NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
28452 | 2yux | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -10.030 -5.715 28.483 2 HA2 GLY 1 1HA GLY 1 -12.239 -6.146 30.398 3 HA3 GLY 1 2HA GLY 1 -12.544 -5.864 28.696 4 H SER 2 H SER 2 -13.620 -8.105 29.101 5 HA SER 2 HA SER 2 -11.863 -10.019 27.974 6 HB3 SER 2 2HB SER 2 -13.095 -11.239 30.360 7 HG SER 2 HG SER 2 -11.035 -12.198 30.516 8 H SER 3 H SER 3 -13.080 -11.298 26.596 9 HA SER 3 HA SER 3 -15.685 -12.099 27.284 10 HB3 SER 3 2HB SER 3 -16.702 -10.933 25.170 11 HG SER 3 HG SER 3 -16.792 -10.315 27.688 12 H GLY 4 H GLY 4 -16.703 -13.344 25.335 13 HA2 GLY 4 1HA GLY 4 -14.705 -14.171 23.357 14 HA3 GLY 4 2HA GLY 4 -15.337 -15.387 24.450 15 H SER 5 H SER 5 -16.085 -16.340 22.297 16 HA SER 5 HA SER 5 -18.810 -15.988 22.073 17 HB3 SER 5 2HB SER 5 -18.160 -13.844 20.946 18 HG SER 5 HG SER 5 -16.936 -15.668 19.060 19 H SER 6 H SER 6 -19.459 -18.023 21.475 20 HA SER 6 HA SER 6 -18.362 -19.279 19.220 21 HB3 SER 6 2HB SER 6 -17.812 -21.307 21.107 22 HG SER 6 HG SER 6 -16.644 -20.548 19.054 23 H GLY 7 H GLY 7 -19.945 -20.646 18.407 24 HA2 GLY 7 1HA GLY 7 -21.473 -22.503 19.461 25 HA3 GLY 7 2HA GLY 7 -22.288 -21.092 20.104 26 H ALA 8 H ALA 8 -22.261 -23.270 17.553 27 HA ALA 8 HA ALA 8 -24.234 -21.905 16.127 28 HB1 ALA 8 3HB ALA 8 -22.760 -20.412 15.141 29 HB2 ALA 8 1HB ALA 8 -21.397 -21.555 15.192 30 HB3 ALA 8 2HB ALA 8 -22.682 -21.756 13.976 31 H SER 9 H SER 9 -25.083 -23.243 14.383 32 HA SER 9 HA SER 9 -23.764 -25.805 14.114 33 HB3 SER 9 2HB SER 9 -26.706 -25.504 14.865 34 HG SER 9 HG SER 9 -25.048 -27.855 14.508 35 H ILE 10 H ILE 10 -23.364 -24.401 12.048 36 HA ILE 10 HA ILE 10 -25.154 -25.348 10.049 37 HB ILE 10 HB ILE 10 -26.435 -23.428 10.838 38 HG13 ILE 10 2HG1 ILE 10 -26.231 -24.170 8.367 39 HG21 ILE 10 1HG2 ILE 10 -24.066 -21.728 10.015 40 HG22 ILE 10 2HG2 ILE 10 -25.627 -21.162 10.656 41 HG23 ILE 10 3HG2 ILE 10 -24.527 -22.099 11.694 42 HD11 ILE 10 3HD1 ILE 10 -28.028 -22.818 7.976 43 HD12 ILE 10 1HD1 ILE 10 -27.807 -22.298 9.664 44 HD13 ILE 10 2HD1 ILE 10 -27.106 -21.339 8.339 45 H ASP 11 H ASP 11 -24.184 -25.285 7.967 46 HA ASP 11 HA ASP 11 -21.455 -24.260 8.037 47 HB3 ASP 11 2HB ASP 11 -20.934 -26.152 6.403 48 H ILE 12 H ILE 12 -22.158 -22.275 6.958 49 HA ILE 12 HA ILE 12 -23.746 -22.401 4.602 50 HB ILE 12 HB ILE 12 -22.148 -20.206 5.912 51 HG13 ILE 12 2HG1 ILE 12 -24.115 -21.086 7.156 52 HG21 ILE 12 1HG2 ILE 12 -24.143 -19.851 3.668 53 HG22 ILE 12 2HG2 ILE 12 -23.067 -18.635 4.397 54 HG23 ILE 12 3HG2 ILE 12 -22.385 -19.946 3.406 55 HD11 ILE 12 3HD1 ILE 12 -25.307 -18.554 6.498 56 HD12 ILE 12 1HD1 ILE 12 -24.292 -18.960 7.903 57 HD13 ILE 12 2HD1 ILE 12 -23.540 -18.367 6.403 58 H GLN 13 H GLN 13 -22.610 -23.971 3.296 59 HA GLN 13 HA GLN 13 -20.027 -23.028 2.356 60 HB3 GLN 13 2HB GLN 13 -20.321 -25.478 1.184 61 HG3 GLN 13 2HG GLN 13 -19.304 -24.647 3.916 62 HE21 GLN 13 1HE2 GLN 13 -18.598 -27.321 1.700 63 HE22 GLN 13 2HE2 GLN 13 -18.716 -28.609 2.852 64 H ILE 14 H ILE 14 -20.761 -21.344 0.945 65 HA ILE 14 HA ILE 14 -22.225 -22.359 -1.392 66 HB ILE 14 HB ILE 14 -22.302 -19.482 -0.585 67 HG13 ILE 14 2HG1 ILE 14 -22.874 -20.717 1.464 68 HG21 ILE 14 1HG2 ILE 14 -23.292 -20.875 -2.728 69 HG22 ILE 14 2HG2 ILE 14 -24.697 -20.817 -1.636 70 HG23 ILE 14 3HG2 ILE 14 -23.899 -19.308 -2.142 71 HD11 ILE 14 3HD1 ILE 14 -25.600 -19.986 0.869 72 HD12 ILE 14 1HD1 ILE 14 -24.399 -19.088 1.829 73 HD13 ILE 14 2HD1 ILE 14 -24.517 -18.820 0.073 74 H ILE 15 H ILE 15 -20.492 -22.872 -2.711 75 HA ILE 15 HA ILE 15 -18.174 -21.277 -2.841 76 HB ILE 15 HB ILE 15 -17.669 -22.654 -4.831 77 HG13 ILE 15 2HG1 ILE 15 -20.547 -23.279 -4.604 78 HG21 ILE 15 1HG2 ILE 15 -17.322 -24.680 -3.633 79 HG22 ILE 15 2HG2 ILE 15 -17.192 -23.348 -2.460 80 HG23 ILE 15 3HG2 ILE 15 -18.671 -24.336 -2.525 81 HD11 ILE 15 3HD1 ILE 15 -18.970 -22.240 -6.542 82 HD12 ILE 15 1HD1 ILE 15 -18.825 -23.964 -6.961 83 HD13 ILE 15 2HD1 ILE 15 -20.429 -23.191 -6.911 84 H ASP 16 H ASP 16 -17.471 -19.799 -4.464 85 HA ASP 16 HA ASP 16 -18.919 -19.119 -6.673 86 HB3 ASP 16 2HB ASP 16 -19.347 -16.919 -4.664 87 H ARG 17 H ARG 17 -18.015 -17.021 -7.654 88 HA ARG 17 HA ARG 17 -15.369 -16.866 -7.502 89 HB3 ARG 17 2HB ARG 17 -15.869 -14.271 -8.138 90 HG3 ARG 17 2HG ARG 17 -16.679 -16.700 -9.806 91 HD3 ARG 17 2HD ARG 17 -17.275 -14.075 -10.417 92 HE ARG 17 HE ARG 17 -14.494 -14.149 -10.745 93 HH11 ARG 17 2HH2 ARG 17 -17.273 -13.608 -12.834 94 HH12 ARG 17 1HH2 ARG 17 -16.412 -12.572 -13.925 95 HH21 ARG 17 2HH1 ARG 17 -13.359 -12.784 -12.184 96 HH22 ARG 17 1HH1 ARG 17 -14.171 -12.101 -13.552 97 HA PRO 18 HA PRO 18 -14.505 -14.919 -3.682 98 HB3 PRO 18 2HB PRO 18 -12.477 -15.996 -3.510 99 HG3 PRO 18 2HG PRO 18 -11.648 -16.813 -5.501 100 HD3 PRO 18 2HD PRO 18 -13.601 -17.031 -6.696 101 H GLY 19 H GLY 19 -14.587 -12.947 -2.698 102 HA2 GLY 19 1HA GLY 19 -14.947 -10.749 -4.508 103 HA3 GLY 19 2HA GLY 19 -15.060 -10.730 -2.759 104 HA PRO 20 HA PRO 20 -11.097 -8.787 -4.066 105 HB3 PRO 20 2HB PRO 20 -11.788 -6.848 -5.099 106 HG3 PRO 20 2HG PRO 20 -14.046 -6.411 -4.914 107 HD3 PRO 20 2HD PRO 20 -14.846 -8.538 -4.565 108 HA PRO 21 HA PRO 21 -9.535 -8.489 -0.130 109 HB3 PRO 21 2HB PRO 21 -7.343 -8.372 -0.823 110 HG3 PRO 21 2HG PRO 21 -7.047 -7.506 -2.941 111 HD3 PRO 21 2HD PRO 21 -9.104 -7.963 -3.859 112 H GLN 22 H GLN 22 -9.631 -7.533 1.916 113 HA GLN 22 HA GLN 22 -11.623 -5.798 2.275 114 HB3 GLN 22 2HB GLN 22 -10.015 -5.079 4.369 115 HG3 GLN 22 2HG GLN 22 -10.890 -7.909 4.538 116 HE21 GLN 22 1HE2 GLN 22 -9.501 -6.664 6.341 117 HE22 GLN 22 2HE2 GLN 22 -10.443 -6.062 7.663 118 H ILE 23 H ILE 23 -8.141 -4.962 1.752 119 HA ILE 23 HA ILE 23 -8.891 -2.492 0.554 120 HB ILE 23 HB ILE 23 -8.989 -2.187 3.139 121 HG13 ILE 23 2HG1 ILE 23 -8.985 0.008 2.682 122 HG21 ILE 23 1HG2 ILE 23 -6.782 -1.406 4.041 123 HG22 ILE 23 2HG2 ILE 23 -6.904 -3.161 3.769 124 HG23 ILE 23 3HG2 ILE 23 -6.008 -2.142 2.617 125 HD11 ILE 23 3HD1 ILE 23 -6.219 -0.425 1.473 126 HD12 ILE 23 1HD1 ILE 23 -7.049 1.149 1.483 127 HD13 ILE 23 2HD1 ILE 23 -6.613 0.363 3.019 128 H VAL 24 H VAL 24 -6.846 -1.271 -0.152 129 HA VAL 24 HA VAL 24 -4.527 -3.032 -0.269 130 HB VAL 24 HB VAL 24 -5.933 -1.868 -2.682 131 HG11 VAL 24 1HG1 VAL 24 -3.423 -3.573 -2.613 132 HG12 VAL 24 2HG1 VAL 24 -4.187 -2.819 -4.034 133 HG13 VAL 24 3HG1 VAL 24 -3.426 -1.801 -2.789 134 HG21 VAL 24 3HG2 VAL 24 -6.981 -3.916 -1.693 135 HG22 VAL 24 1HG2 VAL 24 -6.367 -4.144 -3.349 136 HG23 VAL 24 2HG2 VAL 24 -5.446 -4.777 -1.964 137 H LYS 25 H LYS 25 -2.796 -1.863 0.363 138 HA LYS 25 HA LYS 25 -2.818 0.994 -0.313 139 HB3 LYS 25 2HB LYS 25 -1.393 1.012 1.965 140 HG3 LYS 25 2HG LYS 25 -4.378 0.960 2.316 141 HD3 LYS 25 2HD LYS 25 -3.571 3.441 3.017 142 HE3 LYS 25 2HE LYS 25 -3.943 0.910 4.396 143 HZ1 LYS 25 3HZ LYS 25 -1.984 2.741 5.597 144 HZ2 LYS 25 1HZ LYS 25 -2.622 1.415 6.303 145 HZ3 LYS 25 2HZ LYS 25 -1.632 1.258 5.014 146 H ILE 26 H ILE 26 -0.395 1.855 0.080 147 HA ILE 26 HA ILE 26 1.353 -0.139 -1.186 148 HB ILE 26 HB ILE 26 1.104 2.824 -1.694 149 HG13 ILE 26 2HG1 ILE 26 -0.207 0.640 -2.843 150 HG21 ILE 26 1HG2 ILE 26 3.491 1.503 -1.631 151 HG22 ILE 26 2HG2 ILE 26 3.006 1.279 -3.329 152 HG23 ILE 26 3HG2 ILE 26 3.132 2.919 -2.648 153 HD11 ILE 26 3HD1 ILE 26 0.337 3.491 -3.766 154 HD12 ILE 26 1HD1 ILE 26 -0.766 2.398 -4.634 155 HD13 ILE 26 2HD1 ILE 26 -1.116 2.862 -2.953 156 H GLU 27 H GLU 27 2.747 -0.862 0.337 157 HA GLU 27 HA GLU 27 3.256 0.265 2.714 158 HB3 GLU 27 2HB GLU 27 5.712 -0.934 1.752 159 HG3 GLU 27 2HG GLU 27 4.432 -2.899 3.155 160 H ASP 28 H ASP 28 5.038 0.852 -0.382 161 HA ASP 28 HA ASP 28 5.503 3.479 0.118 162 HB3 ASP 28 2HB ASP 28 8.175 2.198 0.495 163 H VAL 29 H VAL 29 7.764 4.113 -1.263 164 HA VAL 29 HA VAL 29 8.161 2.208 -3.410 165 HB VAL 29 HB VAL 29 6.294 3.302 -4.303 166 HG11 VAL 29 1HG1 VAL 29 7.474 6.015 -3.646 167 HG12 VAL 29 2HG1 VAL 29 5.837 5.641 -4.236 168 HG13 VAL 29 3HG1 VAL 29 6.320 5.167 -2.589 169 HG21 VAL 29 3HG2 VAL 29 7.161 4.523 -6.225 170 HG22 VAL 29 1HG2 VAL 29 8.705 4.799 -5.385 171 HG23 VAL 29 2HG2 VAL 29 8.225 3.148 -5.846 172 H TRP 30 H TRP 30 10.296 2.159 -3.907 173 HA TRP 30 HA TRP 30 11.831 4.616 -3.482 174 HB3 TRP 30 2HB TRP 30 12.138 3.341 -1.459 175 HD1 TRP 30 HD TRP 30 14.612 1.014 -3.139 176 HE1 TRP 30 1HE TRP 30 14.013 -1.526 -2.753 177 HE3 TRP 30 3HE TRP 30 9.989 1.858 -1.199 178 HZ2 TRP 30 2HZ TRP 30 11.723 -2.868 -1.704 179 HZ3 TRP 30 3HZ TRP 30 8.636 -0.122 -0.518 180 HH2 TRP 30 HH TRP 30 9.434 -2.422 -0.744 181 H GLY 31 H GLY 31 13.908 4.550 -4.740 182 HA2 GLY 31 1HA GLY 31 14.783 4.397 -6.831 183 HA3 GLY 31 2HA GLY 31 14.885 2.703 -6.397 184 H GLU 32 H GLU 32 14.058 1.343 -7.916 185 HA GLU 32 HA GLU 32 11.804 2.371 -9.457 186 HB3 GLU 32 2HB GLU 32 12.611 0.706 -11.235 187 HG3 GLU 32 2HG GLU 32 14.661 2.838 -10.486 188 