLN 101 7.382 -2.986 -9.470 754 HB2 GLN 101 1HB GLN 101 9.479 -4.422 -8.198 755 HB3 GLN 101 2HB GLN 101 8.052 -4.724 -7.227 756 HG2 GLN 101 1HG GLN 101 7.115 -6.039 -8.832 757 HG3 GLN 101 2HG GLN 101 7.412 -4.853 -10.087 758 HE21 GLN 101 1HE2 GLN 101 9.554 -4.716 -11.010 759 HE22 GLN 101 2HE2 GLN 101 10.540 -6.133 -11.148 760 H VAL 102 H VAL 102 5.763 -4.186 -7.632 761 HA VAL 102 HA VAL 102 5.452 -2.444 -5.350 762 HB VAL 102 HB VAL 102 4.323 -1.496 -7.537 763 HG11 VAL 102 1HG1 VAL 102 2.062 -2.221 -7.898 764 HG12 VAL 102 2HG1 VAL 102 3.113 -3.655 -7.979 765 HG13 VAL 102 3HG1 VAL 102 2.142 -3.345 -6.520 766 HG21 VAL 102 1HG2 VAL 102 4.182 -0.770 -5.042 767 HG22 VAL 102 2HG2 VAL 102 2.936 -0.205 -6.180 768 HG23 VAL 102 3HG2 VAL 102 2.586 -1.556 -5.075 769 H SER 103 H SER 103 4.092 -3.381 -3.723 770 HA SER 103 HA SER 103 3.523 -6.182 -4.300 771 HB2 SER 103 1HB SER 103 4.612 -4.761 -1.888 772 HB3 SER 103 2HB SER 103 3.573 -6.140 -1.594 773 HG SER 103 HG SER 103 5.464 -7.179 -1.822 774 H ALA 104 H ALA 104 1.343 -6.255 -4.823 775 HA ALA 104 HA ALA 104 -0.480 -4.614 -3.237 776 HB1 ALA 104 1HB ALA 104 -0.307 -4.999 -5.925 777 HB2 ALA 104 2HB ALA 104 -1.468 -6.278 -5.498 778 HB3 ALA 104 3HB ALA 104 -1.820 -4.583 -5.085 779 H SER 105 H SER 105 -1.536 -5.501 -1.537 780 HA SER 105 HA SER 105 -1.841 -8.402 -1.605 781 HB2 SER 105 1HB SER 105 -0.548 -6.731 0.348 782 HB3 SER 105 2HB SER 105 -1.990 -7.390 1.095 783 HG SER 105 HG SER 105 0.036 -8.723 1.232 784 H THR 106 H THR 106 -3.946 -9.130 -1.495 785 HA THR 106 HA THR 106 -6.044 -7.178 -1.320 786 HB THR 106 HB THR 106 -6.549 -10.148 -1.316 787 HG1 THR 106 1HG THR 106 -5.385 -8.554 -3.488 788 HG21 THR 106 1HG2 THR 106 -7.586 -7.660 -2.692 789 HG22 THR 106 2HG2 THR 106 -7.736 -9.219 -3.537 790 HG23 THR 106 3HG2 THR 106 -8.501 -8.992 -1.946 791 H ILE 107 H ILE 107 -7.336 -6.647 0.354 792 HA ILE 107 HA ILE 107 -7.389 -8.408 2.656 793 HB ILE 107 HB ILE 107 -5.504 -7.117 3.235 794 HG12 ILE 107 1HG1 ILE 107 -6.477 -5.640 5.127 795 HG13 ILE 107 2HG1 ILE 107 -8.044 -6.214 4.590 796 HG21 ILE 107 1HG2 ILE 107 -7.008 -4.885 1.972 797 HG22 ILE 107 2HG2 ILE 107 -5.971 -4.483 3.362 798 HG23 ILE 107 3HG2 ILE 107 -5.272 -5.278 1.930 799 HD11 ILE 107 1HD1 ILE 107 -5.925 -8.304 4.959 800 HD12 ILE 107 2HD1 ILE 107 -6.563 -7.534 6.432 801 HD13 ILE 107 3HD1 ILE 107 -7.667 -8.375 5.319 802 H SER 108 H SER 108 -9.416 -8.488 3.515 803 HA SER 108 HA SER 108 -11.291 -6.583 2.390 804 HB2 SER 108 1HB SER 108 -11.862 -8.923 2.018 805 HB3 SER 108 2HB SER 108 -11.669 -9.298 3.719 806 HG SER 108 HG SER 108 -13.450 -7.603 4.033 807 H SER 109 H SER 109 -12.008 -4.914 3.662 808 HA SER 109 HA SER 109 -11.132 -4.256 6.044 809 HB2 SER 109 1HB SER 109 -13.434 -3.128 6.415 810 HB3 SER 109 2HB SER 109 -12.553 -2.708 4.960 811 HG SER 109 HG SER 109 -14.836 -3.190 4.578 812 H GLY 110 H GLY 110 -11.492 -4.721 8.249 813 HA2 GLY 110 1HA GLY 110 -12.280 -7.269 8.981 814 HA3 GLY 110 2HA GLY 110 -12.147 -5.889 10.053 815 H VAL 111 H VAL 111 -14.030 -4.493 10.413 816 HA VAL 111 HA VAL 111 -16.502 -4.914 9.227 817 HB VAL 111 HB VAL 111 -16.452 -7.123 10.177 818 HG11 VAL 111 1HG1 VAL 111 -14.819 -6.763 11.962 819 HG12 VAL 111 2HG1 VAL 111 -15.996 -5.774 12.860 820 HG13 VAL 111 3HG1 VAL 111 -16.301 -7.509 12.607 821 HG21 VAL 111 1HG2 VAL 111 -18.321 -5.170 11.536 822 HG22 VAL 111 2HG2 VAL 111 -18.637 -6.229 10.140 823 HG23 VAL 111 3HG2 VAL 111 -18.453 -6.930 11.766 824 HA PRO 112 HA PRO 112 -16.931 -1.275 11.529 825 HB2 PRO 112 1HB PRO 112 -19.548 -0.687 11.006 826 HB3 PRO 112 2HB PRO 112 -18.243 -0.321 9.895 827 HG2 PRO 112 1HG PRO 112 -20.266 -2.471 9.734 828 HG3 PRO 112 2HG PRO 112 -19.246 -1.826 8.464 829 HD2 PRO 112 1HD PRO 112 -18.889 -4.307 9.860 830 HD3 PRO 112 2HD PRO 112 -17.807 -3.607 8.672 831 HA PRO 113 HA PRO 113 -18.381 -2.641 15.315 832 HB2 PRO 113 1HB PRO 113 -17.417 -0.608 16.865 833 HB3 PRO 113 2HB PRO 113 -16.459 -2.004 16.412 834 HG2 PRO 113 1HG PRO 113 -16.324 0.756 15.362 835 HG3 PRO 113 2HG PRO 113 -15.131 -0.522 15.246 836 HD2 PRO 113 1HD PRO 113 -16.903 0.365 13.173 837 HD3 PRO 113 2HD PRO 113 -15.792 -0.988 13.094 838 H SER 114 H SER 114 -20.379 -1.848 13.778 839 HA SER 114 HA SER 114 -21.567 0.451 14.974 840 HB2 SER 114 1HB SER 114 -21.954 -1.172 12.597 841 HB3 SER 114 2HB SER 114 -23.488 -0.998 13.428 842 HG SER 114 HG SER 114 -23.531 1.136 13.022 843 H GLY 115 H GLY 115 -23.128 0.484 16.597 844 HA2 GLY 115 1HA GLY 115 -24.981 -0.518 17.699 845 HA3 GLY 115 2HA GLY 115 -24.288 -2.103 17.413 846 HA PRO 116 HA PRO 116 -22.854 -0.268 21.471 847 HB2 PRO 116 1HB PRO 116 -24.797 -1.016 23.241 848 HB3 PRO 116 2HB PRO 116 -24.702 0.589 22.544 849 HG2 PRO 116 1HG PRO 116 -26.570 -1.607 21.891 850 HG3 PRO 116 2HG PRO 116 -26.716 0.102 21.532 851 HD2 PRO 116 1HD PRO 116 -25.977 -1.979 19.702 852 HD3 PRO 116 2HD PRO 116 -26.012 -0.258 19.373 853 H SER 117 H SER 117 -22.598 -1.543 23.730 854 HA SER 117 HA SER 117 -21.408 -3.956 22.822 855 HB2 SER 117 1HB SER 117 -20.688 -4.171 25.217 856 HB3 SER 117 2HB SER 117 -20.249 -2.634 24.499 857 HG SER 117 HG SER 117 -22.005 -3.188 26.610 858 H SER 118 H SER 118 -24.534 -3.028 23.849 859 HA SER 118 HA SER 118 -25.113 -5.497 25.180 860 HB2 SER 118 1HB SER 118 -26.122 -3.098 25.616 861 HB3 SER 118 2HB SER 118 -27.189 -3.481 24.280 862 HG SER 118 HG SER 118 -27.588 -5.578 25.563 863 H GLY 119 H GLY 119 -26.346 -3.740 22.233 864 HA2 GLY 119 1HA GLY 119 -27.576 -6.149 21.216 865 HA3 GLY 119 2HA GLY 119 -27.555 -4.558 20.481 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.043 -10.917 -5.699 2 HA2 GLY 1 1HA GLY 1 -1.584 -11.485 -2.932 3 HA3 GLY 1 2HA GLY 1 -1.249 -12.871 -3.951 4 H SER 2 H SER 2 0.885 -11.858 -2.594 5 HA SER 2 HA SER 2 2.191 -9.969 -4.335 6 HB2 SER 2 1HB SER 2 2.682 -11.064 -1.578 7 HB3 SER 2 2HB SER 2 4.073 -10.486 -2.472 8 HG SER 2 HG SER 2 1.661 -8.958 -1.972 9 H SER 3 H SER 3 4.488 -10.445 -5.075 10 HA SER 3 HA SER 3 4.721 -13.297 -5.644 11 HB2 SER 3 1HB SER 3 4.255 -12.014 -7.678 12 HB3 SER 3 2HB SER 3 5.550 -10.889 -7.319 13 HG SER 3 HG SER 3 5.698 -13.210 -8.694 14 H GLY 4 H GLY 4 6.969 -14.153 -5.775 15 HA2 GLY 4 1HA GLY 4 9.121 -12.482 -4.811 16 HA3 GLY 4 2HA GLY 4 8.555 -13.665 -3.649 17 H SER 5 H SER 5 8.194 -15.999 -4.681 18 HA SER 5 HA SER 5 10.550 -17.071 -5.241 19 HB2 SER 5 1HB SER 5 9.235 -18.922 -6.442 20 HB3 SER 5 2HB SER 5 8.715 -18.527 -4.816 21 HG SER 5 HG SER 5 6.790 -18.074 -5.610 22 H SER 6 H SER 6 11.466 -18.057 -7.309 23 HA SER 6 HA SER 6 10.783 -16.413 -9.612 24 HB2 SER 6 1HB SER 6 13.622 -17.164 -8.790 25 HB3 SER 6 2HB SER 6 13.169 -16.190 -10.174 26 HG SER 6 HG SER 6 13.238 -14.494 -8.885 27 H GLY 7 H GLY 7 9.508 -18.342 -10.245 28 HA2 GLY 7 1HA GLY 7 11.129 -20.703 -10.927 29 HA3 GLY 7 2HA GLY 7 9.386 -20.644 -10.755 30 HA PRO 8 HA PRO 8 9.585 -20.303 -15.133 31 HB2 PRO 8 1HB PRO 8 6.956 -20.862 -15.629 32 HB3 PRO 8 2HB PRO 8 8.182 -22.101 -15.449 33 HG2 PRO 8 1HG PRO 8 6.082 -21.282 -13.537 34 HG3 PRO 8 2HG PRO 8 7.022 -22.760 -13.568 35 HD2 PRO 8 1HD PRO 8 7.402 -20.521 -11.816 36 HD3 PRO 8 2HD PRO 8 8.412 -21.948 -11.926 37 H GLN 9 H GLN 9 9.781 -18.481 -16.259 38 HA GLN 9 HA GLN 9 7.560 -16.654 -15.983 39 HB2 GLN 9 1HB GLN 9 9.022 -14.724 -15.551 40 HB3 GLN 9 2HB GLN 9 9.205 -15.916 -14.280 41 HG2 GLN 9 1HG GLN 9 11.082 -16.487 -16.438 42 HG3 GLN 9 2HG GLN 9 11.252 -14.817 -15.936 43 HE21 GLN 9 1HE2 GLN 9 12.929 -17.261 -15.585 44 HE22 GLN 9 2HE2 GLN 9 13.276 -17.371 -13.892 45 H LEU 10 H LEU 10 7.864 -14.750 -17.649 46 HA LEU 10 HA LEU 10 9.454 -15.602 -19.933 47 HB2 LEU 10 1HB LEU 10 6.564 -15.834 -19.729 48 HB3 LEU 10 2HB LEU 10 7.038 -14.793 -21.057 49 HG LEU 10 HG LEU 10 8.596 -17.278 -20.944 50 HD11 LEU 10 1HD1 LEU 10 6.618 -18.606 -21.909 51 HD12 LEU 10 2HD1 LEU 10 6.710 -18.398 -20.143 52 HD13 LEU 10 3HD1 LEU 10 5.589 -17.400 -21.101 53 HD21 LEU 10 1HD2 LEU 10 7.991 -17.336 -23.343 54 HD22 LEU 10 2HD2 LEU 10 6.950 -15.913 -23.091 55 HD23 LEU 10 3HD2 LEU 10 8.708 -15.786 -22.841 56 H VAL 11 H VAL 11 10.271 -13.884 -21.120 57 HA VAL 11 HA VAL 11 10.839 -11.800 -21.581 58 HB VAL 11 HB VAL 11 8.019 -11.250 -20.645 59 HG11 VAL 11 1HG1 VAL 11 8.338 -9.052 -20.858 60 HG12 VAL 11 2HG1 VAL 11 10.084 -9.365 -21.003 61 HG13 VAL 11 3HG1 VAL 11 9.073 -9.264 -22.465 62 HG21 VAL 11 1HG2 VAL 11 8.888 -11.068 -23.499 63 HG22 VAL 11 2HG2 VAL 11 8.706 -12.688 -22.784 64 HG23 VAL 11 3HG2 VAL 11 7.326 -11.564 -22.804 65 H ARG 12 H ARG 12 12.552 -11.416 -20.215 66 HA ARG 12 HA ARG 12 11.847 -9.963 -17.819 67 HB2 ARG 12 1HB ARG 12 12.414 -12.513 -17.410 68 HB3 ARG 12 2HB ARG 12 14.071 -12.036 -17.723 69 HG2 ARG 12 1HG ARG 12 13.698 -10.174 -15.943 70 HG3 ARG 12 2HG ARG 12 12.235 -11.036 -15.510 71 HD2 ARG 12 1HD ARG 12 14.060 -13.111 -15.545 72 HD3 ARG 12 2HD ARG 12 15.085 -11.784 -15.034 73 HE ARG 12 HE ARG 12 12.856 -11.475 -13.432 74 HH11 ARG 12 2HH2 ARG 12 14.983 -14.195 -14.112 75 HH12 ARG 12 1HH2 ARG 12 14.756 -14.926 -12.558 76 HH21 ARG 12 2HH1 ARG 12 12.556 -12.439 -11.382 77 HH22 ARG 12 1HH1 ARG 12 13.365 -13.920 -10.995 78 H THR 13 H THR 13 13.374 -8.311 -17.290 79 HA THR 13 HA THR 13 15.871 -8.245 -18.784 80 HB THR 13 HB THR 13 15.328 -5.947 -19.637 81 HG1 THR 13 1HG THR 13 12.743 -6.748 -18.494 82 HG21 THR 13 1HG2 THR 13 13.931 -6.594 -21.431 83 HG22 THR 13 2HG2 THR 13 14.556 -8.172 -20.893 84 HG23 THR 13 3HG2 THR 13 12.930 -7.642 -20.397 85 H HIS 14 H HIS 14 16.917 -5.888 -18.129 86 HA HIS 14 HA HIS 14 16.946 -6.075 -15.225 87 HB2 HIS 14 1HB HIS 14 19.032 -6.291 -16.703 88 HB3 HIS 14 2HB HIS 14 18.891 -4.566 -16.977 89 HD1 HIS 14 1HD HIS 14 20.167 -7.041 -14.567 90 HD2 HIS 14 2HD HIS 14 19.149 -2.972 -14.523 91 HE1 HIS 14 1HE HIS 14 21.236 -6.060 -12.468 92 H GLU 15 H GLU 15 16.253 -4.431 -13.899 93 HA GLU 15 HA GLU 15 15.461 -1.986 -15.281 94 HB2 GLU 15 1HB GLU 15 14.009 -3.552 -13.118 95 HB3 GLU 15 2HB GLU 15 13.647 -1.865 -13.426 96 HG2 GLU 15 1HG GLU 15 12.502 -2.343 -15.342 97 HG3 GLU 15 2HG GLU 15 13.746 -3.433 -15.919 98 H ASP 16 H ASP 16 15.719 0.013 -14.089 99 HA ASP 16 HA ASP 16 17.940 -0.094 -12.352 100 HB2 ASP 16 1HB ASP 16 17.381 1.760 -14.018 101 HB3 ASP 16 2HB ASP 16 16.086 2.258 -12.947 102 H VAL 17 H VAL 17 14.563 1.267 -12.031 103 HA VAL 17 HA VAL 17 14.524 1.852 -9.405 104 HB VAL 17 HB VAL 17 12.050 1.063 -9.588 105 HG11 VAL 17 1HG1 VAL 17 11.537 3.058 -11.033 106 HG12 VAL 17 2HG1 VAL 17 12.645 3.385 -9.679 107 HG13 VAL 17 3HG1 VAL 17 13.284 3.217 -11.332 108 HG21 VAL 17 1HG2 VAL 17 11.199 0.555 -11.723 109 HG22 VAL 17 2HG2 VAL 17 12.702 1.046 -12.539 110 HG23 VAL 17 3HG2 VAL 17 12.661 -0.450 -11.576 111 HA PRO 18 HA PRO 18 14.704 -1.818 -7.131 112 HB2 PRO 18 1HB PRO 18 13.014 -1.385 -5.028 113 HB3 PRO 18 2HB PRO 18 14.628 -0.709 -5.115 114 HG2 PRO 18 1HG PRO 18 12.029 0.639 -5.523 115 HG3 PRO 18 2HG PRO 18 13.595 1.352 -5.187 116 HD2 PRO 18 1HD PRO 18 12.259 1.262 -7.724 117 HD3 PRO 18 2HD PRO 18 13.872 1.870 -7.410 118 H GLY 19 H GLY 19 13.323 -3.585 -5.854 119 HA2 GLY 19 1HA GLY 19 11.318 -4.379 -7.859 120 HA3 GLY 19 2HA GLY 19 12.200 -5.444 -6.782 121 HA PRO 20 HA PRO 20 8.242 -4.845 -4.745 122 HB2 PRO 20 1HB PRO 20 7.861 -7.448 -4.005 123 HB3 PRO 20 2HB PRO 20 7.246 -6.777 -5.503 124 HG2 PRO 20 1HG PRO 20 9.553 -8.578 -5.088 125 HG3 PRO 20 2HG PRO 20 8.674 -8.244 -6.567 126 HD2 PRO 20 1HD PRO 20 11.247 -7.213 -5.829 127 HD3 PRO 20 2HD PRO 20 10.317 -6.789 -7.252 128 H VAL 21 H VAL 21 7.845 -4.242 -2.678 129 HA VAL 21 HA VAL 21 10.050 -4.205 -0.967 130 HB VAL 21 HB VAL 21 8.271 -3.562 0.732 131 HG11 VAL 21 1HG1 VAL 21 9.517 -1.865 -0.427 132 HG12 VAL 21 2HG1 VAL 21 8.532 -2.068 -1.896 133 HG13 VAL 21 3HG1 VAL 21 7.804 -1.381 -0.424 134 HG21 VAL 21 1HG2 VAL 21 6.251 -2.992 -1.268 135 HG22 VAL 21 2HG2 VAL 21 6.557 -4.742 -1.156 136 HG23 VAL 21 3HG2 VAL 21 6.097 -3.824 0.297 137 H GLY 22 H GLY 22 9.408 -5.033 1.528 138 HA2 GLY 22 1HA GLY 22 9.935 -7.777 1.479 139 HA3 GLY 22 2HA GLY 22 9.431 -6.836 2.868 140 H HIS 23 H HIS 23 7.911 -8.224 3.787 141 HA HIS 23 HA HIS 23 5.797 -9.180 2.023 142 HB2 HIS 23 1HB HIS 23 5.872 -10.039 4.857 143 HB3 HIS 23 2HB HIS 23 5.544 -10.962 3.404 144 HD1 HIS 23 1HD HIS 23 7.340 -12.569 2.751 145 HD2 HIS 23 2HD HIS 23 8.830 -9.389 5.044 146 HE1 HIS 23 1HE HIS 23 9.814 -13.063 3.135 147 H LEU 24 H LEU 24 4.216 -7.658 1.776 148 HA LEU 24 HA LEU 24 3.674 -5.583 3.458 149 HB2 LEU 24 1HB LEU 24 2.525 -6.810 1.155 150 HB3 LEU 24 2HB LEU 24 1.231 -6.462 2.285 151 HG LEU 24 HG LEU 24 2.510 -4.096 2.389 152 HD11 LEU 24 1HD1 LEU 24 2.775 -4.288 -0.498 153 HD12 LEU 24 2HD1 LEU 24 3.900 -3.633 0.716 154 HD13 LEU 24 3HD1 LEU 24 3.906 -5.374 0.345 155 HD21 LEU 24 1HD2 LEU 24 0.822 -3.226 0.912 156 HD22 LEU 24 2HD2 LEU 24 0.566 -4.830 0.184 157 HD23 LEU 24 3HD2 LEU 24 0.117 -4.542 1.882 158 H SER 25 H SER 25 1.983 -5.177 5.044 159 HA SER 25 HA SER 25 0.864 -7.569 6.216 160 HB2 SER 25 1HB SER 25 3.068 -7.056 7.373 161 HB3 SER 25 2HB SER 25 2.393 -5.520 7.879 162 HG SER 25 HG SER 25 0.810 -7.798 8.449 163 H PHE 26 H PHE 26 -1.006 -7.089 7.635 164 HA PHE 26 HA PHE 26 -1.934 -4.322 7.432 165 HB2 PHE 26 1HB PHE 26 -3.427 -6.943 6.817 166 HB3 PHE 26 2HB PHE 26 -4.221 -5.383 6.912 167 HD1 PHE 26 1HD PHE 26 -2.101 -3.738 5.508 168 HD2 PHE 26 2HD PHE 26 -3.837 -7.494 4.567 169 HE1 PHE 26 1HE PHE 26 -1.626 -3.348 3.074 170 HE2 PHE 26 2HE PHE 26 -3.362 -7.104 2.134 171 HZ PHE 26 HZ PHE 26 -2.262 -5.036 1.416 172 H SER 27 H SER 27 -2.630 -3.545 9.372 173 HA SER 27 HA SER 27 -3.730 -5.455 11.242 174 HB2 SER 27 1HB SER 27 -2.351 -4.365 13.099 175 HB3 SER 27 2HB SER 27 -1.468 -5.416 12.010 176 HG SER 27 HG SER 27 -0.285 -3.759 11.332 177 H GLU 28 H GLU 28 -4.454 -4.011 13.346 178 HA GLU 28 HA GLU 28 -6.085 -2.670 13.943 179 HB2 GLU 28 1HB GLU 28 -3.992 -0.827 12.769 180 HB3 GLU 28 2HB GLU 28 -5.461 -0.148 13.441 181 HG2 GLU 28 1HG GLU 28 -3.582 -2.039 14.936 182 HG3 GLU 28 2HG GLU 28 -3.587 -0.296 15.115 183 H ILE 29 H ILE 29 -6.964 -3.967 11.700 184 HA ILE 29 HA ILE 29 -7.825 -2.035 9.744 185 HB ILE 29 HB ILE 29 -8.611 -4.934 9.990 186 HG12 ILE 29 1HG1 ILE 29 -6.053 -3.696 9.027 187 HG13 ILE 29 2HG1 ILE 29 -6.300 -5.135 9.996 188 HG21 ILE 29 1HG2 ILE 29 -8.249 -3.777 7.332 189 HG22 ILE 29 2HG2 ILE 29 -9.608 -4.707 8.008 190 HG23 ILE 29 3HG2 ILE 29 -9.505 -2.951 8.285 191 HD11 ILE 29 1HD1 ILE 29 -5.881 -6.198 7.999 192 HD12 ILE 29 2HD1 ILE 29 -7.616 -5.900 7.731 193 HD13 ILE 29 3HD1 ILE 29 -6.405 -4.800 7.030 194 H LEU 30 H LEU 30 -9.907 -1.217 9.471 195 HA LEU 30 HA LEU 30 -11.741 -1.842 11.681 196 HB2 LEU 30 1HB LEU 30 -11.255 0.778 10.260 197 HB3 LEU 30 2HB LEU 30 -12.581 0.487 11.367 198 HG LEU 30 HG LEU 30 -10.829 1.675 12.508 199 HD11 LEU 30 1HD1 LEU 30 -10.769 0.445 14.455 200 HD12 LEU 30 2HD1 LEU 30 -12.122 -0.323 13.589 201 HD13 LEU 30 3HD1 LEU 30 -10.520 -1.099 13.605 202 HD21 LEU 30 1HD2 LEU 30 -9.071 0.370 10.882 203 HD22 LEU 30 2HD2 LEU 30 -8.624 1.307 12.328 204 HD23 LEU 30 3HD2 LEU 30 -8.803 -0.461 12.433 205 H ASP 31 H ASP 31 -13.314 0.252 9.675 206 HA ASP 31 HA ASP 31 -14.431 -1.985 8.181 207 HB2 ASP 31 1HB ASP 31 -16.362 -0.114 7.957 208 HB3 ASP 31 2HB ASP 31 -16.282 -1.212 9.320 209 H THR 32 H THR 32 -13.124 1.339 8.136 210 HA THR 32 HA THR 32 -12.936 1.181 5.224 211 HB THR 32 HB THR 32 -13.984 3.321 4.915 212 HG1 THR 32 1HG THR 32 -13.047 4.451 6.686 213 HG21 THR 32 1HG2 THR 32 -16.175 3.186 6.015 214 HG22 THR 32 2HG2 THR 32 -15.678 1.534 5.577 215 HG23 THR 32 3HG2 THR 32 -15.524 2.094 7.260 216 H SER 33 H SER 33 -11.104 0.803 7.586 217 HA SER 33 HA SER 33 -9.029 2.394 6.502 218 HB2 SER 33 1HB SER 33 -8.429 3.350 8.843 219 HB3 SER 33 2HB SER 33 -9.694 4.148 7.930 220 HG SER 33 HG SER 33 -11.224 2.689 9.172 221 H LEU 34 H LEU 34 -6.949 1.517 7.052 222 HA LEU 34 HA LEU 34 -6.785 -0.465 9.124 223 HB2 LEU 34 1HB LEU 34 -6.061 -2.271 7.627 224 HB3 LEU 34 2HB LEU 34 -7.753 -1.851 7.453 225 HG LEU 34 HG LEU 34 -6.891 -0.362 5.461 226 HD11 LEU 34 1HD1 LEU 34 -4.946 -1.214 4.322 227 HD12 LEU 34 2HD1 LEU 34 -4.493 -0.745 5.978 228 HD13 LEU 34 3HD1 LEU 34 -4.710 -2.463 5.568 229 HD21 LEU 34 1HD2 LEU 34 -8.203 -2.727 5.642 230 HD22 LEU 34 2HD2 LEU 34 -7.828 -1.900 4.111 231 HD23 LEU 34 3HD2 LEU 34 -6.778 -3.214 4.693 232 H LYS 35 H LYS 35 -4.473 -1.299 9.291 233 HA LYS 35 HA LYS 35 -2.703 0.899 8.518 234 HB2 LYS 35 1HB LYS 35 -2.839 0.574 10.896 235 HB3 LYS 35 2HB LYS 35 -2.560 -1.149 10.744 236 HG2 LYS 35 1HG LYS 35 -0.339 -0.747 10.953 237 HG3 LYS 35 2HG LYS 35 -0.378 0.034 9.385 238 HD2 LYS 35 1HD LYS 35 -1.429 1.898 11.325 239 HD3 LYS 35 2HD LYS 35 0.061 1.239 11.969 240 HE2 LYS 35 1HE LYS 35 1.100 1.727 9.634 241 HE3 LYS 35 2HE LYS 35 -0.339 2.676 9.313 242 HZ1 LYS 35 1HZ LYS 35 1.709 3.137 11.339 243 HZ2 LYS 35 2HZ LYS 35 1.130 4.171 10.216 244 HZ3 LYS 35 3HZ LYS 35 0.220 3.784 11.516 245 H VAL 36 H VAL 36 -1.170 0.601 6.984 246 HA VAL 36 HA VAL 36 -0.798 -2.150 6.053 247 HB VAL 36 HB VAL 36 -0.354 0.537 4.743 248 HG11 VAL 36 1HG1 VAL 36 0.474 -0.522 2.819 249 HG12 VAL 36 2HG1 VAL 36 1.318 -1.339 4.157 250 HG13 VAL 36 3HG1 VAL 36 -0.062 -2.131 3.359 251 HG21 VAL 36 1HG2 VAL 36 -2.427 0.350 3.935 252 HG22 VAL 36 2HG2 VAL 36 -2.107 -1.301 3.351 253 HG23 VAL 36 3HG2 VAL 36 -2.668 -1.041 5.020 254 H SER 37 H SER 37 1.303 -3.030 5.801 255 HA SER 37 HA SER 37 3.485 -1.377 6.705 256 HB2 SER 37 1HB SER 37 3.359 -2.264 8.798 257 HB3 SER 37 2HB SER 37 2.273 -3.544 8.293 258 HG SER 37 HG SER 37 5.155 -3.488 8.152 259 H TRP 38 H TRP 38 5.650 -2.544 6.317 260 HA TRP 38 HA TRP 38 5.653 -4.885 4.719 261 HB2 TRP 38 1HB TRP 38 6.510 -3.855 2.647 262 HB3 TRP 38 2HB TRP 38 4.821 -3.513 2.966 263 HD1 TRP 38 HD TRP 38 8.222 -1.738 2.758 264 HE1 TRP 38 1HE TRP 38 7.938 0.884 2.678 265 HE3 TRP 38 3HE TRP 38 3.233 -1.723 3.738 266 HZ2 TRP 38 2HZ TRP 38 5.708 2.631 3.026 267 HZ3 TRP 38 3HZ TRP 38 2.078 0.483 3.851 268 HH2 TRP 38 HH TRP 38 3.234 2.610 3.514 269 H GLN 39 H GLN 39 8.142 -4.572 3.474 270 HA GLN 39 HA GLN 39 9.846 -3.547 5.593 271 HB2 GLN 39 1HB GLN 39 9.511 -6.355 4.797 272 HB3 GLN 39 2HB GLN 39 11.178 -5.837 4.641 273 HG2 GLN 39 1HG GLN 39 10.861 -4.802 7.034 274 HG3 GLN 39 2HG GLN 39 9.433 -5.813 7.129 275 HE21 GLN 39 1HE2 GLN 39 12.893 -5.894 6.344 276 HE22 GLN 39 2HE2 GLN 39 13.227 -7.479 6.958 277 H GLU 40 H GLU 40 12.333 -3.904 4.645 278 HA GLU 40 HA GLU 40 12.286 -2.291 2.296 279 HB2 GLU 40 1HB GLU 40 14.138 -2.877 4.458 280 HB3 GLU 40 2HB GLU 40 14.961 -3.058 2.922 281 HG2 GLU 40 1HG GLU 40 14.363 -0.802 2.235 282 HG3 GLU 40 2HG GLU 40 13.253 -0.619 3.579 283 HA PRO 41 HA PRO 41 12.854 -5.636 -0.438 284 HB2 PRO 41 1HB PRO 41 13.315 -4.231 -2.736 285 HB3 PRO 41 2HB PRO 41 11.708 -4.549 -2.114 286 HG2 PRO 41 1HG PRO 41 13.253 -2.029 -2.054 287 HG3 PRO 41 2HG PRO 41 11.531 -2.266 -1.835 288 HD2 PRO 41 1HD PRO 41 13.468 -1.762 0.219 289 HD3 PRO 41 2HD PRO 41 11.766 -2.114 0.447 290 H GLY 42 H GLY 42 14.402 -6.904 -1.538 291 HA2 GLY 42 1HA GLY 42 17.065 -6.271 -0.625 292 HA3 GLY 42 2HA GLY 42 16.534 -7.703 -1.483 293 H GLU 43 H GLU 43 15.128 -5.592 -3.437 294 HA GLU 43 HA GLU 43 17.512 -5.364 -5.075 295 HB2 GLU 43 1HB GLU 43 14.568 -5.619 -5.632 296 HB3 GLU 43 2HB GLU 43 15.537 -4.749 -6.805 297 HG2 GLU 43 1HG GLU 43 16.048 -7.594 -5.814 298 HG3 GLU 43 2HG GLU 43 15.418 -7.151 -7.388 299 H LYS 44 H LYS 44 17.272 -3.533 -2.904 300 HA LYS 44 HA LYS 44 15.982 -1.200 -3.269 301 HB2 LYS 44 1HB LYS 44 18.819 -1.640 -2.294 302 HB3 LYS 44 2HB LYS 44 17.934 -0.140 -2.104 303 HG2 LYS 44 1HG LYS 44 16.065 -1.618 -1.007 304 HG3 LYS 44 2HG LYS 44 17.301 -2.854 -0.891 305 HD2 LYS 44 1HD LYS 44 18.740 -1.374 0.445 306 HD3 LYS 44 2HD LYS 44 17.644 -0.027 0.210 307 HE2 LYS 44 1HE LYS 44 16.469 -0.664 2.041 308 HE3 LYS 44 2HE LYS 44 16.064 -2.177 1.255 309 HZ1 LYS 44 1HZ LYS 44 17.596 -3.248 2.430 310 HZ2 LYS 44 2HZ LYS 44 18.728 -2.080 2.284 311 HZ3 LYS 44 3HZ LYS 44 17.575 -1.961 3.435 312 H ASN 45 H ASN 45 18.728 -2.469 -5.147 313 HA ASN 45 HA ASN 45 19.900 -1.608 -6.788 314 HB2 ASN 45 1HB ASN 45 17.001 -1.101 -7.475 315 HB3 ASN 45 2HB ASN 45 18.207 -0.424 -8.551 316 HD21 ASN 45 1HD2 ASN 45 16.438 -3.144 -7.682 317 HD22 ASN 45 2HD2 ASN 45 17.245 -4.350 -8.628 318 H GLY 46 H GLY 46 20.065 0.149 -4.596 319 HA2 GLY 46 1HA GLY 46 21.215 2.344 -5.089 320 HA3 GLY 46 2HA GLY 46 19.672 2.838 -5.757 321 H ILE 47 H ILE 47 19.651 4.569 -4.116 322 HA ILE 47 HA ILE 47 19.120 3.570 -1.413 323 HB ILE 47 HB ILE 47 20.144 6.165 -2.511 324 HG12 ILE 47 1HG1 ILE 47 21.832 4.552 -1.988 325 HG13 ILE 47 2HG1 ILE 47 21.870 5.798 -0.756 326 HG21 ILE 47 1HG2 ILE 47 18.585 5.740 0.007 327 HG22 ILE 47 2HG2 ILE 47 19.969 6.859 0.025 328 HG23 ILE 47 3HG2 ILE 47 18.619 7.132 -1.102 329 HD11 ILE 47 1HD1 ILE 47 21.964 3.840 0.536 330 HD12 ILE 47 2HD1 ILE 47 20.221 4.200 0.556 331 HD13 ILE 47 3HD1 ILE 47 20.860 2.955 -0.544 332 H LEU 48 H LEU 48 17.002 3.188 -1.045 333 HA LEU 48 HA LEU 48 14.938 4.100 -2.618 334 HB2 LEU 48 1HB LEU 48 14.816 3.378 0.312 335 HB3 LEU 48 2HB LEU 48 13.481 3.375 -0.823 336 HG LEU 48 HG LEU 48 15.913 1.578 -1.028 337 HD11 LEU 48 1HD1 LEU 48 14.649 -0.186 -0.098 338 HD12 LEU 48 2HD1 LEU 48 14.419 1.205 0.989 339 HD13 LEU 48 3HD1 LEU 48 13.138 0.754 -0.162 340 HD21 LEU 48 1HD2 LEU 48 13.781 2.215 -2.874 341 HD22 LEU 48 2HD2 LEU 48 15.233 1.212 -3.109 342 HD23 LEU 48 3HD2 LEU 48 13.750 0.489 -2.441 343 H THR 49 H THR 49 13.710 5.940 -2.741 344 HA THR 49 HA THR 49 14.572 8.136 -0.997 345 HB THR 49 HB THR 49 13.305 9.435 -2.899 346 HG1 THR 49 1HG THR 49 12.749 8.091 -4.623 347 HG21 THR 49 1HG2 THR 49 15.252 9.530 -4.236 348 HG22 THR 49 2HG2 THR 49 15.921 8.942 -2.694 349 HG23 THR 49 3HG2 THR 49 15.599 7.797 -4.019 350 H GLY 50 H GLY 50 12.004 5.879 -1.504 351 HA2 GLY 50 1HA GLY 50 10.563 6.576 0.714 352 HA3 GLY 50 2HA GLY 50 9.876 7.555 -0.567 353 H TYR 51 H TYR 51 7.996 6.003 0.243 354 HA TYR 51 HA TYR 51 7.975 3.749 -1.637 355 HB2 TYR 51 1HB TYR 51 7.014 3.943 1.286 356 HB3 TYR 51 2HB TYR 51 6.678 2.567 0.255 357 HD1 TYR 51 2HD TYR 51 8.779 1.357 -0.774 358 HD2 TYR 51 1HD TYR 51 8.917 3.930 2.641 359 HE1 TYR 51 2HE TYR 51 10.968 0.287 -0.048 360 HE2 TYR 51 1HE TYR 51 11.106 2.852 3.356 361 HH TYR 51 HH TYR 51 12.230 -0.037 1.963 362 H ARG 52 H ARG 52 6.283 3.890 -3.020 363 HA ARG 52 HA ARG 52 4.243 5.800 -2.379 364 HB2 ARG 52 1HB ARG 52 5.459 5.383 -4.703 365 HB3 ARG 52 2HB ARG 52 4.290 4.091 -4.891 366 HG2 ARG 52 1HG ARG 52 2.577 6.049 -4.142 367 HG3 ARG 52 2HG ARG 52 3.840 7.066 -4.808 368 HD2 ARG 52 1HD ARG 52 2.740 4.686 -6.360 369 HD3 ARG 52 2HD ARG 52 1.966 6.256 -6.427 370 HE ARG 52 HE ARG 52 4.791 6.552 -6.912 371 HH11 ARG 52 2HH2 ARG 52 1.844 5.399 -8.451 372 HH12 ARG 52 1HH2 ARG 52 2.416 5.696 -10.059 373 HH21 ARG 52 2HH1 ARG 52 5.546 6.944 -9.033 374 HH22 ARG 52 1HH1 ARG 52 4.535 6.581 -10.392 375 H ILE 53 H ILE 53 2.325 5.196 -1.421 376 HA ILE 53 HA ILE 53 1.597 2.361 -1.601 377 HB ILE 53 HB ILE 53 1.960 2.887 0.635 378 HG12 ILE 53 1HG1 ILE 53 -1.009 3.383 0.433 379 HG13 ILE 53 2HG1 ILE 53 -0.313 1.839 -0.016 380 HG21 ILE 53 1HG2 ILE 53 2.212 5.096 1.009 381 HG22 ILE 53 2HG2 ILE 53 0.902 5.551 -0.107 382 HG23 ILE 53 3HG2 ILE 53 0.515 4.982 1.535 383 HD11 ILE 53 1HD1 ILE 53 0.359 1.337 2.167 384 HD12 ILE 53 2HD1 ILE 53 0.487 3.051 2.631 385 HD13 ILE 53 3HD1 ILE 53 -1.114 2.286 2.482 386 H SER 54 H SER 54 -0.550 1.765 -2.151 387 HA SER 54 HA SER 54 -2.351 3.883 -2.844 388 HB2 SER 54 1HB SER 54 -2.284 2.069 -5.109 389 HB3 SER 54 2HB SER 54 -2.124 3.814 -5.091 390 HG SER 54 HG SER 54 -0.043 1.834 -4.794 391 H TRP 55 H TRP 55 -4.186 3.187 -1.809 392 HA TRP 55 HA TRP 55 -4.676 0.300 -1.736 393 HB2 TRP 55 1HB TRP 55 -6.121 0.743 0.137 394 HB3 TRP 55 2HB TRP 55 -4.528 1.416 0.423 395 HD1 TRP 55 HD TRP 55 -8.079 2.664 -0.592 396 HE1 TRP 55 1HE TRP 55 -8.448 5.156 0.192 397 HE3 TRP 55 3HE TRP 55 -3.349 3.374 1.136 398 HZ2 TRP 55 2HZ TRP 55 -6.758 7.102 1.419 399 HZ3 TRP 55 3HZ TRP 55 -2.792 5.599 2.111 400 HH2 TRP 55 HH TRP 55 -4.406 7.428 2.268 401 H GLU 56 H GLU 56 -6.722 -0.525 -2.449 402 HA GLU 56 HA GLU 56 -8.717 1.230 -3.375 403 HB2 GLU 56 1HB GLU 56 -8.587 0.827 -5.761 404 HB3 GLU 56 2HB GLU 56 -7.035 1.449 -5.235 405 HG2 GLU 56 1HG GLU 56 -5.999 -0.712 -5.341 406 HG3 GLU 56 2HG GLU 56 -7.540 -1.546 -5.384 407 H GLU 57 H GLU 57 -10.575 -0.051 -4.401 408 HA GLU 57 HA GLU 57 -11.164 -2.203 -2.829 409 HB2 GLU 57 1HB GLU 57 -12.303 -0.935 -5.266 410 HB3 GLU 57 2HB GLU 57 -12.770 -2.608 -5.037 411 HG2 GLU 57 1HG GLU 57 -12.886 -1.038 -2.531 412 HG3 GLU 57 2HG GLU 57 -13.937 -0.397 -3.779 413 H TYR 58 H TYR 58 -11.996 -4.418 -4.083 414 HA TYR 58 HA TYR 58 -9.676 -5.849 -4.591 415 HB2 TYR 58 1HB TYR 58 -11.759 -6.924 -3.898 416 HB3 TYR 58 2HB TYR 58 -12.673 -6.129 -5.164 417 HD1 TYR 58 1HD TYR 58 -9.694 -8.418 -4.950 418 HD2 TYR 58 2HD TYR 58 -13.404 -7.503 -6.875 419 HE1 TYR 58 1HE TYR 58 -9.442 -10.471 -6.429 420 HE2 TYR 58 2HE TYR 58 -13.139 -9.559 -8.347 421 HH TYR 58 HH TYR 58 -11.769 -11.906 -7.929 422 H ASN 59 H ASN 59 -12.273 -4.909 -6.965 423 HA ASN 59 HA ASN 59 -10.152 -4.889 -8.963 424 HB2 ASN 59 1HB ASN 59 -12.041 -6.821 -8.953 425 HB3 ASN 59 2HB ASN 59 -12.996 -5.578 -9.737 426 HD21 ASN 59 1HD2 ASN 59 -11.503 -8.185 -10.494 427 HD22 ASN 59 2HD2 ASN 59 -10.709 -7.805 -11.986 428 H ARG 60 H ARG 60 -10.423 -2.500 -7.972 429 HA ARG 60 HA ARG 60 -11.990 -1.088 -9.885 430 HB2 ARG 60 1HB ARG 60 -12.477 -0.177 -7.056 431 HB3 ARG 60 2HB ARG 60 -13.518 -0.032 -8.458 432 HG2 ARG 60 1HG ARG 60 -14.026 -2.461 -8.366 433 HG3 ARG 60 2HG ARG 60 -12.926 -2.660 -7.017 434 HD2 ARG 60 1HD ARG 60 -14.635 -2.175 -5.603 435 HD3 ARG 60 2HD ARG 60 -14.668 -0.545 -6.247 436 HE ARG 60 HE ARG 60 -16.572 -1.095 -7.500 437 HH11 ARG 60 2HH2 ARG 60 -15.028 -4.049 -6.373 438 HH12 ARG 60 1HH2 ARG 60 -16.321 -5.076 -6.897 439 HH21 ARG 60 2HH1 ARG 60 -18.278 -2.450 -8.191 440 HH22 ARG 60 1HH1 ARG 60 -18.182 -4.160 -7.938 441 H THR 61 H THR 61 -10.631 0.531 -10.588 442 HA THR 61 HA THR 61 -8.416 1.301 -8.868 443 HB THR 61 HB THR 61 -9.153 1.792 -11.798 444 HG1 THR 61 1HG THR 61 -8.403 -0.362 -11.018 445 HG21 THR 61 1HG2 THR 61 -6.646 2.448 -11.890 446 HG22 THR 61 2HG2 THR 61 -7.747 3.671 -11.210 447 HG23 THR 61 3HG2 THR 61 -6.751 2.670 -10.127 448 H ASN 62 H ASN 62 -11.538 2.501 -9.962 449 HA ASN 62 HA ASN 62 -11.244 5.150 -9.866 450 HB2 ASN 62 1HB ASN 62 -13.412 3.232 -9.334 451 HB3 ASN 62 2HB ASN 62 -13.607 4.672 -8.353 452 HD21 ASN 62 1HD2 ASN 62 -15.184 5.738 -9.326 453 HD22 ASN 62 2HD2 ASN 62 -15.201 6.271 -10.974 454 H THR 63 H THR 63 -11.379 2.811 -7.132 455 HA THR 63 HA THR 63 -11.185 4.979 -5.189 456 HB THR 63 HB THR 63 -11.886 3.330 -3.629 457 HG1 THR 63 1HG THR 63 -10.863 1.490 -5.678 458 HG21 THR 63 1HG2 THR 63 -13.437 3.505 -5.849 459 HG22 THR 63 2HG2 THR 63 -12.926 1.808 -6.015 460 HG23 THR 63 3HG2 THR 63 -13.791 2.338 -4.552 461 H ARG 64 H ARG 64 -8.996 4.710 -7.047 462 HA ARG 64 HA ARG 64 -6.982 3.431 -5.425 463 HB2 ARG 64 1HB ARG 64 -6.842 2.936 -7.802 464 HB3 ARG 64 2HB ARG 64 -6.967 4.630 -8.232 465 HG2 ARG 64 1HG ARG 64 -4.712 4.821 -8.150 466 HG3 ARG 64 2HG ARG 64 -4.736 4.409 -6.447 467 HD2 ARG 64 1HD ARG 64 -4.044 2.252 -6.827 468 HD3 ARG 64 2HD ARG 64 -5.088 2.055 -8.220 469 HE ARG 64 HE ARG 64 -3.206 3.767 -9.214 470 HH11 ARG 64 2HH2 ARG 64 -2.899 0.776 -7.384 471 HH12 ARG 64 1HH2 ARG 64 -1.375 0.352 -8.089 472 HH21 ARG 64 2HH1 ARG 64 -1.195 3.207 -10.144 473 HH22 ARG 64 1HH1 ARG 64 -0.399 1.743 -9.669 474 H VAL 65 H VAL 65 -5.660 4.611 -4.061 475 HA VAL 65 HA VAL 65 -5.698 7.527 -4.416 476 HB VAL 65 HB VAL 65 -6.739 6.570 -2.358 477 HG11 VAL 65 1HG1 VAL 65 -4.063 5.318 -2.152 478 HG12 VAL 65 2HG1 VAL 65 -4.699 6.020 -0.645 479 HG13 VAL 65 3HG1 VAL 65 -5.637 4.783 -1.516 480 HG21 VAL 65 1HG2 VAL 65 -5.930 8.869 -2.397 481 HG22 VAL 65 2HG2 VAL 65 -5.624 8.138 -0.803 482 HG23 VAL 65 3HG2 VAL 65 -4.291 8.324 -1.968 483 H THR 66 H THR 66 -3.676 8.686 -4.025 484 HA THR 66 HA THR 66 -1.317 6.955 -4.377 485 HB THR 66 HB THR 66 -1.906 9.663 -5.687 486 HG1 THR 66 1HG THR 66 -2.200 8.223 -7.542 487 HG21 THR 66 1HG2 THR 66 0.183 9.531 -6.662 488 HG22 THR 66 2HG2 THR 66 0.576 8.503 -5.263 489 HG23 THR 66 3HG2 THR 66 0.098 7.759 -6.808 490 H HIS 67 H HIS 67 -0.006 7.037 -2.675 491 HA HIS 67 HA HIS 67 0.223 9.633 -1.343 492 HB2 HIS 67 1HB HIS 67 -0.526 7.004 -0.220 493 HB3 HIS 67 2HB HIS 67 0.719 7.853 0.675 494 HD1 HIS 67 1HD HIS 67 -0.490 10.788 0.058 495 HD2 HIS 67 2HD HIS 67 -2.551 7.495 1.642 496 HE1 HIS 67 1HE HIS 67 -2.485 11.739 1.334 497 H TYR 68 H TYR 68 2.331 9.908 -0.175 498 HA TYR 68 HA TYR 68 4.422 8.188 -1.313 499 HB2 TYR 68 1HB TYR 68 4.194 11.251 -1.067 500 HB3 TYR 68 2HB TYR 68 5.698 10.451 -1.476 501 HD1 TYR 68 2HD TYR 68 5.412 8.683 -3.530 502 HD2 TYR 68 1HD TYR 68 2.968 12.123 -2.827 503 HE1 TYR 68 2HE TYR 68 4.764 8.734 -5.988 504 HE2 TYR 68 1HE TYR 68 2.328 12.163 -5.287 505 HH TYR 68 HH TYR 68 3.255 9.557 -7.432 506 H LEU 69 H LEU 69 5.860 7.447 0.180 507 HA LEU 69 HA LEU 69 5.937 8.891 2.738 508 HB2 LEU 69 1HB LEU 69 6.279 5.915 2.466 509 HB3 LEU 69 2HB LEU 69 6.034 6.860 3.922 510 HG LEU 69 HG LEU 69 3.918 6.692 1.774 511 HD11 LEU 69 1HD1 LEU 69 3.026 4.978 3.698 512 HD12 LEU 69 2HD1 LEU 69 3.812 4.488 2.178 513 HD13 LEU 69 3HD1 LEU 69 4.767 4.608 3.676 514 HD21 LEU 69 1HD2 LEU 69 3.548 8.475 3.314 515 HD22 LEU 69 2HD2 LEU 69 2.423 7.161 3.733 516 HD23 LEU 69 3HD2 LEU 69 3.887 7.425 4.710 517 HA PRO 70 HA PRO 70 10.220 8.949 2.227 518 HB2 PRO 70 1HB PRO 70 11.161 8.850 4.791 519 HB3 PRO 70 2HB PRO 70 10.521 10.309 4.061 520 HG2 PRO 70 1HG PRO 70 9.263 8.531 6.059 521 HG3 PRO 70 2HG PRO 70 8.845 10.180 5.640 522 HD2 PRO 70 1HD PRO 70 7.453 7.802 4.843 523 HD3 PRO 70 2HD PRO 70 7.106 9.442 4.331 524 H ASN 71 H ASN 71 12.434 7.903 2.926 525 HA ASN 71 HA ASN 71 11.950 5.132 2.381 526 HB2 ASN 71 1HB ASN 71 14.451 5.034 2.138 527 HB3 ASN 71 2HB ASN 71 13.747 6.298 1.147 528 HD21 ASN 71 1HD2 ASN 71 16.440 6.044 2.170 529 HD22 ASN 71 2HD2 ASN 71 16.781 7.448 3.125 530 H VAL 72 H VAL 72 11.199 6.289 5.043 531 HA VAL 72 HA VAL 72 13.016 4.697 6.715 532 HB VAL 72 HB VAL 72 12.621 6.318 8.514 533 HG11 VAL 72 1HG1 VAL 72 13.997 8.181 7.562 534 HG12 VAL 72 2HG1 VAL 72 14.646 6.557 7.230 535 HG13 VAL 72 3HG1 VAL 72 13.789 7.451 5.952 536 HG21 VAL 72 1HG2 VAL 72 11.746 8.629 7.712 537 HG22 VAL 72 2HG2 VAL 72 10.988 7.705 6.392 538 HG23 VAL 72 3HG2 VAL 72 10.570 7.345 8.085 539 H THR 73 H THR 73 9.732 5.807 5.888 540 HA THR 73 HA THR 73 8.589 4.091 7.949 541 HB THR 73 HB THR 73 7.557 6.211 6.016 542 HG1 THR 73 1HG THR 73 7.124 7.149 8.119 543 HG21 THR 73 1HG2 THR 73 5.826 4.377 6.171 544 HG22 THR 73 2HG2 THR 73 5.921 4.482 7.946 545 HG23 THR 73 3HG2 THR 73 5.313 5.864 7.003 546 H LEU 74 H LEU 74 7.354 2.258 7.578 547 HA LEU 74 HA LEU 74 7.265 1.354 4.796 548 HB2 LEU 74 1HB LEU 74 7.954 -0.569 6.983 549 HB3 LEU 74 2HB LEU 74 8.186 -0.718 5.253 550 HG LEU 74 HG LEU 74 9.706 1.440 6.640 551 HD11 LEU 74 1HD1 LEU 74 11.429 -0.048 7.439 552 HD12 LEU 74 2HD1 LEU 74 9.876 -0.489 8.187 553 HD13 LEU 74 3HD1 LEU 74 10.530 -1.468 6.852 554 HD21 LEU 74 1HD2 LEU 74 11.188 -0.300 4.866 555 HD22 LEU 74 2HD2 LEU 74 9.689 0.271 4.095 556 HD23 LEU 74 3HD2 LEU 74 10.860 1.445 4.743 557 H GLU 75 H GLU 75 5.508 2.450 7.246 558 HA GLU 75 HA GLU 75 3.362 0.611 6.621 559 HB2 GLU 75 1HB GLU 75 2.723 0.257 8.896 560 HB3 GLU 75 2HB GLU 75 4.449 -0.042 8.841 561 HG2 GLU 75 1HG GLU 75 4.573 2.583 9.419 562 HG3 GLU 75 2HG GLU 75 2.962 2.291 10.045 563 H TYR 76 H TYR 76 1.220 1.575 6.827 564 HA TYR 76 HA TYR 76 1.008 4.306 7.671 565 HB2 TYR 76 1HB TYR 76 1.953 4.609 5.402 566 HB3 TYR 76 2HB TYR 76 0.920 3.353 4.749 567 HD1 TYR 76 2HD TYR 76 -1.628 3.790 4.723 568 HD2 TYR 76 1HD TYR 76 1.282 6.866 5.337 569 HE1 TYR 76 2HE TYR 76 -3.338 5.551 4.060 570 HE2 TYR 76 1HE TYR 76 -0.438 8.616 4.672 571 HH TYR 76 HH TYR 76 -2.471 9.000 4.071 572 H ARG 77 H ARG 77 -1.100 4.796 8.238 573 HA ARG 77 HA ARG 77 -2.910 2.595 8.060 574 HB2 ARG 77 1HB ARG 77 -2.724 3.856 10.177 575 HB3 ARG 77 2HB ARG 77 -3.139 5.352 9.365 576 HG2 ARG 77 1HG ARG 77 -5.383 4.885 9.373 577 HG3 ARG 77 2HG ARG 77 -5.135 3.210 8.922 578 HD2 ARG 77 1HD ARG 77 -6.115 3.397 11.205 579 HD3 ARG 77 2HD ARG 77 -4.544 2.622 11.249 580 HE ARG 77 HE ARG 77 -4.414 5.529 11.612 581 HH11 ARG 77 2HH2 ARG 77 -4.812 2.431 13.232 582 HH12 ARG 77 1HH2 ARG 77 -4.289 3.025 14.772 583 HH21 ARG 77 2HH1 ARG 77 -3.724 6.313 13.644 584 HH22 ARG 77 1HH1 ARG 77 -3.666 5.248 15.009 585 H VAL 78 H VAL 78 -4.770 2.496 6.760 586 HA VAL 78 HA VAL 78 -5.096 4.737 4.901 587 HB VAL 78 HB VAL 78 -5.074 3.146 3.375 588 HG11 VAL 78 1HG1 VAL 78 -5.367 0.964 5.457 589 HG12 VAL 78 2HG1 VAL 78 -4.614 0.860 3.847 590 HG13 VAL 78 3HG1 VAL 78 -3.830 1.803 5.137 591 HG21 VAL 78 1HG2 VAL 78 -7.553 3.314 3.683 592 HG22 VAL 78 2HG2 VAL 78 -7.008 1.753 3.025 593 HG23 VAL 78 3HG2 VAL 78 -7.473 1.883 4.738 594 H THR 79 H THR 79 -7.263 5.495 4.401 595 HA THR 79 HA THR 79 -9.427 4.587 6.075 596 HB THR 79 HB THR 79 -9.709 6.722 7.249 597 HG1 THR 79 1HG THR 79 -8.919 8.200 5.698 598 HG21 THR 79 1HG2 THR 79 -7.643 6.894 8.570 599 HG22 THR 79 2HG2 THR 79 -7.952 5.171 8.246 600 HG23 THR 79 3HG2 THR 79 -6.722 6.047 7.304 601 H GLY 80 H GLY 80 -11.447 5.097 5.248 602 HA2 GLY 80 1HA GLY 80 -12.845 6.416 3.867 603 HA3 GLY 80 2HA GLY 80 -11.472 6.815 2.854 604 H LEU 81 H LEU 81 -11.911 3.501 4.066 605 HA LEU 81 HA LEU 81 -12.258 2.634 1.312 606 HB2 LEU 81 1HB LEU 81 -11.938 0.770 3.622 607 HB3 LEU 81 2HB LEU 81 -11.410 0.598 1.960 608 HG LEU 81 HG LEU 81 -10.166 2.640 3.802 609 HD11 LEU 81 1HD1 LEU 81 -8.431 0.425 3.600 610 HD12 LEU 81 2HD1 LEU 81 -9.252 1.051 5.050 611 HD13 LEU 81 3HD1 LEU 81 -10.023 -0.220 4.070 612 HD21 LEU 81 1HD2 LEU 81 -9.906 2.200 1.089 613 HD22 LEU 81 2HD2 LEU 81 -8.756 3.072 2.130 614 HD23 LEU 81 3HD2 LEU 81 -8.504 1.345 1.777 615 H THR 82 H THR 82 -13.503 0.058 2.341 616 HA THR 82 HA THR 82 -16.176 1.093 2.993 617 HB THR 82 HB THR 82 -15.619 -1.094 0.932 618 HG1 THR 82 1HG THR 82 -16.248 1.750 0.598 619 HG21 THR 82 1HG2 THR 82 -18.006 0.440 1.931 620 HG22 THR 82 2HG2 THR 82 -17.899 0.196 0.171 621 HG23 THR 82 3HG2 THR 82 -17.923 -1.209 1.264 622 H ALA 83 H ALA 83 -17.529 -0.314 4.187 623 HA ALA 83 HA ALA 83 -16.071 -1.955 5.980 624 HB1 ALA 83 1HB ALA 83 -18.923 -1.114 5.552 625 HB2 ALA 83 2HB ALA 83 -18.602 -2.520 6.595 626 HB3 ALA 83 3HB ALA 83 -17.887 -0.938 6.989 627 H LEU 84 H LEU 84 -16.011 -4.218 6.172 628 HA LEU 84 HA LEU 84 -15.693 -6.215 5.205 629 HB2 LEU 84 1HB LEU 84 -18.667 -5.873 4.797 630 HB3 LEU 84 2HB LEU 84 -17.803 -7.398 4.819 631 HG LEU 84 HG LEU 84 -18.339 -5.510 7.108 632 HD11 LEU 84 1HD1 LEU 84 -19.847 -7.519 6.251 633 HD12 LEU 84 2HD1 LEU 84 -18.709 -8.468 7.238 634 HD13 LEU 84 3HD1 LEU 84 -19.652 -7.155 7.983 635 HD21 LEU 84 1HD2 LEU 84 -16.927 -7.113 8.490 636 HD22 LEU 84 2HD2 LEU 84 -16.231 -7.667 6.948 637 HD23 LEU 84 3HD2 LEU 84 -16.052 -5.967 7.446 638 H THR 85 H THR 85 -14.511 -4.755 3.447 639 HA THR 85 HA THR 85 -15.562 -5.698 0.881 640 HB THR 85 HB THR 85 -15.064 -2.860 1.783 641 HG1 THR 85 1HG THR 85 -16.839 -2.811 0.034 642 HG21 THR 85 1HG2 THR 85 -14.656 -2.109 -0.495 643 HG22 THR 85 2HG2 THR 85 -13.413 -3.331 -0.135 644 HG23 THR 85 3HG2 THR 85 -14.825 -3.763 -1.129 645 H THR 86 H THR 86 -14.020 -6.332 -0.609 646 HA THR 86 HA THR 86 -11.420 -6.827 0.544 647 HB THR 86 HB THR 86 -12.629 -7.507 -2.189 648 HG1 THR 86 1HG THR 86 -13.519 -9.191 -1.015 649 HG21 THR 86 1HG2 THR 86 -10.432 -8.933 -0.613 650 HG22 THR 86 2HG2 THR 86 -10.951 -9.255 -2.285 651 HG23 THR 86 3HG2 THR 86 -10.072 -7.756 -1.899 652 H TYR 87 H TYR 87 -9.742 -5.487 0.453 653 HA TYR 87 HA TYR 87 -9.643 -3.658 -1.852 654 HB2 TYR 87 1HB TYR 87 -9.297 -3.387 1.155 655 HB3 TYR 87 2HB TYR 87 -8.238 -2.409 0.160 656 HD1 TYR 87 2HD TYR 87 -11.732 -2.992 1.172 657 HD2 TYR 87 1HD TYR 87 -9.097 -0.537 -1.138 658 HE1 TYR 87 2HE TYR 87 -13.565 -1.247 0.921 659 HE2 TYR 87 1HE TYR 87 -10.938 1.199 -1.381 660 HH TYR 87 HH TYR 87 -14.138 0.538 -0.706 661 H THR 88 H THR 88 -7.592 -3.273 -2.784 662 HA THR 88 HA THR 88 -5.494 -5.110 -1.829 663 HB THR 88 HB THR 88 -6.593 -4.399 -4.547 664 HG1 THR 88 1HG THR 88 -6.877 -6.455 -3.297 665 HG21 THR 88 1HG2 THR 88 -4.549 -5.028 -5.677 666 HG22 THR 88 2HG2 THR 88 -4.082 -3.754 -4.525 667 HG23 THR 88 3HG2 THR 88 -3.757 -5.462 -4.143 668 H ILE 89 H ILE 89 -4.022 -4.026 -0.675 669 HA ILE 89 HA ILE 89 -3.522 -1.251 -1.344 670 HB ILE 89 HB ILE 89 -2.201 -2.851 0.831 671 HG12 ILE 89 1HG1 ILE 89 -4.472 -3.342 1.233 672 HG13 ILE 89 2HG1 ILE 89 -4.077 -2.019 2.312 673 HG21 ILE 89 1HG2 ILE 89 -1.387 -0.899 1.526 674 HG22 ILE 89 2HG2 ILE 89 -1.906 -0.230 -0.040 675 HG23 ILE 89 3HG2 ILE 89 -2.969 -0.097 1.382 676 HD11 ILE 89 1HD1 ILE 89 -6.068 -2.113 0.197 677 HD12 ILE 89 2HD1 ILE 89 -5.805 -0.855 1.429 678 HD13 ILE 89 3HD1 ILE 89 -4.918 -0.790 -0.113 679 H GLU 90 H GLU 90 -2.015 -0.678 -2.806 680 HA GLU 90 HA GLU 90 0.037 -2.655 -3.377 681 HB2 GLU 90 1HB GLU 90 -0.737 -0.210 -5.024 682 HB3 GLU 90 2HB GLU 90 0.312 -1.519 -5.528 683 HG2 GLU 90 1HG GLU 90 -1.461 -2.768 -6.192 684 HG3 GLU 90 2HG GLU 90 -2.206 -2.637 -4.611 685 H VAL 91 H VAL 91 2.009 -2.335 -2.450 686 HA VAL 91 HA VAL 91 2.751 0.447 -1.860 687 HB VAL 91 HB VAL 91 3.236 -2.146 -0.414 688 HG11 VAL 91 1HG1 VAL 91 4.675 0.455 0.189 689 HG12 VAL 91 2HG1 VAL 91 4.897 -1.125 0.978 690 HG13 VAL 91 3HG1 VAL 91 5.404 -0.896 -0.713 691 HG21 VAL 91 1HG2 VAL 91 1.603 -1.365 0.888 692 HG22 VAL 91 2HG2 VAL 91 2.647 0.009 1.327 693 HG23 VAL 91 3HG2 VAL 91 1.529 0.146 -0.051 694 H ALA 92 H ALA 92 4.320 1.237 -3.155 695 HA ALA 92 HA ALA 92 6.161 -0.727 -4.340 696 HB1 ALA 92 1HB ALA 92 5.475 0.130 -6.302 697 HB2 ALA 92 2HB ALA 92 4.511 1.379 -5.477 698 HB3 ALA 92 3HB ALA 92 6.231 1.670 -5.827 699 H ALA 93 H ALA 93 8.378 0.255 -4.851 700 HA ALA 93 HA ALA 93 9.121 2.015 -2.617 701 HB1 ALA 93 1HB ALA 93 10.780 -0.063 -4.103 702 HB2 ALA 93 2HB ALA 93 11.309 0.909 -2.708 703 HB3 ALA 93 3HB ALA 93 10.018 -0.301 -2.512 704 H MET 94 H MET 94 10.087 3.955 -3.078 705 HA MET 94 HA MET 94 10.602 4.419 -5.910 706 HB2 MET 94 1HB MET 94 10.027 6.423 -3.656 707 HB3 MET 94 2HB MET 94 10.180 6.826 -5.355 708 HG2 MET 94 1HG MET 94 8.134 5.755 -5.931 709 HG3 MET 94 2HG MET 94 8.130 4.764 -4.485 710 HE1 MET 94 1HE MET 94 7.916 9.305 -3.869 711 HE2 MET 94 2HE MET 94 9.380 8.295 -3.945 712 HE3 MET 94 3HE MET 94 8.438 8.609 -5.422 713 H THR 95 H THR 95 12.603 5.234 -6.587 714 HA THR 95 HA THR 95 14.581 5.642 -4.440 715 HB THR 95 HB THR 95 16.146 4.736 -6.390 716 HG1 THR 95 1HG THR 95 14.935 3.709 -7.985 717 HG21 THR 95 1HG2 THR 95 14.256 3.137 -4.636 718 HG22 THR 95 2HG2 THR 95 15.248 2.286 -5.845 719 HG23 THR 95 3HG2 THR 95 16.032 3.239 -4.561 720 H SER 96 H SER 96 16.693 6.543 -6.033 721 HA SER 96 HA SER 96 15.797 9.205 -6.407 722 HB2 SER 96 1HB SER 96 18.499 7.870 -6.875 723 HB3 SER 96 2HB SER 96 18.228 9.593 -7.039 724 HG SER 96 HG SER 96 17.918 9.814 -4.856 725 H LYS 97 H LYS 97 15.400 6.531 -8.293 726 HA LYS 97 HA LYS 97 15.908 7.989 -10.790 727 HB2 LYS 97 1HB LYS 97 16.822 6.125 -11.577 728 HB3 LYS 97 2HB LYS 97 16.652 5.394 -9.994 729 HG2 LYS 97 1HG LYS 97 15.493 3.905 -11.442 730 HG3 LYS 97 2HG LYS 97 14.217 4.827 -10.672 731 HD2 LYS 97 1HD LYS 97 14.878 6.388 -12.913 732 HD3 LYS 97 2HD LYS 97 15.014 4.746 -13.512 733 HE2 LYS 97 1HE LYS 97 12.623 5.025 -11.845 734 HE3 LYS 97 2HE LYS 97 12.625 6.234 -13.113 735 HZ1 LYS 97 1HZ LYS 97 12.260 3.445 -13.326 736 HZ2 LYS 97 2HZ LYS 97 11.946 4.613 -14.423 737 HZ3 LYS 97 3HZ LYS 97 13.438 3.954 -14.337 738 H GLY 98 H GLY 98 13.541 6.087 -8.866 739 HA2 GLY 98 1HA GLY 98 11.319 7.521 -9.509 740 HA3 GLY 98 2HA GLY 98 11.455 6.371 -10.824 741 H GLN 99 H GLN 99 9.560 5.199 -10.212 742 HA GLN 99 HA GLN 99 9.765 3.883 -7.625 743 HB2 GLN 99 1HB GLN 99 7.689 5.156 -7.975 744 HB3 GLN 99 2HB GLN 99 7.374 4.300 -9.471 745 HG2 GLN 99 1HG GLN 99 7.604 2.148 -7.849 746 HG3 GLN 99 2HG GLN 99 7.134 3.321 -6.634 747 HE21 GLN 99 1HE2 GLN 99 5.150 4.394 -6.783 748 HE22 GLN 99 2HE2 GLN 99 3.827 3.779 -7.716 749 H GLY 100 H GLY 100 9.708 1.599 -7.460 750 HA2 GLY 100 1HA GLY 100 10.202 0.204 -10.009 751 HA3 GLY 100 2HA GLY 100 10.757 -0.294 -8.423 752 H GLN 101 H GLN 101 9.797 -2.409 -8.687 753 HA GLN 101 HA GLN 101 7.289 -2.962 -9.469 754 HB2 GLN 101 1HB GLN 101 9.377 -4.376 -8.333 755 HB3 GLN 101 2HB GLN 101 8.151 -4.516 -7.088 756 HG2 GLN 101 1HG GLN 101 6.868 -5.921 -8.349 757 HG3 GLN 101 2HG GLN 101 7.025 -4.923 -9.781 758 HE21 GLN 101 1HE2 GLN 101 7.491 -7.893 -8.757 759 HE22 GLN 101 2HE2 GLN 101 8.896 -8.393 -9.639 760 H VAL 102 H VAL 102 5.505 -3.952 -7.830 761 HA VAL 102 HA VAL 102 5.194 -2.194 -5.532 762 HB VAL 102 HB VAL 102 4.099 -1.403 -7.844 763 HG11 VAL 102 1HG1 VAL 102 1.913 -2.139 -8.218 764 HG12 VAL 102 2HG1 VAL 102 2.788 -3.642 -7.839 765 HG13 VAL 102 3HG1 VAL 102 1.774 -2.866 -6.599 766 HG21 VAL 102 1HG2 VAL 102 3.851 -0.761 -5.132 767 HG22 VAL 102 2HG2 VAL 102 3.299 0.209 -6.518 768 HG23 VAL 102 3HG2 VAL 102 2.177 -0.916 -5.715 769 H SER 103 H SER 103 4.289 -3.257 -3.806 770 HA SER 103 HA SER 103 3.576 -6.012 -4.336 771 HB2 SER 103 1HB SER 103 4.685 -4.494 -2.022 772 HB3 SER 103 2HB SER 103 3.554 -5.763 -1.596 773 HG SER 103 HG SER 103 4.871 -7.318 -2.534 774 H ALA 104 H ALA 104 1.408 -6.157 -4.893 775 HA ALA 104 HA ALA 104 -0.478 -4.556 -3.326 776 HB1 ALA 104 1HB ALA 104 -1.783 -4.471 -5.202 777 HB2 ALA 104 2HB ALA 104 -0.235 -4.797 -6.018 778 HB3 ALA 104 3HB ALA 104 -1.368 -6.131 -5.694 779 H SER 105 H SER 105 -1.424 -5.554 -1.626 780 HA SER 105 HA SER 105 -1.794 -8.436 -1.889 781 HB2 SER 105 1HB SER 105 -0.505 -6.862 0.198 782 HB3 SER 105 2HB SER 105 -1.862 -7.742 0.871 783 HG SER 105 HG SER 105 -0.866 -9.638 0.537 784 H THR 106 H THR 106 -3.884 -9.215 -1.555 785 HA THR 106 HA THR 106 -5.971 -7.254 -1.352 786 HB THR 106 HB THR 106 -6.377 -10.256 -1.250 787 HG1 THR 106 1HG THR 106 -5.607 -10.340 -3.396 788 HG21 THR 106 1HG2 THR 106 -8.452 -9.576 -1.925 789 HG22 THR 106 2HG2 THR 106 -7.901 -7.886 -2.020 790 HG23 THR 106 3HG2 THR 106 -7.708 -8.965 -3.422 791 H ILE 107 H ILE 107 -7.346 -6.801 0.319 792 HA ILE 107 HA ILE 107 -7.208 -8.427 2.699 793 HB ILE 107 HB ILE 107 -5.338 -7.068 3.155 794 HG12 ILE 107 1HG1 ILE 107 -6.210 -5.604 5.056 795 HG13 ILE 107 2HG1 ILE 107 -7.824 -6.088 4.573 796 HG21 ILE 107 1HG2 ILE 107 -5.152 -5.248 1.847 797 HG22 ILE 107 2HG2 ILE 107 -6.909 -4.967 1.796 798 HG23 ILE 107 3HG2 ILE 107 -5.961 -4.427 3.203 799 HD11 ILE 107 1HD1 ILE 107 -5.695 -8.195 5.039 800 HD12 ILE 107 2HD1 ILE 107 -6.584 -7.489 6.410 801 HD13 ILE 107 3HD1 ILE 107 -7.466 -8.357 5.130 802 H SER 108 H SER 108 -9.188 -8.502 3.672 803 HA SER 108 HA SER 108 -11.173 -6.738 2.514 804 HB2 SER 108 1HB SER 108 -11.968 -8.923 2.314 805 HB3 SER 108 2HB SER 108 -11.222 -9.452 3.808 806 HG SER 108 HG SER 108 -13.692 -9.084 3.681 807 H SER 109 H SER 109 -11.845 -4.973 3.675 808 HA SER 109 HA SER 109 -10.877 -4.106 5.951 809 HB2 SER 109 1HB SER 109 -13.071 -2.890 6.314 810 HB3 SER 109 2HB SER 109 -12.420 -2.750 4.693 811 HG SER 109 HG SER 109 -14.687 -3.228 4.630 812 H GLY 110 H GLY 110 -11.496 -4.118 8.247 813 HA2 GLY 110 1HA GLY 110 -12.019 -6.684 9.263 814 HA3 GLY 110 2HA GLY 110 -11.993 -5.181 10.164 815 H VAL 111 H VAL 111 -13.956 -3.960 10.483 816 HA VAL 111 HA VAL 111 -16.385 -4.603 9.292 817 HB VAL 111 HB VAL 111 -16.196 -6.739 10.389 818 HG11 VAL 111 1HG1 VAL 111 -16.063 -6.951 12.839 819 HG12 VAL 111 2HG1 VAL 111 -14.626 -6.141 12.170 820 HG13 VAL 111 3HG1 VAL 111 -15.890 -5.185 12.981 821 HG21 VAL 111 1HG2 VAL 111 -18.435 -5.990 10.255 822 HG22 VAL 111 2HG2 VAL 111 -18.237 -6.586 11.921 823 HG23 VAL 111 3HG2 VAL 111 -18.218 -4.837 11.593 824 HA PRO 112 HA PRO 112 -17.060 -0.855 11.349 825 HB2 PRO 112 1HB PRO 112 -19.698 -0.459 10.755 826 HB3 PRO 112 2HB PRO 112 -18.398 -0.085 9.640 827 HG2 PRO 112 1HG PRO 112 -20.288 -2.358 9.588 828 HG3 PRO 112 2HG PRO 112 -19.285 -1.734 8.294 829 HD2 PRO 112 1HD PRO 112 -18.808 -4.097 9.849 830 HD3 PRO 112 2HD PRO 112 -17.748 -3.409 8.634 831 HA PRO 113 HA PRO 113 -18.492 -2.068 15.193 832 HB2 PRO 113 1HB PRO 113 -17.673 0.110 16.626 833 HB3 PRO 113 2HB PRO 113 -16.630 -1.253 16.274 834 HG2 PRO 113 1HG PRO 113 -16.634 1.440 15.055 835 HG3 PRO 113 2HG PRO 113 -15.368 0.229 15.036 836 HD2 PRO 113 1HD PRO 113 -17.153 0.882 12.887 837 HD3 PRO 113 2HD PRO 113 -15.965 -0.407 12.908 838 H SER 114 H SER 114 -19.488 0.598 13.380 839 HA SER 114 HA SER 114 -21.451 1.407 15.274 840 HB2 SER 114 1HB SER 114 -20.467 2.292 12.628 841 HB3 SER 114 2HB SER 114 -22.198 2.493 12.817 842 HG SER 114 HG SER 114 -20.986 4.363 13.554 843 H GLY 115 H GLY 115 -22.998 -0.172 15.711 844 HA2 GLY 115 1HA GLY 115 -25.143 -0.935 15.044 845 HA3 GLY 115 2HA GLY 115 -24.567 -1.111 13.399 846 HA PRO 116 HA PRO 116 -23.080 -4.758 16.088 847 HB2 PRO 116 1HB PRO 116 -24.687 -5.414 18.199 848 HB3 PRO 116 2HB PRO 116 -23.215 -4.478 18.369 849 HG2 PRO 116 1HG PRO 116 -26.021 -3.554 18.470 850 HG3 PRO 116 2HG PRO 116 -24.578 -2.745 19.048 851 HD2 PRO 116 1HD PRO 116 -26.032 -2.153 16.648 852 HD3 PRO 116 2HD PRO 116 -24.525 -1.424 17.168 853 H SER 117 H SER 117 -23.366 -6.777 15.294 854 HA SER 117 HA SER 117 -26.020 -7.731 15.068 855 HB2 SER 117 1HB SER 117 -24.677 -6.482 12.714 856 HB3 SER 117 2HB SER 117 -25.408 -8.046 12.410 857 HG SER 117 HG SER 117 -26.775 -5.803 13.635 858 H SER 118 H SER 118 -26.011 -9.997 14.041 859 HA SER 118 HA SER 118 -23.450 -11.171 13.672 860 HB2 SER 118 1HB SER 118 -24.745 -11.287 16.296 861 HB3 SER 118 2HB SER 118 -24.537 -12.896 15.633 862 HG SER 118 HG SER 118 -22.299 -12.571 15.464 863 H GLY 119 H GLY 119 -26.864 -11.992 14.653 864 HA2 GLY 119 1HA GLY 119 -27.666 -12.962 12.171 865 HA3 GLY 119 2HA GLY 119 -27.012 -14.323 13.059 Start of MODEL 13 1 H1 GLY 1 H GLY 1 23.689 -16.930 -12.865 2 HA2 GLY 1 1HA GLY 1 21.889 -16.322 -15.088 3 HA3 GLY 1 2HA GLY 1 21.776 -17.655 -13.956 4 H SER 2 H SER 2 19.544 -16.007 -14.620 5 HA SER 2 HA SER 2 19.271 -14.391 -12.214 