H ASN 33 H ASN 33 11.328 1.207 -6.943 189 HA ASN 33 HA ASN 33 9.990 -1.206 -7.811 190 HB3 ASN 33 2HB ASN 33 11.816 -2.241 -6.695 191 HD21 ASN 33 1HD2 ASN 33 13.748 -1.691 -6.074 192 HD22 ASN 33 2HD2 ASN 33 14.180 -0.507 -4.885 193 H VAL 34 H VAL 34 7.981 -1.556 -6.616 194 HA VAL 34 HA VAL 34 7.311 0.628 -4.766 195 HB VAL 34 HB VAL 34 5.953 -0.431 -7.169 196 HG11 VAL 34 1HG1 VAL 34 4.424 -1.275 -5.480 197 HG12 VAL 34 2HG1 VAL 34 4.399 0.308 -4.667 198 HG13 VAL 34 3HG1 VAL 34 3.699 0.132 -6.295 199 HG21 VAL 34 3HG2 VAL 34 6.974 1.903 -6.779 200 HG22 VAL 34 1HG2 VAL 34 5.356 1.814 -7.514 201 HG23 VAL 34 2HG2 VAL 34 5.530 2.222 -5.791 202 H ALA 35 H ALA 35 6.051 0.070 -2.926 203 HA ALA 35 HA ALA 35 5.990 -2.826 -2.431 204 HB1 ALA 35 3HB ALA 35 6.001 -2.002 0.018 205 HB2 ALA 35 1HB ALA 35 7.513 -1.842 -0.906 206 HB3 ALA 35 2HB ALA 35 6.473 -0.421 -0.650 207 H LEU 36 H LEU 36 3.987 -3.699 -2.500 208 HA LEU 36 HA LEU 36 1.734 -1.890 -2.030 209 HB3 LEU 36 2HB LEU 36 0.525 -3.988 -3.044 210 HG LEU 36 HG LEU 36 2.047 -1.864 -4.499 211 HD11 LEU 36 1HD1 LEU 36 1.879 -2.740 -6.588 212 HD12 LEU 36 2HD1 LEU 36 2.096 -4.255 -5.681 213 HD13 LEU 36 3HD1 LEU 36 0.466 -3.744 -6.182 214 HD21 LEU 36 3HD2 LEU 36 -0.673 -2.173 -5.315 215 HD22 LEU 36 1HD2 LEU 36 -0.601 -2.251 -3.538 216 HD23 LEU 36 2HD2 LEU 36 0.081 -0.847 -4.396 217 H THR 37 H THR 37 -0.063 -2.635 -0.686 218 HA THR 37 HA THR 37 0.488 -4.900 1.043 219 HB THR 37 HB THR 37 -0.012 -3.179 3.021 220 HG1 THR 37 1HG THR 37 1.020 -1.699 0.712 221 HG21 THR 37 3HG2 THR 37 2.709 -2.649 1.872 222 HG22 THR 37 1HG2 THR 37 2.259 -3.175 3.511 223 HG23 THR 37 2HG2 THR 37 2.315 -4.357 2.182 224 H TRP 38 H TRP 38 -1.313 -6.062 0.748 225 HA TRP 38 HA TRP 38 -3.846 -4.568 0.836 226 HB3 TRP 38 2HB TRP 38 -3.486 -5.509 -1.352 227 HD1 TRP 38 HD TRP 38 -4.438 -8.951 0.036 228 HE1 TRP 38 1HE TRP 38 -2.721 -10.809 -0.715 229 HE3 TRP 38 3HE TRP 38 -1.030 -5.742 -1.952 230 HZ2 TRP 38 2HZ TRP 38 -0.187 -10.731 -2.026 231 HZ3 TRP 38 3HZ TRP 38 1.038 -6.715 -2.947 232 HH2 TRP 38 HH TRP 38 1.486 -9.117 -3.005 233 H THR 39 H THR 39 -5.591 -5.619 2.042 234 HA THR 39 HA THR 39 -4.524 -7.263 4.210 235 HB THR 39 HB THR 39 -6.721 -6.580 5.281 236 HG1 THR 39 1HG THR 39 -7.510 -6.318 2.868 237 HG21 THR 39 3HG2 THR 39 -4.736 -5.051 5.541 238 HG22 THR 39 1HG2 THR 39 -5.189 -4.244 4.021 239 HG23 THR 39 2HG2 THR 39 -6.263 -4.144 5.436 240 HA PRO 40 HA PRO 40 -6.543 -10.834 2.960 241 HB3 PRO 40 2HB PRO 40 -5.586 -12.078 4.645 242 HG3 PRO 40 2HG PRO 40 -4.946 -10.860 6.496 243 HD3 PRO 40 2HD PRO 40 -4.678 -8.784 5.545 244 HA PRO 41 HA PRO 41 -10.767 -10.496 2.778 245 HB3 PRO 41 2HB PRO 41 -10.965 -12.050 1.091 246 HG3 PRO 41 2HG PRO 41 -9.248 -13.586 0.991 247 HD3 PRO 41 2HD PRO 41 -7.575 -12.397 2.030 248 H LYS 42 H LYS 42 -12.855 -10.716 3.782 249 HA LYS 42 HA LYS 42 -12.432 -11.449 6.570 250 HB3 LYS 42 2HB LYS 42 -14.960 -10.363 6.379 251 HG3 LYS 42 2HG LYS 42 -12.553 -8.552 6.597 252 HD3 LYS 42 2HD LYS 42 -13.856 -7.955 8.745 253 HE3 LYS 42 2HE LYS 42 -14.379 -7.273 5.966 254 HZ1 LYS 42 3HZ LYS 42 -16.653 -6.335 7.154 255 HZ2 LYS 42 1HZ LYS 42 -16.563 -7.416 5.934 256 HZ3 LYS 42 2HZ LYS 42 -16.647 -7.934 7.480 257 H ASP 43 H ASP 43 -13.487 -12.853 3.676 258 HA ASP 43 HA ASP 43 -15.621 -14.336 4.874 259 HB3 ASP 43 2HB ASP 43 -14.599 -15.388 2.332 260 H ASP 44 H ASP 44 -12.692 -15.332 2.938 261 HA ASP 44 HA ASP 44 -11.512 -17.178 3.004 262 HB3 ASP 44 2HB ASP 44 -11.396 -16.584 5.997 263 H GLY 45 H GLY 45 -13.948 -18.191 2.797 264 HA2 GLY 45 1HA GLY 45 -13.970 -20.493 4.556 265 HA3 GLY 45 2HA GLY 45 -15.347 -19.425 4.727 266 H ASN 46 H ASN 46 -13.417 -21.234 2.252 267 HA ASN 46 HA ASN 46 -15.635 -22.429 1.161 268 HB3 ASN 46 2HB ASN 46 -14.590 -20.247 -0.698 269 HD21 ASN 46 1HD2 ASN 46 -17.665 -21.693 0.358 270 HD22 ASN 46 2HD2 ASN 46 -18.182 -22.271 -1.191 271 H ALA 47 H ALA 47 -12.737 -20.679 -0.216 272 HA ALA 47 HA ALA 47 -11.492 -23.283 -0.696 273 HB1 ALA 47 3HB ALA 47 -10.792 -22.422 -2.958 274 HB2 ALA 47 1HB ALA 47 -12.542 -22.711 -2.802 275 HB3 ALA 47 2HB ALA 47 -11.905 -21.051 -2.723 276 H ALA 48 H ALA 48 -9.548 -23.286 0.304 277 HA ALA 48 HA ALA 48 -8.427 -21.275 1.668 278 HB1 ALA 48 3HB ALA 48 -7.632 -23.578 1.743 279 HB2 ALA 48 1HB ALA 48 -7.031 -23.460 0.071 280 HB3 ALA 48 2HB ALA 48 -6.267 -22.500 1.362 281 H ILE 49 H ILE 49 -8.058 -19.198 1.062 282 HA ILE 49 HA ILE 49 -7.852 -18.262 -1.479 283 HB ILE 49 HB ILE 49 -6.675 -17.230 1.097 284 HG13 ILE 49 2HG1 ILE 49 -9.322 -17.178 -0.169 285 HG21 ILE 49 1HG2 ILE 49 -5.657 -15.561 0.049 286 HG22 ILE 49 2HG2 ILE 49 -5.978 -16.388 -1.494 287 HG23 ILE 49 3HG2 ILE 49 -7.128 -15.176 -0.878 288 HD11 ILE 49 3HD1 ILE 49 -9.784 -16.320 2.269 289 HD12 ILE 49 1HD1 ILE 49 -9.248 -18.002 2.042 290 HD13 ILE 49 2HD1 ILE 49 -8.085 -16.761 2.565 291 H THR 50 H THR 50 -6.611 -19.432 -2.939 292 HA THR 50 HA THR 50 -4.150 -20.546 -2.506 293 HB THR 50 HB THR 50 -5.610 -19.390 -4.905 294 HG1 THR 50 1HG THR 50 -6.095 -21.559 -4.956 295 HG21 THR 50 3HG2 THR 50 -2.945 -20.893 -5.006 296 HG22 THR 50 1HG2 THR 50 -3.897 -20.308 -6.392 297 HG23 THR 50 2HG2 THR 50 -3.094 -19.146 -5.310 298 H GLY 51 H GLY 51 -4.802 -17.191 -3.720 299 HA2 GLY 51 1HA GLY 51 -2.634 -16.102 -2.270 300 HA3 GLY 51 2HA GLY 51 -2.142 -16.402 -3.924 301 H TYR 52 H TYR 52 -2.010 -14.230 -4.600 302 HA TYR 52 HA TYR 52 -4.561 -13.018 -5.185 303 HB3 TYR 52 2HB TYR 52 -3.820 -10.884 -4.030 304 HD1 TYR 52 2HD TYR 52 -2.483 -13.592 -1.859 305 HD2 TYR 52 1HD TYR 52 -5.825 -11.079 -2.761 306 HE1 TYR 52 2HE TYR 52 -3.630 -14.338 0.283 307 HE2 TYR 52 1HE TYR 52 -6.962 -11.833 -0.617 308 HH TYR 52 HH TYR 52 -5.267 -13.836 1.714 309 H THR 53 H THR 53 -4.426 -12.317 -7.254 310 HA THR 53 HA THR 53 -1.811 -12.044 -8.456 311 HB THR 53 HB THR 53 -4.710 -12.053 -9.392 312 HG1 THR 53 1HG THR 53 -3.524 -13.841 -10.645 313 HG21 THR 53 3HG2 THR 53 -3.421 -10.377 -10.799 314 HG22 THR 53 1HG2 THR 53 -2.214 -11.645 -11.122 315 HG23 THR 53 2HG2 THR 53 -3.884 -11.836 -11.706 316 H ILE 54 H ILE 54 -0.716 -10.220 -8.912 317 HA ILE 54 HA ILE 54 -2.095 -7.723 -8.224 318 HB ILE 54 HB ILE 54 0.813 -8.510 -8.097 319 HG13 ILE 54 2HG1 ILE 54 -1.365 -8.530 -6.200 320 HG21 ILE 54 1HG2 ILE 54 -0.384 -5.884 -8.450 321 HG22 ILE 54 2HG2 ILE 54 0.545 -5.995 -6.936 322 HG23 ILE 54 3HG2 ILE 54 1.324 -6.381 -8.489 323 HD11 ILE 54 3HD1 ILE 54 -0.027 -10.116 -5.252 324 HD12 ILE 54 1HD1 ILE 54 0.954 -9.953 -6.729 325 HD13 ILE 54 2HD1 ILE 54 1.396 -9.046 -5.262 326 H GLN 55 H GLN 55 -1.982 -5.942 -9.648 327 HA GLN 55 HA GLN 55 -0.670 -6.469 -12.177 328 HB3 GLN 55 2HB GLN 55 -2.784 -5.475 -13.313 329 HG3 GLN 55 2HG GLN 55 -2.914 -8.224 -11.983 330 HE21 GLN 55 1HE2 GLN 55 -3.899 -9.766 -13.641 331 HE22 GLN 55 2HE2 GLN 55 -5.393 -9.280 -14.372 332 H LYS 56 H LYS 56 0.428 -4.680 -12.921 333 HA LYS 56 HA LYS 56 -0.183 -2.155 -11.553 334 HB3 LYS 56 2HB LYS 56 2.057 -3.278 -11.116 335 HG3 LYS 56 2HG LYS 56 2.796 -2.149 -13.836 336 HD3 LYS 56 2HD LYS 56 4.116 -4.312 -12.140 337 HE3 LYS 56 2HE LYS 56 5.527 -2.498 -14.094 338 HZ1 LYS 56 3HZ LYS 56 6.438 -4.932 -14.397 339 HZ2 LYS 56 1HZ LYS 56 6.993 -3.935 -13.229 340 HZ3 LYS 56 2HZ LYS 56 5.886 -5.080 -12.867 341 H ALA 57 H ALA 57 -0.133 -0.190 -12.814 342 HA ALA 57 HA ALA 57 0.072 -0.455 -15.676 343 HB1 ALA 57 3HB ALA 57 -2.211 0.343 -16.106 344 HB2 ALA 57 1HB ALA 57 -2.252 -1.197 -15.215 345 HB3 ALA 57 2HB ALA 57 -2.559 0.334 -14.361 346 H ASP 58 H ASP 58 0.149 1.667 -16.729 347 HA ASP 58 HA ASP 58 1.001 3.660 -14.808 348 HB3 ASP 58 2HB ASP 58 2.684 3.875 -16.316 349 H LYS 59 H LYS 59 0.468 6.050 -15.580 350 HA LYS 59 HA LYS 59 -2.369 6.101 -16.206 351 HB3 LYS 59 2HB LYS 59 -1.568 8.699 -15.689 352 HG3 LYS 59 2HG LYS 59 -2.310 6.702 -13.518 353 HD3 LYS 59 2HD LYS 59 -3.892 8.740 -13.020 354 HE3 LYS 59 2HE LYS 59 -0.925 8.511 -12.531 355 HZ1 LYS 59 3HZ LYS 59 -2.293 10.649 -11.192 356 HZ2 LYS 59 1HZ LYS 59 -0.745 10.560 -11.704 357 HZ3 LYS 59 2HZ LYS 59 -1.932 10.940 -12.759 358 H LYS 60 H LYS 60 -0.316 5.387 -18.255 359 HA LYS 60 HA LYS 60 -0.645 7.711 -20.018 360 HB3 LYS 60 2HB LYS 60 1.239 6.607 -21.319 361 HG3 LYS 60 2HG LYS 60 1.280 8.184 -18.889 362 HD3 LYS 60 2HD LYS 60 3.055 5.860 -18.862 363 HE3 LYS 60 2HE LYS 60 5.045 7.434 -18.105 364 HZ1 LYS 60 3HZ LYS 60 5.838 6.440 -19.883 365 HZ2 LYS 60 1HZ LYS 60 4.357 6.253 -20.544 366 HZ3 LYS 60 2HZ LYS 60 5.216 7.611 -20.835 367 H SER 61 H SER 61 -0.794 4.100 -19.824 368 HA SER 61 HA SER 61 -2.734 4.269 -21.995 369 HB3 SER 61 2HB SER 61 -1.921 1.870 -22.548 370 HG SER 61 HG SER 61 0.208 3.745 -22.930 371 H MET 62 H MET 62 -2.265 3.740 -18.742 372 HA MET 62 HA MET 62 -3.240 2.578 -17.163 373 HB3 MET 62 2HB MET 62 -5.865 2.275 -17.747 374 HG3 MET 62 2HG MET 62 -5.193 5.159 -17.859 375 HE1 MET 62 3HE MET 62 -7.132 2.225 -15.058 