6 HB2 SER 2 1HB SER 2 17.308 -13.364 -13.436 7 HB3 SER 2 2HB SER 2 18.861 -13.084 -14.198 8 HG SER 2 HG SER 2 18.308 -14.310 -15.899 9 H SER 3 H SER 3 17.335 -16.568 -14.406 10 HA SER 3 HA SER 3 15.272 -16.977 -12.659 11 HB2 SER 3 1HB SER 3 16.449 -18.683 -14.880 12 HB3 SER 3 2HB SER 3 15.042 -19.217 -13.982 13 HG SER 3 HG SER 3 14.853 -17.807 -16.085 14 H GLY 4 H GLY 4 18.110 -19.175 -13.304 15 HA2 GLY 4 1HA GLY 4 18.877 -19.697 -10.750 16 HA3 GLY 4 2HA GLY 4 17.523 -20.784 -10.991 17 H SER 5 H SER 5 17.774 -22.658 -12.213 18 HA SER 5 HA SER 5 20.149 -23.790 -12.514 19 HB2 SER 5 1HB SER 5 17.562 -24.453 -13.195 20 HB3 SER 5 2HB SER 5 18.309 -24.383 -14.779 21 HG SER 5 HG SER 5 20.074 -25.716 -13.343 22 H SER 6 H SER 6 21.591 -24.242 -14.394 23 HA SER 6 HA SER 6 22.347 -21.905 -15.653 24 HB2 SER 6 1HB SER 6 23.869 -23.810 -15.220 25 HB3 SER 6 2HB SER 6 22.989 -24.801 -16.366 26 HG SER 6 HG SER 6 23.584 -23.237 -18.048 27 H GLY 7 H GLY 7 21.913 -21.020 -17.697 28 HA2 GLY 7 1HA GLY 7 20.544 -22.572 -19.712 29 HA3 GLY 7 2HA GLY 7 19.542 -21.355 -18.947 30 HA PRO 8 HA PRO 8 23.063 -19.275 -21.397 31 HB2 PRO 8 1HB PRO 8 24.100 -20.703 -23.484 32 HB3 PRO 8 2HB PRO 8 24.881 -20.589 -21.919 33 HG2 PRO 8 1HG PRO 8 23.384 -22.857 -23.083 34 HG3 PRO 8 2HG PRO 8 24.511 -22.859 -21.741 35 HD2 PRO 8 1HD PRO 8 21.650 -22.987 -21.579 36 HD3 PRO 8 2HD PRO 8 22.771 -22.872 -20.238 37 H GLN 9 H GLN 9 20.518 -18.855 -21.596 38 HA GLN 9 HA GLN 9 20.295 -18.295 -24.416 39 HB2 GLN 9 1HB GLN 9 18.767 -20.374 -23.077 40 HB3 GLN 9 2HB GLN 9 17.681 -19.111 -23.620 41 HG2 GLN 9 1HG GLN 9 17.776 -20.261 -25.609 42 HG3 GLN 9 2HG GLN 9 19.230 -19.311 -25.848 43 HE21 GLN 9 1HE2 GLN 9 18.081 -22.322 -24.348 44 HE22 GLN 9 2HE2 GLN 9 19.460 -23.300 -24.723 45 H LEU 10 H LEU 10 20.460 -16.069 -24.049 46 HA LEU 10 HA LEU 10 19.817 -14.034 -23.486 47 HB2 LEU 10 1HB LEU 10 17.158 -15.406 -23.101 48 HB3 LEU 10 2HB LEU 10 17.376 -13.671 -22.987 49 HG LEU 10 HG LEU 10 18.459 -14.005 -25.401 50 HD11 LEU 10 1HD1 LEU 10 18.007 -16.553 -25.098 51 HD12 LEU 10 2HD1 LEU 10 16.338 -16.126 -25.550 52 HD13 LEU 10 3HD1 LEU 10 17.680 -15.775 -26.665 53 HD21 LEU 10 1HD2 LEU 10 15.787 -13.946 -26.087 54 HD22 LEU 10 2HD2 LEU 10 15.785 -13.371 -24.402 55 HD23 LEU 10 3HD2 LEU 10 16.785 -12.547 -25.623 56 H VAL 11 H VAL 11 20.784 -13.156 -21.743 57 HA VAL 11 HA VAL 11 19.586 -13.286 -19.208 58 HB VAL 11 HB VAL 11 20.516 -15.578 -19.302 59 HG11 VAL 11 1HG1 VAL 11 22.527 -14.863 -20.718 60 HG12 VAL 11 2HG1 VAL 11 23.268 -14.326 -19.191 61 HG13 VAL 11 3HG1 VAL 11 22.830 -16.037 -19.415 62 HG21 VAL 11 1HG2 VAL 11 21.285 -15.586 -17.090 63 HG22 VAL 11 2HG2 VAL 11 22.079 -14.001 -17.257 64 HG23 VAL 11 3HG2 VAL 11 20.303 -14.104 -17.185 65 H ARG 12 H ARG 12 19.999 -11.289 -18.427 66 HA ARG 12 HA ARG 12 22.583 -10.322 -18.209 67 HB2 ARG 12 1HB ARG 12 22.213 -9.988 -20.722 68 HB3 ARG 12 2HB ARG 12 20.926 -8.866 -20.329 69 HG2 ARG 12 1HG ARG 12 22.881 -7.802 -18.770 70 HG3 ARG 12 2HG ARG 12 23.896 -8.550 -19.988 71 HD2 ARG 12 1HD ARG 12 21.808 -7.281 -21.446 72 HD3 ARG 12 2HD ARG 12 22.250 -6.138 -20.193 73 HE ARG 12 HE ARG 12 24.557 -7.329 -21.564 74 HH11 ARG 12 2HH2 ARG 12 22.215 -4.703 -21.579 75 HH12 ARG 12 1HH2 ARG 12 23.209 -3.651 -22.529 76 HH21 ARG 12 2HH1 ARG 12 25.869 -5.941 -22.818 77 HH22 ARG 12 1HH1 ARG 12 25.302 -4.360 -23.239 78 H THR 13 H THR 13 22.605 -8.517 -16.767 79 HA THR 13 HA THR 13 20.310 -8.100 -15.242 80 HB THR 13 HB THR 13 22.774 -7.782 -14.608 81 HG1 THR 13 1HG THR 13 22.093 -5.758 -13.385 82 HG21 THR 13 1HG2 THR 13 23.004 -5.012 -15.038 83 HG22 THR 13 2HG2 THR 13 23.957 -6.269 -15.863 84 HG23 THR 13 3HG2 THR 13 22.475 -5.637 -16.618 85 H HIS 14 H HIS 14 19.445 -5.771 -14.781 86 HA HIS 14 HA HIS 14 19.357 -3.863 -16.733 87 HB2 HIS 14 1HB HIS 14 18.006 -6.161 -17.633 88 HB3 HIS 14 2HB HIS 14 16.742 -5.047 -17.152 89 HD1 HIS 14 1HD HIS 14 18.245 -5.969 -20.109 90 HD2 HIS 14 2HD HIS 14 17.791 -2.223 -18.278 91 HE1 HIS 14 1HE HIS 14 18.466 -4.234 -21.967 92 H GLU 15 H GLU 15 17.018 -2.609 -16.510 93 HA GLU 15 HA GLU 15 15.682 -1.517 -15.191 94 HB2 GLU 15 1HB GLU 15 15.773 -4.170 -13.816 95 HB3 GLU 15 2HB GLU 15 15.166 -2.837 -12.855 96 HG2 GLU 15 1HG GLU 15 14.006 -2.675 -15.511 97 HG3 GLU 15 2HG GLU 15 13.790 -4.304 -14.901 98 H ASP 16 H ASP 16 15.639 -0.132 -13.212 99 HA ASP 16 HA ASP 16 18.266 -0.103 -11.946 100 HB2 ASP 16 1HB ASP 16 17.517 1.800 -13.662 101 HB3 ASP 16 2HB ASP 16 16.596 2.398 -12.296 102 H VAL 17 H VAL 17 14.863 1.206 -11.737 103 HA VAL 17 HA VAL 17 14.737 1.874 -9.131 104 HB VAL 17 HB VAL 17 12.297 0.971 -9.358 105 HG11 VAL 17 1HG1 VAL 17 11.827 2.910 -11.002 106 HG12 VAL 17 2HG1 VAL 17 12.622 3.289 -9.455 107 HG13 VAL 17 3HG1 VAL 17 13.585 3.190 -10.949 108 HG21 VAL 17 1HG2 VAL 17 13.107 -0.509 -11.349 109 HG22 VAL 17 2HG2 VAL 17 11.535 0.318 -11.455 110 HG23 VAL 17 3HG2 VAL 17 12.952 0.990 -12.297 111 HA PRO 18 HA PRO 18 14.977 -1.714 -6.735 112 HB2 PRO 18 1HB PRO 18 13.189 -1.298 -4.711 113 HB3 PRO 18 2HB PRO 18 14.774 -0.551 -4.758 114 HG2 PRO 18 1HG PRO 18 12.135 0.664 -5.305 115 HG3 PRO 18 2HG PRO 18 13.653 1.457 -4.933 116 HD2 PRO 18 1HD PRO 18 12.422 1.232 -7.514 117 HD3 PRO 18 2HD PRO 18 13.993 1.922 -7.158 118 H GLY 19 H GLY 19 13.661 -3.526 -5.485 119 HA2 GLY 19 1HA GLY 19 11.832 -4.515 -7.552 120 HA3 GLY 19 2HA GLY 19 12.624 -5.450 -6.299 121 HA PRO 20 HA PRO 20 8.418 -4.732 -4.813 122 HB2 PRO 20 1HB PRO 20 7.830 -7.321 -4.167 123 HB3 PRO 20 2HB PRO 20 7.423 -6.603 -5.713 124 HG2 PRO 20 1HG PRO 20 9.579 -8.522 -5.070 125 HG3 PRO 20 2HG PRO 20 8.891 -8.126 -6.633 126 HD2 PRO 20 1HD PRO 20 11.410 -7.233 -5.590 127 HD3 PRO 20 2HD PRO 20 10.669 -6.746 -7.102 128 H VAL 21 H VAL 21 8.170 -3.809 -2.886 129 HA VAL 21 HA VAL 21 10.058 -4.060 -0.925 130 HB VAL 21 HB VAL 21 8.290 -3.144 0.572 131 HG11 VAL 21 1HG1 VAL 21 8.467 -1.828 -2.160 132 HG12 VAL 21 2HG1 VAL 21 8.047 -1.029 -0.626 133 HG13 VAL 21 3HG1 VAL 21 9.681 -1.695 -0.864 134 HG21 VAL 21 1HG2 VAL 21 6.135 -3.519 0.146 135 HG22 VAL 21 2HG2 VAL 21 6.272 -2.564 -1.350 136 HG23 VAL 21 3HG2 VAL 21 6.557 -4.321 -1.386 137 H GLY 22 H GLY 22 9.218 -4.813 1.485 138 HA2 GLY 22 1HA GLY 22 9.455 -7.574 1.522 139 HA3 GLY 22 2HA GLY 22 8.879 -6.573 2.840 140 H HIS 23 H HIS 23 7.430 -8.423 3.355 141 HA HIS 23 HA HIS 23 5.353 -8.971 1.446 142 HB2 HIS 23 1HB HIS 23 4.929 -10.821 2.670 143 HB3 HIS 23 2HB HIS 23 6.558 -10.527 3.246 144 HD1 HIS 23 1HD HIS 23 3.498 -11.515 4.585 145 HD2 HIS 23 2HD HIS 23 6.215 -8.509 5.671 146 HE1 HIS 23 1HE HIS 23 3.027 -10.976 7.034 147 H LEU 24 H LEU 24 3.241 -8.221 1.495 148 HA LEU 24 HA LEU 24 2.785 -5.813 2.874 149 HB2 LEU 24 1HB LEU 24 1.411 -7.531 0.946 150 HB3 LEU 24 2HB LEU 24 0.316 -6.726 2.053 151 HG LEU 24 HG LEU 24 0.878 -5.584 -0.182 152 HD11 LEU 24 1HD1 LEU 24 -0.280 -4.053 0.947 153 HD12 LEU 24 2HD1 LEU 24 0.488 -4.489 2.493 154 HD13 LEU 24 3HD1 LEU 24 1.290 -3.342 1.393 155 HD21 LEU 24 1HD2 LEU 24 3.260 -4.428 1.215 156 HD22 LEU 24 2HD2 LEU 24 3.426 -5.973 0.348 157 HD23 LEU 24 3HD2 LEU 24 2.880 -4.519 -0.522 158 H SER 25 H SER 25 1.671 -5.338 4.758 159 HA SER 25 HA SER 25 0.534 -7.618 6.149 160 HB2 SER 25 1HB SER 25 2.358 -5.568 7.480 161 HB3 SER 25 2HB SER 25 1.602 -6.943 8.260 162 HG SER 25 HG SER 25 3.926 -6.827 6.739 163 H PHE 26 H PHE 26 -1.291 -7.088 7.462 164 HA PHE 26 HA PHE 26 -2.021 -4.252 7.483 165 HB2 PHE 26 1HB PHE 26 -3.796 -6.698 6.899 166 HB3 PHE 26 2HB PHE 26 -4.359 -5.039 6.930 167 HD1 PHE 26 2HD PHE 26 -2.230 -3.660 5.417 168 HD2 PHE 26 1HD PHE 26 -4.114 -7.395 4.706 169 HE1 PHE 26 2HE PHE 26 -1.730 -3.446 2.967 170 HE2 PHE 26 1HE PHE 26 -3.615 -7.181 2.256 171 HZ PHE 26 HZ PHE 26 -2.428 -5.209 1.415 172 H SER 27 H SER 27 -2.572 -3.538 9.492 173 HA SER 27 HA SER 27 -3.568 -5.547 11.344 174 HB2 SER 27 1HB SER 27 -2.176 -4.669 13.143 175 HB3 SER 27 2HB SER 27 -1.147 -5.128 11.801 176 HG SER 27 HG SER 27 -1.182 -2.778 13.011 177 H GLU 28 H GLU 28 -4.360 -4.208 13.480 178 HA GLU 28 HA GLU 28 -6.126 -3.049 14.110 179 HB2 GLU 28 1HB GLU 28 -4.299 -0.892 12.976 180 HB3 GLU 28 2HB GLU 28 -5.709 -0.521 13.948 181 HG2 GLU 28 1HG GLU 28 -4.077 -2.609 15.214 182 HG3 GLU 28 2HG GLU 28 -3.123 -1.174 14.893 183 H ILE 29 H ILE 29 -7.014 -4.277 11.902 184 HA ILE 29 HA ILE 29 -7.926 -2.328 9.975 185 HB ILE 29 HB ILE 29 -8.520 -5.281 10.171 186 HG12 ILE 29 1HG1 ILE 29 -6.131 -3.801 9.151 187 HG13 ILE 29 2HG1 ILE 29 -6.227 -5.337 9.988 188 HG21 ILE 29 1HG2 ILE 29 -9.551 -5.147 8.174 189 HG22 ILE 29 2HG2 ILE 29 -9.799 -3.449 8.645 190 HG23 ILE 29 3HG2 ILE 29 -8.453 -3.885 7.564 191 HD11 ILE 29 1HD1 ILE 29 -7.570 -6.049 7.758 192 HD12 ILE 29 2HD1 ILE 29 -6.587 -4.734 7.069 193 HD13 ILE 29 3HD1 ILE 29 -5.794 -6.121 7.853 194 H LEU 30 H LEU 30 -9.938 -1.411 9.881 195 HA LEU 30 HA LEU 30 -11.785 -2.241 12.008 196 HB2 LEU 30 1HB LEU 30 -11.318 0.450 10.726 197 HB3 LEU 30 2HB LEU 30 -12.685 0.093 11.762 198 HG LEU 30 HG LEU 30 -11.074 1.206 13.095 199 HD11 LEU 30 1HD1 LEU 30 -10.854 -0.244 14.898 200 HD12 LEU 30 2HD1 LEU 30 -12.201 -0.949 13.973 201 HD13 LEU 30 3HD1 LEU 30 -10.574 -1.661 13.859 202 HD21 LEU 30 1HD2 LEU 30 -8.813 0.954 13.056 203 HD22 LEU 30 2HD2 LEU 30 -8.894 -0.783 12.674 204 HD23 LEU 30 3HD2 LEU 30 -9.183 0.423 11.398 205 H ASP 31 H ASP 31 -13.374 -0.074 10.065 206 HA ASP 31 HA ASP 31 -14.490 -2.273 8.516 207 HB2 ASP 31 1HB ASP 31 -16.516 -0.705 8.347 208 HB3 ASP 31 2HB ASP 31 -16.192 -1.376 9.933 209 H THR 32 H THR 32 -13.188 1.057 8.541 210 HA THR 32 HA THR 32 -12.934 0.940 5.635 211 HB THR 32 HB THR 32 -13.946 3.151 5.371 212 HG1 THR 32 1HG THR 32 -13.120 3.878 7.512 213 HG21 THR 32 1HG2 THR 32 -15.860 2.022 7.407 214 HG22 THR 32 2HG2 THR 32 -16.191 2.643 5.772 215 HG23 THR 32 3HG2 THR 32 -15.505 1.014 5.983 216 H SER 33 H SER 33 -11.238 0.703 8.200 217 HA SER 33 HA SER 33 -9.191 2.435 7.167 218 HB2 SER 33 1HB SER 33 -8.738 2.923 9.801 219 HB3 SER 33 2HB SER 33 -9.655 4.003 8.769 220 HG SER 33 HG SER 33 -10.502 2.723 10.981 221 H LEU 34 H LEU 34 -7.173 1.432 7.298 222 HA LEU 34 HA LEU 34 -6.738 -0.611 9.279 223 HB2 LEU 34 1HB LEU 34 -6.262 -2.384 7.718 224 HB3 LEU 34 2HB LEU 34 -7.932 -1.870 7.593 225 HG LEU 34 HG LEU 34 -7.185 -0.452 5.586 226 HD11 LEU 34 1HD1 LEU 34 -5.104 -1.933 4.581 227 HD12 LEU 34 2HD1 LEU 34 -4.970 -0.315 5.311 228 HD13 LEU 34 3HD1 LEU 34 -4.659 -1.764 6.296 229 HD21 LEU 34 1HD2 LEU 34 -8.065 -2.057 4.308 230 HD22 LEU 34 2HD2 LEU 34 -6.778 -3.217 4.714 231 HD23 LEU 34 3HD2 LEU 34 -8.170 -3.015 5.805 232 H LYS 35 H LYS 35 -4.487 -1.090 9.550 233 HA LYS 35 HA LYS 35 -2.819 1.016 8.435 234 HB2 LYS 35 1HB LYS 35 -2.997 0.453 10.934 235 HB3 LYS 35 2HB LYS 35 -2.060 -0.982 10.572 236 HG2 LYS 35 1HG LYS 35 -1.078 1.711 9.591 237 HG3 LYS 35 2HG LYS 35 -0.839 1.273 11.271 238 HD2 LYS 35 1HD LYS 35 -0.097 -0.817 9.253 239 HD3 LYS 35 2HD LYS 35 0.914 0.614 9.282 240 HE2 LYS 35 1HE LYS 35 1.905 -0.013 11.234 241 HE3 LYS 35 2HE LYS 35 0.360 -0.298 12.010 242 HZ1 LYS 35 1HZ LYS 35 0.366 -2.460 11.379 243 HZ2 LYS 35 2HZ LYS 35 1.275 -2.225 10.043 244 HZ3 LYS 35 3HZ LYS 35 1.978 -2.237 11.517 245 H VAL 36 H VAL 36 -1.113 0.669 7.040 246 HA VAL 36 HA VAL 36 -0.828 -2.110 6.127 247 HB VAL 36 HB VAL 36 -0.562 0.524 4.670 248 HG11 VAL 36 1HG1 VAL 36 1.050 -1.609 4.176 249 HG12 VAL 36 2HG1 VAL 36 -0.341 -2.003 3.138 250 HG13 VAL 36 3HG1 VAL 36 0.512 -0.454 2.933 251 HG21 VAL 36 1HG2 VAL 36 -2.535 0.042 3.605 252 HG22 VAL 36 2HG2 VAL 36 -2.327 -1.718 3.769 253 HG23 VAL 36 3HG2 VAL 36 -2.845 -0.749 5.169 254 H SER 37 H SER 37 1.179 -3.052 6.204 255 HA SER 37 HA SER 37 3.411 -1.270 6.719 256 HB2 SER 37 1HB SER 37 4.169 -3.287 8.321 257 HB3 SER 37 2HB SER 37 3.215 -1.942 8.915 258 HG SER 37 HG SER 37 2.292 -3.972 9.564 259 H TRP 38 H TRP 38 5.392 -1.984 5.793 260 HA TRP 38 HA TRP 38 5.361 -4.619 4.530 261 HB2 TRP 38 1HB TRP 38 6.260 -3.647 2.444 262 HB3 TRP 38 2HB TRP 38 4.587 -3.235 2.764 263 HD1 TRP 38 HD TRP 38 8.059 -1.598 2.542 264 HE1 TRP 38 1HE TRP 38 7.879 1.032 2.432 265 HE3 TRP 38 3HE TRP 38 3.071 -1.376 3.504 266 HZ2 TRP 38 2HZ TRP 38 5.718 2.869 2.752 267 HZ3 TRP 38 3HZ TRP 38 2.004 0.875 3.588 268 HH2 TRP 38 HH TRP 38 3.244 2.951 3.231 269 H GLN 39 H GLN 39 7.851 -4.473 3.284 270 HA GLN 39 HA GLN 39 9.625 -3.460 5.346 271 HB2 GLN 39 1HB GLN 39 9.089 -6.271 4.762 272 HB3 GLN 39 2HB GLN 39 10.777 -5.900 4.473 273 HG2 GLN 39 1HG GLN 39 9.714 -4.687 6.965 274 HG3 GLN 39 2HG GLN 39 9.649 -6.438 6.962 275 HE21 GLN 39 1HE2 GLN 39 11.246 -5.028 8.697 276 HE22 GLN 39 2HE2 GLN 39 12.921 -5.296 8.343 277 H GLU 40 H GLU 40 12.080 -4.032 4.404 278 HA GLU 40 HA GLU 40 12.137 -2.513 2.005 279 HB2 GLU 40 1HB GLU 40 13.856 -2.883 4.168 280 HB3 GLU 40 2HB GLU 40 14.678 -3.744 2.883 281 HG2 GLU 40 1HG GLU 40 13.558 -0.995 2.302 282 HG3 GLU 40 2HG GLU 40 15.043 -1.120 3.224 283 HA PRO 41 HA PRO 41 12.366 -5.916 -0.695 284 HB2 PRO 41 1HB PRO 41 13.114 -4.627 -2.986 285 HB3 PRO 41 2HB PRO 41 11.457 -4.692 -2.421 286 HG2 PRO 41 1HG PRO 41 13.360 -2.432 -2.325 287 HG3 PRO 41 2HG PRO 41 11.615 -2.405 -2.168 288 HD2 PRO 41 1HD PRO 41 13.533 -2.170 -0.048 289 HD3 PRO 41 2HD PRO 41 11.790 -2.259 0.120 290 H GLY 42 H GLY 42 13.766 -7.311 -1.955 291 HA2 GLY 42 1HA GLY 42 16.410 -7.239 -0.814 292 HA3 GLY 42 2HA GLY 42 15.736 -8.444 -1.893 293 H GLU 43 H GLU 43 15.122 -5.316 -3.138 294 HA GLU 43 HA GLU 43 17.630 -5.333 -4.609 295 HB2 GLU 43 1HB GLU 43 14.819 -5.309 -5.755 296 HB3 GLU 43 2HB GLU 43 16.163 -4.636 -6.657 297 HG2 GLU 43 1HG GLU 43 16.426 -7.410 -5.471 298 HG3 GLU 43 2HG GLU 43 15.499 -7.197 -6.942 299 H LYS 44 H LYS 44 18.083 -3.607 -2.964 300 HA LYS 44 HA LYS 44 16.515 -1.292 -2.825 301 HB2 LYS 44 1HB LYS 44 19.367 -1.949 -2.087 302 HB3 LYS 44 2HB LYS 44 18.726 -0.330 -1.896 303 HG2 LYS 44 1HG LYS 44 16.706 -1.911 -0.786 304 HG3 LYS 44 2HG LYS 44 18.160 -2.774 -0.322 305 HD2 LYS 44 1HD LYS 44 19.076 -0.433 0.417 306 HD3 LYS 44 2HD LYS 44 17.412 0.106 0.307 307 HE2 LYS 44 1HE LYS 44 16.986 -0.777 2.351 308 HE3 LYS 44 2HE LYS 44 17.373 -2.376 1.747 309 HZ1 LYS 44 1HZ LYS 44 19.789 -1.394 2.071 310 HZ2 LYS 44 2HZ LYS 44 19.020 -0.551 3.239 311 HZ3 LYS 44 3HZ LYS 44 18.992 -2.184 3.257 312 H ASN 45 H ASN 45 19.395 -2.181 -4.818 313 HA ASN 45 HA ASN 45 20.395 -1.107 -6.446 314 HB2 ASN 45 1HB ASN 45 17.456 -1.121 -7.141 315 HB3 ASN 45 2HB ASN 45 18.517 -0.210 -8.197 316 HD21 ASN 45 1HD2 ASN 45 17.506 -3.307 -7.098 317 HD22 ASN 45 2HD2 ASN 45 18.444 -4.296 -8.167 318 H GLY 46 H GLY 46 20.912 0.679 -4.711 319 HA2 GLY 46 1HA GLY 46 21.439 2.988 -4.993 320 HA3 GLY 46 2HA GLY 46 19.855 3.255 -5.693 321 H ILE 47 H ILE 47 20.401 4.983 -3.739 322 HA ILE 47 HA ILE 47 19.553 3.888 -1.196 323 HB ILE 47 HB ILE 47 20.542 6.577 -2.116 324 HG12 ILE 47 1HG1 ILE 47 22.307 5.001 -1.864 325 HG13 ILE 47 2HG1 ILE 47 22.354 6.060 -0.469 326 HG21 ILE 47 1HG2 ILE 47 20.473 7.120 0.396 327 HG22 ILE 47 2HG2 ILE 47 18.957 7.231 -0.531 328 HG23 ILE 47 3HG2 ILE 47 19.266 5.817 0.506 329 HD11 ILE 47 1HD1 ILE 47 22.544 3.979 0.569 330 HD12 ILE 47 2HD1 ILE 47 20.778 4.200 0.617 331 HD13 ILE 47 3HD1 ILE 47 21.512 3.169 -0.635 332 H LEU 48 H LEU 48 17.418 3.487 -0.943 333 HA LEU 48 HA LEU 48 15.369 4.294 -2.458 334 HB2 LEU 48 1HB LEU 48 15.230 4.083 0.550 335 HB3 LEU 48 2HB LEU 48 13.921 3.849 -0.591 336 HG LEU 48 HG LEU 48 16.351 2.076 -0.237 337 HD11 LEU 48 1HD1 LEU 48 15.129 1.088 1.330 338 HD12 LEU 48 2HD1 LEU 48 13.724 2.118 0.967 339 HD13 LEU 48 3HD1 LEU 48 13.980 0.609 0.058 340 HD21 LEU 48 1HD2 LEU 48 15.834 2.117 -2.582 341 HD22 LEU 48 2HD2 LEU 48 15.249 0.582 -1.897 342 HD23 LEU 48 3HD2 LEU 48 14.099 1.892 -2.254 343 H THR 49 H THR 49 13.745 5.983 -2.381 344 HA THR 49 HA THR 49 14.683 8.427 -1.036 345 HB THR 49 HB THR 49 13.767 9.559 -3.211 346 HG1 THR 49 1HG THR 49 13.227 8.070 -4.775 347 HG21 THR 49 1HG2 THR 49 16.300 7.905 -3.005 348 HG22 THR 49 2HG2 THR 49 15.875 8.638 -4.570 349 HG23 THR 49 3HG2 THR 49 16.126 9.671 -3.143 350 H GLY 50 H GLY 50 12.383 6.068 -1.106 351 HA2 GLY 50 1HA GLY 50 10.603 6.986 0.585 352 HA3 GLY 50 2HA GLY 50 10.091 7.871 -0.838 353 H TYR 51 H TYR 51 8.122 6.360 -0.068 354 HA TYR 51 HA TYR 51 8.252 4.010 -1.821 355 HB2 TYR 51 1HB TYR 51 7.210 4.389 1.048 356 HB3 TYR 51 2HB TYR 51 6.682 3.035 0.067 357 HD1 TYR 51 2HD TYR 51 8.441 1.381 -0.776 358 HD2 TYR 51 1HD TYR 51 9.260 4.311 2.232 359 HE1 TYR 51 2HE TYR 51 10.477 0.054 -0.028 360 HE2 TYR 51 1HE TYR 51 11.294 2.974 2.970 361 HH TYR 51 HH TYR 51 12.234 0.021 1.241 362 H ARG 52 H ARG 52 6.431 3.665 -3.082 363 HA ARG 52 HA ARG 52 4.428 5.745 -2.815 364 HB2 ARG 52 1HB ARG 52 5.487 5.657 -5.021 365 HB3 ARG 52 2HB ARG 52 5.210 3.931 -5.147 366 HG2 ARG 52 1HG ARG 52 3.089 4.229 -5.920 367 HG3 ARG 52 2HG ARG 52 2.695 5.346 -4.628 368 HD2 ARG 52 1HD ARG 52 2.738 7.026 -6.156 369 HD3 ARG 52 2HD ARG 52 4.470 6.799 -6.288 370 HE ARG 52 HE ARG 52 4.152 5.738 -8.351 371 HH11 ARG 52 2HH2 ARG 52 1.094 5.817 -6.613 372 HH12 ARG 52 1HH2 ARG 52 0.172 5.215 -7.950 373 HH21 ARG 52 2HH1 ARG 52 2.937 4.943 -10.115 374 HH22 ARG 52 1HH1 ARG 52 1.228 4.714 -9.956 375 H ILE 53 H ILE 53 2.625 5.094 -1.675 376 HA ILE 53 HA ILE 53 1.843 2.279 -1.919 377 HB ILE 53 HB ILE 53 2.411 3.020 0.325 378 HG12 ILE 53 1HG1 ILE 53 -0.517 2.420 -0.159 379 HG13 ILE 53 2HG1 ILE 53 0.773 1.269 0.124 380 HG21 ILE 53 1HG2 ILE 53 1.129 5.410 -0.421 381 HG22 ILE 53 2HG2 ILE 53 0.140 4.707 0.881 382 HG23 ILE 53 3HG2 ILE 53 1.874 5.010 1.145 383 HD11 ILE 53 1HD1 ILE 53 0.516 1.461 2.364 384 HD12 ILE 53 2HD1 ILE 53 0.755 3.222 2.275 385 HD13 ILE 53 3HD1 ILE 53 -0.873 2.534 2.071 386 H SER 54 H SER 54 -0.361 1.737 -2.354 387 HA SER 54 HA SER 54 -2.120 3.910 -2.984 388 HB2 SER 54 1HB SER 54 -2.240 2.113 -5.243 389 HB3 SER 54 2HB SER 54 -1.944 3.840 -5.234 390 HG SER 54 HG SER 54 0.121 1.903 -4.645 391 H TRP 55 H TRP 55 -3.993 3.299 -1.970 392 HA TRP 55 HA TRP 55 -4.537 0.426 -1.776 393 HB2 TRP 55 1HB TRP 55 -5.930 0.948 0.096 394 HB3 TRP 55 2HB TRP 55 -4.350 1.668 0.329 395 HD1 TRP 55 HD TRP 55 -7.864 2.860 -0.917 396 HE1 TRP 55 1HE TRP 55 -8.306 5.354 -0.176 397 HE3 TRP 55 3HE TRP 55 -3.308 3.586 1.222 398 HZ2 TRP 55 2HZ TRP 55 -6.736 7.306 1.190 399 HZ3 TRP 55 3HZ TRP 55 -2.843 5.815 2.237 400 HH2 TRP 55 HH TRP 55 -4.469 7.640 2.244 401 H GLU 56 H GLU 56 -6.649 -0.365 -2.385 402 HA GLU 56 HA GLU 56 -8.601 1.375 -3.383 403 HB2 GLU 56 1HB GLU 56 -8.454 1.075 -5.727 404 HB3 GLU 56 2HB GLU 56 -6.802 1.398 -5.239 405 HG2 GLU 56 1HG GLU 56 -6.512 -1.177 -5.065 406 HG3 GLU 56 2HG GLU 56 -8.044 -1.302 -5.907 407 H GLU 57 H GLU 57 -10.551 0.173 -4.100 408 HA GLU 57 HA GLU 57 -11.051 -2.000 -2.552 409 HB2 GLU 57 1HB GLU 57 -12.369 -0.613 -4.804 410 HB3 GLU 57 2HB GLU 57 -12.816 -2.304 -4.692 411 HG2 GLU 57 1HG GLU 57 -13.010 -1.654 -2.059 412 HG3 GLU 57 2HG GLU 57 -13.314 -0.070 -2.744 413 H TYR 58 H TYR 58 -12.139 -4.114 -3.936 414 HA TYR 58 HA TYR 58 -9.857 -5.602 -4.628 415 HB2 TYR 58 1HB TYR 58 -11.857 -6.665 -3.712 416 HB3 TYR 58 2HB TYR 58 -12.905 -5.834 -4.845 417 HD1 TYR 58 1HD TYR 58 -9.938 -8.139 -5.069 418 HD2 TYR 58 2HD TYR 58 -13.879 -7.192 -6.441 419 HE1 TYR 58 1HE TYR 58 -9.899 -10.166 -6.603 420 HE2 TYR 58 2HE TYR 58 -13.826 -9.223 -7.970 421 HH TYR 58 HH TYR 58 -12.447 -10.707 -8.939 422 H ASN 59 H ASN 59 -12.712 -4.653 -6.681 423 HA ASN 59 HA ASN 59 -10.835 -4.621 -8.911 424 HB2 ASN 59 1HB ASN 59 -12.702 -5.442 -10.363 425 HB3 ASN 59 2HB ASN 59 -12.330 -6.593 -9.095 426 HD21 ASN 59 1HD2 ASN 59 -14.729 -6.615 -10.419 427 HD22 ASN 59 2HD2 ASN 59 -16.023 -6.169 -9.357 428 H ARG 60 H ARG 60 -10.864 -2.232 -8.003 429 HA ARG 60 HA ARG 60 -12.684 -0.786 -9.641 430 HB2 ARG 60 1HB ARG 60 -12.677 -0.172 -6.648 431 HB3 ARG 60 2HB ARG 60 -13.693 0.566 -7.871 432 HG2 ARG 60 1HG ARG 60 -14.762 -1.669 -8.306 433 HG3 ARG 60 2HG ARG 60 -13.771 -2.376 -7.045 434 HD2 ARG 60 1HD ARG 60 -15.405 -1.808 -5.569 435 HD3 ARG 60 2HD ARG 60 -14.928 -0.136 -5.790 436 HE ARG 60 HE ARG 60 -16.824 0.218 -7.131 437 HH11 ARG 60 2HH2 ARG 60 -16.311 -3.237 -6.709 438 HH12 ARG 60 1HH2 ARG 60 -17.823 -3.679 -7.427 439 HH21 ARG 60 2HH1 ARG 60 -18.820 -0.364 -8.079 440 HH22 ARG 60 1HH1 ARG 60 -19.260 -2.034 -8.212 441 H THR 61 H THR 61 -10.989 0.270 -10.698 442 HA THR 61 HA THR 61 -8.715 1.221 -9.217 443 HB THR 61 HB THR 61 -9.629 1.450 -12.132 444 HG1 THR 61 1HG THR 61 -9.042 -0.685 -11.237 445 HG21 THR 61 1HG2 THR 61 -7.219 2.495 -10.655 446 HG22 THR 61 2HG2 THR 61 -6.925 1.684 -12.212 447 HG23 THR 61 3HG2 THR 61 -7.986 3.111 -12.138 448 H ASN 62 H ASN 62 -11.887 2.366 -9.734 449 HA ASN 62 HA ASN 62 -11.203 5.100 -9.948 450 HB2 ASN 62 1HB ASN 62 -13.599 5.495 -9.741 451 HB3 ASN 62 2HB ASN 62 -13.403 4.048 -10.710 452 HD21 ASN 62 1HD2 ASN 62 -14.319 2.216 -10.098 453 HD22 ASN 62 2HD2 ASN 62 -15.112 1.918 -8.587 454 H THR 63 H THR 63 -10.867 2.846 -7.480 455 HA THR 63 HA THR 63 -11.308 4.877 -5.390 456 HB THR 63 HB THR 63 -11.934 3.031 -3.911 457 HG1 THR 63 1HG THR 63 -11.403 1.388 -6.281 458 HG21 THR 63 1HG2 THR 63 -13.177 2.490 -6.660 459 HG22 THR 63 2HG2 THR 63 -13.846 1.986 -5.090 460 HG23 THR 63 3HG2 THR 63 -13.767 3.714 -5.509 461 H ARG 64 H ARG 64 -8.936 4.516 -7.125 462 HA ARG 64 HA ARG 64 -7.089 3.371 -5.221 463 HB2 ARG 64 1HB ARG 64 -6.984 2.784 -7.702 464 HB3 ARG 64 2HB ARG 64 -6.538 4.446 -8.032 465 HG2 ARG 64 1HG ARG 64 -4.564 4.154 -6.440 466 HG3 ARG 64 2HG ARG 64 -4.975 2.454 -6.325 467 HD2 ARG 64 1HD ARG 64 -4.481 2.051 -8.635 468 HD3 ARG 64 2HD ARG 64 -4.552 3.754 -9.042 469 HE ARG 64 HE ARG 64 -2.497 3.413 -7.093 470 HH11 ARG 64 2HH2 ARG 64 -3.173 2.552 -10.437 471 HH12 ARG 64 1HH2 ARG 64 -1.504 2.504 -10.897 472 HH21 ARG 64 2HH1 ARG 64 -0.294 3.350 -7.699 473 HH22 ARG 64 1HH1 ARG 64 0.145 2.961 -9.328 474 H VAL 65 H VAL 65 -5.447 4.619 -4.197 475 HA VAL 65 HA VAL 65 -5.619 7.511 -4.699 476 HB VAL 65 HB VAL 65 -6.657 6.711 -2.566 477 HG11 VAL 65 1HG1 VAL 65 -4.662 6.338 -0.789 478 HG12 VAL 65 2HG1 VAL 65 -5.496 5.001 -1.619 479 HG13 VAL 65 3HG1 VAL 65 -3.926 5.583 -2.223 480 HG21 VAL 65 1HG2 VAL 65 -5.962 8.578 -1.377 481 HG22 VAL 65 2HG2 VAL 65 -4.265 8.405 -1.887 482 HG23 VAL 65 3HG2 VAL 65 -5.484 9.005 -3.038 483 H THR 66 H THR 66 -3.570 8.701 -4.185 484 HA THR 66 HA THR 66 -1.221 6.955 -4.500 485 HB THR 66 HB THR 66 -1.825 9.593 -5.941 486 HG1 THR 66 1HG THR 66 -2.540 8.175 -7.503 487 HG21 THR 66 1HG2 THR 66 0.316 9.524 -6.766 488 HG22 THR 66 2HG2 THR 66 0.676 8.431 -5.408 489 HG23 THR 66 3HG2 THR 66 0.243 7.761 -7.000 490 H HIS 67 H HIS 67 0.041 7.094 -2.763 491 HA HIS 67 HA HIS 67 0.258 9.745 -1.538 492 HB2 HIS 67 1HB HIS 67 -0.429 7.131 -0.325 493 HB3 HIS 67 2HB HIS 67 0.765 8.071 0.549 494 HD1 HIS 67 1HD HIS 67 -0.409 10.937 0.031 495 HD2 HIS 67 2HD HIS 67 -2.649 7.602 1.236 496 HE1 HIS 67 1HE HIS 67 -2.502 11.854 1.168 497 H TYR 68 H TYR 68 2.358 10.042 -0.318 498 HA TYR 68 HA TYR 68 4.475 8.340 -1.435 499 HB2 TYR 68 1HB TYR 68 4.075 11.381 -1.332 500 HB3 TYR 68 2HB TYR 68 5.693 10.717 -1.456 501 HD1 TYR 68 1HD TYR 68 5.660 8.643 -3.371 502 HD2 TYR 68 2HD TYR 68 3.297 12.210 -3.345 503 HE1 TYR 68 1HE TYR 68 5.401 8.499 -5.896 504 HE2 TYR 68 2HE TYR 68 3.046 12.053 -5.870 505 HH TYR 68 HH TYR 68 4.260 11.081 -7.741 506 H LEU 69 H LEU 69 5.977 7.680 0.046 507 HA LEU 69 HA LEU 69 6.029 9.145 2.588 508 HB2 LEU 69 1HB LEU 69 6.339 6.163 2.429 509 HB3 LEU 69 2HB LEU 69 6.038 7.167 3.833 510 HG LEU 69 HG LEU 69 3.995 6.967 1.628 511 HD11 LEU 69 1HD1 LEU 69 3.797 4.775 1.992 512 HD12 LEU 69 2HD1 LEU 69 4.841 4.829 3.432 513 HD13 LEU 69 3HD1 LEU 69 3.110 5.218 3.573 514 HD21 LEU 69 1HD2 LEU 69 2.468 7.330 3.640 515 HD22 LEU 69 2HD2 LEU 69 3.946 7.731 4.547 516 HD23 LEU 69 3HD2 LEU 69 3.482 8.700 3.128 517 HA PRO 70 HA PRO 70 10.315 9.084 2.094 518 HB2 PRO 70 1HB PRO 70 11.252 8.986 4.659 519 HB3 PRO 70 2HB PRO 70 10.648 10.453 3.916 520 HG2 PRO 70 1HG PRO 70 9.346 8.724 5.929 521 HG3 PRO 70 2HG PRO 70 8.969 10.380 5.495 522 HD2 PRO 70 1HD PRO 70 7.520 8.029 4.719 523 HD3 PRO 70 2HD PRO 70 7.213 9.672 4.192 524 H ASN 71 H ASN 71 12.492 7.989 2.678 525 HA ASN 71 HA ASN 71 11.946 5.232 2.192 526 HB2 ASN 71 1HB ASN 71 14.528 5.127 2.123 527 HB3 ASN 71 2HB ASN 71 13.775 6.164 0.928 528 HD21 ASN 71 1HD2 ASN 71 16.424 6.389 1.769 529 HD22 ASN 71 2HD2 ASN 71 16.658 7.903 2.577 530 H VAL 72 H VAL 72 11.430 6.686 4.899 531 HA VAL 72 HA VAL 72 13.116 4.942 6.560 532 HB VAL 72 HB VAL 72 12.940 6.582 8.306 533 HG11 VAL 72 1HG1 VAL 72 13.786 7.714 5.626 534 HG12 VAL 72 2HG1 VAL 72 14.081 8.544 7.172 535 HG13 VAL 72 3HG1 VAL 72 14.803 6.945 6.868 536 HG21 VAL 72 1HG2 VAL 72 11.307 8.096 8.434 537 HG22 VAL 72 2HG2 VAL 72 11.789 8.814 6.878 538 HG23 VAL 72 3HG2 VAL 72 10.644 7.452 6.913 539 H THR 73 H THR 73 9.949 5.747 5.404 540 HA THR 73 HA THR 73 8.724 4.255 7.624 541 HB THR 73 HB THR 73 7.687 6.307 5.610 542 HG1 THR 73 1HG THR 73 7.209 7.275 7.785 543 HG21 THR 73 1HG2 THR 73 6.150 4.686 7.708 544 HG22 THR 73 2HG2 THR 73 5.504 6.086 6.819 545 HG23 THR 73 3HG2 THR 73 5.908 4.587 5.947 546 H LEU 74 H LEU 74 7.510 2.415 7.281 547 HA LEU 74 HA LEU 74 7.375 1.488 4.510 548 HB2 LEU 74 1HB LEU 74 8.183 -0.361 6.734 549 HB3 LEU 74 2HB LEU 74 8.268 -0.618 5.002 550 HG LEU 74 HG LEU 74 9.906 1.599 6.158 551 HD11 LEU 74 1HD1 LEU 74 10.993 0.315 7.605 552 HD12 LEU 74 2HD1 LEU 74 10.092 -1.131 7.087 553 HD13 LEU 74 3HD1 LEU 74 11.577 -0.653 6.230 554 HD21 LEU 74 1HD2 LEU 74 11.019 -0.335 4.217 555 HD22 LEU 74 2HD2 LEU 74 9.626 0.618 3.650 556 HD23 LEU 74 3HD2 LEU 74 11.085 1.444 4.246 557 H GLU 75 H GLU 75 5.683 2.565 7.030 558 HA GLU 75 HA GLU 75 3.533 0.711 6.456 559 HB2 GLU 75 1HB GLU 75 2.937 0.414 8.771 560 HB3 GLU 75 2HB GLU 75 4.644 0.042 8.634 561 HG2 GLU 75 1HG GLU 75 4.329 2.890 9.133 562 HG3 GLU 75 2HG GLU 75 3.408 1.993 10.324 563 H TYR 76 H TYR 76 1.384 1.655 6.734 564 HA TYR 76 HA TYR 76 1.202 4.411 7.529 565 HB2 TYR 76 1HB TYR 76 2.049 4.452 5.132 566 HB3 TYR 76 2HB TYR 76 0.733 3.398 4.654 567 HD1 TYR 76 2HD TYR 76 -1.614 4.252 4.635 568 HD2 TYR 76 1HD TYR 76 1.717 6.821 5.416 569 HE1 TYR 76 2HE TYR 76 -3.062 6.287 4.158 570 HE2 TYR 76 1HE TYR 76 0.258 8.847 4.937 571 HH TYR 76 HH TYR 76 -2.064 9.056 3.346 572 H ARG 77 H ARG 77 -1.014 5.116 7.766 573 HA ARG 77 HA ARG 77 -2.768 2.835 7.987 574 HB2 ARG 77 1HB ARG 77 -2.318 4.606 9.870 575 HB3 ARG 77 2HB ARG 77 -3.365 5.665 8.947 576 HG2 ARG 77 1HG ARG 77 -4.672 3.100 9.146 577 HG3 ARG 77 2HG ARG 77 -4.113 3.537 10.748 578 HD2 ARG 77 1HD ARG 77 -5.179 5.943 9.715 579 HD3 ARG 77 2HD ARG 77 -6.292 4.710 9.156 580 HE ARG 77 HE ARG 77 -5.875 4.047 11.823 581 HH11 ARG 77 2HH2 ARG 77 -6.927 6.954 10.142 582 HH12 ARG 77 1HH2 ARG 77 -7.903 7.515 11.458 583 HH21 ARG 77 2HH1 ARG 77 -7.163 4.786 13.559 584 HH22 ARG 77 1HH1 ARG 77 -8.039 6.274 13.415 585 H VAL 78 H VAL 78 -4.544 2.554 6.637 586 HA VAL 78 HA VAL 78 -4.983 4.654 4.653 587 HB VAL 78 HB VAL 78 -5.802 1.743 4.736 588 HG11 VAL 78 1HG1 VAL 78 -6.322 3.954 2.761 589 HG12 VAL 78 2HG1 VAL 78 -6.165 2.272 2.201 590 HG13 VAL 78 3HG1 VAL 78 -7.426 2.703 3.381 591 HG21 VAL 78 1HG2 VAL 78 -3.428 1.880 4.468 592 HG22 VAL 78 2HG2 VAL 78 -4.123 1.549 2.863 593 HG23 VAL 78 3HG2 VAL 78 -3.575 3.192 3.274 594 H THR 79 H THR 79 -7.141 5.398 4.170 595 HA THR 79 HA THR 79 -9.277 4.591 5.933 596 HB THR 79 HB THR 79 -9.559 6.857 6.902 597 HG1 THR 79 1HG THR 79 -7.046 7.289 5.445 598 HG21 THR 79 1HG2 THR 79 -6.609 6.076 7.142 599 HG22 THR 79 2HG2 THR 79 -7.570 7.008 8.316 600 HG23 THR 79 3HG2 THR 79 -7.908 5.279 8.062 601 H GLY 80 H GLY 80 -11.327 5.100 5.140 602 HA2 GLY 80 1HA GLY 80 -12.729 6.339 3.684 603 HA3 GLY 80 2HA GLY 80 -11.377 6.593 2.599 604 H LEU 81 H LEU 81 -11.794 3.416 4.106 605 HA LEU 81 HA LEU 81 -12.284 2.311 1.469 606 HB2 LEU 81 1HB LEU 81 -11.877 0.748 4.000 607 HB3 LEU 81 2HB LEU 81 -11.569 0.265 2.344 608 HG LEU 81 HG LEU 81 -9.997 2.521 3.565 609 HD11 LEU 81 1HD1 LEU 81 -8.518 0.082 3.768 610 HD12 LEU 81 2HD1 LEU 81 -8.967 1.236 5.047 611 HD13 LEU 81 3HD1 LEU 81 -10.060 -0.108 4.635 612 HD21 LEU 81 1HD2 LEU 81 -8.576 2.268 1.817 613 HD22 LEU 81 2HD2 LEU 81 -8.819 0.508 1.722 614 HD23 LEU 81 3HD2 LEU 81 -10.039 1.612 1.045 615 H THR 82 H THR 82 -13.591 -0.118 2.620 616 HA THR 82 HA THR 82 -16.173 1.009 3.435 617 HB THR 82 HB THR 82 -15.585 -0.827 1.059 618 HG1 THR 82 1HG THR 82 -15.755 1.224 0.232 619 HG21 THR 82 1HG2 THR 82 -17.678 -1.475 2.488 620 HG22 THR 82 2HG2 THR 82 -18.331 0.107 2.000 621 HG23 THR 82 3HG2 THR 82 -17.950 -1.117 0.766 622 H ALA 83 H ALA 83 -17.549 -0.444 4.590 623 HA ALA 83 HA ALA 83 -16.044 -2.213 6.231 624 HB1 ALA 83 1HB ALA 83 -17.833 -2.009 7.612 625 HB2 ALA 83 2HB ALA 83 -18.340 -0.719 6.495 626 HB3 ALA 83 3HB ALA 83 -18.996 -2.364 6.313 627 H LEU 84 H LEU 84 -16.125 -4.492 6.342 628 HA LEU 84 HA LEU 84 -15.977 -6.463 5.292 629 HB2 LEU 84 1HB LEU 84 -18.928 -5.946 4.909 630 HB3 LEU 84 2HB LEU 84 -18.138 -7.509 4.955 631 HG LEU 84 HG LEU 84 -18.639 -5.582 7.213 632 HD11 LEU 84 1HD1 LEU 84 -20.421 -7.071 6.986 633 HD12 LEU 84 2HD1 LEU 84 -19.355 -8.445 6.606 634 HD13 LEU 84 3HD1 LEU 84 -19.416 -7.798 8.263 635 HD21 LEU 84 1HD2 LEU 84 -17.274 -7.365 8.568 636 HD22 LEU 84 2HD2 LEU 84 -16.460 -7.629 7.007 637 HD23 LEU 84 3HD2 LEU 84 -16.447 -6.014 7.756 638 H THR 85 H THR 85 -14.737 -4.993 3.575 639 HA THR 85 HA THR 85 -15.841 -5.810 0.998 640 HB THR 85 HB THR 85 -15.125 -2.973 1.867 641 HG1 THR 85 1HG THR 85 -17.287 -4.459 0.562 642 HG21 THR 85 1HG2 THR 85 -14.689 -2.335 -0.298 643 HG22 THR 85 2HG2 THR 85 -14.319 -4.052 -0.585 644 HG23 THR 85 3HG2 THR 85 -15.942 -3.418 -0.949 645 H THR 86 H THR 86 -14.303 -6.309 -0.572 646 HA THR 86 HA THR 86 -11.690 -6.857 0.542 647 HB THR 86 HB THR 86 -12.929 -7.424 -2.204 648 HG1 THR 86 1HG THR 86 -13.222 -9.539 -1.048 649 HG21 THR 86 1HG2 THR 86 -10.688 -8.889 -0.727 650 HG22 THR 86 2HG2 THR 86 -11.234 -9.150 -2.401 651 HG23 THR 86 3HG2 THR 86 -10.367 -7.656 -1.970 652 H TYR 87 H TYR 87 -9.874 -5.705 0.289 653 HA TYR 87 HA TYR 87 -9.863 -3.710 -1.864 654 HB2 TYR 87 1HB TYR 87 -9.411 -3.544 1.146 655 HB3 TYR 87 2HB TYR 87 -8.453 -2.489 0.128 656 HD1 TYR 87 2HD TYR 87 -11.832 -3.227 1.370 657 HD2 TYR 87 1HD TYR 87 -9.487 -0.643 -1.105 658 HE1 TYR 87 2HE TYR 87 -13.746 -1.556 1.288 659 HE2 TYR 87 1HE TYR 87 -11.409 1.019 -1.179 660 HH TYR 87 HH TYR 87 -14.190 0.570 -0.839 661 H THR 88 H THR 88 -7.716 -3.098 -2.610 662 HA THR 88 HA THR 88 -5.658 -5.059 -1.830 663 HB THR 88 HB THR 88 -6.790 -4.239 -4.489 664 HG1 THR 88 1HG THR 88 -6.962 -6.382 -3.456 665 HG21 THR 88 1HG2 THR 88 -3.880 -5.124 -4.185 666 HG22 THR 88 2HG2 THR 88 -4.729 -4.680 -5.686 667 HG23 THR 88 3HG2 THR 88 -4.333 -3.429 -4.483 668 H ILE 89 H ILE 89 -3.901 -4.207 -0.926 669 HA ILE 89 HA ILE 89 -3.459 -1.345 -1.382 670 HB ILE 89 HB ILE 89 -2.350 -3.050 0.843 671 HG12 ILE 89 1HG1 ILE 89 -4.657 -3.266 1.185 672 HG13 ILE 89 2HG1 ILE 89 -4.182 -1.937 2.224 673 HG21 ILE 89 1HG2 ILE 89 -1.214 -0.891 0.290 674 HG22 ILE 89 2HG2 ILE 89 -2.735 -0.051 0.677 675 HG23 ILE 89 3HG2 ILE 89 -1.882 -0.975 1.937 676 HD11 ILE 89 1HD1 ILE 89 -5.888 -0.803 1.221 677 HD12 ILE 89 2HD1 ILE 89 -4.757 -0.608 -0.140 678 HD13 ILE 89 3HD1 ILE 89 -5.947 -1.932 -0.153 679 H GLU 90 H GLU 90 -1.844 -0.778 -2.729 680 HA GLU 90 HA GLU 90 0.159 -2.823 -3.249 681 HB2 GLU 90 1HB GLU 90 -0.520 -0.359 -4.913 682 HB3 GLU 90 2HB GLU 90 0.564 -1.656 -5.378 683 HG2 GLU 90 1HG GLU 90 -1.157 -2.976 -6.069 684 HG3 GLU 90 2HG GLU 90 -2.044 -2.728 -4.578 685 H VAL 91 H VAL 91 2.262 -2.505 -2.613 686 HA VAL 91 HA VAL 91 2.956 0.222 -1.760 687 HB VAL 91 HB VAL 91 3.710 -2.452 -0.567 688 HG11 VAL 91 1HG1 VAL 91 5.422 -0.352 -0.711 689 HG12 VAL 91 2HG1 VAL 91 4.550 0.050 0.787 690 HG13 VAL 91 3HG1 VAL 91 5.385 -1.514 0.636 691 HG21 VAL 91 1HG2 VAL 91 1.445 -1.528 -0.008 692 HG22 VAL 91 2HG2 VAL 91 2.525 -1.721 1.394 693 HG23 VAL 91 3HG2 VAL 91 2.254 -0.107 0.694 694 H ALA 92 H ALA 92 4.579 1.138 -2.904 695 HA ALA 92 HA ALA 92 6.466 -0.691 -4.218 696 HB1 ALA 92 1HB ALA 92 6.284 1.617 -5.809 697 HB2 ALA 92 2HB ALA 92 5.622 0.008 -6.185 698 HB3 ALA 92 3HB ALA 92 4.600 1.226 -5.385 699 H ALA 93 H ALA 93 8.630 0.196 -4.507 700 HA ALA 93 HA ALA 93 9.212 2.169 -2.434 701 HB1 ALA 93 1HB ALA 93 11.589 1.316 -2.867 702 HB2 ALA 93 2HB ALA 93 10.444 0.143 -2.173 703 HB3 ALA 93 3HB ALA 93 10.846 0.075 -3.905 704 H MET 94 H MET 94 10.903 3.840 -2.934 705 HA MET 94 HA MET 94 10.896 4.516 -5.765 706 HB2 MET 94 1HB MET 94 10.271 6.337 -3.377 707 HB3 MET 94 2HB MET 94 10.626 6.963 -4.975 708 HG2 MET 94 1HG MET 94 8.705 5.482 -5.854 709 HG3 MET 94 2HG MET 94 8.284 5.172 -4.182 710 HE1 MET 94 1HE MET 94 7.235 7.050 -2.523 711 HE2 MET 94 2HE MET 94 8.920 7.608 -2.649 712 HE3 MET 94 3HE MET 94 7.582 8.769 -2.824 713 H THR 95 H THR 95 12.880 5.190 -6.551 714 HA THR 95 HA THR 95 14.945 5.765 -4.529 715 HB THR 95 HB THR 95 16.470 4.629 -6.321 716 HG1 THR 95 1HG THR 95 15.301 3.687 -7.976 717 HG21 THR 95 1HG2 THR 95 15.326 2.254 -5.736 718 HG22 THR 95 2HG2 THR 95 16.230 3.168 -4.504 719 HG23 THR 95 3HG2 THR 95 14.452 3.251 -4.548 720 H SER 96 H SER 96 16.991 6.441 -6.360 721 HA SER 96 HA SER 96 16.229 9.097 -6.827 722 HB2 SER 96 1HB SER 96 18.689 7.477 -7.594 723 HB3 SER 96 2HB SER 96 18.535 9.179 -7.979 724 HG SER 96 HG SER 96 19.662 8.636 -5.909 725 H LYS 97 H LYS 97 15.643 6.225 -8.554 726 HA LYS 97 HA LYS 97 15.777 7.492 -11.166 727 HB2 LYS 97 1HB LYS 97 15.280 4.667 -10.218 728 HB3 LYS 97 2HB LYS 97 14.990 5.150 -11.877 729 HG2 LYS 97 1HG LYS 97 17.631 5.943 -10.677 730 HG3 LYS 97 2HG LYS 97 17.397 4.240 -11.019 731 HD2 LYS 97 1HD LYS 97 18.415 5.382 -12.963 732 HD3 LYS 97 2HD LYS 97 16.830 4.760 -13.378 733 HE2 LYS 97 1HE LYS 97 15.817 6.980 -13.123 734 HE3 LYS 97 2HE LYS 97 17.307 7.639 -12.477 735 HZ1 LYS 97 1HZ LYS 97 18.283 6.855 -14.683 736 HZ2 LYS 97 2HZ LYS 97 16.738 6.799 -15.210 737 HZ3 LYS 97 3HZ LYS 97 17.369 8.209 -14.681 738 H GLY 98 H GLY 98 13.345 5.842 -9.031 739 HA2 GLY 98 1HA GLY 98 11.356 7.734 -9.291 740 HA3 GLY 98 2HA GLY 98 11.135 6.641 -10.643 741 H GLN 99 H GLN 99 10.033 4.738 -10.316 742 HA GLN 99 HA GLN 99 9.847 3.834 -7.553 743 HB2 GLN 99 1HB GLN 99 7.759 5.019 -8.101 744 HB3 GLN 99 2HB GLN 99 7.558 4.063 -9.556 745 HG2 GLN 99 1HG GLN 99 7.810 2.055 -7.700 746 HG3 GLN 99 2HG GLN 99 7.086 3.301 -6.702 747 HE21 GLN 99 1HE2 GLN 99 5.033 4.045 -7.109 748 HE22 GLN 99 2HE2 GLN 99 3.914 3.251 -8.166 749 H GLY 100 H GLY 100 9.873 1.568 -7.262 750 HA2 GLY 100 1HA GLY 100 10.553 0.050 -9.694 751 HA3 GLY 100 2HA GLY 100 11.025 -0.341 -8.052 752 H GLN 101 H GLN 101 10.145 -2.518 -8.404 753 HA GLN 101 HA GLN 101 7.679 -3.145 -9.240 754 HB2 GLN 101 1HB GLN 101 9.774 -4.473 -7.970 755 HB3 GLN 101 2HB GLN 101 8.458 -4.674 -6.830 756 HG2 GLN 101 1HG GLN 101 7.369 -6.144 -8.188 757 HG3 GLN 101 2HG GLN 101 7.534 -5.098 -9.584 758 HE21 GLN 101 1HE2 GLN 101 8.008 -8.062 -8.861 759 HE22 GLN 101 2HE2 GLN 101 9.529 -8.448 -9.593 760 H VAL 102 H VAL 102 5.773 -4.027 -7.811 761 HA VAL 102 HA VAL 102 5.375 -2.315 -5.477 762 HB VAL 102 HB VAL 102 4.371 -1.559 -7.847 763 HG11 VAL 102 1HG1 VAL 102 3.065 -3.835 -7.788 764 HG12 VAL 102 2HG1 VAL 102 1.974 -2.956 -6.690 765 HG13 VAL 102 3HG1 VAL 102 2.252 -2.351 -8.341 766 HG21 VAL 102 1HG2 VAL 102 2.363 -1.045 -5.813 767 HG22 VAL 102 2HG2 VAL 102 4.007 -0.893 -5.148 768 HG23 VAL 102 3HG2 VAL 102 3.529 0.068 -6.568 769 H SER 103 H SER 103 4.250 -3.318 -3.813 770 HA SER 103 HA SER 103 3.601 -6.097 -4.369 771 HB2 SER 103 1HB SER 103 4.586 -4.608 -1.948 772 HB3 SER 103 2HB SER 103 3.577 -6.015 -1.674 773 HG SER 103 HG SER 103 6.068 -5.912 -3.147 774 H ALA 104 H ALA 104 1.437 -6.326 -4.846 775 HA ALA 104 HA ALA 104 -0.441 -4.674 -3.310 776 HB1 ALA 104 1HB ALA 104 -0.210 -4.747 -5.968 777 HB2 ALA 104 2HB ALA 104 -1.228 -6.194 -5.776 778 HB3 ALA 104 3HB ALA 104 -1.800 -4.618 -5.177 779 H SER 105 H SER 105 -1.644 -5.665 -1.767 780 HA SER 105 HA SER 105 -2.001 -8.540 -2.076 781 HB2 SER 105 1HB SER 105 -0.678 -7.078 0.089 782 HB3 SER 105 2HB SER 105 -2.032 -8.006 0.702 783 HG SER 105 HG SER 105 0.135 -9.038 -0.923 784 H THR 106 H THR 106 -4.106 -9.280 -1.678 785 HA THR 106 HA THR 106 -6.128 -7.252 -1.438 786 HB THR 106 HB THR 106 -6.555 -10.264 -1.397 787 HG1 THR 106 1HG THR 106 -5.140 -10.056 -3.139 788 HG21 THR 106 1HG2 THR 106 -8.203 -9.290 -3.298 789 HG22 THR 106 2HG2 THR 106 -8.670 -9.265 -1.581 790 HG23 THR 106 3HG2 THR 106 -8.018 -7.797 -2.347 791 H ILE 107 H ILE 107 -7.539 -6.842 0.238 792 HA ILE 107 HA ILE 107 -7.362 -8.469 2.611 793 HB ILE 107 HB ILE 107 -5.512 -7.129 3.103 794 HG12 ILE 107 1HG1 ILE 107 -6.394 -5.579 4.934 795 HG13 ILE 107 2HG1 ILE 107 -8.005 -6.053 4.434 796 HG21 ILE 107 1HG2 ILE 107 -5.974 -4.494 3.055 797 HG22 ILE 107 2HG2 ILE 107 -5.309 -5.386 1.666 798 HG23 ILE 107 3HG2 ILE 107 -7.043 -4.987 1.720 799 HD11 ILE 107 1HD1 ILE 107 -6.829 -7.409 6.345 800 HD12 ILE 107 2HD1 ILE 107 -7.694 -8.308 5.075 801 HD13 ILE 107 3HD1 ILE 107 -5.920 -8.175 5.020 802 H SER 108 H SER 108 -9.326 -8.547 3.622 803 HA SER 108 HA SER 108 -11.334 -6.792 2.486 804 HB2 SER 108 1HB SER 108 -12.124 -8.977 2.282 805 HB3 SER 108 2HB SER 108 -11.355 -9.514 3.762 806 HG SER 108 HG SER 108 -12.989 -8.603 4.999 807 H SER 109 H SER 109 -12.040 -5.052 3.667 808 HA SER 109 HA SER 109 -11.041 -4.183 5.935 809 HB2 SER 109 1HB SER 109 -13.211 -2.964 6.320 810 HB3 SER 109 2HB SER 109 -12.629 -2.859 4.671 811 HG SER 109 HG SER 109 -14.847 -3.349 4.595 812 H GLY 110 H GLY 110 -11.670 -4.192 8.239 813 HA2 GLY 110 1HA GLY 110 -12.124 -6.768 9.259 814 HA3 GLY 110 2HA GLY 110 -12.140 -5.264 10.157 815 H VAL 111 H VAL 111 -14.118 -4.187 10.610 816 HA VAL 111 HA VAL 111 -16.540 -4.821 9.376 817 HB VAL 111 HB VAL 111 -16.296 -6.997 10.375 818 HG11 VAL 111 1HG1 VAL 111 -14.722 -6.428 12.170 819 HG12 VAL 111 2HG1 VAL 111 -16.013 -5.564 13.039 820 HG13 VAL 111 3HG1 VAL 111 -16.122 -7.325 12.805 821 HG21 VAL 111 1HG2 VAL 111 -18.552 -6.313 10.298 822 HG22 VAL 111 2HG2 VAL 111 -18.323 -6.950 11.945 823 HG23 VAL 111 3HG2 VAL 111 -18.351 -5.192 11.666 824 HA PRO 112 HA PRO 112 -17.307 -1.188 11.599 825 HB2 PRO 112 1HB PRO 112 -19.963 -0.848 11.052 826 HB3 PRO 112 2HB PRO 112 -18.689 -0.389 9.939 827 HG2 PRO 112 1HG PRO 112 -20.511 -2.714 9.814 828 HG3 PRO 112 2HG PRO 112 -19.543 -2.007 8.535 829 HD2 PRO 112 1HD PRO 112 -18.976 -4.416 9.985 830 HD3 PRO 112 2HD PRO 112 -17.953 -3.648 8.788 831 HA PRO 113 HA PRO 113 -18.654 -2.606 15.405 832 HB2 PRO 113 1HB PRO 113 -17.870 -0.472 16.921 833 HB3 PRO 113 2HB PRO 113 -16.798 -1.792 16.497 834 HG2 PRO 113 1HG PRO 113 -16.887 0.951 15.397 835 HG3 PRO 113 2HG PRO 113 -15.591 -0.226 15.309 836 HD2 PRO 113 1HD PRO 113 -17.420 0.473 13.212 837 HD3 PRO 113 2HD PRO 113 -16.200 -0.784 13.163 838 H SER 114 H SER 114 -19.785 0.033 13.672 839 HA SER 114 HA SER 114 -21.830 0.544 15.647 840 HB2 SER 114 1HB SER 114 -20.473 2.158 13.787 841 HB3 SER 114 2HB SER 114 -22.073 1.984 13.093 842 HG SER 114 HG SER 114 -22.786 2.508 15.453 843 H GLY 115 H GLY 115 -23.197 -1.291 15.553 844 HA2 GLY 115 1HA GLY 115 -25.358 -1.499 14.123 845 HA3 GLY 115 2HA GLY 115 -24.225 -2.083 12.920 846 HA PRO 116 HA PRO 116 -25.418 -5.548 15.698 847 HB2 PRO 116 1HB PRO 116 -26.932 -7.024 13.968 848 HB3 PRO 116 2HB PRO 116 -27.620 -5.912 15.134 849 HG2 PRO 116 1HG PRO 116 -27.320 -5.581 12.212 850 HG3 PRO 116 2HG PRO 116 -28.361 -4.703 13.315 851 HD2 PRO 116 1HD PRO 116 -25.899 -3.775 12.171 852 HD3 PRO 116 2HD PRO 116 -26.880 -2.945 13.363 853 H SER 117 H SER 117 -24.615 -5.648 12.282 854 HA SER 117 HA SER 117 -23.321 -7.005 11.156 855 HB2 SER 117 1HB SER 117 -21.679 -6.367 13.620 856 HB3 SER 117 2HB SER 117 -21.007 -7.392 12.367 857 HG SER 117 HG SER 117 -22.174 -5.165 11.238 858 H SER 118 H SER 118 -24.497 -8.971 11.029 859 HA SER 118 HA SER 118 -23.553 -10.986 12.907 860 HB2 SER 118 1HB SER 118 -26.017 -10.108 13.215 861 HB3 SER 118 2HB SER 118 -26.367 -11.057 11.784 862 HG SER 118 HG SER 118 -24.868 -12.415 13.746 863 H GLY 119 H GLY 119 -25.454 -10.524 9.830 864 HA2 GLY 119 1HA GLY 119 -24.278 -11.256 7.789 865 HA3 GLY 119 2HA GLY 119 -23.858 -12.722 8.653 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.153 -15.146 5.518 2 HA2 GLY 1 1HA GLY 1 7.946 -14.189 5.722 3 HA3 GLY 1 2HA GLY 1 7.534 -15.888 5.594 4 H SER 2 H SER 2 5.924 -16.395 3.651 5 HA SER 2 HA SER 2 6.545 -14.662 1.416 6 HB2 SER 2 1HB SER 2 7.099 -16.690 0.013 7 HB3 SER 2 2HB SER 2 8.286 -16.326 1.250 8 HG SER 2 HG SER 2 7.323 -18.659 0.919 9 H SER 3 H SER 3 4.709 -14.301 0.206 10 HA SER 3 HA SER 3 2.370 -15.748 0.942 11 HB2 SER 3 1HB SER 3 2.939 -13.432 -0.939 12 HB3 SER 3 2HB SER 3 1.357 -14.183 -0.889 13 HG SER 3 HG SER 3 2.282 -13.635 1.667 14 H GLY 4 H GLY 4 0.824 -16.458 -0.971 15 HA2 GLY 4 1HA GLY 4 2.460 -18.038 -2.857 16 HA3 GLY 4 2HA GLY 4 0.900 -18.509 -2.213 17 H SER 5 H SER 5 2.556 -16.930 -4.790 18 HA SER 5 HA SER 5 0.230 -16.691 -6.277 19 HB2 SER 5 1HB SER 5 0.288 -14.597 -4.571 20 HB3 SER 5 2HB SER 5 1.325 -13.930 -5.816 21 HG SER 5 HG SER 5 -1.185 -13.679 -5.909 22 H SER 6 H SER 6 1.324 -17.607 -8.012 23 HA SER 6 HA SER 6 3.792 -16.268 -8.791 24 HB2 SER 6 1HB SER 6 2.786 -19.100 -9.285 25 HB3 SER 6 2HB SER 6 4.166 -18.433 -10.134 26 HG SER 6 HG SER 6 4.892 -19.583 -8.283 27 H GLY 7 H GLY 7 4.101 -15.729 -11.060 28 HA2 GLY 7 1HA GLY 7 1.815 -16.087 -12.842 29 HA3 GLY 7 2HA GLY 7 2.236 -14.442 -12.410 30 HA PRO 8 HA PRO 8 4.942 -15.960 -15.845 31 HB2 PRO 8 1HB PRO 8 3.770 -14.757 -18.001 32 HB3 PRO 8 2HB PRO 8 3.483 -16.429 -17.563 33 HG2 PRO 8 1HG PRO 8 1.713 -14.089 -17.204 34 HG3 PRO 8 2HG PRO 8 1.301 -15.792 -17.175 35 HD2 PRO 8 1HD PRO 8 1.579 -14.055 -14.910 36 HD3 PRO 8 2HD PRO 8 1.282 -15.781 -14.876 37 H GLN 9 H GLN 9 6.513 -14.768 -17.168 38 HA GLN 9 HA GLN 9 6.395 -11.955 -16.932 39 HB2 GLN 9 1HB GLN 9 7.629 -13.397 -14.770 40 HB3 GLN 9 2HB GLN 9 8.904 -12.590 -15.660 41 HG2 GLN 9 1HG GLN 9 7.292 -10.494 -15.584 42 HG3 GLN 9 2HG GLN 9 6.494 -11.360 -14.286 43 HE21 GLN 9 1HE2 GLN 9 9.229 -9.550 -15.280 44 HE22 GLN 9 2HE2 GLN 9 10.087 -9.496 -13.777 45 H LEU 10 H LEU 10 8.577 -10.972 -17.804 46 HA LEU 10 HA LEU 10 9.232 -12.510 -20.149 47 HB2 LEU 10 1HB LEU 10 9.468 -9.712 -19.234 48 HB3 LEU 10 2HB LEU 10 10.746 -10.267 -20.297 49 HG LEU 10 HG LEU 10 8.544 -11.155 -21.648 50 HD11 LEU 10 1HD1 LEU 10 7.742 -8.644 -20.168 51 HD12 LEU 10 2HD1 LEU 10 6.978 -9.169 -21.688 52 HD13 LEU 10 3HD1 LEU 10 6.892 -10.206 -20.243 53 HD21 LEU 10 1HD2 LEU 10 8.867 -8.727 -22.794 54 HD22 LEU 10 2HD2 LEU 10 10.362 -8.827 -21.834 55 HD23 LEU 10 3HD2 LEU 10 9.982 -10.096 -23.023 56 H VAL 11 H VAL 11 11.471 -12.959 -20.814 57 HA VAL 11 HA VAL 11 13.047 -13.705 -18.473 58 HB VAL 11 HB VAL 11 12.353 -15.382 -20.193 59 HG11 VAL 11 1HG1 VAL 11 14.478 -14.645 -22.077 60 HG12 VAL 11 2HG1 VAL 11 12.807 -15.178 -22.382 61 HG13 VAL 11 3HG1 VAL 11 13.144 -13.467 -22.024 62 HG21 VAL 11 1HG2 VAL 11 14.066 -16.431 -19.210 63 HG22 VAL 11 2HG2 VAL 11 15.076 -15.881 -20.568 64 HG23 VAL 11 3HG2 VAL 11 15.001 -14.923 -19.070 65 H ARG 12 H ARG 12 15.220 -13.057 -18.205 66 HA ARG 12 HA ARG 12 16.804 -11.577 -18.201 67 HB2 ARG 12 1HB ARG 12 17.153 -12.931 -20.437 68 HB3 ARG 12 2HB ARG 12 16.661 -11.452 -21.239 69 HG2 ARG 12 1HG ARG 12 18.481 -10.202 -20.076 70 HG3 ARG 12 2HG ARG 12 18.962 -11.664 -19.239 71 HD2 ARG 12 1HD ARG 12 20.222 -12.317 -21.012 72 HD3 ARG 12 2HD ARG 12 18.828 -12.249 -22.073 73 HE ARG 12 HE ARG 12 19.678 -9.571 -21.625 74 HH11 ARG 12 2HH2 ARG 12 20.864 -12.503 -23.169 75 HH12 ARG 12 1HH2 ARG 12 21.826 -11.654 -24.333 76 HH21 ARG 12 2HH1 ARG 12 20.947 -8.450 -23.160 77 HH22 ARG 12 1HH1 ARG 12 21.874 -9.333 -24.327 78 H THR 13 H THR 13 15.869 -9.699 -17.285 79 HA THR 13 HA THR 13 15.197 -7.608 -19.223 80 HB THR 13 HB THR 13 13.094 -8.779 -18.336 81 HG1 THR 13 1HG THR 13 12.252 -6.577 -17.703 82 HG21 THR 13 1HG2 THR 13 12.806 -7.413 -15.895 83 HG22 THR 13 2HG2 THR 13 13.029 -9.170 -16.076 84 HG23 THR 13 3HG2 THR 13 14.437 -8.120 -15.787 85 H HIS 14 H HIS 14 15.084 -5.402 -18.068 86 HA HIS 14 HA HIS 14 17.033 -5.389 -15.889 87 HB2 HIS 14 1HB HIS 14 17.628 -4.647 -18.494 88 HB3 HIS 14 2HB HIS 14 17.257 -3.116 -17.727 89 HD1 HIS 14 1HD HIS 14 19.509 -6.159 -17.137 90 HD2 HIS 14 2HD HIS 14 19.326 -2.059 -16.269 91 HE1 HIS 14 1HE HIS 14 21.722 -5.567 -16.013 92 H GLU 15 H GLU 15 16.979 -3.298 -14.628 93 HA GLU 15 HA GLU 15 14.916 -1.487 -15.002 94 HB2 GLU 15 1HB GLU 15 14.216 -3.928 -13.462 95 HB3 GLU 15 2HB GLU 15 13.832 -2.430 -12.638 96 HG2 GLU 15 1HG GLU 15 13.010 -2.004 -15.317 97 HG3 GLU 15 2HG GLU 15 12.525 -3.651 -14.962 98 H ASP 16 H ASP 16 15.587 0.346 -13.953 99 HA ASP 16 HA ASP 16 17.843 0.165 -12.289 100 HB2 ASP 16 1HB ASP 16 17.007 2.091 -13.885 101 HB3 ASP 16 2HB ASP 16 16.043 2.602 -12.514 102 H VAL 17 H VAL 17 14.488 1.521 -11.773 103 HA VAL 17 HA VAL 17 14.566 1.993 -9.122 104 HB VAL 17 HB VAL 17 12.076 1.229 -9.242 105 HG11 VAL 17 1HG1 VAL 17 11.622 3.295 -10.762 106 HG12 VAL 17 2HG1 VAL 17 12.466 3.525 -9.212 107 HG13 VAL 17 3HG1 VAL 17 13.391 3.494 -10.732 108 HG21 VAL 17 1HG2 VAL 17 12.674 -0.148 -11.378 109 HG22 VAL 17 2HG2 VAL 17 11.142 0.755 -11.317 110 HG23 VAL 17 3HG2 VAL 17 12.530 1.418 -12.213 111 HA PRO 18 HA PRO 18 14.777 -1.776 -7.019 112 HB2 PRO 18 1HB PRO 18 13.133 -1.446 -4.861 113 HB3 PRO 18 2HB PRO 18 14.745 -0.764 -4.951 114 HG2 PRO 18 1HG PRO 18 12.137 0.598 -5.239 115 HG3 PRO 18 2HG PRO 18 13.709 1.296 -4.904 116 HD2 PRO 18 1HD PRO 18 12.318 1.324 -7.412 117 HD3 PRO 18 2HD PRO 18 13.938 1.919 -7.105 118 H GLY 19 H GLY 19 13.468 -3.633 -5.842 119 HA2 GLY 19 1HA GLY 19 11.444 -4.355 -7.842 120 HA3 GLY 19 2HA GLY 19 12.304 -5.440 -6.766 121 HA PRO 20 HA PRO 20 8.327 -4.872 -4.771 122 HB2 PRO 20 1HB PRO 20 7.973 -7.475 -4.016 123 HB3 PRO 20 2HB PRO 20 7.371 -6.825 -5.528 124 HG2 PRO 20 1HG PRO 20 9.697 -8.589 -5.065 125 HG3 PRO 20 2HG PRO 20 8.835 -8.278 -6.559 126 HD2 PRO 20 1HD PRO 20 11.382 -7.205 -5.792 127 HD3 PRO 20 2HD PRO 20 10.466 -6.805 -7.232 128 H VAL 21 H VAL 21 8.059 -4.059 -2.786 129 HA VAL 21 HA VAL 21 10.191 -4.073 -1.030 130 HB VAL 21 HB VAL 21 8.381 -3.386 0.637 131 HG11 VAL 21 1HG1 VAL 21 8.238 -1.191 -0.281 132 HG12 VAL 21 2HG1 VAL 21 9.798 -1.864 -0.813 133 HG13 VAL 21 3HG1 VAL 21 8.425 -1.798 -1.944 134 HG21 VAL 21 1HG2 VAL 21 6.228 -3.681 0.142 135 HG22 VAL 21 2HG2 VAL 21 6.414 -2.742 -1.358 136 HG23 VAL 21 3HG2 VAL 21 6.706 -4.498 -1.366 137 H GLY 22 H GLY 22 9.276 -4.799 1.506 138 HA2 GLY 22 1HA GLY 22 9.941 -7.501 1.630 139 HA3 GLY 22 2HA GLY 22 9.190 -6.557 2.901 140 H HIS 23 H HIS 23 7.557 -7.870 3.667 141 HA HIS 23 HA HIS 23 5.748 -8.968 1.643 142 HB2 HIS 23 1HB HIS 23 5.420 -10.821 2.938 143 HB3 HIS 23 2HB HIS 23 7.083 -10.450 3.344 144 HD1 HIS 23 1HD HIS 23 3.899 -11.177 4.890 145 HD2 HIS 23 2HD HIS 23 7.221 -8.817 5.886 146 HE1 HIS 23 1HE HIS 23 3.743 -10.745 7.400 147 H LEU 24 H LEU 24 3.791 -8.007 1.454 148 HA LEU 24 HA LEU 24 3.049 -5.817 2.941 149 HB2 LEU 24 1HB LEU 24 1.877 -7.566 0.925 150 HB3 LEU 24 2HB LEU 24 0.676 -6.918 2.025 151 HG LEU 24 HG LEU 24 1.110 -5.606 -0.100 152 HD11 LEU 24 1HD1 LEU 24 0.058 -4.006 1.014 153 HD12 LEU 24 2HD1 LEU 24 0.568 -4.742 2.552 154 HD13 LEU 24 3HD1 LEU 24 1.587 -3.506 1.776 155 HD21 LEU 24 1HD2 LEU 24 3.406 -4.216 1.115 156 HD22 LEU 24 2HD2 LEU 24 3.747 -5.863 0.534 157 HD23 LEU 24 3HD2 LEU 24 3.080 -4.646 -0.581 158 H SER 25 H SER 25 1.811 -5.450 4.780 159 HA SER 25 HA SER 25 0.720 -7.790 6.078 160 HB2 SER 25 1HB SER 25 3.052 -7.448 6.970 161 HB3 SER 25 2HB SER 25 2.590 -5.842 7.499 162 HG SER 25 HG SER 25 2.209 -7.019 9.309 163 H PHE 26 H PHE 26 -1.080 -7.293 7.462 164 HA PHE 26 HA PHE 26 -1.798 -4.455 7.558 165 HB2 PHE 26 1HB PHE 26 -3.536 -6.908 6.891 166 HB3 PHE 26 2HB PHE 26 -4.171 -5.286 7.082 167 HD1 PHE 26 1HD PHE 26 -2.000 -3.774 5.631 168 HD2 PHE 26 2HD PHE 26 -4.071 -7.345 4.649 169 HE1 PHE 26 1HE PHE 26 -1.604 -3.332 3.193 170 HE2 PHE 26 2HE PHE 26 -3.675 -6.903 2.210 171 HZ PHE 26 HZ PHE 26 -2.447 -4.902 1.511 172 H SER 27 H SER 27 -2.970 -3.799 9.418 173 HA SER 27 HA SER 27 -3.803 -5.798 11.268 174 HB2 SER 27 1HB SER 27 -2.362 -4.580 13.121 175 HB3 SER 27 2HB SER 27 -1.652 -5.858 12.156 176 HG SER 27 HG SER 27 -1.220 -3.697 10.704 177 H GLU 28 H GLU 28 -4.552 -4.520 13.433 178 HA GLU 28 HA GLU 28 -6.215 -3.237 14.091 179 HB2 GLU 28 1HB GLU 28 -4.061 -1.305 13.192 180 HB3 GLU 28 2HB GLU 28 -5.537 -0.697 13.916 181 HG2 GLU 28 1HG GLU 28 -3.632 -2.720 15.188 182 HG3 GLU 28 2HG GLU 28 -3.772 -1.030 15.631 183 H ILE 29 H ILE 29 -7.082 -4.266 11.741 184 HA ILE 29 HA ILE 29 -7.773 -2.159 9.910 185 HB ILE 29 HB ILE 29 -8.686 -5.035 9.978 186 HG12 ILE 29 1HG1 ILE 29 -6.167 -3.775 8.905 187 HG13 ILE 29 2HG1 ILE 29 -6.342 -5.191 9.922 188 HG21 ILE 29 1HG2 ILE 29 -9.850 -4.584 8.146 189 HG22 ILE 29 2HG2 ILE 29 -9.485 -2.857 8.379 190 HG23 ILE 29 3HG2 ILE 29 -8.424 -3.862 7.363 191 HD11 ILE 29 1HD1 ILE 29 -7.806 -6.004 7.761 192 HD12 ILE 29 2HD1 ILE 29 -6.632 -4.931 6.964 193 HD13 ILE 29 3HD1 ILE 29 -6.061 -6.309 7.935 194 H LEU 30 H LEU 30 -9.761 -1.145 9.676 195 HA LEU 30 HA LEU 30 -11.651 -1.707 11.850 196 HB2 LEU 30 1HB LEU 30 -11.030 0.829 10.338 197 HB3 LEU 30 2HB LEU 30 -12.425 0.647 11.384 198 HG LEU 30 HG LEU 30 -10.728 1.787 12.608 199 HD11 LEU 30 1HD1 LEU 30 -10.659 0.528 14.565 200 HD12 LEU 30 2HD1 LEU 30 -12.065 -0.132 13.696 201 HD13 LEU 30 3HD1 LEU 30 -10.520 -1.015 13.689 202 HD21 LEU 30 1HD2 LEU 30 -8.910 0.496 11.051 203 HD22 LEU 30 2HD2 LEU 30 -8.515 1.412 12.526 204 HD23 LEU 30 3HD2 LEU 30 -8.702 -0.357 12.600 205 H ASP 31 H ASP 31 -13.099 0.373 9.689 206 HA ASP 31 HA ASP 31 -14.344 -1.891 8.341 207 HB2 ASP 31 1HB ASP 31 -16.287 -0.203 8.050 208 HB3 ASP 31 2HB ASP 31 -16.025 -0.855 9.656 209 H THR 32 H THR 32 -12.929 1.390 8.117 210 HA THR 32 HA THR 32 -12.725 1.052 5.219 211 HB THR 32 HB THR 32 -13.448 3.480 4.985 212 HG1 THR 32 1HG THR 32 -14.402 4.362 6.945 213 HG21 THR 32 1HG2 THR 32 -15.811 3.092 5.166 214 HG22 THR 32 2HG2 THR 32 -15.128 1.483 4.832 215 HG23 THR 32 3HG2 THR 32 -15.595 1.925 6.492 216 H SER 33 H SER 33 -10.955 0.815 7.699 217 HA SER 33 HA SER 33 -8.817 2.290 6.516 218 HB2 SER 33 1HB SER 33 -8.181 3.275 8.823 219 HB3 SER 33 2HB SER 33 -9.461 4.071 7.931 220 HG SER 33 HG SER 33 -10.297 3.839 9.977 221 H LEU 34 H LEU 34 -6.769 1.344 7.029 222 HA LEU 34 HA LEU 34 -6.656 -0.627 9.128 223 HB2 LEU 34 1HB LEU 34 -5.830 -2.381 7.519 224 HB3 LEU 34 2HB LEU 34 -7.557 -2.080 7.556 225 HG LEU 34 HG LEU 34 -6.986 -0.459 5.532 226 HD11 LEU 34 1HD1 LEU 34 -5.194 -1.301 4.121 227 HD12 LEU 34 2HD1 LEU 34 -4.553 -0.772 5.696 228 HD13 LEU 34 3HD1 LEU 34 -4.759 -2.507 5.355 229 HD21 LEU 34 1HD2 LEU 34 -8.338 -2.722 5.740 230 HD22 LEU 34 2HD2 LEU 34 -7.932 -2.019 4.156 231 HD23 LEU 34 3HD2 LEU 34 -6.959 -3.358 4.810 232 H LYS 35 H LYS 35 -4.402 -1.372 9.490 233 HA LYS 35 HA LYS 35 -2.580 0.770 8.734 234 HB2 LYS 35 1HB LYS 35 -2.873 0.225 11.123 235 HB3 LYS 35 2HB LYS 35 -2.325 -1.413 10.825 236 HG2 LYS 35 1HG LYS 35 -0.467 0.610 9.734 237 HG3 LYS 35 2HG LYS 35 -0.697 0.780 11.463 238 HD2 LYS 35 1HD LYS 35 0.198 -1.334 11.941 239 HD3 LYS 35 2HD LYS 35 -0.250 -1.999 10.382 240 HE2 LYS 35 1HE LYS 35 1.654 -1.195 9.326 241 HE3 LYS 35 2HE LYS 35 1.729 0.251 10.314 242 HZ1 LYS 35 1HZ LYS 35 2.328 -2.423 11.363 243 HZ2 LYS 35 2HZ LYS 35 3.470 -1.423 10.761 244 HZ3 LYS 35 3HZ LYS 35 2.621 -0.988 12.086 245 H VAL 36 H VAL 36 -1.021 0.520 7.218 246 HA VAL 36 HA VAL 36 -0.625 -2.207 6.217 247 HB VAL 36 HB VAL 36 -0.206 0.499 4.933 248 HG11 VAL 36 1HG1 VAL 36 1.387 -1.485 4.317 249 HG12 VAL 36 2HG1 VAL 36 -0.035 -2.115 3.452 250 HG13 VAL 36 3HG1 VAL 36 0.633 -0.521 3.025 251 HG21 VAL 36 1HG2 VAL 36 -2.235 0.300 3.969 252 HG22 VAL 36 2HG2 VAL 36 -2.058 -1.453 3.716 253 HG23 VAL 36 3HG2 VAL 36 -2.569 -0.829 5.303 254 H SER 37 H SER 37 1.458 -3.083 6.051 255 HA SER 37 HA SER 37 3.637 -1.385 6.880 256 HB2 SER 37 1HB SER 37 4.225 -3.685 8.302 257 HB3 SER 37 2HB SER 37 3.585 -2.208 8.995 258 HG SER 37 HG SER 37 1.423 -3.408 8.110 259 H TRP 38 H TRP 38 5.657 -2.058 5.996 260 HA TRP 38 HA TRP 38 5.719 -4.620 4.620 261 HB2 TRP 38 1HB TRP 38 6.539 -3.569 2.542 262 HB3 TRP 38 2HB TRP 38 4.851 -3.248 2.887 263 HD1 TRP 38 HD TRP 38 8.240 -1.430 2.694 264 HE1 TRP 38 1HE TRP 38 7.921 1.188 2.615 265 HE3 TRP 38 3HE TRP 38 3.241 -1.485 3.621 266 HZ2 TRP 38 2HZ TRP 38 5.664 2.904 2.942 267 HZ3 TRP 38 3HZ TRP 38 2.055 0.705 3.725 268 HH2 TRP 38 HH TRP 38 3.185 2.849 3.404 269 H GLN 39 H GLN 39 8.168 -4.464 3.420 270 HA GLN 39 HA GLN 39 9.916 -3.337 5.454 271 HB2 GLN 39 1HB GLN 39 9.511 -6.165 4.827 272 HB3 GLN 39 2HB GLN 39 11.181 -5.705 4.560 273 HG2 GLN 39 1HG GLN 39 10.539 -4.429 6.980 274 HG3 GLN 39 2HG GLN 39 9.692 -5.958 7.095 275 HE21 GLN 39 1HE2 GLN 39 10.952 -6.930 8.574 276 HE22 GLN 39 2HE2 GLN 39 12.607 -7.382 8.336 277 H GLU 40 H GLU 40 12.384 -3.748 4.503 278 HA GLU 40 HA GLU 40 12.331 -2.252 2.080 279 HB2 GLU 40 1HB GLU 40 14.215 -2.792 4.239 280 HB3 GLU 40 2HB GLU 40 15.004 -3.002 2.689 281 HG2 GLU 40 1HG GLU 40 14.458 -0.761 1.985 282 HG3 GLU 40 2HG GLU 40 13.289 -0.555 3.275 283 HA PRO 41 HA PRO 41 12.854 -5.698 -0.527 284 HB2 PRO 41 1HB PRO 41 13.426 -4.400 -2.863 285 HB3 PRO 41 2HB PRO 41 11.794 -4.626 -2.267 286 HG2 PRO 41 1HG PRO 41 13.446 -2.175 -2.263 287 HG3 PRO 41 2HG PRO 41 11.710 -2.329 -2.076 288 HD2 PRO 41 1HD PRO 41 13.622 -1.833 0.003 289 HD3 PRO 41 2HD PRO 41 11.902 -2.103 0.204 290 H GLY 42 H GLY 42 14.368 -7.080 -1.521 291 HA2 GLY 42 1HA GLY 42 17.039 -6.514 -0.584 292 HA3 GLY 42 2HA GLY 42 16.463 -7.964 -1.381 293 H GLU 43 H GLU 43 15.245 -5.586 -3.324 294 HA GLU 43 HA GLU 43 17.690 -5.538 -4.916 295 HB2 GLU 43 1HB GLU 43 15.654 -5.111 -6.736 296 HB3 GLU 43 2HB GLU 43 16.427 -6.655 -6.436 297 HG2 GLU 43 1HG GLU 43 14.692 -7.046 -4.581 298 HG3 GLU 43 2HG GLU 43 13.862 -5.612 -5.153 299 H LYS 44 H LYS 44 17.384 -3.578 -2.976 300 HA LYS 44 HA LYS 44 15.922 -1.367 -3.469 301 HB2 LYS 44 1HB LYS 44 18.780 -1.603 -2.496 302 HB3 LYS 44 2HB LYS 44 17.872 -0.105 -2.457 303 HG2 LYS 44 1HG LYS 44 16.036 -1.447 -1.187 304 HG3 LYS 44 2HG LYS 44 17.246 -2.700 -0.992 305 HD2 LYS 44 1HD LYS 44 18.787 -0.866 -0.010 306 HD3 LYS 44 2HD LYS 44 17.372 0.167 0.035 307 HE2 LYS 44 1HE LYS 44 16.726 -0.791 1.986 308 HE3 LYS 44 2HE LYS 44 16.592 -2.344 1.186 309 HZ1 LYS 44 1HZ LYS 44 18.870 -1.240 2.626 310 HZ2 LYS 44 2HZ LYS 44 18.173 -2.709 2.775 311 HZ3 LYS 44 3HZ LYS 44 19.120 -2.382 1.485 312 H ASN 45 H ASN 45 18.795 -2.525 -5.256 313 HA ASN 45 HA ASN 45 19.878 -1.685 -6.968 314 HB2 ASN 45 1HB ASN 45 16.954 -1.346 -7.775 315 HB3 ASN 45 2HB ASN 45 18.247 -1.010 -8.910 316 HD21 ASN 45 1HD2 ASN 45 16.210 -3.325 -7.649 317 HD22 ASN 45 2HD2 ASN 45 16.981 -4.770 -8.212 318 H GLY 46 H GLY 46 19.739 0.270 -4.906 319 HA2 GLY 46 1HA GLY 46 20.652 2.545 -5.691 320 HA3 GLY 46 2HA GLY 46 19.010 2.783 -6.256 321 H ILE 47 H ILE 47 19.789 4.621 -4.466 322 HA ILE 47 HA ILE 47 19.230 3.730 -1.785 323 HB ILE 47 HB ILE 47 19.953 6.372 -3.032 324 HG12 ILE 47 1HG1 ILE 47 21.825 4.917 -2.883 325 HG13 ILE 47 2HG1 ILE 47 21.975 6.077 -1.578 326 HG21 ILE 47 1HG2 ILE 47 18.896 5.786 -0.297 327 HG22 ILE 47 2HG2 ILE 47 20.195 6.990 -0.478 328 HG23 ILE 47 3HG2 ILE 47 18.654 7.207 -1.343 329 HD11 ILE 47 1HD1 ILE 47 20.651 4.230 -0.182 330 HD12 ILE 47 2HD1 ILE 47 21.280 3.144 -1.445 331 HD13 ILE 47 3HD1 ILE 47 22.407 4.085 -0.438 332 H LEU 48 H LEU 48 17.209 3.450 -1.026 333 HA LEU 48 HA LEU 48 14.959 4.233 -2.499 334 HB2 LEU 48 1HB LEU 48 15.095 3.482 0.421 335 HB3 LEU 48 2HB LEU 48 13.693 3.408 -0.628 336 HG LEU 48 HG LEU 48 16.195 1.721 -0.917 337 HD11 LEU 48 1HD1 LEU 48 14.823 1.191 1.085 338 HD12 LEU 48 2HD1 LEU 48 13.435 0.889 0.012 339 HD13 LEU 48 3HD1 LEU 48 14.889 -0.131 -0.106 340 HD21 LEU 48 1HD2 LEU 48 14.729 0.418 -2.523 341 HD22 LEU 48 2HD2 LEU 48 13.633 1.821 -2.516 342 HD23 LEU 48 3HD2 LEU 48 15.309 2.004 -3.088 343 H THR 49 H THR 49 13.919 6.148 -2.658 344 HA THR 49 HA THR 49 14.753 8.258 -0.806 345 HB THR 49 HB THR 49 13.796 9.733 -2.603 346 HG1 THR 49 1HG THR 49 12.177 8.148 -3.298 347 HG21 THR 49 1HG2 THR 49 15.218 8.726 -4.594 348 HG22 THR 49 2HG2 THR 49 16.073 9.298 -3.141 349 HG23 THR 49 3HG2 THR 49 15.778 7.558 -3.373 350 H GLY 50 H GLY 50 12.210 6.009 -1.331 351 HA2 GLY 50 1HA GLY 50 10.747 6.702 0.873 352 HA3 GLY 50 2HA GLY 50 10.054 7.662 -0.419 353 H TYR 51 H TYR 51 8.094 6.272 0.091 354 HA TYR 51 HA TYR 51 8.168 3.929 -1.651 355 HB2 TYR 51 1HB TYR 51 7.250 4.195 1.273 356 HB3 TYR 51 2HB TYR 51 6.680 2.882 0.263 357 HD1 TYR 51 2HD TYR 51 8.372 1.234 -0.684 358 HD2 TYR 51 1HD TYR 51 9.377 4.098 2.332 359 HE1 TYR 51 2HE TYR 51 10.435 -0.120 -0.075 360 HE2 TYR 51 1HE TYR 51 11.437 2.733 2.931 361 HH TYR 51 HH TYR 51 12.752 1.092 2.298 362 H ARG 52 H ARG 52 6.191 3.494 -2.704 363 HA ARG 52 HA ARG 52 4.245 5.620 -2.319 364 HB2 ARG 52 1HB ARG 52 5.217 5.575 -4.583 365 HB3 ARG 52 2HB ARG 52 4.858 3.868 -4.750 366 HG2 ARG 52 1HG ARG 52 2.553 4.229 -5.025 367 HG3 ARG 52 2HG ARG 52 2.570 5.736 -4.130 368 HD2 ARG 52 1HD ARG 52 2.398 6.612 -6.271 369 HD3 ARG 52 2HD ARG 52 4.145 6.526 -6.169 370 HE ARG 52 HE ARG 52 3.057 4.022 -7.138 371 HH11 ARG 52 2HH2 ARG 52 3.806 7.312 -8.138 372 HH12 ARG 52 1HH2 ARG 52 4.006 6.895 -9.807 373 HH21 ARG 52 2HH1 ARG 52 3.321 3.472 -9.340 374 HH22 ARG 52 1HH1 ARG 52 3.728 4.696 -10.496 375 H ILE 53 H ILE 53 2.240 5.048 -1.512 376 HA ILE 53 HA ILE 53 1.574 2.187 -1.592 377 HB ILE 53 HB ILE 53 2.107 3.056 0.646 378 HG12 ILE 53 1HG1 ILE 53 -0.758 2.208 0.146 379 HG13 ILE 53 2HG1 ILE 53 0.617 1.166 0.452 380 HG21 ILE 53 1HG2 ILE 53 -0.405 4.649 0.751 381 HG22 ILE 53 2HG2 ILE 53 1.126 4.849 1.635 382 HG23 ILE 53 3HG2 ILE 53 1.001 5.380 -0.059 383 HD11 ILE 53 1HD1 ILE 53 0.338 3.202 2.550 384 HD12 ILE 53 2HD1 ILE 53 -1.132 2.212 2.381 385 HD13 ILE 53 3HD1 ILE 53 0.436 1.431 2.699 386 H SER 54 H SER 54 -0.576 1.592 -2.124 387 HA SER 54 HA SER 54 -2.396 3.707 -2.769 388 HB2 SER 54 1HB SER 54 -1.979 1.759 -5.011 389 HB3 SER 54 2HB SER 54 -2.509 3.428 -5.072 390 HG SER 54 HG SER 54 -0.275 4.055 -4.531 391 H TRP 55 H TRP 55 -4.253 2.993 -1.792 392 HA TRP 55 HA TRP 55 -4.696 0.099 -1.701 393 HB2 TRP 55 1HB TRP 55 -6.223 0.568 0.127 394 HB3 TRP 55 2HB TRP 55 -4.615 1.184 0.455 395 HD1 TRP 55 HD TRP 55 -8.104 2.547 -0.615 396 HE1 TRP 55 1HE TRP 55 -8.402 5.053 0.158 397 HE3 TRP 55 3HE TRP 55 -3.374 3.113 1.164 398 HZ2 TRP 55 2HZ TRP 55 -6.666 6.948 1.398 399 HZ3 TRP 55 3HZ TRP 55 -2.757 5.322 2.139 400 HH2 TRP 55 HH TRP 55 -4.314 7.201 2.273 401 H GLU 56 H GLU 56 -6.091 -0.710 -3.205 402 HA GLU 56 HA GLU 56 -8.281 1.030 -4.002 403 HB2 GLU 56 1HB GLU 56 -8.008 0.461 -6.340 404 HB3 GLU 56 2HB GLU 56 -6.468 1.055 -5.752 405 HG2 GLU 56 1HG GLU 56 -5.513 -1.135 -5.665 406 HG3 GLU 56 2HG GLU 56 -7.079 -1.920 -5.713 407 H GLU 57 H GLU 57 -10.271 -0.050 -4.410 408 HA GLU 57 HA GLU 57 -10.814 -2.237 -2.957 409 HB2 GLU 57 1HB GLU 57 -12.130 -0.721 -5.089 410 HB3 GLU 57 2HB GLU 57 -12.586 -2.412 -5.153 411 HG2 GLU 57 1HG GLU 57 -12.930 -2.184 -2.550 412 HG3 GLU 57 2HG GLU 57 -12.931 -0.458 -2.854 413 H TYR 58 H TYR 58 -11.787 -4.422 -3.983 414 HA TYR 58 HA TYR 58 -9.705 -5.985 -4.762 415 HB2 TYR 58 1HB TYR 58 -11.886 -6.844 -3.999 416 HB3 TYR 58 2HB TYR 58 -12.731 -6.005 -5.285 417 HD1 TYR 58 1HD TYR 58 -10.116 -8.657 -4.822 418 HD2 TYR 58 2HD TYR 58 -13.391 -7.210 -7.163 419 HE1 TYR 58 1HE TYR 58 -10.022 -10.751 -6.260 420 HE2 TYR 58 2HE TYR 58 -13.287 -9.309 -8.594 421 HH TYR 58 HH TYR 58 -11.877 -11.015 -9.182 422 H ASN 59 H ASN 59 -12.340 -4.876 -7.018 423 HA ASN 59 HA ASN 59 -10.283 -4.841 -9.081 424 HB2 ASN 59 1HB ASN 59 -12.181 -6.762 -9.054 425 HB3 ASN 59 2HB ASN 59 -13.156 -5.498 -9.777 426 HD21 ASN 59 1HD2 ASN 59 -10.836 -7.891 -10.268 427 HD22 ASN 59 2HD2 ASN 59 -10.393 -7.550 -11.907 428 H ARG 60 H ARG 60 -10.453 -2.465 -8.113 429 HA ARG 60 HA ARG 60 -12.103 -1.014 -9.916 430 HB2 ARG 60 1HB ARG 60 -12.520 -0.774 -6.895 431 HB3 ARG 60 2HB ARG 60 -13.118 0.406 -8.045 432 HG2 ARG 60 1HG ARG 60 -14.417 -1.417 -9.203 433 HG3 ARG 60 2HG ARG 60 -13.856 -2.560 -8.000 434 HD2 ARG 60 1HD ARG 60 -15.273 -1.751 -6.365 435 HD3 ARG 60 2HD ARG 60 -15.082 -0.084 -6.872 436 HE ARG 60 HE ARG 60 -16.931 -0.317 -8.301 437 HH11 ARG 60 2HH2 ARG 60 -15.843 -3.498 -7.261 438 HH12 ARG 60 1HH2 ARG 60 -17.210 -4.325 -7.931 439 HH21 ARG 60 2HH1 ARG 60 -18.735 -1.408 -9.184 440 HH22 ARG 60 1HH1 ARG 60 -18.865 -3.128 -9.032 441 H THR 61 H THR 61 -10.415 0.206 -10.751 442 HA THR 61 HA THR 61 -8.267 1.081 -9.055 443 HB THR 61 HB THR 61 -9.013 1.481 -11.996 444 HG1 THR 61 1HG THR 61 -8.325 -0.660 -11.255 445 HG21 THR 61 1HG2 THR 61 -7.519 3.285 -11.713 446 HG22 THR 61 2HG2 THR 61 -6.707 2.518 -10.327 447 HG23 THR 61 3HG2 THR 61 -6.377 1.946 -11.980 448 H ASN 62 H ASN 62 -11.247 2.473 -10.431 449 HA ASN 62 HA ASN 62 -10.727 5.096 -10.215 450 HB2 ASN 62 1HB ASN 62 -12.994 3.540 -10.599 451 HB3 ASN 62 2HB ASN 62 -13.363 4.286 -9.057 452 HD21 ASN 62 1HD2 ASN 62 -14.656 5.926 -9.354 453 HD22 ASN 62 2HD2 ASN 62 -14.521 7.170 -10.551 454 H THR 63 H THR 63 -11.274 2.675 -7.653 455 HA THR 63 HA THR 63 -11.394 4.746 -5.597 456 HB THR 63 HB THR 63 -11.747 2.559 -4.187 457 HG1 THR 63 1HG THR 63 -12.638 0.961 -5.970 458 HG21 THR 63 1HG2 THR 63 -13.777 3.743 -4.599 459 HG22 THR 63 2HG2 THR 63 -13.627 3.556 -6.363 460 HG23 THR 63 3HG2 THR 63 -14.077 2.160 -5.355 461 H ARG 64 H ARG 64 -8.952 4.395 -7.222 462 HA ARG 64 HA ARG 64 -7.201 3.181 -5.273 463 HB2 ARG 64 1HB ARG 64 -6.874 2.586 -7.665 464 HB3 ARG 64 2HB ARG 64 -6.665 4.276 -8.081 465 HG2 ARG 64 1HG ARG 64 -4.443 4.025 -7.700 466 HG3 ARG 64 2HG ARG 64 -4.808 3.846 -5.995 467 HD2 ARG 64 1HD ARG 64 -4.498 1.562 -6.029 468 HD3 ARG 64 2HD ARG 64 -5.265 1.375 -7.594 469 HE ARG 64 HE ARG 64 -2.409 1.872 -7.087 470 HH11 ARG 64 2HH2 ARG 64 -5.000 1.923 -9.467 471 HH12 ARG 64 1HH2 ARG 64 -3.927 1.831 -10.825 472 HH21 ARG 64 2HH1 ARG 64 -0.994 1.750 -8.877 473 HH22 ARG 64 1HH1 ARG 64 -1.633 1.732 -10.486 474 H VAL 65 H VAL 65 -5.605 4.378 -4.126 475 HA VAL 65 HA VAL 65 -5.780 7.290 -4.490 476 HB VAL 65 HB VAL 65 -6.811 6.360 -2.411 477 HG11 VAL 65 1HG1 VAL 65 -4.735 5.921 -0.688 478 HG12 VAL 65 2HG1 VAL 65 -5.676 4.639 -1.490 479 HG13 VAL 65 3HG1 VAL 65 -4.119 5.162 -2.176 480 HG21 VAL 65 1HG2 VAL 65 -4.398 8.154 -1.981 481 HG22 VAL 65 2HG2 VAL 65 -5.993 8.685 -2.567 482 HG23 VAL 65 3HG2 VAL 65 -5.823 8.025 -0.923 483 H THR 66 H THR 66 -3.747 8.474 -3.886 484 HA THR 66 HA THR 66 -1.371 6.785 -4.285 485 HB THR 66 HB THR 66 -2.022 9.466 -5.623 486 HG1 THR 66 1HG THR 66 -1.995 7.906 -7.494 487 HG21 THR 66 1HG2 THR 66 0.144 7.615 -6.574 488 HG22 THR 66 2HG2 THR 66 0.083 9.394 -6.609 489 HG23 THR 66 3HG2 THR 66 0.502 8.547 -5.101 490 H HIS 67 H HIS 67 0.209 7.061 -2.829 491 HA HIS 67 HA HIS 67 0.329 9.610 -1.447 492 HB2 HIS 67 1HB HIS 67 -0.221 6.952 -0.145 493 HB3 HIS 67 2HB HIS 67 0.656 8.197 0.723 494 HD1 HIS 67 1HD HIS 67 -1.079 10.635 -0.483 495 HD2 HIS 67 2HD HIS 67 -2.560 7.172 1.363 496 HE1 HIS 67 1HE HIS 67 -3.402 11.228 0.390 497 H TYR 68 H TYR 68 2.425 9.863 -0.247 498 HA TYR 68 HA TYR 68 4.483 8.040 -1.277 499 HB2 TYR 68 1HB TYR 68 4.496 11.117 -1.075 500 HB3 TYR 68 2HB TYR 68 5.830 10.153 -1.677 501 HD1 TYR 68 2HD TYR 68 4.139 8.183 -3.330 502 HD2 TYR 68 1HD TYR 68 4.106 12.449 -3.013 503 HE1 TYR 68 2HE TYR 68 3.197 8.358 -5.685 504 HE2 TYR 68 1HE TYR 68 3.164 12.610 -5.369 505 HH TYR 68 HH TYR 68 1.820 11.148 -6.872 506 H LEU 69 H LEU 69 5.953 7.387 0.239 507 HA LEU 69 HA LEU 69 5.977 8.910 2.752 508 HB2 LEU 69 1HB LEU 69 6.300 5.922 2.555 509 HB3 LEU 69 2HB LEU 69 6.103 6.899 3.997 510 HG LEU 69 HG LEU 69 3.936 6.745 1.902 511 HD11 LEU 69 1HD1 LEU 69 3.049 5.050 3.833 512 HD12 LEU 69 2HD1 LEU 69 3.823 4.539 2.314 513 HD13 LEU 69 3HD1 LEU 69 4.785 4.658 3.808 514 HD21 LEU 69 1HD2 LEU 69 3.746 8.550 3.523 515 HD22 LEU 69 2HD2 LEU 69 2.478 7.330 3.791 516 HD23 LEU 69 3HD2 LEU 69 3.897 7.389 4.864 517 HA PRO 70 HA PRO 70 10.267 8.968 2.299 518 HB2 PRO 70 1HB PRO 70 11.170 8.968 4.878 519 HB3 PRO 70 2HB PRO 70 10.536 10.396 4.085 520 HG2 PRO 70 1HG PRO 70 9.255 8.688 6.129 521 HG3 PRO 70 2HG PRO 70 8.837 10.319 5.644 522 HD2 PRO 70 1HD PRO 70 7.466 7.908 4.915 523 HD3 PRO 70 2HD PRO 70 7.120 9.526 4.337 524 H ASN 71 H ASN 71 12.472 7.957 3.032 525 HA ASN 71 HA ASN 71 12.013 5.170 2.582 526 HB2 ASN 71 1HB ASN 71 14.453 5.051 2.274 527 HB3 ASN 71 2HB ASN 71 13.848 6.452 1.412 528 HD21 ASN 71 1HD2 ASN 71 16.477 6.245 2.090 529 HD22 ASN 71 2HD2 ASN 71 16.904 7.406 3.303 530 H VAL 72 H VAL 72 11.395 6.684 5.233 531 HA VAL 72 HA VAL 72 13.104 5.053 6.983 532 HB VAL 72 HB VAL 72 12.767 6.731 8.687 533 HG11 VAL 72 1HG1 VAL 72 14.649 6.988 7.095 534 HG12 VAL 72 2HG1 VAL 72 13.629 8.041 6.086 535 HG13 VAL 72 3HG1 VAL 72 14.075 8.548 7.733 536 HG21 VAL 72 1HG2 VAL 72 11.623 8.856 7.072 537 HG22 VAL 72 2HG2 VAL 72 10.516 7.467 7.184 538 HG23 VAL 72 3HG2 VAL 72 11.123 8.243 8.666 539 H THR 73 H THR 73 9.898 5.795 5.801 540 HA THR 73 HA THR 73 8.730 4.182 7.967 541 HB THR 73 HB THR 73 7.645 6.337 6.094 542 HG1 THR 73 1HG THR 73 8.799 6.655 8.268 543 HG21 THR 73 1HG2 THR 73 6.071 4.711 8.153 544 HG22 THR 73 2HG2 THR 73 5.441 5.973 7.068 545 HG23 THR 73 3HG2 THR 73 5.970 4.410 6.401 546 H LEU 74 H LEU 74 7.564 2.332 7.548 547 HA LEU 74 HA LEU 74 7.414 1.550 4.730 548 HB2 LEU 74 1HB LEU 74 8.189 -0.451 6.817 549 HB3 LEU 74 2HB LEU 74 8.382 -0.523 5.076 550 HG LEU 74 HG LEU 74 9.896 1.613 6.497 551 HD11 LEU 74 1HD1 LEU 74 11.653 0.140 7.241 552 HD12 LEU 74 2HD1 LEU 74 10.119 -0.346 8.002 553 HD13 LEU 74 3HD1 LEU 74 10.772 -1.284 6.637 554 HD21 LEU 74 1HD2 LEU 74 11.007 1.677 4.576 555 HD22 LEU 74 2HD2 LEU 74 11.385 -0.059 4.670 556 HD23 LEU 74 3HD2 LEU 74 9.858 0.480 3.931 557 H GLU 75 H GLU 75 5.706 2.496 7.286 558 HA GLU 75 HA GLU 75 3.589 0.619 6.648 559 HB2 GLU 75 1HB GLU 75 3.067 0.113 8.881 560 HB3 GLU 75 2HB GLU 75 4.819 0.092 8.892 561 HG2 GLU 75 1HG GLU 75 4.296 2.769 9.405 562 HG3 GLU 75 2HG GLU 75 2.942 1.992 10.201 563 H TYR 76 H TYR 76 1.420 1.516 6.913 564 HA TYR 76 HA TYR 76 1.147 4.236 7.771 565 HB2 TYR 76 1HB TYR 76 2.036 4.564 5.479 566 HB3 TYR 76 2HB TYR 76 1.010 3.292 4.847 567 HD1 TYR 76 2HD TYR 76 -1.467 3.676 4.643 568 HD2 TYR 76 1HD TYR 76 1.243 6.815 5.694 569 HE1 TYR 76 2HE TYR 76 -3.226 5.409 4.036 570 HE2 TYR 76 1HE TYR 76 -0.525 8.537 5.084 571 HH TYR 76 HH TYR 76 -2.709 8.317 3.296 572 H ARG 77 H ARG 77 -1.072 4.854 8.021 573 HA ARG 77 HA ARG 77 -2.797 2.536 7.975 574 HB2 ARG 77 1HB ARG 77 -2.403 4.109 10.046 575 HB3 ARG 77 2HB ARG 77 -3.467 5.232 9.224 576 HG2 ARG 77 1HG ARG 77 -4.728 2.652 9.113 577 HG3 ARG 77 2HG ARG 77 -4.166 2.874 10.758 578 HD2 ARG 77 1HD ARG 77 -5.292 5.382 9.967 579 HD3 ARG 77 2HD ARG 77 -6.411 4.153 9.411 580 HE ARG 77 HE ARG 77 -5.774 3.360 12.007 581 HH11 ARG 77 2HH2 ARG 77 -7.084 6.282 10.548 582 HH12 ARG 77 1HH2 ARG 77 -7.997 6.726 11.951 583 HH21 ARG 77 2HH1 ARG 77 -6.979 3.945 13.858 584 HH22 ARG 77 1HH1 ARG 77 -7.937 5.388 13.847 585 H VAL 78 H VAL 78 -4.625 2.423 6.645 586 HA VAL 78 HA VAL 78 -4.992 4.690 4.835 587 HB VAL 78 HB VAL 78 -4.915 3.051 3.350 588 HG11 VAL 78 1HG1 VAL 78 -4.817 0.692 3.874 589 HG12 VAL 78 2HG1 VAL 78 -3.871 1.592 5.083 590 HG13 VAL 78 3HG1 VAL 78 -5.492 0.982 5.496 591 HG21 VAL 78 1HG2 VAL 78 -7.481 1.941 4.513 592 HG22 VAL 78 2HG2 VAL 78 -7.414 3.463 3.593 593 HG23 VAL 78 3HG2 VAL 78 -6.941 1.932 2.817 594 H THR 79 H THR 79 -7.162 5.468 4.364 595 HA THR 79 HA THR 79 -9.307 4.593 6.078 596 HB THR 79 HB THR 79 -9.548 6.758 7.228 597 HG1 THR 79 1HG THR 79 -8.655 8.349 5.956 598 HG21 THR 79 1HG2 THR 79 -7.488 6.863 8.563 599 HG22 THR 79 2HG2 THR 79 -7.852 5.150 8.242 600 HG23 THR 79 3HG2 THR 79 -6.587 5.982 7.306 601 H GLY 80 H GLY 80 -11.315 5.045 5.237 602 HA2 GLY 80 1HA GLY 80 -12.669 6.523 3.881 603 HA3 GLY 80 2HA GLY 80 -11.319 6.687 2.776 604 H LEU 81 H LEU 81 -11.032 3.536 3.695 605 HA LEU 81 HA LEU 81 -11.901 2.513 1.268 606 HB2 LEU 81 1HB LEU 81 -11.505 1.030 3.869 607 HB3 LEU 81 2HB LEU 81 -11.496 0.341 2.258 608 HG LEU 81 HG LEU 81 -9.493 2.402 3.213 609 HD11 LEU 81 1HD1 LEU 81 -7.959 0.289 3.162 610 HD12 LEU 81 2HD1 LEU 81 -8.965 0.629 4.591 611 HD13 LEU 81 3HD1 LEU 81 -9.486 -0.592 3.406 612 HD21 LEU 81 1HD2 LEU 81 -9.330 2.552 0.944 613 HD22 LEU 81 2HD2 LEU 81 -8.232 1.179 1.223 614 HD23 LEU 81 3HD2 LEU 81 -9.900 0.887 0.675 615 H THR 82 H THR 82 -13.402 0.167 2.005 616 HA THR 82 HA THR 82 -15.962 1.404 2.778 617 HB THR 82 HB THR 82 -15.496 -0.768 0.670 618 HG1 THR 82 1HG THR 82 -16.087 1.253 -0.665 619 HG21 THR 82 1HG2 THR 82 -17.770 -0.688 0.287 620 HG22 THR 82 2HG2 THR 82 -17.856 -0.064 1.952 621 HG23 THR 82 3HG2 THR 82 -17.843 1.067 0.577 622 H ALA 83 H ALA 83 -17.342 0.236 4.103 623 HA ALA 83 HA ALA 83 -16.075 -1.562 5.848 624 HB1 ALA 83 1HB ALA 83 -17.814 -0.323 6.791 625 HB2 ALA 83 2HB ALA 83 -18.884 -0.564 5.389 626 HB3 ALA 83 3HB ALA 83 -18.594 -1.901 6.529 627 H LEU 84 H LEU 84 -16.157 -3.815 6.028 628 HA LEU 84 HA LEU 84 -16.030 -5.843 5.098 629 HB2 LEU 84 1HB LEU 84 -18.955 -5.237 4.640 630 HB3 LEU 84 2HB LEU 84 -18.234 -6.834 4.664 631 HG LEU 84 HG LEU 84 -18.659 -4.923 6.952 632 HD11 LEU 84 1HD1 LEU 84 -20.148 -7.021 5.996 633 HD12 LEU 84 2HD1 LEU 84 -19.203 -7.786 7.296 634 HD13 LEU 84 3HD1 LEU 84 -20.217 -6.367 7.650 635 HD21 LEU 84 1HD2 LEU 84 -16.438 -5.498 7.385 636 HD22 LEU 84 2HD2 LEU 84 -17.379 -6.674 8.333 637 HD23 LEU 84 3HD2 LEU 84 -16.647 -7.160 6.785 638 H THR 85 H THR 85 -14.702 -4.473 3.356 639 HA THR 85 HA THR 85 -15.743 -5.388 0.780 640 HB THR 85 HB THR 85 -14.897 -2.550 1.532 641 HG1 THR 85 1HG THR 85 -17.133 -2.767 1.592 642 HG21 THR 85 1HG2 THR 85 -14.755 -1.965 -0.759 643 HG22 THR 85 2HG2 THR 85 -13.906 -3.530 -0.734 644 HG23 THR 85 3HG2 THR 85 -15.597 -3.443 -1.284 645 H THR 86 H THR 86 -14.144 -5.898 -0.773 646 HA THR 86 HA THR 86 -11.602 -6.545 0.480 647 HB THR 86 HB THR 86 -12.791 -7.221 -2.263 648 HG1 THR 86 1HG THR 86 -13.437 -9.121 -1.087 649 HG21 THR 86 1HG2 THR 86 -11.195 -9.172 -2.085 650 HG22 THR 86 2HG2 THR 86 -10.346 -7.613 -2.214 651 HG23 THR 86 3HG2 THR 86 -10.489 -8.420 -0.634 652 H TYR 87 H TYR 87 -9.704 -5.536 0.161 653 HA TYR 87 HA TYR 87 -9.550 -3.673 -2.095 654 HB2 TYR 87 1HB TYR 87 -9.223 -3.278 0.915 655 HB3 TYR 87 2HB TYR 87 -8.220 -2.314 -0.151 656 HD1 TYR 87 1HD TYR 87 -11.667 -2.958 0.979 657 HD2 TYR 87 2HD TYR 87 -9.173 -0.533 -1.510 658 HE1 TYR 87 1HE TYR 87 -13.561 -1.285 0.699 659 HE2 TYR 87 2HE TYR 87 -11.075 1.132 -1.782 660 HH TYR 87 HH TYR 87 -14.012 0.582 -1.435 661 H THR 88 H THR 88 -7.361 -3.198 -2.790 662 HA THR 88 HA THR 88 -5.393 -5.117 -1.725 663 HB THR 88 HB THR 88 -6.337 -4.499 -4.524 664 HG1 THR 88 1HG THR 88 -6.786 -6.593 -3.900 665 HG21 THR 88 1HG2 THR 88 -4.258 -5.193 -5.526 666 HG22 THR 88 2HG2 THR 88 -3.802 -3.917 -4.372 667 HG23 THR 88 3HG2 THR 88 -3.560 -5.629 -3.948 668 H ILE 89 H ILE 89 -3.902 -4.052 -0.588 669 HA ILE 89 HA ILE 89 -3.343 -1.298 -1.294 670 HB ILE 89 HB ILE 89 -2.062 -2.859 0.927 671 HG12 ILE 89 1HG1 ILE 89 -4.387 -3.366 1.200 672 HG13 ILE 89 2HG1 ILE 89 -3.946 -2.155 2.387 673 HG21 ILE 89 1HG2 ILE 89 -1.440 -0.442 0.159 674 HG22 ILE 89 2HG2 ILE 89 -2.931 0.012 1.017 675 HG23 ILE 89 3HG2 ILE 89 -1.617 -0.811 1.891 676 HD11 ILE 89 1HD1 ILE 89 -6.143 -1.901 0.862 677 HD12 ILE 89 2HD1 ILE 89 -5.193 -0.483 1.367 678 HD13 ILE 89 3HD1 ILE 89 -4.973 -1.167 -0.261 679 H GLU 90 H GLU 90 -1.763 -0.740 -2.685 680 HA GLU 90 HA GLU 90 0.232 -2.779 -3.236 681 HB2 GLU 90 1HB GLU 90 -0.543 -0.302 -4.840 682 HB3 GLU 90 2HB GLU 90 0.649 -1.488 -5.333 683 HG2 GLU 90 1HG GLU 90 -0.939 -3.048 -5.925 684 HG3 GLU 90 2HG GLU 90 -1.988 -2.649 -4.579 685 H VAL 91 H VAL 91 2.262 -2.533 -2.410 686 HA VAL 91 HA VAL 91 3.050 0.199 -1.660 687 HB VAL 91 HB VAL 91 3.667 -2.461 -0.364 688 HG11 VAL 91 1HG1 VAL 91 5.450 -0.405 -0.524 689 HG12 VAL 91 2HG1 VAL 91 4.568 0.026 0.961 690 HG13 VAL 91 3HG1 VAL 91 5.364 -1.561 0.826 691 HG21 VAL 91 1HG2 VAL 91 1.438 -1.507 0.141 692 HG22 VAL 91 2HG2 VAL 91 2.499 -1.551 1.570 693 HG23 VAL 91 3HG2 VAL 91 2.224 -0.015 0.713 694 H ALA 92 H ALA 92 4.861 1.005 -2.618 695 HA ALA 92 HA ALA 92 6.709 -0.917 -3.822 696 HB1 ALA 92 1HB ALA 92 6.729 1.034 -5.700 697 HB2 ALA 92 2HB ALA 92 5.681 -0.401 -5.801 698 HB3 ALA 92 3HB ALA 92 5.028 1.136 -5.185 699 H ALA 93 H ALA 93 8.865 0.071 -4.259 700 HA ALA 93 HA ALA 93 9.400 2.108 -2.232 701 HB1 ALA 93 1HB ALA 93 10.687 -0.318 -3.124 702 HB2 ALA 93 2HB ALA 93 11.795 1.056 -3.352 703 HB3 ALA 93 3HB ALA 93 11.103 0.728 -1.745 704 H MET 94 H MET 94 10.280 4.107 -2.745 705 HA MET 94 HA MET 94 10.489 4.600 -5.612 706 HB2 MET 94 1HB MET 94 9.906 6.510 -3.279 707 HB3 MET 94 2HB MET 94 9.997 7.001 -4.959 708 HG2 MET 94 1HG MET 94 7.992 5.894 -5.540 709 HG3 MET 94 2HG MET 94 8.108 4.758 -4.210 710 HE1 MET 94 1HE MET 94 6.023 8.579 -4.608 711 HE2 MET 94 2HE MET 94 7.698 9.071 -4.256 712 HE3 MET 94 3HE MET 94 7.362 7.957 -5.603 713 H THR 95 H THR 95 12.414 5.348 -6.462 714 HA THR 95 HA THR 95 14.486 6.106 -4.508 715 HB THR 95 HB THR 95 16.088 4.921 -5.983 716 HG1 THR 95 1HG THR 95 13.656 4.150 -7.419 717 HG21 THR 95 1HG2 THR 95 14.812 3.485 -4.317 718 HG22 THR 95 2HG2 THR 95 13.608 3.166 -5.589 719 HG23 THR 95 3HG2 THR 95 15.284 2.601 -5.788 720 H SER 96 H SER 96 16.429 6.844 -6.458 721 HA SER 96 HA SER 96 15.481 9.448 -6.940 722 HB2 SER 96 1HB SER 96 17.695 9.954 -7.532 723 HB3 SER 96 2HB SER 96 17.904 8.603 -6.436 724 HG SER 96 HG SER 96 18.280 8.732 -9.249 725 H LYS 97 H LYS 97 14.930 6.545 -8.547 726 HA LYS 97 HA LYS 97 14.990 7.727 -11.209 727 HB2 LYS 97 1HB LYS 97 14.872 4.947 -10.107 728 HB3 LYS 97 2HB LYS 97 14.167 5.241 -11.684 729 HG2 LYS 97 1HG LYS 97 16.941 6.296 -11.052 730 HG3 LYS 97 2HG LYS 97 16.729 4.613 -11.494 731 HD2 LYS 97 1HD LYS 97 15.547 6.840 -13.198 732 HD3 LYS 97 2HD LYS 97 17.215 6.341 -13.397 733 HE2 LYS 97 1HE LYS 97 16.588 4.103 -14.032 734 HE3 LYS 97 2HE LYS 97 14.948 4.309 -13.449 735 HZ1 LYS 97 1HZ LYS 97 15.889 6.109 -15.520 736 HZ2 LYS 97 2HZ LYS 97 15.523 4.576 -15.946 737 HZ3 LYS 97 3HZ LYS 97 14.386 5.526 -15.257 738 H GLY 98 H GLY 98 12.702 6.091 -8.917 739 HA2 GLY 98 1HA GLY 98 10.614 7.849 -9.209 740 HA3 GLY 98 2HA GLY 98 10.413 6.701 -10.518 741 H GLN 99 H GLN 99 9.363 4.795 -10.096 742 HA GLN 99 HA GLN 99 9.331 3.941 -7.313 743 HB2 GLN 99 1HB GLN 99 7.187 5.021 -7.693 744 HB3 GLN 99 2HB GLN 99 6.955 4.166 -9.205 745 HG2 GLN 99 1HG GLN 99 7.389 2.100 -7.346 746 HG3 GLN 99 2HG GLN 99 6.433 3.262 -6.447 747 HE21 GLN 99 1HE2 GLN 99 4.423 2.606 -6.443 748 HE22 GLN 99 2HE2 GLN 99 3.488 2.082 -7.804 749 H GLY 100 H GLY 100 9.564 1.714 -6.993 750 HA2 GLY 100 1HA GLY 100 10.129 0.163 -9.423 751 HA3 GLY 100 2HA GLY 100 10.676 -0.188 -7.796 752 H GLN 101 H GLN 101 9.782 -2.408 -8.532 753 HA GLN 101 HA GLN 101 7.276 -3.023 -9.080 754 HB2 GLN 101 1HB GLN 101 9.482 -4.418 -8.190 755 HB3 GLN 101 2HB GLN 101 8.368 -4.680 -6.863 756 HG2 GLN 101 1HG GLN 101 7.018 -6.045 -8.105 757 HG3 GLN 101 2HG GLN 101 7.061 -4.979 -9.495 758 HE21 GLN 101 1HE2 GLN 101 7.731 -7.973 -8.548 759 HE22 GLN 101 2HE2 GLN 101 9.064 -8.398 -9.570 760 H VAL 102 H VAL 102 5.373 -3.757 -7.776 761 HA VAL 102 HA VAL 102 5.228 -2.389 -5.185 762 HB VAL 102 HB VAL 102 4.168 -1.197 -7.233 763 HG11 VAL 102 1HG1 VAL 102 1.868 -3.066 -6.632 764 HG12 VAL 102 2HG1 VAL 102 2.039 -1.896 -7.962 765 HG13 VAL 102 3HG1 VAL 102 3.020 -3.381 -7.952 766 HG21 VAL 102 1HG2 VAL 102 2.522 -1.701 -4.730 767 HG22 VAL 102 2HG2 VAL 102 3.866 -0.542 -4.871 768 HG23 VAL 102 3HG2 VAL 102 2.383 -0.305 -5.826 769 H SER 103 H SER 103 4.152 -3.524 -3.571 770 HA SER 103 HA SER 103 3.410 -6.219 -4.364 771 HB2 SER 103 1HB SER 103 4.552 -4.981 -1.887 772 HB3 SER 103 2HB SER 103 3.455 -6.325 -1.644 773 HG SER 103 HG SER 103 4.800 -7.579 -3.150 774 H ALA 104 H ALA 104 1.229 -6.221 -4.894 775 HA ALA 104 HA ALA 104 -0.578 -4.644 -3.240 776 HB1 ALA 104 1HB ALA 104 -0.417 -5.022 -5.944 777 HB2 ALA 104 2HB ALA 104 -1.619 -6.259 -5.503 778 HB3 ALA 104 3HB ALA 104 -1.904 -4.552 -5.087 779 H SER 105 H SER 105 -1.535 -5.567 -1.504 780 HA SER 105 HA SER 105 -1.872 -8.463 -1.627 781 HB2 SER 105 1HB SER 105 -0.548 -6.837 0.320 782 HB3 SER 105 2HB SER 105 -2.008 -7.436 1.083 783 HG SER 105 HG SER 105 -0.522 -9.047 1.440 784 H THR 106 H THR 106 -3.967 -9.229 -1.447 785 HA THR 106 HA THR 106 -6.084 -7.296 -1.300 786 HB THR 106 HB THR 106 -6.582 -10.261 -1.209 787 HG1 THR 106 1HG THR 106 -5.158 -8.693 -3.234 788 HG21 THR 106 1HG2 THR 106 -8.528 -9.246 -1.972 789 HG22 THR 106 2HG2 THR 106 -7.660 -7.807 -2.558 790 HG23 THR 106 3HG2 THR 106 -7.669 -9.297 -3.531 791 H ILE 107 H ILE 107 -7.334 -6.711 0.381 792 HA ILE 107 HA ILE 107 -7.405 -8.426 2.711 793 HB ILE 107 HB ILE 107 -5.457 -7.181 3.226 794 HG12 ILE 107 1HG1 ILE 107 -6.293 -5.767 5.183 795 HG13 ILE 107 2HG1 ILE 107 -7.918 -6.169 4.663 796 HG21 ILE 107 1HG2 ILE 107 -5.269 -5.345 1.888 797 HG22 ILE 107 2HG2 ILE 107 -6.978 -4.884 2.079 798 HG23 ILE 107 3HG2 ILE 107 -5.816 -4.557 3.387 799 HD11 ILE 107 1HD1 ILE 107 -5.847 -8.349 5.093 800 HD12 ILE 107 2HD1 ILE 107 -6.800 -7.699 6.448 801 HD13 ILE 107 3HD1 ILE 107 -7.621 -8.491 5.082 802 H SER 108 H SER 108 -9.429 -8.432 3.576 803 HA SER 108 HA SER 108 -11.256 -6.504 2.426 804 HB2 SER 108 1HB SER 108 -12.067 -8.714 2.142 805 HB3 SER 108 2HB SER 108 -11.576 -9.209 3.749 806 HG SER 108 HG SER 108 -13.581 -7.172 3.360 807 H SER 109 H SER 109 -11.899 -4.749 3.622 808 HA SER 109 HA SER 109 -10.950 -3.992 5.946 809 HB2 SER 109 1HB SER 109 -12.881 -2.533 6.206 810 HB3 SER 109 2HB SER 109 -12.518 -2.683 4.498 811 HG SER 109 HG SER 109 -14.736 -2.965 4.669 812 H GLY 110 H GLY 110 -11.749 -3.963 8.223 813 HA2 GLY 110 1HA GLY 110 -12.397 -6.562 9.145 814 HA3 GLY 110 2HA GLY 110 -12.291 -5.093 10.094 815 H VAL 111 H VAL 111 -14.173 -3.752 10.412 816 HA VAL 111 HA VAL 111 -16.614 -4.197 9.154 817 HB VAL 111 HB VAL 111 -16.603 -6.366 10.190 818 HG11 VAL 111 1HG1 VAL 111 -15.016 -5.958 12.000 819 HG12 VAL 111 2HG1 VAL 111 -16.196 -4.911 12.825 820 HG13 VAL 111 3HG1 VAL 111 -16.525 -6.651 12.642 821 HG21 VAL 111 1HG2 VAL 111 -18.781 -5.465 10.063 822 HG22 VAL 111 2HG2 VAL 111 -18.642 -6.104 11.718 823 HG23 VAL 111 3HG2 VAL 111 -18.495 -4.354 11.424 824 HA PRO 112 HA PRO 112 -17.090 -0.468 11.298 825 HB2 PRO 112 1HB PRO 112 -19.689 0.108 10.680 826 HB3 PRO 112 2HB PRO 112 -18.352 0.426 9.592 827 HG2 PRO 112 1HG PRO 112 -20.380 -1.721 9.459 828 HG3 PRO 112 2HG PRO 112 -19.321 -1.131 8.193 829 HD2 PRO 112 1HD PRO 112 -19.015 -3.556 9.694 830 HD3 PRO 112 2HD PRO 112 -17.897 -2.908 8.511 831 HA PRO 113 HA PRO 113 -18.651 -1.682 15.092 832 HB2 PRO 113 1HB PRO 113 -17.717 0.404 16.590 833 HB3 PRO 113 2HB PRO 113 -16.757 -1.014 16.217 834 HG2 PRO 113 1HG PRO 113 -16.574 1.703 15.067 835 HG3 PRO 113 2HG PRO 113 -15.387 0.415 15.033 836 HD2 PRO 113 1HD PRO 113 -17.095 1.232 12.878 837 HD3 PRO 113 2HD PRO 113 -15.991 -0.129 12.882 838 H SER 114 H SER 114 -20.606 -0.946 13.480 839 HA SER 114 HA SER 114 -21.825 1.363 14.683 840 HB2 SER 114 1HB SER 114 -21.881 0.225 12.124 841 HB3 SER 114 2HB SER 114 -23.459 -0.176 12.771 842 HG SER 114 HG SER 114 -24.007 1.954 12.924 843 H GLY 115 H GLY 115 -23.188 -1.875 13.740 844 HA2 GLY 115 1HA GLY 115 -24.668 -1.879 16.297 845 HA3 GLY 115 2HA GLY 115 -25.196 -2.632 14.805 846 HA PRO 116 HA PRO 116 -22.666 -5.564 17.397 847 HB2 PRO 116 1HB PRO 116 -24.571 -6.856 18.870 848 HB3 PRO 116 2HB PRO 116 -23.595 -5.546 19.504 849 HG2 PRO 116 1HG PRO 116 -26.430 -5.508 18.665 850 HG3 PRO 116 2HG PRO 116 -25.568 -4.364 19.676 851 HD2 PRO 116 1HD PRO 116 -26.297 -4.013 16.924 852 HD3 PRO 116 2HD PRO 116 -25.336 -2.921 17.901 853 H SER 117 H SER 117 -22.922 -8.095 17.564 854 HA SER 117 HA SER 117 -24.711 -9.089 15.610 855 HB2 SER 117 1HB SER 117 -22.984 -9.969 14.052 856 HB3 SER 117 2HB SER 117 -23.010 -8.217 14.075 857 HG SER 117 HG SER 117 -21.271 -8.791 15.959 858 H SER 118 H SER 118 -24.886 -11.407 15.756 859 HA SER 118 HA SER 118 -23.306 -12.489 17.954 860 HB2 SER 118 1HB SER 118 -26.073 -13.299 16.953 861 HB3 SER 118 2HB SER 118 -25.212 -14.104 18.249 862 HG SER 118 HG SER 118 -26.338 -12.672 19.427 863 H GLY 119 H GLY 119 -21.655 -13.752 17.169 864 HA2 GLY 119 1HA GLY 119 -21.963 -16.115 15.856 865 HA3 GLY 119 2HA GLY 119 -21.805 -14.947 14.559 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.861 -22.602 1.499 2 HA2 GLY 1 1HA GLY 1 -10.305 -23.265 -0.704 3 HA3 GLY 1 2HA GLY 1 -11.265 -21.822 -0.961 4 H SER 2 H SER 2 -8.903 -22.954 -2.488 5 HA SER 2 HA SER 2 -7.089 -20.704 -2.113 6 HB2 SER 2 1HB SER 2 -5.490 -22.188 -3.494 7 HB3 SER 2 2HB SER 2 -5.824 -22.692 -1.849 8 HG SER 2 HG SER 2 -7.158 -24.337 -2.569 9 H SER 3 H SER 3 -5.935 -20.122 -4.352 10 HA SER 3 HA SER 3 -7.351 -20.634 -6.694 11 HB2 SER 3 1HB SER 3 -8.473 -18.549 -5.057 12 HB3 SER 3 2HB SER 3 -7.749 -17.786 -6.458 13 HG SER 3 HG SER 3 -9.643 -19.981 -6.526 14 H GLY 4 H GLY 4 -5.918 -20.252 -8.374 15 HA2 GLY 4 1HA GLY 4 -4.296 -18.068 -8.739 16 HA3 GLY 4 2HA GLY 4 -3.345 -19.167 -7.759 17 H SER 5 H SER 5 -3.674 -18.232 -10.849 18 HA SER 5 HA SER 5 -2.562 -20.640 -11.817 19 HB2 SER 5 1HB SER 5 -5.434 -20.108 -12.251 20 HB3 SER 5 2HB SER 5 -4.560 -20.351 -13.750 21 HG SER 5 HG SER 5 -4.013 -22.418 -13.167 22 H SER 6 H SER 6 -1.231 -20.179 -13.598 23 HA SER 6 HA SER 6 -1.753 -18.113 -15.375 24 HB2 SER 6 1HB SER 6 0.148 -16.575 -14.721 25 HB3 SER 6 2HB SER 6 -1.218 -16.545 -13.623 26 HG SER 6 HG SER 6 -0.009 -18.116 -12.271 27 H GLY 7 H GLY 7 1.079 -19.572 -13.603 28 HA2 GLY 7 1HA GLY 7 2.539 -21.154 -14.401 29 HA3 GLY 7 2HA GLY 7 1.852 -21.010 -16.007 30 HA PRO 8 HA PRO 8 5.615 -18.234 -15.376 31 HB2 PRO 8 1HB PRO 8 7.799 -19.875 -15.331 32 HB3 PRO 8 2HB PRO 8 7.087 -19.188 -13.885 33 HG2 PRO 8 1HG PRO 8 6.911 -21.958 -14.901 34 HG3 PRO 8 2HG PRO 8 6.582 -21.358 -13.288 35 HD2 PRO 8 1HD PRO 8 4.646 -22.089 -15.274 36 HD3 PRO 8 2HD PRO 8 4.322 -21.380 -13.704 37 H GLN 9 H GLN 9 7.679 -18.015 -16.873 38 HA GLN 9 HA GLN 9 7.320 -19.509 -19.270 39 HB2 GLN 9 1HB GLN 9 6.148 -16.815 -18.982 40 HB3 GLN 9 2HB GLN 9 7.239 -16.932 -20.348 41 HG2 GLN 9 1HG GLN 9 5.997 -18.782 -21.304 42 HG3 GLN 9 2HG GLN 9 5.065 -19.006 -19.838 43 HE21 GLN 9 1HE2 GLN 9 3.839 -17.028 -19.088 44 HE22 GLN 9 2HE2 GLN 9 2.980 -16.118 -20.286 45 H LEU 10 H LEU 10 8.657 -16.333 -18.082 46 HA LEU 10 HA LEU 10 11.317 -17.357 -18.712 47 HB2 LEU 10 1HB LEU 10 10.150 -14.761 -19.715 48 HB3 LEU 10 2HB LEU 10 11.867 -15.106 -19.687 49 HG LEU 10 HG LEU 10 10.435 -17.253 -21.006 50 HD11 LEU 10 1HD1 LEU 10 10.098 -15.430 -23.030 51 HD12 LEU 10 2HD1 LEU 10 8.803 -16.101 -22.010 52 HD13 LEU 10 3HD1 LEU 10 9.529 -14.527 -21.605 53 HD21 LEU 10 1HD2 LEU 10 12.925 -16.198 -21.088 54 HD22 LEU 10 2HD2 LEU 10 12.237 -17.240 -22.356 55 HD23 LEU 10 3HD2 LEU 10 12.219 -15.470 -22.551 56 H VAL 11 H VAL 11 12.936 -15.406 -17.897 57 HA VAL 11 HA VAL 11 12.041 -14.943 -15.145 58 HB VAL 11 HB VAL 11 14.032 -16.388 -15.585 59 HG11 VAL 11 1HG1 VAL 11 14.746 -14.365 -17.373 60 HG12 VAL 11 2HG1 VAL 11 15.886 -14.183 -16.018 61 HG13 VAL 11 3HG1 VAL 11 15.751 -15.743 -16.863 62 HG21 VAL 11 1HG2 VAL 11 14.676 -13.846 -14.059 63 HG22 VAL 11 2HG2 VAL 11 13.639 -15.155 -13.443 64 HG23 VAL 11 3HG2 VAL 11 15.356 -15.469 -13.792 65 H ARG 12 H ARG 12 12.939 -12.878 -14.125 66 HA ARG 12 HA ARG 12 12.170 -10.754 -15.813 67 HB2 ARG 12 1HB ARG 12 13.431 -10.672 -13.024 68 HB3 ARG 12 2HB ARG 12 12.603 -9.338 -13.803 69 HG2 ARG 12 1HG ARG 12 10.730 -11.407 -13.988 70 HG3 ARG 12 2HG ARG 12 11.475 -11.706 -12.430 71 HD2 ARG 12 1HD ARG 12 9.610 -10.202 -12.051 72 HD3 ARG 12 2HD ARG 12 11.075 -9.266 -11.833 73 HE ARG 12 HE ARG 12 10.447 -8.964 -14.543 74 HH11 ARG 12 2HH2 ARG 12 8.810 -8.325 -11.494 75 HH12 ARG 12 1HH2 ARG 12 7.881 -7.005 -12.122 76 HH21 ARG 12 2HH1 ARG 12 9.221 -7.223 -15.373 77 HH22 ARG 12 1HH1 ARG 12 8.117 -6.374 -14.343 78 H THR 13 H THR 13 13.711 -8.599 -15.530 79 HA THR 13 HA THR 13 16.475 -9.436 -16.094 80 HB THR 13 HB THR 13 16.455 -7.753 -17.956 81 HG1 THR 13 1HG THR 13 14.652 -6.535 -16.876 82 HG21 THR 13 1HG2 THR 13 13.989 -9.521 -18.279 83 HG22 THR 13 2HG2 THR 13 15.120 -8.976 -19.541 84 HG23 THR 13 3HG2 THR 13 15.633 -10.198 -18.353 85 H HIS 14 H HIS 14 17.559 -6.895 -16.502 86 HA HIS 14 HA HIS 14 18.001 -6.124 -13.885 87 HB2 HIS 14 1HB HIS 14 19.228 -5.679 -16.231 88 HB3 HIS 14 2HB HIS 14 18.406 -4.139 -16.074 89 HD1 HIS 14 1HD HIS 14 19.700 -2.402 -14.839 90 HD2 HIS 14 2HD HIS 14 20.770 -6.285 -13.669 91 HE1 HIS 14 1HE HIS 14 21.601 -2.143 -13.157 92 H GLU 15 H GLU 15 17.754 -3.509 -13.406 93 HA GLU 15 HA GLU 15 15.533 -2.199 -14.256 94 HB2 GLU 15 1HB GLU 15 14.870 -4.373 -12.400 95 HB3 GLU 15 2HB GLU 15 14.361 -2.819 -11.768 96 HG2 GLU 15 1HG GLU 15 13.583 -2.612 -14.423 97 HG3 GLU 15 2HG GLU 15 13.352 -4.324 -14.128 98 H ASP 16 H ASP 16 16.715 -0.323 -13.933 99 HA ASP 16 HA ASP 16 18.472 0.208 -12.001 100 HB2 ASP 16 1HB ASP 16 17.366 1.639 -14.025 101 HB3 ASP 16 2HB ASP 16 16.551 2.422 -12.685 102 H VAL 17 H VAL 17 14.875 0.633 -11.914 103 HA VAL 17 HA VAL 17 14.851 1.778 -9.316 104 HB VAL 17 HB VAL 17 12.361 1.078 -9.561 105 HG11 VAL 17 1HG1 VAL 17 12.627 3.331 -9.789 106 HG12 VAL 17 2HG1 VAL 17 13.923 3.171 -10.999 107 HG13 VAL 17 3HG1 VAL 17 12.223 2.950 -11.480 108 HG21 VAL 17 1HG2 VAL 17 11.565 0.421 -11.652 109 HG22 VAL 17 2HG2 VAL 17 13.059 0.908 -12.488 110 HG23 VAL 17 3HG2 VAL 17 13.045 -0.551 -11.469 111 HA PRO 18 HA PRO 18 14.780 -1.784 -6.870 112 HB2 PRO 18 1HB PRO 18 12.963 -1.232 -4.905 113 HB3 PRO 18 2HB PRO 18 14.592 -0.586 -4.913 114 HG2 PRO 18 1HG PRO 18 12.051 0.784 -5.552 115 HG3 PRO 18 2HG PRO 18 13.604 1.486 -5.143 116 HD2 PRO 18 1HD PRO 18 12.439 1.305 -7.757 117 HD3 PRO 18 2HD PRO 18 14.039 1.900 -7.362 118 H GLY 19 H GLY 19 13.340 -3.512 -5.661 119 HA2 GLY 19 1HA GLY 19 11.361 -4.280 -7.710 120 HA3 GLY 19 2HA GLY 19 12.255 -5.373 -6.672 121 HA PRO 20 HA PRO 20 8.312 -4.853 -4.587 122 HB2 PRO 20 1HB PRO 20 7.951 -7.477 -3.917 123 HB3 PRO 20 2HB PRO 20 7.321 -6.769 -5.391 124 HG2 PRO 20 1HG PRO 20 9.640 -8.568 -5.043 125 HG3 PRO 20 2HG PRO 20 8.748 -8.197 -6.505 126 HD2 PRO 20 1HD PRO 20 11.321 -7.173 -5.759 127 HD3 PRO 20 2HD PRO 20 10.377 -6.715 -7.162 128 H VAL 21 H VAL 21 7.940 -4.293 -2.506 129 HA VAL 21 HA VAL 21 10.157 -4.306 -0.811 130 HB VAL 21 HB VAL 21 8.332 -3.753 0.919 131 HG11 VAL 21 1HG1 VAL 21 9.786 -2.129 -0.344 132 HG12 VAL 21 2HG1 VAL 21 8.477 -1.984 -1.541 133 HG13 VAL 21 3HG1 VAL 21 8.199 -1.488 0.146 134 HG21 VAL 21 1HG2 VAL 21 6.144 -3.612 0.328 135 HG22 VAL 21 2HG2 VAL 21 6.512 -3.138 -1.348 136 HG23 VAL 21 3HG2 VAL 21 6.618 -4.847 -0.862 137 H GLY 22 H GLY 22 9.673 -5.215 1.637 138 HA2 GLY 22 1HA GLY 22 10.252 -7.872 1.642 139 HA3 GLY 22 2HA GLY 22 9.479 -7.025 2.968 140 H HIS 23 H HIS 23 7.196 -7.168 3.284 141 HA HIS 23 HA HIS 23 5.673 -8.662 1.349 142 HB2 HIS 23 1HB HIS 23 5.208 -10.535 2.592 143 HB3 HIS 23 2HB HIS 23 6.896 -10.276 2.985 144 HD1 HIS 23 1HD HIS 23 3.442 -10.122 4.474 145 HD2 HIS 23 2HD HIS 23 7.417 -9.494 5.659 146 HE1 HIS 23 1HE HIS 23 3.414 -9.974 7.021 147 H LEU 24 H LEU 24 3.710 -7.698 1.179 148 HA LEU 24 HA LEU 24 3.023 -5.507 2.711 149 HB2 LEU 24 1HB LEU 24 1.878 -7.116 0.590 150 HB3 LEU 24 2HB LEU 24 0.642 -6.571 1.706 151 HG LEU 24 HG LEU 24 1.079 -5.096 -0.298 152 HD11 LEU 24 1HD1 LEU 24 1.582 -3.337 2.021 153 HD12 LEU 24 2HD1 LEU 24 0.254 -3.338 0.836 154 HD13 LEU 24 3HD1 LEU 24 0.227 -4.477 2.203 155 HD21 LEU 24 1HD2 LEU 24 3.308 -3.686 0.938 156 HD22 LEU 24 2HD2 LEU 24 3.737 -5.346 0.460 157 HD23 LEU 24 3HD2 LEU 24 3.074 -4.216 -0.745 158 H SER 25 H SER 25 1.942 -5.180 4.618 159 HA SER 25 HA SER 25 0.646 -7.491 5.784 160 HB2 SER 25 1HB SER 25 3.131 -7.090 6.596 161 HB3 SER 25 2HB SER 25 2.435 -5.775 7.522 162 HG SER 25 HG SER 25 0.982 -8.156 7.750 163 H PHE 26 H PHE 26 -0.618 -6.740 7.869 164 HA PHE 26 HA PHE 26 -1.278 -3.933 7.854 165 HB2 PHE 26 1HB PHE 26 -3.294 -6.188 7.282 166 HB3 PHE 26 2HB PHE 26 -3.721 -4.500 7.480 167 HD1 PHE 26 1HD PHE 26 -2.882 -2.830 5.777 168 HD2 PHE 26 2HD PHE 26 -2.597 -7.023 5.188 169 HE1 PHE 26 1HE PHE 26 -2.578 -2.463 3.313 170 HE2 PHE 26 2HE PHE 26 -2.293 -6.656 2.724 171 HZ PHE 26 HZ PHE 26 -2.287 -4.380 1.815 172 H SER 27 H SER 27 -2.752 -3.364 9.688 173 HA SER 27 HA SER 27 -3.335 -5.384 11.573 174 HB2 SER 27 1HB SER 27 -1.056 -3.446 12.146 175 HB3 SER 27 2HB SER 27 -1.913 -4.298 13.416 176 HG SER 27 HG SER 27 -1.071 -6.235 12.771 177 H GLU 28 H GLU 28 -4.668 -4.525 13.354 178 HA GLU 28 HA GLU 28 -6.177 -3.216 14.201 179 HB2 GLU 28 1HB GLU 28 -4.247 -1.069 13.255 180 HB3 GLU 28 2HB GLU 28 -5.726 -0.654 14.099 181 HG2 GLU 28 1HG GLU 28 -4.308 -2.820 15.481 182 HG3 GLU 28 2HG GLU 28 -3.263 -1.430 15.265 183 H ILE 29 H ILE 29 -7.012 -4.314 11.895 184 HA ILE 29 HA ILE 29 -7.867 -2.269 10.054 185 HB ILE 29 HB ILE 29 -8.606 -5.191 10.095 186 HG12 ILE 29 1HG1 ILE 29 -6.046 -3.852 9.327 187 HG13 ILE 29 2HG1 ILE 29 -6.317 -5.411 10.080 188 HG21 ILE 29 1HG2 ILE 29 -9.350 -4.934 7.953 189 HG22 ILE 29 2HG2 ILE 29 -9.724 -3.316 8.593 190 HG23 ILE 29 3HG2 ILE 29 -8.260 -3.568 7.613 191 HD11 ILE 29 1HD1 ILE 29 -5.629 -5.919 7.852 192 HD12 ILE 29 2HD1 ILE 29 -7.395 -6.140 7.838 193 HD13 ILE 29 3HD1 ILE 29 -6.677 -4.660 7.156 194 H LEU 30 H LEU 30 -9.928 -1.413 9.846 195 HA LEU 30 HA LEU 30 -11.782 -2.198 11.985 196 HB2 LEU 30 1HB LEU 30 -11.319 0.472 10.656 197 HB3 LEU 30 2HB LEU 30 -12.686 0.127 11.696 198 HG LEU 30 HG LEU 30 -11.044 1.290 12.979 199 HD11 LEU 30 1HD1 LEU 30 -10.945 -0.061 14.852 200 HD12 LEU 30 2HD1 LEU 30 -12.254 -0.819 13.913 201 HD13 LEU 30 3HD1 LEU 30 -10.624 -1.535 13.907 202 HD21 LEU 30 1HD2 LEU 30 -8.924 -0.778 12.726 203 HD22 LEU 30 2HD2 LEU 30 -9.163 0.314 11.342 204 HD23 LEU 30 3HD2 LEU 30 -8.799 0.983 12.951 205 H ASP 31 H ASP 31 -13.333 -0.061 9.959 206 HA ASP 31 HA ASP 31 -14.417 -2.292 8.428 207 HB2 ASP 31 1HB ASP 31 -16.489 -0.813 8.262 208 HB3 ASP 31 2HB ASP 31 -16.127 -1.410 9.870 209 H THR 32 H THR 32 -13.148 1.044 8.469 210 HA THR 32 HA THR 32 -12.905 0.950 5.561 211 HB THR 32 HB THR 32 -13.979 3.101 5.279 212 HG1 THR 32 1HG THR 32 -13.969 2.983 8.213 213 HG21 THR 32 1HG2 THR 32 -16.219 2.855 6.431 214 HG22 THR 32 2HG2 THR 32 -15.714 1.366 5.595 215 HG23 THR 32 3HG2 THR 32 -15.549 1.495 7.363 216 H SER 33 H SER 33 -11.247 0.776 8.201 217 HA SER 33 HA SER 33 -9.192 2.498 7.146 218 HB2 SER 33 1HB SER 33 -8.789 2.947 9.822 219 HB3 SER 33 2HB SER 33 -9.607 4.065 8.748 220 HG SER 33 HG SER 33 -11.187 3.837 10.204 221 H LEU 34 H LEU 34 -7.119 1.588 7.401 222 HA LEU 34 HA LEU 34 -6.653 -0.430 9.364 223 HB2 LEU 34 1HB LEU 34 -6.438 -2.319 8.038 224 HB3 LEU 34 2HB LEU 34 -7.965 -1.607 7.553 225 HG LEU 34 HG LEU 34 -6.733 -0.560 5.593 226 HD11 LEU 34 1HD1 LEU 34 -4.494 -0.589 5.837 227 HD12 LEU 34 2HD1 LEU 34 -4.512 -2.041 6.867 228 HD13 LEU 34 3HD1 LEU 34 -4.641 -2.202 5.099 229 HD21 LEU 34 1HD2 LEU 34 -7.290 -2.320 4.264 230 HD22 LEU 34 2HD2 LEU 34 -6.503 -3.519 5.319 231 HD23 LEU 34 3HD2 LEU 34 -8.089 -2.845 5.765 232 H LYS 35 H LYS 35 -4.395 -0.892 9.582 233 HA LYS 35 HA LYS 35 -2.755 1.059 8.138 234 HB2 LYS 35 1HB LYS 35 -3.041 0.872 10.780 235 HB3 LYS 35 2HB LYS 35 -1.797 -0.348 10.597 236 HG2 LYS 35 1HG LYS 35 -1.315 2.175 9.074 237 HG3 LYS 35 2HG LYS 35 -1.300 2.352 10.817 238 HD2 LYS 35 1HD LYS 35 0.245 0.075 9.552 239 HD3 LYS 35 2HD LYS 35 0.923 1.690 9.514 240 HE2 LYS 35 1HE LYS 35 0.002 0.260 12.054 241 HE3 LYS 35 2HE LYS 35 1.667 0.351 11.516 242 HZ1 LYS 35 1HZ LYS 35 1.011 2.896 11.461 243 HZ2 LYS 35 2HZ LYS 35 0.013 2.407 12.658 244 HZ3 LYS 35 3HZ LYS 35 1.623 2.171 12.790 245 H VAL 36 H VAL 36 -0.965 0.423 6.945 246 HA VAL 36 HA VAL 36 -0.710 -2.486 6.630 247 HB VAL 36 HB VAL 36 -1.067 -2.049 4.495 248 HG11 VAL 36 1HG1 VAL 36 -1.453 0.150 3.587 249 HG12 VAL 36 2HG1 VAL 36 -2.141 0.092 5.227 250 HG13 VAL 36 3HG1 VAL 36 -0.589 0.915 4.942 251 HG21 VAL 36 1HG2 VAL 36 1.571 -0.579 4.752 252 HG22 VAL 36 2HG2 VAL 36 1.293 -2.256 4.223 253 HG23 VAL 