376 HE2 MET 62 1HE MET 62 -5.409 2.394 -15.470 377 HE3 MET 62 2HE MET 62 -6.097 3.333 -14.124 378 H GLU 63 H GLU 63 -1.907 0.901 -19.141 379 HA GLU 63 HA GLU 63 -3.682 -1.298 -19.588 380 HB3 GLU 63 2HB GLU 63 -1.585 -2.360 -20.565 381 HG3 GLU 63 2HG GLU 63 -1.383 -0.003 -22.114 382 H TRP 64 H TRP 64 -3.764 -3.233 -18.433 383 HA TRP 64 HA TRP 64 -2.164 -3.259 -15.979 384 HB3 TRP 64 2HB TRP 64 -3.856 -4.853 -15.163 385 HD1 TRP 64 HD TRP 64 -6.194 -2.474 -17.040 386 HE1 TRP 64 1HE TRP 64 -7.052 -0.523 -15.484 387 HE3 TRP 64 3HE TRP 64 -3.075 -3.493 -13.155 388 HZ2 TRP 64 2HZ TRP 64 -6.346 0.356 -12.862 389 HZ3 TRP 64 3HZ TRP 64 -3.224 -2.041 -11.135 390 HH2 TRP 64 HH TRP 64 -4.788 -0.172 -10.950 391 H PHE 65 H PHE 65 -0.479 -4.684 -15.861 392 HA PHE 65 HA PHE 65 -0.548 -6.947 -17.733 393 HB3 PHE 65 2HB PHE 65 2.127 -6.470 -17.137 394 HD1 PHE 65 1HD PHE 65 -0.369 -4.462 -19.072 395 HD2 PHE 65 2HD PHE 65 3.177 -6.792 -19.153 396 HE1 PHE 65 1HE PHE 65 -0.240 -4.180 -21.563 397 HE2 PHE 65 2HE PHE 65 3.306 -6.510 -21.644 398 HZ PHE 65 HZ PHE 65 1.596 -5.207 -22.819 399 H THR 66 H THR 66 -0.745 -8.854 -16.668 400 HA THR 66 HA THR 66 -0.765 -9.258 -14.008 401 HB THR 66 HB THR 66 0.367 -11.178 -16.109 402 HG1 THR 66 1HG THR 66 -1.848 -11.430 -16.617 403 HG21 THR 66 3HG2 THR 66 0.336 -12.609 -14.306 404 HG22 THR 66 1HG2 THR 66 -0.577 -11.453 -13.307 405 HG23 THR 66 2HG2 THR 66 -1.436 -12.513 -14.450 406 H VAL 67 H VAL 67 0.583 -8.770 -12.404 407 HA VAL 67 HA VAL 67 3.414 -8.595 -13.003 408 HB VAL 67 HB VAL 67 1.692 -7.833 -10.646 409 HG11 VAL 67 1HG1 VAL 67 3.464 -7.768 -9.298 410 HG12 VAL 67 2HG1 VAL 67 4.447 -8.516 -10.580 411 HG13 VAL 67 3HG1 VAL 67 4.344 -6.743 -10.458 412 HG21 VAL 67 3HG2 VAL 67 2.541 -5.532 -11.268 413 HG22 VAL 67 1HG2 VAL 67 3.206 -6.262 -12.750 414 HG23 VAL 67 2HG2 VAL 67 1.451 -6.292 -12.452 415 H ILE 68 H ILE 68 1.132 -10.385 -10.841 416 HA ILE 68 HA ILE 68 2.896 -12.643 -10.900 417 HB ILE 68 HB ILE 68 3.493 -10.834 -8.975 418 HG13 ILE 68 2HG1 ILE 68 4.385 -13.283 -9.769 419 HG21 ILE 68 1HG2 ILE 68 2.487 -11.215 -6.951 420 HG22 ILE 68 2HG2 ILE 68 1.106 -11.450 -8.049 421 HG23 ILE 68 3HG2 ILE 68 1.967 -12.860 -7.386 422 HD11 ILE 68 3HD1 ILE 68 5.795 -12.808 -7.399 423 HD12 ILE 68 1HD1 ILE 68 6.175 -12.116 -8.995 424 HD13 ILE 68 2HD1 ILE 68 5.172 -11.201 -7.844 425 H GLU 69 H GLU 69 1.796 -14.575 -10.398 426 HA GLU 69 HA GLU 69 -1.006 -14.173 -9.701 427 HB3 GLU 69 2HB GLU 69 -1.510 -16.127 -11.253 428 HG3 GLU 69 2HG GLU 69 -0.392 -14.317 -13.220 429 H HIS 70 H HIS 70 -2.044 -16.173 -8.740 430 HA HIS 70 HA HIS 70 -2.016 -17.524 -6.979 431 HB3 HIS 70 2HB HIS 70 -1.313 -19.666 -7.512 432 HD1 HIS 70 1HD HIS 70 -3.312 -20.156 -8.976 433 HD2 HIS 70 2HD HIS 70 -0.366 -17.924 -10.959 434 HE1 HIS 70 1HE HIS 70 -4.038 -20.025 -11.420 435 H TYR 71 H TYR 71 -0.748 -15.395 -6.075 436 HA TYR 71 HA TYR 71 1.955 -15.959 -5.302 437 HB3 TYR 71 2HB TYR 71 0.092 -13.918 -4.020 438 HD1 TYR 71 2HD TYR 71 3.245 -14.374 -6.011 439 HD2 TYR 71 1HD TYR 71 1.262 -12.295 -2.841 440 HE1 TYR 71 2HE TYR 71 5.406 -13.162 -5.442 441 HE2 TYR 71 1HE TYR 71 3.430 -11.091 -2.283 442 HH TYR 71 HH TYR 71 6.373 -12.103 -3.333 443 H HIS 72 H HIS 72 2.162 -15.125 -2.690 444 HA HIS 72 HA HIS 72 0.423 -16.962 -1.224 445 HB3 HIS 72 2HB HIS 72 3.190 -16.783 -0.232 446 HD1 HIS 72 1HD HIS 72 3.216 -18.525 1.543 447 HD2 HIS 72 2HD HIS 72 0.664 -19.559 -1.621 448 HE1 HIS 72 1HE HIS 72 2.187 -20.777 2.162 449 H ARG 73 H ARG 73 3.165 -14.675 -0.526 450 HA ARG 73 HA ARG 73 2.102 -13.799 1.831 451 HB3 ARG 73 2HB ARG 73 3.616 -11.735 0.316 452 HG3 ARG 73 2HG ARG 73 3.311 -12.477 2.973 453 HD3 ARG 73 2HD ARG 73 5.425 -14.122 1.874 454 HE ARG 73 HE ARG 73 7.221 -12.724 2.440 455 HH11 ARG 73 2HH2 ARG 73 4.788 -12.580 4.978 456 HH12 ARG 73 1HH2 ARG 73 5.786 -11.666 6.060 457 HH21 ARG 73 2HH1 ARG 73 8.539 -11.519 3.866 458 HH22 ARG 73 1HH1 ARG 73 7.935 -11.060 5.423 459 H THR 74 H THR 74 1.607 -11.236 2.148 460 HA THR 74 HA THR 74 -0.561 -10.638 0.254 461 HB THR 74 HB THR 74 -1.437 -9.300 2.225 462 HG1 THR 74 1HG THR 74 -0.179 -9.552 4.180 463 HG21 THR 74 3HG2 THR 74 -2.299 -11.572 2.153 464 HG22 THR 74 1HG2 THR 74 -0.738 -12.241 2.686 465 HG23 THR 74 2HG2 THR 74 -1.738 -11.303 3.821 466 H SER 75 H SER 75 2.618 -9.954 0.587 467 HA SER 75 HA SER 75 2.152 -7.287 -0.462 468 HB3 SER 75 2HB SER 75 3.097 -6.374 1.381 469 HG SER 75 HG SER 75 3.903 -7.611 3.090 470 H ALA 76 H ALA 76 3.555 -6.716 -2.190 471 HA ALA 76 HA ALA 76 5.737 -8.545 -2.793 472 HB1 ALA 76 3HB ALA 76 3.692 -7.859 -4.919 473 HB2 ALA 76 1HB ALA 76 4.941 -9.126 -4.941 474 HB3 ALA 76 2HB ALA 76 3.514 -9.301 -3.891 475 H THR 77 H THR 77 7.454 -7.515 -3.826 476 HA THR 77 HA THR 77 7.170 -4.617 -4.029 477 HB THR 77 HB THR 77 9.576 -6.514 -4.002 478 HG1 THR 77 1HG THR 77 8.202 -4.675 -2.179 479 HG21 THR 77 3HG2 THR 77 10.932 -4.710 -4.379 480 HG22 THR 77 1HG2 THR 77 9.479 -3.830 -4.915 481 HG23 THR 77 2HG2 THR 77 10.014 -3.717 -3.221 482 H ILE 78 H ILE 78 6.682 -3.684 -5.904 483 HA ILE 78 HA ILE 78 6.854 -5.199 -8.319 484 HB ILE 78 HB ILE 78 6.157 -2.297 -7.856 485 HG13 ILE 78 2HG1 ILE 78 3.971 -2.875 -7.465 486 HG21 ILE 78 1HG2 ILE 78 5.730 -4.124 -10.234 487 HG22 ILE 78 2HG2 ILE 78 4.961 -2.532 -10.029 488 HG23 ILE 78 3HG2 ILE 78 6.732 -2.654 -10.159 489 HD11 ILE 78 3HD1 ILE 78 3.366 -4.200 -9.334 490 HD12 ILE 78 1HD1 ILE 78 4.624 -5.412 -8.995 491 HD13 ILE 78 2HD1 ILE 78 3.181 -5.316 -7.960 492 H THR 79 H THR 79 7.982 -4.317 -10.302 493 HA THR 79 HA THR 79 10.389 -2.796 -9.641 494 HB THR 79 HB THR 79 11.631 -4.615 -11.062 495 HG1 THR 79 1HG THR 79 10.381 -6.696 -10.770 496 HG21 THR 79 3HG2 THR 79 12.185 -4.656 -8.729 497 HG22 THR 79 1HG2 THR 79 10.525 -5.097 -8.261 498 HG23 THR 79 2HG2 THR 79 11.575 -6.296 -9.054 499 H GLU 80 H GLU 80 11.683 -2.805 -12.029 500 HA GLU 80 HA GLU 80 11.686 -1.647 -13.877 501 HB3 GLU 80 2HB GLU 80 9.965 -2.418 -15.627 502 HG3 GLU 80 2HG GLU 80 11.705 -4.330 -14.029 503 H LEU 81 H LEU 81 11.056 0.232 -12.314 504 HA LEU 81 HA LEU 81 8.576 1.419 -13.347 505 HB3 LEU 81 2HB LEU 81 8.328 2.526 -11.151 506 HG LEU 81 HG LEU 81 8.338 -0.497 -11.118 507 HD11 LEU 81 1HD1 LEU 81 7.987 -0.555 -8.930 508 HD12 LEU 81 2HD1 LEU 81 8.346 1.187 -8.854 509 HD13 LEU 81 3HD1 LEU 81 6.668 0.632 -9.066 510 HD21 LEU 81 3HD2 LEU 81 5.744 0.332 -10.883 511 HD22 LEU 81 1HD2 LEU 81 6.434 1.594 -11.933 512 HD23 LEU 81 2HD2 LEU 81 6.545 -0.119 -12.408 513 H VAL 82 H VAL 82 8.736 3.500 -14.127 514 HA VAL 82 HA VAL 82 11.451 4.526 -14.300 515 HB VAL 82 HB VAL 82 8.858 5.151 -15.712 516 HG11 VAL 82 1HG1 VAL 82 11.265 6.801 -15.423 517 HG12 VAL 82 2HG1 VAL 82 10.845 6.464 -17.120 518 HG13 VAL 82 3HG1 VAL 82 9.650 7.225 -16.041 519 HG21 VAL 82 3HG2 VAL 82 10.335 3.068 -16.230 520 HG22 VAL 82 1HG2 VAL 82 9.758 4.082 -17.575 521 HG23 VAL 82 2HG2 VAL 82 11.432 4.247 -16.990 522 H ILE 83 H ILE 83 12.178 6.273 -13.169 523 HA ILE 83 HA ILE 83 10.491 7.320 -11.130 524 HB ILE 83 HB ILE 83 13.305 7.904 -12.034 525 HG13 ILE 83 2HG1 ILE 83 12.780 5.707 -10.928 526 HG21 ILE 83 1HG2 ILE 83 12.985 9.932 -11.102 527 HG22 ILE 83 2HG2 ILE 83 11.562 9.407 -10.170 528 HG23 ILE 83 3HG2 ILE 83 13.199 9.029 -9.584 529 HD11 ILE 83 3HD1 ILE 83 14.427 7.177 -8.922 530 HD12 ILE 83 1HD1 ILE 83 14.825 5.733 -9.884 531 HD13 ILE 83 2HD1 ILE 83 14.947 7.351 -10.615 532 H GLY 84 H GLY 84 9.430 9.283 -11.009 533 HA2 GLY 84 1HA GLY 84 8.982 11.467 -11.669 534 HA3 GLY 84 2HA GLY 84 9.815 11.202 -13.187 535 H ASN 85 H ASN 85 7.157 9.386 -11.491 536 HA ASN 85 HA ASN 85 5.178 10.274 -13.215 537 HB3 ASN 85 2HB ASN 85 5.002 7.654 -14.118 538 HD21 ASN 85 1HD2 ASN 85 6.983 7.882 -16.287 539 HD22 ASN 85 2HD2 ASN 85 6.441 9.152 -17.333 540 H GLU 86 H GLU 86 3.188 8.547 -13.023 541 HA GLU 86 HA GLU 86 3.398 7.364 -10.364 542 HB3 GLU 86 2HB GLU 86 0.984 7.930 -10.051 543 HG3 GLU 86 2HG GLU 86 3.083 9.585 -9.657 544 H TYR 87 H TYR 87 1.676 5.577 -10.008 545 HA TYR 87 HA TYR 87 0.759 4.301 -12.430 546 HB3 TYR 87 2HB TYR 87 2.044 2.188 -11.731 547 HD1 TYR 87 2HD TYR 87 2.665 2.522 -14.087 548 HD2 TYR 87 1HD TYR 87 4.579 4.727 -10.959 549 HE1 TYR 87 2HE TYR 87 4.523 3.194 -15.686 550 HE2 TYR 87 1HE TYR 87 6.430 5.392 -12.569 551 HH TYR 87 HH TYR 87 6.824 5.614 -14.862 552 H TYR 88 H TYR 88 -0.651 2.420 -11.958 553 HA TYR 88 HA TYR 88 -1.800 2.686 -9.266 554 HB3 TYR 88 2HB TYR 88 -3.743 1.515 -10.691 555 HD1 TYR 88 1HD TYR 88 -4.009 3.609 -8.921 556 HD2 TYR 88 2HD TYR 88 -3.444 3.918 -13.152 557 HE1 TYR 88 1HE TYR 88 -5.081 5.915 -8.904 558 HE2 TYR 88 2HE TYR 88 -4.517 6.222 -13.120 559 HH TYR 88 HH TYR 88 -5.265 7.840 -11.876 560 H PHE 89 H PHE 89 -3.091 0.549 -8.669 561 HA PHE 89 HA PHE 89 -1.912 -1.862 -9.633 562 HB3 PHE 89 2HB PHE 89 -0.805 -2.428 -7.486 563 HD1 PHE 89 1HD PHE 89 1.083 -2.269 -9.035 564 HD2 PHE 