36 3HG2 VAL 36 0.776 -0.900 3.192 254 H SER 37 H SER 37 1.504 -3.313 6.227 255 HA SER 37 HA SER 37 3.612 -1.525 7.005 256 HB2 SER 37 1HB SER 37 4.338 -3.543 8.645 257 HB3 SER 37 2HB SER 37 3.383 -2.181 9.195 258 HG SER 37 HG SER 37 1.445 -3.540 8.609 259 H TRP 38 H TRP 38 5.439 -2.006 5.808 260 HA TRP 38 HA TRP 38 5.611 -4.723 4.704 261 HB2 TRP 38 1HB TRP 38 6.483 -3.737 2.616 262 HB3 TRP 38 2HB TRP 38 4.794 -3.381 2.922 263 HD1 TRP 38 HD TRP 38 8.234 -1.611 2.892 264 HE1 TRP 38 1HE TRP 38 7.953 1.005 2.688 265 HE3 TRP 38 3HE TRP 38 3.173 -1.590 3.379 266 HZ2 TRP 38 2HZ TRP 38 5.696 2.750 2.752 267 HZ3 TRP 38 3HZ TRP 38 2.007 0.612 3.298 268 HH2 TRP 38 HH TRP 38 3.186 2.732 2.997 269 H GLN 39 H GLN 39 8.111 -4.420 3.451 270 HA GLN 39 HA GLN 39 9.810 -3.377 5.562 271 HB2 GLN 39 1HB GLN 39 9.476 -6.197 4.796 272 HB3 GLN 39 2HB GLN 39 11.145 -5.680 4.661 273 HG2 GLN 39 1HG GLN 39 9.663 -4.833 7.136 274 HG3 GLN 39 2HG GLN 39 10.058 -6.535 6.998 275 HE21 GLN 39 1HE2 GLN 39 11.077 -4.694 8.904 276 HE22 GLN 39 2HE2 GLN 39 12.794 -4.577 8.709 277 H GLU 40 H GLU 40 12.297 -3.732 4.636 278 HA GLU 40 HA GLU 40 12.257 -2.174 2.250 279 HB2 GLU 40 1HB GLU 40 14.088 -2.683 4.443 280 HB3 GLU 40 2HB GLU 40 14.932 -2.917 2.925 281 HG2 GLU 40 1HG GLU 40 14.308 -0.686 2.147 282 HG3 GLU 40 2HG GLU 40 13.223 -0.456 3.504 283 HA PRO 41 HA PRO 41 12.894 -5.555 -0.417 284 HB2 PRO 41 1HB PRO 41 13.462 -4.195 -2.719 285 HB3 PRO 41 2HB PRO 41 11.829 -4.475 -2.150 286 HG2 PRO 41 1HG PRO 41 13.417 -1.983 -2.073 287 HG3 PRO 41 2HG PRO 41 11.684 -2.185 -1.913 288 HD2 PRO 41 1HD PRO 41 13.556 -1.683 0.201 289 HD3 PRO 41 2HD PRO 41 11.841 -2.000 0.373 290 H GLY 42 H GLY 42 14.456 -6.877 -1.418 291 HA2 GLY 42 1HA GLY 42 17.111 -6.214 -0.466 292 HA3 GLY 42 2HA GLY 42 16.577 -7.708 -1.209 293 H GLU 43 H GLU 43 15.250 -5.566 -3.282 294 HA GLU 43 HA GLU 43 17.679 -5.503 -4.891 295 HB2 GLU 43 1HB GLU 43 15.588 -5.083 -6.662 296 HB3 GLU 43 2HB GLU 43 16.368 -6.624 -6.364 297 HG2 GLU 43 1HG GLU 43 14.696 -6.991 -4.454 298 HG3 GLU 43 2HG GLU 43 13.854 -5.555 -5.003 299 H LYS 44 H LYS 44 17.203 -3.498 -2.895 300 HA LYS 44 HA LYS 44 15.839 -1.282 -3.510 301 HB2 LYS 44 1HB LYS 44 18.683 -1.441 -2.469 302 HB3 LYS 44 2HB LYS 44 17.673 -0.012 -2.395 303 HG2 LYS 44 1HG LYS 44 15.922 -1.522 -1.189 304 HG3 LYS 44 2HG LYS 44 17.221 -2.685 -1.011 305 HD2 LYS 44 1HD LYS 44 18.613 -0.873 0.103 306 HD3 LYS 44 2HD LYS 44 17.218 0.186 0.030 307 HE2 LYS 44 1HE LYS 44 16.619 -0.683 2.048 308 HE3 LYS 44 2HE LYS 44 16.147 -2.126 1.172 309 HZ1 LYS 44 1HZ LYS 44 17.896 -3.215 1.952 310 HZ2 LYS 44 2HZ LYS 44 18.944 -1.989 1.695 311 HZ3 LYS 44 3HZ LYS 44 18.042 -2.021 3.056 312 H ASN 45 H ASN 45 18.624 -2.605 -5.262 313 HA ASN 45 HA ASN 45 19.777 -1.859 -6.970 314 HB2 ASN 45 1HB ASN 45 16.880 -1.322 -7.713 315 HB3 ASN 45 2HB ASN 45 18.141 -0.891 -8.851 316 HD21 ASN 45 1HD2 ASN 45 16.183 -3.335 -7.615 317 HD22 ASN 45 2HD2 ASN 45 16.900 -4.714 -8.380 318 H GLY 46 H GLY 46 19.519 0.119 -4.778 319 HA2 GLY 46 1HA GLY 46 20.788 2.280 -5.452 320 HA3 GLY 46 2HA GLY 46 19.248 2.685 -6.183 321 H ILE 47 H ILE 47 20.092 4.404 -4.264 322 HA ILE 47 HA ILE 47 19.255 3.619 -1.658 323 HB ILE 47 HB ILE 47 20.071 6.219 -2.931 324 HG12 ILE 47 1HG1 ILE 47 21.932 4.806 -2.603 325 HG13 ILE 47 2HG1 ILE 47 21.965 5.954 -1.279 326 HG21 ILE 47 1HG2 ILE 47 18.489 5.867 -0.542 327 HG22 ILE 47 2HG2 ILE 47 20.081 6.555 -0.144 328 HG23 ILE 47 3HG2 ILE 47 19.036 7.363 -1.336 329 HD11 ILE 47 1HD1 ILE 47 20.615 4.158 0.059 330 HD12 ILE 47 2HD1 ILE 47 21.139 3.035 -1.219 331 HD13 ILE 47 3HD1 ILE 47 22.350 3.871 -0.218 332 H LEU 48 H LEU 48 17.238 3.602 -0.810 333 HA LEU 48 HA LEU 48 15.053 4.294 -2.496 334 HB2 LEU 48 1HB LEU 48 15.057 3.536 0.427 335 HB3 LEU 48 2HB LEU 48 13.684 3.517 -0.662 336 HG LEU 48 HG LEU 48 16.141 1.765 -0.952 337 HD11 LEU 48 1HD1 LEU 48 14.950 -0.019 0.006 338 HD12 LEU 48 2HD1 LEU 48 14.662 1.363 1.090 339 HD13 LEU 48 3HD1 LEU 48 13.403 0.858 -0.062 340 HD21 LEU 48 1HD2 LEU 48 13.778 2.262 -2.652 341 HD22 LEU 48 2HD2 LEU 48 15.396 1.649 -3.070 342 HD23 LEU 48 3HD2 LEU 48 14.178 0.548 -2.381 343 H THR 49 H THR 49 13.936 6.179 -2.640 344 HA THR 49 HA THR 49 14.767 8.313 -0.807 345 HB THR 49 HB THR 49 13.770 9.757 -2.647 346 HG1 THR 49 1HG THR 49 12.344 7.883 -3.309 347 HG21 THR 49 1HG2 THR 49 15.414 9.104 -4.465 348 HG22 THR 49 2HG2 THR 49 16.177 9.254 -2.864 349 HG23 THR 49 3HG2 THR 49 15.807 7.643 -3.526 350 H GLY 50 H GLY 50 12.223 6.070 -1.373 351 HA2 GLY 50 1HA GLY 50 10.724 6.723 0.799 352 HA3 GLY 50 2HA GLY 50 10.079 7.757 -0.460 353 H TYR 51 H TYR 51 8.180 6.171 0.294 354 HA TYR 51 HA TYR 51 8.185 3.969 -1.653 355 HB2 TYR 51 1HB TYR 51 7.144 4.178 1.239 356 HB3 TYR 51 2HB TYR 51 6.708 2.851 0.182 357 HD1 TYR 51 2HD TYR 51 8.683 1.455 -0.818 358 HD2 TYR 51 1HD TYR 51 9.056 4.021 2.584 359 HE1 TYR 51 2HE TYR 51 10.769 0.197 -0.089 360 HE2 TYR 51 1HE TYR 51 11.140 2.755 3.302 361 HH TYR 51 HH TYR 51 12.026 -0.224 1.854 362 H ARG 52 H ARG 52 6.284 3.690 -2.834 363 HA ARG 52 HA ARG 52 4.338 5.797 -2.375 364 HB2 ARG 52 1HB ARG 52 5.209 5.981 -4.601 365 HB3 ARG 52 2HB ARG 52 5.188 4.247 -4.851 366 HG2 ARG 52 1HG ARG 52 2.986 4.235 -5.488 367 HG3 ARG 52 2HG ARG 52 2.512 5.356 -4.226 368 HD2 ARG 52 1HD ARG 52 3.019 7.262 -5.534 369 HD3 ARG 52 2HD ARG 52 4.144 6.392 -6.557 370 HE ARG 52 HE ARG 52 1.347 5.468 -6.725 371 HH11 ARG 52 2HH2 ARG 52 3.836 7.560 -8.072 372 HH12 ARG 52 1HH2 ARG 52 3.049 7.721 -9.607 373 HH21 ARG 52 2HH1 ARG 52 0.309 5.680 -8.750 374 HH22 ARG 52 1HH1 ARG 52 1.030 6.644 -9.996 375 H ILE 53 H ILE 53 2.542 5.078 -1.267 376 HA ILE 53 HA ILE 53 1.763 2.283 -1.650 377 HB ILE 53 HB ILE 53 2.267 2.930 0.624 378 HG12 ILE 53 1HG1 ILE 53 -0.733 2.624 0.390 379 HG13 ILE 53 2HG1 ILE 53 0.377 1.320 0.017 380 HG21 ILE 53 1HG2 ILE 53 0.145 4.601 1.387 381 HG22 ILE 53 2HG2 ILE 53 1.878 5.003 1.313 382 HG23 ILE 53 3HG2 ILE 53 0.828 5.331 -0.086 383 HD11 ILE 53 1HD1 ILE 53 0.333 0.820 2.231 384 HD12 ILE 53 2HD1 ILE 53 1.319 2.280 2.481 385 HD13 ILE 53 3HD1 ILE 53 -0.452 2.365 2.634 386 H SER 54 H SER 54 -0.360 1.720 -2.266 387 HA SER 54 HA SER 54 -2.157 3.895 -2.826 388 HB2 SER 54 1HB SER 54 -1.906 2.004 -5.109 389 HB3 SER 54 2HB SER 54 -2.194 3.732 -5.117 390 HG SER 54 HG SER 54 0.184 2.349 -5.400 391 H TRP 55 H TRP 55 -4.044 3.222 -1.879 392 HA TRP 55 HA TRP 55 -4.553 0.338 -1.802 393 HB2 TRP 55 1HB TRP 55 -6.002 0.772 0.046 394 HB3 TRP 55 2HB TRP 55 -4.444 1.516 0.348 395 HD1 TRP 55 HD TRP 55 -8.029 2.591 -0.734 396 HE1 TRP 55 1HE TRP 55 -8.513 5.082 -0.010 397 HE3 TRP 55 3HE TRP 55 -3.352 3.542 1.020 398 HZ2 TRP 55 2HZ TRP 55 -6.921 7.125 1.188 399 HZ3 TRP 55 3HZ TRP 55 -2.900 5.810 1.951 400 HH2 TRP 55 HH TRP 55 -4.593 7.570 2.052 401 H GLU 56 H GLU 56 -6.705 -0.431 -2.407 402 HA GLU 56 HA GLU 56 -8.619 1.314 -3.440 403 HB2 GLU 56 1HB GLU 56 -8.450 0.934 -5.814 404 HB3 GLU 56 2HB GLU 56 -6.877 1.482 -5.270 405 HG2 GLU 56 1HG GLU 56 -6.715 -1.299 -4.954 406 HG3 GLU 56 2HG GLU 56 -7.661 -1.126 -6.419 407 H GLU 57 H GLU 57 -10.551 0.127 -4.208 408 HA GLU 57 HA GLU 57 -11.088 -2.074 -2.727 409 HB2 GLU 57 1HB GLU 57 -12.345 -0.625 -4.952 410 HB3 GLU 57 2HB GLU 57 -12.746 -2.331 -4.986 411 HG2 GLU 57 1HG GLU 57 -13.151 -1.969 -2.366 412 HG3 GLU 57 2HG GLU 57 -13.327 -0.290 -2.833 413 H TYR 58 H TYR 58 -12.052 -4.223 -4.042 414 HA TYR 58 HA TYR 58 -9.813 -5.724 -4.646 415 HB2 TYR 58 1HB TYR 58 -11.934 -6.748 -4.011 416 HB3 TYR 58 2HB TYR 58 -12.820 -5.832 -5.214 417 HD1 TYR 58 2HD TYR 58 -10.013 -8.332 -5.109 418 HD2 TYR 58 1HD TYR 58 -13.573 -6.996 -7.069 419 HE1 TYR 58 2HE TYR 58 -9.874 -10.297 -6.716 420 HE2 TYR 58 1HE TYR 58 -13.422 -8.966 -8.670 421 HH TYR 58 HH TYR 58 -11.078 -11.513 -8.177 422 H ASN 59 H ASN 59 -12.383 -4.656 -6.995 423 HA ASN 59 HA ASN 59 -10.243 -4.521 -8.966 424 HB2 ASN 59 1HB ASN 59 -12.059 -6.513 -9.056 425 HB3 ASN 59 2HB ASN 59 -13.058 -5.275 -9.791 426 HD21 ASN 59 1HD2 ASN 59 -10.981 -7.714 -10.405 427 HD22 ASN 59 2HD2 ASN 59 -10.365 -7.267 -11.961 428 H ARG 60 H ARG 60 -10.553 -2.170 -7.957 429 HA ARG 60 HA ARG 60 -12.228 -0.767 -9.795 430 HB2 ARG 60 1HB ARG 60 -12.685 -0.703 -6.784 431 HB3 ARG 60 2HB ARG 60 -13.142 0.660 -7.786 432 HG2 ARG 60 1HG ARG 60 -14.585 -0.822 -9.175 433 HG3 ARG 60 2HG ARG 60 -14.100 -2.210 -8.220 434 HD2 ARG 60 1HD ARG 60 -15.454 -1.635 -6.439 435 HD3 ARG 60 2HD ARG 60 -15.153 0.081 -6.624 436 HE ARG 60 HE ARG 60 -17.007 0.245 -8.062 437 HH11 ARG 60 2HH2 ARG 60 -16.172 -3.140 -7.585 438 HH12 ARG 60 1HH2 ARG 60 -17.602 -3.734 -8.360 439 HH21 ARG 60 2HH1 ARG 60 -18.894 -0.539 -9.085 440 HH22 ARG 60 1HH1 ARG 60 -19.161 -2.245 -9.219 441 H THR 61 H THR 61 -10.588 0.503 -10.649 442 HA THR 61 HA THR 61 -8.443 1.437 -8.982 443 HB THR 61 HB THR 61 -9.249 1.797 -11.911 444 HG1 THR 61 1HG THR 61 -8.418 -0.290 -10.964 445 HG21 THR 61 1HG2 THR 61 -6.687 2.652 -10.461 446 HG22 THR 61 2HG2 THR 61 -6.917 2.648 -12.226 447 HG23 THR 61 3HG2 THR 61 -7.865 3.758 -11.207 448 H ASN 62 H ASN 62 -11.468 2.762 -10.342 449 HA ASN 62 HA ASN 62 -10.985 5.401 -10.065 450 HB2 ASN 62 1HB ASN 62 -13.519 3.790 -9.487 451 HB3 ASN 62 2HB ASN 62 -13.516 5.542 -9.507 452 HD21 ASN 62 1HD2 ASN 62 -15.099 4.123 -11.206 453 HD22 ASN 62 2HD2 ASN 62 -14.563 4.287 -12.845 454 H THR 63 H THR 63 -11.287 2.905 -7.606 455 HA THR 63 HA THR 63 -11.603 4.921 -5.493 456 HB THR 63 HB THR 63 -12.047 2.757 -4.131 457 HG1 THR 63 1HG THR 63 -12.716 1.063 -5.883 458 HG21 THR 63 1HG2 THR 63 -13.773 3.672 -6.460 459 HG22 THR 63 2HG2 THR 63 -14.259 2.256 -5.497 460 HG23 THR 63 3HG2 THR 63 -14.079 3.845 -4.715 461 H ARG 64 H ARG 64 -9.118 4.505 -7.109 462 HA ARG 64 HA ARG 64 -7.435 3.373 -5.042 463 HB2 ARG 64 1HB ARG 64 -7.150 2.566 -7.408 464 HB3 ARG 64 2HB ARG 64 -6.755 4.197 -7.911 465 HG2 ARG 64 1HG ARG 64 -5.070 3.576 -5.664 466 HG3 ARG 64 2HG ARG 64 -5.013 2.198 -6.745 467 HD2 ARG 64 1HD ARG 64 -4.618 3.912 -8.660 468 HD3 ARG 64 2HD ARG 64 -4.342 5.098 -7.400 469 HE ARG 64 HE ARG 64 -2.248 4.143 -7.021 470 HH11 ARG 64 2HH2 ARG 64 -4.297 1.767 -8.616 471 HH12 ARG 64 1HH2 ARG 64 -3.030 0.598 -8.784 472 HH21 ARG 64 2HH1 ARG 64 -0.576 2.601 -7.243 473 HH22 ARG 64 1HH1 ARG 64 -0.899 1.076 -7.997 474 H VAL 65 H VAL 65 -5.653 4.604 -4.146 475 HA VAL 65 HA VAL 65 -5.795 7.479 -4.743 476 HB VAL 65 HB VAL 65 -6.814 6.741 -2.558 477 HG11 VAL 65 1HG1 VAL 65 -5.564 5.073 -1.611 478 HG12 VAL 65 2HG1 VAL 65 -4.019 5.752 -2.177 479 HG13 VAL 65 3HG1 VAL 65 -4.848 6.472 -0.776 480 HG21 VAL 65 1HG2 VAL 65 -5.914 8.600 -1.321 481 HG22 VAL 65 2HG2 VAL 65 -4.419 8.585 -2.287 482 HG23 VAL 65 3HG2 VAL 65 -5.963 9.047 -3.043 483 H THR 66 H THR 66 -3.719 8.651 -4.288 484 HA THR 66 HA THR 66 -1.406 6.851 -4.572 485 HB THR 66 HB THR 66 -2.025 9.433 -6.104 486 HG1 THR 66 1HG THR 66 -3.148 7.622 -6.969 487 HG21 THR 66 1HG2 THR 66 0.081 9.289 -7.083 488 HG22 THR 66 2HG2 THR 66 0.501 8.580 -5.506 489 HG23 THR 66 3HG2 THR 66 0.154 7.520 -6.894 490 H HIS 67 H HIS 67 -0.153 7.010 -2.830 491 HA HIS 67 HA HIS 67 0.224 9.703 -1.755 492 HB2 HIS 67 1HB HIS 67 -0.487 7.177 -0.282 493 HB3 HIS 67 2HB HIS 67 0.441 8.432 0.514 494 HD1 HIS 67 1HD HIS 67 -1.217 10.800 -1.043 495 HD2 HIS 67 2HD HIS 67 -2.758 7.690 1.313 496 HE1 HIS 67 1HE HIS 67 -3.498 11.591 -0.217 497 H TYR 68 H TYR 68 2.317 9.970 -0.594 498 HA TYR 68 HA TYR 68 4.293 7.979 -1.477 499 HB2 TYR 68 1HB TYR 68 4.457 11.056 -1.356 500 HB3 TYR 68 2HB TYR 68 5.753 10.012 -1.903 501 HD1 TYR 68 2HD TYR 68 5.290 8.538 -3.991 502 HD2 TYR 68 1HD TYR 68 2.882 11.896 -2.885 503 HE1 TYR 68 2HE TYR 68 4.401 8.692 -6.368 504 HE2 TYR 68 1HE TYR 68 2.001 12.039 -5.266 505 HH TYR 68 HH TYR 68 3.279 11.053 -7.720 506 H LEU 69 H LEU 69 5.793 7.363 0.047 507 HA LEU 69 HA LEU 69 5.793 8.915 2.540 508 HB2 LEU 69 1HB LEU 69 6.135 5.936 2.495 509 HB3 LEU 69 2HB LEU 69 5.738 6.986 3.840 510 HG LEU 69 HG LEU 69 3.831 6.638 1.530 511 HD11 LEU 69 1HD1 LEU 69 4.518 4.677 3.638 512 HD12 LEU 69 2HD1 LEU 69 2.782 4.979 3.390 513 HD13 LEU 69 3HD1 LEU 69 3.794 4.441 2.029 514 HD21 LEU 69 1HD2 LEU 69 2.149 7.277 3.166 515 HD22 LEU 69 2HD2 LEU 69 3.387 7.349 4.443 516 HD23 LEU 69 3HD2 LEU 69 3.440 8.500 3.086 517 HA PRO 70 HA PRO 70 10.090 8.859 2.156 518 HB2 PRO 70 1HB PRO 70 10.954 8.878 4.749 519 HB3 PRO 70 2HB PRO 70 10.367 10.308 3.924 520 HG2 PRO 70 1HG PRO 70 9.012 8.664 5.974 521 HG3 PRO 70 2HG PRO 70 8.643 10.297 5.457 522 HD2 PRO 70 1HD PRO 70 7.224 7.909 4.744 523 HD3 PRO 70 2HD PRO 70 6.927 9.525 4.136 524 H ASN 71 H ASN 71 12.257 7.805 2.919 525 HA ASN 71 HA ASN 71 11.742 5.027 2.502 526 HB2 ASN 71 1HB ASN 71 14.252 4.872 2.396 527 HB3 ASN 71 2HB ASN 71 13.623 6.101 1.317 528 HD21 ASN 71 1HD2 ASN 71 16.235 6.095 2.140 529 HD22 ASN 71 2HD2 ASN 71 16.561 7.449 3.170 530 H VAL 72 H VAL 72 11.082 6.564 5.121 531 HA VAL 72 HA VAL 72 12.705 4.905 6.926 532 HB VAL 72 HB VAL 72 12.452 6.604 8.594 533 HG11 VAL 72 1HG1 VAL 72 13.337 7.708 5.911 534 HG12 VAL 72 2HG1 VAL 72 13.612 8.534 7.464 535 HG13 VAL 72 3HG1 VAL 72 14.343 6.939 7.162 536 HG21 VAL 72 1HG2 VAL 72 11.343 8.815 7.190 537 HG22 VAL 72 2HG2 VAL 72 10.230 7.441 6.982 538 HG23 VAL 72 3HG2 VAL 72 10.693 7.973 8.617 539 H THR 73 H THR 73 9.572 5.694 5.628 540 HA THR 73 HA THR 73 8.261 4.255 7.830 541 HB THR 73 HB THR 73 7.276 6.179 5.664 542 HG1 THR 73 1HG THR 73 8.420 6.813 7.766 543 HG21 THR 73 1HG2 THR 73 5.509 4.462 6.125 544 HG22 THR 73 2HG2 THR 73 5.713 4.738 7.872 545 HG23 THR 73 3HG2 THR 73 5.076 6.036 6.834 546 H LEU 74 H LEU 74 7.334 2.293 7.564 547 HA LEU 74 HA LEU 74 7.293 1.269 4.812 548 HB2 LEU 74 1HB LEU 74 7.905 -0.448 7.199 549 HB3 LEU 74 2HB LEU 74 8.132 -0.806 5.499 550 HG LEU 74 HG LEU 74 9.683 1.419 6.808 551 HD11 LEU 74 1HD1 LEU 74 11.480 -0.140 7.342 552 HD12 LEU 74 2HD1 LEU 74 9.994 -0.552 8.231 553 HD13 LEU 74 3HD1 LEU 74 10.472 -1.507 6.807 554 HD21 LEU 74 1HD2 LEU 74 9.513 0.469 4.196 555 HD22 LEU 74 2HD2 LEU 74 10.759 1.549 4.867 556 HD23 LEU 74 3HD2 LEU 74 11.036 -0.209 4.819 557 H GLU 75 H GLU 75 5.485 2.327 7.381 558 HA GLU 75 HA GLU 75 3.341 0.517 6.614 559 HB2 GLU 75 1HB GLU 75 2.538 0.656 9.043 560 HB3 GLU 75 2HB GLU 75 3.957 -0.331 8.758 561 HG2 GLU 75 1HG GLU 75 4.655 2.490 9.274 562 HG3 GLU 75 2HG GLU 75 3.750 1.782 10.598 563 H TYR 76 H TYR 76 1.229 1.480 6.563 564 HA TYR 76 HA TYR 76 1.078 4.309 7.244 565 HB2 TYR 76 1HB TYR 76 1.822 3.999 4.811 566 HB3 TYR 76 2HB TYR 76 0.410 2.998 4.533 567 HD1 TYR 76 2HD TYR 76 -1.866 4.011 4.522 568 HD2 TYR 76 1HD TYR 76 1.663 6.407 4.861 569 HE1 TYR 76 2HE TYR 76 -3.202 6.082 3.895 570 HE2 TYR 76 1HE TYR 76 0.315 8.469 4.233 571 HH TYR 76 HH TYR 76 -1.635 9.094 3.196 572 H ARG 77 H ARG 77 -1.142 5.098 7.403 573 HA ARG 77 HA ARG 77 -2.915 2.884 7.977 574 HB2 ARG 77 1HB ARG 77 -2.366 4.772 9.680 575 HB3 ARG 77 2HB ARG 77 -3.355 5.821 8.684 576 HG2 ARG 77 1HG ARG 77 -4.634 3.216 9.348 577 HG3 ARG 77 2HG ARG 77 -4.311 4.229 10.740 578 HD2 ARG 77 1HD ARG 77 -5.376 5.941 8.688 579 HD3 ARG 77 2HD ARG 77 -6.396 4.518 8.748 580 HE ARG 77 HE ARG 77 -7.215 5.265 10.796 581 HH11 ARG 77 2HH2 ARG 77 -4.033 6.679 10.287 582 HH12 ARG 77 1HH2 ARG 77 -4.088 7.637 11.728 583 HH21 ARG 77 2HH1 ARG 77 -7.288 6.530 12.698 584 HH22 ARG 77 1HH1 ARG 77 -5.951 7.552 13.109 585 H VAL 78 H VAL 78 -4.597 2.435 6.582 586 HA VAL 78 HA VAL 78 -5.144 4.390 4.494 587 HB VAL 78 HB VAL 78 -5.876 1.478 4.851 588 HG11 VAL 78 1HG1 VAL 78 -6.576 3.450 2.664 589 HG12 VAL 78 2HG1 VAL 78 -6.560 1.690 2.395 590 HG13 VAL 78 3HG1 VAL 78 -7.663 2.396 3.601 591 HG21 VAL 78 1HG2 VAL 78 -3.451 2.212 4.315 592 HG22 VAL 78 2HG2 VAL 78 -4.205 0.962 3.297 593 HG23 VAL 78 3HG2 VAL 78 -4.093 2.639 2.711 594 H THR 79 H THR 79 -7.201 5.292 4.135 595 HA THR 79 HA THR 79 -9.360 4.543 5.916 596 HB THR 79 HB THR 79 -9.572 6.902 6.761 597 HG1 THR 79 1HG THR 79 -8.313 7.701 4.826 598 HG21 THR 79 1HG2 THR 79 -7.678 6.922 8.295 599 HG22 THR 79 2HG2 THR 79 -8.123 5.216 8.053 600 HG23 THR 79 3HG2 THR 79 -6.716 5.898 7.202 601 H GLY 80 H GLY 80 -11.429 5.475 5.280 602 HA2 GLY 80 1HA GLY 80 -12.846 6.494 3.787 603 HA3 GLY 80 2HA GLY 80 -11.500 6.859 2.725 604 H LEU 81 H LEU 81 -12.076 3.610 4.119 605 HA LEU 81 HA LEU 81 -12.422 2.627 1.394 606 HB2 LEU 81 1HB LEU 81 -12.045 0.873 3.785 607 HB3 LEU 81 2HB LEU 81 -11.594 0.599 2.115 608 HG LEU 81 HG LEU 81 -10.233 2.794 3.642 609 HD11 LEU 81 1HD1 LEU 81 -10.288 0.125 4.576 610 HD12 LEU 81 2HD1 LEU 81 -8.691 0.382 3.833 611 HD13 LEU 81 3HD1 LEU 81 -9.257 1.468 5.125 612 HD21 LEU 81 1HD2 LEU 81 -8.492 1.217 2.032 613 HD22 LEU 81 2HD2 LEU 81 -9.959 1.563 1.086 614 HD23 LEU 81 3HD2 LEU 81 -9.020 2.900 1.792 615 H THR 82 H THR 82 -13.681 0.113 2.418 616 HA THR 82 HA THR 82 -16.308 1.170 3.205 617 HB THR 82 HB THR 82 -15.922 -0.995 1.093 618 HG1 THR 82 1HG THR 82 -16.106 1.931 0.962 619 HG21 THR 82 1HG2 THR 82 -18.224 -0.834 1.824 620 HG22 THR 82 2HG2 THR 82 -18.146 0.943 1.890 621 HG23 THR 82 3HG2 THR 82 -18.133 0.109 0.317 622 H ALA 83 H ALA 83 -17.690 -0.337 4.310 623 HA ALA 83 HA ALA 83 -16.187 -1.998 6.060 624 HB1 ALA 83 1HB ALA 83 -18.660 -2.595 6.748 625 HB2 ALA 83 2HB ALA 83 -18.018 -0.966 7.071 626 HB3 ALA 83 3HB ALA 83 -19.081 -1.243 5.670 627 H LEU 84 H LEU 84 -16.116 -4.268 6.193 628 HA LEU 84 HA LEU 84 -15.795 -6.236 5.173 629 HB2 LEU 84 1HB LEU 84 -18.768 -5.903 4.753 630 HB3 LEU 84 2HB LEU 84 -17.892 -7.420 4.762 631 HG LEU 84 HG LEU 84 -18.420 -5.559 7.081 632 HD11 LEU 84 1HD1 LEU 84 -19.322 -7.700 8.072 633 HD12 LEU 84 2HD1 LEU 84 -20.235 -7.035 6.696 634 HD13 LEU 84 3HD1 LEU 84 -19.150 -8.426 6.456 635 HD21 LEU 84 1HD2 LEU 84 -17.082 -7.247 8.436 636 HD22 LEU 84 2HD2 LEU 84 -16.395 -7.791 6.887 637 HD23 LEU 84 3HD2 LEU 84 -16.157 -6.111 7.426 638 H THR 85 H THR 85 -14.660 -4.629 3.461 639 HA THR 85 HA THR 85 -15.686 -5.531 0.865 640 HB THR 85 HB THR 85 -14.988 -2.702 1.766 641 HG1 THR 85 1HG THR 85 -17.209 -3.076 1.762 642 HG21 THR 85 1HG2 THR 85 -15.638 -3.331 -1.108 643 HG22 THR 85 2HG2 THR 85 -14.682 -1.988 -0.437 644 HG23 THR 85 3HG2 THR 85 -13.960 -3.609 -0.581 645 H THR 86 H THR 86 -14.159 -6.209 -0.589 646 HA THR 86 HA THR 86 -11.551 -6.690 0.532 647 HB THR 86 HB THR 86 -12.673 -7.296 -2.252 648 HG1 THR 86 1HG THR 86 -14.029 -8.451 -0.907 649 HG21 THR 86 1HG2 THR 86 -10.651 -8.806 -0.520 650 HG22 THR 86 2HG2 THR 86 -11.108 -9.174 -2.200 651 HG23 THR 86 3HG2 THR 86 -10.177 -7.701 -1.833 652 H TYR 87 H TYR 87 -9.742 -5.530 0.296 653 HA TYR 87 HA TYR 87 -9.686 -3.601 -1.918 654 HB2 TYR 87 1HB TYR 87 -9.273 -3.353 1.095 655 HB3 TYR 87 2HB TYR 87 -8.313 -2.319 0.056 656 HD1 TYR 87 2HD TYR 87 -9.362 -0.533 -1.265 657 HD2 TYR 87 1HD TYR 87 -11.685 -3.030 1.318 658 HE1 TYR 87 2HE TYR 87 -11.296 1.112 -1.402 659 HE2 TYR 87 1HE TYR 87 -13.611 -1.376 1.172 660 HH TYR 87 HH TYR 87 -13.961 0.784 -1.109 661 H THR 88 H THR 88 -7.593 -3.148 -2.776 662 HA THR 88 HA THR 88 -5.518 -5.020 -1.838 663 HB THR 88 HB THR 88 -6.648 -4.367 -4.543 664 HG1 THR 88 1HG THR 88 -5.182 -6.529 -3.201 665 HG21 THR 88 1HG2 THR 88 -3.728 -5.196 -4.164 666 HG22 THR 88 2HG2 THR 88 -4.576 -4.906 -5.702 667 HG23 THR 88 3HG2 THR 88 -4.211 -3.543 -4.617 668 H ILE 89 H ILE 89 -3.923 -4.017 -0.800 669 HA ILE 89 HA ILE 89 -3.438 -1.220 -1.472 670 HB ILE 89 HB ILE 89 -2.171 -2.723 0.793 671 HG12 ILE 89 1HG1 ILE 89 -4.417 -3.302 1.167 672 HG13 ILE 89 2HG1 ILE 89 -4.128 -1.910 2.192 673 HG21 ILE 89 1HG2 ILE 89 -2.947 0.174 0.360 674 HG22 ILE 89 2HG2 ILE 89 -2.237 -0.489 1.852 675 HG23 ILE 89 3HG2 ILE 89 -1.305 -0.512 0.336 676 HD11 ILE 89 1HD1 ILE 89 -5.874 -0.870 1.198 677 HD12 ILE 89 2HD1 ILE 89 -4.956 -0.858 -0.326 678 HD13 ILE 89 3HD1 ILE 89 -6.052 -2.211 0.042 679 H GLU 90 H GLU 90 -1.827 -0.678 -2.834 680 HA GLU 90 HA GLU 90 0.184 -2.727 -3.304 681 HB2 GLU 90 1HB GLU 90 -0.512 -0.303 -5.020 682 HB3 GLU 90 2HB GLU 90 0.587 -1.596 -5.457 683 HG2 GLU 90 1HG GLU 90 -1.113 -2.986 -6.077 684 HG3 GLU 90 2HG GLU 90 -2.040 -2.639 -4.631 685 H VAL 91 H VAL 91 2.158 -2.432 -2.372 686 HA VAL 91 HA VAL 91 2.873 0.318 -1.636 687 HB VAL 91 HB VAL 91 3.748 -2.354 -0.521 688 HG11 VAL 91 1HG1 VAL 91 5.313 -1.334 0.784 689 HG12 VAL 91 2HG1 VAL 91 5.352 -0.198 -0.585 690 HG13 VAL 91 3HG1 VAL 91 4.409 0.196 0.872 691 HG21 VAL 91 1HG2 VAL 91 2.064 -0.150 0.719 692 HG22 VAL 91 2HG2 VAL 91 1.449 -1.698 0.090 693 HG23 VAL 91 3HG2 VAL 91 2.543 -1.679 1.494 694 H ALA 92 H ALA 92 4.323 1.287 -2.947 695 HA ALA 92 HA ALA 92 6.226 -0.474 -4.335 696 HB1 ALA 92 1HB ALA 92 5.352 0.421 -6.207 697 HB2 ALA 92 2HB ALA 92 4.398 1.599 -5.274 698 HB3 ALA 92 3HB ALA 92 6.083 1.967 -5.713 699 H ALA 93 H ALA 93 8.377 0.563 -4.781 700 HA ALA 93 HA ALA 93 9.058 2.357 -2.555 701 HB1 ALA 93 1HB ALA 93 10.041 0.061 -2.486 702 HB2 ALA 93 2HB ALA 93 10.817 0.376 -4.057 703 HB3 ALA 93 3HB ALA 93 11.275 1.336 -2.630 704 H MET 94 H MET 94 10.448 4.150 -2.978 705 HA MET 94 HA MET 94 10.735 4.709 -5.829 706 HB2 MET 94 1HB MET 94 10.046 6.603 -3.514 707 HB3 MET 94 2HB MET 94 10.417 7.159 -5.134 708 HG2 MET 94 1HG MET 94 8.497 5.794 -6.024 709 HG3 MET 94 2HG MET 94 8.115 5.287 -4.391 710 HE1 MET 94 1HE MET 94 7.393 8.522 -2.553 711 HE2 MET 94 2HE MET 94 6.369 7.081 -2.763 712 HE3 MET 94 3HE MET 94 8.123 6.899 -2.518 713 H THR 95 H THR 95 12.783 5.251 -6.511 714 HA THR 95 HA THR 95 14.734 5.898 -4.398 715 HB THR 95 HB THR 95 16.334 4.676 -6.083 716 HG1 THR 95 1HG THR 95 14.960 4.374 -7.858 717 HG21 THR 95 1HG2 THR 95 15.886 3.440 -4.073 718 HG22 THR 95 2HG2 THR 95 14.158 3.276 -4.467 719 HG23 THR 95 3HG2 THR 95 15.372 2.347 -5.380 720 H SER 96 H SER 96 16.897 6.507 -6.073 721 HA SER 96 HA SER 96 16.222 9.141 -6.690 722 HB2 SER 96 1HB SER 96 18.490 9.441 -6.960 723 HB3 SER 96 2HB SER 96 18.537 7.910 -6.109 724 HG SER 96 HG SER 96 19.344 6.956 -7.849 725 H LYS 97 H LYS 97 15.969 6.144 -8.443 726 HA LYS 97 HA LYS 97 16.081 7.417 -11.037 727 HB2 LYS 97 1HB LYS 97 15.709 4.575 -10.084 728 HB3 LYS 97 2HB LYS 97 15.453 5.025 -11.758 729 HG2 LYS 97 1HG LYS 97 17.997 5.969 -10.451 730 HG3 LYS 97 2HG LYS 97 17.873 4.261 -10.823 731 HD2 LYS 97 1HD LYS 97 18.889 5.404 -12.730 732 HD3 LYS 97 2HD LYS 97 17.302 4.832 -13.202 733 HE2 LYS 97 1HE LYS 97 16.334 7.035 -13.025 734 HE3 LYS 97 2HE LYS 97 17.714 7.657 -12.142 735 HZ1 LYS 97 1HZ LYS 97 18.320 8.332 -14.162 736 HZ2 LYS 97 2HZ LYS 97 18.866 6.806 -14.367 737 HZ3 LYS 97 3HZ LYS 97 17.407 7.238 -14.960 738 H GLY 98 H GLY 98 13.649 5.689 -8.969 739 HA2 GLY 98 1HA GLY 98 11.571 7.429 -9.297 740 HA3 GLY 98 2HA GLY 98 11.481 6.397 -10.710 741 H GLN 99 H GLN 99 9.708 5.102 -10.261 742 HA GLN 99 HA GLN 99 9.727 3.786 -7.667 743 HB2 GLN 99 1HB GLN 99 7.685 5.088 -8.282 744 HB3 GLN 99 2HB GLN 99 7.465 4.074 -9.694 745 HG2 GLN 99 1HG GLN 99 7.678 2.148 -7.743 746 HG3 GLN 99 2HG GLN 99 6.967 3.452 -6.813 747 HE21 GLN 99 1HE2 GLN 99 4.867 3.406 -6.719 748 HE22 GLN 99 2HE2 GLN 99 3.765 2.858 -7.938 749 H GLY 100 H GLY 100 9.596 1.490 -7.504 750 HA2 GLY 100 1HA GLY 100 10.199 0.081 -10.034 751 HA3 GLY 100 2HA GLY 100 10.840 -0.350 -8.461 752 H GLN 101 H GLN 101 9.954 -2.527 -8.767 753 HA GLN 101 HA GLN 101 7.445 -3.193 -9.384 754 HB2 GLN 101 1HB GLN 101 9.577 -4.579 -8.531 755 HB3 GLN 101 2HB GLN 101 8.685 -4.594 -7.023 756 HG2 GLN 101 1HG GLN 101 7.016 -5.961 -7.854 757 HG3 GLN 101 2HG GLN 101 7.073 -5.247 -9.453 758 HE21 GLN 101 1HE2 GLN 101 7.288 -8.050 -8.150 759 HE22 GLN 101 2HE2 GLN 101 8.589 -8.817 -8.998 760 H VAL 102 H VAL 102 5.672 -4.109 -7.810 761 HA VAL 102 HA VAL 102 5.435 -2.436 -5.432 762 HB VAL 102 HB VAL 102 4.296 -1.566 -7.677 763 HG11 VAL 102 1HG1 VAL 102 1.920 -2.989 -6.544 764 HG12 VAL 102 2HG1 VAL 102 2.223 -2.399 -8.196 765 HG13 VAL 102 3HG1 VAL 102 3.005 -3.893 -7.626 766 HG21 VAL 102 1HG2 VAL 102 4.201 -0.835 -5.103 767 HG22 VAL 102 2HG2 VAL 102 3.159 -0.101 -6.345 768 HG23 VAL 102 3HG2 VAL 102 2.517 -1.381 -5.287 769 H SER 103 H SER 103 4.047 -3.348 -3.806 770 HA SER 103 HA SER 103 3.501 -6.162 -4.345 771 HB2 SER 103 1HB SER 103 4.575 -4.701 -1.955 772 HB3 SER 103 2HB SER 103 3.516 -6.059 -1.632 773 HG SER 103 HG SER 103 6.018 -6.050 -3.070 774 H ALA 104 H ALA 104 1.328 -6.249 -4.895 775 HA ALA 104 HA ALA 104 -0.517 -4.634 -3.296 776 HB1 ALA 104 1HB ALA 104 -1.863 -4.551 -5.153 777 HB2 ALA 104 2HB ALA 104 -0.309 -4.823 -5.977 778 HB3 ALA 104 3HB ALA 104 -1.413 -6.188 -5.687 779 H SER 105 H SER 105 -1.491 -5.619 -1.604 780 HA SER 105 HA SER 105 -1.878 -8.500 -1.860 781 HB2 SER 105 1HB SER 105 -0.522 -6.987 0.172 782 HB3 SER 105 2HB SER 105 -1.974 -7.645 0.899 783 HG SER 105 HG SER 105 0.259 -9.017 -0.252 784 H THR 106 H THR 106 -3.980 -9.255 -1.609 785 HA THR 106 HA THR 106 -6.060 -7.285 -1.417 786 HB THR 106 HB THR 106 -6.647 -10.225 -1.327 787 HG1 THR 106 1HG THR 106 -5.301 -8.768 -3.494 788 HG21 THR 106 1HG2 THR 106 -7.777 -9.394 -3.590 789 HG22 THR 106 2HG2 THR 106 -8.521 -8.960 -2.032 790 HG23 THR 106 3HG2 THR 106 -7.512 -7.775 -2.897 791 H ILE 107 H ILE 107 -7.182 -6.628 0.313 792 HA ILE 107 HA ILE 107 -7.254 -8.375 2.634 793 HB ILE 107 HB ILE 107 -5.279 -7.079 3.038 794 HG12 ILE 107 1HG1 ILE 107 -6.192 -5.685 5.069 795 HG13 ILE 107 2HG1 ILE 107 -7.724 -6.432 4.660 796 HG21 ILE 107 1HG2 ILE 107 -5.065 -5.096 2.054 797 HG22 ILE 107 2HG2 ILE 107 -6.823 -4.939 1.819 798 HG23 ILE 107 3HG2 ILE 107 -6.082 -4.435 3.357 799 HD11 ILE 107 1HD1 ILE 107 -5.199 -8.099 4.961 800 HD12 ILE 107 2HD1 ILE 107 -6.211 -7.673 6.362 801 HD13 ILE 107 3HD1 ILE 107 -6.894 -8.638 5.031 802 H SER 108 H SER 108 -9.274 -8.417 3.490 803 HA SER 108 HA SER 108 -11.106 -6.434 2.432 804 HB2 SER 108 1HB SER 108 -11.522 -8.962 2.223 805 HB3 SER 108 2HB SER 108 -11.792 -8.981 3.954 806 HG SER 108 HG SER 108 -13.251 -6.953 2.773 807 H SER 109 H SER 109 -11.912 -4.822 3.742 808 HA SER 109 HA SER 109 -10.918 -4.144 6.087 809 HB2 SER 109 1HB SER 109 -13.006 -2.869 6.512 810 HB3 SER 109 2HB SER 109 -12.502 -2.746 4.838 811 HG SER 109 HG SER 109 -14.716 -3.174 4.813 812 H GLY 110 H GLY 110 -11.600 -4.321 8.373 813 HA2 GLY 110 1HA GLY 110 -12.127 -6.974 9.161 814 HA3 GLY 110 2HA GLY 110 -12.096 -5.553 10.187 815 H VAL 111 H VAL 111 -14.056 -4.303 10.534 816 HA VAL 111 HA VAL 111 -16.478 -4.859 9.296 817 HB VAL 111 HB VAL 111 -16.302 -7.062 10.265 818 HG11 VAL 111 1HG1 VAL 111 -14.765 -6.562 12.110 819 HG12 VAL 111 2HG1 VAL 111 -16.052 -5.667 12.952 820 HG13 VAL 111 3HG1 VAL 111 -16.209 -7.422 12.697 821 HG21 VAL 111 1HG2 VAL 111 -18.537 -6.300 10.132 822 HG22 VAL 111 2HG2 VAL 111 -18.373 -6.996 11.762 823 HG23 VAL 111 3HG2 VAL 111 -18.345 -5.230 11.541 824 HA PRO 112 HA PRO 112 -17.142 -1.240 11.577 825 HB2 PRO 112 1HB PRO 112 -19.769 -0.783 10.980 826 HB3 PRO 112 2HB PRO 112 -18.453 -0.352 9.906 827 HG2 PRO 112 1HG PRO 112 -20.362 -2.598 9.690 828 HG3 PRO 112 2HG PRO 112 -19.338 -1.904 8.448 829 HD2 PRO 112 1HD PRO 112 -18.900 -4.364 9.856 830 HD3 PRO 112 2HD PRO 112 -17.820 -3.612 8.699 831 HA PRO 113 HA PRO 113 -18.630 -2.678 15.322 832 HB2 PRO 113 1HB PRO 113 -17.813 -0.599 16.897 833 HB3 PRO 113 2HB PRO 113 -16.775 -1.946 16.473 834 HG2 PRO 113 1HG PRO 113 -16.747 0.818 15.424 835 HG3 PRO 113 2HG PRO 113 -15.489 -0.399 15.344 836 HD2 PRO 113 1HD PRO 113 -17.243 0.399 13.219 837 HD3 PRO 113 2HD PRO 113 -16.064 -0.897 13.174 838 H SER 114 H SER 114 -19.600 -1.103 17.414 839 HA SER 114 HA SER 114 -21.287 0.182 17.999 840 HB2 SER 114 1HB SER 114 -20.814 1.371 15.651 841 HB3 SER 114 2HB SER 114 -22.314 0.589 15.192 842 HG SER 114 HG SER 114 -21.860 2.710 17.008 843 H GLY 115 H GLY 115 -22.232 -1.715 18.933 844 HA2 GLY 115 1HA GLY 115 -24.654 -2.467 18.758 845 HA3 GLY 115 2HA GLY 115 -24.159 -3.158 17.226 846 HA PRO 116 HA PRO 116 -23.348 -6.465 20.119 847 HB2 PRO 116 1HB PRO 116 -24.082 -8.514 18.466 848 HB3 PRO 116 2HB PRO 116 -25.196 -7.720 19.561 849 HG2 PRO 116 1HG PRO 116 -24.969 -7.443 16.627 850 HG3 PRO 116 2HG PRO 116 -26.309 -7.009 17.670 851 HD2 PRO 116 1HD PRO 116 -24.401 -5.219 16.492 852 HD3 PRO 116 2HD PRO 116 -25.670 -4.801 17.627 853 H SER 117 H SER 117 -21.730 -8.100 20.347 854 HA SER 117 HA SER 117 -19.913 -8.058 18.078 855 HB2 SER 117 1HB SER 117 -18.013 -7.580 19.416 856 HB3 SER 117 2HB SER 117 -19.228 -6.445 19.971 857 HG SER 117 HG SER 117 -18.087 -7.532 21.729 858 H SER 118 H SER 118 -19.104 -10.093 17.566 859 HA SER 118 HA SER 118 -18.816 -12.077 19.538 860 HB2 SER 118 1HB SER 118 -21.262 -12.247 19.288 861 HB3 SER 118 2HB SER 118 -21.106 -12.390 17.548 862 HG SER 118 HG SER 118 -20.731 -14.322 19.549 863 H GLY 119 H GLY 119 -16.704 -12.306 18.699 864 HA2 GLY 119 1HA GLY 119 -16.297 -12.646 15.855 865 HA3 GLY 119 2HA GLY 119 -15.087 -12.647 17.123 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.464 -13.184 -11.203 2 HA2 GLY 1 1HA GLY 1 -10.898 -14.818 -9.101 3 HA3 GLY 1 2HA GLY 1 -12.438 -13.997 -9.255 4 H SER 2 H SER 2 -13.336 -16.156 -9.799 5 HA SER 2 HA SER 2 -12.436 -17.497 -12.084 6 HB2 SER 2 1HB SER 2 -13.617 -18.828 -10.534 7 HB3 SER 2 2HB SER 2 -14.893 -17.644 -10.330 8 HG SER 2 HG SER 2 -15.682 -18.150 -12.448 9 H SER 3 H SER 3 -12.359 -16.083 -13.893 10 HA SER 3 HA SER 3 -14.927 -15.604 -15.061 11 HB2 SER 3 1HB SER 3 -14.268 -13.541 -13.619 12 HB3 SER 3 2HB SER 3 -13.028 -13.243 -14.822 13 HG SER 3 HG SER 3 -14.827 -12.061 -15.475 14 H GLY 4 H GLY 4 -11.433 -14.602 -15.352 15 HA2 GLY 4 1HA GLY 4 -10.279 -16.072 -17.090 16 HA3 GLY 4 2HA GLY 4 -11.513 -15.459 -18.173 17 H SER 5 H SER 5 -11.149 -13.542 -19.238 18 HA SER 5 HA SER 5 -10.224 -11.673 -19.836 19 HB2 SER 5 1HB SER 5 -9.970 -11.544 -16.881 20 HB3 SER 5 2HB SER 5 -8.831 -10.521 -17.734 21 HG SER 5 HG SER 5 -10.463 -9.149 -17.905 22 H SER 6 H SER 6 -8.026 -10.581 -20.253 23 HA SER 6 HA SER 6 -5.792 -12.272 -19.585 24 HB2 SER 6 1HB SER 6 -7.067 -12.670 -22.014 25 HB3 SER 6 2HB SER 6 -5.824 -11.517 -22.456 26 HG SER 6 HG SER 6 -5.504 -14.123 -22.182 27 H GLY 7 H GLY 7 -3.664 -11.176 -20.276 28 HA2 GLY 7 1HA GLY 7 -3.798 -8.384 -20.980 29 HA3 GLY 7 2HA GLY 7 -3.400 -8.663 -19.297 30 HA PRO 8 HA PRO 8 0.328 -9.239 -22.001 31 HB2 PRO 8 1HB PRO 8 1.570 -6.818 -21.750 32 HB3 PRO 8 2HB PRO 8 0.576 -7.247 -23.128 33 HG2 PRO 8 1HG PRO 8 -0.064 -5.453 -20.868 34 HG3 PRO 8 2HG PRO 8 -0.841 -5.565 -22.435 35 HD2 PRO 8 1HD PRO 8 -1.830 -6.603 -19.951 36 HD3 PRO 8 2HD PRO 8 -2.548 -6.815 -21.535 37 H GLN 9 H GLN 9 2.546 -9.606 -21.372 38 HA GLN 9 HA GLN 9 2.647 -9.567 -18.460 39 HB2 GLN 9 1HB GLN 9 4.434 -11.395 -18.833 40 HB3 GLN 9 2HB GLN 9 2.767 -11.830 -19.155 41 HG2 GLN 9 1HG GLN 9 4.361 -10.694 -21.444 42 HG3 GLN 9 2HG GLN 9 4.752 -12.321 -20.924 43 HE21 GLN 9 1HE2 GLN 9 3.764 -11.814 -23.420 44 HE22 GLN 9 2HE2 GLN 9 2.168 -12.463 -23.599 45 H LEU 10 H LEU 10 3.932 -8.199 -21.349 46 HA LEU 10 HA LEU 10 5.647 -6.880 -21.794 47 HB2 LEU 10 1HB LEU 10 4.493 -5.888 -19.605 48 HB3 LEU 10 2HB LEU 10 6.075 -6.214 -18.925 49 HG LEU 10 HG LEU 10 6.611 -4.907 -21.347 50 HD11 LEU 10 1HD1 LEU 10 3.983 -4.338 -20.855 51 HD12 LEU 10 2HD1 LEU 10 4.806 -2.986 -20.041 52 HD13 LEU 10 3HD1 LEU 10 5.106 -3.301 -21.767 53 HD21 LEU 10 1HD2 LEU 10 6.564 -3.871 -18.500 54 HD22 LEU 10 2HD2 LEU 10 7.921 -4.664 -19.336 55 HD23 LEU 10 3HD2 LEU 10 7.360 -3.062 -19.872 56 H VAL 11 H VAL 11 8.097 -6.297 -20.876 57 HA VAL 11 HA VAL 11 9.265 -8.949 -20.389 58 HB VAL 11 HB VAL 11 9.631 -7.902 -22.635 59 HG11 VAL 11 1HG1 VAL 11 11.502 -5.982 -21.241 60 HG12 VAL 11 2HG1 VAL 11 10.943 -5.973 -22.931 61 HG13 VAL 11 3HG1 VAL 11 9.819 -5.543 -21.618 62 HG21 VAL 11 1HG2 VAL 11 12.255 -8.133 -21.161 63 HG22 VAL 11 2HG2 VAL 11 11.197 -9.546 -21.395 64 HG23 VAL 11 3HG2 VAL 11 11.837 -8.669 -22.806 65 H ARG 12 H ARG 12 11.267 -8.978 -19.084 66 HA ARG 12 HA ARG 12 10.976 -7.100 -16.943 67 HB2 ARG 12 1HB ARG 12 11.803 -9.817 -17.184 68 HB3 ARG 12 2HB ARG 12 13.234 -8.948 -16.665 69 HG2 ARG 12 1HG ARG 12 12.282 -9.341 -14.587 70 HG3 ARG 12 2HG ARG 12 11.518 -7.806 -14.948 71 HD2 ARG 12 1HD ARG 12 9.436 -8.749 -15.180 72 HD3 ARG 12 2HD ARG 12 10.050 -10.130 -16.067 73 HE ARG 12 HE ARG 12 10.755 -10.130 -13.211 74 HH11 ARG 12 2HH2 ARG 12 8.406 -11.134 -15.632 75 HH12 ARG 12 1HH2 ARG 12 7.750 -12.404 -14.654 76 HH21 ARG 12 2HH1 ARG 12 9.890 -11.806 -11.920 77 HH22 ARG 12 1HH1 ARG 12 8.600 -12.789 -12.528 78 H THR 13 H THR 13 13.882 -8.496 -18.648 79 HA THR 13 HA THR 13 15.864 -7.605 -19.144 80 HB THR 13 HB THR 13 14.202 -6.475 -20.772 81 HG1 THR 13 1HG THR 13 16.486 -4.842 -19.971 82 HG21 THR 13 1HG2 THR 13 13.088 -4.742 -19.617 83 HG22 THR 13 2HG2 THR 13 14.519 -4.349 -18.634 84 HG23 THR 13 3HG2 THR 13 14.447 -3.848 -20.340 85 H HIS 14 H HIS 14 17.519 -5.836 -18.671 86 HA HIS 14 HA HIS 14 17.896 -5.657 -15.998 87 HB2 HIS 14 1HB HIS 14 18.895 -4.045 -18.326 88 HB3 HIS 14 2HB HIS 14 19.330 -3.565 -16.698 89 HD1 HIS 14 1HD HIS 14 19.441 -6.769 -18.816 90 HD2 HIS 14 2HD HIS 14 21.583 -4.808 -15.790 91 HE1 HIS 14 1HE HIS 14 21.531 -8.170 -18.397 92 H GLU 15 H GLU 15 17.306 -4.300 -14.315 93 HA GLU 15 HA GLU 15 15.657 -2.025 -15.066 94 HB2 GLU 15 1HB GLU 15 14.085 -3.770 -14.433 95 HB3 GLU 15 2HB GLU 15 14.998 -4.152 -12.987 96 HG2 GLU 15 1HG GLU 15 14.123 -2.390 -11.804 97 HG3 GLU 15 2HG GLU 15 14.216 -1.294 -13.169 98 H ASP 16 H ASP 16 15.978 -0.164 -13.807 99 HA ASP 16 HA ASP 16 18.294 -0.289 -12.135 100 HB2 ASP 16 1HB ASP 16 17.635 1.570 -13.851 101 HB3 ASP 16 2HB ASP 16 16.519 2.135 -12.623 102 H VAL 17 H VAL 17 14.962 1.187 -11.857 103 HA VAL 17 HA VAL 17 14.909 1.727 -9.218 104 HB VAL 17 HB VAL 17 12.401 1.081 -9.458 105 HG11 VAL 17 1HG1 VAL 17 12.013 3.125 -10.855 106 HG12 VAL 17 2HG1 VAL 17 13.152 3.369 -9.510 107 HG13 VAL 17 3HG1 VAL 17 13.764 3.184 -11.171 108 HG21 VAL 17 1HG2 VAL 17 12.956 -0.437 -11.455 109 HG22 VAL 17 2HG2 VAL 17 11.559 0.654 -11.615 110 HG23 VAL 17 3HG2 VAL 17 13.104 1.065 -12.398 111 HA PRO 18 HA PRO 18 14.845 -1.993 -7.020 112 HB2 PRO 18 1HB PRO 18 13.124 -1.523 -4.949 113 HB3 PRO 18 2HB PRO 18 14.771 -0.924 -4.982 114 HG2 PRO 18 1HG PRO 18 12.251 0.557 -5.424 115 HG3 PRO 18 2HG PRO 18 13.840 1.185 -5.034 116 HD2 PRO 18 1HD PRO 18 12.568 1.214 -7.604 117 HD3 PRO 18 2HD PRO 18 14.200 1.736 -7.237 118 H GLY 19 H GLY 19 13.352 -3.720 -5.820 119 HA2 GLY 19 1HA GLY 19 11.350 -4.361 -7.884 120 HA3 GLY 19 2HA GLY 19 12.167 -5.500 -6.832 121 HA PRO 20 HA PRO 20 8.222 -4.811 -4.813 122 HB2 PRO 20 1HB PRO 20 7.764 -7.412 -4.110 123 HB3 PRO 20 2HB PRO 20 7.185 -6.708 -5.606 124 HG2 PRO 20 1HG PRO 20 9.438 -8.574 -5.186 125 HG3 PRO 20 2HG PRO 20 8.586 -8.199 -6.671 126 HD2 PRO 20 1HD PRO 20 11.176 -7.245 -5.891 127 HD3 PRO 20 2HD PRO 20 10.274 -6.779 -7.320 128 H VAL 21 H VAL 21 7.929 -4.091 -2.788 129 HA VAL 21 HA VAL 21 10.068 -4.154 -1.045 130 HB VAL 21 HB VAL 21 8.201 -3.597 0.657 131 HG11 VAL 21 1HG1 VAL 21 8.055 -1.321 -0.180 132 HG12 VAL 21 2HG1 VAL 21 9.692 -1.960 -0.468 133 HG13 VAL 21 3HG1 VAL 21 8.528 -1.857 -1.811 134 HG21 VAL 21 1HG2 VAL 21 6.378 -2.790 -1.456 135 HG22 VAL 21 2HG2 VAL 21 6.586 -4.557 -1.425 136 HG23 VAL 21 3HG2 VAL 21 6.056 -3.697 0.041 137 H GLY 22 H GLY 22 9.303 -4.993 1.456 138 HA2 GLY 22 1HA GLY 22 9.844 -7.756 1.362 139 HA3 GLY 22 2HA GLY 22 9.372 -6.820 2.766 140 H HIS 23 H HIS 23 7.774 -8.054 3.718 141 HA HIS 23 HA HIS 23 5.645 -9.002 1.957 142 HB2 HIS 23 1HB HIS 23 5.616 -9.903 4.752 143 HB3 HIS 23 2HB HIS 23 5.447 -10.818 3.266 144 HD1 HIS 23 1HD HIS 23 7.330 -12.387 2.805 145 HD2 HIS 23 2HD HIS 23 8.540 -9.130 5.155 146 HE1 HIS 23 1HE HIS 23 9.780 -12.796 3.386 147 H LEU 24 H LEU 24 3.989 -7.576 1.768 148 HA LEU 24 HA LEU 24 3.548 -5.449 3.467 149 HB2 LEU 24 1HB LEU 24 2.330 -6.657 1.165 150 HB3 LEU 24 2HB LEU 24 1.081 -6.193 2.304 151 HG LEU 24 HG LEU 24 2.472 -3.915 2.350 152 HD11 LEU 24 1HD1 LEU 24 2.839 -4.068 -0.491 153 HD12 LEU 24 2HD1 LEU 24 4.015 -3.655 0.780 154 HD13 LEU 24 3HD1 LEU 24 3.785 -5.353 0.298 155 HD21 LEU 24 1HD2 LEU 24 0.076 -4.251 1.763 156 HD22 LEU 24 2HD2 LEU 24 0.885 -2.990 0.802 157 HD23 LEU 24 3HD2 LEU 24 0.574 -4.590 0.088 158 H SER 25 H SER 25 1.839 -5.035 5.044 159 HA SER 25 HA SER 25 0.691 -7.428 6.185 160 HB2 SER 25 1HB SER 25 2.972 -6.704 7.303 161 HB3 SER 25 2HB SER 25 2.019 -5.427 8.032 162 HG SER 25 HG SER 25 1.842 -8.261 8.409 163 H PHE 26 H PHE 26 -1.114 -6.893 7.736 164 HA PHE 26 HA PHE 26 -2.038 -4.135 7.511 165 HB2 PHE 26 1HB PHE 26 -3.613 -6.710 6.902 166 HB3 PHE 26 2HB PHE 26 -4.321 -5.107 6.924 167 HD1 PHE 26 2HD PHE 26 -2.113 -3.613 5.513 168 HD2 PHE 26 1HD PHE 26 -3.968 -7.335 4.668 169 HE1 PHE 26 2HE PHE 26 -1.561 -3.336 3.080 170 HE2 PHE 26 1HE PHE 26 -3.417 -7.057 2.235 171 HZ PHE 26 HZ PHE 26 -2.220 -5.061 1.470 172 H SER 27 H SER 27 -2.678 -3.383 9.476 173 HA SER 27 HA SER 27 -3.743 -5.344 11.333 174 HB2 SER 27 1HB SER 27 -1.513 -3.348 11.888 175 HB3 SER 27 2HB SER 27 -2.449 -4.083 13.174 176 HG SER 27 HG SER 27 -1.498 -6.014 12.844 177 H GLU 28 H GLU 28 -4.595 -3.953 13.412 178 HA GLU 28 HA GLU 28 -6.314 -2.720 13.992 179 HB2 GLU 28 1HB GLU 28 -4.484 -0.642 12.726 180 HB3 GLU 28 2HB GLU 28 -5.896 -0.206 13.667 181 HG2 GLU 28 1HG GLU 28 -4.357 -2.198 15.125 182 HG3 GLU 28 2HG GLU 28 -3.292 -0.896 14.634 183 H ILE 29 H ILE 29 -7.140 -4.087 11.803 184 HA ILE 29 HA ILE 29 -8.108 -2.226 9.815 185 HB ILE 29 HB ILE 29 -8.678 -5.175 10.055 186 HG12 ILE 29 1HG1 ILE 29 -6.187 -3.759 9.222 187 HG13 ILE 29 2HG1 ILE 29 -6.389 -5.300 10.032 188 HG21 ILE 29 1HG2 ILE 29 -8.399 -3.788 7.445 189 HG22 ILE 29 2HG2 ILE 29 -9.507 -5.086 7.952 190 HG23 ILE 29 3HG2 ILE 29 -9.841 -3.400 8.413 191 HD11 ILE 29 1HD1 ILE 29 -6.455 -4.666 7.105 192 HD12 ILE 29 2HD1 ILE 29 -5.820 -6.102 7.944 193 HD13 ILE 29 3HD1 ILE 29 -7.571 -5.931 7.674 194 H LEU 30 H LEU 30 -10.157 -1.395 9.678 195 HA LEU 30 HA LEU 30 -12.013 -2.292 11.772 196 HB2 LEU 30 1HB LEU 30 -11.590 0.463 10.610 197 HB3 LEU 30 2HB LEU 30 -12.930 0.028 11.651 198 HG LEU 30 HG LEU 30 -11.286 1.143 12.974 199 HD11 LEU 30 1HD1 LEU 30 -10.761 -1.705 13.744 200 HD12 LEU 30 2HD1 LEU 30 -11.170 -0.301 14.759 201 HD13 LEU 30 3HD1 LEU 30 -12.428 -1.081 13.770 202 HD21 LEU 30 1HD2 LEU 30 -8.997 0.665 13.070 203 HD22 LEU 30 2HD2 LEU 30 -9.196 -0.918 12.281 204 HD23 LEU 30 3HD2 LEU 30 -9.395 0.579 11.337 205 H ASP 31 H ASP 31 -13.594 -0.062 9.904 206 HA ASP 31 HA ASP 31 -14.657 -2.201 8.241 207 HB2 ASP 31 1HB ASP 31 -16.647 -0.525 8.056 208 HB3 ASP 31 2HB ASP 31 -16.439 -1.396 9.562 209 H THR 32 H THR 32 -13.193 1.026 8.392 210 HA THR 32 HA THR 32 -12.893 1.025 5.506 211 HB THR 32 HB THR 32 -13.947 3.197 5.213 212 HG1 THR 32 1HG THR 32 -14.100 2.961 8.135 213 HG21 THR 32 1HG2 THR 32 -15.749 1.744 7.212 214 HG22 THR 32 2HG2 THR 32 -16.252 2.835 5.899 215 HG23 THR 32 3HG2 THR 32 -15.584 1.230 5.516 216 H SER 33 H SER 33 -11.295 0.732 8.106 217 HA SER 33 HA SER 33 -9.248 2.549 7.227 218 HB2 SER 33 1HB SER 33 -8.804 3.135 9.725 219 HB3 SER 33 2HB SER 33 -10.088 3.986 8.890 220 HG SER 33 HG SER 33 -10.897 3.289 10.900 221 H LEU 34 H LEU 34 -7.239 1.543 7.325 222 HA LEU 34 HA LEU 34 -6.778 -0.528 9.263 223 HB2 LEU 34 1HB LEU 34 -6.393 -2.314 7.755 224 HB3 LEU 34 2HB LEU 34 -8.017 -1.709 7.491 225 HG LEU 34 HG LEU 34 -7.084 -0.391 5.522 226 HD11 LEU 34 1HD1 LEU 34 -4.941 -1.837 4.686 227 HD12 LEU 34 2HD1 LEU 34 -4.841 -0.260 5.506 228 HD13 LEU 34 3HD1 LEU 34 -4.636 -1.763 6.438 229 HD21 LEU 34 1HD2 LEU 34 -6.629 -3.213 4.810 230 HD22 LEU 34 2HD2 LEU 34 -8.144 -2.898 5.689 231 HD23 LEU 34 3HD2 LEU 34 -7.799 -2.033 4.172 232 H LYS 35 H LYS 35 -4.528 -0.967 9.532 233 HA LYS 35 HA LYS 35 -2.884 1.147 8.401 234 HB2 LYS 35 1HB LYS 35 -3.029 0.597 10.895 235 HB3 LYS 35 2HB LYS 35 -2.113 -0.852 10.535 236 HG2 LYS 35 1HG LYS 35 -1.109 1.828 9.538 237 HG3 LYS 35 2HG LYS 35 -0.854 1.384 11.214 238 HD2 LYS 35 1HD LYS 35 -0.168 -0.736 9.221 239 HD3 LYS 35 2HD LYS 35 0.844 0.695 9.164 240 HE2 LYS 35 1HE LYS 35 1.854 0.210 11.162 241 HE3 LYS 35 2HE LYS 35 0.341 -0.230 11.930 242 HZ1 LYS 35 1HZ LYS 35 1.957 -2.064 11.587 243 HZ2 LYS 35 2HZ LYS 35 0.463 -2.363 11.000 244 HZ3 LYS 35 3HZ LYS 35 1.677 -1.968 9.981 245 H VAL 36 H VAL 36 -1.170 0.814 7.006 246 HA VAL 36 HA VAL 36 -0.906 -1.951 6.048 247 HB VAL 36 HB VAL 36 -0.628 0.722 4.675 248 HG11 VAL 36 1HG1 VAL 36 0.233 -0.320 2.734 249 HG12 VAL 36 2HG1 VAL 36 1.211 -0.951 4.080 250 HG13 VAL 36 3HG1 VAL 36 -0.078 -1.953 3.370 251 HG21 VAL 36 1HG2 VAL 36 -2.457 0.053 3.338 252 HG22 VAL 36 2HG2 VAL 36 -2.329 -1.644 3.862 253 HG23 VAL 36 3HG2 VAL 36 -2.906 -0.402 4.999 254 H SER 37 H SER 37 1.159 -2.861 5.844 255 HA SER 37 HA SER 37 3.370 -1.153 6.597 256 HB2 SER 37 1HB SER 37 3.422 -2.031 8.685 257 HB3 SER 37 2HB SER 37 2.206 -3.230 8.289 258 HG SER 37 HG SER 37 3.814 -4.635 8.431 259 H TRP 38 H TRP 38 5.513 -2.164 6.027 260 HA TRP 38 HA TRP 38 5.491 -4.567 4.479 261 HB2 TRP 38 1HB TRP 38 6.230 -3.562 2.377 262 HB3 TRP 38 2HB TRP 38 4.577 -3.142 2.782 263 HD1 TRP 38 HD TRP 38 8.056 -1.523 2.448 264 HE1 TRP 38 1HE TRP 38 7.884 1.109 2.351 265 HE3 TRP 38 3HE TRP 38 3.097 -1.283 3.547 266 HZ2 TRP 38 2HZ TRP 38 5.741 2.954 2.735 267 HZ3 TRP 38 3HZ TRP 38 2.042 0.973 3.666 268 HH2 TRP 38 HH TRP 38 3.280 3.045 3.281 269 H GLN 39 H GLN 39 7.891 -4.624 3.367 270 HA GLN 39 HA GLN 39 9.675 -3.456 5.358 271 HB2 GLN 39 1HB GLN 39 9.237 -6.249 4.675 272 HB3 GLN 39 2HB GLN 39 10.894 -5.810 4.312 273 HG2 GLN 39 1HG GLN 39 10.657 -4.601 6.743 274 HG3 GLN 39 2HG GLN 39 9.482 -5.883 6.960 275 HE21 GLN 39 1HE2 GLN 39 12.787 -5.026 6.729 276 HE22 GLN 39 2HE2 GLN 39 13.497 -6.588 6.969 277 H GLU 40 H GLU 40 12.140 -3.895 4.343 278 HA GLU 40 HA GLU 40 12.098 -2.235 2.038 279 HB2 GLU 40 1HB GLU 40 13.974 -2.961 4.111 280 HB3 GLU 40 2HB GLU 40 14.739 -3.239 2.559 281 HG2 GLU 40 1HG GLU 40 14.460 -0.968 1.871 282 HG3 GLU 40 2HG GLU 40 13.229 -0.656 3.078 283 HA PRO 41 HA PRO 41 12.415 -5.438 -0.884 284 HB2 PRO 41 1HB PRO 41 13.194 -4.003 -3.076 285 HB3 PRO 41 2HB PRO 41 11.528 -4.106 -2.540 286 HG2 PRO 41 1HG PRO 41 13.426 -1.856 -2.270 287 HG3 PRO 41 2HG PRO 41 11.679 -1.840 -2.137 288 HD2 PRO 41 1HD PRO 41 13.566 -1.741 0.021 289 HD3 PRO 41 2HD PRO 41 11.821 -1.842 0.158 290 H GLY 42 H GLY 42 13.805 -6.892 -1.937 291 HA2 GLY 42 1HA GLY 42 16.439 -6.822 -0.850 292 HA3 GLY 42 2HA GLY 42 15.783 -7.980 -1.989 293 H GLU 43 H GLU 43 14.926 -5.938 -3.984 294 HA GLU 43 HA GLU 43 17.512 -5.616 -5.181 295 HB2 GLU 43 1HB GLU 43 14.682 -5.655 -6.095 296 HB3 GLU 43 2HB GLU 43 15.713 -4.550 -6.981 297 HG2 GLU 43 1HG GLU 43 16.211 -7.532 -6.550 298 HG3 GLU 43 2HG GLU 43 15.745 -6.766 -8.056 299 H LYS 44 H LYS 44 17.365 -4.010 -2.922 300 HA LYS 44 HA LYS 44 16.305 -1.559 -2.983 301 HB2 LYS 44 1HB LYS 44 19.085 -2.405 -2.136 302 HB3 LYS 44 2HB LYS 44 18.439 -0.807 -1.821 303 HG2 LYS 44 1HG LYS 44 16.381 -2.069 -0.788 304 HG3 LYS 44 2HG LYS 44 17.424 -3.477 -0.781 305 HD2 LYS 44 1HD LYS 44 19.021 -2.422 0.689 306 HD3 LYS 44 2HD LYS 44 18.316 -0.836 0.444 307 HE2 LYS 44 1HE LYS 44 16.879 -1.160 2.169 308 HE3 LYS 44 2HE LYS 44 16.235 -2.601 1.407 309 HZ1 LYS 44 1HZ LYS 44 18.363 -2.375 3.364 310 HZ2 LYS 44 2HZ LYS 44 17.140 -3.454 3.282 311 HZ3 LYS 44 3HZ LYS 44 18.434 -3.612 2.299 312 H ASN 45 H ASN 45 19.017 -2.746 -5.000 313 HA ASN 45 HA ASN 45 20.167 -1.806 -6.598 314 HB2 ASN 45 1HB ASN 45 17.316 -1.367 -7.154 315 HB3 ASN 45 2HB ASN 45 18.283 -0.124 -7.922 316 HD21 ASN 45 1HD2 ASN 45 16.931 -3.047 -8.358 317 HD22 ASN 45 2HD2 ASN 45 17.958 -3.736 -9.572 318 H GLY 46 H GLY 46 19.937 -0.242 -4.017 319 HA2 GLY 46 1HA GLY 46 21.457 1.837 -4.174 320 HA3 GLY 46 2HA GLY 46 20.064 2.537 -4.974 321 H ILE 47 H ILE 47 19.851 4.111 -3.241 322 HA ILE 47 HA ILE 47 18.848 2.922 -0.749 323 HB ILE 47 HB ILE 47 20.241 5.550 -1.261 324 HG12 ILE 47 1HG1 ILE 47 21.858 4.573 0.429 325 HG13 ILE 47 2HG1 ILE 47 21.029 3.041 0.240 326 HG21 ILE 47 1HG2 ILE 47 18.744 4.543 1.153 327 HG22 ILE 47 2HG2 ILE 47 20.075 5.716 1.300 328 HG23 ILE 47 3HG2 ILE 47 18.635 6.121 0.335 329 HD11 ILE 47 1HD1 ILE 47 21.767 2.739 -1.956 330 HD12 ILE 47 2HD1 ILE 47 21.924 4.487 -2.252 331 HD13 ILE 47 3HD1 ILE 47 23.141 3.639 -1.269 332 H LEU 48 H LEU 48 16.665 2.716 -1.119 333 HA LEU 48 HA LEU 48 15.062 4.136 -2.722 334 HB2 LEU 48 1HB LEU 48 14.094 3.474 0.032 335 HB3 LEU 48 2HB LEU 48 13.267 3.330 -1.507 336 HG LEU 48 HG LEU 48 13.658 1.127 -1.004 337 HD11 LEU 48 1HD1 LEU 48 15.195 2.196 -3.069 338 HD12 LEU 48 2HD1 LEU 48 16.297 1.089 -2.216 339 HD13 LEU 48 3HD1 LEU 48 14.741 0.490 -2.839 340 HD21 LEU 48 1HD2 LEU 48 16.397 0.908 -0.214 341 HD22 LEU 48 2HD2 LEU 48 15.617 2.173 0.766 342 HD23 LEU 48 3HD2 LEU 48 14.925 0.534 0.714 343 H THR 49 H THR 49 13.989 6.109 -2.777 344 HA THR 49 HA THR 49 14.877 8.022 -0.723 345 HB THR 49 HB THR 49 14.494 9.701 -2.568 346 HG1 THR 49 1HG THR 49 12.903 8.477 -3.753 347 HG21 THR 49 1HG2 THR 49 16.539 7.647 -2.548 348 HG22 THR 49 2HG2 THR 49 16.069 7.960 -4.236 349 HG23 THR 49 3HG2 THR 49 16.647 9.295 -3.210 350 H GLY 50 H GLY 50 12.360 6.025 -1.260 351 HA2 GLY 50 1HA GLY 50 10.595 7.163 0.455 352 HA3 GLY 50 2HA GLY 50 10.177 7.898 -1.080 353 H TYR 51 H TYR 51 8.163 6.471 -0.137 354 HA TYR 51 HA TYR 51 8.226 4.044 -1.770 355 HB2 TYR 51 1HB TYR 51 7.484 4.483 1.174 356 HB3 TYR 51 2HB TYR 51 6.767 3.153 0.287 357 HD1 TYR 51 1HD TYR 51 8.391 1.463 -0.835 358 HD2 TYR 51 2HD TYR 51 9.582 4.230 2.203 359 HE1 TYR 51 1HE TYR 51 10.426 0.029 -0.317 360 HE2 TYR 51 2HE TYR 51 11.612 2.787 2.711 361 HH TYR 51 HH TYR 51 12.883 1.137 1.940 362 H ARG 52 H ARG 52 6.472 3.907 -3.090 363 HA ARG 52 HA ARG 52 4.396 5.852 -2.610 364 HB2 ARG 52 1HB ARG 52 5.355 5.815 -4.871 365 HB3 ARG 52 2HB ARG 52 5.069 4.093 -5.018 366 HG2 ARG 52 1HG ARG 52 2.788 4.352 -5.394 367 HG3 ARG 52 2HG ARG 52 2.671 5.786 -4.393 368 HD2 ARG 52 1HD ARG 52 2.491 6.824 -6.453 369 HD3 ARG 52 2HD ARG 52 4.240 6.816 -6.345 370 HE ARG 52 HE ARG 52 3.615 4.348 -7.490 371 HH11 ARG 52 2HH2 ARG 52 2.962 7.712 -8.293 372 HH12 ARG 52 1HH2 ARG 52 2.899 7.425 -10.000 373 HH21 ARG 52 2HH1 ARG 52 3.533 3.970 -9.742 374 HH22 ARG 52 1HH1 ARG 52 3.226 5.282 -10.830 375 H ILE 53 H ILE 53 2.405 5.251 -1.790 376 HA ILE 53 HA ILE 53 1.755 2.387 -1.911 377 HB ILE 53 HB ILE 53 2.356 3.018 0.332 378 HG12 ILE 53 