89 2HD PHE 89 -0.442 1.177 -7.084 565 HE1 PHE 89 1HE PHE 89 3.167 -1.007 -9.636 566 HE2 PHE 89 2HE PHE 89 1.642 2.439 -7.685 567 HZ PHE 89 HZ PHE 89 3.422 1.333 -8.954 568 H ARG 90 H ARG 90 -3.134 -3.697 -9.029 569 HA ARG 90 HA ARG 90 -5.236 -3.196 -7.105 570 HB3 ARG 90 2HB ARG 90 -6.338 -2.780 -9.241 571 HG3 ARG 90 2HG ARG 90 -4.742 -5.186 -10.085 572 HD3 ARG 90 2HD ARG 90 -7.611 -4.947 -10.557 573 HE ARG 90 HE ARG 90 -5.882 -4.339 -12.878 574 HH11 ARG 90 2HH2 ARG 90 -9.026 -5.439 -11.742 575 HH12 ARG 90 1HH2 ARG 90 -9.829 -5.094 -13.238 576 HH21 ARG 90 2HH1 ARG 90 -6.940 -3.884 -14.851 577 HH22 ARG 90 1HH1 ARG 90 -8.635 -4.204 -15.018 578 H VAL 91 H VAL 91 -5.792 -5.056 -5.877 579 HA VAL 91 HA VAL 91 -4.158 -7.416 -6.482 580 HB VAL 91 HB VAL 91 -5.332 -6.361 -3.904 581 HG11 VAL 91 1HG1 VAL 91 -5.305 -8.923 -4.216 582 HG12 VAL 91 2HG1 VAL 91 -3.533 -8.778 -4.127 583 HG13 VAL 91 3HG1 VAL 91 -4.538 -8.250 -2.757 584 HG21 VAL 91 3HG2 VAL 91 -2.502 -6.827 -3.829 585 HG22 VAL 91 1HG2 VAL 91 -2.884 -5.834 -5.256 586 HG23 VAL 91 2HG2 VAL 91 -3.392 -5.297 -3.636 587 H PHE 92 H PHE 92 -5.141 -9.316 -7.013 588 HA PHE 92 HA PHE 92 -8.063 -9.284 -6.957 589 HB3 PHE 92 2HB PHE 92 -7.392 -11.438 -8.467 590 HD1 PHE 92 2HD PHE 92 -9.358 -9.402 -8.741 591 HD2 PHE 92 1HD PHE 92 -5.536 -9.616 -10.570 592 HE1 PHE 92 2HE PHE 92 -10.178 -7.960 -10.625 593 HE2 PHE 92 1HE PHE 92 -6.355 -8.174 -12.453 594 HZ PHE 92 HZ PHE 92 -8.667 -7.363 -12.458 595 H SER 93 H SER 93 -8.954 -11.722 -6.821 596 HA SER 93 HA SER 93 -7.519 -12.995 -4.627 597 HB3 SER 93 2HB SER 93 -9.657 -13.499 -3.533 598 HG SER 93 HG SER 93 -9.690 -10.715 -4.323 599 H GLU 94 H GLU 94 -7.051 -15.130 -5.043 600 HA GLU 94 HA GLU 94 -8.690 -16.410 -7.092 601 HB3 GLU 94 2HB GLU 94 -6.422 -17.811 -7.357 602 HG3 GLU 94 2HG GLU 94 -5.927 -15.251 -8.652 603 H ASN 95 H ASN 95 -8.090 -19.018 -6.912 604 HA ASN 95 HA ASN 95 -7.463 -20.132 -4.545 605 HB3 ASN 95 2HB ASN 95 -9.221 -19.205 -3.267 606 HD21 ASN 95 1HD2 ASN 95 -11.661 -18.922 -3.049 607 HD22 ASN 95 2HD2 ASN 95 -12.484 -18.168 -4.373 608 H MET 96 H MET 96 -10.319 -20.181 -6.820 609 HA MET 96 HA MET 96 -9.306 -22.492 -8.108 610 HB3 MET 96 2HB MET 96 -10.298 -23.691 -6.247 611 HG3 MET 96 2HG MET 96 -11.845 -21.434 -5.859 612 HE1 MET 96 3HE MET 96 -15.447 -21.217 -6.158 613 HE2 MET 96 1HE MET 96 -15.185 -22.536 -4.991 614 HE3 MET 96 2HE MET 96 -14.078 -21.141 -5.023 615 H CYS 97 H CYS 97 -12.106 -20.319 -7.440 616 HA CYS 97 HA CYS 97 -13.501 -20.818 -9.776 617 HB3 CYS 97 2HB CYS 97 -14.021 -18.155 -9.217 618 HG CYS 97 HG CYS 97 -15.960 -19.643 -9.674 619 H GLY 98 H GLY 98 -11.276 -18.038 -8.980 620 HA2 GLY 98 1HA GLY 98 -9.613 -18.110 -11.117 621 HA3 GLY 98 2HA GLY 98 -11.037 -17.322 -11.763 622 H LEU 99 H LEU 99 -10.316 -15.200 -11.965 623 HA LEU 99 HA LEU 99 -9.038 -13.996 -9.642 624 HB3 LEU 99 2HB LEU 99 -8.762 -12.071 -11.286 625 HG LEU 99 HG LEU 99 -6.940 -13.078 -12.571 626 HD11 LEU 99 1HD1 LEU 99 -6.457 -12.391 -10.310 627 HD12 LEU 99 2HD1 LEU 99 -7.044 -13.944 -9.670 628 HD13 LEU 99 3HD1 LEU 99 -5.573 -13.894 -10.670 629 HD21 LEU 99 3HD2 LEU 99 -7.751 -15.747 -11.398 630 HD22 LEU 99 1HD2 LEU 99 -8.125 -15.227 -13.059 631 HD23 LEU 99 2HD2 LEU 99 -6.431 -15.413 -12.544 632 H SER 100 H SER 100 -9.961 -12.367 -8.413 633 HA SER 100 HA SER 100 -12.678 -12.340 -8.189 634 HB3 SER 100 2HB SER 100 -10.540 -10.356 -7.338 635 HG SER 100 HG SER 100 -12.104 -8.977 -6.872 636 H GLU 101 H GLU 101 -14.354 -11.208 -9.171 637 HA GLU 101 HA GLU 101 -13.977 -10.092 -11.623 638 HB3 GLU 101 2HB GLU 101 -16.301 -8.866 -10.531 639 HG3 GLU 101 2HG GLU 101 -16.889 -11.489 -11.579 640 H ASP 102 H ASP 102 -14.128 -8.504 -8.388 641 HA ASP 102 HA ASP 102 -13.382 -6.027 -9.727 642 HB3 ASP 102 2HB ASP 102 -14.275 -4.850 -7.792 643 H ALA 103 H ALA 103 -11.637 -4.739 -8.660 644 HA ALA 103 HA ALA 103 -10.046 -6.287 -6.741 645 HB1 ALA 103 3HB ALA 103 -8.831 -4.687 -9.011 646 HB2 ALA 103 1HB ALA 103 -8.054 -5.901 -7.968 647 HB3 ALA 103 2HB ALA 103 -9.243 -6.409 -9.191 648 H THR 104 H THR 104 -9.191 -5.080 -5.059 649 HA THR 104 HA THR 104 -10.233 -2.414 -4.782 650 HB THR 104 HB THR 104 -8.475 -4.218 -3.038 651 HG1 THR 104 1HG THR 104 -11.284 -3.411 -3.255 652 HG21 THR 104 3HG2 THR 104 -9.849 -2.488 -1.369 653 HG22 THR 104 1HG2 THR 104 -8.144 -2.275 -1.833 654 HG23 THR 104 2HG2 THR 104 -9.422 -1.406 -2.717 655 H MET 105 H MET 105 -9.337 -0.929 -6.134 656 HA MET 105 HA MET 105 -6.525 -0.980 -6.582 657 HB3 MET 105 2HB MET 105 -8.236 1.412 -7.279 658 HG3 MET 105 2HG MET 105 -6.082 -0.266 -8.602 659 HE1 MET 105 3HE MET 105 -7.563 3.090 -11.135 660 HE2 MET 105 1HE MET 105 -6.754 3.092 -9.550 661 HE3 MET 105 2HE MET 105 -5.872 2.551 -10.998 662 H THR 106 H THR 106 -4.941 0.394 -5.728 663 HA THR 106 HA THR 106 -5.235 1.376 -3.189 664 HB THR 106 HB THR 106 -3.119 2.681 -3.818 665 HG1 THR 106 1HG THR 106 -4.022 2.942 -6.085 666 HG21 THR 106 3HG2 THR 106 -3.557 -0.213 -4.023 667 HG22 THR 106 1HG2 THR 106 -2.290 0.316 -5.157 668 HG23 THR 106 2HG2 THR 106 -2.128 0.658 -3.417 669 H LYS 107 H LYS 107 -6.330 2.982 -2.264 670 HA LYS 107 HA LYS 107 -8.063 4.613 -3.489 671 HB3 LYS 107 2HB LYS 107 -6.892 6.108 -1.346 672 HG3 LYS 107 2HG LYS 107 -9.040 4.693 -0.308 673 HD3 LYS 107 2HD LYS 107 -9.168 7.119 -2.163 674 HE3 LYS 107 2HE LYS 107 -11.007 6.203 0.102 675 HZ1 LYS 107 3HZ LYS 107 -11.374 8.383 0.137 676 HZ2 LYS 107 1HZ LYS 107 -10.659 8.671 -1.302 677 HZ3 LYS 107 2HZ LYS 107 -12.204 8.148 -1.249 678 H GLU 108 H GLU 108 -4.534 4.936 -3.417 679 HA GLU 108 HA GLU 108 -4.852 7.158 -5.253 680 HB3 GLU 108 2HB GLU 108 -2.721 8.149 -4.092 681 HG3 GLU 108 2HG GLU 108 -5.394 8.193 -2.612 682 H SER 109 H SER 109 -2.484 7.650 -6.241 683 HA SER 109 HA SER 109 -1.553 5.037 -7.068 684 HB3 SER 109 2HB SER 109 -2.113 6.408 -8.935 685 HG SER 109 HG SER 109 -2.099 8.528 -8.697 686 H ALA 110 H ALA 110 0.904 4.831 -7.461 687 HA ALA 110 HA ALA 110 2.270 6.033 -5.166 688 HB1 ALA 110 3HB ALA 110 2.031 3.410 -5.968 689 HB2 ALA 110 1HB ALA 110 3.593 3.868 -6.687 690 HB3 ALA 110 2HB ALA 110 3.336 4.043 -4.934 691 H VAL 111 H VAL 111 3.653 7.689 -5.526 692 HA VAL 111 HA VAL 111 4.380 8.276 -8.263 693 HB VAL 111 HB VAL 111 4.822 9.723 -5.645 694 HG11 VAL 111 1HG1 VAL 111 5.941 11.398 -6.711 695 HG12 VAL 111 2HG1 VAL 111 6.421 10.057 -7.779 696 HG13 VAL 111 3HG1 VAL 111 5.089 11.140 -8.252 697 HG21 VAL 111 3HG2 VAL 111 2.760 10.530 -5.888 698 HG22 VAL 111 1HG2 VAL 111 3.150 11.115 -7.523 699 HG23 VAL 111 2HG2 VAL 111 2.525 9.464 -7.294 700 H ILE 112 H ILE 112 6.182 7.452 -9.177 701 HA ILE 112 HA ILE 112 8.118 6.133 -7.556 702 HB ILE 112 HB ILE 112 8.164 6.783 -10.504 703 HG13 ILE 112 2HG1 ILE 112 7.258 4.501 -10.811 704 HG21 ILE 112 1HG2 ILE 112 10.314 6.063 -9.237 705 HG22 ILE 112 2HG2 ILE 112 9.545 4.458 -9.191 706 HG23 ILE 112 3HG2 ILE 112 9.876 5.242 -10.755 707 HD11 ILE 112 3HD1 ILE 112 7.856 4.194 -8.084 708 HD12 ILE 112 1HD1 ILE 112 6.082 4.336 -8.127 709 HD13 ILE 112 2HD1 ILE 112 6.899 3.075 -9.083 710 H ALA 113 H ALA 113 10.172 6.792 -6.950 711 HA ALA 113 HA ALA 113 11.493 8.987 -8.057 712 HB1 ALA 113 3HB ALA 113 9.521 9.575 -5.923 713 HB2 ALA 113 1HB ALA 113 11.146 10.249 -5.647 714 HB3 ALA 113 2HB ALA 113 10.255 10.654 -7.134 715 H ARG 114 H ARG 114 13.607 9.214 -7.134 716 HA ARG 114 HA ARG 114 14.384 6.877 -5.739 717 HB3 ARG 114 2HB ARG 114 16.627 8.510 -5.761 718 HG3 ARG 114 2HG ARG 114 16.346 7.438 -8.411 719 HD3 ARG 114 2HD ARG 114 17.662 6.422 -5.851 720 HE ARG 114 HE ARG 114 17.811 4.456 -7.131 721 HH11 ARG 114 2HH2 ARG 114 18.436 7.249 -9.180 722 HH12 ARG 114 1HH2 ARG 114 18.956 6.301 -10.532 723 HH21 ARG 114 2HH1 ARG 114 18.496 3.205 -8.916 724 HH22 ARG 114 1HH1 ARG 114 18.991 3.984 -10.382 725 H ASP 115 H ASP 115 12.791 7.663 -3.878 726 HA ASP 115 HA ASP 115 14.494 8.669 -1.830 727 HB3 ASP 115 2HB ASP 115 11.849 10.110 -2.171 728 H GLY 116 H GLY 116 13.088 8.702 0.350 729 HA2 GLY 116 1HA GLY 116 10.674 7.123 0.298 730 HA3 GLY 116 2HA GLY 116 12.070 6.256 0.908 731 H LYS 117 H LYS 117 9.443 8.021 1.885 732 HA LYS 117 HA LYS 117 10.867 9.278 4.114 733 HB3 LYS 117 2HB LYS 117 8.217 9.801 2.783 734 HG3 LYS 117 2HG LYS 117 7.592 9.842 5.105 735 HD3 LYS 117 2HD LYS 117 10.422 10.669 5.465 736 HE3 LYS 117 2HE LYS 117 8.142 12.089 6.870 737 HZ1 LYS 117 3HZ LYS 117 9.291 12.224 8.772 738 HZ2 LYS 117 1HZ LYS 117 9.880 10.769 8.321 739 HZ3 LYS 117 2HZ LYS 117 10.760 12.121 8.068 740 H ILE 118 H ILE 118 10.927 8.209 6.011 741 HA ILE 118 HA ILE 118 9.309 5.867 6.330 742 HB ILE 118 HB ILE 118 11.414 7.220 8.004 743 HG13 ILE 118 2HG1 ILE 118 11.758 5.757 5.783 744 HG21 ILE 118 1HG2 ILE 118 11.302 5.079 9.383 745 HG22 ILE 118 2HG2 ILE 118 10.014 6.280 9.642 746 HG23 ILE 118 3HG2 ILE 118 9.694 4.829 8.662 747 HD11 ILE 118 3HD1 ILE 118 13.395 5.664 8.355 