1HG1 ILE 53 -0.568 2.491 -0.190 379 HG13 ILE 53 2HG1 ILE 53 0.687 1.355 0.263 380 HG21 ILE 53 1HG2 ILE 53 0.198 4.805 1.001 381 HG22 ILE 53 2HG2 ILE 53 1.952 5.011 1.218 382 HG23 ILE 53 3HG2 ILE 53 1.182 5.493 -0.312 383 HD11 ILE 53 1HD1 ILE 53 -0.089 1.628 2.389 384 HD12 ILE 53 2HD1 ILE 53 0.787 3.177 2.360 385 HD13 ILE 53 3HD1 ILE 53 -0.949 3.129 1.971 386 H SER 54 H SER 54 -0.463 1.833 -2.283 387 HA SER 54 HA SER 54 -2.257 4.001 -2.820 388 HB2 SER 54 1HB SER 54 -2.320 2.171 -5.103 389 HB3 SER 54 2HB SER 54 -2.264 3.923 -5.087 390 HG SER 54 HG SER 54 -0.294 2.270 -5.776 391 H TRP 55 H TRP 55 -4.094 3.350 -1.766 392 HA TRP 55 HA TRP 55 -4.607 0.469 -1.622 393 HB2 TRP 55 1HB TRP 55 -5.942 0.931 0.305 394 HB3 TRP 55 2HB TRP 55 -4.363 1.666 0.506 395 HD1 TRP 55 HD TRP 55 -7.946 2.822 -0.554 396 HE1 TRP 55 1HE TRP 55 -8.389 5.299 0.241 397 HE3 TRP 55 3HE TRP 55 -3.294 3.601 1.344 398 HZ2 TRP 55 2HZ TRP 55 -6.780 7.263 1.544 399 HZ3 TRP 55 3HZ TRP 55 -2.812 5.826 2.360 400 HH2 TRP 55 HH TRP 55 -4.465 7.623 2.478 401 H GLU 56 H GLU 56 -6.684 -0.345 -2.251 402 HA GLU 56 HA GLU 56 -8.685 1.424 -3.143 403 HB2 GLU 56 1HB GLU 56 -8.642 0.981 -5.517 404 HB3 GLU 56 2HB GLU 56 -7.047 1.546 -5.063 405 HG2 GLU 56 1HG GLU 56 -6.135 -0.700 -5.101 406 HG3 GLU 56 2HG GLU 56 -7.729 -1.422 -5.193 407 H GLU 57 H GLU 57 -10.345 -0.108 -4.606 408 HA GLU 57 HA GLU 57 -10.956 -2.191 -2.783 409 HB2 GLU 57 1HB GLU 57 -12.278 -0.797 -5.042 410 HB3 GLU 57 2HB GLU 57 -12.716 -2.488 -4.907 411 HG2 GLU 57 1HG GLU 57 -12.668 -1.123 -2.286 412 HG3 GLU 57 2HG GLU 57 -13.796 -0.384 -3.404 413 H TYR 58 H TYR 58 -11.811 -4.393 -3.924 414 HA TYR 58 HA TYR 58 -9.582 -5.795 -4.697 415 HB2 TYR 58 1HB TYR 58 -11.631 -6.878 -3.910 416 HB3 TYR 58 2HB TYR 58 -12.612 -6.040 -5.096 417 HD1 TYR 58 1HD TYR 58 -9.602 -8.298 -5.188 418 HD2 TYR 58 2HD TYR 58 -13.488 -7.407 -6.740 419 HE1 TYR 58 1HE TYR 58 -9.450 -10.305 -6.741 420 HE2 TYR 58 2HE TYR 58 -13.323 -9.417 -8.288 421 HH TYR 58 HH TYR 58 -11.785 -11.785 -8.003 422 H ASN 59 H ASN 59 -12.324 -4.782 -6.870 423 HA ASN 59 HA ASN 59 -10.328 -4.613 -8.982 424 HB2 ASN 59 1HB ASN 59 -12.119 -5.488 -10.567 425 HB3 ASN 59 2HB ASN 59 -11.564 -6.677 -9.406 426 HD21 ASN 59 1HD2 ASN 59 -13.742 -7.479 -10.275 427 HD22 ASN 59 2HD2 ASN 59 -15.140 -7.119 -9.318 428 H ARG 60 H ARG 60 -10.787 -2.297 -7.789 429 HA ARG 60 HA ARG 60 -12.459 -0.906 -9.630 430 HB2 ARG 60 1HB ARG 60 -13.027 -0.179 -6.769 431 HB3 ARG 60 2HB ARG 60 -14.083 -0.087 -8.164 432 HG2 ARG 60 1HG ARG 60 -14.384 -2.538 -8.155 433 HG3 ARG 60 2HG ARG 60 -13.221 -2.709 -6.855 434 HD2 ARG 60 1HD ARG 60 -14.773 -2.192 -5.264 435 HD3 ARG 60 2HD ARG 60 -15.316 -0.776 -6.142 436 HE ARG 60 HE ARG 60 -16.221 -3.268 -7.371 437 HH11 ARG 60 2HH2 ARG 60 -16.928 -0.887 -4.879 438 HH12 ARG 60 1HH2 ARG 60 -18.620 -1.251 -4.832 439 HH21 ARG 60 2HH1 ARG 60 -18.454 -3.749 -7.310 440 HH22 ARG 60 1HH1 ARG 60 -19.495 -2.890 -6.224 441 H THR 61 H THR 61 -10.672 0.324 -10.311 442 HA THR 61 HA THR 61 -8.820 1.401 -8.407 443 HB THR 61 HB THR 61 -9.248 1.787 -11.416 444 HG1 THR 61 1HG THR 61 -7.552 0.175 -11.402 445 HG21 THR 61 1HG2 THR 61 -6.830 2.432 -9.648 446 HG22 THR 61 2HG2 THR 61 -6.891 2.565 -11.422 447 HG23 THR 61 3HG2 THR 61 -7.878 3.650 -10.414 448 H ASN 62 H ASN 62 -11.967 2.270 -9.393 449 HA ASN 62 HA ASN 62 -11.720 5.011 -9.552 450 HB2 ASN 62 1HB ASN 62 -13.775 3.365 -9.951 451 HB3 ASN 62 2HB ASN 62 -14.127 3.671 -8.262 452 HD21 ASN 62 1HD2 ASN 62 -16.054 4.419 -9.745 453 HD22 ASN 62 2HD2 ASN 62 -16.123 6.122 -10.054 454 H THR 63 H THR 63 -11.328 2.795 -6.907 455 HA THR 63 HA THR 63 -11.640 4.990 -4.964 456 HB THR 63 HB THR 63 -12.450 3.377 -3.407 457 HG1 THR 63 1HG THR 63 -10.780 1.797 -3.758 458 HG21 THR 63 1HG2 THR 63 -14.223 2.151 -4.484 459 HG22 THR 63 2HG2 THR 63 -14.007 3.609 -5.482 460 HG23 THR 63 3HG2 THR 63 -13.323 2.056 -6.016 461 H ARG 64 H ARG 64 -9.310 4.662 -6.627 462 HA ARG 64 HA ARG 64 -7.448 3.486 -4.747 463 HB2 ARG 64 1HB ARG 64 -7.433 2.946 -7.284 464 HB3 ARG 64 2HB ARG 64 -6.826 4.571 -7.533 465 HG2 ARG 64 1HG ARG 64 -5.170 3.589 -5.494 466 HG3 ARG 64 2HG ARG 64 -5.422 2.181 -6.507 467 HD2 ARG 64 1HD ARG 64 -4.968 4.167 -8.404 468 HD3 ARG 64 2HD ARG 64 -3.925 4.680 -7.092 469 HE ARG 64 HE ARG 64 -3.491 1.910 -7.366 470 HH11 ARG 64 2HH2 ARG 64 -3.125 4.778 -9.371 471 HH12 ARG 64 1HH2 ARG 64 -1.815 4.122 -10.295 472 HH21 ARG 64 2HH1 ARG 64 -1.762 1.044 -8.583 473 HH22 ARG 64 1HH1 ARG 64 -1.034 1.984 -9.843 474 H VAL 65 H VAL 65 -5.603 4.723 -3.958 475 HA VAL 65 HA VAL 65 -5.838 7.615 -4.408 476 HB VAL 65 HB VAL 65 -6.817 6.832 -2.232 477 HG11 VAL 65 1HG1 VAL 65 -4.826 6.480 -0.489 478 HG12 VAL 65 2HG1 VAL 65 -5.581 5.119 -1.352 479 HG13 VAL 65 3HG1 VAL 65 -4.034 5.788 -1.925 480 HG21 VAL 65 1HG2 VAL 65 -6.257 8.805 -1.274 481 HG22 VAL 65 2HG2 VAL 65 -4.508 8.510 -1.430 482 HG23 VAL 65 3HG2 VAL 65 -5.440 9.095 -2.829 483 H THR 66 H THR 66 -3.762 8.792 -3.947 484 HA THR 66 HA THR 66 -1.438 7.023 -4.308 485 HB THR 66 HB THR 66 -2.063 9.637 -5.783 486 HG1 THR 66 1HG THR 66 -3.013 8.165 -7.131 487 HG21 THR 66 1HG2 THR 66 0.448 8.579 -5.289 488 HG22 THR 66 2HG2 THR 66 -0.011 7.710 -6.772 489 HG23 THR 66 3HG2 THR 66 0.025 9.489 -6.759 490 H HIS 67 H HIS 67 -0.230 7.156 -2.527 491 HA HIS 67 HA HIS 67 0.068 9.837 -1.381 492 HB2 HIS 67 1HB HIS 67 -0.557 7.225 -0.111 493 HB3 HIS 67 2HB HIS 67 0.619 8.222 0.724 494 HD1 HIS 67 1HD HIS 67 -0.786 11.015 -0.078 495 HD2 HIS 67 2HD HIS 67 -2.631 7.692 1.698 496 HE1 HIS 67 1HE HIS 67 -2.853 11.903 1.125 497 H TYR 68 H TYR 68 2.198 10.100 -0.162 498 HA TYR 68 HA TYR 68 4.285 8.417 -1.361 499 HB2 TYR 68 1HB TYR 68 3.996 11.471 -1.093 500 HB3 TYR 68 2HB TYR 68 5.538 10.720 -1.455 501 HD1 TYR 68 1HD TYR 68 5.065 8.741 -3.451 502 HD2 TYR 68 2HD TYR 68 3.106 12.512 -2.957 503 HE1 TYR 68 1HE TYR 68 4.493 8.776 -5.928 504 HE2 TYR 68 2HE TYR 68 2.540 12.535 -5.436 505 HH TYR 68 HH TYR 68 3.995 10.418 -7.635 506 H LEU 69 H LEU 69 5.935 7.831 0.020 507 HA LEU 69 HA LEU 69 6.004 9.197 2.611 508 HB2 LEU 69 1HB LEU 69 6.273 6.212 2.351 509 HB3 LEU 69 2HB LEU 69 6.089 7.170 3.807 510 HG LEU 69 HG LEU 69 3.911 7.042 1.721 511 HD11 LEU 69 1HD1 LEU 69 4.739 4.961 3.656 512 HD12 LEU 69 2HD1 LEU 69 3.001 5.346 3.617 513 HD13 LEU 69 3HD1 LEU 69 3.831 4.827 2.130 514 HD21 LEU 69 1HD2 LEU 69 2.503 7.499 3.787 515 HD22 LEU 69 2HD2 LEU 69 4.032 7.840 4.632 516 HD23 LEU 69 3HD2 LEU 69 3.553 8.822 3.227 517 HA PRO 70 HA PRO 70 10.273 9.155 1.992 518 HB2 PRO 70 1HB PRO 70 11.279 9.039 4.530 519 HB3 PRO 70 2HB PRO 70 10.652 10.510 3.814 520 HG2 PRO 70 1HG PRO 70 9.408 8.763 5.849 521 HG3 PRO 70 2HG PRO 70 9.017 10.421 5.438 522 HD2 PRO 70 1HD PRO 70 7.552 8.074 4.682 523 HD3 PRO 70 2HD PRO 70 7.227 9.720 4.176 524 H ASN 71 H ASN 71 12.474 8.061 2.563 525 HA ASN 71 HA ASN 71 11.919 5.305 2.051 526 HB2 ASN 71 1HB ASN 71 14.420 5.155 1.771 527 HB3 ASN 71 2HB ASN 71 13.717 6.422 0.784 528 HD21 ASN 71 1HD2 ASN 71 16.296 5.755 2.519 529 HD22 ASN 71 2HD2 ASN 71 16.720 7.293 3.193 530 H VAL 72 H VAL 72 11.328 6.575 4.754 531 HA VAL 72 HA VAL 72 13.128 4.911 6.377 532 HB VAL 72 HB VAL 72 12.930 6.507 8.147 533 HG11 VAL 72 1HG1 VAL 72 13.627 7.763 5.477 534 HG12 VAL 72 2HG1 VAL 72 13.942 8.548 7.043 535 HG13 VAL 72 3HG1 VAL 72 14.724 6.998 6.652 536 HG21 VAL 72 1HG2 VAL 72 11.272 8.320 6.382 537 HG22 VAL 72 2HG2 VAL 72 10.534 7.156 7.509 538 HG23 VAL 72 3HG2 VAL 72 11.589 8.449 8.129 539 H THR 73 H THR 73 9.835 5.991 5.575 540 HA THR 73 HA THR 73 8.730 4.267 7.658 541 HB THR 73 HB THR 73 7.691 6.450 5.808 542 HG1 THR 73 1HG THR 73 7.097 7.179 8.023 543 HG21 THR 73 1HG2 THR 73 5.435 6.061 6.760 544 HG22 THR 73 2HG2 THR 73 5.952 4.621 5.851 545 HG23 THR 73 3HG2 THR 73 6.032 4.627 7.629 546 H LEU 74 H LEU 74 7.392 2.487 7.265 547 HA LEU 74 HA LEU 74 7.255 1.621 4.479 548 HB2 LEU 74 1HB LEU 74 8.027 -0.343 6.604 549 HB3 LEU 74 2HB LEU 74 8.184 -0.467 4.863 550 HG LEU 74 HG LEU 74 9.763 1.694 6.150 551 HD11 LEU 74 1HD1 LEU 74 11.370 0.374 7.186 552 HD12 LEU 74 2HD1 LEU 74 9.840 -0.387 7.686 553 HD13 LEU 74 3HD1 LEU 74 10.813 -1.116 6.386 554 HD21 LEU 74 1HD2 LEU 74 11.113 -0.215 4.394 555 HD22 LEU 74 2HD2 LEU 74 9.664 0.511 3.658 556 HD23 LEU 74 3HD2 LEU 74 10.966 1.555 4.277 557 H GLU 75 H GLU 75 5.545 2.712 6.919 558 HA GLU 75 HA GLU 75 3.394 0.869 6.361 559 HB2 GLU 75 1HB GLU 75 2.834 0.443 8.635 560 HB3 GLU 75 2HB GLU 75 4.565 0.188 8.542 561 HG2 GLU 75 1HG GLU 75 4.632 2.806 9.169 562 HG3 GLU 75 2HG GLU 75 3.045 2.456 9.824 563 H TYR 76 H TYR 76 1.254 1.828 6.700 564 HA TYR 76 HA TYR 76 1.132 4.581 7.532 565 HB2 TYR 76 1HB TYR 76 1.893 4.648 5.117 566 HB3 TYR 76 2HB TYR 76 0.579 3.578 4.669 567 HD1 TYR 76 2HD TYR 76 -1.764 4.402 4.657 568 HD2 TYR 76 1HD TYR 76 1.526 7.013 5.469 569 HE1 TYR 76 2HE TYR 76 -3.249 6.419 4.222 570 HE2 TYR 76 1HE TYR 76 0.030 9.022 5.032 571 HH TYR 76 HH TYR 76 -2.395 9.515 5.139 572 H ARG 77 H ARG 77 -1.086 5.337 7.776 573 HA ARG 77 HA ARG 77 -2.830 3.090 8.191 574 HB2 ARG 77 1HB ARG 77 -2.502 4.841 9.976 575 HB3 ARG 77 2HB ARG 77 -3.196 6.044 8.907 576 HG2 ARG 77 1HG ARG 77 -5.305 5.423 9.469 577 HG3 ARG 77 2HG ARG 77 -4.983 3.754 9.041 578 HD2 ARG 77 1HD ARG 77 -5.636 4.157 11.488 579 HD3 ARG 77 2HD ARG 77 -4.171 3.227 11.247 580 HE ARG 77 HE ARG 77 -2.949 4.954 12.239 581 HH11 ARG 77 2HH2 ARG 77 -6.058 6.221 11.184 582 HH12 ARG 77 1HH2 ARG 77 -5.818 7.773 11.915 583 HH21 ARG 77 2HH1 ARG 77 -2.632 7.001 13.204 584 HH22 ARG 77 1HH1 ARG 77 -3.856 8.220 13.071 585 H VAL 78 H VAL 78 -4.427 2.559 6.728 586 HA VAL 78 HA VAL 78 -4.976 4.467 4.603 587 HB VAL 78 HB VAL 78 -5.712 1.557 4.981 588 HG11 VAL 78 1HG1 VAL 78 -6.441 3.574 2.913 589 HG12 VAL 78 2HG1 VAL 78 -5.995 1.949 2.339 590 HG13 VAL 78 3HG1 VAL 78 -7.334 2.149 3.494 591 HG21 VAL 78 1HG2 VAL 78 -4.043 1.351 3.011 592 HG22 VAL 78 2HG2 VAL 78 -3.471 2.956 3.524 593 HG23 VAL 78 3HG2 VAL 78 -3.396 1.582 4.653 594 H THR 79 H THR 79 -7.136 5.126 4.048 595 HA THR 79 HA THR 79 -9.296 4.417 5.808 596 HB THR 79 HB THR 79 -9.610 6.856 6.516 597 HG1 THR 79 1HG THR 79 -8.143 8.205 5.558 598 HG21 THR 79 1HG2 THR 79 -7.972 6.827 8.298 599 HG22 THR 79 2HG2 THR 79 -8.384 5.122 7.999 600 HG23 THR 79 3HG2 THR 79 -6.869 5.797 7.354 601 H GLY 80 H GLY 80 -11.349 5.025 4.997 602 HA2 GLY 80 1HA GLY 80 -12.713 6.139 3.447 603 HA3 GLY 80 2HA GLY 80 -11.335 6.387 2.393 604 H LEU 81 H LEU 81 -11.752 3.238 3.958 605 HA LEU 81 HA LEU 81 -12.150 2.067 1.336 606 HB2 LEU 81 1HB LEU 81 -11.856 0.513 3.876 607 HB3 LEU 81 2HB LEU 81 -11.386 0.082 2.244 608 HG LEU 81 HG LEU 81 -10.019 2.314 3.752 609 HD11 LEU 81 1HD1 LEU 81 -8.903 0.919 5.070 610 HD12 LEU 81 2HD1 LEU 81 -10.027 -0.366 4.566 611 HD13 LEU 81 3HD1 LEU 81 -8.488 -0.141 3.702 612 HD21 LEU 81 1HD2 LEU 81 -8.640 2.468 2.003 613 HD22 LEU 81 2HD2 LEU 81 -8.482 0.702 1.851 614 HD23 LEU 81 3HD2 LEU 81 -9.870 1.538 1.114 615 H THR 82 H THR 82 -13.472 -0.347 2.508 616 HA THR 82 HA THR 82 -16.085 0.766 3.229 617 HB THR 82 HB THR 82 -15.677 -1.327 1.037 618 HG1 THR 82 1HG THR 82 -16.237 1.553 0.942 619 HG21 THR 82 1HG2 THR 82 -17.970 -1.202 2.058 620 HG22 THR 82 2HG2 THR 82 -17.996 0.549 1.742 621 HG23 THR 82 3HG2 THR 82 -17.967 -0.600 0.383 622 H ALA 83 H ALA 83 -17.365 -0.545 4.536 623 HA ALA 83 HA ALA 83 -15.912 -2.376 6.120 624 HB1 ALA 83 1HB ALA 83 -18.169 -0.834 6.406 625 HB2 ALA 83 2HB ALA 83 -18.870 -2.460 6.224 626 HB3 ALA 83 3HB ALA 83 -17.688 -2.140 7.515 627 H LEU 84 H LEU 84 -15.866 -4.621 6.127 628 HA LEU 84 HA LEU 84 -15.833 -6.613 5.146 629 HB2 LEU 84 1HB LEU 84 -18.769 -6.025 4.745 630 HB3 LEU 84 2HB LEU 84 -18.021 -7.609 4.763 631 HG LEU 84 HG LEU 84 -18.551 -5.732 7.044 632 HD11 LEU 84 1HD1 LEU 84 -20.244 -7.356 6.676 633 HD12 LEU 84 2HD1 LEU 84 -19.051 -8.667 6.509 634 HD13 LEU 84 3HD1 LEU 84 -19.311 -7.896 8.092 635 HD21 LEU 84 1HD2 LEU 84 -16.291 -7.700 6.855 636 HD22 LEU 84 2HD2 LEU 84 -16.326 -6.068 7.563 637 HD23 LEU 84 3HD2 LEU 84 -17.110 -7.422 8.410 638 H THR 85 H THR 85 -14.592 -5.053 3.444 639 HA THR 85 HA THR 85 -15.646 -5.912 0.853 640 HB THR 85 HB THR 85 -15.043 -3.077 1.777 641 HG1 THR 85 1HG THR 85 -17.104 -2.879 0.641 642 HG21 THR 85 1HG2 THR 85 -14.997 -2.359 -0.570 643 HG22 THR 85 2HG2 THR 85 -13.688 -3.542 -0.335 644 HG23 THR 85 3HG2 THR 85 -15.203 -4.037 -1.127 645 H THR 86 H THR 86 -14.095 -6.470 -0.663 646 HA THR 86 HA THR 86 -11.485 -6.959 0.477 647 HB THR 86 HB THR 86 -12.595 -7.582 -2.308 648 HG1 THR 86 1HG THR 86 -12.555 -9.065 0.226 649 HG21 THR 86 1HG2 THR 86 -10.564 -9.060 -0.556 650 HG22 THR 86 2HG2 THR 86 -11.020 -9.457 -2.230 651 HG23 THR 86 3HG2 THR 86 -10.103 -7.971 -1.887 652 H TYR 87 H TYR 87 -9.805 -5.621 0.381 653 HA TYR 87 HA TYR 87 -9.779 -3.701 -1.851 654 HB2 TYR 87 1HB TYR 87 -9.302 -3.572 1.150 655 HB3 TYR 87 2HB TYR 87 -8.297 -2.540 0.152 656 HD1 TYR 87 1HD TYR 87 -11.862 -3.349 0.914 657 HD2 TYR 87 2HD TYR 87 -9.103 -0.465 -0.626 658 HE1 TYR 87 1HE TYR 87 -13.714 -1.609 0.835 659 HE2 TYR 87 2HE TYR 87 -10.964 1.266 -0.699 660 HH TYR 87 HH TYR 87 -13.578 1.087 -0.922 661 H THR 88 H THR 88 -7.582 -2.963 -2.496 662 HA THR 88 HA THR 88 -5.533 -4.979 -1.857 663 HB THR 88 HB THR 88 -6.720 -4.103 -4.467 664 HG1 THR 88 1HG THR 88 -6.864 -6.298 -4.076 665 HG21 THR 88 1HG2 THR 88 -3.776 -4.897 -4.250 666 HG22 THR 88 2HG2 THR 88 -4.671 -4.445 -5.720 667 HG23 THR 88 3HG2 THR 88 -4.295 -3.212 -4.493 668 H ILE 89 H ILE 89 -3.816 -4.127 -0.883 669 HA ILE 89 HA ILE 89 -3.383 -1.257 -1.254 670 HB ILE 89 HB ILE 89 -2.229 -3.073 0.860 671 HG12 ILE 89 1HG1 ILE 89 -4.495 -3.266 1.315 672 HG13 ILE 89 2HG1 ILE 89 -4.014 -1.910 2.315 673 HG21 ILE 89 1HG2 ILE 89 -1.360 -1.222 1.857 674 HG22 ILE 89 2HG2 ILE 89 -1.302 -0.677 0.164 675 HG23 ILE 89 3HG2 ILE 89 -2.627 -0.142 1.226 676 HD11 ILE 89 1HD1 ILE 89 -5.857 -0.943 1.317 677 HD12 ILE 89 2HD1 ILE 89 -4.658 -0.538 0.066 678 HD13 ILE 89 3HD1 ILE 89 -5.723 -1.949 -0.145 679 H GLU 90 H GLU 90 -1.866 -0.652 -2.694 680 HA GLU 90 HA GLU 90 0.176 -2.626 -3.314 681 HB2 GLU 90 1HB GLU 90 -0.445 -0.120 -4.918 682 HB3 GLU 90 2HB GLU 90 0.416 -1.551 -5.451 683 HG2 GLU 90 1HG GLU 90 -1.547 -2.386 -6.216 684 HG3 GLU 90 2HG GLU 90 -2.094 -2.518 -4.556 685 H VAL 91 H VAL 91 2.233 -2.311 -2.575 686 HA VAL 91 HA VAL 91 2.942 0.437 -1.808 687 HB VAL 91 HB VAL 91 3.657 -2.200 -0.514 688 HG11 VAL 91 1HG1 VAL 91 5.329 -0.019 -0.686 689 HG12 VAL 91 2HG1 VAL 91 4.483 0.271 0.853 690 HG13 VAL 91 3HG1 VAL 91 5.367 -1.252 0.597 691 HG21 VAL 91 1HG2 VAL 91 2.365 -1.519 1.334 692 HG22 VAL 91 2HG2 VAL 91 2.280 0.167 0.769 693 HG23 VAL 91 3HG2 VAL 91 1.372 -1.105 -0.084 694 H ALA 92 H ALA 92 4.477 1.287 -3.104 695 HA ALA 92 HA ALA 92 6.366 -0.609 -4.325 696 HB1 ALA 92 1HB ALA 92 6.321 1.691 -5.910 697 HB2 ALA 92 2HB ALA 92 5.524 0.143 -6.277 698 HB3 ALA 92 3HB ALA 92 4.615 1.443 -5.469 699 H ALA 93 H ALA 93 8.568 0.206 -4.626 700 HA ALA 93 HA ALA 93 9.254 2.058 -2.483 701 HB1 ALA 93 1HB ALA 93 11.596 1.190 -3.045 702 HB2 ALA 93 2HB ALA 93 10.448 -0.007 -2.398 703 HB3 ALA 93 3HB ALA 93 10.798 0.039 -4.143 704 H MET 94 H MET 94 11.178 3.582 -3.016 705 HA MET 94 HA MET 94 11.023 4.487 -5.764 706 HB2 MET 94 1HB MET 94 10.656 6.279 -3.297 707 HB3 MET 94 2HB MET 94 10.741 6.859 -4.949 708 HG2 MET 94 1HG MET 94 8.672 5.694 -5.544 709 HG3 MET 94 2HG MET 94 8.638 4.854 -4.006 710 HE1 MET 94 1HE MET 94 6.455 8.351 -5.094 711 HE2 MET 94 2HE MET 94 8.134 8.804 -5.474 712 HE3 MET 94 3HE MET 94 7.468 7.268 -6.078 713 H THR 95 H THR 95 13.005 5.145 -6.567 714 HA THR 95 HA THR 95 15.139 5.556 -4.577 715 HB THR 95 HB THR 95 16.571 4.456 -6.488 716 HG1 THR 95 1HG THR 95 15.047 4.288 -8.151 717 HG21 THR 95 1HG2 THR 95 16.321 3.052 -4.575 718 HG22 THR 95 2HG2 THR 95 14.550 2.989 -4.747 719 HG23 THR 95 3HG2 THR 95 15.587 2.087 -5.878 720 H SER 96 H SER 96 17.176 6.291 -6.329 721 HA SER 96 HA SER 96 16.463 8.965 -6.721 722 HB2 SER 96 1HB SER 96 18.889 7.406 -7.719 723 HB3 SER 96 2HB SER 96 18.753 9.154 -7.729 724 HG SER 96 HG SER 96 18.182 8.589 -5.246 725 H LYS 97 H LYS 97 15.882 6.149 -8.573 726 HA LYS 97 HA LYS 97 16.014 7.517 -11.127 727 HB2 LYS 97 1HB LYS 97 15.698 4.690 -10.209 728 HB3 LYS 97 2HB LYS 97 15.028 5.123 -11.768 729 HG2 LYS 97 1HG LYS 97 17.746 6.220 -11.336 730 HG3 LYS 97 2HG LYS 97 17.698 4.470 -11.269 731 HD2 LYS 97 1HD LYS 97 17.988 4.812 -13.565 732 HD3 LYS 97 2HD LYS 97 16.243 4.678 -13.472 733 HE2 LYS 97 1HE LYS 97 16.139 6.709 -14.489 734 HE3 LYS 97 2HE LYS 97 16.692 7.404 -12.978 735 HZ1 LYS 97 1HZ LYS 97 18.811 7.544 -13.742 736 HZ2 LYS 97 2HZ LYS 97 18.672 6.305 -14.797 737 HZ3 LYS 97 3HZ LYS 97 18.013 7.757 -15.150 738 H GLY 98 H GLY 98 13.559 5.866 -9.023 739 HA2 GLY 98 1HA GLY 98 11.603 7.798 -9.254 740 HA3 GLY 98 2HA GLY 98 11.356 6.720 -10.613 741 H GLN 99 H GLN 99 10.151 4.891 -10.287 742 HA GLN 99 HA GLN 99 10.023 3.912 -7.548 743 HB2 GLN 99 1HB GLN 99 7.973 5.183 -7.922 744 HB3 GLN 99 2HB GLN 99 7.686 4.371 -9.448 745 HG2 GLN 99 1HG GLN 99 8.017 2.340 -7.424 746 HG3 GLN 99 2HG GLN 99 6.896 3.534 -6.801 747 HE21 GLN 99 1HE2 GLN 99 4.932 2.795 -7.062 748 HE22 GLN 99 2HE2 GLN 99 4.248 2.122 -8.504 749 H GLY 100 H GLY 100 9.924 1.634 -7.326 750 HA2 GLY 100 1HA GLY 100 10.461 0.168 -9.823 751 HA3 GLY 100 2HA GLY 100 10.947 -0.306 -8.207 752 H GLN 101 H GLN 101 9.935 -2.422 -8.698 753 HA GLN 101 HA GLN 101 7.408 -2.858 -9.457 754 HB2 GLN 101 1HB GLN 101 9.448 -4.401 -8.451 755 HB3 GLN 101 2HB GLN 101 8.279 -4.535 -7.152 756 HG2 GLN 101 1HG GLN 101 6.890 -5.855 -8.390 757 HG3 GLN 101 2HG GLN 101 6.996 -4.803 -9.788 758 HE21 GLN 101 1HE2 GLN 101 8.977 -4.904 -11.085 759 HE22 GLN 101 2HE2 GLN 101 9.769 -6.428 -11.312 760 H VAL 102 H VAL 102 5.522 -3.742 -7.983 761 HA VAL 102 HA VAL 102 5.294 -2.081 -5.583 762 HB VAL 102 HB VAL 102 4.175 -1.260 -7.859 763 HG11 VAL 102 1HG1 VAL 102 2.890 -3.564 -7.817 764 HG12 VAL 102 2HG1 VAL 102 1.815 -2.700 -6.691 765 HG13 VAL 102 3HG1 VAL 102 2.070 -2.072 -8.337 766 HG21 VAL 102 1HG2 VAL 102 3.320 0.301 -6.503 767 HG22 VAL 102 2HG2 VAL 102 2.241 -0.872 -5.712 768 HG23 VAL 102 3HG2 VAL 102 3.916 -0.678 -5.142 769 H SER 103 H SER 103 4.256 -3.089 -3.867 770 HA SER 103 HA SER 103 3.624 -5.874 -4.379 771 HB2 SER 103 1HB SER 103 4.683 -4.326 -2.060 772 HB3 SER 103 2HB SER 103 3.564 -5.609 -1.643 773 HG SER 103 HG SER 103 5.110 -7.031 -2.014 774 H ALA 104 H ALA 104 1.466 -6.093 -4.925 775 HA ALA 104 HA ALA 104 -0.457 -4.497 -3.389 776 HB1 ALA 104 1HB ALA 104 -0.141 -4.927 -6.141 777 HB2 ALA 104 2HB ALA 104 -1.505 -5.975 -5.683 778 HB3 ALA 104 3HB ALA 104 -1.566 -4.231 -5.332 779 H SER 105 H SER 105 -1.452 -5.525 -1.736 780 HA SER 105 HA SER 105 -1.790 -8.406 -2.048 781 HB2 SER 105 1HB SER 105 -0.402 -6.957 0.000 782 HB3 SER 105 2HB SER 105 -1.851 -7.611 0.736 783 HG SER 105 HG SER 105 -1.204 -9.721 -0.295 784 H THR 106 H THR 106 -3.869 -9.222 -1.658 785 HA THR 106 HA THR 106 -5.970 -7.265 -1.466 786 HB THR 106 HB THR 106 -6.377 -10.265 -1.379 787 HG1 THR 106 1HG THR 106 -5.492 -8.571 -3.610 788 HG21 THR 106 1HG2 THR 106 -7.773 -7.830 -2.399 789 HG22 THR 106 2HG2 THR 106 -7.764 -9.208 -3.526 790 HG23 THR 106 3HG2 THR 106 -8.455 -9.396 -1.897 791 H ILE 107 H ILE 107 -7.294 -6.782 0.222 792 HA ILE 107 HA ILE 107 -7.147 -8.436 2.593 793 HB ILE 107 HB ILE 107 -5.335 -7.076 3.119 794 HG12 ILE 107 1HG1 ILE 107 -6.323 -5.426 4.856 795 HG13 ILE 107 2HG1 ILE 107 -7.884 -6.056 4.368 796 HG21 ILE 107 1HG2 ILE 107 -5.188 -5.407 1.542 797 HG22 ILE 107 2HG2 ILE 107 -6.878 -4.894 1.760 798 HG23 ILE 107 3HG2 ILE 107 -5.657 -4.480 2.987 799 HD11 ILE 107 1HD1 ILE 107 -6.310 -7.188 6.311 800 HD12 ILE 107 2HD1 ILE 107 -7.535 -8.083 5.380 801 HD13 ILE 107 3HD1 ILE 107 -5.825 -8.144 4.890 802 H SER 108 H SER 108 -9.120 -8.552 3.579 803 HA SER 108 HA SER 108 -11.146 -6.825 2.431 804 HB2 SER 108 1HB SER 108 -11.760 -9.112 2.218 805 HB3 SER 108 2HB SER 108 -11.208 -9.511 3.833 806 HG SER 108 HG SER 108 -13.632 -9.247 3.408 807 H SER 109 H SER 109 -11.909 -5.112 3.617 808 HA SER 109 HA SER 109 -10.940 -4.239 5.902 809 HB2 SER 109 1HB SER 109 -13.204 -3.119 6.289 810 HB3 SER 109 2HB SER 109 -12.498 -2.878 4.703 811 HG SER 109 HG SER 109 -14.727 -3.427 4.496 812 H GLY 110 H GLY 110 -11.665 -4.236 8.198 813 HA2 GLY 110 1HA GLY 110 -12.071 -6.839 9.199 814 HA3 GLY 110 2HA GLY 110 -12.122 -5.339 10.104 815 H VAL 111 H VAL 111 -14.122 -4.301 10.542 816 HA VAL 111 HA VAL 111 -16.515 -4.973 9.262 817 HB VAL 111 HB VAL 111 -16.214 -7.141 10.298 818 HG11 VAL 111 1HG1 VAL 111 -16.146 -7.423 12.736 819 HG12 VAL 111 2HG1 VAL 111 -14.750 -6.481 12.157 820 HG13 VAL 111 3HG1 VAL 111 -16.116 -5.656 12.946 821 HG21 VAL 111 1HG2 VAL 111 -18.386 -5.399 11.487 822 HG22 VAL 111 2HG2 VAL 111 -18.487 -6.500 10.092 823 HG23 VAL 111 3HG2 VAL 111 -18.319 -7.160 11.736 824 HA PRO 112 HA PRO 112 -17.360 -1.333 11.448 825 HB2 PRO 112 1HB PRO 112 -20.001 -1.014 10.823 826 HB3 PRO 112 2HB PRO 112 -18.699 -0.548 9.747 827 HG2 PRO 112 1HG PRO 112 -20.499 -2.887 9.574 828 HG3 PRO 112 2HG PRO 112 -19.500 -2.175 8.322 829 HD2 PRO 112 1HD PRO 112 -18.957 -4.577 9.793 830 HD3 PRO 112 2HD PRO 112 -17.905 -3.803 8.625 831 HA PRO 113 HA PRO 113 -18.809 -2.739 15.219 832 HB2 PRO 113 1HB PRO 113 -18.123 -0.576 16.741 833 HB3 PRO 113 2HB PRO 113 -17.008 -1.874 16.364 834 HG2 PRO 113 1HG PRO 113 -17.123 0.857 15.237 835 HG3 PRO 113 2HG PRO 113 -15.799 -0.290 15.202 836 HD2 PRO 113 1HD PRO 113 -17.573 0.350 13.041 837 HD3 PRO 113 2HD PRO 113 -16.324 -0.879 13.042 838 H SER 114 H SER 114 -19.806 0.112 13.616 839 HA SER 114 HA SER 114 -21.550 1.430 13.922 840 HB2 SER 114 1HB SER 114 -22.339 -1.271 13.287 841 HB3 SER 114 2HB SER 114 -23.595 -0.563 14.284 842 HG SER 114 HG SER 114 -23.126 -0.137 11.662 843 H GLY 115 H GLY 115 -21.031 2.369 16.018 844 HA2 GLY 115 1HA GLY 115 -21.616 3.008 18.097 845 HA3 GLY 115 2HA GLY 115 -23.054 2.015 17.970 846 HA PRO 116 HA PRO 116 -20.545 -0.086 21.041 847 HB2 PRO 116 1HB PRO 116 -22.575 -0.664 22.777 848 HB3 PRO 116 2HB PRO 116 -21.598 0.786 22.894 849 HG2 PRO 116 1HG PRO 116 -24.374 0.496 21.921 850 HG3 PRO 116 2HG PRO 116 -23.539 1.946 22.442 851 HD2 PRO 116 1HD PRO 116 -24.089 1.160 19.739 852 HD3 PRO 116 2HD PRO 116 -23.154 2.549 20.257 853 H SER 117 H SER 117 -20.946 -2.331 22.225 854 HA SER 117 HA SER 117 -22.505 -3.986 20.464 855 HB2 SER 117 1HB SER 117 -20.147 -3.817 19.490 856 HB3 SER 117 2HB SER 117 -19.559 -4.605 20.940 857 HG SER 117 HG SER 117 -21.260 -5.664 18.877 858 H SER 118 H SER 118 -22.989 -6.098 21.433 859 HA SER 118 HA SER 118 -22.026 -6.403 24.148 860 HB2 SER 118 1HB SER 118 -24.368 -5.207 23.943 861 HB3 SER 118 2HB SER 118 -24.970 -6.805 23.553 862 HG SER 118 HG SER 118 -24.046 -5.776 26.008 863 H GLY 119 H GLY 119 -22.472 -8.668 24.996 864 HA2 GLY 119 1HA GLY 119 -21.846 -10.598 23.006 865 HA3 GLY 119 2HA GLY 119 -22.172 -10.884 24.704 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -8.337 -14.995 9.269 2 HA2 GLY 1 1HA GLY 1 -5.899 -14.829 7.718 3 HA3 GLY 1 2HA GLY 1 -6.066 -16.300 8.655 4 H SER 2 H SER 2 -6.413 -15.271 5.615 5 HA SER 2 HA SER 2 -8.519 -17.177 5.127 6 HB2 SER 2 1HB SER 2 -9.614 -14.908 5.244 7 HB3 SER 2 2HB SER 2 -8.585 -14.371 3.931 8 HG SER 2 HG SER 2 -9.692 -16.661 3.082 9 H SER 3 H SER 3 -8.296 -18.224 3.072 10 HA SER 3 HA SER 3 -5.906 -17.388 1.622 11 HB2 SER 3 1HB SER 3 -5.862 -19.629 2.948 12 HB3 SER 3 2HB SER 3 -6.951 -20.240 1.719 13 HG SER 3 HG SER 3 -4.585 -18.914 0.838 14 H GLY 4 H GLY 4 -6.388 -16.633 -0.405 15 HA2 GLY 4 1HA GLY 4 -8.991 -17.295 -1.561 16 HA3 GLY 4 2HA GLY 4 -7.894 -16.023 -2.060 17 H SER 5 H SER 5 -6.003 -16.543 -3.369 18 HA SER 5 HA SER 5 -5.447 -19.163 -4.128 19 HB2 SER 5 1HB SER 5 -7.721 -18.181 -5.426 20 HB3 SER 5 2HB SER 5 -6.445 -17.868 -6.586 21 HG SER 5 HG SER 5 -7.168 -19.956 -7.005 22 H SER 6 H SER 6 -3.416 -19.206 -5.161 23 HA SER 6 HA SER 6 -2.504 -16.909 -6.555 24 HB2 SER 6 1HB SER 6 -0.494 -16.559 -5.061 25 HB3 SER 6 2HB SER 6 -2.016 -16.062 -4.348 26 HG SER 6 HG SER 6 -0.352 -18.291 -3.702 27 H GLY 7 H GLY 7 -0.188 -17.313 -7.399 28 HA2 GLY 7 1HA GLY 7 1.080 -19.794 -7.130 29 HA3 GLY 7 2HA GLY 7 -0.017 -19.898 -8.492 30 HA PRO 8 HA PRO 8 3.154 -16.513 -9.507 31 HB2 PRO 8 1HB PRO 8 5.241 -16.061 -7.802 32 HB3 PRO 8 2HB PRO 8 3.772 -15.105 -7.793 33 HG2 PRO 8 1HG PRO 8 4.638 -17.191 -5.886 34 HG3 PRO 8 2HG PRO 8 3.418 -15.951 -5.677 35 HD2 PRO 8 1HD PRO 8 2.963 -18.732 -6.213 36 HD3 PRO 8 2HD PRO 8 1.750 -17.471 -6.119 37 H GLN 9 H GLN 9 4.263 -17.124 -11.247 38 HA GLN 9 HA GLN 9 6.613 -18.624 -10.837 39 HB2 GLN 9 1HB GLN 9 4.591 -20.318 -10.726 40 HB3 GLN 9 2HB GLN 9 4.539 -20.111 -12.466 41 HG2 GLN 9 1HG GLN 9 6.978 -20.736 -12.589 42 HG3 GLN 9 2HG GLN 9 6.980 -21.001 -10.857 43 HE21 GLN 9 1HE2 GLN 9 6.840 -22.501 -13.722 44 HE22 GLN 9 2HE2 GLN 9 5.964 -23.944 -13.333 45 H LEU 10 H LEU 10 7.707 -17.099 -12.083 46 HA LEU 10 HA LEU 10 7.220 -17.248 -14.917 47 HB2 LEU 10 1HB LEU 10 6.380 -14.944 -13.299 48 HB3 LEU 10 2HB LEU 10 7.403 -14.529 -14.659 49 HG LEU 10 HG LEU 10 5.022 -16.319 -15.072 50 HD11 LEU 10 1HD1 LEU 10 4.191 -13.733 -15.749 51 HD12 LEU 10 2HD1 LEU 10 3.596 -14.750 -14.415 52 HD13 LEU 10 3HD1 LEU 10 4.912 -13.586 -14.128 53 HD21 LEU 10 1HD2 LEU 10 7.019 -15.361 -16.742 54 HD22 LEU 10 2HD2 LEU 10 5.465 -16.071 -17.239 55 HD23 LEU 10 3HD2 LEU 10 5.628 -14.305 -17.088 56 H VAL 11 H VAL 11 8.923 -15.351 -15.863 57 HA VAL 11 HA VAL 11 11.441 -16.346 -14.869 58 HB VAL 11 HB VAL 11 10.973 -16.253 -17.256 59 HG11 VAL 11 1HG1 VAL 11 9.960 -14.527 -18.240 60 HG12 VAL 11 2HG1 VAL 11 9.865 -13.719 -16.657 61 HG13 VAL 11 3HG1 VAL 11 11.257 -13.421 -17.726 62 HG21 VAL 11 1HG2 VAL 11 13.294 -16.080 -16.537 63 HG22 VAL 11 2HG2 VAL 11 13.026 -15.079 -17.983 64 HG23 VAL 11 3HG2 VAL 11 13.141 -14.314 -16.380 65 H ARG 12 H ARG 12 13.272 -14.825 -14.410 66 HA ARG 12 HA ARG 12 12.199 -12.589 -12.906 67 HB2 ARG 12 1HB ARG 12 14.478 -14.478 -12.547 68 HB3 ARG 12 2HB ARG 12 14.864 -12.815 -12.152 69 HG2 ARG 12 1HG ARG 12 13.999 -13.445 -10.102 70 HG3 ARG 12 2HG ARG 12 12.499 -12.949 -10.863 71 HD2 ARG 12 1HD ARG 12 11.721 -15.044 -10.427 72 HD3 ARG 12 2HD ARG 12 12.774 -15.609 -11.708 73 HE ARG 12 HE ARG 12 14.170 -16.557 -10.094 74 HH11 ARG 12 2HH2 ARG 12 12.182 -14.090 -8.563 75 HH12 ARG 12 1HH2 ARG 12 12.737 -14.454 -6.964 76 HH21 ARG 12 2HH1 ARG 12 14.902 -17.038 -7.984 77 HH22 ARG 12 1HH1 ARG 12 14.295 -16.142 -6.632 78 H THR 13 H THR 13 12.712 -10.481 -13.498 79 HA THR 13 HA THR 13 14.689 -10.193 -15.662 80 HB THR 13 HB THR 13 13.289 -8.060 -16.097 81 HG1 THR 13 1HG THR 13 11.158 -8.254 -14.999 82 HG21 THR 13 1HG2 THR 13 11.526 -10.541 -16.158 83 HG22 THR 13 2HG2 THR 13 11.597 -9.204 -17.331 84 HG23 THR 13 3HG2 THR 13 12.917 -10.396 -17.259 85 H HIS 14 H HIS 14 15.040 -7.424 -15.539 86 HA HIS 14 HA HIS 14 15.831 -6.808 -12.843 87 HB2 HIS 14 1HB HIS 14 17.722 -7.853 -14.804 88 HB3 HIS 14 2HB HIS 14 18.181 -6.256 -14.247 89 HD1 HIS 14 1HD HIS 14 17.031 -9.547 -12.624 90 HD2 HIS 14 2HD HIS 14 19.665 -6.350 -11.965 91 HE1 HIS 14 1HE HIS 14 18.296 -10.094 -10.477 92 H GLU 15 H GLU 15 15.552 -4.647 -12.489 93 HA GLU 15 HA GLU 15 15.695 -2.921 -14.817 94 HB2 GLU 15 1HB GLU 15 13.375 -2.999 -12.838 95 HB3 GLU 15 2HB GLU 15 13.610 -1.733 -14.027 96 HG2 GLU 15 1HG GLU 15 12.804 -3.026 -15.723 97 HG3 GLU 15 2HG GLU 15 13.783 -4.401 -15.253 98 H ASP 16 H ASP 16 16.113 -0.639 -14.274 99 HA ASP 16 HA ASP 16 18.018 -0.309 -12.401 100 HB2 ASP 16 1HB ASP 16 17.453 1.303 -14.228 101 HB3 ASP 16 2HB ASP 16 15.997 1.767 -13.371 102 H VAL 17 H VAL 17 14.550 0.822 -12.176 103 HA VAL 17 HA VAL 17 14.596 1.684 -9.577 104 HB VAL 17 HB VAL 17 12.099 0.967 -9.695 105 HG11 VAL 17 1HG1 VAL 17 11.749 2.844 -11.481 106 HG12 VAL 17 2HG1 VAL 17 12.520 3.241 -9.927 107 HG13 VAL 17 3HG1 VAL 17 13.518 3.016 -11.384 108 HG21 VAL 17 1HG2 VAL 17 12.687 -0.678 -11.611 109 HG22 VAL 17 2HG2 VAL 17 11.210 0.305 -11.753 110 HG23 VAL 17 3HG2 VAL 17 12.677 0.768 -12.649 111 HA PRO 18 HA PRO 18 14.666 -1.847 -7.086 112 HB2 PRO 18 1HB PRO 18 12.969 -1.259 -5.026 113 HB3 PRO 18 2HB PRO 18 14.598 -0.621 -5.138 114 HG2 PRO 18 1HG PRO 18 12.030 0.753 -5.648 115 HG3 PRO 18 2HG PRO 18 13.607 1.452 -5.339 116 HD2 PRO 18 1HD PRO 18 12.289 1.241 -7.879 117 HD3 PRO 18 2HD PRO 18 13.912 1.834 -7.586 118 H GLY 19 H GLY 19 13.312 -3.565 -5.789 119 HA2 GLY 19 1HA GLY 19 11.238 -4.374 -7.718 120 HA3 GLY 19 2HA GLY 19 12.150 -5.431 -6.660 121 HA PRO 20 HA PRO 20 8.250 -4.740 -4.518 122 HB2 PRO 20 1HB PRO 20 7.778 -7.344 -3.837 123 HB3 PRO 20 2HB PRO 20 7.147 -6.606 -5.296 124 HG2 PRO 20 1HG PRO 20 9.385 -8.515 -5.004 125 HG3 PRO 20 2HG PRO 20 8.476 -8.101 -6.444 126 HD2 PRO 20 1HD PRO 20 11.114 -7.203 -5.761 127 HD3 PRO 20 2HD PRO 20 10.159 -6.699 -7.142 128 H VAL 21 H VAL 21 7.888 -4.253 -2.401 129 HA VAL 21 HA VAL 21 10.141 -4.270 -0.764 130 HB VAL 21 HB VAL 21 8.374 -3.783 1.028 131 HG11 VAL 21 1HG1 VAL 21 8.289 -1.970 -1.397 132 HG12 VAL 21 2HG1 VAL 21 8.175 -1.523 0.322 133 HG13 VAL 21 3HG1 VAL 21 9.716 -2.114 -0.343 134 HG21 VAL 21 1HG2 VAL 21 6.174 -3.844 0.566 135 HG22 VAL 21 2HG2 VAL 21 6.396 -3.132 -1.050 136 HG23 VAL 21 3HG2 VAL 21 6.637 -4.878 -0.806 137 H GLY 22 H GLY 22 9.454 -5.218 1.736 138 HA2 GLY 22 1HA GLY 22 10.179 -7.889 1.635 139 HA3 GLY 22 2HA GLY 22 9.448 -7.074 3.003 140 H HIS 23 H HIS 23 7.251 -7.379 3.494 141 HA HIS 23 HA HIS 23 5.670 -8.846 1.549 142 HB2 HIS 23 1HB HIS 23 5.277 -10.695 2.824 143 HB3 HIS 23 2HB HIS 23 6.934 -10.361 3.286 144 HD1 HIS 23 1HD HIS 23 3.551 -10.761 4.671 145 HD2 HIS 23 2HD HIS 23 7.157 -8.996 5.887 146 HE1 HIS 23 1HE HIS 23 3.357 -10.401 7.189 147 H LEU 24 H LEU 24 3.736 -7.842 1.334 148 HA LEU 24 HA LEU 24 3.046 -5.639 2.861 149 HB2 LEU 24 1HB LEU 24 1.969 -7.184 0.673 150 HB3 LEU 24 2HB LEU 24 0.687 -6.702 1.766 151 HG LEU 24 HG LEU 24 1.182 -5.152 -0.179 152 HD11 LEU 24 1HD1 LEU 24 0.383 -4.624 2.464 153 HD12 LEU 24 2HD1 LEU 24 1.486 -3.302 2.014 154 HD13 LEU 24 3HD1 LEU 24 0.059 -3.652 1.008 155 HD21 LEU 24 1HD2 LEU 24 3.181 -4.231 -0.492 156 HD22 LEU 24 2HD2 LEU 24 3.285 -3.705 1.205 157 HD23 LEU 24 3HD2 LEU 24 3.804 -5.345 0.748 158 H SER 25 H SER 25 1.889 -5.312 4.728 159 HA SER 25 HA SER 25 0.502 -7.595 5.824 160 HB2 SER 25 1HB SER 25 3.029 -7.223 6.684 161 HB3 SER 25 2HB SER 25 2.248 -6.051 7.726 162 HG SER 25 HG SER 25 0.680 -8.158 7.927 163 H PHE 26 H PHE 26 -0.880 -6.892 7.778 164 HA PHE 26 HA PHE 26 -1.359 -4.035 7.880 165 HB2 PHE 26 1HB PHE 26 -3.468 -6.174 7.208 166 HB3 PHE 26 2HB PHE 26 -3.811 -4.469 7.422 167 HD1 PHE 26 2HD PHE 26 -2.851 -2.822 5.766 168 HD2 PHE 26 1HD PHE 26 -2.748 -7.016 5.123 169 HE1 PHE 26 2HE PHE 26 -2.460 -2.437 3.316 170 HE2 PHE 26 1HE PHE 26 -2.357 -6.631 2.674 171 HZ PHE 26 HZ PHE 26 -2.218 -4.346 1.799 172 H SER 27 H SER 27 -2.687 -3.402 9.741 173 HA SER 27 HA SER 27 -3.446 -5.467 11.550 174 HB2 SER 27 1HB SER 27 -1.121 -3.606 12.187 175 HB3 SER 27 2HB SER 27 -2.032 -4.429 13.438 176 HG SER 27 HG SER 27 -0.167 -5.664 12.864 177 H GLU 28 H GLU 28 -4.804 -4.614 13.308 178 HA GLU 28 HA GLU 28 -6.264 -3.268 14.184 179 HB2 GLU 28 1HB GLU 28 -4.313 -1.153 13.211 180 HB3 GLU 28 2HB GLU 28 -5.786 -0.710 14.049 181 HG2 GLU 28 1HG GLU 28 -4.152 -2.867 15.336 182 HG3 GLU 28 2HG GLU 28 -3.434 -1.269 15.326 183 H ILE 29 H ILE 29 -7.099 -4.377 11.869 184 HA ILE 29 HA ILE 29 -7.964 -2.328 10.036 185 HB ILE 29 HB ILE 29 -8.684 -5.256 10.071 186 HG12 ILE 29 1HG1 ILE 29 -6.144 -3.890 9.287 187 HG13 ILE 29 2HG1 ILE 29 -6.394 -5.456 10.033 188 HG21 ILE 29 1HG2 ILE 29 -8.395 -3.558 7.619 189 HG22 ILE 29 2HG2 ILE 29 -9.392 -5.006 7.898 190 HG23 ILE 29 3HG2 ILE 29 -9.876 -3.443 8.599 191 HD11 ILE 29 1HD1 ILE 29 -7.561 -6.078 7.741 192 HD12 ILE 29 2HD1 ILE 29 -6.649 -4.681 7.121 193 HD13 ILE 29 3HD1 ILE 29 -5.784 -6.058 7.847 194 H LEU 30 H LEU 30 -10.013 -1.455 9.859 195 HA LEU 30 HA LEU 30 -11.890 -2.306 11.954 196 HB2 LEU 30 1HB LEU 30 -11.364 0.429 10.790 197 HB3 LEU 30 2HB LEU 30 -12.751 0.049 11.792 198 HG LEU 30 HG LEU 30 -11.114 1.100 13.168 199 HD11 LEU 30 1HD1 LEU 30 -10.708 -1.773 13.927 200 HD12 LEU 30 2HD1 LEU 30 -11.069 -0.360 14.949 201 HD13 LEU 30 3HD1 LEU 30 -12.345 -1.075 13.935 202 HD21 LEU 30 1HD2 LEU 30 -9.013 -0.973 12.776 203 HD22 LEU 30 2HD2 LEU 30 -9.223 0.243 11.493 204 HD23 LEU 30 3HD2 LEU 30 -8.868 0.759 13.160 205 H ASP 31 H ASP 31 -13.361 -0.019 10.023 206 HA ASP 31 HA ASP 31 -14.530 -2.147 8.415 207 HB2 ASP 31 1HB ASP 31 -16.357 -0.189 8.175 208 HB3 ASP 31 2HB ASP 31 -16.364 -1.294 9.535 209 H THR 32 H THR 32 -13.025 1.088 8.503 210 HA THR 32 HA THR 32 -12.652 0.973 5.621 211 HB THR 32 HB THR 32 -13.649 3.162 5.250 212 HG1 THR 32 1HG THR 32 -14.500 4.245 7.246 213 HG21 THR 32 1HG2 THR 32 -15.312 1.188 5.635 214 HG22 THR 32 2HG2 THR 32 -15.553 1.877 7.258 215 HG23 THR 32 3HG2 THR 32 -15.964 2.834 5.815 216 H SER 33 H SER 33 -11.129 0.762 8.299 217 HA SER 33 HA SER 33 -9.042 2.546 7.403 218 HB2 SER 33 1HB SER 33 -8.606 3.050 9.936 219 HB3 SER 33 2HB SER 33 -9.844 3.960 9.092 220 HG SER 33 HG SER 33 -11.454 2.511 9.972 221 H LEU 34 H LEU 34 -7.017 1.562 7.529 222 HA LEU 34 HA LEU 34 -6.530 -0.521 9.423 223 HB2 LEU 34 1HB LEU 34 -6.340 -2.360 8.020 224 HB3 LEU 34 2HB LEU 34 -7.878 -1.630 7.604 225 HG LEU 34 HG LEU 34 -6.689 -0.504 5.655 226 HD11 LEU 34 1HD1 LEU 34 -4.626 -2.219 5.093 227 HD12 LEU 34 2HD1 LEU 34 -4.455 -0.571 5.744 228 HD13 LEU 34 3HD1 LEU 34 -4.440 -1.970 6.846 229 HD21 LEU 34 1HD2 LEU 34 -7.387 -2.168 4.304 230 HD22 LEU 34 2HD2 LEU 34 -6.455 -3.415 5.167 231 HD23 LEU 34 3HD2 LEU 34 -8.012 -2.854 5.823 232 H LYS 35 H LYS 35 -4.296 -0.885 9.694 233 HA LYS 35 HA LYS 35 -2.657 1.047 8.232 234 HB2 LYS 35 1HB LYS 35 -2.936 0.834 10.876 235 HB3 LYS 35 2HB LYS 35 -1.683 -0.374 10.676 236 HG2 LYS 35 1HG LYS 35 -1.279 2.220 9.218 237 HG3 LYS 35 2HG LYS 35 -1.152 2.281 10.964 238 HD2 LYS 35 1HD LYS 35 0.307 0.097 9.456 239 HD3 LYS 35 2HD LYS 35 0.982 1.714 9.479 240 HE2 LYS 35 1HE LYS 35 0.309 0.008 11.923 241 HE3 LYS 35 2HE LYS 35 1.916 0.388 11.337 242 HZ1 LYS 35 1HZ LYS 35 1.766 2.106 12.701 243 HZ2 LYS 35 2HZ LYS 35 0.773 2.803 11.608 244 HZ3 LYS 35 3HZ LYS 35 0.147 1.988 12.878 245 H VAL 36 H VAL 36 -0.844 0.422 7.055 246 HA VAL 36 HA VAL 36 -0.571 -2.487 6.738 247 HB VAL 36 HB VAL 36 -1.024 -2.058 4.614 248 HG11 VAL 36 1HG1 VAL 36 -2.031 0.113 5.326 249 HG12 VAL 36 2HG1 VAL 36 -0.465 0.899 5.015 250 HG13 VAL 36 3HG1 VAL 36 -1.363 0.144 3.676 251 HG21 VAL 36 1HG2 VAL 36 1.337 -2.324 4.305 252 HG22 VAL 36 2HG2 VAL 36 0.802 -1.010 3.229 253 HG23 VAL 36 3HG2 VAL 36 1.648 -0.628 4.748 254 H SER 37 H SER 37 1.677 -3.230 6.191 255 HA SER 37 HA SER 37 3.753 -1.407 6.940 256 HB2 SER 37 1HB SER 37 4.242 -2.215 9.003 257 HB3 SER 37 2HB SER 37 2.635 -2.914 8.979 258 HG SER 37 HG SER 37 3.729 -4.816 7.857 259 H TRP 38 H TRP 38 5.659 -1.922 5.843 260 HA TRP 38 HA TRP 38 5.839 -4.620 4.713 261 HB2 TRP 38 1HB TRP 38 6.624 -3.645 2.584 262 HB3 TRP 38 2HB TRP 38 4.932 -3.344 2.927 263 HD1 TRP 38 HD TRP 38 8.306 -1.451 2.791 264 HE1 TRP 38 1HE TRP 38 7.923 1.148 2.539 265 HE3 TRP 38 3HE TRP 38 3.256 -1.607 3.371 266 HZ2 TRP 38 2HZ TRP 38 5.604 2.810 2.610 267 HZ3 TRP 38 3HZ TRP 38 2.008 0.548 3.266 268 HH2 TRP 38 HH TRP 38 3.101 2.704 2.901 269 H GLN 39 H GLN 39 8.239 -4.746 3.679 270 HA GLN 39 HA GLN 39 9.980 -3.462 5.640 271 HB2 GLN 39 1HB GLN 39 9.702 -6.287 4.818 272 HB3 GLN 39 2HB GLN 39 11.359 -5.722 4.761 273 HG2 GLN 39 1HG GLN 39 10.751 -4.681 7.153 274 HG3 GLN 39 2HG GLN 39 9.499 -5.907 7.135 275 HE21 GLN 39 1HE2 GLN 39 11.936 -5.585 8.766 276 HE22 GLN 39 2HE2 GLN 39 12.839 -7.055 8.614 277 H GLU 40 H GLU 40 12.451 -3.723 4.704 278 HA GLU 40 HA GLU 40 12.357 -2.188 2.308 279 HB2 GLU 40 1HB GLU 40 14.189 -2.597 4.500 280 HB3 GLU 40 2HB GLU 40 15.053 -2.902 3.006 281 HG2 GLU 40 1HG GLU 40 14.538 -0.716 2.132 282 HG3 GLU 40 2HG GLU 40 13.302 -0.435 3.343 283 HA PRO 41 HA PRO 41 13.020 -5.600 -0.322 284 HB2 PRO 41 1HB PRO 41 13.367 -4.249 -2.672 285 HB3 PRO 41 2HB PRO 41 11.790 -4.628 -2.009 286 HG2 PRO 41 1HG PRO 41 13.206 -2.033 -2.059 287 HG3 PRO 41 2HG PRO 41 11.502 -2.349 -1.799 288 HD2 PRO 41 1HD PRO 41 13.448 -1.682 0.199 289 HD3 PRO 41 2HD PRO 41 11.771 -2.111 0.472 290 H GLY 42 H GLY 42 14.611 -6.831 -1.394 291 HA2 GLY 42 1HA GLY 42 17.249 -6.070 -0.539 292 HA3 GLY 42 2HA GLY 42 16.775 -7.518 -1.404 293 H GLU 43 H GLU 43 15.260 -5.518 -3.359 294 HA GLU 43 HA GLU 43 17.601 -5.193 -5.026 295 HB2 GLU 43 1HB GLU 43 14.638 -5.421 -5.515 296 HB3 GLU 43 2HB GLU 43 15.600 -4.569 -6.706 297 HG2 GLU 43 1HG GLU 43 16.248 -7.376 -5.691 298 HG3 GLU 43 2HG GLU 43 15.344 -7.053 -7.157 299 H LYS 44 H LYS 44 17.343 -3.399 -2.791 300 HA LYS 44 HA LYS 44 16.061 -1.068 -3.092 301 HB2 LYS 44 1HB LYS 44 18.934 -1.485 -2.217 302 HB3 LYS 44 2HB LYS 44 18.021 -0.014 -1.953 303 HG2 LYS 44 1HG LYS 44 16.223 -1.597 -0.854 304 HG3 LYS 44 2HG LYS 44 17.522 -2.772 -0.784 305 HD2 LYS 44 1HD LYS 44 18.871 -1.364 0.629 306 HD3 LYS 44 2HD LYS 44 17.890 0.050 0.295 307 HE2 LYS 44 1HE LYS 44 16.520 -0.435 2.036 308 HE3 LYS 44 2HE LYS 44 16.160 -2.011 1.360 309 HZ1 LYS 44 1HZ LYS 44 18.230 -2.804 2.355 310 HZ2 LYS 44 2HZ LYS 44 18.468 -1.346 3.051 311 HZ3 LYS 44 3HZ LYS 44 17.180 -2.253 3.478 312 H ASN 45 H ASN 45 18.803 -2.261 -5.041 313 HA ASN 45 HA ASN 45 19.910 -1.367 -6.705 314 HB2 ASN 45 1HB ASN 45 16.990 -0.961 -7.302 315 HB3 ASN 45 2HB ASN 45 18.108 -0.134 -8.368 316 HD21 ASN 45 1HD2 ASN 45 16.872 -3.170 -7.259 317 HD22 ASN 45 2HD2 ASN 45 17.619 -4.202 -8.433 318 H GLY 46 H GLY 46 20.342 0.333 -4.622 319 HA2 GLY 46 1HA GLY 46 21.381 2.529 -5.004 320 HA3 GLY 46 2HA GLY 46 19.866 3.041 -5.721 321 H ILE 47 H ILE 47 19.737 4.769 -4.113 322 HA ILE 47 HA ILE 47 19.180 3.802 -1.404 323 HB ILE 47 HB ILE 47 20.165 6.397 -2.533 324 HG12 ILE 47 1HG1 ILE 47 21.876 4.846 -1.916 325 HG13 ILE 47 2HG1 ILE 47 21.840 6.118 -0.710 326 HG21 ILE 47 1HG2 ILE 47 18.603 7.389 -1.198 327 HG22 ILE 47 2HG2 ILE 47 18.511 6.008 -0.078 328 HG23 ILE 47 3HG2 ILE 47 19.894 7.127 -0.001 329 HD11 ILE 47 1HD1 ILE 47 21.948 4.175 0.614 330 HD12 ILE 47 2HD1 ILE 47 20.201 4.514 0.592 331 HD13 ILE 47 3HD1 ILE 47 20.878 3.258 -0.472 332 H LEU 48 H LEU 48 17.077 3.458 -0.955 333 HA LEU 48 HA LEU 48 15.016 4.297 -2.627 334 HB2 LEU 48 1HB LEU 48 14.825 3.521 0.284 335 HB3 LEU 48 2HB LEU 48 13.543 3.470 -0.909 336 HG LEU 48 HG LEU 48 16.062 1.797 -1.081 337 HD11 LEU 48 1HD1 LEU 48 14.717 1.293 0.958 338 HD12 LEU 48 2HD1 LEU 48 13.339 0.906 -0.100 339 HD13 LEU 48 3HD1 LEU 48 14.831 -0.060 -0.193 340 HD21 LEU 48 1HD2 LEU 48 13.774 2.239 -2.849 341 HD22 LEU 48 2HD2 LEU 48 15.361 1.504 -3.179 342 HD23 LEU 48 3HD2 LEU 48 14.054 0.521 -2.478 343 H THR 49 H THR 49 13.883 6.169 -2.822 344 HA THR 49 HA THR 49 14.623 8.323 -0.990 345 HB THR 49 HB THR 49 13.547 9.715 -2.823 346 HG1 THR 49 1HG THR 49 12.188 8.415 -4.003 347 HG21 THR 49 1HG2 THR 49 15.961 9.264 -3.094 348 HG22 THR 49 2HG2 THR 49 15.609 7.642 -3.737 349 HG23 THR 49 3HG2 THR 49 15.160 9.087 -4.674 350 H GLY 50 H GLY 50 12.067 6.054 -1.610 351 HA2 GLY 50 1HA GLY 50 10.615 6.576 0.624 352 HA3 GLY 50 2HA GLY 50 9.955 7.697 -0.549 353 H TYR 51 H TYR 51 8.181 5.877 0.342 354 HA TYR 51 HA TYR 51 8.085 3.873 -1.813 355 HB2 TYR 51 1HB TYR 51 7.022 3.910 1.081 356 HB3 TYR 51 2HB TYR 51 6.712 2.603 -0.044 357 HD1 TYR 51 1HD TYR 51 8.712 1.268 -0.937 358 HD2 TYR 51 2HD TYR 51 8.995 3.948 2.386 359 HE1 TYR 51 1HE TYR 51 10.857 0.126 -0.189 360 HE2 TYR 51 2HE TYR 51 11.139 2.797 3.123 361 HH TYR 51 HH TYR 51 12.160 -0.177 1.723 362 H ARG 52 H ARG 52 6.020 3.456 -2.774 363 HA ARG 52 HA ARG 52 4.165 5.643 -2.287 364 HB2 ARG 52 1HB ARG 52 5.026 5.690 -4.571 365 HB3 ARG 52 2HB ARG 52 4.722 3.977 -4.786 366 HG2 ARG 52 1HG ARG 52 2.435 4.269 -5.094 367 HG3 ARG 52 2HG ARG 52 2.354 5.659 -4.029 368 HD2 ARG 52 1HD ARG 52 2.322 6.968 -5.888 369 HD3 ARG 52 2HD ARG 52 4.003 6.539 -6.138 370 HE ARG 52 HE ARG 52 2.186 4.495 -7.153 371 HH11 ARG 52 2HH2 ARG 52 3.711 7.575 -7.907 372 HH12 ARG 52 1HH2 ARG 52 3.598 7.356 -9.622 373 HH21 ARG 52 2HH1 ARG 52 2.036 4.206 -9.415 374 HH22 ARG 52 1HH1 ARG 52 2.638 5.428 -10.485 375 H ILE 53 H ILE 53 2.196 5.093 -1.391 376 HA ILE 53 HA ILE 53 1.449 2.256 -1.523 377 HB ILE 53 HB ILE 53 1.986 3.032 0.712 378 HG12 ILE 53 1HG1 ILE 53 -1.011 2.737 0.631 379 HG13 ILE 53 2HG1 ILE 53 0.027 1.420 0.121 380 HG21 ILE 53 1HG2 ILE 53 -0.272 4.764 1.192 381 HG22 ILE 53 2HG2 ILE 53 1.460 5.041 1.492 382 HG23 ILE 53 3HG2 ILE 53 0.760 5.427 -0.098 383 HD11 ILE 53 1HD1 ILE 53 -0.619 2.274 2.812 384 HD12 ILE 53 2HD1 ILE 53 0.309 0.848 2.291 385 HD13 ILE 53 3HD1 ILE 53 1.139 2.398 2.563 386 H SER 54 H SER 54 -0.670 1.688 -2.124 387 HA SER 54 HA SER 54 -2.490 3.822 -2.711 388 HB2 SER 54 1HB SER 54 -2.751 2.519 -5.088 389 HB3 SER 54 2HB SER 54 -1.770 3.956 -4.877 390 HG SER 54 HG SER 54 -0.865 1.762 -5.849 391 H TRP 55 H TRP 55 -4.424 3.108 -1.900 392 HA TRP 55 HA TRP 55 -4.840 0.205 -1.817 393 HB2 TRP 55 1HB TRP 55 -6.401 0.633 -0.019 394 HB3 TRP 55 2HB TRP 55 -4.817 1.285 0.351 395 HD1 TRP 55 HD TRP 55 -8.344 2.536 -0.689 396 HE1 TRP 55 1HE TRP 55 -8.708 5.042 0.054 397 HE3 TRP 55 3HE TRP 55 -3.593 3.288 0.960 398 HZ2 TRP 55 2HZ TRP 55 -7.006 7.013 1.222 399 HZ3 TRP 55 3HZ TRP 55 -3.027 5.532 1.887 400 HH2 TRP 55 HH TRP 55 -4.644 7.359 2.033 401 H GLU 56 H GLU 56 -6.265 -0.620 -3.287 402 HA GLU 56 HA GLU 56 -8.408 1.137 -4.151 403 HB2 GLU 56 1HB GLU 56 -8.098 0.466 -6.500 404 HB3 GLU 56 2HB GLU 56 -6.650 1.243 -5.892 405 HG2 GLU 56 1HG GLU 56 -5.923 -1.250 -5.283 406 HG3 GLU 56 2HG GLU 56 -7.121 -1.687 -6.485 407 H GLU 57 H GLU 57 -10.399 0.085 -4.485 408 HA GLU 57 HA GLU 57 -10.935 -2.142 -3.105 409 HB2 GLU 57 1HB GLU 57 -12.256 -0.658 -5.312 410 HB3 GLU 57 2HB GLU 57 -12.800 -2.316 -5.144 411 HG2 GLU 57 1HG GLU 57 -12.538 -0.863 -2.560 412 HG3 GLU 57 2HG GLU 57 -13.733 -0.179 -3.644 413 H TYR 58 H TYR 58 -11.858 -4.322 -4.086 414 HA TYR 58 HA TYR 58 -9.771 -5.806 -5.031 415 HB2 TYR 58 1HB TYR 58 -11.860 -6.720 -4.060 416 HB3 TYR 58 2HB TYR 58 -12.829 -5.968 -5.311 417 HD1 TYR 58 2HD TYR 58 -9.833 -8.245 -5.283 418 HD2 TYR 58 1HD TYR 58 -13.778 -7.498 -6.761 419 HE1 TYR 58 2HE TYR 58 -9.731 -10.382 -6.656 420 HE2 TYR 58 1HE TYR 58 -13.663 -9.637 -8.129 421 HH TYR 58 HH TYR 58 -12.141 -11.959 -7.713 422 H ASN 59 H ASN 59 -12.631 -4.743 -7.020 423 HA ASN 59 HA ASN 59 -10.785 -4.663 -9.270 424 HB2 ASN 59 1HB ASN 59 -12.371 -6.701 -9.262 425 HB3 ASN 59 2HB ASN 59 -13.702 -5.575 -9.434 426 HD21 ASN 59 1HD2 ASN 59 -13.540 -7.348 -11.332 427 HD22 ASN 59 2HD2 ASN 59 -12.911 -6.722 -12.819 428 H ARG 60 H ARG 60 -10.959 -2.298 -8.244 429 HA ARG 60 HA ARG 60 -12.796 -0.892 -9.898 430 HB2 ARG 60 1HB ARG 60 -12.935 -0.060 -7.003 431 HB3 ARG 60 2HB ARG 60 -14.142 0.119 -8.261 432 HG2 ARG 60 1HG ARG 60 -14.664 -2.287 -8.178 433 HG3 ARG 60 2HG ARG 60 -13.356 -2.571 -7.047 434 HD2 ARG 60 1HD ARG 60 -14.784 -2.156 -5.333 435 HD3 ARG 60 2HD ARG 60 -14.928 -0.497 -5.881 436 HE ARG 60 HE ARG 60 -17.017 -1.002 -6.821 437 HH11 ARG 60 2HH2 ARG 60 -15.310 -3.993 -6.097 438 HH12 ARG 60 1HH2 ARG 60 -16.676 -5.003 -6.434 439 HH21 ARG 60 2HH1 ARG 60 -18.819 -2.334 -7.266 440 HH22 ARG 60 1HH1 ARG 60 -18.685 -4.054 -7.104 441 H THR 61 H THR 61 -11.458 0.647 -10.789 442 HA THR 61 HA THR 61 -9.117 1.496 -9.301 443 HB THR 61 HB THR 61 -10.134 2.080 -12.133 444 HG1 THR 61 1HG THR 61 -8.091 0.332 -10.949 445 HG21 THR 61 1HG2 THR 61 -7.567 2.720 -10.636 446 HG22 THR 61 2HG2 THR 61 -7.514 2.377 -12.381 447 HG23 THR 61 3HG2 THR 61 -8.476 3.745 -11.773 448 H ASN 62 H ASN 62 -12.371 2.592 -9.954 449 HA ASN 62 HA ASN 62 -11.962 5.304 -9.843 450 HB2 ASN 62 1HB ASN 62 -14.288 3.554 -8.907 451 HB3 ASN 62 2HB ASN 62 -14.380 5.304 -8.888 452 HD21 ASN 62 1HD2 ASN 62 -14.870 2.527 -10.666 453 HD22 ASN 62 2HD2 ASN 62 -15.047 3.194 -12.255 454 H THR 63 H THR 63 -11.541 2.822 -7.450 455 HA THR 63 HA THR 63 -11.654 4.807 -5.275 456 HB THR 63 HB THR 63 -11.974 2.765 -3.826 457 HG1 THR 63 1HG THR 63 -10.855 1.508 -5.715 458 HG21 THR 63 1HG2 THR 63 -13.854 3.218 -6.180 459 HG22 THR 63 2HG2 THR 63 -14.180 1.937 -4.988 460 HG23 THR 63 3HG2 THR 63 -14.107 3.638 -4.469 461 H ARG 64 H ARG 64 -9.460 4.764 -7.106 462 HA ARG 64 HA ARG 64 -7.436 3.304 -5.674 463 HB2 ARG 64 1HB ARG 64 -7.664 3.587 -8.293 464 HB3 ARG 64 2HB ARG 64 -6.931 5.157 -8.033 465 HG2 ARG 64 1HG ARG 64 -5.565 2.864 -6.680 466 HG3 ARG 64 2HG ARG 64 -5.500 2.850 -8.431 467 HD2 ARG 64 1HD ARG 64 -4.608 5.202 -8.405 468 HD3 ARG 64 2HD ARG 64 -4.647 5.189 -6.653 469 HE ARG 64 HE ARG 64 -2.673 3.946 -6.660 470 HH11 ARG 64 2HH2 ARG 64 -4.247 3.577 -9.785 471 HH12 ARG 64 1HH2 ARG 64 -2.945 2.667 -10.477 472 HH21 ARG 64 2HH1 ARG 64 -0.955 2.746 -7.572 473 HH22 ARG 64 1HH1 ARG 64 -1.060 2.192 -9.209 474 H VAL 65 H VAL 65 -5.523 4.379 -4.760 475 HA VAL 65 HA VAL 65 -5.867 7.265 -4.370 476 HB VAL 65 HB VAL 65 -5.129 5.242 -2.246 477 HG11 VAL 65 1HG1 VAL 65 -3.984 7.245 -1.733 478 HG12 VAL 65 2HG1 VAL 65 -5.362 8.259 -2.228 479 HG13 VAL 65 3HG1 VAL 65 -5.462 7.285 -0.741 480 HG21 VAL 65 1HG2 VAL 65 -7.358 6.310 -1.269 481 HG22 VAL 65 2HG2 VAL 65 -7.715 6.547 -2.997 482 HG23 VAL 65 3HG2 VAL 65 -7.396 4.912 -2.371 483 H THR 66 H THR 66 -3.785 8.343 -3.714 484 HA THR 66 HA THR 66 -1.416 6.801 -4.461 485 HB THR 66 HB THR 66 -2.290 9.453 -5.725 486 HG1 THR 66 1HG THR 66 -1.835 6.709 -6.671 487 HG21 THR 66 1HG2 THR 66 -0.147 9.673 -6.485 488 HG22 THR 66 2HG2 THR 66 0.333 8.346 -5.402 489 HG23 THR 66 3HG2 THR 66 -0.161 7.994 -7.075 490 H HIS 67 H HIS 67 -0.105 6.896 -2.755 491 HA HIS 67 HA HIS 67 0.177 9.519 -1.496 492 HB2 HIS 67 1HB HIS 67 -0.548 6.916 -0.238 493 HB3 HIS 67 2HB HIS 67 0.593 7.925 0.628 494 HD1 HIS 67 1HD HIS 67 -0.600 10.736 0.058 495 HD2 HIS 67 2HD HIS 67 -2.869 7.381 1.149 496 HE1 HIS 67 1HE HIS 67 -2.760 11.635 1.075 497 H TYR 68 H TYR 68 2.302 9.912 -0.555 498 HA TYR 68 HA TYR 68 4.330 8.010 -1.514 499 HB2 TYR 68 1HB TYR 68 4.262 11.092 -1.461 500 HB3 TYR 68 2HB TYR 68 5.663 10.162 -1.952 501 HD1 TYR 68 2HD TYR 68 5.297 8.496 -3.958 502 HD2 TYR 68 1HD TYR 68 2.722 11.796 -3.072 503 HE1 TYR 68 2HE TYR 68 4.437 8.476 -6.350 504 HE2 TYR 68 1HE TYR 68 1.871 11.765 -5.468 505 HH TYR 68 HH TYR 68 3.245 9.518 -7.840 506 H LEU 69 H LEU 69 5.606 7.251 0.095 507 HA LEU 69 HA LEU 69 5.811 8.926 2.501 508 HB2 LEU 69 1HB LEU 69 6.167 5.956 2.550 509 HB3 LEU 69 2HB LEU 69 5.738 7.051 3.849 510 HG LEU 69 HG LEU 69 3.830 6.669 1.561 511 HD11 LEU 69 1HD1 LEU 69 4.659 4.597 3.475 512 HD12 LEU 69 2HD1 LEU 69 2.903 4.881 3.412 513 HD13 LEU 69 3HD1 LEU 69 3.791 4.460 1.928 514 HD21 LEU 69 1HD2 LEU 69 3.437 8.426 3.262 515 HD22 LEU 69 2HD2 LEU 69 2.154 7.193 3.218 516 HD23 LEU 69 3HD2 LEU 69 3.373 7.164 4.515 517 HA PRO 70 HA PRO 70 10.092 8.824 1.977 518 HB2 PRO 70 1HB PRO 70 11.046 8.870 4.537 519 HB3 PRO 70 2HB PRO 70 10.442 10.294 3.714 520 HG2 PRO 70 1HG PRO 70 9.147 8.689 5.832 521 HG3 PRO 70 2HG PRO 70 8.773 10.318 5.306 522 HD2 PRO 70 1HD PRO 70 7.311 7.933 4.675 523 HD3 PRO 70 2HD PRO 70 7.006 9.544 4.056 524 H ASN 71 H ASN 71 12.280 7.765 2.728 525 HA ASN 71 HA ASN 71 11.737 4.989 2.331 526 HB2 ASN 71 1HB ASN 71 14.247 4.816 2.194 527 HB3 ASN 71 2HB ASN 71 13.608 6.035 1.109 528 HD21 ASN 71 1HD2 ASN 71 16.253 5.899 2.068 529 HD22 ASN 71 2HD2 ASN 71 16.592 7.308 3.016 530 H VAL 72 H VAL 72 11.156 6.575 4.955 531 HA VAL 72 HA VAL 72 12.798 4.919 6.745 532 HB VAL 72 HB VAL 72 12.593 6.619 8.393 533 HG11 VAL 72 1HG1 VAL 72 13.296 7.768 5.675 534 HG12 VAL 72 2HG1 VAL 72 13.627 8.592 7.218 535 HG13 VAL 72 3HG1 VAL 72 14.393 7.025 6.863 536 HG21 VAL 72 1HG2 VAL 72 11.282 8.737 6.922 537 HG22 VAL 72 2HG2 VAL 72 10.219 7.314 7.042 538 HG23 VAL 72 3HG2 VAL 72 10.887 8.053 8.517 539 H THR 73 H THR 73 9.611 5.772 5.554 540 HA THR 73 HA THR 73 8.366 4.268 7.747 541 HB THR 73 HB THR 73 7.348 6.260 5.662 542 HG1 THR 73 1HG THR 73 7.517 6.008 8.583 543 HG21 THR 73 1HG2 THR 73 5.159 6.065 6.897 544 HG22 THR 73 2HG2 THR 73 5.559 4.575 6.010 545 HG23 THR 73 3HG2 THR 73 5.807 4.657 7.770 546 H LEU 74 H LEU 74 7.420 2.315 7.468 547 HA LEU 74 HA LEU 74 7.300 1.345 4.698 548 HB2 LEU 74 1HB LEU 74 7.963 -0.445 7.012 549 HB3 LEU 74 2HB LEU 74 8.185 -0.725 5.297 550 HG LEU 74 HG LEU 74 9.722 1.469 6.662 551 HD11 LEU 74 1HD1 LEU 74 10.506 -1.459 6.654 552 HD12 LEU 74 2HD1 LEU 74 11.529 -0.099 7.176 553 HD13 LEU 74 3HD1 LEU 74 10.046 -0.494 8.078 554 HD21 LEU 74 1HD2 LEU 74 11.030 -0.189 4.632 555 HD22 LEU 74 2HD2 LEU 74 9.563 0.631 4.046 556 HD23 LEU 74 3HD2 LEU 74 10.888 1.581 4.761 557 H GLU 75 H GLU 75 5.551 2.387 7.289 558 HA GLU 75 HA GLU 75 3.404 0.551 6.594 559 HB2 GLU 75 1HB GLU 75 2.654 0.768 9.052 560 HB3 GLU 75 2HB GLU 75 4.030 -0.268 8.732 561 HG2 GLU 75 1HG GLU 75 4.830 2.539 9.179 562 HG3 GLU 75 2HG GLU 75 3.958 1.874 10.546 563 H TYR 76 H TYR 76 1.270 1.493 6.615 564 HA TYR 76 HA TYR 76 1.131 4.342 7.212 565 HB2 TYR 76 1HB TYR 76 1.769 3.976 4.765 566 HB3 TYR 76 2HB TYR 76 0.376 2.931 4.576 567 HD1 TYR 76 1HD TYR 76 -1.891 3.856 4.456 568 HD2 TYR 76 2HD TYR 76 1.513 6.408 4.906 569 HE1 TYR 76 1HE TYR 76 -3.306 5.869 3.815 570 HE2 TYR 76 2HE TYR 76 0.087 8.412 4.263 571 HH TYR 76 HH TYR 76 -3.354 7.993 3.463 572 H ARG 77 H ARG 77 -1.084 5.126 7.442 573 HA ARG 77 HA ARG 77 -2.817 2.925 8.168 574 HB2 ARG 77 1HB ARG 77 -2.359 4.642 9.908 575 HB3 ARG 77 2HB ARG 77 -2.945 5.907 8.846 576 HG2 ARG 77 1HG ARG 77 -5.076 5.536 9.522 577 HG3 ARG 77 2HG ARG 77 -4.984 3.868 8.990 578 HD2 ARG 77 1HD ARG 77 -5.505 3.894 11.381 579 HD3 ARG 77 2HD ARG 77 -3.887 3.252 11.173 580 HE ARG 77 HE ARG 77 -3.379 5.923 11.523 581 HH11 ARG 77 2HH2 ARG 77 -5.358 3.644 13.331 582 HH12 ARG 77 1HH2 ARG 77 -5.143 4.461 14.843 583 HH21 ARG 77 2HH1 ARG 77 -3.094 7.001 13.518 584 HH22 ARG 77 1HH1 ARG 77 -3.847 6.383 14.950 585 H VAL 78 H VAL 78 -4.228 2.320 6.548 586 HA VAL 78 HA VAL 78 -4.980 4.231 4.533 587 HB VAL 78 HB VAL 78 -5.737 1.340 4.997 588 HG11 VAL 78 1HG1 VAL 78 -7.411 1.914 3.567 589 HG12 VAL 78 2HG1 VAL 78 -6.541 3.336 2.941 590 HG13 VAL 78 3HG1 VAL 78 -6.123 1.708 2.356 591 HG21 VAL 78 1HG2 VAL 78 -3.774 0.773 4.104 592 HG22 VAL 78 2HG2 VAL 78 -4.072 1.812 2.690 593 HG23 VAL 78 3HG2 VAL 78 -3.296 2.487 4.143 594 H THR 79 H THR 79 -7.033 5.131 4.206 595 HA THR 79 HA THR 79 -9.191 4.386 5.972 596 HB THR 79 HB THR 79 -9.370 6.772 6.844 597 HG1 THR 79 1HG THR 79 -6.652 6.776 5.735 598 HG21 THR 79 1HG2 THR 79 -7.668 6.585 8.538 599 HG22 THR 79 2HG2 THR 79 -8.086 4.904 8.128 600 HG23 THR 79 3HG2 THR 79 -6.605 5.639 7.468 601 H GLY 80 H GLY 80 -11.242 5.252 5.313 602 HA2 GLY 80 1HA GLY 80 -12.609 6.443 3.861 603 HA3 GLY 80 2HA GLY 80 -11.253 6.736 2.791 604 H LEU 81 H LEU 81 -11.545 3.474 4.049 605 HA LEU 81 HA LEU 81 -12.068 2.520 1.385 606 HB2 LEU 81 1HB LEU 81 -11.827 0.804 3.832 607 HB3 LEU 81 2HB LEU 81 -11.416 0.430 2.169 608 HG LEU 81 HG LEU 81 -9.907 2.478 3.806 609 HD11 LEU 81 1HD1 LEU 81 -10.005 -0.182 4.454 610 HD12 LEU 81 2HD1 LEU 81 -8.597 -0.114 3.368 611 HD13 LEU 81 3HD1 LEU 81 -8.655 0.921 4.814 612 HD21 LEU 81 1HD2 LEU 81 -8.259 1.285 1.873 613 HD22 LEU 81 2HD2 LEU 81 -9.806 1.608 1.053 614 HD23 LEU 81 3HD2 LEU 81 -8.935 2.932 1.863 615 H THR 82 H THR 82 -13.469 0.067 2.494 616 HA THR 82 HA THR 82 -16.066 1.252 3.162 617 HB THR 82 HB THR 82 -15.566 -0.802 0.944 618 HG1 THR 82 1HG THR 82 -15.988 1.099 -0.374 619 HG21 THR 82 1HG2 THR 82 -17.927 -0.100 0.308 620 HG22 THR 82 2HG2 THR 82 -17.849 -0.994 1.845 621 HG23 THR 82 3HG2 THR 82 -18.029 0.777 1.854 622 H ALA 83 H ALA 83 -17.492 -0.112 4.323 623 HA ALA 83 HA ALA 83 -16.129 -1.892 6.046 624 HB1 ALA 83 1HB ALA 83 -18.708 -2.364 6.601 625 HB2 ALA 83 2HB ALA 83 -17.898 -0.860 7.102 626 HB3 ALA 83 3HB ALA 83 -18.921 -0.878 5.646 627 H LEU 84 H LEU 84 -16.067 -4.141 6.097 628 HA LEU 84 HA LEU 84 -15.877 -6.124 5.097 629 HB2 LEU 84 1HB LEU 84 -18.822 -5.633 4.637 630 HB3 LEU 84 2HB LEU 84 -18.028 -7.194 4.626 631 HG LEU 84 HG LEU 84 -18.543 -5.364 6.964 632 HD11 LEU 84 1HD1 LEU 84 -19.194 -8.270 6.404 633 HD12 LEU 84 2HD1 LEU 84 -19.540 -7.415 7.926 634 HD13 LEU 84 3HD1 LEU 84 -20.327 -6.897 6.416 635 HD21 LEU 84 1HD2 LEU 84 -17.227 -7.081 8.319 636 HD22 LEU 84 2HD2 LEU 84 -16.500 -7.578 6.772 637 HD23 LEU 84 3HD2 LEU 84 -16.292 -5.910 7.358 638 H THR 85 H THR 85 -14.645 -4.536 3.420 639 HA THR 85 HA THR 85 -15.653 -5.383 0.798 640 HB THR 85 HB THR 85 -14.917 -2.589 1.760 641 HG1 THR 85 1HG THR 85 -16.950 -2.291 0.522 642 HG21 THR 85 1HG2 THR 85 -15.114 -3.534 -1.148 643 HG22 THR 85 2HG2 THR 85 -14.858 -1.862 -0.592 644 HG23 THR 85 3HG2 THR 85 -13.588 -3.085 -0.350 645 H THR 86 H THR 86 -14.097 -5.982 -0.700 646 HA THR 86 HA THR 86 -11.526 -6.585 0.490 647 HB THR 86 HB THR 86 -12.638 -7.199 -2.296 648 HG1 THR 86 1HG THR 86 -14.037 -7.999 -0.599 649 HG21 THR 86 1HG2 THR 86 -10.142 -7.648 -1.787 650 HG22 THR 86 2HG2 THR 86 -10.704 -8.788 -0.541 651 HG23 THR 86 3HG2 THR 86 -11.100 -9.073 -2.252 652 H TYR 87 H TYR 87 -9.746 -5.381 0.341 653 HA TYR 87 HA TYR 87 -9.588 -3.533 -1.939 654 HB2 TYR 87 1HB TYR 87 -9.248 -3.210 1.079 655 HB3 TYR 87 2HB TYR 87 -8.276 -2.197 0.031 656 HD1 TYR 87 1HD TYR 87 -11.676 -2.911 1.227 657 HD2 TYR 87 2HD TYR 87 -9.302 -0.437 -1.331 658 HE1 TYR 87 1HE TYR 87 -13.608 -1.273 1.006 659 HE2 TYR 87 2HE TYR 87 -11.242 1.192 -1.544 660 HH TYR 87 HH TYR 87 -13.452 1.609 0.299 661 H THR 88 H THR 88 -7.489 -3.171 -2.784 662 HA THR 88 HA THR 88 -5.444 -4.997 -1.701 663 HB THR 88 HB THR 88 -6.538 -4.514 -4.445 664 HG1 THR 88 1HG THR 88 -4.951 -6.563 -3.063 665 HG21 THR 88 1HG2 THR 88 -4.159 -3.601 -4.603 666 HG22 THR 88 2HG2 THR 88 -3.582 -5.167 -3.982 667 HG23 THR 88 3HG2 THR 88 -4.423 -5.086 -5.549 668 H ILE 89 H ILE 89 -3.992 -3.863 -0.570 669 HA ILE 89 HA ILE 89 -3.470 -1.125 -1.349 670 HB ILE 89 HB ILE 89 -2.136 -2.608 0.892 671 HG12 ILE 89 1HG1 ILE 89 -4.359 -3.199 1.337 672 HG13 ILE 89 2HG1 ILE 89 -4.076 -1.778 2.323 673 HG21 ILE 89 1HG2 ILE 89 -2.190 -0.371 1.943 674 HG22 ILE 89 2HG2 ILE 89 -1.294 -0.393 0.405 675 HG23 ILE 89 3HG2 ILE 89 -2.940 0.283 0.467 676 HD11 ILE 89 1HD1 ILE 89 -6.021 -2.163 0.199 677 HD12 ILE 89 2HD1 ILE 89 -5.868 -0.806 1.341 678 HD13 ILE 89 3HD1 ILE 89 -4.963 -0.786 -0.191 679 H GLU 90 H GLU 90 -1.911 -0.575 -2.767 680 HA GLU 90 HA GLU 90 0.100 -2.599 -3.306 681 HB2 GLU 90 1HB GLU 90 -0.626 -0.120 -4.929 682 HB3 GLU 90 2HB GLU 90 0.474 -1.390 -5.427 683 HG2 GLU 90 1HG GLU 90 -1.227 -2.849 -5.957 684 HG3 GLU 90 2HG GLU 90 -2.211 -2.367 -4.589 685 H VAL 91 H VAL 91 2.087 -2.349 -2.391 686 HA VAL 91 HA VAL 91 2.861 0.386 -1.646 687 HB VAL 91 HB VAL 91 3.619 -2.298 -0.477 688 HG11 VAL 91 1HG1 VAL 91 5.256 -1.344 0.770 689 HG12 VAL 91 2HG1 VAL 91 5.301 -0.178 -0.574 690 HG13 VAL 91 3HG1 VAL 91 4.397 0.209 0.910 691 HG21 VAL 91 1HG2 VAL 91 2.095 0.006 0.782 692 HG22 VAL 91 2HG2 VAL 91 1.334 -1.439 0.074 693 HG23 VAL 91 3HG2 VAL 91 2.405 -1.599 1.487 694 H ALA 92 H ALA 92 4.295 1.276 -3.031 695 HA ALA 92 HA ALA 92 6.147 -0.566 -4.379 696 HB1 ALA 92 1HB ALA 92 4.418 1.567 -5.312 697 HB2 ALA 92 2HB ALA 92 6.117 1.947 -5.682 698 HB3 ALA 92 3HB ALA 92 5.401 0.421 -6.255 699 H ALA 93 H ALA 93 8.328 0.497 -4.909 700 HA ALA 93 HA ALA 93 9.110 2.190 -2.633 701 HB1 ALA 93 1HB ALA 93 10.810 0.132 -4.093 702 HB2 ALA 93 2HB ALA 93 11.226 1.022 -2.608 703 HB3 ALA 93 3HB ALA 93 9.929 -0.198 -2.582 704 H MET 94 H MET 94 10.769 3.797 -3.065 705 HA MET 94 HA MET 94 11.090 4.322 -5.914 706 HB2 MET 94 1HB MET 94 10.665 6.447 -3.746 707 HB3 MET 94 2HB MET 94 10.714 6.721 -5.476 708 HG2 MET 94 1HG MET 94 8.572 5.837 -5.826 709 HG3 MET 94 2HG MET 94 8.668 4.761 -4.447 710 HE1 MET 94 1HE MET 94 7.500 9.117 -4.668 711 HE2 MET 94 2HE MET 94 8.189 8.046 -5.912 712 HE3 MET 94 3HE MET 94 6.501 7.833 -5.389 713 H THR 95 H THR 95 13.137 5.073 -6.560 714 HA THR 95 HA THR 95 15.093 5.395 -4.378 715 HB THR 95 HB THR 95 16.660 4.353 -6.235 716 HG1 THR 95 1HG THR 95 15.456 3.718 -7.980 717 HG21 THR 95 1HG2 THR 95 14.616 2.935 -4.520 718 HG22 THR 95 2HG2 THR 95 15.487 1.976 -5.741 719 HG23 THR 95 3HG2 THR 95 16.392 2.831 -4.469 720 H SER 96 H SER 96 17.276 6.104 -6.038 721 HA SER 96 HA SER 96 16.604 8.823 -6.385 722 HB2 SER 96 1HB SER 96 18.950 9.144 -6.852 723 HB3 SER 96 2HB SER 96 18.834 7.951 -5.573 724 HG SER 96 HG SER 96 18.818 6.412 -7.642 725 H LYS 97 H LYS 97 15.934 6.166 -8.269 726 HA LYS 97 HA LYS 97 16.375 7.620 -10.779 727 HB2 LYS 97 1HB LYS 97 17.144 5.698 -11.583 728 HB3 LYS 97 2HB LYS 97 16.907 4.936 -10.023 729 HG2 LYS 97 1HG LYS 97 15.616 3.631 -11.560 730 HG3 LYS 97 2HG LYS 97 14.445 4.595 -10.683 731 HD2 LYS 97 1HD LYS 97 15.202 6.232 -12.862 732 HD3 LYS 97 2HD LYS 97 15.100 4.622 -13.547 733 HE2 LYS 97 1HE LYS 97 12.845 5.078 -11.746 734 HE3 LYS 97 2HE LYS 97 12.940 6.373 -12.923 735 HZ1 LYS 97 1HZ LYS 97 13.365 4.248 -14.447 736 HZ2 LYS 97 2HZ LYS 97 12.369 3.596 -13.330 737 HZ3 LYS 97 3HZ LYS 97 11.889 4.897 -14.193 738 H GLY 98 H GLY 98 13.983 5.755 -8.820 739 HA2 GLY 98 1HA GLY 98 11.832 7.361 -9.181 740 HA3 GLY 98 2HA GLY 98 11.826 6.376 -10.630 741 H GLN 99 H GLN 99 9.756 5.478 -9.833 742 HA GLN 99 HA GLN 99 9.977 3.849 -7.471 743 HB2 GLN 99 1HB GLN 99 7.945 5.268 -7.947 744 HB3 GLN 99 2HB GLN 99 7.599 4.259 -9.337 745 HG2 GLN 99 1HG GLN 99 8.014 2.451 -7.176 746 HG3 GLN 99 2HG GLN 99 7.044 3.751 -6.514 747 HE21 GLN 99 1HE2 GLN 99 4.989 4.123 -7.231 748 HE22 GLN 99 2HE2 GLN 99 4.106 3.040 -8.254 749 H GLY 100 H GLY 100 9.682 1.540 -7.448 750 HA2 GLY 100 1HA GLY 100 10.136 0.280 -10.088 751 HA3 GLY 100 2HA GLY 100 10.843 -0.272 -8.583 752 H GLN 101 H GLN 101 9.885 -2.389 -8.846 753 HA GLN 101 HA GLN 101 7.367 -3.006 -9.435 754 HB2 GLN 101 1HB GLN 101 9.443 -4.453 -8.618 755 HB3 GLN 101 2HB GLN 101 8.632 -4.391 -7.066 756 HG2 GLN 101 1HG GLN 101 6.914 -5.761 -7.750 757 HG3 GLN 101 2HG GLN 101 6.836 -5.045 -9.348 758 HE21 GLN 101 1HE2 GLN 101 6.766 -7.825 -8.616 759 HE22 GLN 101 2HE2 GLN 101 8.095 -8.621 -9.391 760 H VAL 102 H VAL 102 5.542 -3.821 -7.906 761 HA VAL 102 HA VAL 102 5.343 -2.126 -5.533 762 HB VAL 102 HB VAL 102 4.211 -1.300 -7.802 763 HG11 VAL 102 1HG1 VAL 102 1.853 -2.714 -6.593 764 HG12 VAL 102 2HG1 VAL 102 2.078 -2.076 -8.239 765 HG13 VAL 102 3HG1 VAL 102 2.896 -3.579 -7.748 766 HG21 VAL 102 1HG2 VAL 102 3.983 -0.712 -5.078 767 HG22 VAL 102 2HG2 VAL 102 3.413 0.282 -6.440 768 HG23 VAL 102 3HG2 VAL 102 2.303 -0.863 -5.648 769 H SER 103 H SER 103 4.285 -3.107 -3.807 770 HA SER 103 HA SER 103 3.610 -5.886 -4.310 771 HB2 SER 103 1HB SER 103 4.548 -4.344 -1.886 772 HB3 SER 103 2HB SER 103 3.659 -5.835 -1.649 773 HG SER 103 HG SER 103 5.400 -6.538 -3.461 774 H ALA 104 H ALA 104 1.439 -6.121 -4.762 775 HA ALA 104 HA ALA 104 -0.426 -4.455 -3.228 776 HB1 ALA 104 1HB ALA 104 -0.257 -4.579 -5.874 777 HB2 ALA 104 2HB ALA 104 -1.209 -6.066 -5.645 778 HB3 ALA 104 3HB ALA 104 -1.841 -4.506 -5.066 779 H SER 105 H SER 105 -1.452 -5.420 -1.555 780 HA SER 105 HA SER 105 -1.747 -8.317 -1.746 781 HB2 SER 105 1HB SER 105 -0.626 -6.620 0.365 782 HB3 SER 105 2HB SER 105 -1.942 -7.600 0.981 783 HG SER 105 HG SER 105 -0.439 -9.202 -0.601 784 H THR 106 H THR 106 -3.837 -9.108 -1.569 785 HA THR 106 HA THR 106 -5.966 -7.185 -1.420 786 HB THR 106 HB THR 106 -6.471 -10.145 -1.377 787 HG1 THR 106 1HG THR 106 -4.916 -10.381 -2.933 788 HG21 THR 106 1HG2 THR 106 -7.475 -7.675 -2.771 789 HG22 THR 106 2HG2 THR 106 -7.512 -9.190 -3.706 790 HG23 THR 106 3HG2 THR 106 -8.389 -9.075 -2.161 791 H ILE 107 H ILE 107 -7.171 -6.587 0.279 792 HA ILE 107 HA ILE 107 -7.258 -8.353 2.581 793 HB ILE 107 HB ILE 107 -5.299 -6.967 2.977 794 HG12 ILE 107 1HG1 ILE 107 -6.186 -5.842 5.137 795 HG13 ILE 107 2HG1 ILE 107 -7.736 -6.530 4.698 796 HG21 ILE 107 1HG2 ILE 107 -5.170 -4.830 2.400 797 HG22 ILE 107 2HG2 ILE 107 -6.825 -4.934 1.755 798 HG23 ILE 107 3HG2 ILE 107 -6.557 -4.422 3.439 799 HD11 ILE 107 1HD1 ILE 107 -6.938 -8.766 4.854 800 HD12 ILE 107 2HD1 ILE 107 -5.235 -8.254 4.758 801 HD13 ILE 107 3HD1 ILE 107 -6.178 -7.937 6.235 802 H SER 108 H SER 108 -9.241 -8.307 3.587 803 HA SER 108 HA SER 108 -11.112 -6.412 2.418 804 HB2 SER 108 1HB SER 108 -11.609 -8.843 2.130 805 HB3 SER 108 2HB SER 108 -11.637 -9.043 3.871 806 HG SER 108 HG SER 108 -13.632 -8.168 2.204 807 H SER 109 H SER 109 -11.876 -4.762 3.696 808 HA SER 109 HA SER 109 -10.932 -4.085 6.060 809 HB2 SER 109 1HB SER 109 -13.023 -2.783 6.430 810 HB3 SER 109 2HB SER 109 -12.454 -2.661 4.777 811 HG SER 109 HG SER 109 -14.690 -3.052 4.708 812 H GLY 110 H GLY 110 -11.634 -4.255 8.329 813 HA2 GLY 110 1HA GLY 110 -12.237 -6.884 9.123 814 HA3 GLY 110 2HA GLY 110 -12.203 -5.458 10.140 815 H VAL 111 H VAL 111 -14.145 -4.231 10.519 816 HA VAL 111 HA VAL 111 -16.553 -4.710 9.209 817 HB VAL 111 HB VAL 111 -16.417 -6.936 10.148 818 HG11 VAL 111 1HG1 VAL 111 -16.219 -5.565 12.851 819 HG12 VAL 111 2HG1 VAL 111 -16.425 -7.313 12.588 820 HG13 VAL 111 3HG1 VAL 111 -14.938 -6.501 12.043 821 HG21 VAL 111 1HG2 VAL 111 -18.480 -5.113 11.411 822 HG22 VAL 111 2HG2 VAL 111 -18.639 -6.118 9.950 823 HG23 VAL 111 3HG2 VAL 111 -18.537 -6.886 11.552 824 HA PRO 112 HA PRO 112 -17.195 -1.122 11.543 825 HB2 PRO 112 1HB PRO 112 -19.799 -0.601 10.895 826 HB3 PRO 112 2HB PRO 112 -18.450 -0.176 9.860 827 HG2 PRO 112 1HG PRO 112 -20.396 -2.380 9.556 828 HG3 PRO 112 2HG PRO 112 -19.331 -1.682 8.352 829 HD2 PRO 112 1HD PRO 112 -18.972 -4.177 9.721 830 HD3 PRO 112 2HD PRO 112 -17.852 -3.424 8.604 831 HA PRO 113 HA PRO 113 -18.798 -2.593 15.225 832 HB2 PRO 113 1HB PRO 113 -17.999 -0.548 16.853 833 HB3 PRO 113 2HB PRO 113 -16.965 -1.899 16.434 834 HG2 PRO 113 1HG PRO 113 -16.881 0.880 15.430 835 HG3 PRO 113 2HG PRO 113 -15.635 -0.350 15.362 836 HD2 PRO 113 1HD PRO 113 -17.326 0.501 13.207 837 HD3 PRO 113 2HD PRO 113 -16.160 -0.807 13.171 838 H SER 114 H SER 114 -20.745 -1.864 13.602 839 HA SER 114 HA SER 114 -22.087 0.363 14.785 840 HB2 SER 114 1HB SER 114 -22.105 -0.376 12.286 841 HB3 SER 114 2HB SER 114 -23.269 -1.589 12.780 842 HG SER 114 HG SER 114 -24.711 0.046 13.463 843 H GLY 115 H GLY 115 -22.992 0.036 16.797 844 HA2 GLY 115 1HA GLY 115 -24.679 -0.750 18.150 845 HA3 GLY 115 2HA GLY 115 -24.941 -2.107 17.073 846 HA PRO 116 HA PRO 116 -22.349 -3.383 20.690 847 HB2 PRO 116 1HB PRO 116 -24.207 -4.648 22.245 848 HB3 PRO 116 2HB PRO 116 -23.687 -2.999 22.525 849 HG2 PRO 116 1HG PRO 116 -26.221 -3.969 21.353 850 HG3 PRO 116 2HG PRO 116 -25.855 -2.392 22.026 851 HD2 PRO 116 1HD PRO 116 -26.040 -3.071 19.245 852 HD3 PRO 116 2HD PRO 116 -25.561 -1.525 19.917 853 H SER 117 H SER 117 -22.204 -5.758 21.713 854 HA SER 117 HA SER 117 -21.819 -7.844 21.260 855 HB2 SER 117 1HB SER 117 -24.297 -7.966 20.983 856 HB3 SER 117 2HB SER 117 -24.125 -7.616 19.274 857 HG SER 117 HG SER 117 -24.332 -9.946 19.882 858 H SER 118 H SER 118 -20.910 -9.392 19.570 859 HA SER 118 HA SER 118 -19.403 -9.738 18.036 860 HB2 SER 118 1HB SER 118 -21.417 -9.727 16.611 861 HB3 SER 118 2HB SER 118 -21.281 -7.995 16.382 862 HG SER 118 HG SER 118 -19.204 -8.365 15.324 863 H GLY 119 H GLY 119 -17.554 -8.687 18.906 864 HA2 GLY 119 1HA GLY 119 -15.823 -7.247 17.927 865 HA3 GLY 119 2HA GLY 119 -17.034 -5.985 17.816 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.515 -13.239 6.000 2 HA2 GLY 1 1HA GLY 1 1.587 -14.864 4.598 3 HA3 GLY 1 2HA GLY 1 0.178 -15.895 4.750 4 H SER 2 H SER 2 1.396 -14.934 2.257 5 HA SER 2 HA SER 2 -0.992 -13.992 1.062 6 HB2 SER 2 1HB SER 2 -0.287 -11.800 1.665 7 HB3 SER 2 2HB SER 2 1.399 -12.149 1.339 8 HG SER 2 HG SER 2 -0.463 -11.108 -0.344 9 H SER 3 H SER 3 -0.928 -14.266 -1.279 10 HA SER 3 HA SER 3 1.551 -15.080 -2.437 11 HB2 SER 3 1HB SER 3 -0.701 -17.040 -1.917 12 HB3 SER 3 2HB SER 3 0.352 -17.260 -3.300 13 HG SER 3 HG SER 3 1.958 -17.901 -2.019 14 H GLY 4 H GLY 4 1.558 -14.577 -4.640 15 HA2 GLY 4 1HA GLY 4 -0.886 -13.368 -5.683 16 HA3 GLY 4 2HA GLY 4 0.736 -13.234 -6.334 17 H SER 5 H SER 5 -0.385 -13.714 -8.441 18 HA SER 5 HA SER 5 -0.198 -16.529 -8.914 19 HB2 SER 5 1HB SER 5 -2.764 -15.335 -8.501 20 HB3 SER 5 2HB SER 5 -2.633 -15.644 -10.221 21 HG SER 5 HG SER 5 -1.919 -17.664 -8.292 22 H SER 6 H SER 6 0.649 -16.889 -10.971 23 HA SER 6 HA SER 6 0.818 -14.508 -12.640 24 HB2 SER 6 1HB SER 6 2.910 -15.850 -11.677 25 HB3 SER 6 2HB SER 6 2.587 -16.927 -13.022 26 HG SER 6 HG SER 6 3.740 -15.522 -14.157 27 H GLY 7 H GLY 7 0.473 -14.739 -14.964 28 HA2 GLY 7 1HA GLY 7 -1.329 -16.971 -15.592 29 HA3 GLY 7 2HA GLY 7 -1.210 -15.439 -16.434 30 HA PRO 8 HA PRO 8 1.278 -18.548 -18.699 31 HB2 PRO 8 1HB PRO 8 -0.177 -18.660 -21.009 32 HB3 PRO 8 2HB PRO 8 -0.363 -19.813 -19.703 33 HG2 PRO 8 1HG PRO 8 -2.142 -17.581 -20.472 34 HG3 PRO 8 2HG PRO 8 -2.500 -18.976 -19.474 35 HD2 PRO 8 1HD PRO 8 -2.000 -16.300 -18.569 36 HD3 PRO 8 2HD PRO 8 -2.243 -17.718 -17.567 37 H GLN 9 H GLN 9 2.562 -16.491 -18.308 38 HA GLN 9 HA GLN 9 3.257 -15.611 -20.931 39 HB2 GLN 9 1HB GLN 9 1.432 -14.031 -19.430 40 HB3 GLN 9 2HB GLN 9 2.974 -13.208 -19.306 41 HG2 GLN 9 1HG GLN 9 2.860 -13.973 -22.010 42 HG3 GLN 9 2HG GLN 9 1.206 -13.523 -21.645 43 HE21 GLN 9 1HE2 GLN 9 0.877 -11.458 -20.493 44 HE22 GLN 9 2HE2 GLN 9 1.879 -10.104 -20.896 45 H LEU 10 H LEU 10 5.464 -15.309 -21.027 46 HA LEU 10 HA LEU 10 6.825 -14.899 -18.457 47 HB2 LEU 10 1HB LEU 10 6.850 -17.250 -19.763 48 HB3 LEU 10 2HB LEU 10 8.188 -16.462 -20.576 49 HG LEU 10 HG LEU 10 8.803 -15.948 -17.962 50 HD11 LEU 10 1HD1 LEU 10 8.461 -17.941 -16.641 51 HD12 LEU 10 2HD1 LEU 10 6.888 -17.311 -17.186 52 HD13 LEU 10 3HD1 LEU 10 7.603 -18.730 -17.987 53 HD21 LEU 10 1HD2 LEU 10 10.661 -16.794 -18.831 54 HD22 LEU 10 2HD2 LEU 10 10.013 -18.421 -18.516 55 HD23 LEU 10 3HD2 LEU 10 9.745 -17.648 -20.096 56 H VAL 11 H VAL 11 8.555 -13.443 -18.461 57 HA VAL 11 HA VAL 11 9.635 -12.458 -20.895 58 HB VAL 11 HB VAL 11 7.334 -11.385 -20.736 59 HG11 VAL 11 1HG1 VAL 11 7.332 -10.959 -18.316 60 HG12 VAL 11 2HG1 VAL 11 8.689 -9.823 -18.511 61 HG13 VAL 11 3HG1 VAL 11 7.107 -9.454 -19.239 62 HG21 VAL 11 1HG2 VAL 11 8.096 -9.578 -21.909 63 HG22 VAL 11 2HG2 VAL 11 9.368 -9.201 -20.723 64 HG23 VAL 11 3HG2 VAL 11 9.598 -10.534 -21.879 65 H ARG 12 H ARG 12 11.351 -10.821 -20.453 66 HA ARG 12 HA ARG 12 11.963 -10.382 -17.710 67 HB2 ARG 12 1HB ARG 12 14.141 -11.520 -17.712 68 HB3 ARG 12 2HB ARG 12 12.896 -12.685 -18.111 69 HG2 ARG 12 1HG ARG 12 13.833 -13.106 -20.136 70 HG3 ARG 12 2HG ARG 12 13.839 -11.403 -20.551 71 HD2 ARG 12 1HD ARG 12 16.098 -11.399 -20.325 72 HD3 ARG 12 2HD ARG 12 15.896 -11.692 -18.609 73 HE ARG 12 HE ARG 12 16.598 -13.887 -18.955 74 HH11 ARG 12 2HH2 ARG 12 15.362 -12.616 -21.995 75 HH12 ARG 12 1HH2 ARG 12 15.788 -14.027 -22.905 76 HH21 ARG 12 2HH1 ARG 12 17.159 -15.749 -20.156 77 HH22 ARG 12 1HH1 ARG 12 16.817 -15.821 -21.852 78 H THR 13 H THR 13 13.747 -8.791 -17.467 79 HA THR 13 HA THR 13 15.106 -7.781 -19.742 80 HB THR 13 HB THR 13 12.783 -6.927 -20.206 81 HG1 THR 13 1HG THR 13 13.627 -4.581 -20.055 82 HG21 THR 13 1HG2 THR 13 11.770 -5.275 -18.751 83 HG22 THR 13 2HG2 THR 13 12.157 -6.665 -17.709 84 HG23 THR 13 3HG2 THR 13 13.206 -5.227 -17.701 85 H HIS 14 H HIS 14 15.821 -5.283 -18.966 86 HA HIS 14 HA HIS 14 16.900 -5.801 -16.292 87 HB2 HIS 14 1HB HIS 14 18.131 -4.917 -18.815 88 HB3 HIS 14 2HB HIS 14 18.568 -3.929 -17.435 89 HD1 HIS 14 1HD HIS 14 19.238 -7.195 -19.032 90 HD2 HIS 14 2HD HIS 14 19.864 -5.420 -15.282 91 HE1 HIS 14 1HE HIS 14 20.959 -8.648 -17.831 92 H GLU 15 H GLU 15 16.497 -4.321 -14.693 93 HA GLU 15 HA GLU 15 15.404 -1.771 -15.578 94 HB2 GLU 15 1HB GLU 15 14.340 -3.504 -13.304 95 HB3 GLU 15 2HB GLU 15 13.800 -1.872 -13.645 96 HG2 GLU 15 1HG GLU 15 12.244 -2.841 -14.999 97 HG3 GLU 15 2HG GLU 15 13.556 -3.068 -16.139 98 H ASP 16 H ASP 16 15.521 -0.057 -13.789 99 HA ASP 16 HA ASP 16 18.036 -0.465 -12.402 100 HB2 ASP 16 1HB ASP 16 17.617 1.521 -13.994 101 HB3 ASP 16 2HB ASP 16 16.494 2.137 -12.798 102 H VAL 17 H VAL 17 14.778 1.130 -11.981 103 HA VAL 17 HA VAL 17 14.842 1.708 -9.348 104 HB VAL 17 HB VAL 17 12.316 1.034 -9.492 105 HG11 VAL 17 1HG1 VAL 17 13.693 3.206 -11.089 106 HG12 VAL 17 2HG1 VAL 17 11.922 3.103 -10.938 107 HG13 VAL 17 3HG1 VAL 17 12.928 3.321 -9.486 108 HG21 VAL 17 1HG2 VAL 17 12.855 -0.415 -11.567 109 HG22 VAL 17 2HG2 VAL 17 11.409 0.622 -11.611 110 HG23 VAL 17 3HG2 VAL 17 12.893 1.129 -12.453 111 HA PRO 18 HA PRO 18 14.839 -1.980 -7.096 112 HB2 PRO 18 1HB PRO 18 13.180 -1.486 -4.981 113 HB3 PRO 18 2HB PRO 18 14.824 -0.885 -5.070 114 HG2 PRO 18 1HG PRO 18 12.289 0.587 -5.455 115 HG3 PRO 18 2HG PRO 18 13.888 1.222 -5.121 116 HD2 PRO 18 1HD PRO 18 12.539 1.216 -7.652 117 HD3 PRO 18 2HD PRO 18 14.180 1.745 -7.341 118 H GLY 19 H GLY 19 13.441 -3.737 -5.888 119 HA2 GLY 19 1HA GLY 19 11.414 -4.439 -7.887 120 HA3 GLY 19 2HA GLY 19 12.199 -5.516 -6.749 121 HA PRO 20 HA PRO 20 8.216 -4.675 -4.865 122 HB2 PRO 20 1HB PRO 20 7.717 -7.225 -4.018 123 HB3 PRO 20 2HB PRO 20 7.177 -6.607 -5.567 124 HG2 PRO 20 1HG PRO 20 9.402 -8.464 -4.986 125 HG3 PRO 20 2HG PRO 20 8.586 -8.171 -6.509 126 HD2 PRO 20 1HD PRO 20 11.169 -7.195 -5.730 127 HD3 PRO 20 2HD PRO 20 10.302 -6.808 -7.204 128 H VAL 21 H VAL 21 7.953 -3.769 -2.921 129 HA VAL 21 HA VAL 21 10.043 -3.808 -1.122 130 HB VAL 21 HB VAL 21 8.328 -2.912 0.470 131 HG11 VAL 21 1HG1 VAL 21 8.405 -1.696 -2.312 132 HG12 VAL 21 2HG1 VAL 21 7.916 -0.849 -0.825 133 HG13 VAL 21 3HG1 VAL 21 9.587 -1.432 -1.009 134 HG21 VAL 21 1HG2 VAL 21 6.535 -4.157 -1.415 135 HG22 VAL 21 2HG2 VAL 21 6.177 -3.413 0.162 136 HG23 VAL 21 3HG2 VAL 21 6.191 -2.414 -1.312 137 H GLY 22 H GLY 22 9.148 -4.418 1.416 138 HA2 GLY 22 1HA GLY 22 9.656 -7.143 1.629 139 HA3 GLY 22 2HA GLY 22 8.968 -6.118 2.872 140 H HIS 23 H HIS 23 7.625 -7.962 3.535 141 HA HIS 23 HA HIS 23 5.607 -8.755 1.610 142 HB2 HIS 23 1HB HIS 23 5.358 -10.656 2.818 143 HB3 HIS 23 2HB HIS 23 6.994 -10.257 3.304 144 HD1 HIS 23 1HD HIS 23 4.067 -11.462 4.786 145 HD2 HIS 23 2HD HIS 23 6.689 -8.350 5.805 146 HE1 HIS 23 1HE HIS 23 3.717 -11.019 7.274 147 H LEU 24 H LEU 24 3.712 -7.672 1.474 148 HA LEU 24 HA LEU 24 3.033 -5.538 3.027 149 HB2 LEU 24 1HB LEU 24 1.657 -7.333 1.134 150 HB3 LEU 24 2HB LEU 24 0.604 -6.452 2.222 151 HG LEU 24 HG LEU 24 1.091 -5.402 -0.045 152 HD11 LEU 24 1HD1 LEU 24 1.857 -3.230 1.677 153 HD12 LEU 24 2HD1 LEU 24 0.287 -3.571 0.910 154 HD13 LEU 24 3HD1 LEU 24 0.670 -4.268 2.502 155 HD21 LEU 24 1HD2 LEU 24 3.630 -5.927 0.275 156 HD22 LEU 24 2HD2 LEU 24 3.121 -4.433 -0.549 157 HD23 LEU 24 3HD2 LEU 24 3.644 -4.378 1.152 158 H SER 25 H SER 25 1.678 -5.172 4.835 159 HA SER 25 HA SER 25 0.776 -7.546 6.214 160 HB2 SER 25 1HB SER 25 2.305 -5.422 7.749 161 HB3 SER 25 2HB SER 25 1.873 -7.038 8.272 162 HG SER 25 HG SER 25 4.078 -7.052 7.718 163 H PHE 26 H PHE 26 -0.885 -7.044 7.881 164 HA PHE 26 HA PHE 26 -1.883 -4.305 7.762 165 HB2 PHE 26 1HB PHE 26 -3.408 -6.930 7.253 166 HB3 PHE 26 2HB PHE 26 -4.205 -5.383 7.464 167 HD1 PHE 26 1HD PHE 26 -2.431 -3.609 5.883 168 HD2 PHE 26 2HD PHE 26 -3.872 -7.512 5.048 169 HE1 PHE 26 1HE PHE 26 -2.216 -3.162 3.422 170 HE2 PHE 26 2HE PHE 26 -3.658 -7.065 2.587 171 HZ PHE 26 HZ PHE 26 -2.832 -4.895 1.804 172 H SER 27 H SER 27 -2.930 -3.614 9.658 173 HA SER 27 HA SER 27 -3.547 -5.586 11.640 174 HB2 SER 27 1HB SER 27 -1.256 -3.630 11.925 175 HB3 SER 27 2HB SER 27 -2.162 -4.106 13.348 176 HG SER 27 HG SER 27 -1.522 -6.322 11.826 177 H GLU 28 H GLU 28 -4.636 -4.493 13.597 178 HA GLU 28 HA GLU 28 -6.333 -3.293 14.264 179 HB2 GLU 28 1HB GLU 28 -4.489 -1.081 13.274 180 HB3 GLU 28 2HB GLU 28 -5.929 -0.762 14.221 181 HG2 GLU 28 1HG GLU 28 -4.531 -2.850 15.585 182 HG3 GLU 28 2HG GLU 28 -3.316 -1.675 15.124 183 H ILE 29 H ILE 29 -7.165 -4.440 12.008 184 HA ILE 29 HA ILE 29 -7.999 -2.438 10.101 185 HB ILE 29 HB ILE 29 -8.636 -5.386 10.207 186 HG12 ILE 29 1HG1 ILE 29 -6.198 -3.917 9.276 187 HG13 ILE 29 2HG1 ILE 29 -6.328 -5.444 10.125 188 HG21 ILE 29 1HG2 ILE 29 -9.499 -5.212 8.109 189 HG22 ILE 29 2HG2 ILE 29 -9.901 -3.586 8.711 190 HG23 ILE 29 3HG2 ILE 29 -8.474 -3.823 7.675 191 HD11 ILE 29 1HD1 ILE 29 -6.476 -4.879 7.205 192 HD12 ILE 29 2HD1 ILE 29 -5.913 -6.338 8.055 193 HD13 ILE 29 3HD1 ILE 29 -7.655 -6.070 7.804 194 H LEU 30 H LEU 30 -10.049 -1.581 9.881 195 HA LEU 30 HA LEU 30 -11.945 -2.398 11.972 196 HB2 LEU 30 1HB LEU 30 -11.471 0.302 10.705 197 HB3 LEU 30 2HB LEU 30 -12.837 -0.072 11.738 198 HG LEU 30 HG LEU 30 -11.189 1.076 13.037 199 HD11 LEU 30 1HD1 LEU 30 -10.762 -1.749 13.946 200 HD12 LEU 30 2HD1 LEU 30 -11.138 -0.287 14.890 201 HD13 LEU 30 3HD1 LEU 30 -12.407 -1.070 13.918 202 HD21 LEU 30 1HD2 LEU 30 -9.311 0.081 11.388 203 HD22 LEU 30 2HD2 LEU 30 -8.950 0.775 12.987 204 HD23 LEU 30 3HD2 LEU 30 -9.074 -0.990 12.790 205 H ASP 31 H ASP 31 -13.453 -0.215 9.967 206 HA ASP 31 HA ASP 31 -14.531 -2.412 8.386 207 HB2 ASP 31 1HB ASP 31 -16.574 -0.942 8.184 208 HB3 ASP 31 2HB ASP 31 -16.225 -1.444 9.826 209 H THR 32 H THR 32 -13.143 0.869 8.454 210 HA THR 32 HA THR 32 -12.802 0.762 5.565 211 HB THR 32 HB THR 32 -13.838 2.936 5.219 212 HG1 THR 32 1HG THR 32 -14.615 4.045 7.202 213 HG21 THR 32 1HG2 THR 32 -16.156 2.652 6.092 214 HG22 THR 32 2HG2 THR 32 -15.546 1.109 5.446 215 HG23 THR 32 3HG2 THR 32 -15.585 1.384 7.204 216 H SER 33 H SER 33 -11.219 0.546 8.198 217 HA SER 33 HA SER 33 -9.157 2.326 7.264 218 HB2 SER 33 1HB SER 33 -8.819 2.705 9.950 219 HB3 SER 33 2HB SER 33 -9.655 3.834 8.903 220 HG SER 33 HG SER 33 -11.435 3.461 10.014 221 H LEU 34 H LEU 34 -7.096 1.403 7.509 222 HA LEU 34 HA LEU 34 -6.661 -0.670 9.428 223 HB2 LEU 34 1HB LEU 34 -6.225 -2.467 7.918 224 HB3 LEU 34 2HB LEU 34 -7.875 -1.914 7.710 225 HG LEU 34 HG LEU 34 -6.938 -0.527 5.724 226 HD11 LEU 34 1HD1 LEU 34 -4.986 -1.838 4.648 227 HD12 LEU 34 2HD1 LEU 34 -4.627 -0.653 5.927 228 HD13 LEU 34 3HD1 LEU 34 -4.649 -2.392 6.305 229 HD21 LEU 34 1HD2 LEU 34 -8.208 -2.940 5.912 230 HD22 LEU 34 2HD2 LEU 34 -7.875 -2.070 4.395 231 HD23 LEU 34 3HD2 LEU 34 -6.775 -3.359 4.942 232 H LYS 35 H LYS 35 -4.404 -1.129 9.685 233 HA LYS 35 HA LYS 35 -2.762 0.984 8.547 234 HB2 LYS 35 1HB LYS 35 -2.929 0.398 11.056 235 HB3 LYS 35 2HB LYS 35 -1.937 -0.995 10.673 236 HG2 LYS 35 1HG LYS 35 -1.072 1.743 9.707 237 HG3 LYS 35 2HG LYS 35 -0.805 1.305 11.383 238 HD2 LYS 35 1HD LYS 35 0.010 -0.731 9.333 239 HD3 LYS 35 2HD LYS 35 0.969 0.735 9.392 240 HE2 LYS 35 1HE LYS 35 1.975 0.110 11.338 241 HE3 LYS 35 2HE LYS 35 0.439 -0.255 12.100 242 HZ1 LYS 35 1HZ LYS 35 0.458 -2.391 11.169 243 HZ2 LYS 35 2HZ LYS 35 1.694 -2.057 10.155 244 HZ3 LYS 35 3HZ LYS 35 1.963 -2.167 11.763 245 H VAL 36 H VAL 36 -1.006 0.636 7.194 246 HA VAL 36 HA VAL 36 -0.722 -2.141 6.275 247 HB VAL 36 HB VAL 36 -0.529 0.490 4.807 248 HG11 VAL 36 1HG1 VAL 36 1.287 -1.286 4.259 249 HG12 VAL 36 2HG1 VAL 36 -0.050 -2.186 3.503 250 HG13 VAL 36 3HG1 VAL 36 0.366 -0.555 2.922 251 HG21 VAL 36 1HG2 VAL 36 -2.172 -1.050 3.327 252 HG22 VAL 36 2HG2 VAL 36 -2.491 -1.744 4.935 253 HG23 VAL 36 3HG2 VAL 36 -2.744 -0.005 4.649 254 H SER 37 H SER 37 1.350 -3.014 6.126 255 HA SER 37 HA SER 37 3.526 -1.209 6.765 256 HB2 SER 37 1HB SER 37 4.180 -3.574 8.136 257 HB3 SER 37 2HB SER 37 3.716 -2.045 8.855 258 HG SER 37 HG SER 37 2.370 -3.800 9.602 259 H TRP 38 H TRP 38 5.632 -1.997 6.009 260 HA TRP 38 HA TRP 38 5.669 -4.493 4.558 261 HB2 TRP 38 1HB TRP 38 6.374 -3.471 2.447 262 HB3 TRP 38 2HB TRP 38 4.713 -3.100 2.864 263 HD1 TRP 38 HD TRP 38 8.141 -1.378 2.511 264 HE1 TRP 38 1HE TRP 38 7.888 1.247 2.412 265 HE3 TRP 38 3HE TRP 38 3.181 -1.286 3.630 266 HZ2 TRP 38 2HZ TRP 38 5.692 3.027 2.803 267 HZ3 TRP 38 3HZ TRP 38 2.059 0.936 3.752 268 HH2 TRP 38 HH TRP 38 3.233 3.044 3.360 269 H GLN 39 H GLN 39 8.068 -4.425 3.367 270 HA GLN 39 HA GLN 39 9.854 -3.203 5.318 271 HB2 GLN 39 1HB GLN 39 9.444 -6.035 4.788 272 HB3 GLN 39 2HB GLN 39 11.091 -5.594 4.385 273 HG2 GLN 39 1HG GLN 39 10.242 -4.338 6.902 274 HG3 GLN 39 2HG GLN 39 10.059 -6.079 6.970 275 HE21 GLN 39 1HE2 GLN 39 12.119 -3.569 7.469 276 HE22 GLN 39 2HE2 GLN 39 13.653 -4.369 7.393 277 H GLU 40 H GLU 40 12.310 -3.666 4.293 278 HA GLU 40 HA GLU 40 12.217 -2.133 1.904 279 HB2 GLU 40 1HB GLU 40 14.139 -2.744 3.982 280 HB3 GLU 40 2HB GLU 40 14.878 -3.058 2.425 281 HG2 GLU 40 1HG GLU 40 14.402 -0.804 1.644 282 HG3 GLU 40 2HG GLU 40 13.365 -0.478 3.018 283 HA PRO 41 HA PRO 41 12.538 -5.484 -0.847 284 HB2 PRO 41 1HB PRO 41 13.272 -4.159 -3.122 285 HB3 PRO 41 2HB PRO 41 11.614 -4.253 -2.560 286 HG2 PRO 41 1HG PRO 41 13.487 -1.969 -2.436 287 HG3 PRO 41 2HG PRO 41 11.742 -1.967 -2.281 288 HD2 PRO 41 1HD PRO 41 13.654 -1.730 -0.156 289 HD3 PRO 41 2HD PRO 41 11.913 -1.845 0.009 290 H GLY 42 H GLY 42 13.941 -6.935 -1.941 291 HA2 GLY 42 1HA GLY 42 16.591 -6.783 -0.863 292 HA3 GLY 42 2HA GLY 42 15.930 -8.016 -1.919 293 H GLU 43 H GLU 43 14.993 -6.037 -3.980 294 HA GLU 43 HA GLU 43 17.544 -5.785 -5.272 295 HB2 GLU 43 1HB GLU 43 14.673 -5.789 -6.110 296 HB3 GLU 43 2HB GLU 43 15.757 -4.833 -7.102 297 HG2 GLU 43 1HG GLU 43 16.129 -7.782 -6.392 298 HG3 GLU 43 2HG GLU 43 15.594 -7.166 -7.943 299 H LYS 44 H LYS 44 17.374 -4.072 -3.053 300 HA LYS 44 HA LYS 44 16.331 -1.620 -3.258 301 HB2 LYS 44 1HB LYS 44 19.098 -2.423 -2.324 302 HB3 LYS 44 2HB LYS 44 18.431 -0.822 -2.082 303 HG2 LYS 44 1HG LYS 44 16.368 -2.064 -1.036 304 HG3 LYS 44 2HG LYS 44 17.424 -3.460 -0.957 305 HD2 LYS 44 1HD LYS 44 18.815 -2.506 0.655 306 HD3 LYS 44 2HD LYS 44 18.527 -0.869 0.098 307 HE2 LYS 44 1HE LYS 44 16.717 -0.584 1.476 308 HE3 LYS 44 2HE LYS 44 16.077 -2.178 1.128 309 HZ1 LYS 44 1HZ LYS 44 16.788 -2.677 3.145 310 HZ2 LYS 44 2HZ LYS 44 18.308 -2.687 2.548 311 HZ3 LYS 44 3HZ LYS 44 17.726 -1.347 3.279 312 H ASN 45 H ASN 45 18.968 -2.976 -5.236 313 HA ASN 45 HA ASN 45 20.167 -2.134 -6.858 314 HB2 ASN 45 1HB ASN 45 17.326 -1.555 -7.417 315 HB3 ASN 45 2HB ASN 45 18.382 -0.449 -8.274 316 HD21 ASN 45 1HD2 ASN 45 16.816 -3.300 -8.474 317 HD22 ASN 45 2HD2 ASN 45 17.773 -4.145 -9.645 318 H GLY 46 H GLY 46 20.035 -0.473 -4.343 319 HA2 GLY 46 1HA GLY 46 21.622 1.542 -4.588 320 HA3 GLY 46 2HA GLY 46 20.248 2.265 -5.401 321 H ILE 47 H ILE 47 19.380 3.754 -4.008 322 HA ILE 47 HA ILE 47 18.692 2.758 -1.337 323 HB ILE 47 HB ILE 47 20.086 5.303 -2.099 324 HG12 ILE 47 1HG1 ILE 47 21.565 3.547 -1.467 325 HG13 ILE 47 2HG1 ILE 47 21.487 4.672 -0.125 326 HG21 ILE 47 1HG2 ILE 47 18.116 4.882 0.100 327 HG22 ILE 47 2HG2 ILE 47 19.592 5.809 0.462 328 HG23 ILE 47 3HG2 ILE 47 18.501 6.345 -0.839 329 HD11 ILE 47 1HD1 ILE 47 19.532 3.083 0.726 330 HD12 ILE 47 2HD1 ILE 47 20.313 1.899 -0.351 331 HD13 ILE 47 3HD1 ILE 47 21.234 2.630 0.987 332 H LEU 48 H LEU 48 16.644 3.330 -0.589 333 HA LEU 48 HA LEU 48 14.895 4.358 -2.656 334 HB2 LEU 48 1HB LEU 48 14.033 3.454 0.069 335 HB3 LEU 48 2HB LEU 48 13.139 3.442 -1.437 336 HG LEU 48 HG LEU 48 13.604 1.198 -1.050 337 HD11 LEU 48 1HD1 LEU 48 15.946 1.990 -2.793 338 HD12 LEU 48 2HD1 LEU 48 15.003 0.481 -2.834 339 HD13 LEU 48 3HD1 LEU 48 14.253 2.013 -3.341 340 HD21 LEU 48 1HD2 LEU 48 15.662 2.123 0.572 341 HD22 LEU 48 2HD2 LEU 48 15.208 0.426 0.285 342 HD23 LEU 48 3HD2 LEU 48 16.492 1.181 -0.690 343 H THR 49 H THR 49 13.716 6.278 -2.538 344 HA THR 49 HA THR 49 14.588 8.084 -0.382 345 HB THR 49 HB THR 49 14.085 9.867 -2.115 346 HG1 THR 49 1HG THR 49 12.878 9.043 -3.775 347 HG21 THR 49 1HG2 THR 49 16.269 7.988 -2.166 348 HG22 THR 49 2HG2 THR 49 15.773 8.276 -3.851 349 HG23 THR 49 3HG2 THR 49 16.246 9.645 -2.816 350 H GLY 50 H GLY 50 12.099 6.064 -1.132 351 HA2 GLY 50 1HA GLY 50 10.329 7.010 0.719 352 HA3 GLY 50 2HA GLY 50 9.871 7.834 -0.759 353 H TYR 51 H TYR 51 7.908 6.291 0.074 354 HA TYR 51 HA TYR 51 8.049 3.971 -1.703 355 HB2 TYR 51 1HB TYR 51 7.116 4.183 1.225 356 HB3 TYR 51 2HB TYR 51 6.717 2.806 0.218 357 HD1 TYR 51 2HD TYR 51 8.603 1.354 -0.682 358 HD2 TYR 51 1HD TYR 51 9.218 4.334 2.326 359 HE1 TYR 51 2HE TYR 51 10.794 0.246 -0.022 360 HE2 TYR 51 1HE TYR 51 11.406 3.215 2.976 361 HH TYR 51 HH TYR 51 12.414 0.191 1.429 362 H ARG 52 H ARG 52 6.323 3.901 -3.061 363 HA ARG 52 HA ARG 52 4.213 5.774 -2.523 364 HB2 ARG 52 1HB ARG 52 5.497 5.135 -4.836 365 HB3 ARG 52 2HB ARG 52 4.172 3.995 -4.954 366 HG2 ARG 52 1HG ARG 52 2.722 6.170 -4.281 367 HG3 ARG 52 2HG ARG 52 4.096 7.008 -4.974 368 HD2 ARG 52 1HD ARG 52 3.187 6.640 -7.024 369 HD3 ARG 52 2HD ARG 52 3.562 4.940 -6.822 370 HE ARG 52 HE ARG 52 1.071 5.735 -5.497 371 HH11 ARG 52 2HH2 ARG 52 2.508 4.644 -8.518 372 HH12 ARG 52 1HH2 ARG 52 1.025 4.000 -9.139 373 HH21 ARG 52 2HH1 ARG 52 -0.886 4.885 -6.316 374 HH22 ARG 52 1HH1 ARG 52 -0.919 4.138 -7.878 375 H ILE 53 H ILE 53 2.213 5.168 -1.722 376 HA ILE 53 HA ILE 53 1.607 2.293 -1.779 377 HB ILE 53 HB ILE 53 2.120 2.985 0.453 378 HG12 ILE 53 1HG1 ILE 53 -0.873 2.675 0.070 379 HG13 ILE 53 2HG1 ILE 53 0.294 1.371 0.142 380 HG21 ILE 53 1HG2 ILE 53 -0.013 5.120 0.180 381 HG22 ILE 53 2HG2 ILE 53 0.976 4.769 1.617 382 HG23 ILE 53 3HG2 ILE 53 1.743 5.410 0.143 383 HD11 ILE 53 1HD1 ILE 53 0.801 2.963 2.445 384 HD12 ILE 53 2HD1 ILE 53 -0.968 2.807 2.330 385 HD13 ILE 53 3HD1 ILE 53 0.051 1.349 2.392 386 H SER 54 H SER 54 -0.568 1.673 -2.229 387 HA SER 54 HA SER 54 -2.412 3.769 -2.860 388 HB2 SER 54 1HB SER 54 -2.643 2.215 -5.165 389 HB3 SER 54 2HB SER 54 -1.933 3.814 -5.072 390 HG SER 54 HG SER 54 -0.644 1.840 -5.979 391 H TRP 55 H TRP 55 -4.274 3.067 -1.886 392 HA TRP 55 HA TRP 55 -4.690 0.169 -1.730 393 HB2 TRP 55 1HB TRP 55 -6.165 0.642 0.131 394 HB3 TRP 55 2HB TRP 55 -4.562 1.291 0.410 395 HD1 TRP 55 HD TRP 55 -8.034 2.644 -0.775 396 HE1 TRP 55 1HE TRP 55 -8.382 5.130 0.039 397 HE3 TRP 55 3HE TRP 55 -3.428 3.159 1.317 398 HZ2 TRP 55 2HZ TRP 55 -6.729 6.991 1.435 399 HZ3 TRP 55 3HZ TRP 55 -2.875 5.342 2.385 400 HH2 TRP 55 HH TRP 55 -4.438 7.220 2.465 401 H GLU 56 H GLU 56 -6.065 -0.634 -3.256 402 HA GLU 56 HA GLU 56 -8.313 1.064 -3.980 403 HB2 GLU 56 1HB GLU 56 -8.025 0.724 -6.299 404 HB3 GLU 56 2HB GLU 56 -6.396 1.024 -5.728 405 HG2 GLU 56 1HG GLU 56 -6.153 -1.544 -5.497 406 HG3 GLU 56 2HG GLU 56 -7.655 -1.671 -6.392 407 H GLU 57 H GLU 57 -10.282 -0.063 -4.405 408 HA GLU 57 HA GLU 57 -10.774 -2.262 -2.960 409 HB2 GLU 57 1HB GLU 57 -12.094 -0.924 -5.272 410 HB3 GLU 57 2HB GLU 57 -12.612 -2.572 -4.981 411 HG2 GLU 57 1HG GLU 57 -12.417 -1.132 -2.448 412 HG3 GLU 57 2HG GLU 57 -13.418 -0.231 -3.570 413 H TYR 58 H TYR 58 -11.629 -4.493 -3.916 414 HA TYR 58 HA TYR 58 -9.508 -5.980 -4.716 415 HB2 TYR 58 1HB TYR 58 -11.642 -6.918 -3.918 416 HB3 TYR 58 2HB TYR 58 -12.538 -6.121 -5.196 417 HD1 TYR 58 2HD TYR 58 -9.613 -8.483 -5.008 418 HD2 TYR 58 1HD TYR 58 -13.383 -7.551 -6.803 419 HE1 TYR 58 2HE TYR 58 -9.462 -10.584 -6.432 420 HE2 TYR 58 1HE TYR 58 -13.220 -9.655 -8.221 421 HH TYR 58 HH TYR 58 -10.826 -12.057 -7.612 422 H ASN 59 H ASN 59 -12.195 -4.939 -6.942 423 HA ASN 59 HA ASN 59 -10.171 -4.892 -9.036 424 HB2 ASN 59 1HB ASN 59 -11.853 -5.799 -10.623 425 HB3 ASN 59 2HB ASN 59 -11.623 -6.913 -9.290 426 HD21 ASN 59 1HD2 ASN 59 -13.843 -7.124 -10.773 427 HD22 ASN 59 2HD2 ASN 59 -15.254 -6.608 -9.912 428 H ARG 60 H ARG 60 -10.476 -2.525 -7.935 429 HA ARG 60 HA ARG 60 -12.055 -1.081 -9.805 430 HB2 ARG 60 1HB ARG 60 -12.644 -0.221 -6.998 431 HB3 ARG 60 2HB ARG 60 -13.686 -0.196 -8.407 432 HG2 ARG 60 1HG ARG 60 -14.048 -2.630 -8.245 433 HG3 ARG 60 2HG ARG 60 -12.889 -2.752 -6.936 434 HD2 ARG 60 1HD ARG 60 -14.569 -2.363 -5.460 435 HD3 ARG 60 2HD ARG 60 -14.735 -0.746 -6.113 436 HE ARG 60 HE ARG 60 -16.071 -2.678 -7.810 437 HH11 ARG 60 2HH2 ARG 60 -16.414 -0.901 -4.793 438 HH12 ARG 60 1HH2 ARG 60 -18.145 -0.949 -4.813 439 HH21 ARG 60 2HH1 ARG 60 -18.355 -2.742 -7.838 440 HH22 ARG 60 1HH1 ARG 60 -19.257 -2.004 -6.556 441 H THR 61 H THR 61 -10.245 0.099 -10.479 442 HA THR 61 HA THR 61 -8.354 1.089 -8.553 443 HB THR 61 HB THR 61 -8.698 1.453 -11.576 444 HG1 THR 61 1HG THR 61 -6.873 -0.097 -9.882 445 HG21 THR 61 1HG2 THR 61 -7.083 3.081 -11.245 446 HG22 THR 61 2HG2 THR 61 -6.709 2.506 -9.602 447 HG23 THR 61 3HG2 THR 61 -6.010 1.680 -11.015 448 H ASN 62 H ASN 62 -11.388 2.152 -9.827 449 HA ASN 62 HA ASN 62 -11.000 4.849 -9.958 450 HB2 ASN 62 1HB ASN 62 -13.160 3.145 -10.191 451 HB3 ASN 62 2HB ASN 62 -13.552 3.934 -8.676 452 HD21 ASN 62 1HD2 ASN 62 -15.370 4.614 -10.113 453 HD22 ASN 62 2HD2 ASN 62 -15.213 6.102 -10.985 454 H THR 63 H THR 63 -11.089 2.636 -7.215 455 HA THR 63 HA THR 63 -11.315 4.888 -5.338 456 HB THR 63 HB THR 63 -12.193 3.301 -3.798 457 HG1 THR 63 1HG THR 63 -11.138 1.284 -5.646 458 HG21 THR 63 1HG2 THR 63 -12.905 2.173 -6.557 459 HG22 THR 63 2HG2 THR 63 -13.759 1.790 -5.044 460 HG23 THR 63 3HG2 THR 63 -13.805 3.445 -5.696 461 H ARG 64 H ARG 64 -8.917 4.284 -7.000 462 HA ARG 64 HA ARG 64 -7.133 3.230 -5.001 463 HB2 ARG 64 1HB ARG 64 -6.742 2.417 -7.254 464 HB3 ARG 64 2HB ARG 64 -6.787 4.036 -7.924 465 HG2 ARG 64 1HG ARG 64 -4.759 4.012 -5.879 466 HG3 ARG 64 2HG ARG 64 -4.515 2.589 -6.871 467 HD2 ARG 64 1HD ARG 64 -3.267 4.524 -7.795 468 HD3 ARG 64 2HD ARG 64 -4.493 3.985 -8.925 469 HE ARG 64 HE ARG 64 -5.309 6.140 -7.065 470 HH11 ARG 64 2HH2 ARG 64 -4.163 5.269 -10.276 471 HH12 ARG 64 1HH2 ARG 64 -4.662 6.762 -10.999 472 HH21 ARG 64 2HH1 ARG 64 -5.967 8.110 -8.018 473 HH22 ARG 64 1HH1 ARG 64 -5.695 8.389 -9.705 474 H VAL 65 H VAL 65 -5.510 4.480 -3.958 475 HA VAL 65 HA VAL 65 -5.642 7.363 -4.520 476 HB VAL 65 HB VAL 65 -6.693 6.672 -2.390 477 HG11 VAL 65 1HG1 VAL 65 -5.657 4.853 -1.480 478 HG12 VAL 65 2HG1 VAL 65 -4.037 5.368 -2.007 479 HG13 VAL 65 3HG1 VAL 65 -4.792 6.124 -0.583 480 HG21 VAL 65 1HG2 VAL 65 -4.309 8.123 -1.420 481 HG22 VAL 65 2HG2 VAL 65 -5.063 8.808 -2.880 482 HG23 VAL 65 3HG2 VAL 65 -6.028 8.588 -1.400 483 H THR 66 H THR 66 -3.606 8.554 -4.153 484 HA THR 66 HA THR 66 -1.255 6.794 -4.374 485 HB THR 66 HB THR 66 -1.799 9.394 -5.901 486 HG1 THR 66 1HG THR 66 -1.919 6.521 -6.471 487 HG21 THR 66 1HG2 THR 66 0.659 8.410 -5.429 488 HG22 THR 66 2HG2 THR 66 0.181 7.247 -6.689 489 HG23 THR 66 3HG2 THR 66 0.211 8.990 -7.051 490 H HIS 67 H HIS 67 -0.260 6.945 -2.448 491 HA HIS 67 HA HIS 67 0.024 9.659 -1.379 492 HB2 HIS 67 1HB HIS 67 -0.495 7.021 -0.097 493 HB3 HIS 67 2HB HIS 67 0.578 8.114 0.755 494 HD1 HIS 67 1HD HIS 67 -0.991 10.785 -0.145 495 HD2 HIS 67 2HD HIS 67 -2.660 7.370 1.629 496 HE1 HIS 67 1HE HIS 67 -3.156 11.544 0.971 497 H TYR 68 H TYR 68 2.122 9.965 -0.085 498 HA TYR 68 HA TYR 68 4.284 8.365 -1.262 499 HB2 TYR 68 1HB TYR 68 3.925 11.409 -0.949 500 HB3 TYR 68 2HB TYR 68 5.472 10.687 -1.344 501 HD1 TYR 68 1HD TYR 68 4.962 8.719 -3.364 502 HD2 TYR 68 2HD TYR 68 3.040 12.498 -2.791 503 HE1 TYR 68 1HE TYR 68 4.361 8.796 -5.833 504 HE2 TYR 68 2HE TYR 68 2.445 12.562 -5.262 505 HH TYR 68 HH TYR 68 3.616 11.408 -7.424 506 H LEU 69 H LEU 69 5.920 7.815 0.149 507 HA LEU 69 HA LEU 69 5.906 9.166 2.747 508 HB2 LEU 69 1HB LEU 69 6.224 6.187 2.477 509 HB3 LEU 69 2HB LEU 69 6.016 7.133 3.937 510 HG LEU 69 HG LEU 69 3.860 6.983 1.828 511 HD11 LEU 69 1HD1 LEU 69 3.806 4.768 2.244 512 HD12 LEU 69 2HD1 LEU 69 4.689 4.919 3.782 513 HD13 LEU 69 3HD1 LEU 69 2.948 5.282 3.716 514 HD21 LEU 69 1HD2 LEU 69 4.008 7.887 4.692 515 HD22 LEU 69 2HD2 LEU 69 3.358 8.732 3.267 516 HD23 LEU 69 3HD2 LEU 69 2.464 7.366 3.977 517 HA PRO 70 HA PRO 70 10.186 9.207 2.206 518 HB2 PRO 70 1HB PRO 70 11.143 9.122 4.764 519 HB3 PRO 70 2HB PRO 70 10.503 10.578 4.029 520 HG2 PRO 70 1HG PRO 70 9.252 8.816 6.047 521 HG3 PRO 70 2HG PRO 70 8.837 10.465 5.620 522 HD2 PRO 70 1HD PRO 70 7.432 8.087 4.847 523 HD3 PRO 70 2HD PRO 70 7.087 9.724 4.327 524 H ASN 71 H ASN 71 12.391 8.157 2.789 525 HA ASN 71 HA ASN 71 11.898 5.388 2.297 526 HB2 ASN 71 1HB ASN 71 14.288 5.259 1.840 527 HB3 ASN 71 2HB ASN 71 13.714 6.758 1.137 528 HD21 ASN 71 1HD2 ASN 71 14.618 8.608 1.696 529 HD22 ASN 71 2HD2 ASN 71 15.746 8.857 2.987 530 H VAL 72 H VAL 72 11.360 6.810 5.006 531 HA VAL 72 HA VAL 72 13.117 5.124 6.654 532 HB VAL 72 HB VAL 72 12.922 6.747 8.395 533 HG11 VAL 72 1HG1 VAL 72 14.713 7.238 6.911 534 HG12 VAL 72 2HG1 VAL 72 13.617 7.943 5.699 535 HG13 VAL 72 3HG1 VAL 72 13.903 8.789 7.239 536 HG21 VAL 72 1HG2 VAL 72 10.559 7.547 7.004 537 HG22 VAL 72 2HG2 VAL 72 11.150 8.082 8.595 538 HG23 VAL 72 3HG2 VAL 72 11.635 8.960 7.124 539 H THR 73 H THR 73 9.884 5.923 5.594 540 HA THR 73 HA THR 73 8.757 4.294 7.767 541 HB THR 73 HB THR 73 7.665 6.458 5.914 542 HG1 THR 73 1HG THR 73 8.637 7.083 7.944 543 HG21 THR 73 1HG2 THR 73 5.968 4.569 6.132 544 HG22 THR 73 2HG2 THR 73 6.088 4.740 7.900 545 HG23 THR 73 3HG2 THR 73 5.454 6.082 6.917 546 H LEU 74 H LEU 74 7.456 2.499 7.351 547 HA LEU 74 HA LEU 74 7.306 1.683 4.551 548 HB2 LEU 74 1HB LEU 74 8.118 -0.314 6.627 549 HB3 LEU 74 2HB LEU 74 8.274 -0.392 4.883 550 HG LEU 74 HG LEU 74 9.824 1.752 6.242 551 HD11 LEU 74 1HD1 LEU 74 10.262 -1.170 6.753 552 HD12 LEU 74 2HD1 LEU 74 11.658 -0.074 6.620 553 HD13 LEU 74 3HD1 LEU 74 10.411 0.218 7.856 554 HD21 LEU 74 1HD2 LEU 74 9.738 0.581 3.704 555 HD22 LEU 74 2HD2 LEU 74 10.928 1.755 4.315 556 HD23 LEU 74 3HD2 LEU 74 11.260 0.010 4.427 557 H GLU 75 H GLU 75 5.604 2.703 7.027 558 HA GLU 75 HA GLU 75 3.481 0.825 6.464 559 HB2 GLU 75 1HB GLU 75 2.887 0.535 8.807 560 HB3 GLU 75 2HB GLU 75 4.559 0.058 8.590 561 HG2 GLU 75 1HG GLU 75 4.413 2.913 9.180 562 HG3 GLU 75 2HG GLU 75 3.537 2.009 10.399 563 H TYR 76 H TYR 76 1.322 1.740 6.821 564 HA TYR 76 HA TYR 76 1.135 4.479 7.667 565 HB2 TYR 76 1HB TYR 76 1.919 4.620 5.272 566 HB3 TYR 76 2HB TYR 76 0.664 3.500 4.783 567 HD1 TYR 76 1HD TYR 76 1.395 6.958 5.790 568 HD2 TYR 76 2HD TYR 76 -1.668 4.224 4.586 569 HE1 TYR 76 1HE TYR 76 -0.179 8.905 5.346 570 HE2 TYR 76 2HE TYR 76 -3.231 6.180 4.146 571 HH TYR 76 HH TYR 76 -3.093 8.896 5.331 572 H ARG 77 H ARG 77 -1.100 5.182 7.901 573 HA ARG 77 HA ARG 77 -2.819 2.879 8.169 574 HB2 ARG 77 1HB ARG 77 -2.390 4.622 10.051 575 HB3 ARG 77 2HB ARG 77 -3.387 5.724 9.120 576 HG2 ARG 77 1HG ARG 77 -4.648 3.072 9.433 577 HG3 ARG 77 2HG ARG 77 -4.306 3.828 10.976 578 HD2 ARG 77 1HD ARG 77 -5.391 5.833 9.174 579 HD3 ARG 77 2HD ARG 77 -6.443 4.432 9.159 580 HE ARG 77 HE ARG 77 -7.007 4.836 11.408 581 HH11 ARG 77 2HH2 ARG 77 -4.226 6.795 10.508 582 HH12 ARG 77 1HH2 ARG 77 -4.259 7.738 11.960 583 HH21 ARG 77 2HH1 ARG 77 -7.052 6.080 13.324 584 HH22 ARG 77 1HH1 ARG 77 -5.878 7.329 13.573 585 H VAL 78 H VAL 78 -4.588 2.551 6.824 586 HA VAL 78 HA VAL 78 -5.101 4.645 4.850 587 HB VAL 78 HB VAL 78 -5.806 1.704 4.924 588 HG11 VAL 78 1HG1 VAL 78 -6.252 2.219 2.405 589 HG12 VAL 78 2HG1 VAL 78 -7.499 2.614 3.612 590 HG13 VAL 78 3HG1 VAL 78 -6.451 3.898 2.963 591 HG21 VAL 78 1HG2 VAL 78 -3.477 1.848 4.580 592 HG22 VAL 78 2HG2 VAL 78 -4.169 1.679 2.949 593 HG23 VAL 78 3HG2 VAL 78 -3.632 3.275 3.527 594 H THR 79 H THR 79 -7.252 5.383 4.426 595 HA THR 79 HA THR 79 -9.385 4.461 6.133 596 HB THR 79 HB THR 79 -9.709 6.721 7.171 597 HG1 THR 79 1HG THR 79 -8.305 8.338 6.487 598 HG21 THR 79 1HG2 THR 79 -6.801 5.863 7.565 599 HG22 THR 79 2HG2 THR 79 -7.852 6.697 8.734 600 HG23 THR 79 3HG2 THR 79 -8.163 4.996 8.314 601 H GLY 80 H GLY 80 -11.476 5.338 5.517 602 HA2 GLY 80 1HA GLY 80 -12.901 6.433 4.079 603 HA3 GLY 80 2HA GLY 80 -11.550 6.923 3.077 604 H LEU 81 H LEU 81 -12.151 3.571 4.235 605 HA LEU 81 HA LEU 81 -12.311 2.759 1.438 606 HB2 LEU 81 1HB LEU 81 -12.107 0.854 3.730 607 HB3 LEU 81 2HB LEU 81 -11.527 0.692 2.085 608 HG LEU 81 HG LEU 81 -10.285 2.806 3.796 609 HD11 LEU 81 1HD1 LEU 81 -8.817 0.354 4.111 610 HD12 LEU 81 2HD1 LEU 81 -9.458 1.459 5.351 611 HD13 LEU 81 3HD1 LEU 81 -10.478 0.145 4.716 612 HD21 LEU 81 1HD2 LEU 81 -8.930 2.909 2.046 613 HD22 LEU 81 2HD2 LEU 81 -8.402 1.240 2.368 614 HD23 LEU 81 3HD2 LEU 81 -9.775 1.544 1.277 615 H THR 82 H THR 82 -13.609 0.170 2.631 616 HA THR 82 HA THR 82 -16.296 1.215 3.114 617 HB THR 82 HB THR 82 -15.499 -0.713 0.869 618 HG1 THR 82 1HG THR 82 -15.194 1.631 0.534 619 HG21 THR 82 1HG2 THR 82 -17.679 -1.450 1.501 620 HG22 THR 82 2HG2 THR 82 -18.177 0.183 2.005 621 HG23 THR 82 3HG2 THR 82 -18.016 -0.204 0.275 622 H ALA 83 H ALA 83 -17.712 -0.249 4.184 623 HA ALA 83 HA ALA 83 -16.295 -1.991 5.938 624 HB1 ALA 83 1HB ALA 83 -19.150 -1.103 5.536 625 HB2 ALA 83 2HB ALA 83 -18.791 -2.478 6.608 626 HB3 ALA 83 3HB ALA 83 -18.085 -0.879 6.945 627 H LEU 84 H LEU 84 -16.295 -4.256 6.013 