748 HD12 ILE 118 1HD1 ILE 118 13.981 5.056 6.788 749 HD13 ILE 118 2HD1 ILE 118 13.603 6.784 6.988 750 H TYR 119 H TYR 119 7.163 6.812 6.239 751 HA TYR 119 HA TYR 119 6.474 8.660 8.360 752 HB3 TYR 119 2HB TYR 119 4.384 7.314 6.692 753 HD1 TYR 119 1HD TYR 119 6.299 10.542 6.482 754 HD2 TYR 119 2HD TYR 119 2.537 8.628 7.182 755 HE1 TYR 119 1HE TYR 119 5.177 12.812 6.702 756 HE2 TYR 119 2HE TYR 119 1.428 10.905 7.401 757 HH TYR 119 HH TYR 119 1.672 13.048 7.214 758 H LYS 120 H LYS 120 7.324 5.671 8.750 759 HA LYS 120 HA LYS 120 5.549 5.185 10.876 760 HB3 LYS 120 2HB LYS 120 4.902 2.850 9.654 761 HG3 LYS 120 2HG LYS 120 3.034 5.048 8.971 762 HD3 LYS 120 2HD LYS 120 3.001 2.559 10.725 763 HE3 LYS 120 2HE LYS 120 0.481 4.101 10.173 764 HZ1 LYS 120 3HZ LYS 120 -0.222 2.918 11.937 765 HZ2 LYS 120 1HZ LYS 120 0.965 1.900 11.469 766 HZ3 LYS 120 2HZ LYS 120 1.215 2.931 12.711 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -11.059 4.476 4.082 2 HA2 GLY 1 1HA GLY 1 -11.593 5.290 6.437 3 HA3 GLY 1 2HA GLY 1 -12.005 3.632 6.050 4 H SER 2 H SER 2 -11.363 2.137 7.532 5 HA SER 2 HA SER 2 -8.742 2.429 8.677 6 HB3 SER 2 2HB SER 2 -10.495 3.623 10.176 7 HG SER 2 HG SER 2 -11.543 2.095 11.661 8 H SER 3 H SER 3 -8.336 0.373 10.188 9 HA SER 3 HA SER 3 -9.118 -1.851 8.582 10 HB3 SER 3 2HB SER 3 -7.702 -2.807 10.826 11 HG SER 3 HG SER 3 -7.366 -3.173 8.435 12 H GLY 4 H GLY 4 -9.752 -3.985 9.836 13 HA2 GLY 4 1HA GLY 4 -12.041 -3.300 11.529 14 HA3 GLY 4 2HA GLY 4 -11.748 -4.814 10.697 15 H SER 5 H SER 5 -12.374 -5.651 12.948 16 HA SER 5 HA SER 5 -10.077 -5.512 14.729 17 HB3 SER 5 2HB SER 5 -12.660 -6.765 15.606 18 HG SER 5 HG SER 5 -11.044 -6.540 17.182 19 H SER 6 H SER 6 -9.790 -7.692 16.052 20 HA SER 6 HA SER 6 -9.193 -9.655 14.164 21 HB3 SER 6 2HB SER 6 -7.807 -9.576 16.089 22 HG SER 6 HG SER 6 -8.532 -9.442 18.170 23 H GLY 7 H GLY 7 -10.075 -11.861 13.994 24 HA2 GLY 7 1HA GLY 7 -12.409 -12.669 15.374 25 HA3 GLY 7 2HA GLY 7 -12.849 -11.977 13.826 26 H ALA 8 H ALA 8 -11.721 -14.785 15.459 27 HA ALA 8 HA ALA 8 -11.012 -16.009 12.880 28 HB1 ALA 8 3HB ALA 8 -9.320 -15.728 14.953 29 HB2 ALA 8 1HB ALA 8 -10.133 -17.224 15.470 30 HB3 ALA 8 2HB ALA 8 -9.302 -17.161 13.898 31 H SER 9 H SER 9 -12.929 -16.909 12.204 32 HA SER 9 HA SER 9 -13.814 -19.187 13.484 33 HB3 SER 9 2HB SER 9 -15.563 -16.732 13.934 34 HG SER 9 HG SER 9 -16.789 -18.689 13.293 35 H ILE 10 H ILE 10 -15.070 -20.397 12.015 36 HA ILE 10 HA ILE 10 -15.482 -19.104 9.450 37 HB ILE 10 HB ILE 10 -16.005 -21.500 8.775 38 HG13 ILE 10 2HG1 ILE 10 -16.216 -22.016 11.413 39 HG21 ILE 10 1HG2 ILE 10 -13.315 -20.538 9.729 40 HG22 ILE 10 2HG2 ILE 10 -13.513 -22.122 8.941 41 HG23 ILE 10 3HG2 ILE 10 -13.956 -20.633 8.072 42 HD11 ILE 10 3HD1 ILE 10 -14.995 -24.214 9.775 43 HD12 ILE 10 1HD1 ILE 10 -16.485 -24.216 10.749 44 HD13 ILE 10 2HD1 ILE 10 -16.475 -23.458 9.138 45 H ASP 11 H ASP 11 -17.319 -17.854 9.496 46 HA ASP 11 HA ASP 11 -19.751 -19.349 9.966 47 HB3 ASP 11 2HB ASP 11 -20.667 -17.181 11.082 48 H ILE 12 H ILE 12 -21.706 -17.952 9.094 49 HA ILE 12 HA ILE 12 -22.559 -17.196 7.162 50 HB ILE 12 HB ILE 12 -20.924 -14.931 8.274 51 HG13 ILE 12 2HG1 ILE 12 -22.833 -15.858 9.589 52 HG21 ILE 12 1HG2 ILE 12 -22.102 -15.074 5.647 53 HG22 ILE 12 2HG2 ILE 12 -22.941 -13.853 6.634 54 HG23 ILE 12 3HG2 ILE 12 -21.177 -13.758 6.408 55 HD11 ILE 12 3HD1 ILE 12 -23.689 -13.734 10.198 56 HD12 ILE 12 1HD1 ILE 12 -22.095 -13.351 9.502 57 HD13 ILE 12 2HD1 ILE 12 -23.571 -13.110 8.535 58 H GLN 13 H GLN 13 -21.604 -18.718 5.687 59 HA GLN 13 HA GLN 13 -19.189 -17.780 4.394 60 HB3 GLN 13 2HB GLN 13 -19.781 -20.154 3.157 61 HG3 GLN 13 2HG GLN 13 -18.395 -19.686 5.837 62 HE21 GLN 13 1HE2 GLN 13 -18.619 -21.518 6.931 63 HE22 GLN 13 2HE2 GLN 13 -18.238 -23.107 6.354 64 H ILE 14 H ILE 14 -19.151 -16.954 2.314 65 HA ILE 14 HA ILE 14 -21.760 -16.826 0.976 66 HB ILE 14 HB ILE 14 -19.497 -14.992 0.325 67 HG13 ILE 14 2HG1 ILE 14 -19.608 -15.017 2.798 68 HG21 ILE 14 1HG2 ILE 14 -22.209 -15.270 -0.428 69 HG22 ILE 14 2HG2 ILE 14 -22.091 -13.782 0.542 70 HG23 ILE 14 3HG2 ILE 14 -21.058 -13.995 -0.892 71 HD11 ILE 14 3HD1 ILE 14 -19.911 -12.753 1.042 72 HD12 ILE 14 1HD1 ILE 14 -20.833 -12.432 2.531 73 HD13 ILE 14 2HD1 ILE 14 -19.098 -12.821 2.624 74 H ILE 15 H ILE 15 -21.705 -18.776 -0.172 75 HA ILE 15 HA ILE 15 -19.523 -19.865 -1.417 76 HB ILE 15 HB ILE 15 -21.085 -21.127 -2.726 77 HG13 ILE 15 2HG1 ILE 15 -23.377 -20.613 -3.016 78 HG21 ILE 15 1HG2 ILE 15 -21.204 -22.164 -0.738 79 HG22 ILE 15 2HG2 ILE 15 -21.508 -20.654 0.154 80 HG23 ILE 15 3HG2 ILE 15 -22.845 -21.477 -0.682 81 HD11 ILE 15 3HD1 ILE 15 -23.509 -19.603 -0.581 82 HD12 ILE 15 1HD1 ILE 15 -23.129 -18.068 -1.398 83 HD13 ILE 15 2HD1 ILE 15 -24.593 -18.975 -1.845 84 H ASP 16 H ASP 16 -19.611 -20.137 -4.048 85 HA ASP 16 HA ASP 16 -19.485 -19.188 -6.030 86 HB3 ASP 16 2HB ASP 16 -19.878 -16.362 -5.091 87 H ARG 17 H ARG 17 -18.030 -17.237 -7.089 88 HA ARG 17 HA ARG 17 -15.500 -17.593 -6.219 89 HB3 ARG 17 2HB ARG 17 -15.215 -15.190 -7.443 90 HG3 ARG 17 2HG ARG 17 -15.179 -17.892 -8.257 91 HD3 ARG 17 2HD ARG 17 -17.499 -16.861 -9.373 92 HE ARG 17 HE ARG 17 -15.385 -15.750 -10.935 93 HH11 ARG 17 2HH2 ARG 17 -18.340 -17.609 -11.375 94 HH12 ARG 17 1HH2 ARG 17 -18.631 -17.010 -12.973 95 HH21 ARG 17 2HH1 ARG 17 -15.769 -14.958 -13.044 96 HH22 ARG 17 1HH1 ARG 17 -17.159 -15.492 -13.929 97 HA PRO 18 HA PRO 18 -14.988 -14.852 -2.866 98 HB3 PRO 18 2HB PRO 18 -12.963 -15.786 -2.293 99 HG3 PRO 18 2HG PRO 18 -11.877 -16.865 -4.017 100 HD3 PRO 18 2HD PRO 18 -13.664 -17.365 -5.375 101 H GLY 19 H GLY 19 -14.299 -12.660 -2.076 102 HA2 GLY 19 1HA GLY 19 -14.928 -10.797 -4.252 103 HA3 GLY 19 2HA GLY 19 -15.041 -10.494 -2.529 104 HA PRO 20 HA PRO 20 -11.082 -8.768 -4.033 105 HB3 PRO 20 2HB PRO 20 -11.801 -6.852 -5.087 106 HG3 PRO 20 2HG PRO 20 -14.036 -6.369 -4.788 107 HD3 PRO 20 2HD PRO 20 -14.849 -8.470 -4.325 108 HA PRO 21 HA PRO 21 -9.284 -8.346 -0.208 109 HB3 PRO 21 2HB PRO 21 -7.137 -8.220 -1.031 110 HG3 PRO 21 2HG PRO 21 -6.976 -7.395 -3.178 111 HD3 PRO 21 2HD PRO 21 -9.079 -7.893 -3.966 112 H GLN 22 H GLN 22 -9.485 -7.446 1.808 113 HA GLN 22 HA GLN 22 -11.400 -5.667 2.206 114 HB3 GLN 22 2HB GLN 22 -9.780 -4.965 4.279 115 HG3 GLN 22 2HG GLN 22 -10.635 -7.822 4.372 116 HE21 GLN 22 1HE2 GLN 22 -9.339 -7.254 6.298 117 HE22 GLN 22 2HE2 GLN 22 -10.132 -6.524 7.654 118 H ILE 23 H ILE 23 -7.883 -4.801 1.880 119 HA ILE 23 HA ILE 23 -8.632 -2.340 0.599 120 HB ILE 23 HB ILE 23 -8.746 -2.027 3.164 121 HG13 ILE 23 2HG1 ILE 23 -8.496 0.205 2.815 122 HG21 ILE 23 1HG2 ILE 23 -6.793 -3.002 3.976 123 HG22 ILE 23 2HG2 ILE 23 -5.781 -2.281 2.702 124 HG23 ILE 23 3HG2 ILE 23 -6.432 -1.259 4.006 125 HD11 ILE 23 3HD1 ILE 23 -6.578 0.885 1.011 126 HD12 ILE 23 1HD1 ILE 23 -6.255 0.742 2.756 127 HD13 ILE 23 2HD1 ILE 23 -5.857 -0.606 1.663 128 H VAL 24 H VAL 24 -6.644 -1.177 -0.211 129 HA VAL 24 HA VAL 24 -4.316 -2.939 -0.315 130 HB VAL 24 HB VAL 24 -5.655 -1.703 -2.729 131 HG11 VAL 24 1HG1 VAL 24 -3.161 -1.857 -2.823 132 HG12 VAL 24 2HG1 VAL 24 -3.303 -3.617 -2.602 133 HG13 VAL 24 3HG1 VAL 24 -3.989 -2.844 -4.050 134 HG21 VAL 24 3HG2 VAL 24 -6.997 -3.491 -2.699 135 HG22 VAL 24 1HG2 VAL 24 -5.558 -4.474 -3.057 136 HG23 VAL 24 2HG2 VAL 24 -6.082 -4.244 -1.371 137 H LYS 25 H LYS 25 -2.636 -1.767 0.438 138 HA LYS 25 HA LYS 25 -2.593 1.079 -0.287 139 HB3 LYS 25 2HB LYS 25 -1.235 1.130 2.016 140 HG3 LYS 25 2HG LYS 25 -4.203 1.022 2.389 141 HD3 LYS 25 2HD LYS 25 -3.256 3.620 2.790 142 HE3 LYS 25 2HE LYS 25 -4.105 1.329 4.399 143 HZ1 LYS 25 3HZ LYS 25 -2.697 1.439 6.073 144 HZ2 LYS 25 1HZ LYS 25 -1.680 2.308 5.135 145 HZ3 LYS 25 2HZ LYS 25 -2.725 3.072 6.129 146 H ILE 26 H ILE 26 -0.183 1.926 0.120 147 HA ILE 26 HA ILE 26 1.581 -0.105 -1.063 148 HB ILE 26 HB ILE 26 1.356 2.846 -1.643 149 HG13 ILE 26 2HG1 ILE 26 0.080 0.626 -2.778 150 HG21 ILE 26 1HG2 ILE 26 3.313 2.785 -2.910 151 HG22 ILE 26 2HG2 ILE 26 3.742 1.910 -1.420 152 HG23 ILE 26 3HG2 ILE 26 3.377 1.006 -2.909 153 HD11 ILE 26 3HD1 ILE 26 0.579 3.498 -3.626 154 HD12 ILE 26 1HD1 ILE 26 -0.385 2.395 -4.639 155 HD13 ILE 26 2HD1 ILE 26 -0.913 2.772 -2.981 156 H GLU 27 H GLU 27 2.750 -0.830 0.670 157 HA GLU 27 HA GLU 27 3.269 0.355 2.967 158 HB3 GLU 27 2HB GLU 27 5.750 -0.875 2.138 159 HG3 GLU 27 2HG GLU 27 4.369 -2.822 3.482 160 H ASP 28 H ASP 28 5.049 0.943 -0.114 161 HA ASP 28 HA ASP 28 5.556 3.551 0.394 162 HB3 ASP 28 2HB ASP 28 8.270 2.552 0.702 163 H VAL 29 H VAL 29 7.544 4.325 -1.108 164 HA VAL 29 HA VAL 29 8.056 2.362 -3.206 165 HB VAL 29 HB VAL 29 6.100 3.506 -3.967 166 HG11 VAL 29 1HG1 VAL 29 5.858 5.886 -4.109 167 HG12 VAL 29 2HG1 VAL 29 6.374 5.500 -2.450 168 HG13 VAL 29 3HG1 VAL 29 7.548 6.148 -3.620 169 HG21 VAL 29 3HG2 VAL 29 6.835 4.190 -6.081 170 HG22 VAL 29 1HG2 VAL 29 8.335 4.900 -5.438 171 HG23 VAL 29 2HG2 