628 HA LEU 84 HA LEU 84 -16.083 -6.228 4.986 629 HB2 LEU 84 1HB LEU 84 -19.023 -5.721 4.508 630 HB3 LEU 84 2HB LEU 84 -18.235 -7.286 4.489 631 HG LEU 84 HG LEU 84 -18.751 -5.472 6.841 632 HD11 LEU 84 1HD1 LEU 84 -19.289 -8.425 6.683 633 HD12 LEU 84 2HD1 LEU 84 -20.078 -7.178 7.678 634 HD13 LEU 84 3HD1 LEU 84 -20.399 -7.257 5.929 635 HD21 LEU 84 1HD2 LEU 84 -16.717 -7.687 6.622 636 HD22 LEU 84 2HD2 LEU 84 -16.524 -6.041 7.274 637 HD23 LEU 84 3HD2 LEU 84 -17.470 -7.250 8.175 638 H THR 85 H THR 85 -14.821 -4.654 3.332 639 HA THR 85 HA THR 85 -15.782 -5.506 0.700 640 HB THR 85 HB THR 85 -15.225 -2.685 1.679 641 HG1 THR 85 1HG THR 85 -17.065 -4.124 -0.099 642 HG21 THR 85 1HG2 THR 85 -15.194 -3.609 -1.240 643 HG22 THR 85 2HG2 THR 85 -15.047 -1.935 -0.655 644 HG23 THR 85 3HG2 THR 85 -13.740 -3.103 -0.347 645 H THR 86 H THR 86 -14.198 -6.137 -0.725 646 HA THR 86 HA THR 86 -11.631 -6.630 0.483 647 HB THR 86 HB THR 86 -12.773 -7.230 -2.297 648 HG1 THR 86 1HG THR 86 -13.935 -8.519 -0.892 649 HG21 THR 86 1HG2 THR 86 -11.058 -8.971 -2.401 650 HG22 THR 86 2HG2 THR 86 -10.231 -7.432 -2.061 651 HG23 THR 86 3HG2 THR 86 -10.516 -8.598 -0.747 652 H TYR 87 H TYR 87 -9.727 -5.604 0.171 653 HA TYR 87 HA TYR 87 -9.660 -3.569 -1.939 654 HB2 TYR 87 1HB TYR 87 -9.211 -3.428 1.079 655 HB3 TYR 87 2HB TYR 87 -8.270 -2.361 0.056 656 HD1 TYR 87 2HD TYR 87 -9.399 -0.601 -1.298 657 HD2 TYR 87 1HD TYR 87 -11.561 -3.040 1.473 658 HE1 TYR 87 2HE TYR 87 -11.331 1.050 -1.343 659 HE2 TYR 87 1HE TYR 87 -13.487 -1.381 1.419 660 HH TYR 87 HH TYR 87 -14.050 0.651 -0.822 661 H THR 88 H THR 88 -7.445 -2.926 -2.554 662 HA THR 88 HA THR 88 -5.443 -4.931 -1.757 663 HB THR 88 HB THR 88 -6.497 -4.137 -4.470 664 HG1 THR 88 1HG THR 88 -6.876 -6.231 -3.440 665 HG21 THR 88 1HG2 THR 88 -3.991 -3.503 -4.411 666 HG22 THR 88 2HG2 THR 88 -3.668 -5.214 -4.041 667 HG23 THR 88 3HG2 THR 88 -4.436 -4.766 -5.583 668 H ILE 89 H ILE 89 -3.782 -4.010 -0.748 669 HA ILE 89 HA ILE 89 -3.313 -1.178 -1.268 670 HB ILE 89 HB ILE 89 -2.034 -2.842 0.882 671 HG12 ILE 89 1HG1 ILE 89 -4.365 -3.290 1.170 672 HG13 ILE 89 2HG1 ILE 89 -3.885 -2.119 2.382 673 HG21 ILE 89 1HG2 ILE 89 -2.766 -0.098 1.501 674 HG22 ILE 89 2HG2 ILE 89 -1.190 -0.918 1.610 675 HG23 ILE 89 3HG2 ILE 89 -1.715 -0.200 0.068 676 HD11 ILE 89 1HD1 ILE 89 -6.091 -1.744 0.945 677 HD12 ILE 89 2HD1 ILE 89 -5.049 -0.364 1.366 678 HD13 ILE 89 3HD1 ILE 89 -4.945 -1.096 -0.253 679 H GLU 90 H GLU 90 -1.846 -0.659 -2.791 680 HA GLU 90 HA GLU 90 0.194 -2.643 -3.358 681 HB2 GLU 90 1HB GLU 90 -0.457 -0.147 -4.976 682 HB3 GLU 90 2HB GLU 90 0.465 -1.542 -5.500 683 HG2 GLU 90 1HG GLU 90 -1.437 -2.536 -6.222 684 HG3 GLU 90 2HG GLU 90 -2.064 -2.536 -4.586 685 H VAL 91 H VAL 91 2.161 -2.378 -2.405 686 HA VAL 91 HA VAL 91 2.939 0.372 -1.723 687 HB VAL 91 HB VAL 91 3.717 -2.274 -0.482 688 HG11 VAL 91 1HG1 VAL 91 4.385 0.230 0.930 689 HG12 VAL 91 2HG1 VAL 91 5.336 -1.259 0.715 690 HG13 VAL 91 3HG1 VAL 91 5.291 -0.036 -0.578 691 HG21 VAL 91 1HG2 VAL 91 2.557 -1.218 1.539 692 HG22 VAL 91 2HG2 VAL 91 1.859 -0.051 0.390 693 HG23 VAL 91 3HG2 VAL 91 1.512 -1.788 0.216 694 H ALA 92 H ALA 92 4.498 1.238 -2.982 695 HA ALA 92 HA ALA 92 6.379 -0.646 -4.232 696 HB1 ALA 92 1HB ALA 92 5.565 0.087 -6.199 697 HB2 ALA 92 2HB ALA 92 4.574 1.327 -5.396 698 HB3 ALA 92 3HB ALA 92 6.268 1.676 -5.814 699 H ALA 93 H ALA 93 8.563 0.239 -4.595 700 HA ALA 93 HA ALA 93 9.253 2.058 -2.430 701 HB1 ALA 93 1HB ALA 93 10.809 0.149 -4.207 702 HB2 ALA 93 2HB ALA 93 11.603 1.293 -3.099 703 HB3 ALA 93 3HB ALA 93 10.521 0.036 -2.454 704 H MET 94 H MET 94 11.100 3.669 -2.971 705 HA MET 94 HA MET 94 10.803 4.665 -5.679 706 HB2 MET 94 1HB MET 94 10.481 6.319 -3.112 707 HB3 MET 94 2HB MET 94 10.544 7.006 -4.723 708 HG2 MET 94 1HG MET 94 8.492 5.782 -5.371 709 HG3 MET 94 2HG MET 94 8.457 4.960 -3.824 710 HE1 MET 94 1HE MET 94 6.303 8.475 -4.964 711 HE2 MET 94 2HE MET 94 7.993 8.902 -5.324 712 HE3 MET 94 3HE MET 94 7.313 7.373 -5.930 713 H THR 95 H THR 95 12.743 5.322 -6.556 714 HA THR 95 HA THR 95 14.954 5.758 -4.657 715 HB THR 95 HB THR 95 16.224 4.768 -6.838 716 HG1 THR 95 1HG THR 95 14.673 3.892 -8.147 717 HG21 THR 95 1HG2 THR 95 14.988 3.472 -4.444 718 HG22 THR 95 2HG2 THR 95 15.343 2.369 -5.795 719 HG23 THR 95 3HG2 THR 95 16.649 3.337 -5.070 720 H SER 96 H SER 96 16.877 6.518 -6.581 721 HA SER 96 HA SER 96 16.140 9.203 -6.836 722 HB2 SER 96 1HB SER 96 18.398 9.287 -6.818 723 HB3 SER 96 2HB SER 96 18.516 7.572 -7.158 724 HG SER 96 HG SER 96 19.517 8.680 -8.867 725 H LYS 97 H LYS 97 16.484 6.453 -9.160 726 HA LYS 97 HA LYS 97 15.962 7.976 -11.460 727 HB2 LYS 97 1HB LYS 97 15.241 5.498 -12.214 728 HB3 LYS 97 2HB LYS 97 16.907 6.024 -12.086 729 HG2 LYS 97 1HG LYS 97 15.635 4.982 -9.572 730 HG3 LYS 97 2HG LYS 97 15.957 3.806 -10.830 731 HD2 LYS 97 1HD LYS 97 18.242 3.961 -10.588 732 HD3 LYS 97 2HD LYS 97 18.204 5.693 -10.323 733 HE2 LYS 97 1HE LYS 97 17.647 5.446 -8.001 734 HE3 LYS 97 2HE LYS 97 17.165 3.774 -8.204 735 HZ1 LYS 97 1HZ LYS 97 19.908 4.613 -8.763 736 HZ2 LYS 97 2HZ LYS 97 19.436 4.245 -7.244 737 HZ3 LYS 97 3HZ LYS 97 19.353 3.116 -8.421 738 H GLY 98 H GLY 98 13.830 5.858 -9.422 739 HA2 GLY 98 1HA GLY 98 11.633 7.538 -9.447 740 HA3 GLY 98 2HA GLY 98 11.470 6.518 -10.863 741 H GLN 99 H GLN 99 9.569 5.512 -9.897 742 HA GLN 99 HA GLN 99 10.041 4.023 -7.482 743 HB2 GLN 99 1HB GLN 99 7.907 5.255 -7.791 744 HB3 GLN 99 2HB GLN 99 7.546 4.301 -9.216 745 HG2 GLN 99 1HG GLN 99 8.048 2.308 -7.365 746 HG3 GLN 99 2HG GLN 99 7.359 3.551 -6.338 747 HE21 GLN 99 1HE2 GLN 99 6.652 0.927 -8.117 748 HE22 GLN 99 2HE2 GLN 99 4.998 1.218 -8.540 749 H GLY 100 H GLY 100 9.881 1.704 -7.324 750 HA2 GLY 100 1HA GLY 100 10.471 0.353 -9.875 751 HA3 GLY 100 2HA GLY 100 10.946 -0.183 -8.275 752 H GLN 101 H GLN 101 9.979 -2.280 -8.606 753 HA GLN 101 HA GLN 101 7.471 -2.750 -9.507 754 HB2 GLN 101 1HB GLN 101 9.522 -4.260 -8.427 755 HB3 GLN 101 2HB GLN 101 8.275 -4.454 -7.211 756 HG2 GLN 101 1HG GLN 101 7.118 -5.876 -8.546 757 HG3 GLN 101 2HG GLN 101 7.053 -4.686 -9.831 758 HE21 GLN 101 1HE2 GLN 101 7.198 -6.675 -11.124 759 HE22 GLN 101 2HE2 GLN 101 8.758 -7.293 -11.553 760 H VAL 102 H VAL 102 5.755 -3.932 -7.803 761 HA VAL 102 HA VAL 102 5.395 -2.204 -5.496 762 HB VAL 102 HB VAL 102 4.251 -1.394 -7.763 763 HG11 VAL 102 1HG1 VAL 102 2.249 -2.328 -8.324 764 HG12 VAL 102 2HG1 VAL 102 3.020 -3.777 -7.635 765 HG13 VAL 102 3HG1 VAL 102 1.883 -2.823 -6.653 766 HG21 VAL 102 1HG2 VAL 102 3.286 0.114 -6.410 767 HG22 VAL 102 2HG2 VAL 102 2.330 -1.127 -5.565 768 HG23 VAL 102 3HG2 VAL 102 4.009 -0.807 -5.069 769 H SER 103 H SER 103 4.048 -3.159 -3.870 770 HA SER 103 HA SER 103 3.522 -5.975 -4.425 771 HB2 SER 103 1HB SER 103 4.684 -4.561 -2.040 772 HB3 SER 103 2HB SER 103 3.676 -5.961 -1.728 773 HG SER 103 HG SER 103 5.071 -7.142 -3.299 774 H ALA 104 H ALA 104 1.326 -6.082 -4.845 775 HA ALA 104 HA ALA 104 -0.457 -4.390 -3.289 776 HB1 ALA 104 1HB ALA 104 -1.863 -6.078 -5.106 777 HB2 ALA 104 2HB ALA 104 -1.541 -4.333 -5.254 778 HB3 ALA 104 3HB ALA 104 -0.398 -5.511 -5.944 779 H SER 105 H SER 105 -1.569 -5.119 -1.540 780 HA SER 105 HA SER 105 -1.600 -8.016 -1.193 781 HB2 SER 105 1HB SER 105 -1.957 -7.172 1.339 782 HB3 SER 105 2HB SER 105 -0.364 -7.410 0.650 783 HG SER 105 HG SER 105 -0.894 -5.271 1.779 784 H THR 106 H THR 106 -3.619 -8.952 -1.162 785 HA THR 106 HA THR 106 -5.920 -7.207 -1.270 786 HB THR 106 HB THR 106 -6.167 -10.198 -1.212 787 HG1 THR 106 1HG THR 106 -4.783 -8.561 -3.221 788 HG21 THR 106 1HG2 THR 106 -8.023 -9.602 -2.404 789 HG22 THR 106 2HG2 THR 106 -7.500 -7.901 -2.415 790 HG23 THR 106 3HG2 THR 106 -6.951 -9.009 -3.696 791 H ILE 107 H ILE 107 -7.213 -6.639 0.363 792 HA ILE 107 HA ILE 107 -7.465 -8.424 2.621 793 HB ILE 107 HB ILE 107 -5.588 -7.298 3.417 794 HG12 ILE 107 1HG1 ILE 107 -6.574 -5.685 5.177 795 HG13 ILE 107 2HG1 ILE 107 -8.135 -6.082 4.487 796 HG21 ILE 107 1HG2 ILE 107 -5.551 -4.718 3.440 797 HG22 ILE 107 2HG2 ILE 107 -5.182 -5.563 1.917 798 HG23 ILE 107 3HG2 ILE 107 -6.788 -4.836 2.165 799 HD11 ILE 107 1HD1 ILE 107 -7.974 -8.370 5.093 800 HD12 ILE 107 2HD1 ILE 107 -6.206 -8.288 5.281 801 HD13 ILE 107 3HD1 ILE 107 -7.266 -7.519 6.487 802 H SER 108 H SER 108 -9.472 -8.232 3.619 803 HA SER 108 HA SER 108 -11.187 -6.234 2.368 804 HB2 SER 108 1HB SER 108 -11.810 -8.586 1.889 805 HB3 SER 108 2HB SER 108 -11.899 -8.931 3.605 806 HG SER 108 HG SER 108 -13.533 -7.019 3.572 807 H SER 109 H SER 109 -12.045 -4.651 3.682 808 HA SER 109 HA SER 109 -11.216 -4.071 6.102 809 HB2 SER 109 1HB SER 109 -13.445 -2.904 6.472 810 HB3 SER 109 2HB SER 109 -12.666 -2.549 4.943 811 HG SER 109 HG SER 109 -14.751 -3.005 4.356 812 H GLY 110 H GLY 110 -11.815 -4.463 8.322 813 HA2 GLY 110 1HA GLY 110 -12.511 -7.103 8.946 814 HA3 GLY 110 2HA GLY 110 -12.433 -5.750 10.057 815 H VAL 111 H VAL 111 -14.345 -4.397 10.402 816 HA VAL 111 HA VAL 111 -16.772 -4.826 9.119 817 HB VAL 111 HB VAL 111 -16.702 -7.052 10.043 818 HG11 VAL 111 1HG1 VAL 111 -15.162 -6.670 11.907 819 HG12 VAL 111 2HG1 VAL 111 -16.405 -5.721 12.758 820 HG13 VAL 111 3HG1 VAL 111 -16.653 -7.460 12.473 821 HG21 VAL 111 1HG2 VAL 111 -18.674 -5.164 11.349 822 HG22 VAL 111 2HG2 VAL 111 -18.901 -6.186 9.910 823 HG23 VAL 111 3HG2 VAL 111 -18.781 -6.932 11.522 824 HA PRO 112 HA PRO 112 -17.320 -1.229 11.462 825 HB2 PRO 112 1HB PRO 112 -19.920 -0.656 10.846 826 HB3 PRO 112 2HB PRO 112 -18.576 -0.257 9.795 827 HG2 PRO 112 1HG PRO 112 -20.569 -2.423 9.515 828 HG3 PRO 112 2HG PRO 112 -19.505 -1.746 8.298 829 HD2 PRO 112 1HD PRO 112 -19.180 -4.248 9.663 830 HD3 PRO 112 2HD PRO 112 -18.058 -3.517 8.532 831 HA PRO 113 HA PRO 113 -18.905 -2.675 15.162 832 HB2 PRO 113 1HB PRO 113 -18.027 -0.660 16.785 833 HB3 PRO 113 2HB PRO 113 -17.037 -2.037 16.347 834 HG2 PRO 113 1HG PRO 113 -16.890 0.742 15.351 835 HG3 PRO 113 2HG PRO 113 -15.679 -0.522 15.261 836 HD2 PRO 113 1HD PRO 113 -17.376 0.384 13.133 837 HD3 PRO 113 2HD PRO 113 -16.248 -0.956 13.076 838 H SER 114 H SER 114 -20.840 -1.853 13.545 839 HA SER 114 HA SER 114 -22.126 0.334 14.904 840 HB2 SER 114 1HB SER 114 -22.045 -0.052 12.330 841 HB3 SER 114 2HB SER 114 -23.264 -1.282 12.597 842 HG SER 114 HG SER 114 -24.752 0.240 12.806 843 H GLY 115 H GLY 115 -22.851 -0.439 16.917 844 HA2 GLY 115 1HA GLY 115 -24.807 -1.266 17.972 845 HA3 GLY 115 2HA GLY 115 -24.913 -2.541 16.774 846 HA PRO 116 HA PRO 116 -21.707 -3.577 20.148 847 HB2 PRO 116 1HB PRO 116 -22.444 -2.792 22.660 848 HB3 PRO 116 2HB PRO 116 -21.290 -1.909 21.680 849 HG2 PRO 116 1HG PRO 116 -24.105 -1.238 22.283 850 HG3 PRO 116 2HG PRO 116 -22.832 -0.194 21.682 851 HD2 PRO 116 1HD PRO 116 -24.985 -1.326 20.162 852 HD3 PRO 116 2HD PRO 116 -23.649 -0.378 19.540 853 H SER 117 H SER 117 -22.024 -5.709 19.954 854 HA SER 117 HA SER 117 -23.697 -6.861 21.903 855 HB2 SER 117 1HB SER 117 -24.969 -6.182 19.450 856 HB3 SER 117 2HB SER 117 -24.714 -7.914 19.382 857 HG SER 117 HG SER 117 -26.227 -8.209 20.870 858 H SER 118 H SER 118 -23.338 -9.191 22.044 859 HA SER 118 HA SER 118 -20.817 -9.922 21.067 860 HB2 SER 118 1HB SER 118 -21.429 -12.180 22.082 861 HB3 SER 118 2HB SER 118 -21.506 -10.816 23.180 862 HG SER 118 HG SER 118 -23.619 -11.103 23.423 863 H GLY 119 H GLY 119 -20.266 -11.622 19.536 864 HA2 GLY 119 1HA GLY 119 -22.103 -13.157 18.109 865 HA3 GLY 119 2HA GLY 119 -21.882 -11.663 17.220 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.205 -12.877 -0.140 2 HA2 GLY 1 1HA GLY 1 1.454 -10.632 0.619 3 HA3 GLY 1 2HA GLY 1 2.093 -10.966 -0.978 4 H SER 2 H SER 2 -0.477 -11.599 1.318 5 HA SER 2 HA SER 2 -2.366 -12.661 1.196 6 HB2 SER 2 1HB SER 2 -2.734 -11.234 -0.780 7 HB3 SER 2 2HB SER 2 -1.937 -12.405 -1.813 8 HG SER 2 HG SER 2 -4.186 -12.712 -1.998 9 H SER 3 H SER 3 -3.513 -14.776 0.449 10 HA SER 3 HA SER 3 -1.476 -16.750 -0.225 11 HB2 SER 3 1HB SER 3 -2.520 -16.560 2.268 12 HB3 SER 3 2HB SER 3 -3.768 -17.553 1.542 13 HG SER 3 HG SER 3 -2.459 -19.222 1.751 14 H GLY 4 H GLY 4 -2.144 -16.801 -2.442 15 HA2 GLY 4 1HA GLY 4 -4.514 -18.383 -2.926 16 HA3 GLY 4 2HA GLY 4 -4.612 -16.741 -3.531 17 H SER 5 H SER 5 -4.778 -18.114 -5.630 18 HA SER 5 HA SER 5 -2.136 -18.924 -6.510 19 HB2 SER 5 1HB SER 5 -4.290 -20.377 -6.757 20 HB3 SER 5 2HB SER 5 -4.726 -19.284 -8.055 21 HG SER 5 HG SER 5 -3.338 -21.386 -8.436 22 H SER 6 H SER 6 -1.288 -18.134 -8.589 23 HA SER 6 HA SER 6 -2.626 -16.228 -10.089 24 HB2 SER 6 1HB SER 6 -2.334 -14.732 -8.172 25 HB3 SER 6 2HB SER 6 -0.627 -15.115 -8.074 26 HG SER 6 HG SER 6 -0.201 -13.677 -9.605 27 H GLY 7 H GLY 7 -1.311 -15.548 -11.944 28 HA2 GLY 7 1HA GLY 7 1.253 -17.017 -12.127 29 HA3 GLY 7 2HA GLY 7 0.094 -16.906 -13.437 30 HA PRO 8 HA PRO 8 2.160 -12.657 -12.844 31 HB2 PRO 8 1HB PRO 8 4.469 -12.545 -11.387 32 HB3 PRO 8 2HB PRO 8 2.898 -12.134 -10.727 33 HG2 PRO 8 1HG PRO 8 4.517 -14.567 -10.281 34 HG3 PRO 8 2HG PRO 8 3.181 -13.949 -9.331 35 HD2 PRO 8 1HD PRO 8 3.103 -16.142 -11.178 36 HD3 PRO 8 2HD PRO 8 1.744 -15.449 -10.315 37 H GLN 9 H GLN 9 4.351 -11.564 -13.592 38 HA GLN 9 HA GLN 9 4.989 -13.062 -15.890 39 HB2 GLN 9 1HB GLN 9 6.448 -11.160 -16.449 40 HB3 GLN 9 2HB GLN 9 4.890 -10.588 -15.886 41 HG2 GLN 9 1HG GLN 9 6.929 -10.962 -13.739 42 HG3 GLN 9 2HG GLN 9 7.319 -9.716 -14.908 43 HE21 GLN 9 1HE2 GLN 9 6.693 -7.788 -14.349 44 HE22 GLN 9 2HE2 GLN 9 5.275 -7.354 -13.454 45 H LEU 10 H LEU 10 7.539 -13.137 -16.497 46 HA LEU 10 HA LEU 10 9.397 -13.539 -14.482 47 HB2 LEU 10 1HB LEU 10 7.524 -15.665 -14.648 48 HB3 LEU 10 2HB LEU 10 9.038 -16.255 -15.302 49 HG LEU 10 HG LEU 10 9.449 -14.779 -12.821 50 HD11 LEU 10 1HD1 LEU 10 7.200 -16.658 -12.923 51 HD12 LEU 10 2HD1 LEU 10 8.410 -17.052 -11.678 52 HD13 LEU 10 3HD1 LEU 10 7.639 -15.448 -11.693 53 HD21 LEU 10 1HD2 LEU 10 10.666 -16.825 -14.265 54 HD22 LEU 10 2HD2 LEU 10 11.152 -16.200 -12.671 55 HD23 LEU 10 3HD2 LEU 10 10.078 -17.615 -12.783 56 H VAL 11 H VAL 11 11.355 -14.875 -15.418 57 HA VAL 11 HA VAL 11 12.865 -15.093 -17.015 58 HB VAL 11 HB VAL 11 10.424 -15.287 -18.788 59 HG11 VAL 11 1HG1 VAL 11 13.170 -16.309 -19.513 60 HG12 VAL 11 2HG1 VAL 11 11.760 -16.029 -20.563 61 HG13 VAL 11 3HG1 VAL 11 12.668 -14.647 -19.906 62 HG21 VAL 11 1HG2 VAL 11 10.677 -17.666 -18.611 63 HG22 VAL 11 2HG2 VAL 11 12.212 -17.495 -17.726 64 HG23 VAL 11 3HG2 VAL 11 10.683 -16.998 -16.962 65 H ARG 12 H ARG 12 14.241 -13.550 -17.756 66 HA ARG 12 HA ARG 12 14.989 -11.671 -18.513 67 HB2 ARG 12 1HB ARG 12 12.325 -11.626 -20.002 68 HB3 ARG 12 2HB ARG 12 13.530 -10.374 -20.231 69 HG2 ARG 12 1HG ARG 12 15.179 -12.003 -21.017 70 HG3 ARG 12 2HG ARG 12 14.135 -13.344 -20.588 71 HD2 ARG 12 1HD ARG 12 13.763 -13.136 -22.912 72 HD3 ARG 12 2HD ARG 12 12.403 -12.262 -22.236 73 HE ARG 12 HE ARG 12 14.364 -10.309 -22.506 74 HH11 ARG 12 2HH2 ARG 12 12.858 -12.614 -24.697 75 HH12 ARG 12 1HH2 ARG 12 13.056 -11.609 -26.094 76 HH21 ARG 12 2HH1 ARG 12 14.625 -8.983 -24.348 77 HH22 ARG 12 1HH1 ARG 12 14.068 -9.530 -25.894 78 H THR 13 H THR 13 15.271 -10.000 -17.070 79 HA THR 13 HA THR 13 13.404 -7.988 -16.669 80 HB THR 13 HB THR 13 12.008 -9.562 -15.458 81 HG1 THR 13 1HG THR 13 12.335 -7.548 -14.339 82 HG21 THR 13 1HG2 THR 13 14.653 -10.530 -14.429 83 HG22 THR 13 2HG2 THR 13 13.341 -10.447 -13.229 84 HG23 THR 13 3HG2 THR 13 13.145 -11.437 -14.695 85 H HIS 14 H HIS 14 14.387 -6.219 -15.797 86 HA HIS 14 HA HIS 14 16.339 -6.258 -13.879 87 HB2 HIS 14 1HB HIS 14 17.356 -7.125 -16.429 88 HB3 HIS 14 2HB HIS 14 18.081 -5.584 -16.017 89 HD1 HIS 14 1HD HIS 14 18.564 -9.107 -15.517 90 HD2 HIS 14 2HD HIS 14 19.160 -5.685 -13.166 91 HE1 HIS 14 1HE HIS 14 20.193 -9.782 -13.674 92 H GLU 15 H GLU 15 15.618 -4.332 -13.086 93 HA GLU 15 HA GLU 15 15.765 -2.097 -14.941 94 HB2 GLU 15 1HB GLU 15 13.520 -2.620 -12.944 95 HB3 GLU 15 2HB GLU 15 13.717 -1.127 -13.840 96 HG2 GLU 15 1HG GLU 15 12.487 -2.072 -15.498 97 HG3 GLU 15 2HG GLU 15 13.865 -3.100 -15.835 98 H ASP 16 H ASP 16 16.647 -0.190 -14.070 99 HA ASP 16 HA ASP 16 18.405 -0.369 -12.067 100 HB2 ASP 16 1HB ASP 16 18.045 1.555 -13.701 101 HB3 ASP 16 2HB ASP 16 16.742 2.120 -12.674 102 H VAL 17 H VAL 17 15.064 1.091 -11.847 103 HA VAL 17 HA VAL 17 14.962 1.710 -9.227 104 HB VAL 17 HB VAL 17 12.481 0.958 -9.476 105 HG11 VAL 17 1HG1 VAL 17 13.800 3.079 -11.198 106 HG12 VAL 17 2HG1 VAL 17 12.042 2.951 -10.948 107 HG13 VAL 17 3HG1 VAL 17 13.117 3.270 -9.566 108 HG21 VAL 17 1HG2 VAL 17 13.211 0.915 -12.408 109 HG22 VAL 17 2HG2 VAL 17 13.136 -0.577 -11.439 110 HG23 VAL 17 3HG2 VAL 17 11.685 0.437 -11.625 111 HA PRO 18 HA PRO 18 15.016 -1.940 -6.916 112 HB2 PRO 18 1HB PRO 18 13.276 -1.458 -4.864 113 HB3 PRO 18 2HB PRO 18 14.904 -0.810 -4.913 114 HG2 PRO 18 1HG PRO 18 12.341 0.579 -5.406 115 HG3 PRO 18 2HG PRO 18 13.909 1.267 -5.033 116 HD2 PRO 18 1HD PRO 18 12.643 1.175 -7.605 117 HD3 PRO 18 2HD PRO 18 14.257 1.759 -7.252 118 H GLY 19 H GLY 19 13.599 -3.692 -5.689 119 HA2 GLY 19 1HA GLY 19 11.666 -4.496 -7.747 120 HA3 GLY 19 2HA GLY 19 12.449 -5.532 -6.570 121 HA PRO 20 HA PRO 20 8.383 -4.754 -4.827 122 HB2 PRO 20 1HB PRO 20 7.888 -7.312 -4.003 123 HB3 PRO 20 2HB PRO 20 7.390 -6.695 -5.566 124 HG2 PRO 20 1HG PRO 20 9.618 -8.528 -4.922 125 HG3 PRO 20 2HG PRO 20 8.846 -8.239 -6.469 126 HD2 PRO 20 1HD PRO 20 11.391 -7.235 -5.607 127 HD3 PRO 20 2HD PRO 20 10.566 -6.854 -7.105 128 H VAL 21 H VAL 21 8.042 -3.864 -2.886 129 HA VAL 21 HA VAL 21 10.078 -3.887 -1.023 130 HB VAL 21 HB VAL 21 8.282 -3.029 0.520 131 HG11 VAL 21 1HG1 VAL 21 7.964 -0.936 -0.734 132 HG12 VAL 21 2HG1 VAL 21 9.633 -1.537 -0.879 133 HG13 VAL 21 3HG1 VAL 21 8.490 -1.748 -2.227 134 HG21 VAL 21 1HG2 VAL 21 6.140 -3.462 0.084 135 HG22 VAL 21 2HG2 VAL 21 6.261 -2.510 -1.415 136 HG23 VAL 21 3HG2 VAL 21 6.589 -4.260 -1.442 137 H GLY 22 H GLY 22 9.105 -4.510 1.483 138 HA2 GLY 22 1HA GLY 22 9.629 -7.233 1.705 139 HA3 GLY 22 2HA GLY 22 8.893 -6.216 2.929 140 H HIS 23 H HIS 23 7.584 -8.136 3.511 141 HA HIS 23 HA HIS 23 5.650 -8.966 1.537 142 HB2 HIS 23 1HB HIS 23 5.329 -10.810 2.820 143 HB3 HIS 23 2HB HIS 23 6.942 -10.388 3.358 144 HD1 HIS 23 1HD HIS 23 3.826 -11.399 4.712 145 HD2 HIS 23 2HD HIS 23 6.656 -8.503 5.808 146 HE1 HIS 23 1HE HIS 23 3.402 -10.880 7.174 147 H LEU 24 H LEU 24 3.737 -7.946 1.254 148 HA LEU 24 HA LEU 24 2.952 -5.738 2.654 149 HB2 LEU 24 1HB LEU 24 1.835 -7.541 0.675 150 HB3 LEU 24 2HB LEU 24 0.595 -6.933 1.753 151 HG LEU 24 HG LEU 24 1.040 -5.633 -0.395 152 HD11 LEU 24 1HD1 LEU 24 -0.141 -4.071 0.642 153 HD12 LEU 24 2HD1 LEU 24 0.300 -4.795 2.207 154 HD13 LEU 24 3HD1 LEU 24 1.309 -3.506 1.507 155 HD21 LEU 24 1HD2 LEU 24 3.658 -5.721 0.377 156 HD22 LEU 24 2HD2 LEU 24 2.973 -4.572 -0.797 157 HD23 LEU 24 3HD2 LEU 24 3.183 -4.088 0.903 158 H SER 25 H SER 25 1.860 -5.299 4.535 159 HA SER 25 HA SER 25 0.658 -7.560 5.888 160 HB2 SER 25 1HB SER 25 3.113 -7.034 6.662 161 HB3 SER 25 2HB SER 25 2.409 -5.630 7.440 162 HG SER 25 HG SER 25 1.640 -8.389 7.885 163 H PHE 26 H PHE 26 -0.887 -6.855 7.623 164 HA PHE 26 HA PHE 26 -1.549 -4.032 7.586 165 HB2 PHE 26 1HB PHE 26 -3.556 -6.281 6.985 166 HB3 PHE 26 2HB PHE 26 -3.893 -4.562 6.937 167 HD1 PHE 26 1HD PHE 26 -2.317 -7.358 5.179 168 HD2 PHE 26 2HD PHE 26 -3.192 -3.208 5.050 169 HE1 PHE 26 1HE PHE 26 -1.757 -7.316 2.733 170 HE2 PHE 26 2HE PHE 26 -2.632 -3.166 2.604 171 HZ PHE 26 HZ PHE 26 -1.921 -5.220 1.474 172 H SER 27 H SER 27 -2.735 -3.354 9.439 173 HA SER 27 HA SER 27 -3.601 -5.393 11.258 174 HB2 SER 27 1HB SER 27 -2.263 -4.362 13.163 175 HB3 SER 27 2HB SER 27 -1.324 -5.277 12.000 176 HG SER 27 HG SER 27 -0.503 -3.067 12.681 177 H GLU 28 H GLU 28 -4.505 -4.180 13.369 178 HA GLU 28 HA GLU 28 -6.152 -2.917 14.052 179 HB2 GLU 28 1HB GLU 28 -4.146 -0.918 12.990 180 HB3 GLU 28 2HB GLU 28 -5.653 -0.343 13.675 181 HG2 GLU 28 1HG GLU 28 -3.716 -2.222 15.108 182 HG3 GLU 28 2HG GLU 28 -3.777 -0.489 15.357 183 H ILE 29 H ILE 29 -7.045 -4.138 11.821 184 HA ILE 29 HA ILE 29 -7.991 -2.136 9.954 185 HB ILE 29 HB ILE 29 -8.519 -5.105 9.998 186 HG12 ILE 29 1HG1 ILE 29 -6.111 -3.558 9.144 187 HG13 ILE 29 2HG1 ILE 29 -6.226 -5.145 9.878 188 HG21 ILE 29 1HG2 ILE 29 -9.491 -4.883 7.980 189 HG22 ILE 29 2HG2 ILE 29 -9.765 -3.210 8.520 190 HG23 ILE 29 3HG2 ILE 29 -8.384 -3.588 7.464 191 HD11 ILE 29 1HD1 ILE 29 -7.447 -5.782 7.593 192 HD12 ILE 29 2HD1 ILE 29 -6.568 -4.358 6.987 193 HD13 ILE 29 3HD1 ILE 29 -5.670 -5.726 7.688 194 H LEU 30 H LEU 30 -10.042 -1.298 9.885 195 HA LEU 30 HA LEU 30 -11.856 -2.285 11.973 196 HB2 LEU 30 1HB LEU 30 -11.479 0.476 10.816 197 HB3 LEU 30 2HB LEU 30 -12.841 0.026 11.822 198 HG LEU 30 HG LEU 30 -11.264 1.141 13.206 199 HD11 LEU 30 1HD1 LEU 30 -12.361 -1.080 13.981 200 HD12 LEU 30 2HD1 LEU 30 -10.707 -1.731 13.895 201 HD13 LEU 30 3HD1 LEU 30 -11.068 -0.354 14.964 202 HD21 LEU 30 1HD2 LEU 30 -9.099 -0.835 12.490 203 HD22 LEU 30 2HD2 LEU 30 -9.323 0.695 11.608 204 HD23 LEU 30 3HD2 LEU 30 -8.959 0.717 13.351 205 H ASP 31 H ASP 31 -13.465 -0.068 10.063 206 HA ASP 31 HA ASP 31 -14.518 -2.243 8.435 207 HB2 ASP 31 1HB ASP 31 -16.600 -0.749 8.326 208 HB3 ASP 31 2HB ASP 31 -16.255 -1.469 9.885 209 H THR 32 H THR 32 -13.281 1.098 8.616 210 HA THR 32 HA THR 32 -13.022 1.129 5.713 211 HB THR 32 HB THR 32 -14.136 3.283 5.511 212 HG1 THR 32 1HG THR 32 -13.332 4.067 7.609 213 HG21 THR 32 1HG2 THR 32 -15.763 1.579 7.471 214 HG22 THR 32 2HG2 THR 32 -16.411 2.880 6.443 215 HG23 THR 32 3HG2 THR 32 -15.776 1.392 5.701 216 H SER 33 H SER 33 -11.381 0.894 8.347 217 HA SER 33 HA SER 33 -9.372 2.720 7.390 218 HB2 SER 33 1HB SER 33 -9.077 3.009 10.144 219 HB3 SER 33 2HB SER 33 -9.739 4.212 9.054 220 HG SER 33 HG SER 33 -11.067 3.487 11.011 221 H LEU 34 H LEU 34 -7.380 1.701 7.394 222 HA LEU 34 HA LEU 34 -6.873 -0.361 9.359 223 HB2 LEU 34 1HB LEU 34 -6.387 -2.087 7.792 224 HB3 LEU 34 2HB LEU 34 -8.037 -1.547 7.558 225 HG LEU 34 HG LEU 34 -7.109 -0.091 5.645 226 HD11 LEU 34 1HD1 LEU 34 -4.801 -0.086 5.929 227 HD12 LEU 34 2HD1 LEU 34 -4.731 -1.836 6.244 228 HD13 LEU 34 3HD1 LEU 34 -5.046 -1.240 4.597 229 HD21 LEU 34 1HD2 LEU 34 -8.194 -2.622 5.733 230 HD22 LEU 34 2HD2 LEU 34 -7.954 -1.635 4.271 231 HD23 LEU 34 3HD2 LEU 34 -6.738 -2.849 4.735 232 H LYS 35 H LYS 35 -4.509 -1.178 9.049 233 HA LYS 35 HA LYS 35 -2.917 1.121 8.146 234 HB2 LYS 35 1HB LYS 35 -2.759 1.099 10.495 235 HB3 LYS 35 2HB LYS 35 -2.652 -0.648 10.574 236 HG2 LYS 35 1HG LYS 35 -0.511 0.518 8.911 237 HG3 LYS 35 2HG LYS 35 -0.491 1.149 10.546 238 HD2 LYS 35 1HD LYS 35 -0.143 -0.981 11.515 239 HD3 LYS 35 2HD LYS 35 -0.802 -1.834 10.133 240 HE2 LYS 35 1HE LYS 35 1.408 -2.194 9.617 241 HE3 LYS 35 2HE LYS 35 1.311 -0.588 8.922 242 HZ1 LYS 35 1HZ LYS 35 2.672 0.159 10.466 243 HZ2 LYS 35 2HZ LYS 35 1.789 -0.458 11.694 244 HZ3 LYS 35 3HZ LYS 35 2.925 -1.376 10.963 245 H VAL 36 H VAL 36 -1.166 0.733 6.804 246 HA VAL 36 HA VAL 36 -0.888 -2.069 5.965 247 HB VAL 36 HB VAL 36 -0.493 0.515 4.445 248 HG11 VAL 36 1HG1 VAL 36 -0.429 -2.096 3.026 249 HG12 VAL 36 2HG1 VAL 36 0.479 -0.596 2.719 250 HG13 VAL 36 3HG1 VAL 36 0.994 -1.699 4.018 251 HG21 VAL 36 1HG2 VAL 36 -2.860 -0.235 4.867 252 HG22 VAL 36 2HG2 VAL 36 -2.406 -0.123 3.150 253 HG23 VAL 36 3HG2 VAL 36 -2.490 -1.713 3.946 254 H SER 37 H SER 37 1.175 -2.983 5.854 255 HA SER 37 HA SER 37 3.357 -1.220 6.598 256 HB2 SER 37 1HB SER 37 3.318 -2.117 8.688 257 HB3 SER 37 2HB SER 37 2.234 -3.409 8.211 258 HG SER 37 HG SER 37 5.083 -3.361 7.678 259 H TRP 38 H TRP 38 5.535 -2.210 6.076 260 HA TRP 38 HA TRP 38 5.601 -4.587 4.508 261 HB2 TRP 38 1HB TRP 38 6.321 -3.553 2.408 262 HB3 TRP 38 2HB TRP 38 4.646 -3.213 2.798 263 HD1 TRP 38 HD TRP 38 8.069 -1.420 2.620 264 HE1 TRP 38 1HE TRP 38 7.763 1.197 2.469 265 HE3 TRP 38 3HE TRP 38 3.040 -1.439 3.370 266 HZ2 TRP 38 2HZ TRP 38 5.502 2.926 2.676 267 HZ3 TRP 38 3HZ TRP 38 1.859 0.757 3.381 268 HH2 TRP 38 HH TRP 38 3.008 2.889 3.050 269 H GLN 39 H GLN 39 8.008 -4.543 3.395 270 HA GLN 39 HA GLN 39 9.746 -3.272 5.362 271 HB2 GLN 39 1HB GLN 39 9.376 -6.102 4.837 272 HB3 GLN 39 2HB GLN 39 11.017 -5.652 4.418 273 HG2 GLN 39 1HG GLN 39 10.958 -4.359 6.743 274 HG3 GLN 39 2HG GLN 39 9.622 -5.437 7.098 275 HE21 GLN 39 1HE2 GLN 39 10.801 -6.433 8.727 276 HE22 GLN 39 2HE2 GLN 39 12.063 -7.578 8.413 277 H GLU 40 H GLU 40 12.225 -3.683 4.381 278 HA GLU 40 HA GLU 40 12.141 -2.154 1.986 279 HB2 GLU 40 1HB GLU 40 14.036 -2.708 4.107 280 HB3 GLU 40 2HB GLU 40 14.815 -2.995 2.564 281 HG2 GLU 40 1HG GLU 40 14.361 -0.760 1.792 282 HG3 GLU 40 2HG GLU 40 13.186 -0.473 3.060 283 HA PRO 41 HA PRO 41 12.625 -5.502 -0.744 284 HB2 PRO 41 1HB PRO 41 13.396 -4.169 -3.002 285 HB3 PRO 41 2HB PRO 41 11.726 -4.297 -2.488 286 HG2 PRO 41 1HG PRO 41 13.544 -1.973 -2.318 287 HG3 PRO 41 2HG PRO 41 11.795 -2.008 -2.214 288 HD2 PRO 41 1HD PRO 41 13.638 -1.722 -0.035 289 HD3 PRO 41 2HD PRO 41 11.896 -1.874 0.079 290 H GLY 42 H GLY 42 14.082 -6.962 -1.698 291 HA2 GLY 42 1HA GLY 42 16.696 -6.731 -0.575 292 HA3 GLY 42 2HA GLY 42 16.094 -7.988 -1.637 293 H GLU 43 H GLU 43 15.178 -6.019 -3.734 294 HA GLU 43 HA GLU 43 17.758 -5.755 -4.966 295 HB2 GLU 43 1HB GLU 43 14.912 -5.802 -5.867 296 HB3 GLU 43 2HB GLU 43 15.987 -4.805 -6.828 297 HG2 GLU 43 1HG GLU 43 16.351 -7.766 -6.180 298 HG3 GLU 43 2HG GLU 43 15.954 -7.083 -7.744 299 H LYS 44 H LYS 44 17.534 -4.039 -2.757 300 HA LYS 44 HA LYS 44 16.481 -1.592 -2.990 301 HB2 LYS 44 1HB LYS 44 19.222 -2.393 -1.985 302 HB3 LYS 44 2HB LYS 44 18.564 -0.783 -1.779 303 HG2 LYS 44 1HG LYS 44 16.470 -1.977 -0.759 304 HG3 LYS 44 2HG LYS 44 17.489 -3.399 -0.660 305 HD2 LYS 44 1HD LYS 44 18.980 -2.390 0.889 306 HD3 LYS 44 2HD LYS 44 18.495 -0.764 0.451 307 HE2 LYS 44 1HE LYS 44 16.910 -0.752 2.074 308 HE3 LYS 44 2HE LYS 44 16.151 -2.177 1.392 309 HZ1 LYS 44 1HZ LYS 44 16.859 -3.185 3.208 310 HZ2 LYS 44 2HZ LYS 44 18.372 -3.131 2.595 311 HZ3 LYS 44 3HZ LYS 44 17.870 -1.973 3.631 312 H ASN 45 H ASN 45 19.160 -2.941 -4.912 313 HA ASN 45 HA ASN 45 20.391 -2.098 -6.509 314 HB2 ASN 45 1HB ASN 45 17.566 -1.566 -7.131 315 HB3 ASN 45 2HB ASN 45 18.600 -0.401 -7.934 316 HD21 ASN 45 1HD2 ASN 45 17.155 -3.320 -8.218 317 HD22 ASN 45 2HD2 ASN 45 18.160 -4.091 -9.400 318 H GLY 46 H GLY 46 20.214 -0.439 -3.999 319 HA2 GLY 46 1HA GLY 46 21.799 1.575 -4.199 320 HA3 GLY 46 2HA GLY 46 20.454 2.299 -5.057 321 H ILE 47 H ILE 47 19.480 3.766 -3.722 322 HA ILE 47 HA ILE 47 18.733 2.793 -1.060 323 HB ILE 47 HB ILE 47 20.142 5.340 -1.791 324 HG12 ILE 47 1HG1 ILE 47 21.611 3.602 -1.103 325 HG13 ILE 47 2HG1 ILE 47 21.475 4.722 0.239 326 HG21 ILE 47 1HG2 ILE 47 18.265 4.872 0.523 327 HG22 ILE 47 2HG2 ILE 47 19.595 6.051 0.607 328 HG23 ILE 47 3HG2 ILE 47 18.319 6.234 -0.621 329 HD11 ILE 47 1HD1 ILE 47 19.429 3.030 0.869 330 HD12 ILE 47 2HD1 ILE 47 20.507 1.905 0.008 331 HD13 ILE 47 3HD1 ILE 47 21.100 2.792 1.433 332 H LEU 48 H LEU 48 16.652 3.328 -0.403 333 HA LEU 48 HA LEU 48 14.970 4.343 -2.526 334 HB2 LEU 48 1HB LEU 48 14.037 3.455 0.183 335 HB3 LEU 48 2HB LEU 48 13.176 3.442 -1.343 336 HG LEU 48 HG LEU 48 13.628 1.198 -0.952 337 HD11 LEU 48 1HD1 LEU 48 14.342 2.004 -3.221 338 HD12 LEU 48 2HD1 LEU 48 16.019 1.998 -2.625 339 HD13 LEU 48 3HD1 LEU 48 15.092 0.480 -2.689 340 HD21 LEU 48 1HD2 LEU 48 16.508 1.192 -0.500 341 HD22 LEU 48 2HD2 LEU 48 15.624 2.109 0.743 342 HD23 LEU 48 3HD2 LEU 48 15.198 0.412 0.418 343 H THR 49 H THR 49 13.798 6.265 -2.478 344 HA THR 49 HA THR 49 14.608 8.107 -0.329 345 HB THR 49 HB THR 49 14.146 9.860 -2.072 346 HG1 THR 49 1HG THR 49 12.538 8.445 -3.177 347 HG21 THR 49 1HG2 THR 49 16.363 9.463 -2.548 348 HG22 THR 49 2HG2 THR 49 16.158 7.700 -2.408 349 HG23 THR 49 3HG2 THR 49 15.745 8.526 -3.930 350 H GLY 50 H GLY 50 12.152 6.040 -1.043 351 HA2 GLY 50 1HA GLY 50 10.362 6.933 0.782 352 HA3 GLY 50 2HA GLY 50 9.914 7.818 -0.662 353 H TYR 51 H TYR 51 7.903 6.330 -0.028 354 HA TYR 51 HA TYR 51 8.093 4.011 -1.804 355 HB2 TYR 51 1HB TYR 51 6.855 4.221 1.013 356 HB3 TYR 51 2HB TYR 51 6.686 2.814 -0.019 357 HD1 TYR 51 2HD TYR 51 8.800 1.521 -0.669 358 HD2 TYR 51 1HD TYR 51 8.738 4.474 2.426 359 HE1 TYR 51 2HE TYR 51 10.945 0.561 0.300 360 HE2 TYR 51 1HE TYR 51 10.883 3.504 3.385 361 HH TYR 51 HH TYR 51 12.571 0.874 1.726 362 H ARG 52 H ARG 52 6.153 3.503 -2.912 363 HA ARG 52 HA ARG 52 4.170 5.613 -2.654 364 HB2 ARG 52 1HB ARG 52 5.501 5.095 -4.890 365 HB3 ARG 52 2HB ARG 52 4.387 3.752 -5.046 366 HG2 ARG 52 1HG ARG 52 2.478 5.455 -4.715 367 HG3 ARG 52 2HG ARG 52 3.685 6.715 -4.880 368 HD2 ARG 52 1HD ARG 52 3.054 4.569 -6.965 369 HD3 ARG 52 2HD ARG 52 2.584 6.255 -7.058 370 HE ARG 52 HE ARG 52 5.464 5.923 -6.702 371 HH11 ARG 52 2HH2 ARG 52 2.867 5.969 -9.076 372 HH12 ARG 52 1HH2 ARG 52 3.907 6.395 -10.394 373 HH21 ARG 52 2HH1 ARG 52 6.836 6.485 -8.441 374 HH22 ARG 52 1HH1 ARG 52 6.180 6.691 -10.030 375 H ILE 53 H ILE 53 2.140 5.040 -1.908 376 HA ILE 53 HA ILE 53 1.478 2.179 -1.998 377 HB ILE 53 HB ILE 53 2.008 2.887 0.255 378 HG12 ILE 53 1HG1 ILE 53 -0.943 2.389 -0.225 379 HG13 ILE 53 2HG1 ILE 53 0.308 1.178 -0.027 380 HG21 ILE 53 1HG2 ILE 53 -0.272 4.867 0.100 381 HG22 ILE 53 2HG2 ILE 53 0.898 4.629 1.420 382 HG23 ILE 53 3HG2 ILE 53 1.435 5.315 -0.132 383 HD11 ILE 53 1HD1 ILE 53 0.593 2.846 2.235 384 HD12 ILE 53 2HD1 ILE 53 -1.164 2.659 2.018 385 HD13 ILE 53 3HD1 ILE 53 -0.132 1.220 2.196 386 H SER 54 H SER 54 -0.695 1.620 -2.505 387 HA SER 54 HA SER 54 -2.482 3.777 -3.110 388 HB2 SER 54 1HB SER 54 -2.738 2.294 -5.447 389 HB3 SER 54 2HB SER 54 -1.947 3.852 -5.311 390 HG SER 54 HG SER 54 -0.143 2.015 -4.512 391 H TRP 55 H TRP 55 -4.660 3.106 -2.942 392 HA TRP 55 HA TRP 55 -5.088 0.216 -2.670 393 HB2 TRP 55 1HB TRP 55 -6.483 0.546 -0.746 394 HB3 TRP 55 2HB TRP 55 -4.875 1.166 -0.431 395 HD1 TRP 55 HD TRP 55 -8.394 2.578 -1.357 396 HE1 TRP 55 1HE TRP 55 -8.712 5.001 -0.359 397 HE3 TRP 55 3HE TRP 55 -3.676 3.007 0.492 398 HZ2 TRP 55 2HZ TRP 55 -6.994 6.784 1.059 399 HZ3 TRP 55 3HZ TRP 55 -3.078 5.122 1.670 400 HH2 TRP 55 HH TRP 55 -4.649 6.971 1.966 401 H GLU 56 H GLU 56 -6.557 -0.376 -4.204 402 HA GLU 56 HA GLU 56 -8.677 1.532 -4.766 403 HB2 GLU 56 1HB GLU 56 -8.498 1.150 -7.163 404 HB3 GLU 56 2HB GLU 56 -6.936 1.671 -6.564 405 HG2 GLU 56 1HG GLU 56 -6.599 -1.006 -6.275 406 HG3 GLU 56 2HG GLU 56 -7.782 -1.034 -7.567 407 H GLU 57 H GLU 57 -9.513 -0.135 -3.043 408 HA GLU 57 HA GLU 57 -10.527 -2.018 -2.504 409 HB2 GLU 57 1HB GLU 57 -11.946 -0.637 -4.642 410 HB3 GLU 57 2HB GLU 57 -12.318 -2.349 -4.688 411 HG2 GLU 57 1HG GLU 57 -12.730 -2.188 -2.138 412 HG3 GLU 57 2HG GLU 57 -12.656 -0.448 -2.330 413 H TYR 58 H TYR 58 -11.843 -4.030 -4.155 414 HA TYR 58 HA TYR 58 -9.467 -5.521 -4.909 415 HB2 TYR 58 1HB TYR 58 -11.096 -6.656 -3.495 416 HB3 TYR 58 2HB TYR 58 -12.448 -5.991 -4.391 417 HD1 TYR 58 2HD TYR 58 -9.431 -8.103 -5.167 418 HD2 TYR 58 1HD TYR 58 -13.644 -7.526 -5.640 419 HE1 TYR 58 2HE TYR 58 -9.576 -10.236 -6.543 420 HE2 TYR 58 1HE TYR 58 -13.775 -9.661 -7.014 421 HH TYR 58 HH TYR 58 -11.705 -11.965 -6.963 422 H ASN 59 H ASN 59 -12.489 -4.182 -6.326 423 HA ASN 59 HA ASN 59 -11.267 -4.583 -8.915 424 HB2 ASN 59 1HB ASN 59 -13.187 -6.361 -8.111 425 HB3 ASN 59 2HB ASN 59 -14.229 -5.101 -8.743 426 HD21 ASN 59 1HD2 ASN 59 -12.400 -7.794 -9.458 427 HD22 ASN 59 2HD2 ASN 59 -12.305 -7.665 -11.183 428 H ARG 60 H ARG 60 -11.290 -2.168 -7.575 429 HA ARG 60 HA ARG 60 -13.153 -0.682 -9.163 430 HB2 ARG 60 1HB ARG 60 -13.186 -0.713 -6.125 431 HB3 ARG 60 2HB ARG 60 -13.651 0.745 -6.979 432 HG2 ARG 60 1HG ARG 60 -15.429 -0.445 -8.179 433 HG3 ARG 60 2HG ARG 60 -14.890 -1.987 -7.544 434 HD2 ARG 60 1HD ARG 60 -15.882 -1.646 -5.489 435 HD3 ARG 60 2HD ARG 60 -15.473 0.058 -5.454 436 HE ARG 60 HE ARG 60 -17.944 -1.110 -6.462 437 HH11 ARG 60 2HH2 ARG 60 -15.767 1.636 -6.784 438 HH12 ARG 60 1HH2 ARG 60 -16.991 2.697 -7.396 439 HH21 ARG 60 2HH1 ARG 60 -19.559 0.290 -7.270 440 HH22 ARG 60 1HH1 ARG 60 -19.163 1.927 -7.674 441 H THR 61 H THR 61 -11.933 0.930 -10.098 442 HA THR 61 HA THR 61 -9.397 1.623 -8.859 443 HB THR 61 HB THR 61 -10.689 2.355 -11.540 444 HG1 THR 61 1HG THR 61 -8.542 0.522 -10.744 445 HG21 THR 61 1HG2 THR 61 -7.980 2.879 -10.285 446 HG22 THR 61 2HG2 THR 61 -8.066 2.517 -12.026 447 HG23 THR 61 3HG2 THR 61 -8.934 3.924 -11.365 448 H ASN 62 H ASN 62 -12.660 2.858 -9.146 449 HA ASN 62 HA ASN 62 -12.140 5.545 -8.974 450 HB2 ASN 62 1HB ASN 62 -14.407 4.804 -9.379 451 HB3 ASN 62 2HB ASN 62 -14.423 3.804 -7.940 452 HD21 ASN 62 1HD2 ASN 62 -14.917 4.644 -5.993 453 HD22 ASN 62 2HD2 ASN 62 -15.411 6.280 -5.710 454 H THR 63 H THR 63 -11.678 2.937 -6.691 455 HA THR 63 HA THR 63 -11.637 4.762 -4.402 456 HB THR 63 HB THR 63 -11.763 2.736 -3.089 457 HG1 THR 63 1HG THR 63 -11.316 1.344 -5.625 458 HG21 THR 63 1HG2 THR 63 -13.926 3.061 -4.228 459 HG22 THR 63 2HG2 THR 63 -13.292 2.303 -5.709 460 HG23 THR 63 3HG2 THR 63 -13.532 1.325 -4.241 461 H ARG 64 H ARG 64 -9.589 3.968 -6.864 462 HA ARG 64 HA ARG 64 -7.299 3.247 -5.461 463 HB2 ARG 64 1HB ARG 64 -7.803 3.154 -8.023 464 HB3 ARG 64 2HB ARG 64 -7.326 4.840 -8.062 465 HG2 ARG 64 1HG ARG 64 -5.444 2.996 -6.639 466 HG3 ARG 64 2HG ARG 64 -5.573 2.757 -8.370 467 HD2 ARG 64 1HD ARG 64 -4.886 5.020 -8.845 468 HD3 ARG 64 2HD ARG 64 -5.143 5.532 -7.189 469 HE ARG 64 HE ARG 64 -3.009 4.750 -6.660 470 HH11 ARG 64 2HH2 ARG 64 -4.090 3.166 -9.610 471 HH12 ARG 64 1HH2 ARG 64 -2.580 2.365 -9.885 472 HH21 ARG 64 2HH1 ARG 64 -1.016 3.693 -7.022 473 HH22 ARG 64 1HH1 ARG 64 -0.819 2.666 -8.403 474 H VAL 65 H VAL 65 -5.417 4.566 -4.881 475 HA VAL 65 HA VAL 65 -5.754 7.440 -4.996 476 HB VAL 65 HB VAL 65 -6.922 6.635 -2.932 477 HG11 VAL 65 1HG1 VAL 65 -4.226 5.458 -2.450 478 HG12 VAL 65 2HG1 VAL 65 -5.064 6.172 -1.052 479 HG13 VAL 65 3HG1 VAL 65 -5.838 4.867 -1.982 480 HG21 VAL 65 1HG2 VAL 65 -6.431 8.605 -1.976 481 HG22 VAL 65 2HG2 VAL 65 -4.712 8.185 -1.782 482 HG23 VAL 65 3HG2 VAL 65 -5.300 8.837 -3.330 483 H THR 66 H THR 66 -3.717 8.576 -4.488 484 HA THR 66 HA THR 66 -1.395 6.770 -4.662 485 HB THR 66 HB THR 66 -1.800 9.459 -6.074 486 HG1 THR 66 1HG THR 66 -1.781 6.660 -6.964 487 HG21 THR 66 1HG2 THR 66 0.339 9.216 -6.870 488 HG22 THR 66 2HG2 THR 66 0.577 8.063 -5.535 489 HG23 THR 66 3HG2 THR 66 0.110 7.473 -7.148 490 H HIS 67 H HIS 67 -0.132 6.888 -2.927 491 HA HIS 67 HA HIS 67 0.057 9.509 -1.638 492 HB2 HIS 67 1HB HIS 67 -0.491 6.820 -0.416 493 HB3 HIS 67 2HB HIS 67 0.397 8.019 0.503 494 HD1 HIS 67 1HD HIS 67 -1.272 10.540 -0.556 495 HD2 HIS 67 2HD HIS 67 -2.862 6.995 1.025 496 HE1 HIS 67 1HE HIS 67 -3.600 11.125 0.311 497 H TYR 68 H TYR 68 2.121 9.797 -0.391 498 HA TYR 68 HA TYR 68 4.249 8.049 -1.410 499 HB2 TYR 68 1HB TYR 68 4.026 11.119 -1.253 500 HB3 TYR 68 2HB TYR 68 5.537 10.300 -1.593 501 HD1 TYR 68 2HD TYR 68 5.213 8.418 -3.589 502 HD2 TYR 68 1HD TYR 68 2.954 12.017 -3.094 503 HE1 TYR 68 2HE TYR 68 4.644 8.410 -6.067 504 HE2 TYR 68 1HE TYR 68 2.392 11.997 -5.573 505 HH TYR 68 HH TYR 68 2.397 9.615 -7.401 506 H LEU 69 H LEU 69 5.884 7.577 0.053 507 HA LEU 69 HA LEU 69 5.774 9.011 2.606 508 HB2 LEU 69 1HB LEU 69 6.174 6.036 2.453 509 HB3 LEU 69 2HB LEU 69 5.853 7.029 3.861 510 HG LEU 69 HG LEU 69 3.823 6.744 1.647 511 HD11 LEU 69 1HD1 LEU 69 3.989 4.511 2.143 512 HD12 LEU 69 2HD1 LEU 69 4.507 4.803 3.820 513 HD13 LEU 69 3HD1 LEU 69 2.802 5.029 3.364 514 HD21 LEU 69 1HD2 LEU 69 3.171 8.499 3.008 515 HD22 LEU 69 2HD2 LEU 69 2.309 7.117 3.726 516 HD23 LEU 69 3HD2 LEU 69 3.797 7.729 4.486 517 HA PRO 70 HA PRO 70 10.067 9.113 2.196 518 HB2 PRO 70 1HB PRO 70 10.945 9.116 4.784 519 HB3 PRO 70 2HB PRO 70 10.304 10.540 3.989 520 HG2 PRO 70 1HG PRO 70 9.020 8.813 6.016 521 HG3 PRO 70 2HG PRO 70 8.591 10.441 5.530 522 HD2 PRO 70 1HD PRO 70 7.252 8.018 4.782 523 HD3 PRO 70 2HD PRO 70 6.895 9.634 4.205 524 H ASN 71 H ASN 71 12.267 8.116 2.829 525 HA ASN 71 HA ASN 71 11.841 5.331 2.409 526 HB2 ASN 71 1HB ASN 71 14.233 5.234 2.015 527 HB3 ASN 71 2HB ASN 71 13.680 6.737 1.303 528 HD21 ASN 71 1HD2 ASN 71 16.264 5.736 2.528 529 HD22 ASN 71 2HD2 ASN 71 16.755 6.969 3.641 530 H VAL 72 H VAL 72 11.204 6.832 5.069 531 HA VAL 72 HA VAL 72 12.907 5.189 6.814 532 HB VAL 72 HB VAL 72 12.646 6.855 8.508 533 HG11 VAL 72 1HG1 VAL 72 14.494 7.311 7.089 534 HG12 VAL 72 2HG1 VAL 72 13.448 7.971 5.809 535 HG13 VAL 72 3HG1 VAL 72 13.667 8.868 7.331 536 HG21 VAL 72 1HG2 VAL 72 11.425 9.049 7.178 537 HG22 VAL 72 2HG2 VAL 72 10.354 7.643 6.968 538 HG23 VAL 72 3HG2 VAL 72 10.839 8.157 8.602 539 H THR 73 H THR 73 9.740 5.846 5.559 540 HA THR 73 HA THR 73 8.537 4.298 7.755 541 HB THR 73 HB THR 73 7.451 6.381 5.800 542 HG1 THR 73 1HG THR 73 8.579 6.912 7.890 543 HG21 THR 73 1HG2 THR 73 5.701 4.639 6.067 544 HG22 THR 73 2HG2 THR 73 5.963 4.631 7.828 545 HG23 THR 73 3HG2 THR 73 5.278 6.071 7.036 546 H LEU 74 H LEU 74 7.361 2.443 7.351 547 HA LEU 74 HA LEU 74 7.316 1.581 4.551 548 HB2 LEU 74 1HB LEU 74 8.001 -0.315 6.776 549 HB3 LEU 74 2HB LEU 74 8.181 -0.532 5.046 550 HG LEU 74 HG LEU 74 9.760 1.637 6.377 551 HD11 LEU 74 1HD1 LEU 74 11.577 -0.035 6.835 552 HD12 LEU 74 2HD1 LEU 74 10.163 -0.143 7.911 553 HD13 LEU 74 3HD1 LEU 74 10.369 -1.320 6.592 554 HD21 LEU 74 1HD2 LEU 74 11.199 0.010 4.501 555 HD22 LEU 74 2HD2 LEU 74 9.629 0.474 3.803 556 HD23 LEU 74 3HD2 LEU 74 10.745 1.728 4.394 557 H GLU 75 H GLU 75 5.513 2.615 7.020 558 HA GLU 75 HA GLU 75 3.387 0.777 6.311 559 HB2 GLU 75 1HB GLU 75 2.663 0.502 8.606 560 HB3 GLU 75 2HB GLU 75 4.358 0.064 8.523 561 HG2 GLU 75 1HG GLU 75 4.047 2.933 9.049 562 HG3 GLU 75 2HG GLU 75 3.180 1.984 10.240 563 H TYR 76 H TYR 76 1.188 1.714 6.719 564 HA TYR 76 HA TYR 76 1.041 4.497 7.391 565 HB2 TYR 76 1HB TYR 76 1.810 4.549 5.006 566 HB3 TYR 76 2HB TYR 76 0.606 3.356 4.563 567 HD1 TYR 76 1HD TYR 76 1.190 6.891 5.379 568 HD2 TYR 76 2HD TYR 76 -1.748 3.977 4.293 569 HE1 TYR 76 1HE TYR 76 -0.448 8.747 4.800 570 HE2 TYR 76 2HE TYR 76 -3.376 5.843 3.717 571 HH TYR 76 HH TYR 76 -3.187 8.235 2.997 572 H ARG 77 H ARG 77 -1.131 5.189 7.765 573 HA ARG 77 HA ARG 77 -2.917 2.932 7.995 574 HB2 ARG 77 1HB ARG 77 -2.372 4.571 9.938 575 HB3 ARG 77 2HB ARG 77 -3.356 5.747 9.089 576 HG2 ARG 77 1HG ARG 77 -4.749 3.176 9.267 577 HG3 ARG 77 2HG ARG 77 -4.260 3.722 10.858 578 HD2 ARG 77 1HD ARG 77 -5.277 6.024 9.473 579 HD3 ARG 77 2HD ARG 77 -6.413 4.721 9.187 580 HE ARG 77 HE ARG 77 -6.038 4.447 11.858 581 HH11 ARG 77 2HH2 ARG 77 -6.581 7.338 9.927 582 HH12 ARG 77 1HH2 ARG 77 -7.365 8.201 11.208 583 HH21 ARG 77 2HH1 ARG 77 -7.072 5.586 13.548 584 HH22 ARG 77 1HH1 ARG 77 -7.646 7.198 13.281 585 H VAL 78 H VAL 78 -4.686 2.705 6.640 586 HA VAL 78 HA VAL 78 -5.231 4.944 4.838 587 HB VAL 78 HB VAL 78 -6.063 2.046 4.633 588 HG11 VAL 78 1HG1 VAL 78 -7.506 3.374 3.294 589 HG12 VAL 78 2HG1 VAL 78 -6.161 4.386 2.713 590 HG13 VAL 78 3HG1 VAL 78 -6.295 2.692 2.182 591 HG21 VAL 78 1HG2 VAL 78 -3.732 1.917 4.510 592 HG22 VAL 78 2HG2 VAL 78 -4.224 2.060 2.806 593 HG23 VAL 78 3HG2 VAL 78 -3.589 3.480 3.672 594 H THR 79 H THR 79 -7.474 5.542 4.393 595 HA THR 79 HA THR 79 -9.483 4.540 6.217 596 HB THR 79 HB THR 79 -9.914 6.826 7.154 597 HG1 THR 79 1HG THR 79 -8.915 7.928 5.287 598 HG21 THR 79 1HG2 THR 79 -7.974 7.024 8.613 599 HG22 THR 79 2HG2 THR 79 -8.218 5.284 8.325 600 HG23 THR 79 3HG2 THR 79 -6.942 6.161 7.447 601 H GLY 80 H GLY 80 -11.658 5.339 5.685 602 HA2 GLY 80 1HA GLY 80 -13.220 6.193 4.252 603 HA3 GLY 80 2HA GLY 80 -11.955 6.772 3.187 604 H LEU 81 H LEU 81 -12.151 3.412 4.435 605 HA LEU 81 HA LEU 81 -12.330 2.508 1.675 606 HB2 LEU 81 1HB LEU 81 -11.886 0.804 4.113 607 HB3 LEU 81 2HB LEU 81 -11.502 0.443 2.442 608 HG LEU 81 HG LEU 81 -10.149 2.727 3.868 609 HD11 LEU 81 1HD1 LEU 81 -10.041 0.135 4.836 610 HD12 LEU 81 2HD1 LEU 81 -8.588 0.262 3.815 611 HD13 LEU 81 3HD1 LEU 81 -8.855 1.428 5.134 612 HD21 LEU 81 1HD2 LEU 81 -9.096 2.954 1.932 613 HD22 LEU 81 2HD2 LEU 81 -8.459 1.298 2.078 614 HD23 LEU 81 3HD2 LEU 81 -10.012 1.586 1.256 615 H THR 82 H THR 82 -13.455 -0.123 2.506 616 HA THR 82 HA THR 82 -16.196 0.713 3.170 617 HB THR 82 HB THR 82 -15.434 -1.317 1.014 618 HG1 THR 82 1HG THR 82 -15.229 0.486 -0.267 619 HG21 THR 82 1HG2 THR 82 -17.953 0.365 1.151 620 HG22 THR 82 2HG2 THR 82 -17.704 -1.212 0.366 621 HG23 THR 82 3HG2 THR 82 -17.847 -1.113 2.137 622 H ALA 83 H ALA 83 -17.341 -0.614 4.523 623 HA ALA 83 HA ALA 83 -15.826 -2.361 6.124 624 HB1 ALA 83 1HB ALA 83 -17.855 -2.643 7.339 625 HB2 ALA 83 2HB ALA 83 -17.906 -0.977 6.714 626 HB3 ALA 83 3HB ALA 83 -18.852 -2.255 5.916 627 H LEU 84 H LEU 84 -15.792 -4.639 6.252 628 HA LEU 84 HA LEU 84 -15.531 -6.610 5.226 629 HB2 LEU 84 1HB LEU 84 -18.498 -6.220 4.807 630 HB3 LEU 84 2HB LEU 84 -17.647 -7.752 4.827 631 HG LEU 84 HG LEU 84 -18.213 -5.884 7.123 632 HD11 LEU 84 1HD1 LEU 84 -18.901 -8.726 6.417 633 HD12 LEU 84 2HD1 LEU 84 -18.927 -8.171 8.108 634 HD13 LEU 84 3HD1 LEU 84 -19.969 -7.385 6.898 635 HD21 LEU 84 1HD2 LEU 84 -15.972 -6.305 7.580 636 HD22 LEU 84 2HD2 LEU 84 -16.820 -7.584 8.482 637 HD23 LEU 84 3HD2 LEU 84 -16.042 -7.959 6.926 638 H THR 85 H THR 85 -14.366 -5.021 3.522 639 HA THR 85 HA THR 85 -15.325 -5.971 0.933 640 HB THR 85 HB THR 85 -15.001 -3.080 1.822 641 HG1 THR 85 1HG THR 85 -17.007 -3.148 0.412 642 HG21 THR 85 1HG2 THR 85 -13.586 -3.306 -0.226 643 HG22 THR 85 2HG2 THR 85 -14.914 -4.164 -1.044 644 HG23 THR 85 3HG2 THR 85 -15.102 -2.451 -0.598 645 H THR 86 H THR 86 -13.723 -6.588 -0.445 646 HA THR 86 HA THR 86 -11.085 -6.715 0.697 647 HB THR 86 HB THR 86 -12.066 -7.580 -2.068 648 HG1 THR 86 1HG THR 86 -12.107 -8.808 0.600 649 HG21 THR 86 1HG2 THR 86 -9.563 -7.842 -0.677 650 HG22 THR 86 2HG2 THR 86 -10.356 -9.435 -0.633 651 HG23 THR 86 3HG2 THR 86 -10.046 -8.637 -2.194 652 H TYR 87 H TYR 87 -9.243 -5.636 0.118 653 HA TYR 87 HA TYR 87 -9.538 -3.650 -2.020 654 HB2 TYR 87 1HB TYR 87 -8.787 -3.435 0.926 655 HB3 TYR 87 2HB TYR 87 -7.967 -2.363 -0.192 656 HD1 TYR 87 2HD TYR 87 -11.271 -3.282 1.210 657 HD2 TYR 87 1HD TYR 87 -9.085 -0.465 -1.155 658 HE1 TYR 87 2HE TYR 87 -13.233 -1.669 1.305 659 HE2 TYR 87 1HE TYR 87 -11.055 1.139 -1.052 660 HH TYR 87 HH TYR 87 -13.026 1.516 -0.263 661 H THR 88 H THR 88 -7.592 -3.121 -3.131 662 HA THR 88 HA THR 88 -5.414 -5.027 -2.590 663 HB THR 88 HB THR 88 -6.615 -3.796 -5.095 664 HG1 THR 88 1HG THR 88 -6.344 -6.164 -5.584 665 HG21 THR 88 1HG2 THR 88 -3.765 -4.689 -4.623 666 HG22 THR 88 2HG2 THR 88 -4.564 -5.198 -6.130 667 HG23 THR 88 3HG2 THR 88 -4.385 -3.466 -5.758 668 H ILE 89 H ILE 89 -3.988 -4.052 -1.252 669 HA ILE 89 HA ILE 89 -3.360 -1.256 -1.773 670 HB ILE 89 HB ILE 89 -2.340 -2.980 0.473 671 HG12 ILE 89 1HG1 ILE 89 -4.785 -3.155 0.448 672 HG13 ILE 89 2HG1 ILE 89 -4.211 -2.251 1.835 673 HG21 ILE 89 1HG2 ILE 89 -1.714 -1.026 1.517 674 HG22 ILE 89 2HG2 ILE 89 -1.402 -0.628 -0.190 675 HG23 ILE 89 3HG2 ILE 89 -2.878 -0.033 0.608 676 HD11 ILE 89 1HD1 ILE 89 -6.230 -1.295 0.474 677 HD12 ILE 89 2HD1 ILE 89 -4.934 -0.173 0.956 678 HD13 ILE 89 3HD1 ILE 89 -4.998 -0.798 -0.710 679 H GLU 90 H GLU 90 -1.744 -0.768 -3.147 680 HA GLU 90 HA GLU 90 0.272 -2.825 -3.544 681 HB2 GLU 90 1HB GLU 90 -0.409 -0.403 -5.270 682 HB3 GLU 90 2HB GLU 90 0.776 -1.630 -5.668 683 HG2 GLU 90 1HG GLU 90 -0.818 -3.149 -6.312 684 HG3 GLU 90 2HG GLU 90 -1.880 -2.754 -4.976 685 H VAL 91 H VAL 91 2.262 -2.542 -2.636 686 HA VAL 91 HA VAL 91 2.971 0.202 -1.863 687 HB VAL 91 HB VAL 91 3.711 -2.470 -0.658 688 HG11 VAL 91 1HG1 VAL 91 5.318 -1.510 0.622 689 HG12 VAL 91 2HG1 VAL 91 5.395 -0.349 -0.725 690 HG13 VAL 91 3HG1 VAL 91 4.455 0.043 0.735 691 HG21 VAL 91 1HG2 VAL 91 1.469 -1.811 -0.054 692 HG22 VAL 91 2HG2 VAL 91 2.536 -1.547 1.347 693 HG23 VAL 91 3HG2 VAL 91 2.013 -0.166 0.353 694 H ALA 92 H ALA 92 4.525 1.120 -3.089 695 HA ALA 92 HA ALA 92 6.453 -0.706 -4.355 696 HB1 ALA 92 1HB ALA 92 6.433 1.617 -5.874 697 HB2 ALA 92 2HB ALA 92 5.585 0.105 -6.278 698 HB3 ALA 92 3HB ALA 92 4.720 1.413 -5.436 699 H ALA 93 H ALA 93 8.611 0.379 -4.806 700 HA ALA 93 HA ALA 93 9.253 2.090 -2.513 701 HB1 ALA 93 1HB ALA 93 10.846 0.121 -4.185 702 HB2 ALA 93 2HB ALA 93 11.621 1.276 -3.074 703 HB3 ALA 93 3HB ALA 93 10.489 0.055 -2.442 704 H MET 94 H MET 94 11.165 3.652 -2.992 705 HA MET 94 HA MET 94 11.034 4.609 -5.722 706 HB2 MET 94 1HB MET 94 10.381 6.195 -3.187 707 HB3 MET 94 2HB MET 94 10.853 7.001 -4.669 708 HG2 MET 94 1HG MET 94 8.951 5.680 -5.832 709 HG3 MET 94 2HG MET 94 8.408 5.233 -4.226 710 HE1 MET 94 1HE MET 94 7.739 8.678 -2.556 711 HE2 MET 94 2HE MET 94 7.136 7.003 -2.538 712 HE3 MET 94 3HE MET 94 8.880 7.323 -2.383 713 H THR 95 H THR 95 13.018 5.314 -6.478 714 HA THR 95 HA THR 95 15.116 5.687 -4.442 715 HB THR 95 HB THR 95 16.509 4.790 -6.583 716 HG1 THR 95 1HG THR 95 15.054 3.954 -8.022 717 HG21 THR 95 1HG2 THR 95 16.839 3.201 -4.956 718 HG22 THR 95 2HG2 THR 95 15.208 3.444 -4.287 719 HG23 THR 95 3HG2 THR 95 15.446 2.360 -5.678 720 H SER 96 H SER 96 17.149 6.554 -6.161 721 HA SER 96 HA SER 96 16.230 9.224 -6.525 722 HB2 SER 96 1HB SER 96 18.949 7.941 -7.046 723 HB3 SER 96 2HB SER 96 18.632 9.663 -7.122 724 HG SER 96 HG SER 96 17.779 8.429 -4.737 725 H LYS 97 H LYS 97 15.712 6.578 -8.345 726 HA LYS 97 HA LYS 97 16.219 7.985 -10.875 727 HB2 LYS 97 1HB LYS 97 17.136 6.130 -11.688 728 HB3 LYS 97 2HB LYS 97 17.088 5.448 -10.074 729 HG2 LYS 97 1HG LYS 97 15.919 3.860 -11.404 730 HG3 LYS 97 2HG LYS 97 14.646 4.753 -10.596 731 HD2 LYS 97 1HD LYS 97 15.143 6.248 -12.937 732 HD3 LYS 97 2HD LYS 97 15.266 4.582 -13.467 733 HE2 LYS 97 1HE LYS 97 12.987 4.835 -11.680 734 HE3 LYS 97 2HE LYS 97 12.883 6.076 -12.913 735 HZ1 LYS 97 1HZ LYS 97 13.372 3.241 -13.505 736 HZ2 LYS 97 2HZ LYS 97 11.898 3.941 -13.551 737 HZ3 LYS 97 3HZ LYS 97 13.064 4.426 -14.586 738 H GLY 98 H GLY 98 13.932 6.067 -8.877 739 HA2 GLY 98 1HA GLY 98 11.663 7.413 -9.484 740 HA3 GLY 98 2HA GLY 98 11.809 6.286 -10.817 741 H GLN 99 H GLN 99 9.863 5.181 -10.089 742 HA GLN 99 HA GLN 99 10.178 3.799 -7.558 743 HB2 GLN 99 1HB GLN 99 8.067 5.060 -7.951 744 HB3 GLN 99 2HB GLN 99 7.738 4.082 -9.368 745 HG2 GLN 99 1HG GLN 99 8.267 2.230 -7.265 746 HG3 GLN 99 2HG GLN 99 7.244 3.465 -6.558 747 HE21 GLN 99 1HE2 GLN 99 5.149 3.330 -6.840 748 HE22 GLN 99 2HE2 GLN 99 4.313 2.384 -8.026 749 H GLY 100 H GLY 100 10.038 1.489 -7.404 750 HA2 GLY 100 1HA GLY 100 10.638 0.128 -9.950 751 HA3 GLY 100 2HA GLY 100 11.126 -0.394 -8.350 752 H GLN 101 H GLN 101 10.171 -2.499 -8.656 753 HA GLN 101 HA GLN 101 7.663 -2.995 -9.541 754 HB2 GLN 101 1HB GLN 101 9.742 -4.457 -8.363 755 HB3 GLN 101 2HB GLN 101 8.402 -4.710 -7.262 756 HG2 GLN 101 1HG GLN 101 7.327 -6.068 -8.736 757 HG3 GLN 101 2HG GLN 101 7.486 -4.902 -10.035 758 HE21 GLN 101 1HE2 GLN 101 8.556 -7.825 -8.702 759 HE22 GLN 101 2HE2 GLN 101 9.861 -8.182 -9.783 760 H VAL 102 H VAL 102 5.966 -4.178 -7.815 761 HA VAL 102 HA VAL 102 5.611 -2.460 -5.506 762 HB VAL 102 HB VAL 102 4.514 -1.512 -7.686 763 HG11 VAL 102 1HG1 VAL 102 2.087 -3.028 -6.926 764 HG12 VAL 102 2HG1 VAL 102 2.656 -2.492 -8.525 765 HG13 VAL 102 3HG1 VAL 102 3.333 -3.964 -7.787 766 HG21 VAL 102 1HG2 VAL 102 2.681 -1.714 -5.300 767 HG22 VAL 102 2HG2 VAL 102 4.234 -0.850 -5.192 768 HG23 VAL 102 3HG2 VAL 102 3.001 -0.322 -6.363 769 H SER 103 H SER 103 4.022 -3.359 -3.982 770 HA SER 103 HA SER 103 3.591 -6.193 -4.525 771 HB2 SER 103 1HB SER 103 4.551 -4.749 -2.060 772 HB3 SER 103 2HB SER 103 3.587 -6.196 -1.842 773 HG SER 103 HG SER 103 5.138 -7.448 -2.831 774 H ALA 104 H ALA 104 1.427 -6.275 -5.116 775 HA ALA 104 HA ALA 104 -0.454 -4.641 -3.597 776 HB1 ALA 104 1HB ALA 104 -1.755 -4.677 -5.475 777 HB2 ALA 104 2HB ALA 104 -0.213 -5.076 -6.268 778 HB3 ALA 104 3HB ALA 104 -1.358 -6.371 -5.847 779 H SER 105 H SER 105 -1.423 -5.515 -1.842 780 HA SER 105 HA SER 105 -1.806 -8.407 -1.907 781 HB2 SER 105 1HB SER 105 -0.647 -6.627 0.168 782 HB3 SER 105 2HB SER 105 -1.838 -7.754 0.786 783 HG SER 105 HG SER 105 -0.520 -9.396 -0.589 784 H THR 106 H THR 106 -3.914 -9.108 -1.614 785 HA THR 106 HA THR 106 -5.959 -7.100 -1.426 786 HB THR 106 HB THR 106 -6.576 -10.034 -1.267 787 HG1 THR 106 1HG THR 106 -5.228 -8.600 -3.447 788 HG21 THR 106 1HG2 THR 106 -8.316 -9.468 -2.710 789 HG22 THR 106 2HG2 THR 106 -8.055 -7.860 -1.993 790 HG23 THR 106 3HG2 THR 106 -7.336 -8.258 -3.572 791 H ILE 107 H ILE 107 -7.014 -6.378 0.319 792 HA ILE 107 HA ILE 107 -6.936 -8.058 2.709 793 HB ILE 107 HB ILE 107 -5.113 -6.530 2.984 794 HG12 ILE 107 1HG1 ILE 107 -6.058 -5.166 4.977 795 HG13 ILE 107 2HG1 ILE 107 -7.576 -5.970 4.631 796 HG21 ILE 107 1HG2 ILE 107 -5.952 -3.981 3.171 797 HG22 ILE 107 2HG2 ILE 107 -5.269 -4.687 1.687 798 HG23 ILE 107 3HG2 ILE 107 -7.034 -4.557 1.881 799 HD11 ILE 107 1HD1 ILE 107 -6.635 -8.153 5.010 800 HD12 ILE 107 2HD1 ILE 107 -4.974 -7.513 4.989 801 HD13 ILE 107 3HD1 ILE 107 -6.060 -7.128 6.346 802 H SER 108 H SER 108 -8.883 -8.180 3.753 803 HA SER 108 HA SER 108 -10.961 -6.491 2.617 804 HB2 SER 108 1HB SER 108 -11.249 -8.961 2.394 805 HB3 SER 108 2HB SER 108 -11.190 -9.127 4.137 806 HG SER 108 HG SER 108 -13.086 -7.592 4.160 807 H SER 109 H SER 109 -11.678 -4.818 3.881 808 HA SER 109 HA SER 109 -10.748 -4.066 6.212 809 HB2 SER 109 1HB SER 109 -12.951 -2.919 6.631 810 HB3 SER 109 2HB SER 109 -12.341 -2.702 5.003 811 HG SER 109 HG SER 109 -14.389 -3.306 4.566 812 H GLY 110 H GLY 110 -11.432 -4.209 8.502 813 HA2 GLY 110 1HA GLY 110 -11.825 -6.845 9.377 814 HA3 GLY 110 2HA GLY 110 -11.922 -5.391 10.349 815 H VAL 111 H VAL 111 -13.957 -4.375 10.751 816 HA VAL 111 HA VAL 111 -16.313 -5.092 9.428 817 HB VAL 111 HB VAL 111 -15.996 -7.262 10.433 818 HG11 VAL 111 1HG1 VAL 111 -15.887 -5.813 13.100 819 HG12 VAL 111 2HG1 VAL 111 -15.924 -7.578 12.874 820 HG13 VAL 111 3HG1 VAL 111 -14.531 -6.635 12.292 821 HG21 VAL 111 1HG2 VAL 111 -18.279 -6.648 10.251 822 HG22 VAL 111 2HG2 VAL 111 -18.092 -7.339 11.881 823 HG23 VAL 111 3HG2 VAL 111 -18.185 -5.574 11.668 824 HA PRO 112 HA PRO 112 -17.295 -1.505 11.641 825 HB2 PRO 112 1HB PRO 112 -19.944 -1.268 11.011 826 HB3 PRO 112 2HB PRO 112 -18.654 -0.752 9.942 827 HG2 PRO 112 1HG PRO 112 -20.376 -3.147 9.747 828 HG3 PRO 112 2HG PRO 112 -19.397 -2.394 8.504 829 HD2 PRO 112 1HD PRO 112 -18.781 -4.787 9.959 830 HD3 PRO 112 2HD PRO 112 -17.751 -3.971 8.800 831 HA PRO 113 HA PRO 113 -18.705 -2.995 15.396 832 HB2 PRO 113 1HB PRO 113 -18.066 -0.836 16.944 833 HB3 PRO 113 2HB PRO 113 -16.923 -2.106 16.551 834 HG2 PRO 113 1HG PRO 113 -17.096 0.635 15.458 835 HG3 PRO 113 2HG PRO 113 -15.748 -0.483 15.409 836 HD2 PRO 113 1HD PRO 113 -17.536 0.145 13.256 837 HD3 PRO 113 2HD PRO 113 -16.261 -1.057 13.242 838 H SER 114 H SER 114 -20.235 -2.413 17.209 839 HA SER 114 HA SER 114 -21.961 -0.264 16.639 840 HB2 SER 114 1HB SER 114 -22.530 -2.398 15.046 841 HB3 SER 114 2HB SER 114 -23.463 -2.850 16.458 842 HG SER 114 HG SER 114 -24.920 -1.579 15.468 843 H GLY 115 H GLY 115 -22.116 -3.636 18.021 844 HA2 GLY 115 1HA GLY 115 -22.570 -2.417 20.673 845 HA3 GLY 115 2HA GLY 115 -23.599 -3.704 20.075 846 HA PRO 116 HA PRO 116 -19.649 -5.358 21.950 847 HB2 PRO 116 1HB PRO 116 -20.273 -5.644 24.596 848 HB3 PRO 116 2HB PRO 116 -19.345 -4.295 23.970 849 HG2 PRO 116 1HG PRO 116 -22.165 -4.354 24.855 850 HG3 PRO 116 2HG PRO 116 -21.111 -2.971 24.637 851 HD2 PRO 116 1HD PRO 116 -23.203 -3.830 22.872 852 HD3 PRO 116 2HD PRO 116 -22.074 -2.518 22.599 853 H SER 117 H SER 117 -19.220 -7.540 22.905 854 HA SER 117 HA SER 117 -19.633 -9.670 22.655 855 HB2 SER 117 1HB SER 117 -22.121 -8.733 24.127 856 HB3 SER 117 2HB SER 117 -21.839 -10.434 23.812 857 HG SER 117 HG SER 117 -19.845 -10.302 24.993 858 H SER 118 H SER 118 -19.750 -10.056 20.413 859 HA SER 118 HA SER 118 -22.467 -10.044 19.351 860 HB2 SER 118 1HB SER 118 -21.464 -9.592 17.108 861 HB3 SER 118 2HB SER 118 -21.170 -8.294 18.249 862 HG SER 118 HG SER 118 -19.152 -8.585 17.484 863 H GLY 119 H GLY 119 -22.714 -12.283 20.056 864 HA2 GLY 119 1HA GLY 119 -22.523 -14.270 18.356 865 HA3 GLY 119 2HA GLY 119 -20.859 -14.233 18.904 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -12.507 -29.610 -4.738 2 HA2 GLY 1 1HA GLY 1 -9.949 -28.528 -5.718 3 HA3 GLY 1 2HA GLY 1 -11.127 -29.432 -6.649 4 H SER 2 H SER 2 -9.938 -26.755 -7.215 5 HA SER 2 HA SER 2 -12.384 -25.176 -7.049 6 HB2 SER 2 1HB SER 2 -11.089 -23.206 -6.951 7 HB3 SER 2 2HB SER 2 -10.193 -24.327 -5.945 8 HG SER 2 HG SER 2 -8.976 -24.827 -8.055 9 H SER 3 H SER 3 -12.773 -23.711 -8.996 10 HA SER 3 HA SER 3 -12.699 -25.239 -11.307 11 HB2 SER 3 1HB SER 3 -14.373 -23.440 -10.770 12 HB3 SER 3 2HB SER 3 -13.133 -22.231 -11.035 13 HG SER 3 HG SER 3 -14.217 -24.082 -12.977 14 H GLY 4 H GLY 4 -10.953 -22.151 -10.468 15 HA2 GLY 4 1HA GLY 4 -8.565 -22.082 -10.857 16 HA3 GLY 4 2HA GLY 4 -8.817 -22.986 -12.337 17 H SER 5 H SER 5 -7.536 -21.031 -13.191 18 HA SER 5 HA SER 5 -9.367 -19.355 -14.499 19 HB2 SER 5 1HB SER 5 -8.893 -18.350 -12.052 20 HB3 SER 5 2HB SER 5 -7.449 -17.737 -12.834 21 HG SER 5 HG SER 5 -10.205 -17.191 -13.476 22 H SER 6 H SER 6 -8.148 -17.803 -16.020 23 HA SER 6 HA SER 6 -5.676 -19.122 -16.761 24 HB2 SER 6 1HB SER 6 -7.904 -18.298 -18.244 25 HB3 SER 6 2HB SER 6 -6.713 -17.064 -18.604 26 HG SER 6 HG SER 6 -5.838 -19.775 -18.671 27 H GLY 7 H GLY 7 -3.755 -17.843 -17.304 28 HA2 GLY 7 1HA GLY 7 -3.776 -15.010 -16.663 29 HA3 GLY 7 2HA GLY 7 -2.889 -16.026 -15.543 30 HA PRO 8 HA PRO 8 -0.519 -15.256 -19.523 31 HB2 PRO 8 1HB PRO 8 0.606 -12.786 -19.204 32 HB3 PRO 8 2HB PRO 8 -0.830 -13.067 -20.169 33 HG2 PRO 8 1HG PRO 8 -0.611 -11.848 -17.485 34 HG3 PRO 8 2HG PRO 8 -1.936 -11.757 -18.627 35 HD2 PRO 8 1HD PRO 8 -1.815 -13.380 -16.265 36 HD3 PRO 8 2HD PRO 8 -3.089 -13.374 -17.469 37 H GLN 9 H GLN 9 1.976 -14.645 -19.754 38 HA GLN 9 HA GLN 9 3.227 -15.154 -17.212 39 HB2 GLN 9 1HB GLN 9 2.640 -17.377 -18.543 40 HB3 GLN 9 2HB GLN 9 4.035 -16.942 -19.511 41 HG2 GLN 9 1HG GLN 9 5.493 -16.942 -17.553 42 HG3 GLN 9 2HG GLN 9 4.128 -17.097 -16.465 43 HE21 GLN 9 1HE2 GLN 9 5.061 -18.954 -15.579 44 HE22 GLN 9 2HE2 GLN 9 4.995 -20.496 -16.366 45 H LEU 10 H LEU 10 5.480 -14.527 -17.173 46 HA LEU 10 HA LEU 10 6.524 -13.417 -19.654 47 HB2 LEU 10 1HB LEU 10 6.867 -11.273 -18.852 48 HB3 LEU 10 2HB LEU 10 5.222 -11.657 -18.386 49 HG LEU 10 HG LEU 10 6.336 -12.361 -16.104 50 HD11 LEU 10 1HD1 LEU 10 8.250 -10.739 -15.616 51 HD12 LEU 10 2HD1 LEU 10 8.628 -12.187 -16.580 52 HD13 LEU 10 3HD1 LEU 10 8.435 -10.610 -17.382 53 HD21 LEU 10 1HD2 LEU 10 6.380 -9.515 -15.973 54 HD22 LEU 10 2HD2 LEU 10 5.101 -10.000 -17.112 55 HD23 LEU 10 3HD2 LEU 10 5.103 -10.641 -15.451 56 H VAL 11 H VAL 11 8.910 -12.656 -19.212 57 HA VAL 11 HA VAL 11 10.284 -13.716 -17.024 58 HB VAL 11 HB VAL 11 9.559 -15.854 -18.037 59 HG11 VAL 11 1HG1 VAL 11 10.260 -14.590 -20.462 60 HG12 VAL 11 2HG1 VAL 11 11.425 -15.918 -20.241 61 HG13 VAL 11 3HG1 VAL 11 9.678 -16.256 -20.228 62 HG21 VAL 11 1HG2 VAL 11 12.555 -15.381 -18.198 63 HG22 VAL 11 2HG2 VAL 11 11.637 -15.677 -16.702 64 HG23 VAL 11 3HG2 VAL 11 11.736 -16.942 -17.951 65 H ARG 12 H ARG 12 12.609 -13.320 -17.213 66 HA ARG 12 HA ARG 12 14.387 -12.327 -17.961 67 HB2 ARG 12 1HB ARG 12 13.591 -13.362 -20.267 68 HB3 ARG 12 2HB ARG 12 13.140 -11.717 -20.666 69 HG2 ARG 12 1HG ARG 12 15.535 -11.028 -20.004 70 HG3 ARG 12 2HG ARG 12 15.919 -12.736 -19.933 71 HD2 ARG 12 1HD ARG 12 14.560 -12.353 -22.416 72 HD3 ARG 12 2HD ARG 12 15.680 -11.013 -22.275 73 HE ARG 12 HE ARG 12 17.172 -13.256 -21.521 74 HH11 ARG 12 2HH2 ARG 12 15.354 -12.287 -24.374 75 HH12 ARG 12 1HH2 ARG 12 16.342 -13.196 -25.469 76 HH21 ARG 12 2HH1 ARG 12 18.476 -14.455 -22.965 77 HH22 ARG 12 1HH1 ARG 12 18.130 -14.437 -24.662 78 H THR 13 H THR 13 14.826 -10.306 -17.136 79 HA THR 13 HA THR 13 13.878 -7.942 -18.290 80 HB THR 13 HB THR 13 11.718 -8.808 -17.226 81 HG1 THR 13 1HG THR 13 11.348 -6.644 -16.613 82 HG21 THR 13 1HG2 THR 13 12.018 -9.675 -15.099 83 HG22 THR 13 2HG2 THR 13 13.526 -8.765 -14.843 84 HG23 THR 13 3HG2 THR 13 11.953 -7.964 -14.612 85 H HIS 14 H HIS 14 14.467 -5.988 -16.906 86 HA HIS 14 HA HIS 14 16.116 -6.360 -14.680 87 HB2 HIS 14 1HB HIS 14 17.428 -7.122 -16.968 88 HB3 HIS 14 2HB HIS 14 17.892 -5.436 -16.846 89 HD1 HIS 14 1HD HIS 14 20.044 -7.568 -16.461 90 HD2 HIS 14 2HD HIS 14 17.793 -5.976 -13.300 91 HE1 HIS 14 1HE HIS 14 21.421 -7.939 -14.344 92 H GLU 15 H GLU 15 15.782 -4.499 -13.579 93 HA GLU 15 HA GLU 15 15.753 -2.054 -15.146 94 HB2 GLU 15 1HB GLU 15 13.696 -2.786 -13.015 95 HB3 GLU 15 2HB GLU 15 13.818 -1.220 -13.792 96 HG2 GLU 15 1HG GLU 15 12.651 -1.951 -15.596 97 HG3 GLU 15 2HG GLU 15 13.757 -3.289 -15.834 98 H ASP 16 H ASP 16 16.266 -0.097 -13.851 99 HA ASP 16 HA ASP 16 18.302 -0.670 -12.019 100 HB2 ASP 16 1HB ASP 16 18.160 1.354 -13.541 101 HB3 ASP 16 2HB ASP 16 16.864 1.975 -12.538 102 H VAL 17 H VAL 17 15.090 1.042 -11.735 103 HA VAL 17 HA VAL 17 15.018 1.565 -9.097 104 HB VAL 17 HB VAL 17 12.495 0.993 -9.367 105 HG11 VAL 17 1HG1 VAL 17 13.178 3.257 -9.388 106 HG12 VAL 17 2HG1 VAL 17 14.016 3.078 -10.948 107 HG13 VAL 17 3HG1 VAL 17 12.238 3.038 -10.883 108 HG21 VAL 17 1HG2 VAL 17 13.160 -0.491 -11.436 109 HG22 VAL 17 2HG2 VAL 17 11.659 0.465 -11.457 110 HG23 VAL 17 3HG2 VAL 17 13.105 1.060 -12.308 111 HA PRO 18 HA PRO 18 14.828 -2.159 -6.914 112 HB2 PRO 18 1HB PRO 18 13.120 -1.636 -4.847 113 HB3 PRO 18 2HB PRO 18 14.786 -1.095 -4.873 114 HG2 PRO 18 1HG PRO 18 12.321 0.475 -5.317 115 HG3 PRO 18 2HG PRO 18 13.929 1.046 -4.921 116 HD2 PRO 18 1HD PRO 18 12.665 1.126 -7.494 117 HD3 PRO 18 2HD PRO 18 14.314 1.590 -7.121 118 H GLY 19 H GLY 19 13.284 -3.846 -5.735 119 HA2 GLY 19 1HA GLY 19 11.283 -4.426 -7.811 120 HA3 GLY 19 2HA GLY 19 12.032 -5.578 -6.724 121 HA PRO 20 HA PRO 20 8.091 -4.739 -4.778 122 HB2 PRO 20 1HB PRO 20 7.601 -7.295 -3.943 123 HB3 PRO 20 2HB PRO 20 7.052 -6.669 -5.485 124 HG2 PRO 20 1HG PRO 20 9.285 -8.525 -4.926 125 HG3 PRO 20 2HG PRO 20 8.460 -8.225 -6.443 126 HD2 PRO 20 1HD PRO 20 11.044 -7.247 -5.672 127 HD3 PRO 20 2HD PRO 20 10.170 -6.854 -7.138 128 H VAL 21 H VAL 21 7.892 -3.794 -2.850 129 HA VAL 21 HA VAL 21 9.978 -3.880 -1.056 130 HB VAL 21 HB VAL 21 8.240 -2.983 0.550 131 HG11 VAL 21 1HG1 VAL 21 8.148 -1.530 -2.093 132 HG12 VAL 21 2HG1 VAL 21 8.258 -0.865 -0.446 133 HG13 VAL 21 3HG1 VAL 21 9.664 -1.679 -1.173 134 HG21 VAL 21 1HG2 VAL 21 6.473 -4.127 -1.398 135 HG22 VAL 21 2HG2 VAL 21 6.076 -3.327 0.142 136 HG23 VAL 21 3HG2 VAL 21 6.214 -2.367 -1.351 137 H GLY 22 H GLY 22 9.113 -4.471 1.485 138 HA2 GLY 22 1HA GLY 22 9.562 -7.199 1.708 139 HA3 GLY 22 2HA GLY 22 8.885 -6.160 2.948 140 H HIS 23 H HIS 23 7.600 -8.130 3.534 141 HA HIS 23 HA HIS 23 5.575 -8.896 1.639 142 HB2 HIS 23 1HB HIS 23 5.276 -10.739 2.923 143 HB3 HIS 23 2HB HIS 23 6.901 -10.330 3.435 144 HD1 HIS 23 1HD HIS 23 3.785 -11.299 4.834 145 HD2 HIS 23 2HD HIS 23 6.685 -8.460 5.894 146 HE1 HIS 23 1HE HIS 23 3.411 -10.783 7.305 147 H LEU 24 H LEU 24 3.596 -7.966 1.466 148 HA LEU 24 HA LEU 24 2.921 -5.718 2.947 149 HB2 LEU 24 1HB LEU 24 1.739 -7.406 0.881 150 HB3 LEU 24 2HB LEU 24 0.538 -6.727 1.962 151 HG LEU 24 HG LEU 24 1.117 -5.428 -0.164 152 HD11 LEU 24 1HD1 LEU 24 1.456 -3.329 1.721 153 HD12 LEU 24 2HD1 LEU 24 -0.032 -3.864 0.905 154 HD13 LEU 24 3HD1 LEU 24 0.427 -4.573 2.472 155 HD21 LEU 24 1HD2 LEU 24 3.667 -5.734 0.437 156 HD22 LEU 24 2HD2 LEU 24 3.081 -4.276 -0.399 157 HD23 LEU 24 3HD2 LEU 24 3.399 -4.231 1.352 158 H SER 25 H SER 25 1.688 -5.349 4.780 159 HA SER 25 HA SER 25 0.490 -7.677 6.009 160 HB2 SER 25 1HB SER 25 2.909 -7.199 6.881 161 HB3 SER 25 2HB SER 25 2.205 -5.803 7.672 162 HG SER 25 HG SER 25 1.393 -7.076 9.184 163 H PHE 26 H PHE 26 -1.195 -7.101 7.597 164 HA PHE 26 HA PHE 26 -1.876 -4.262 7.637 165 HB2 PHE 26 1HB PHE 26 -3.716 -6.641 6.977 166 HB3 PHE 26 2HB PHE 26 -4.260 -4.982 7.125 167 HD1 PHE 26 1HD PHE 26 -2.261 -3.475 5.638 168 HD2 PHE 26 2HD PHE 26 -3.990 -7.251 4.764 169 HE1 PHE 26 1HE PHE 26 -1.820 -3.111 3.193 170 HE2 PHE 26 2HE PHE 26 -3.549 -6.887 2.320 171 HZ PHE 26 HZ PHE 26 -2.470 -4.822 1.564 172 H SER 27 H SER 27 -2.889 -3.574 9.545 173 HA SER 27 HA SER 27 -3.732 -5.621 11.386 174 HB2 SER 27 1HB SER 27 -1.604 -3.555 12.102 175 HB3 SER 27 2HB SER 27 -2.380 -4.628 13.249 176 HG SER 27 HG SER 27 -0.496 -5.239 11.183 177 H GLU 28 H GLU 28 -4.584 -4.369 13.522 178 HA GLU 28 HA GLU 28 -6.302 -3.177 14.185 179 HB2 GLU 28 1HB GLU 28 -4.472 -1.013 13.068 180 HB3 GLU 28 2HB GLU 28 -5.874 -0.652 14.056 181 HG2 GLU 28 1HG GLU 28 -4.449 -2.718 15.427 182 HG3 GLU 28 2HG GLU 28 -3.240 -1.567 14.892 183 H ILE 29 H ILE 29 -7.140 -4.379 11.910 184 HA ILE 29 HA ILE 29 -8.080 -2.389 10.043 185 HB ILE 29 HB ILE 29 -8.671 -5.345 10.134 186 HG12 ILE 29 1HG1 ILE 29 -6.229 -3.864 9.247 187 HG13 ILE 29 2HG1 ILE 29 -6.371 -5.417 10.046 188 HG21 ILE 29 1HG2 ILE 29 -9.621 -5.136 8.104 189 HG22 ILE 29 2HG2 ILE 29 -9.865 -3.449 8.616 190 HG23 ILE 29 3HG2 ILE 29 -8.484 -3.873 7.576 191 HD11 ILE 29 1HD1 ILE 29 -7.617 -6.098 7.769 192 HD12 ILE 29 2HD1 ILE 29 -6.653 -4.746 7.127 193 HD13 ILE 29 3HD1 ILE 29 -5.842 -6.130 7.898 194 H LEU 30 H LEU 30 -10.149 -1.572 9.891 195 HA LEU 30 HA LEU 30 -11.994 -2.496 11.983 196 HB2 LEU 30 1HB LEU 30 -11.562 0.278 10.871 197 HB3 LEU 30 2HB LEU 30 -12.903 -0.169 11.907 198 HG LEU 30 HG LEU 30 -11.231 0.920 13.232 199 HD11 LEU 30 1HD1 LEU 30 -12.431 -1.276 14.015 200 HD12 LEU 30 2HD1 LEU 30 -10.782 -1.946 13.985 201 HD13 LEU 30 3HD1 LEU 30 -11.152 -0.538 15.009 202 HD21 LEU 30 1HD2 LEU 30 -9.353 0.296 11.586 203 HD22 LEU 30 2HD2 LEU 30 -8.957 0.407 13.318 204 HD23 LEU 30 3HD2 LEU 30 -9.185 -1.186 12.557 205 H ASP 31 H ASP 31 -13.549 -0.212 10.138 206 HA ASP 31 HA ASP 31 -14.696 -2.327 8.506 207 HB2 ASP 31 1HB ASP 31 -16.534 -0.421 8.247 208 HB3 ASP 31 2HB ASP 31 -16.492 -1.428 9.680 209 H THR 32 H THR 32 -13.162 0.896 8.568 210 HA THR 32 HA THR 32 -12.735 0.744 5.705 211 HB THR 32 HB THR 32 -13.800 2.873 5.233 212 HG1 THR 32 1HG THR 32 -13.463 4.141 7.052 213 HG21 THR 32 1HG2 THR 32 -15.473 0.997 5.506 214 HG22 THR 32 2HG2 THR 32 -15.619 1.424 7.228 215 HG23 THR 32 3HG2 THR 32 -16.141 2.578 5.977 216 H SER 33 H SER 33 -11.176 0.512 8.259 217 HA SER 33 HA SER 33 -9.175 2.406 7.444 218 HB2 SER 33 1HB SER 33 -8.807 2.879 10.022 219 HB3 SER 33 2HB SER 33 -9.974 3.817 9.112 220 HG SER 33 HG SER 33 -10.530 2.613 11.311 221 H LEU 34 H LEU 34 -7.181 1.396 7.460 222 HA LEU 34 HA LEU 34 -6.647 -0.654 9.410 223 HB2 LEU 34 1HB LEU 34 -6.218 -2.422 7.872 224 HB3 LEU 34 2HB LEU 34 -7.874 -1.881 7.682 225 HG LEU 34 HG LEU 34 -6.891 -0.430 5.724 226 HD11 LEU 34 1HD1 LEU 34 -4.523 -1.433 6.531 227 HD12 LEU 34 2HD1 LEU 34 -4.969 -2.647 5.308 228 HD13 LEU 34 3HD1 LEU 34 -4.866 -0.927 4.860 229 HD21 LEU 34 1HD2 LEU 34 -8.261 -2.827 5.891 230 HD22 LEU 34 2HD2 LEU 34 -8.014 -1.851 4.424 231 HD23 LEU 34 3HD2 LEU 34 -6.911 -3.198 4.793 232 H LYS 35 H LYS 35 -4.374 -1.099 9.602 233 HA LYS 35 HA LYS 35 -2.787 1.060 8.460 234 HB2 LYS 35 1HB LYS 35 -2.927 0.426 10.980 235 HB3 LYS 35 2HB LYS 35 -1.855 -0.893 10.557 236 HG2 LYS 35 1HG LYS 35 -1.217 1.955 9.705 237 HG3 LYS 35 2HG LYS 35 -0.803 1.389 11.311 238 HD2 LYS 35 1HD LYS 35 -0.009 -0.479 9.138 239 HD3 LYS 35 2HD LYS 35 0.785 1.080 9.056 240 HE2 LYS 35 1HE LYS 35 0.769 -0.843 11.427 241 HE3 LYS 35 2HE LYS 35 2.147 -0.408 10.435 242 HZ1 LYS 35 1HZ LYS 35 1.238 1.967 11.295 243 HZ2 LYS 35 2HZ LYS 35 0.972 1.016 12.595 244 HZ3 LYS 35 3HZ LYS 35 2.474 1.137 11.966 245 H VAL 36 H VAL 36 -1.042 0.737 7.085 246 HA VAL 36 HA VAL 36 -0.739 -2.034 6.153 247 HB VAL 36 HB VAL 36 -0.511 0.604 4.696 248 HG11 VAL 36 1HG1 VAL 36 -0.333 -1.805 3.050 249 HG12 VAL 36 2HG1 VAL 36 0.680 -0.342 3.051 250 HG13 VAL 36 3HG1 VAL 36 1.021 -1.662 4.196 251 HG21 VAL 36 1HG2 VAL 36 -2.435 -1.731 4.490 252 HG22 VAL 36 2HG2 VAL 36 -2.801 -0.045 4.929 253 HG23 VAL 36 3HG2 VAL 36 -2.309 -0.445 3.266 254 H SER 37 H SER 37 1.284 -2.946 6.204 255 HA SER 37 HA SER 37 3.483 -1.128 6.759 256 HB2 SER 37 1HB SER 37 4.340 -3.102 8.291 257 HB3 SER 37 2HB SER 37 3.206 -1.928 8.929 258 HG SER 37 HG SER 37 1.536 -3.610 8.005 259 H TRP 38 H TRP 38 5.575 -1.906 5.995 260 HA TRP 38 HA TRP 38 5.617 -4.437 4.597 261 HB2 TRP 38 1HB TRP 38 6.333 -3.452 2.474 262 HB3 TRP 38 2HB TRP 38 4.673 -3.064 2.878 263 HD1 TRP 38 HD TRP 38 8.110 -1.371 2.500 264 HE1 TRP 38 1HE TRP 38 7.877 1.254 2.363 265 HE3 TRP 38 3HE TRP 38 3.154 -1.227 3.627 266 HZ2 TRP 38 2HZ TRP 38 5.694 3.056 2.733 267 HZ3 TRP 38 3HZ TRP 38 2.048 1.005 3.718 268 HH2 TRP 38 HH TRP 38 3.236 3.099 3.294 269 H GLN 39 H GLN 39 8.009 -4.492 3.482 270 HA GLN 39 HA GLN 39 9.790 -3.239 5.423 271 HB2 GLN 39 1HB GLN 39 9.372 -6.058 4.862 272 HB3 GLN 39 2HB GLN 39 11.019 -5.625 4.451 273 HG2 GLN 39 1HG GLN 39 9.724 -4.860 7.106 274 HG3 GLN 39 2HG GLN 39 10.625 -6.347 6.883 275 HE21 GLN 39 1HE2 GLN 39 10.776 -3.135 7.734 276 HE22 GLN 39 2HE2 GLN 39 12.484 -2.858 7.642 277 H GLU 40 H GLU 40 12.254 -3.703 4.407 278 HA GLU 40 HA GLU 40 12.185 -2.125 2.046 279 HB2 GLU 40 1HB GLU 40 14.076 -2.754 4.131 280 HB3 GLU 40 2HB GLU 40 14.835 -3.098 2.590 281 HG2 GLU 40 1HG GLU 40 14.633 -0.869 1.831 282 HG3 GLU 40 2HG GLU 40 13.301 -0.511 2.911 283 HA PRO 41 HA PRO 41 12.506 -5.427 -0.764 284 HB2 PRO 41 1HB PRO 41 13.266 -4.066 -3.009 285 HB3 PRO 41 2HB PRO 41 11.604 -4.159 -2.461 286 HG2 PRO 41 1HG PRO 41 13.491 -1.891 -2.281 287 HG3 PRO 41 2HG PRO 41 11.745 -1.879 -2.139 288 HD2 PRO 41 1HD PRO 41 13.642 -1.694 0.004 289 HD3 PRO 41 2HD PRO 41 11.899 -1.800 0.153 290 H GLY 42 H GLY 42 13.900 -6.906 -1.782 291 HA2 GLY 42 1HA GLY 42 16.522 -6.825 -0.694 292 HA3 GLY 42 2HA GLY 42 15.881 -7.979 -1.847 293 H GLU 43 H GLU 43 15.050 -5.949 -3.853 294 HA GLU 43 HA GLU 43 17.662 -5.588 -4.992 295 HB2 GLU 43 1HB GLU 43 14.829 -5.324 -6.054 296 HB3 GLU 43 2HB GLU 43 16.201 -4.773 -6.993 297 HG2 GLU 43 1HG GLU 43 15.745 -7.607 -5.951 298 HG3 GLU 43 2HG GLU 43 15.637 -7.086 -7.620 299 H LYS 44 H LYS 44 17.509 -3.964 -2.791 300 HA LYS 44 HA LYS 44 16.364 -1.551 -2.844 301 HB2 LYS 44 1HB LYS 44 19.173 -2.327 -2.036 302 HB3 LYS 44 2HB LYS 44 18.525 -0.724 -1.753 303 HG2 LYS 44 1HG LYS 44 16.477 -2.029 -0.683 304 HG3 LYS 44 2HG LYS 44 17.605 -3.366 -0.586 305 HD2 LYS 44 1HD LYS 44 19.080 -2.186 0.872 306 HD3 LYS 44 2HD LYS 44 18.400 -0.626 0.452 307 HE2 LYS 44 1HE LYS 44 16.937 -0.776 2.177 308 HE3 LYS 44 2HE LYS 44 16.251 -2.235 1.490 309 HZ1 LYS 44 1HZ LYS 44 17.281 -2.407 3.755 310 HZ2 LYS 44 2HZ LYS 44 17.738 -3.543 2.674 311 HZ3 LYS 44 3HZ LYS 44 18.740 -2.303 3.028 312 H ASN 45 H ASN 45 18.982 -2.703 -4.975 313 HA ASN 45 HA ASN 45 20.094 -1.725 -6.587 314 HB2 ASN 45 1HB ASN 45 17.200 -1.269 -7.048 315 HB3 ASN 45 2HB ASN 45 18.202 -0.140 -7.938 316 HD21 ASN 45 1HD2 ASN 45 16.811 -3.151 -7.926 317 HD22 ASN 45 2HD2 ASN 45 17.721 -3.935 -9.174 318 H GLY 46 H GLY 46 19.935 -0.157 -4.021 319 HA2 GLY 46 1HA GLY 46 21.370 1.959 -4.214 320 HA3 GLY 46 2HA GLY 46 19.954 2.619 -5.007 321 H ILE 47 H ILE 47 19.774 4.212 -3.270 322 HA ILE 47 HA ILE 47 18.779 3.030 -0.772 323 HB ILE 47 HB ILE 47 20.200 5.639 -1.296 324 HG12 ILE 47 1HG1 ILE 47 21.768 4.634 0.454 325 HG13 ILE 47 2HG1 ILE 47 20.942 3.111 0.189 326 HG21 ILE 47 1HG2 ILE 47 20.023 5.759 1.300 327 HG22 ILE 47 2HG2 ILE 47 18.661 6.305 0.293 328 HG23 ILE 47 3HG2 ILE 47 18.607 4.705 1.072 329 HD11 ILE 47 1HD1 ILE 47 21.678 2.939 -2.051 330 HD12 ILE 47 2HD1 ILE 47 22.003 4.685 -2.176 331 HD13 ILE 47 3HD1 ILE 47 23.087 3.644 -1.222 332 H LEU 48 H LEU 48 16.597 2.820 -1.185 333 HA LEU 48 HA LEU 48 15.007 4.282 -2.764 334 HB2 LEU 48 1HB LEU 48 14.009 3.557 -0.040 335 HB3 LEU 48 2HB LEU 48 13.205 3.439 -1.593 336 HG LEU 48 HG LEU 48 13.599 1.228 -1.106 337 HD11 LEU 48 1HD1 LEU 48 15.215 2.363 -3.123 338 HD12 LEU 48 2HD1 LEU 48 16.203 1.120 -2.318 339 HD13 LEU 48 3HD1 LEU 48 14.616 0.691 -3.001 340 HD21 LEU 48 1HD2 LEU 48 16.317 0.956 -0.330 341 HD22 LEU 48 2HD2 LEU 48 15.608 2.268 0.641 342 HD23 LEU 48 3HD2 LEU 48 14.849 0.658 0.632 343 H THR 49 H THR 49 13.924 6.254 -2.769 344 HA THR 49 HA THR 49 14.811 8.116 -0.669 345 HB THR 49 HB THR 49 14.386 9.838 -2.483 346 HG1 THR 49 1HG THR 49 13.709 8.980 -4.500 347 HG21 THR 49 1HG2 THR 49 16.497 9.521 -3.316 348 HG22 THR 49 2HG2 THR 49 16.553 8.029 -2.345 349 HG23 THR 49 3HG2 THR 49 16.036 7.965 -4.048 350 H GLY 50 H GLY 50 12.262 6.149 -1.367 351 HA2 GLY 50 1HA GLY 50 10.506 7.257 0.419 352 HA3 GLY 50 2HA GLY 50 10.085 7.991 -1.115 353 H TYR 51 H TYR 51 8.098 6.519 -0.128 354 HA TYR 51 HA TYR 51 8.174 4.108 -1.788 355 HB2 TYR 51 1HB TYR 51 7.427 4.525 1.160 356 HB3 TYR 51 2HB TYR 51 6.746 3.180 0.267 357 HD1 TYR 51 2HD TYR 51 8.411 1.531 -0.851 358 HD2 TYR 51 1HD TYR 51 9.531 4.326 2.189 359 HE1 TYR 51 2HE TYR 51 10.480 0.148 -0.331 360 HE2 TYR 51 1HE TYR 51 11.596 2.933 2.698 361 HH TYR 51 HH TYR 51 12.936 1.331 1.859 362 H ARG 52 H ARG 52 6.378 3.889 -3.053 363 HA ARG 52 HA ARG 52 4.297 5.834 -2.576 364 HB2 ARG 52 1HB ARG 52 5.274 5.763 -4.848 365 HB3 ARG 52 2HB ARG 52 4.915 4.053 -4.986 366 HG2 ARG 52 1HG ARG 52 2.667 4.409 -5.393 367 HG3 ARG 52 2HG ARG 52 2.575 5.784 -4.311 368 HD2 ARG 52 1HD ARG 52 2.501 7.041 -6.222 369 HD3 ARG 52 2HD ARG 52 4.234 6.786 -6.286 370 HE ARG 52 HE ARG 52 2.727 4.594 -7.501 371 HH11 ARG 52 2HH2 ARG 52 4.110 7.780 -8.066 372 HH12 ARG 52 1HH2 ARG 52 4.232 7.563 -9.781 373 HH21 ARG 52 2HH1 ARG 52 2.887 4.308 -9.763 374 HH22 ARG 52 1HH1 ARG 52 3.531 5.575 -10.752 375 H ILE 53 H ILE 53 2.284 5.222 -1.803 376 HA ILE 53 HA ILE 53 1.681 2.347 -1.881 377 HB ILE 53 HB ILE 53 2.271 2.948 0.355 378 HG12 ILE 53 1HG1 ILE 53 -0.713 2.623 -0.042 379 HG13 ILE 53 2HG1 ILE 53 0.478 1.354 0.164 380 HG21 ILE 53 1HG2 ILE 53 0.232 4.780 1.126 381 HG22 ILE 53 2HG2 ILE 53 1.998 4.995 1.157 382 HG23 ILE 53 3HG2 ILE 53 1.071 5.451 -0.293 383 HD11 ILE 53 1HD1 ILE 53 0.705 3.238 2.365 384 HD12 ILE 53 2HD1 ILE 53 -0.984 2.699 2.202 385 HD13 ILE 53 3HD1 ILE 53 0.316 1.501 2.416 386 H SER 54 H SER 54 -0.507 1.759 -2.290 387 HA SER 54 HA SER 54 -2.357 3.889 -2.777 388 HB2 SER 54 1HB SER 54 -2.760 2.590 -5.136 389 HB3 SER 54 2HB SER 54 -1.767 4.026 -4.982 390 HG SER 54 HG SER 54 -0.356 2.672 -5.952 391 H TRP 55 H TRP 55 -4.285 3.181 -1.938 392 HA TRP 55 HA TRP 55 -4.664 0.275 -1.774 393 HB2 TRP 55 1HB TRP 55 -6.205 0.756 0.055 394 HB3 TRP 55 2HB TRP 55 -4.584 1.341 0.378 395 HD1 TRP 55 HD TRP 55 -7.953 2.862 -0.910 396 HE1 TRP 55 1HE TRP 55 -8.235 5.339 -0.043 397 HE3 TRP 55 3HE TRP 55 -3.438 3.121 1.414 398 HZ2 TRP 55 2HZ TRP 55 -6.576 7.088 1.483 399 HZ3 TRP 55 3HZ TRP 55 -2.846 5.249 2.569 400 HH2 TRP 55 HH TRP 55 -4.331 7.190 2.627 401 H GLU 56 H GLU 56 -6.117 -0.583 -3.197 402 HA GLU 56 HA GLU 56 -8.334 1.115 -3.980 403 HB2 GLU 56 1HB GLU 56 -8.048 0.735 -6.310 404 HB3 GLU 56 2HB GLU 56 -6.448 1.149 -5.728 405 HG2 GLU 56 1HG GLU 56 -5.894 -1.298 -5.556 406 HG3 GLU 56 2HG GLU 56 -7.483 -1.691 -6.181 407 H GLU 57 H GLU 57 -10.295 -0.014 -4.314 408 HA GLU 57 HA GLU 57 -10.701 -2.277 -2.929 409 HB2 GLU 57 1HB GLU 57 -12.155 -0.977 -5.228 410 HB3 GLU 57 2HB GLU 57 -12.710 -2.545 -4.678 411 HG2 GLU 57 1HG GLU 57 -12.281 -1.060 -2.300 412 HG3 GLU 57 2HG GLU 57 -13.024 0.077 -3.408 413 H TYR 58 H TYR 58 -11.675 -4.438 -4.018 414 HA TYR 58 HA TYR 58 -9.573 -5.886 -4.988 415 HB2 TYR 58 1HB TYR 58 -11.681 -6.834 -4.090 416 HB3 TYR 58 2HB TYR 58 -12.626 -6.033 -5.329 417 HD1 TYR 58 2HD TYR 58 -9.923 -8.600 -4.945 418 HD2 TYR 58 1HD TYR 58 -13.257 -7.217 -7.241 419 HE1 TYR 58 2HE TYR 58 -9.795 -10.682 -6.398 420 HE2 TYR 58 1HE TYR 58 -13.118 -9.303 -8.687 421 HH TYR 58 HH TYR 58 -10.704 -11.052 -9.096 422 H ASN 59 H ASN 59 -12.391 -4.710 -6.974 423 HA ASN 59 HA ASN 59 -10.514 -4.601 -9.200 424 HB2 ASN 59 1HB ASN 59 -12.366 -6.520 -9.144 425 HB3 ASN 59 2HB ASN 59 -13.461 -5.231 -9.604 426 HD21 ASN 59 1HD2 ASN 59 -12.071 -7.690 -10.893 427 HD22 ASN 59 2HD2 ASN 59 -11.562 -7.122 -12.449 428 H ARG 60 H ARG 60 -10.582 -2.273 -8.080 429 HA ARG 60 HA ARG 60 -12.345 -0.717 -9.683 430 HB2 ARG 60 1HB ARG 60 -12.458 0.130 -6.817 431 HB3 ARG 60 2HB ARG 60 -13.707 0.198 -8.043 432 HG2 ARG 60 1HG ARG 60 -14.077 -2.252 -7.837 433 HG3 ARG 60 2HG ARG 60 -12.781 -2.366 -6.663 434 HD2 ARG 60 1HD ARG 60 -14.634 -2.218 -5.240 435 HD3 ARG 60 2HD ARG 60 -14.179 -0.528 -5.344 436 HE ARG 60 HE ARG 60 -16.181 -0.100 -6.466 437 HH11 ARG 60 2HH2 ARG 60 -15.439 -3.529 -6.750 438 HH12 ARG 60 1HH2 ARG 60 -16.933 -3.918 -7.535 439 HH21 ARG 60 2HH1 ARG 60 -18.152 -0.613 -7.502 440 HH22 ARG 60 1HH1 ARG 60 -18.487 -2.248 -7.965 441 H THR 61 H THR 61 -11.004 0.869 -10.485 442 HA THR 61 HA THR 61 -8.596 1.520 -8.988 443 HB THR 61 HB THR 61 -9.608 2.162 -11.807 444 HG1 THR 61 1HG THR 61 -8.304 0.370 -12.246 445 HG21 THR 61 1HG2 THR 61 -8.017 3.880 -11.495 446 HG22 THR 61 2HG2 THR 61 -7.105 2.945 -10.286 447 HG23 THR 61 3HG2 THR 61 -6.972 2.536 -12.013 448 H ASN 62 H ASN 62 -11.691 2.977 -10.010 449 HA ASN 62 HA ASN 62 -11.184 5.579 -9.669 450 HB2 ASN 62 1HB ASN 62 -13.428 4.307 -10.166 451 HB3 ASN 62 2HB ASN 62 -13.657 4.290 -8.429 452 HD21 ASN 62 1HD2 ASN 62 -15.309 5.655 -8.210 453 HD22 ASN 62 2HD2 ASN 62 -15.305 7.331 -8.647 454 H THR 63 H THR 63 -11.627 3.023 -7.180 455 HA THR 63 HA THR 63 -11.454 4.970 -5.023 456 HB THR 63 HB THR 63 -12.268 3.192 -3.681 457 HG1 THR 63 1HG THR 63 -11.290 1.454 -5.834 458 HG21 THR 63 1HG2 THR 63 -13.625 3.569 -6.051 459 HG22 THR 63 2HG2 THR 63 -13.218 1.841 -6.175 460 HG23 THR 63 3HG2 THR 63 -14.158 2.437 -4.786 461 H ARG 64 H ARG 64 -9.181 4.862 -6.784 462 HA ARG 64 HA ARG 64 -7.275 3.456 -5.111 463 HB2 ARG 64 1HB ARG 64 -7.217 3.019 -7.583 464 HB3 ARG 64 2HB ARG 64 -6.924 4.722 -7.877 465 HG2 ARG 64 1HG ARG 64 -5.065 3.299 -5.979 466 HG3 ARG 64 2HG ARG 64 -4.910 2.935 -7.686 467 HD2 ARG 64 1HD ARG 64 -4.952 5.587 -7.962 468 HD3 ARG 64 2HD ARG 64 -4.493 5.581 -6.271 469 HE ARG 64 HE ARG 64 -2.380 4.726 -6.853 470 HH11 ARG 64 2HH2 ARG 64 -4.560 4.483 -9.605 471 HH12 ARG 64 1HH2 ARG 64 -3.308 4.045 -10.720 472 HH21 ARG 64 2HH1 ARG 64 -0.729 4.149 -8.324 473 HH22 ARG 64 1HH1 ARG 64 -1.115 3.854 -9.986 474 H VAL 65 H VAL 65 -5.556 4.585 -4.070 475 HA VAL 65 HA VAL 65 -5.717 7.513 -4.288 476 HB VAL 65 HB VAL 65 -6.632 6.547 -2.182 477 HG11 VAL 65 1HG1 VAL 65 -4.529 5.928 -0.592 478 HG12 VAL 65 2HG1 VAL 65 -5.499 4.717 -1.466 479 HG13 VAL 65 3HG1 VAL 65 -3.950 5.275 -2.143 480 HG21 VAL 65 1HG2 VAL 65 -5.130 8.791 -2.554 481 HG22 VAL 65 2HG2 VAL 65 -5.960 8.375 -1.036 482 HG23 VAL 65 3HG2 VAL 65 -4.232 7.998 -1.238 483 H THR 66 H THR 66 -3.624 8.635 -3.783 484 HA THR 66 HA THR 66 -1.305 6.918 -4.335 485 HB THR 66 HB THR 66 -2.109 9.523 -5.733 486 HG1 THR 66 1HG THR 66 -2.376 8.032 -7.451 487 HG21 THR 66 1HG2 THR 66 0.074 8.158 -7.004 488 HG22 THR 66 2HG2 THR 66 0.091 9.785 -6.282 489 HG23 THR 66 3HG2 THR 66 0.522 8.369 -5.294 490 H HIS 67 H HIS 67 -0.413 6.940 -2.320 491 HA HIS 67 HA HIS 67 -0.038 9.588 -1.139 492 HB2 HIS 67 1HB HIS 67 -0.500 6.874 -0.048 493 HB3 HIS 67 2HB HIS 67 0.690 7.831 0.812 494 HD1 HIS 67 1HD HIS 67 -0.846 10.635 0.276 495 HD2 HIS 67 2HD HIS 67 -2.469 7.135 1.923 496 HE1 HIS 67 1HE HIS 67 -2.867 11.363 1.654 497 H TYR 68 H TYR 68 2.098 10.033 -0.115 498 HA TYR 68 HA TYR 68 4.255 8.478 -1.361 499 HB2 TYR 68 1HB TYR 68 3.723 11.502 -1.168 500 HB3 TYR 68 2HB TYR 68 5.323 10.882 -1.528 501 HD1 TYR 68 2HD TYR 68 5.095 8.866 -3.477 502 HD2 TYR 68 1HD TYR 68 2.636 12.338 -3.029 503 HE1 TYR 68 2HE TYR 68 4.496 8.768 -5.946 504 HE2 TYR 68 1HE TYR 68 2.045 12.229 -5.499 505 HH TYR 68 HH TYR 68 3.336 9.626 -7.549 506 H LEU 69 H LEU 69 5.644 7.719 0.151 507 HA LEU 69 HA LEU 69 5.882 9.292 2.622 508 HB2 LEU 69 1HB LEU 69 6.246 6.319 2.546 509 HB3 LEU 69 2HB LEU 69 5.922 7.365 3.914 510 HG LEU 69 HG LEU 69 3.854 7.071 1.754 511 HD11 LEU 69 1HD1 LEU 69 4.797 4.943 3.546 512 HD12 LEU 69 2HD1 LEU 69 3.044 5.245 3.627 513 HD13 LEU 69 3HD1 LEU 69 3.809 4.856 2.068 514 HD21 LEU 69 1HD2 LEU 69 2.366 7.317 3.826 515 HD22 LEU 69 2HD2 LEU 69 3.853 7.788 4.684 516 HD23 LEU 69 3HD2 LEU 69 3.288 8.744 3.292 517 HA PRO 70 HA PRO 70 10.138 9.250 1.913 518 HB2 PRO 70 1HB PRO 70 11.205 9.204 4.428 519 HB3 PRO 70 2HB PRO 70 10.553 10.654 3.690 520 HG2 PRO 70 1HG PRO 70 9.369 8.953 5.798 521 HG3 PRO 70 2HG PRO 70 8.957 10.598 5.355 522 HD2 PRO 70 1HD PRO 70 7.488 8.224 4.695 523 HD3 PRO 70 2HD PRO 70 7.142 9.855 4.155 524 H ASN 71 H ASN 71 12.362 8.183 2.488 525 HA ASN 71 HA ASN 71 11.820 5.417 2.030 526 HB2 ASN 71 1HB ASN 71 14.218 5.249 1.563 527 HB3 ASN 71 2HB ASN 71 13.629 6.717 0.809 528 HD21 ASN 71 1HD2 ASN 71 16.229 5.663 2.122 529 HD22 ASN 71 2HD2 ASN 71 16.784 6.985 3.093 530 H VAL 72 H VAL 72 11.381 6.908 4.737 531 HA VAL 72 HA VAL 72 13.141 5.213 6.371 532 HB VAL 72 HB VAL 72 12.881 6.864 8.126 533 HG11 VAL 72 1HG1 VAL 72 14.059 8.796 7.003 534 HG12 VAL 72 2HG1 VAL 72 14.778 7.194 6.709 535 HG13 VAL 72 3HG1 VAL 72 13.785 7.968 5.451 536 HG21 VAL 72 1HG2 VAL 72 11.658 8.944 6.424 537 HG22 VAL 72 2HG2 VAL 72 10.565 7.615 6.879 538 HG23 VAL 72 3HG2 VAL 72 11.393 8.559 8.141 539 H THR 73 H THR 73 9.883 6.044 5.384 540 HA THR 73 HA THR 73 8.784 4.452 7.593 541 HB THR 73 HB THR 73 7.653 6.525 5.657 542 HG1 THR 73 1HG THR 73 7.617 6.161 8.564 543 HG21 THR 73 1HG2 THR 73 6.149 4.888 7.765 544 HG22 THR 73 2HG2 THR 73 5.475 6.203 6.772 545 HG23 THR 73 3HG2 THR 73 5.959 4.669 6.009 546 H LEU 74 H LEU 74 7.518 2.624 7.254 547 HA LEU 74 HA LEU 74 7.344 1.713 4.483 548 HB2 LEU 74 1HB LEU 74 8.191 -0.195 6.630 549 HB3 LEU 74 2HB LEU 74 8.320 -0.349 4.889 550 HG LEU 74 HG LEU 74 9.878 1.863 6.119 551 HD11 LEU 74 1HD1 LEU 74 10.994 -0.921 6.349 552 HD12 LEU 74 2HD1 LEU 74 11.533 0.585 7.129 553 HD13 LEU 74 3HD1 LEU 74 10.032 -0.206 7.665 554 HD21 LEU 74 1HD2 LEU 74 11.041 1.737 4.220 555 HD22 LEU 74 2HD2 LEU 74 11.230 -0.028 4.346 556 HD23 LEU 74 3HD2 LEU 74 9.749 0.660 3.637 557 H GLU 75 H GLU 75 5.668 2.791 6.971 558 HA GLU 75 HA GLU 75 3.540 0.902 6.464 559 HB2 GLU 75 1HB GLU 75 2.988 0.607 8.800 560 HB3 GLU 75 2HB GLU 75 4.681 0.200 8.600 561 HG2 GLU 75 1HG GLU 75 4.409 3.055 9.143 562 HG3 GLU 75 2HG GLU 75 3.561 2.135 10.370 563 H TYR 76 H TYR 76 1.389 1.823 6.799 564 HA TYR 76 HA TYR 76 1.207 4.575 7.615 565 HB2 TYR 76 1HB TYR 76 1.970 4.653 5.201 566 HB3 TYR 76 2HB TYR 76 0.681 3.553 4.754 567 HD1 TYR 76 2HD TYR 76 -1.663 4.324 4.674 568 HD2 TYR 76 1HD TYR 76 1.532 7.011 5.608 569 HE1 TYR 76 2HE TYR 76 -3.192 6.306 4.233 570 HE2 TYR 76 1HE TYR 76 -0.008 8.985 5.163 571 HH TYR 76 HH TYR 76 -3.391 8.451 4.203 572 H ARG 77 H ARG 77 -1.024 5.278 7.868 573 HA ARG 77 HA ARG 77 -2.735 2.981 8.207 574 HB2 ARG 77 1HB ARG 77 -2.482 4.496 10.140 575 HB3 ARG 77 2HB ARG 77 -2.962 5.875 9.173 576 HG2 ARG 77 1HG ARG 77 -5.188 5.401 9.384 577 HG3 ARG 77 2HG ARG 77 -4.949 3.695 9.063 578 HD2 ARG 77 1HD ARG 77 -5.790 3.983 11.357 579 HD3 ARG 77 2HD ARG 77 -4.152 3.360 11.414 580 HE ARG 77 HE ARG 77 -3.402 5.410 12.313 581 HH11 ARG 77 2HH2 ARG 77 -6.726 5.716 11.200 582 HH12 ARG 77 1HH2 ARG 77 -6.972 7.255 11.954 583 HH21 ARG 77 2HH1 ARG 77 -3.726 7.441 13.308 584 HH22 ARG 77 1HH1 ARG 77 -5.254 8.244 13.162 585 H VAL 78 H VAL 78 -4.485 2.591 6.860 586 HA VAL 78 HA VAL 78 -5.043 4.636 4.847 587 HB VAL 78 HB VAL 78 -5.766 1.701 4.962 588 HG11 VAL 78 1HG1 VAL 78 -7.341 2.522 3.505 589 HG12 VAL 78 2HG1 VAL 78 -6.325 3.894 3.001 590 HG13 VAL 78 3HG1 VAL 78 -5.989 2.261 2.377 591 HG21 VAL 78 1HG2 VAL 78 -3.506 3.166 3.569 592 HG22 VAL 78 2HG2 VAL 78 -3.391 1.857 4.770 593 HG23 VAL 78 3HG2 VAL 78 -4.021 1.517 3.141 594 H THR 79 H THR 79 -7.230 5.283 4.389 595 HA THR 79 HA THR 79 -9.342 4.361 6.102 596 HB THR 79 HB THR 79 -9.697 6.719 7.046 597 HG1 THR 79 1HG THR 79 -8.018 8.176 6.593 598 HG21 THR 79 1HG2 THR 79 -8.408 4.837 8.315 599 HG22 THR 79 2HG2 THR 79 -6.928 5.668 7.780 600 HG23 THR 79 3HG2 THR 79 -8.094 6.512 8.827 601 H GLY 80 H GLY 80 -11.414 4.966 5.366 602 HA2 GLY 80 1HA GLY 80 -12.818 6.230 3.957 603 HA3 GLY 80 2HA GLY 80 -11.462 6.577 2.903 604 H LEU 81 H LEU 81 -11.703 3.299 4.156 605 HA LEU 81 HA LEU 81 -12.143 2.343 1.474 606 HB2 LEU 81 1HB LEU 81 -11.883 0.634 3.926 607 HB3 LEU 81 2HB LEU 81 -11.459 0.260 2.268 608 HG LEU 81 HG LEU 81 -9.987 2.466 3.667 609 HD11 LEU 81 1HD1 LEU 81 -10.141 -0.180 4.712 610 HD12 LEU 81 2HD1 LEU 81 -8.520 0.050 4.015 611 HD13 LEU 81 3HD1 LEU 81 -9.126 1.179 5.251 612 HD21 LEU 81 1HD2 LEU 81 -8.925 2.425 1.715 613 HD22 LEU 81 2HD2 LEU 81 -8.243 0.855 2.202 614 HD23 LEU 81 3HD2 LEU 81 -9.731 0.914 1.228 615 H THR 82 H THR 82 -13.471 -0.150 2.782 616 HA THR 82 HA THR 82 -16.112 0.956 3.344 617 HB THR 82 HB THR 82 -15.611 -1.114 1.146 618 HG1 THR 82 1HG THR 82 -15.506 0.692 -0.183 619 HG21 THR 82 1HG2 THR 82 -17.902 -1.300 1.684 620 HG22 THR 82 2HG2 THR 82 -18.007 0.389 2.236 621 HG23 THR 82 3HG2 THR 82 -17.940 0.024 0.495 622 H ALA 83 H ALA 83 -17.539 -0.510 4.421 623 HA ALA 83 HA ALA 83 -16.088 -2.305 6.105 624 HB1 ALA 83 1HB ALA 83 -18.554 -0.852 6.129 625 HB2 ALA 83 2HB ALA 83 -18.934 -2.575 6.365 626 HB3 ALA 83 3HB ALA 83 -17.792 -1.758 7.459 627 H LEU 84 H LEU 84 -16.045 -4.547 6.069 628 HA LEU 84 HA LEU 84 -16.019 -6.530 5.074 629 HB2 LEU 84 1HB LEU 84 -18.930 -5.892 4.578 630 HB3 LEU 84 2HB LEU 84 -18.206 -7.488 4.592 631 HG LEU 84 HG LEU 84 -18.742 -5.632 6.897 632 HD11 LEU 84 1HD1 LEU 84 -20.500 -7.183 6.348 633 HD12 LEU 84 2HD1 LEU 84 -19.358 -8.547 6.349 634 HD13 LEU 84 3HD1 LEU 84 -19.728 -7.695 7.867 635 HD21 LEU 84 1HD2 LEU 84 -16.537 -6.125 7.435 636 HD22 LEU 84 2HD2 LEU 84 -17.450 -7.398 8.280 637 HD23 LEU 84 3HD2 LEU 84 -16.625 -7.764 6.746 638 H THR 85 H THR 85 -14.746 -4.857 3.441 639 HA THR 85 HA THR 85 -15.713 -5.684 0.797 640 HB THR 85 HB THR 85 -14.947 -2.889 1.759 641 HG1 THR 85 1HG THR 85 -17.043 -2.640 0.469 642 HG21 THR 85 1HG2 THR 85 -15.512 -3.645 -1.135 643 HG22 THR 85 2HG2 THR 85 -14.809 -2.138 -0.501 644 HG23 THR 85 3HG2 THR 85 -13.842 -3.632 -0.518 645 H THR 86 H THR 86 -14.088 -6.048 -0.774 646 HA THR 86 HA THR 86 -11.540 -6.716 0.465 647 HB THR 86 HB THR 86 -12.683 -7.280 -2.323 648 HG1 THR 86 1HG THR 86 -13.817 -8.110 -0.310 649 HG21 THR 86 1HG2 THR 86 -10.143 -7.572 -1.982 650 HG22 THR 86 2HG2 THR 86 -10.542 -8.777 -0.734 651 HG23 THR 86 3HG2 THR 86 -11.025 -9.054 -2.424 652 H TYR 87 H TYR 87 -9.741 -5.532 0.323 653 HA TYR 87 HA TYR 87 -9.636 -3.551 -1.847 654 HB2 TYR 87 1HB TYR 87 -9.221 -3.430 1.172 655 HB3 TYR 87 2HB TYR 87 -8.233 -2.378 0.178 656 HD1 TYR 87 1HD TYR 87 -11.669 -3.113 1.297 657 HD2 TYR 87 2HD TYR 87 -9.191 -0.464 -0.972 658 HE1 TYR 87 1HE TYR 87 -13.555 -1.410 1.212 659 HE2 TYR 87 2HE TYR 87 -11.086 1.230 -1.050 660 HH TYR 87 HH TYR 87 -13.205 1.575 -0.656 661 H THR 88 H THR 88 -7.488 -3.006 -2.597 662 HA THR 88 HA THR 88 -5.442 -4.948 -1.745 663 HB THR 88 HB THR 88 -6.660 -4.383 -4.404 664 HG1 THR 88 1HG THR 88 -4.841 -6.389 -3.272 665 HG21 THR 88 1HG2 THR 88 -4.610 -4.689 -5.672 666 HG22 THR 88 2HG2 THR 88 -4.321 -3.310 -4.584 667 HG23 THR 88 3HG2 THR 88 -3.657 -4.912 -4.185 668 H ILE 89 H ILE 89 -3.814 -3.962 -0.745 669 HA ILE 89 HA ILE 89 -3.347 -1.157 -1.394 670 HB ILE 89 HB ILE 89 -2.048 -2.707 0.825 671 HG12 ILE 89 1HG1 ILE 89 -4.371 -3.201 1.126 672 HG13 ILE 89 2HG1 ILE 89 -3.915 -1.979 2.297 673 HG21 ILE 89 1HG2 ILE 89 -1.328 -0.721 1.562 674 HG22 ILE 89 2HG2 ILE 89 -1.695 -0.144 -0.081 675 HG23 ILE 89 3HG2 ILE 89 -2.881 0.080 1.227 676 HD11 ILE 89 1HD1 ILE 89 -6.122 -1.740 0.772 677 HD12 ILE 89 2HD1 ILE 89 -5.177 -0.320 1.282 678 HD13 ILE 89 3HD1 ILE 89 -4.952 -1.000 -0.347 679 H GLU 90 H GLU 90 -1.788 -0.613 -2.814 680 HA GLU 90 HA GLU 90 0.215 -2.648 -3.355 681 HB2 GLU 90 1HB GLU 90 -0.438 -0.183 -5.022 682 HB3 GLU 90 2HB GLU 90 0.538 -1.555 -5.509 683 HG2 GLU 90 1HG GLU 90 -1.307 -2.663 -6.216 684 HG3 GLU 90 2HG GLU 90 -2.015 -2.565 -4.616 685 H VAL 91 H VAL 91 2.184 -2.379 -2.406 686 HA VAL 91 HA VAL 91 2.964 0.374 -1.742 687 HB VAL 91 HB VAL 91 3.664 -2.281 -0.479 688 HG11 VAL 91 1HG1 VAL 91 5.368 -1.356 0.680 689 HG12 VAL 91 2HG1 VAL 91 5.400 -0.184 -0.660 690 HG13 VAL 91 3HG1 VAL 91 4.542 0.212 0.849 691 HG21 VAL 91 1HG2 VAL 91 1.479 -1.546 0.191 692 HG22 VAL 91 2HG2 VAL 91 2.599 -1.220 1.536 693 HG23 VAL 91 3HG2 VAL 91 2.063 0.110 0.482 694 H ALA 92 H ALA 92 4.570 1.239 -2.945 695 HA ALA 92 HA ALA 92 6.430 -0.653 -4.214 696 HB1 ALA 92 1HB ALA 92 4.647 1.347 -5.373 697 HB2 ALA 92 2HB ALA 92 6.348 1.671 -5.788 698 HB3 ALA 92 3HB ALA 92 5.621 0.094 -6.178 699 H ALA 93 H ALA 93 8.591 0.378 -4.722 700 HA ALA 93 HA ALA 93 9.278 2.180 -2.517 701 HB1 ALA 93 1HB ALA 93 10.782 0.098 -4.120 702 HB2 ALA 93 2HB ALA 93 11.645 1.339 -3.180 703 HB3 ALA 93 3HB ALA 93 10.550 0.201 -2.358 704 H MET 94 H MET 94 11.191 3.714 -3.091 705 HA MET 94 HA MET 94 10.956 4.603 -5.843 706 HB2 MET 94 1HB MET 94 10.686 6.382 -3.355 707 HB3 MET 94 2HB MET 94 10.753 6.984 -4.999 708 HG2 MET 94 1HG MET 94 8.662 5.797 -5.570 709 HG3 MET 94 2HG MET 94 8.621 5.039 -3.991 710 HE1 MET 94 1HE MET 94 8.127 8.884 -5.691 711 HE2 MET 94 2HE MET 94 7.418 7.319 -6.156 712 HE3 MET 94 3HE MET 94 6.459 8.486 -5.214 713 H THR 95 H THR 95 12.929 5.122 -6.728 714 HA THR 95 HA THR 95 15.132 5.606 -4.832 715 HB THR 95 HB THR 95 16.466 4.391 -6.771 716 HG1 THR 95 1HG THR 95 15.068 3.516 -8.254 717 HG21 THR 95 1HG2 THR 95 16.218 3.257 -4.606 718 HG22 THR 95 2HG2 THR 95 14.503 2.918 -4.939 719 HG23 THR 95 3HG2 THR 95 15.772 2.103 -5.886 720 H SER 96 H SER 96 17.116 6.189 -6.721 721 HA SER 96 HA SER 96 16.475 8.860 -7.197 722 HB2 SER 96 1HB SER 96 18.711 9.078 -7.625 723 HB3 SER 96 2HB SER 96 18.794 7.456 -6.965 724 HG SER 96 HG SER 96 19.263 8.333 -9.556 725 H LYS 97 H LYS 97 15.983 5.910 -9.009 726 HA LYS 97 HA LYS 97 15.823 7.260 -11.555 727 HB2 LYS 97 1HB LYS 97 15.536 4.411 -10.619 728 HB3 LYS 97 2HB LYS 97 14.998 4.881 -12.218 729 HG2 LYS 97 1HG LYS 97 17.743 5.774 -11.346 730 HG3 LYS 97 2HG LYS 97 17.527 4.082 -11.749 731 HD2 LYS 97 1HD LYS 97 18.203 5.220 -13.778 732 HD3 LYS 97 2HD LYS 97 16.515 4.789 -13.965 733 HE2 LYS 97 1HE LYS 97 15.776 7.042 -13.543 734 HE3 LYS 97 2HE LYS 97 17.331 7.518 -12.891 735 HZ1 LYS 97 1HZ LYS 97 16.584 7.078 -15.664 736 HZ2 LYS 97 2HZ LYS 97 17.434 8.307 -15.005 737 HZ3 LYS 97 3HZ LYS 97 18.143 6.853 -15.229 738 H GLY 98 H GLY 98 13.587 5.568 -9.253 739 HA2 GLY 98 1HA GLY 98 11.541 7.355 -9.286 740 HA3 GLY 98 2HA GLY 98 11.262 6.404 -10.731 741 H GLN 99 H GLN 99 9.522 5.115 -10.177 742 HA GLN 99 HA GLN 99 9.613 3.809 -7.603 743 HB2 GLN 99 1HB GLN 99 7.515 4.928 -8.353 744 HB3 GLN 99 2HB GLN 99 7.431 3.854 -9.735 745 HG2 GLN 99 1HG GLN 99 7.658 1.987 -7.765 746 HG3 GLN 99 2HG GLN 99 6.905 3.269 -6.838 747 HE21 GLN 99 1HE2 GLN 99 4.796 3.467 -6.900 748 HE22 GLN 99 2HE2 GLN 99 3.716 2.773 -8.063 749 H GLY 100 H GLY 100 9.714 1.540 -7.321 750 HA2 GLY 100 1HA GLY 100 10.326 0.014 -9.783 751 HA3 GLY 100 2HA GLY 100 11.190 -0.188 -8.272 752 H GLN 101 H GLN 101 9.031 -1.736 -10.139 753 HA GLN 101 HA GLN 101 7.254 -3.007 -9.847 754 HB2 GLN 101 1HB GLN 101 9.463 -4.035 -8.571 755 HB3 GLN 101 2HB GLN 101 8.285 -4.103 -7.275 756 HG2 GLN 101 1HG GLN 101 7.085 -5.772 -8.283 757 HG3 GLN 101 2HG GLN 101 7.185 -5.022 -9.864 758 HE21 GLN 101 1HE2 GLN 101 7.745 -7.775 -8.541 759 HE22 GLN 101 2HE2 GLN 101 9.235 -8.294 -9.257 760 H VAL 102 H VAL 102 6.150 -4.160 -7.369 761 HA VAL 102 HA VAL 102 5.486 -2.211 -5.502 762 HB VAL 102 HB VAL 102 4.370 -1.480 -7.817 763 HG11 VAL 102 1HG1 VAL 102 2.342 -2.392 -8.328 764 HG12 VAL 102 2HG1 VAL 102 3.090 -3.825 -7.584 765 HG13 VAL 102 3HG1 VAL 102 1.976 -2.811 -6.637 766 HG21 VAL 102 1HG2 VAL 102 4.068 -0.841 -5.095 767 HG22 VAL 102 2HG2 VAL 102 3.556 0.127 -6.498 768 HG23 VAL 102 3HG2 VAL 102 2.414 -1.002 -5.732 769 H SER 103 H SER 103 4.182 -3.107 -3.833 770 HA SER 103 HA SER 103 3.667 -5.942 -4.270 771 HB2 SER 103 1HB SER 103 4.537 -4.348 -1.852 772 HB3 SER 103 2HB SER 103 3.680 -5.857 -1.614 773 HG SER 103 HG SER 103 6.216 -5.424 -2.914 774 H ALA 104 H ALA 104 1.506 -6.156 -4.803 775 HA ALA 104 HA ALA 104 -0.402 -4.511 -3.301 776 HB1 ALA 104 1HB ALA 104 -1.644 -4.414 -5.203 777 HB2 ALA 104 2HB ALA 104 -0.120 -4.864 -6.004 778 HB3 ALA 104 3HB ALA 104 -1.325 -6.116 -5.618 779 H SER 105 H SER 105 -1.441 -5.473 -1.635 780 HA SER 105 HA SER 105 -1.762 -8.366 -1.834 781 HB2 SER 105 1HB SER 105 -0.512 -6.748 0.242 782 HB3 SER 105 2HB SER 105 -1.879 -7.617 0.911 783 HG SER 105 HG SER 105 -0.551 -9.291 0.995 784 H THR 106 H THR 106 -3.859 -9.130 -1.581 785 HA THR 106 HA THR 106 -5.948 -7.166 -1.389 786 HB THR 106 HB THR 106 -6.381 -10.163 -1.365 787 HG1 THR 106 1HG THR 106 -5.747 -10.072 -3.650 788 HG21 THR 106 1HG2 THR 106 -7.832 -9.297 -3.414 789 HG22 THR 106 2HG2 THR 106 -8.423 -9.021 -1.759 790 HG23 THR 106 3HG2 THR 106 -7.621 -7.705 -2.648 791 H ILE 107 H ILE 107 -7.321 -6.716 0.273 792 HA ILE 107 HA ILE 107 -7.216 -8.406 2.623 793 HB ILE 107 HB ILE 107 -5.416 -7.007 3.165 794 HG12 ILE 107 1HG1 ILE 107 -6.388 -5.535 5.011 795 HG13 ILE 107 2HG1 ILE 107 -7.973 -6.051 4.468 796 HG21 ILE 107 1HG2 ILE 107 -5.206 -5.201 1.839 797 HG22 ILE 107 2HG2 ILE 107 -6.963 -4.941 1.726 798 HG23 ILE 107 3HG2 ILE 107 -6.070 -4.377 3.159 799 HD11 ILE 107 1HD1 ILE 107 -5.847 -8.134 5.022 800 HD12 ILE 107 2HD1 ILE 107 -6.751 -7.407 6.371 801 HD13 ILE 107 3HD1 ILE 107 -7.618 -8.293 5.094 802 H SER 108 H SER 108 -9.202 -8.535 3.591 803 HA SER 108 HA SER 108 -11.221 -6.810 2.419 804 HB2 SER 108 1HB SER 108 -11.987 -8.981 2.113 805 HB3 SER 108 2HB SER 108 -11.198 -9.585 3.555 806 HG SER 108 HG SER 108 -12.853 -8.819 4.847 807 H SER 109 H SER 109 -11.937 -5.099 3.632 808 HA SER 109 HA SER 109 -11.054 -4.335 5.985 809 HB2 SER 109 1HB SER 109 -13.245 -3.121 6.306 810 HB3 SER 109 2HB SER 109 -12.549 -2.931 4.709 811 HG SER 109 HG SER 109 -14.881 -3.418 4.722 812 H GLY 110 H GLY 110 -11.751 -4.465 8.248 813 HA2 GLY 110 1HA GLY 110 -12.332 -7.074 9.113 814 HA3 GLY 110 2HA GLY 110 -12.326 -5.618 10.090 815 H VAL 111 H VAL 111 -14.280 -4.484 10.522 816 HA VAL 111 HA VAL 111 -16.678 -4.981 9.177 817 HB VAL 111 HB VAL 111 -16.534 -7.200 10.108 818 HG11 VAL 111 1HG1 VAL 111 -16.493 -7.602 12.539 819 HG12 VAL 111 2HG1 VAL 111 -15.027 -6.757 11.985 820 HG13 VAL 111 3HG1 VAL 111 -16.313 -5.853 12.822 821 HG21 VAL 111 1HG2 VAL 111 -18.629 -7.152 11.572 822 HG22 VAL 111 2HG2 VAL 111 -18.589 -5.382 11.384 823 HG23 VAL 111 3HG2 VAL 111 -18.763 -6.426 9.953 824 HA PRO 112 HA PRO 112 -17.394 -1.404 11.505 825 HB2 PRO 112 1HB PRO 112 -20.014 -0.945 10.876 826 HB3 PRO 112 2HB PRO 112 -18.683 -0.494 9.828 827 HG2 PRO 112 1HG PRO 112 -20.582 -2.743 9.550 828 HG3 PRO 112 2HG PRO 112 -19.542 -2.027 8.334 829 HD2 PRO 112 1HD PRO 112 -19.117 -4.507 9.711 830 HD3 PRO 112 2HD PRO 112 -18.022 -3.734 8.582 831 HA PRO 113 HA PRO 113 -18.933 -2.906 15.204 832 HB2 PRO 113 1HB PRO 113 -18.139 -0.853 16.825 833 HB3 PRO 113 2HB PRO 113 -17.095 -2.193 16.394 834 HG2 PRO 113 1HG PRO 113 -17.053 0.588 15.391 835 HG3 PRO 113 2HG PRO 113 -15.794 -0.628 15.308 836 HD2 PRO 113 1HD PRO 113 -17.517 0.206 13.173 837 HD3 PRO 113 2HD PRO 113 -16.338 -1.089 13.123 838 H SER 114 H SER 114 -19.793 0.019 13.683 839 HA SER 114 HA SER 114 -21.970 0.392 15.533 840 HB2 SER 114 1HB SER 114 -20.523 2.036 13.577 841 HB3 SER 114 2HB SER 114 -22.258 2.218 13.406 842 HG SER 114 HG SER 114 -21.149 2.296 16.040 843 H GLY 115 H GLY 115 -23.324 -1.436 15.112 844 HA2 GLY 115 1HA GLY 115 -25.430 -1.401 13.604 845 HA3 GLY 115 2HA GLY 115 -24.266 -1.778 12.349 846 HA PRO 116 HA PRO 116 -25.528 -5.698 14.320 847 HB2 PRO 116 1HB PRO 116 -26.637 -6.911 12.137 848 HB3 PRO 116 2HB PRO 116 -27.578 -6.037 13.329 849 HG2 PRO 116 1HG PRO 116 -26.818 -5.205 10.596 850 HG3 PRO 116 2HG PRO 116 -28.081 -4.564 11.628 851 HD2 PRO 116 1HD PRO 116 -25.528 -3.370 11.097 852 HD3 PRO 116 2HD PRO 116 -26.744 -2.789 12.217 853 H SER 117 H SER 117 -24.788 -7.953 13.966 854 HA SER 117 HA SER 117 -22.787 -8.126 11.926 855 HB2 SER 117 1HB SER 117 -21.670 -7.041 13.959 856 HB3 SER 117 2HB SER 117 -21.967 -8.531 14.832 857 HG SER 117 HG SER 117 -20.500 -9.622 13.597 858 H SER 118 H SER 118 -21.652 -10.458 12.199 859 HA SER 118 HA SER 118 -21.918 -12.610 12.148 860 HB2 SER 118 1HB SER 118 -23.618 -12.036 14.604 861 HB3 SER 118 2HB SER 118 -23.315 -13.672 14.053 862 HG SER 118 HG SER 118 -21.221 -11.761 14.644 863 H GLY 119 H GLY 119 -23.430 -14.411 11.525 864 HA2 GLY 119 1HA GLY 119 -26.120 -13.479 10.770 865 HA3 GLY 119 2HA GLY 119 -25.052 -14.144 9.550
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