VAL 29 8.148 3.132 -5.510 172 H TRP 30 H TRP 30 10.200 2.308 -3.632 173 HA TRP 30 HA TRP 30 11.701 4.798 -3.247 174 HB3 TRP 30 2HB TRP 30 12.054 3.520 -1.241 175 HD1 TRP 30 HD TRP 30 14.425 1.190 -3.120 176 HE1 TRP 30 1HE TRP 30 13.860 -1.349 -2.672 177 HE3 TRP 30 3HE TRP 30 10.018 2.046 -0.732 178 HZ2 TRP 30 2HZ TRP 30 11.683 -2.685 -1.399 179 HZ3 TRP 30 3HZ TRP 30 8.734 0.070 0.082 180 HH2 TRP 30 HH TRP 30 9.501 -2.231 -0.218 181 H GLY 31 H GLY 31 13.512 4.997 -4.704 182 HA2 GLY 31 1HA GLY 31 14.291 4.854 -6.834 183 HA3 GLY 31 2HA GLY 31 14.713 3.237 -6.309 184 H GLU 32 H GLU 32 14.096 1.686 -7.741 185 HA GLU 32 HA GLU 32 11.663 2.227 -9.250 186 HB3 GLU 32 2HB GLU 32 12.555 0.830 -11.008 187 HG3 GLU 32 2HG GLU 32 14.830 2.498 -9.832 188 H ASN 33 H ASN 33 11.559 1.248 -6.529 189 HA ASN 33 HA ASN 33 10.405 -1.355 -7.101 190 HB3 ASN 33 2HB ASN 33 11.254 -2.227 -4.938 191 HD21 ASN 33 1HD2 ASN 33 13.812 0.019 -5.665 192 HD22 ASN 33 2HD2 ASN 33 14.832 -1.043 -6.578 193 H VAL 34 H VAL 34 8.261 -1.378 -6.382 194 HA VAL 34 HA VAL 34 7.513 0.697 -4.444 195 HB VAL 34 HB VAL 34 6.267 -0.426 -6.886 196 HG11 VAL 34 1HG1 VAL 34 4.708 0.179 -4.370 197 HG12 VAL 34 2HG1 VAL 34 3.987 0.373 -5.986 198 HG13 VAL 34 3HG1 VAL 34 4.578 -1.222 -5.461 199 HG21 VAL 34 3HG2 VAL 34 7.219 1.849 -6.797 200 HG22 VAL 34 1HG2 VAL 34 5.473 1.870 -7.142 201 HG23 VAL 34 2HG2 VAL 34 6.063 2.275 -5.511 202 H ALA 35 H ALA 35 6.187 0.133 -2.656 203 HA ALA 35 HA ALA 35 6.148 -2.761 -2.140 204 HB1 ALA 35 3HB ALA 35 7.589 -1.742 -0.561 205 HB2 ALA 35 1HB ALA 35 6.516 -0.336 -0.359 206 HB3 ALA 35 2HB ALA 35 6.042 -1.921 0.300 207 H LEU 36 H LEU 36 4.169 -3.694 -2.171 208 HA LEU 36 HA LEU 36 1.868 -1.906 -1.862 209 HB3 LEU 36 2HB LEU 36 0.701 -3.982 -2.899 210 HG LEU 36 HG LEU 36 2.461 -2.056 -4.392 211 HD11 LEU 36 1HD1 LEU 36 2.275 -4.474 -5.453 212 HD12 LEU 36 2HD1 LEU 36 0.677 -3.871 -5.955 213 HD13 LEU 36 3HD1 LEU 36 2.151 -3.003 -6.447 214 HD21 LEU 36 3HD2 LEU 36 -0.096 -1.825 -5.345 215 HD22 LEU 36 1HD2 LEU 36 -0.371 -2.283 -3.648 216 HD23 LEU 36 2HD2 LEU 36 0.610 -0.850 -4.034 217 H THR 37 H THR 37 0.060 -2.607 -0.538 218 HA THR 37 HA THR 37 0.533 -4.864 1.220 219 HB THR 37 HB THR 37 0.041 -3.108 3.176 220 HG1 THR 37 1HG THR 37 -0.121 -1.219 1.917 221 HG21 THR 37 3HG2 THR 37 2.807 -2.802 1.987 222 HG22 THR 37 1HG2 THR 37 2.338 -3.053 3.685 223 HG23 THR 37 2HG2 THR 37 2.300 -4.416 2.541 224 H TRP 38 H TRP 38 -1.293 -5.975 0.869 225 HA TRP 38 HA TRP 38 -3.787 -4.416 0.937 226 HB3 TRP 38 2HB TRP 38 -3.434 -5.340 -1.253 227 HD1 TRP 38 HD TRP 38 -4.481 -8.788 0.010 228 HE1 TRP 38 1HE TRP 38 -2.773 -10.661 -0.724 229 HE3 TRP 38 3HE TRP 38 -0.929 -5.597 -1.738 230 HZ2 TRP 38 2HZ TRP 38 -0.186 -10.599 -1.927 231 HZ3 TRP 38 3HZ TRP 38 1.159 -6.586 -2.676 232 HH2 TRP 38 HH TRP 38 1.560 -8.994 -2.787 233 H THR 39 H THR 39 -5.578 -5.438 2.105 234 HA THR 39 HA THR 39 -4.590 -7.083 4.300 235 HB THR 39 HB THR 39 -6.999 -6.465 5.133 236 HG1 THR 39 1HG THR 39 -7.852 -4.675 3.841 237 HG21 THR 39 3HG2 THR 39 -4.998 -4.239 4.473 238 HG22 THR 39 1HG2 THR 39 -6.363 -4.077 5.604 239 HG23 THR 39 2HG2 THR 39 -5.030 -5.197 5.971 240 HA PRO 40 HA PRO 40 -6.514 -10.689 3.003 241 HB3 PRO 40 2HB PRO 40 -5.625 -11.904 4.745 242 HG3 PRO 40 2HG PRO 40 -5.085 -10.659 6.610 243 HD3 PRO 40 2HD PRO 40 -4.796 -8.590 5.650 244 HA PRO 41 HA PRO 41 -10.723 -10.352 2.599 245 HB3 PRO 41 2HB PRO 41 -10.807 -11.832 0.837 246 HG3 PRO 41 2HG PRO 41 -9.061 -13.338 0.761 247 HD3 PRO 41 2HD PRO 41 -7.466 -12.173 1.937 248 H LYS 42 H LYS 42 -12.714 -10.340 3.636 249 HA LYS 42 HA LYS 42 -12.475 -11.142 6.366 250 HB3 LYS 42 2HB LYS 42 -15.085 -10.387 6.029 251 HG3 LYS 42 2HG LYS 42 -12.876 -8.315 6.153 252 HD3 LYS 42 2HD LYS 42 -14.339 -7.459 8.013 253 HE3 LYS 42 2HE LYS 42 -15.694 -7.932 5.316 254 HZ1 LYS 42 3HZ LYS 42 -17.366 -6.711 6.047 255 HZ2 LYS 42 1HZ LYS 42 -16.850 -7.004 7.567 256 HZ3 LYS 42 2HZ LYS 42 -16.406 -5.629 6.806 257 H ASP 43 H ASP 43 -13.118 -12.817 3.513 258 HA ASP 43 HA ASP 43 -14.358 -14.907 5.077 259 HB3 ASP 43 2HB ASP 43 -15.357 -14.480 2.264 260 H ASP 44 H ASP 44 -12.963 -16.651 4.786 261 HA ASP 44 HA ASP 44 -12.027 -17.141 2.095 262 HB3 ASP 44 2HB ASP 44 -10.115 -16.015 2.984 263 H GLY 45 H GLY 45 -13.406 -19.024 2.052 264 HA2 GLY 45 1HA GLY 45 -12.378 -21.358 3.326 265 HA3 GLY 45 2HA GLY 45 -13.859 -20.819 4.094 266 H ASN 46 H ASN 46 -15.179 -19.673 1.780 267 HA ASN 46 HA ASN 46 -16.544 -21.801 0.864 268 HB3 ASN 46 2HB ASN 46 -17.411 -20.314 -0.885 269 HD21 ASN 46 1HD2 ASN 46 -19.052 -19.966 0.476 270 HD22 ASN 46 2HD2 ASN 46 -19.100 -18.754 1.712 271 H ALA 47 H ALA 47 -13.775 -20.051 -0.729 272 HA ALA 47 HA ALA 47 -13.246 -22.497 -2.260 273 HB1 ALA 47 3HB ALA 47 -12.926 -21.259 -4.262 274 HB2 ALA 47 1HB ALA 47 -14.440 -20.628 -3.572 275 HB3 ALA 47 2HB ALA 47 -12.929 -19.702 -3.398 276 H ALA 48 H ALA 48 -11.366 -23.254 -1.417 277 HA ALA 48 HA ALA 48 -9.602 -21.998 0.158 278 HB1 ALA 48 3HB ALA 48 -9.179 -24.101 -1.991 279 HB2 ALA 48 1HB ALA 48 -7.896 -23.623 -0.853 280 HB3 ALA 48 2HB ALA 48 -9.405 -24.341 -0.242 281 H ILE 49 H ILE 49 -8.596 -20.063 -0.032 282 HA ILE 49 HA ILE 49 -8.184 -18.885 -2.584 283 HB ILE 49 HB ILE 49 -7.280 -18.090 0.185 284 HG13 ILE 49 2HG1 ILE 49 -9.556 -17.917 0.338 285 HG21 ILE 49 1HG2 ILE 49 -7.386 -16.328 -2.269 286 HG22 ILE 49 2HG2 ILE 49 -6.702 -15.958 -0.669 287 HG23 ILE 49 3HG2 ILE 49 -5.906 -17.154 -1.720 288 HD11 ILE 49 3HD1 ILE 49 -10.266 -15.594 -0.169 289 HD12 ILE 49 1HD1 ILE 49 -8.639 -15.620 0.553 290 HD13 ILE 49 2HD1 ILE 49 -8.830 -15.381 -1.200 291 H THR 50 H THR 50 -6.836 -20.166 -3.863 292 HA THR 50 HA THR 50 -4.533 -21.439 -2.990 293 HB THR 50 HB THR 50 -3.984 -21.180 -5.549 294 HG1 THR 50 1HG THR 50 -5.487 -19.908 -6.607 295 HG21 THR 50 3HG2 THR 50 -6.551 -22.381 -4.431 296 HG22 THR 50 1HG2 THR 50 -6.198 -22.454 -6.174 297 HG23 THR 50 2HG2 THR 50 -5.096 -23.228 -5.009 298 H GLY 51 H GLY 51 -4.761 -18.233 -4.681 299 HA2 GLY 51 1HA GLY 51 -2.607 -17.228 -3.024 300 HA3 GLY 51 2HA GLY 51 -2.188 -17.467 -4.708 301 H TYR 52 H TYR 52 -1.885 -15.070 -4.736 302 HA TYR 52 HA TYR 52 -4.442 -13.779 -5.343 303 HB3 TYR 52 2HB TYR 52 -3.445 -11.755 -4.109 304 HD1 TYR 52 1HD TYR 52 -5.672 -12.106 -3.099 305 HD2 TYR 52 2HD TYR 52 -2.282 -14.409 -1.872 306 HE1 TYR 52 1HE TYR 52 -6.921 -12.843 -1.011 307 HE2 TYR 52 2HE TYR 52 -3.542 -15.138 0.213 308 HH TYR 52 HH TYR 52 -6.052 -13.637 1.418 309 H THR 53 H THR 53 -4.390 -12.572 -7.201 310 HA THR 53 HA THR 53 -1.764 -12.339 -8.494 311 HB THR 53 HB THR 53 -4.633 -12.265 -9.573 312 HG1 THR 53 1HG THR 53 -2.362 -14.126 -9.669 313 HG21 THR 53 3HG2 THR 53 -3.095 -10.998 -11.064 314 HG22 THR 53 1HG2 THR 53 -1.916 -12.330 -10.992 315 HG23 THR 53 2HG2 THR 53 -3.489 -12.575 -11.790 316 H ILE 54 H ILE 54 -0.858 -10.414 -9.040 317 HA ILE 54 HA ILE 54 -2.438 -8.048 -8.306 318 HB ILE 54 HB ILE 54 0.527 -8.533 -7.998 319 HG13 ILE 54 2HG1 ILE 54 -1.707 -9.072 -6.275 320 HG21 ILE 54 1HG2 ILE 54 0.832 -6.339 -7.981 321 HG22 ILE 54 2HG2 ILE 54 -0.887 -6.090 -8.369 322 HG23 ILE 54 3HG2 ILE 54 -0.360 -6.170 -6.671 323 HD11 ILE 54 3HD1 ILE 54 0.011 -10.632 -6.137 324 HD12 ILE 54 1HD1 ILE 54 1.285 -9.401 -6.311 325 HD13 ILE 54 2HD1 ILE 54 0.441 -9.596 -4.755 326 H GLN 55 H GLN 55 -2.356 -6.248 -9.702 327 HA GLN 55 HA GLN 55 -0.745 -6.568 -12.077 328 HB3 GLN 55 2HB GLN 55 -2.829 -5.887 -13.463 329 HG3 GLN 55 2HG GLN 55 -3.331 -8.615 -12.334 330 HE21 GLN 55 1HE2 GLN 55 -3.539 -10.143 -14.044 331 HE22 GLN 55 2HE2 GLN 55 -3.964 -9.645 -15.648 332 H LYS 56 H LYS 56 -0.212 -4.558 -13.095 333 HA LYS 56 HA LYS 56 -1.205 -2.199 -11.654 334 HB3 LYS 56 2HB LYS 56 1.168 -2.960 -11.062 335 HG3 LYS 56 2HG LYS 56 1.816 -1.634 -13.726 336 HD3 LYS 56 2HD LYS 56 3.393 -3.096 -11.573 337 HE3 LYS 56 2HE LYS 56 3.924 -2.871 -14.513 338 HZ1 LYS 56 3HZ LYS 56 6.045 -2.517 -12.511 339 HZ2 LYS 56 1HZ LYS 56 6.247 -2.640 -14.127 340 HZ3 LYS 56 2HZ LYS 56 5.499 -1.334 -13.494 341 H ALA 57 H ALA 57 -0.771 -0.129 -13.022 342 HA ALA 57 HA ALA 57 -0.679 -0.569 -15.856 343 HB1 ALA 57 3HB ALA 57 -3.254 0.031 -14.397 344 HB2 ALA 57 1HB ALA 57 -2.985 0.670 -16.037 345 HB3 ALA 57 2HB ALA 57 -2.958 -1.087 -15.751 346 H ASP 58 H ASP 58 0.373 1.153 -16.728 347 HA ASP 58 HA ASP 58 1.225 3.211 -15.098 348 HB3 ASP 58 2HB ASP 58 2.344 4.016 -17.007 349 H LYS 59 H LYS 59 0.779 5.640 -15.563 350 HA LYS 59 HA LYS 59 -2.096 5.986 -15.855 351 HB3 LYS 59 2HB LYS 59 -0.777 8.422 -15.189 352 HG3 LYS 59 2HG LYS 59 -1.840 7.576 -12.848 353 HD3 LYS 59 2HD LYS 59 -2.663 9.251 -14.863 354 HE3 LYS 59 2HE LYS 59 -4.364 6.790 -14.939 355 HZ1 LYS 59 3HZ LYS 59 -5.482 9.086 -14.029 356 HZ2 LYS 59 1HZ LYS 59 -5.843 9.093 -15.622 357 HZ3 LYS 59 2HZ LYS 59 -6.280 7.824 -14.691 358 H LYS 60 H LYS 60 -0.287 5.347 -18.163 359 HA LYS 60 HA LYS 60 -0.413 7.877 -19.620 360 HB3 LYS 60 2HB LYS 60 1.150 6.944 -21.141 361 HG3 LYS 60 2HG LYS 60 3.008 6.242 -19.669 362 HD3 LYS 60 2HD LYS 60 1.342 8.200 -18.049 363 HE3 LYS 60 2HE LYS 60 4.233 7.554 -18.445 364 HZ1 LYS 60 3HZ LYS 60 4.661 9.935 -17.797 365 HZ2 LYS 60 1HZ LYS 60 4.329 9.657 -19.371 366 HZ3 LYS 60 2HZ LYS 60 3.181 10.283 -18.393 367 H SER 61 H SER 61 -1.534 4.451 -19.664 368 HA SER 61 HA SER 61 -3.722 5.365 -21.321 369 HB3 SER 61 2HB SER 61 -3.402 3.008 -22.533 370 HG SER 61 HG SER 61 -3.000 5.427 -23.291 371 H MET 62 H MET 62 -2.975 4.358 -18.434 372 HA MET 62 HA MET 62 -3.699 2.934 -16.923 373 HB3 MET 62 2HB MET 62 -6.353 2.725 -17.094 374 HG3 MET 62 2HG MET 62 -5.615 5.616 -17.183 375 HE1 MET 62 3HE MET 62 -6.511 3.363 -13.562 376 HE2 MET 62 1HE MET 62 -7.583 2.518 -14.703 377 HE3 MET 62 2HE MET 62 -5.845 2.658 -15.055 378 H GLU 63 H GLU 63 -2.530 1.444 -18.981 379 HA GLU 63 HA GLU 63 -4.424 -0.661 -19.561 380 HB3 GLU 63 2HB GLU 63 -2.638 -1.533 -21.058 381 HG3 GLU 63 2HG GLU 63 -2.565 1.380 -21.706 382 H TRP 64 H TRP 64 -4.369 -2.686 -18.599 383 HA TRP 64 HA TRP 64 -2.251 -3.059 -16.594 384 HB3 TRP 64 2HB TRP 64 -3.759 -4.157 -15.217 385 HD1 TRP 64 HD TRP 64 -6.183 -2.084 -17.479 386 HE1 TRP 64 1HE TRP 64 -7.160 -0.028 -16.143 387 HE3 TRP 64 3HE TRP 64 -3.476 -2.875 -13.247 388 HZ2 TRP 64 2HZ TRP 64 -6.700 1.014 -13.526 389 HZ3 TRP 64 3HZ TRP 64 -3.800 -1.292 -11.349 390 HH2 TRP 64 HH TRP 64 -5.346 0.599 -11.439 391 H PHE 65 H PHE 65 -1.373 -5.248 -16.405 392 HA PHE 65 HA PHE 65 -2.021 -7.012 -18.635 393 HB3 PHE 65 2HB PHE 65 0.777 -7.176 -18.291 394 HD1 PHE 65 2HD PHE 65 -0.426 -4.102 -19.891 395 HD2 PHE 65 1HD PHE 65 0.503 -8.203 -20.455 396 HE1 PHE 65 2HE PHE 65 -0.491 -3.774 -22.379 397 HE2 PHE 65 1HE PHE 65 0.439 -7.876 -22.942 398 HZ PHE 65 HZ PHE 65 -0.057 -5.666 -23.875 399 H THR 66 H THR 66 0.758 -7.065 -16.345 400 HA THR 66 HA THR 66 -0.477 -8.765 -14.459 401 HB THR 66 HB THR 66 0.943 -9.993 -16.833 402 HG1 THR 66 1HG THR 66 -1.127 -10.768 -16.796 403 HG21 THR 66 3HG2 THR 66 1.244 -12.080 -15.453 404 HG22 THR 66 1HG2 THR 66 2.327 -10.771 -14.923 405 HG23 THR 66 2HG2 THR 66 0.856 -11.140 -13.992 406 H VAL 67 H VAL 67 0.825 -9.116 -12.644 407 HA VAL 67 HA VAL 67 3.498 -7.915 -12.849 408 HB VAL 67 HB VAL 67 1.361 -7.492 -10.758 409 HG11 VAL 67 1HG1 VAL 67 4.236 -7.550 -10.427 410 HG12 VAL 67 2HG1 VAL 67 3.605 -5.913 -10.125 411 HG13 VAL 67 3HG1 VAL 67 2.959 -7.298 -9.213 412 HG21 VAL 67 3HG2 VAL 67 1.363 -6.091 -12.869 413 HG22 VAL 67 1HG2 VAL 67 1.482 -5.184 -11.343 414 HG23 VAL 67 2HG2 VAL 67 2.934 -5.441 -12.341 415 H ILE 68 H ILE 68 1.242 -10.129 -11.104 416 HA ILE 68 HA ILE 68 3.356 -12.043 -10.853 417 HB ILE 68 HB ILE 68 3.483 -10.273 -8.904 418 HG13 ILE 68 2HG1 ILE 68 3.888 -13.240 -8.896 419 HG21 ILE 68 1HG2 ILE 68 1.180 -10.414 -8.188 420 HG22 ILE 68 2HG2 ILE 68 1.325 -12.172 -7.941 421 HG23 ILE 68 3HG2 ILE 68 2.242 -11.048 -6.909 422 HD11 ILE 68 3HD1 ILE 68 5.680 -12.164 -9.942 423 HD12 ILE 68 1HD1 ILE 68 5.530 -10.707 -8.930 424 HD13 ILE 68 2HD1 ILE 68 6.248 -12.191 -8.255 425 H GLU 69 H GLU 69 2.536 -14.156 -10.315 426 HA GLU 69 HA GLU 69 -0.346 -14.276 -10.049 427 HB3 GLU 69 2HB GLU 69 -0.366 -16.137 -11.801 428 HG3 GLU 69 2HG GLU 69 0.533 -13.920 -13.460 429 H HIS 70 H HIS 70 -1.094 -16.116 -8.891 430 HA HIS 70 HA HIS 70 -0.986 -17.793 -7.482 431 HB3 HIS 70 2HB HIS 70 0.339 -19.665 -7.961 432 HD1 HIS 70 1HD HIS 70 -1.345 -20.588 -9.601 433 HD2 HIS 70 2HD HIS 70 1.006 -17.532 -11.251 434 HE1 HIS 70 1HE HIS 70 -1.915 -20.511 -12.086 435 H TYR 71 H TYR 71 -0.425 -15.565 -6.240 436 HA TYR 71 HA TYR 71 2.177 -15.858 -4.935 437 HB3 TYR 71 2HB TYR 71 0.167 -13.674 -4.342 438 HD1 TYR 71 1HD TYR 71 3.404 -13.848 -6.232 439 HD2 TYR 71 2HD TYR 71 1.347 -12.445 -2.753 440 HE1 TYR 71 1HE TYR 71 5.480 -12.568 -5.511 441 HE2 TYR 71 2HE TYR 71 3.429 -11.172 -2.044 442 HH TYR 71 HH TYR 71 5.849 -10.426 -4.036 443 H HIS 72 H HIS 72 2.146 -15.276 -2.494 444 HA HIS 72 HA HIS 72 -0.227 -16.485 -1.276 445 HB3 HIS 72 2HB HIS 72 2.385 -16.930 0.057 446 HD1 HIS 72 1HD HIS 72 -0.146 -19.294 -1.578 447 HD2 HIS 72 2HD HIS 72 1.224 -18.159 2.220 448 HE1 HIS 72 1HE HIS 72 -1.284 -20.855 0.088 449 H ARG 73 H ARG 73 2.859 -14.754 -0.411 450 HA ARG 73 HA ARG 73 2.057 -13.646 1.874 451 HB3 ARG 73 2HB ARG 73 3.475 -11.569 0.498 452 HG3 ARG 73 2HG ARG 73 5.462 -12.971 1.679 453 HD3 ARG 73 2HD ARG 73 3.656 -11.953 3.771 454 HE ARG 73 HE ARG 73 6.048 -10.471 2.913 455 HH11 ARG 73 2HH2 ARG 73 4.816 -13.165 4.812 456 HH12 ARG 73 1HH2 ARG 73 6.208 -13.244 5.839 457 HH21 ARG 73 2HH1 ARG 73 7.885 -10.575 4.269 458 HH22 ARG 73 1HH1 ARG 73 7.966 -11.760 5.528 459 H THR 74 H THR 74 1.642 -11.113 2.222 460 HA THR 74 HA THR 74 -0.632 -10.422 0.491 461 HB THR 74 HB THR 74 -1.208 -8.988 2.569 462 HG1 THR 74 1HG THR 74 0.972 -9.070 3.459 463 HG21 THR 74 3HG2 THR 74 -0.861 -11.873 3.429 464 HG22 THR 74 1HG2 THR 74 -2.242 -10.782 3.700 465 HG23 THR 74 2HG2 THR 74 -1.980 -11.506 2.094 466 H SER 75 H SER 75 2.609 -9.820 0.708 467 HA SER 75 HA SER 75 2.163 -7.171 -0.393 468 HB3 SER 75 2HB SER 75 3.127 -6.258 1.446 469 HG SER 75 HG SER 75 4.547 -8.614 2.235 470 H ALA 76 H ALA 76 3.645 -6.603 -2.095 471 HA ALA 76 HA ALA 76 5.739 -8.513 -2.720 472 HB1 ALA 76 3HB ALA 76 4.911 -8.925 -4.967 473 HB2 ALA 76 1HB ALA 76 3.642 -9.371 -3.801 474 HB3 ALA 76 2HB ALA 76 3.526 -7.838 -4.700 475 H THR 77 H THR 77 7.496 -7.504 -3.656 476 HA THR 77 HA THR 77 7.288 -4.617 -3.908 477 HB THR 77 HB THR 77 9.648 -6.569 -4.018 478 HG1 THR 77 1HG THR 77 8.406 -6.369 -1.974 479 HG21 THR 77 3HG2 THR 77 10.054 -3.775 -3.116 480 HG22 THR 77 1HG2 THR 77 11.047 -4.755 -4.221 481 HG23 THR 77 2HG2 THR 77 9.618 -3.892 -4.837 482 H ILE 78 H ILE 78 6.727 -3.677 -5.759 483 HA ILE 78 HA ILE 78 6.786 -5.165 -8.189 484 HB ILE 78 HB ILE 78 6.238 -2.229 -7.745 485 HG13 ILE 78 2HG1 ILE 78 4.022 -2.690 -7.244 486 HG21 ILE 78 1HG2 ILE 78 4.872 -2.485 -9.809 487 HG22 ILE 78 2HG2 ILE 78 6.617 -2.719 -10.069 488 HG23 ILE 78 3HG2 ILE 78 5.530 -4.128 -9.998 489 HD11 ILE 78 3HD1 ILE 78 3.362 -4.232 -8.948 490 HD12 ILE 78 1HD1 ILE 78 4.565 -5.437 -8.432 491 HD13 ILE 78 2HD1 ILE 78 3.138 -5.115 -7.419 492 H THR 79 H THR 79 7.984 -4.576 -10.138 493 HA THR 79 HA THR 79 10.390 -2.985 -9.622 494 HB THR 79 HB THR 79 11.588 -4.936 -10.928 495 HG1 THR 79 1HG THR 79 9.149 -6.100 -9.774 496 HG21 THR 79 3HG2 THR 79 12.182 -4.693 -8.593 497 HG22 THR 79 1HG2 THR 79 10.559 -5.194 -8.062 498 HG23 THR 79 2HG2 THR 79 11.666 -6.386 -8.782 499 H GLU 80 H GLU 80 11.663 -2.853 -11.868 500 HA GLU 80 HA GLU 80 11.669 -1.970 -13.850 501 HB3 GLU 80 2HB GLU 80 9.768 -2.794 -15.476 502 HG3 GLU 80 2HG GLU 80 11.458 -4.935 -14.115 503 H LEU 81 H LEU 81 11.010 -0.046 -12.265 504 HA LEU 81 HA LEU 81 8.597 1.164 -13.424 505 HB3 LEU 81 2HB LEU 81 8.396 2.380 -11.238 506 HG LEU 81 HG LEU 81 8.113 -0.634 -11.163 507 HD11 LEU 81 1HD1 LEU 81 7.403 -0.593 -9.047 508 HD12 LEU 81 2HD1 LEU 81 8.203 0.993 -8.940 509 HD13 LEU 81 3HD1 LEU 81 6.461 0.897 -9.293 510 HD21 LEU 81 3HD2 LEU 81 5.657 -0.010 -11.373 511 HD22 LEU 81 1HD2 LEU 81 6.213 1.624 -11.808 512 HD23 LEU 81 2HD2 LEU 81 6.672 0.230 -12.816 513 H VAL 82 H VAL 82 8.751 3.336 -14.064 514 HA VAL 82 HA VAL 82 11.505 4.249 -14.331 515 HB VAL 82 HB VAL 82 8.920 5.138 -15.627 516 HG11 VAL 82 1HG1 VAL 82 9.985 6.981 -16.285 517 HG12 VAL 82 2HG1 VAL 82 11.456 6.469 -15.426 518 HG13 VAL 82 3HG1 VAL 82 11.194 5.972 -17.115 519 HG21 VAL 82 3HG2 VAL 82 9.731 2.855 -16.254 520 HG22 VAL 82 1HG2 VAL 82 9.701 4.008 -17.611 521 HG23 VAL 82 2HG2 VAL 82 11.245 3.596 -16.825 522 H ILE 83 H ILE 83 12.304 6.059 -13.316 523 HA ILE 83 HA ILE 83 10.685 7.122 -11.195 524 HB ILE 83 HB ILE 83 13.513 7.714 -12.076 525 HG13 ILE 83 2HG1 ILE 83 13.106 5.373 -11.351 526 HG21 ILE 83 1HG2 ILE 83 11.948 9.335 -10.527 527 HG22 ILE 83 2HG2 ILE 83 12.725 8.301 -9.304 528 HG23 ILE 83 3HG2 ILE 83 13.724 9.235 -10.444 529 HD11 ILE 83 3HD1 ILE 83 15.261 5.633 -10.688 530 HD12 ILE 83 1HD1 ILE 83 14.961 7.302 -10.148 531 HD13 ILE 83 2HD1 ILE 83 14.625 5.939 -9.055 532 H GLY 84 H GLY 84 9.429 8.906 -11.292 533 HA2 GLY 84 1HA GLY 84 9.267 11.227 -11.879 534 HA3 GLY 84 2HA GLY 84 10.016 10.868 -13.422 535 H ASN 85 H ASN 85 7.510 8.850 -11.810 536 HA ASN 85 HA ASN 85 5.426 9.953 -13.371 537 HB3 ASN 85 2HB ASN 85 5.036 7.467 -14.360 538 HD21 ASN 85 1HD2 ASN 85 8.048 8.319 -15.657 539 HD22 ASN 85 2HD2 ASN 85 7.529 9.324 -16.969 540 H GLU 86 H GLU 86 3.409 8.229 -13.130 541 HA GLU 86 HA GLU 86 3.672 7.056 -10.472 542 HB3 GLU 86 2HB GLU 86 2.346 9.087 -10.267 543 HG3 GLU 86 2HG GLU 86 0.054 8.265 -11.897 544 H TYR 87 H TYR 87 1.877 5.345 -10.058 545 HA TYR 87 HA TYR 87 0.835 4.116 -12.454 546 HB3 TYR 87 2HB TYR 87 2.044 1.946 -11.785 547 HD1 TYR 87 1HD TYR 87 4.674 4.434 -11.129 548 HD2 TYR 87 2HD TYR 87 2.638 2.180 -14.142 549 HE1 TYR 87 1HE TYR 87 6.499 5.009 -12.804 550 HE2 TYR 87 2HE TYR 87 4.469 2.763 -15.806 551 HH TYR 87 HH TYR 87 7.108 3.418 -15.420 552 H TYR 88 H TYR 88 -0.610 2.256 -11.930 553 HA TYR 88 HA TYR 88 -1.698 2.598 -9.221 554 HB3 TYR 88 2HB TYR 88 -3.690 1.436 -10.612 555 HD1 TYR 88 1HD TYR 88 -3.997 3.466 -8.824 556 HD2 TYR 88 2HD TYR 88 -3.320 3.914 -13.025 557 HE1 TYR 88 1HE TYR 88 -5.046 5.780 -8.753 558 HE2 TYR 88 2HE TYR 88 -4.372 6.226 -12.940 559 HH TYR 88 HH TYR 88 -5.433 7.675 -11.730 560 H PHE 89 H PHE 89 -3.015 0.517 -8.538 561 HA PHE 89 HA PHE 89 -1.884 -1.939 -9.487 562 HB3 PHE 89 2HB PHE 89 -0.921 -2.493 -7.227 563 HD1 PHE 89 2HD PHE 89 0.861 -2.538 -9.024 564 HD2 PHE 89 1HD PHE 89 -0.096 0.977 -6.848 565 HE1 PHE 89 2HE PHE 89 3.064 -1.531 -9.682 566 HE2 PHE 89 1HE PHE 89 2.107 1.985 -7.506 567 HZ PHE 89 HZ PHE 89 3.660 0.719 -8.916 568 H ARG 90 H ARG 90 -3.082 -3.786 -8.774 569 HA ARG 90 HA ARG 90 -5.155 -3.319 -6.859 570 HB3 ARG 90 2HB ARG 90 -6.220 -2.581 -8.987 571 HG3 ARG 90 2HG ARG 90 -6.120 -5.389 -10.060 572 HD3 ARG 90 2HD ARG 90 -5.671 -3.071 -11.842 573 HE ARG 90 HE ARG 90 -8.027 -4.830 -12.058 574 HH11 ARG 90 2HH2 ARG 90 -4.621 -4.385 -12.823 575 HH12 ARG 90 1HH2 ARG 90 -4.634 -5.522 -14.130 576 HH21 ARG 90 2HH1 ARG 90 -8.046 -6.329 -13.782 577 HH22 ARG 90 1HH1 ARG 90 -6.596 -6.635 -14.679 578 H VAL 91 H VAL 91 -5.537 -5.219 -5.699 579 HA VAL 91 HA VAL 91 -4.157 -7.594 -6.687 580 HB VAL 91 HB VAL 91 -5.197 -6.778 -3.970 581 HG11 VAL 91 1HG1 VAL 91 -5.433 -9.225 -4.348 582 HG12 VAL 91 2HG1 VAL 91 -3.691 -9.310 -4.704 583 HG13 VAL 91 3HG1 VAL 91 -4.245 -8.826 -3.083 584 HG21 VAL 91 3HG2 VAL 91 -3.235 -5.586 -4.242 585 HG22 VAL 91 1HG2 VAL 91 -2.624 -7.093 -3.521 586 HG23 VAL 91 2HG2 VAL 91 -2.493 -6.829 -5.276 587 H PHE 92 H PHE 92 -5.218 -9.652 -6.784 588 HA PHE 92 HA PHE 92 -8.146 -9.422 -6.793 589 HB3 PHE 92 2HB PHE 92 -7.722 -11.358 -8.606 590 HD1 PHE 92 1HD PHE 92 -9.648 -9.890 -9.253 591 HD2 PHE 92 2HD PHE 92 -5.614 -8.705 -9.835 592 HE1 PHE 92 1HE PHE 92 -10.397 -8.147 -10.897 593 HE2 PHE 92 2HE PHE 92 -6.363 -6.962 -11.479 594 HZ PHE 92 HZ PHE 92 -8.746 -6.704 -11.990 595 H SER 93 H SER 93 -9.329 -11.160 -5.928 596 HA SER 93 HA SER 93 -7.726 -12.900 -4.287 597 HB3 SER 93 2HB SER 93 -9.986 -13.535 -3.312 598 HG SER 93 HG SER 93 -9.570 -10.672 -3.438 599 H GLU 94 H GLU 94 -6.975 -14.710 -5.358 600 HA GLU 94 HA GLU 94 -8.663 -15.880 -7.374 601 HB3 GLU 94 2HB GLU 94 -6.515 -17.492 -7.402 602 HG3 GLU 94 2HG GLU 94 -7.146 -16.026 -9.276 603 H ASN 95 H ASN 95 -8.624 -18.461 -7.371 604 HA ASN 95 HA ASN 95 -8.392 -19.812 -4.996 605 HB3 ASN 95 2HB ASN 95 -10.351 -18.363 -4.300 606 HD21 ASN 95 1HD2 ASN 95 -10.545 -17.614 -6.827 607 HD22 ASN 95 2HD2 ASN 95 -12.124 -17.877 -7.488 608 H MET 96 H MET 96 -10.555 -21.715 -5.307 609 HA MET 96 HA MET 96 -9.695 -22.944 -7.733 610 HB3 MET 96 2HB MET 96 -10.070 -24.163 -5.529 611 HG3 MET 96 2HG MET 96 -12.975 -24.430 -5.937 612 HE1 MET 96 3HE MET 96 -13.602 -25.381 -2.423 613 HE2 MET 96 1HE MET 96 -14.365 -24.376 -3.679 614 HE3 MET 96 2HE MET 96 -13.640 -25.944 -4.112 615 H CYS 97 H CYS 97 -10.834 -20.770 -8.725 616 HA CYS 97 HA CYS 97 -13.148 -21.801 -10.040 617 HB3 CYS 97 2HB CYS 97 -14.007 -19.212 -9.187 618 HG CYS 97 HG CYS 97 -15.376 -21.293 -10.264 619 H GLY 98 H GLY 98 -11.895 -18.470 -9.279 620 HA2 GLY 98 1HA GLY 98 -10.237 -18.154 -11.481 621 HA3 GLY 98 2HA GLY 98 -11.844 -17.687 -12.003 622 H LEU 99 H LEU 99 -9.811 -15.774 -11.945 623 HA LEU 99 HA LEU 99 -9.507 -14.385 -9.575 624 HB3 LEU 99 2HB LEU 99 -9.071 -12.431 -11.130 625 HG LEU 99 HG LEU 99 -7.455 -14.619 -10.630 626 HD11 LEU 99 1HD1 LEU 99 -8.243 -15.355 -13.003 627 HD12 LEU 99 2HD1 LEU 99 -7.094 -14.119 -13.567 628 HD13 LEU 99 3HD1 LEU 99 -6.523 -15.472 -12.562 629 HD21 LEU 99 3HD2 LEU 99 -5.652 -13.172 -11.094 630 HD22 LEU 99 1HD2 LEU 99 -6.594 -12.246 -12.288 631 HD23 LEU 99 2HD2 LEU 99 -6.985 -12.123 -10.556 632 H SER 100 H SER 100 -10.428 -12.112 -9.139 633 HA SER 100 HA SER 100 -13.242 -12.436 -9.000 634 HB3 SER 100 2HB SER 100 -11.180 -10.641 -7.843 635 HG SER 100 HG SER 100 -12.411 -8.868 -7.603 636 H GLU 101 H GLU 101 -14.720 -10.471 -9.585 637 HA GLU 101 HA GLU 101 -14.406 -10.018 -12.330 638 HB3 GLU 101 2HB GLU 101 -16.322 -8.181 -11.288 639 HG3 GLU 101 2HG GLU 101 -17.644 -10.600 -11.926 640 H ASP 102 H ASP 102 -13.253 -8.382 -9.476 641 HA ASP 102 HA ASP 102 -12.035 -6.419 -11.156 642 HB3 ASP 102 2HB ASP 102 -13.859 -5.614 -8.840 643 H ALA 103 H ALA 103 -10.582 -4.926 -9.576 644 HA ALA 103 HA ALA 103 -9.774 -6.509 -7.244 645 HB1 ALA 103 3HB ALA 103 -8.207 -7.110 -8.966 646 HB2 ALA 103 1HB ALA 103 -8.026 -5.416 -9.479 647 HB3 ALA 103 2HB ALA 103 -7.388 -5.941 -7.902 648 H THR 104 H THR 104 -9.385 -5.293 -5.420 649 HA THR 104 HA THR 104 -10.237 -2.604 -5.418 650 HB THR 104 HB THR 104 -8.805 -4.414 -3.410 651 HG1 THR 104 1HG THR 104 -11.489 -3.260 -3.711 652 HG21 THR 104 3HG2 THR 104 -8.739 -2.705 -1.888 653 HG22 THR 104 1HG2 THR 104 -8.983 -1.591 -3.254 654 HG23 THR 104 2HG2 THR 104 -10.383 -2.182 -2.326 655 H MET 105 H MET 105 -9.163 -1.149 -6.662 656 HA MET 105 HA MET 105 -6.308 -1.218 -6.704 657 HB3 MET 105 2HB MET 105 -8.366 0.743 -7.864 658 HG3 MET 105 2HG MET 105 -5.850 0.610 -9.309 659 HE1 MET 105 3HE MET 105 -7.824 3.215 -10.791 660 HE2 MET 105 1HE MET 105 -6.045 3.189 -10.864 661 HE3 MET 105 2HE MET 105 -6.956 1.660 -10.830 662 H THR 106 H THR 106 -4.871 0.316 -5.796 663 HA THR 106 HA THR 106 -5.536 1.391 -3.346 664 HB THR 106 HB THR 106 -3.363 2.675 -3.712 665 HG1 THR 106 1HG THR 106 -3.971 2.859 -6.097 666 HG21 THR 106 3HG2 THR 106 -3.741 -0.212 -3.853 667 HG22 THR 106 1HG2 THR 106 -2.385 0.262 -4.903 668 HG23 THR 106 2HG2 THR 106 -2.365 0.691 -3.176 669 H LYS 107 H LYS 107 -6.720 3.056 -2.657 670 HA LYS 107 HA LYS 107 -8.296 4.577 -4.212 671 HB3 LYS 107 2HB LYS 107 -7.448 6.205 -2.013 672 HG3 LYS 107 2HG LYS 107 -9.709 4.863 -1.187 673 HD3 LYS 107 2HD LYS 107 -10.054 6.910 -3.369 674 HE3 LYS 107 2HE LYS 107 -11.295 7.927 -1.219 675 HZ1 LYS 107 3HZ LYS 107 -12.236 6.943 -3.320 676 HZ2 LYS 107 1HZ LYS 107 -12.444 5.554 -2.486 677 HZ3 LYS 107 2HZ LYS 107 -13.206 6.917 -2.007 678 H GLU 108 H GLU 108 -4.816 4.973 -3.647 679 HA GLU 108 HA GLU 108 -4.929 7.204 -5.519 680 HB3 GLU 108 2HB GLU 108 -4.432 7.966 -3.169 681 HG3 GLU 108 2HG GLU 108 -1.855 6.381 -3.592 682 H SER 109 H SER 109 -2.375 7.585 -6.244 683 HA SER 109 HA SER 109 -1.583 4.933 -7.145 684 HB3 SER 109 2HB SER 109 -2.127 6.326 -9.021 685 HG SER 109 HG SER 109 -0.228 8.332 -8.591 686 H ALA 110 H ALA 110 0.944 4.884 -7.683 687 HA ALA 110 HA ALA 110 2.288 6.037 -5.338 688 HB1 ALA 110 3HB ALA 110 3.317 4.039 -5.046 689 HB2 ALA 110 1HB ALA 110 2.027 3.395 -6.088 690 HB3 ALA 110 2HB ALA 110 3.604 3.827 -6.790 691 H VAL 111 H VAL 111 3.647 7.699 -5.755 692 HA VAL 111 HA VAL 111 4.458 8.121 -8.511 693 HB VAL 111 HB VAL 111 4.649 9.790 -5.999 694 HG11 VAL 111 1HG1 VAL 111 6.073 11.186 -7.000 695 HG12 VAL 111 2HG1 VAL 111 6.271 9.977 -8.291 696 HG13 VAL 111 3HG1 VAL 111 5.054 11.264 -8.457 697 HG21 VAL 111 3HG2 VAL 111 3.124 11.172 -7.819 698 HG22 VAL 111 1HG2 VAL 111 2.655 9.486 -8.145 699 HG23 VAL 111 2HG2 VAL 111 2.487 10.156 -6.504 700 H ILE 112 H ILE 112 6.378 7.410 -9.270 701 HA ILE 112 HA ILE 112 8.240 6.221 -7.479 702 HB ILE 112 HB ILE 112 8.536 6.839 -10.419 703 HG13 ILE 112 2HG1 ILE 112 7.646 4.607 -10.845 704 HG21 ILE 112 1HG2 ILE 112 10.162 5.069 -10.446 705 HG22 ILE 112 2HG2 ILE 112 10.614 6.242 -9.186 706 HG23 ILE 112 3HG2 ILE 112 9.857 4.696 -8.733 707 HD11 ILE 112 3HD1 ILE 112 8.027 4.282 -8.016 708 HD12 ILE 112 1HD1 ILE 112 6.284 4.137 -8.351 709 HD13 ILE 112 2HD1 ILE 112 7.444 3.079 -9.191 710 H ALA 113 H ALA 113 10.472 6.866 -7.142 711 HA ALA 113 HA ALA 113 11.487 9.306 -8.044 712 HB1 ALA 113 3HB ALA 113 10.692 10.847 -6.613 713 HB2 ALA 113 1HB ALA 113 9.522 9.632 -6.046 714 HB3 ALA 113 2HB ALA 113 11.082 9.821 -5.211 715 H ARG 114 H ARG 114 13.654 9.659 -7.222 716 HA ARG 114 HA ARG 114 14.687 7.218 -6.098 717 HB3 ARG 114 2HB ARG 114 15.951 7.893 -7.996 718 HG3 ARG 114 2HG ARG 114 15.535 10.674 -6.883 719 HD3 ARG 114 2HD ARG 114 17.662 9.956 -8.955 720 HE ARG 114 HE ARG 114 16.373 12.367 -8.594 721 HH11 ARG 114 2HH2 ARG 114 19.666 11.286 -7.982 722 HH12 ARG 114 1HH2 ARG 114 20.364 12.850 -8.241 723 HH21 ARG 114 2HH1 ARG 114 17.294 14.431 -8.935 724 HH22 ARG 114 1HH1 ARG 114 19.006 14.651 -8.786 725 H ASP 115 H ASP 115 14.089 7.453 -3.857 726 HA ASP 115 HA ASP 115 15.921 8.955 -2.362 727 HB3 ASP 115 2HB ASP 115 13.115 9.805 -1.715 728 H GLY 116 H GLY 116 16.175 7.744 -0.462 729 HA2 GLY 116 1HA GLY 116 13.862 6.143 0.449 730 HA3 GLY 116 2HA GLY 116 15.465 5.452 0.289 731 H LYS 117 H LYS 117 13.443 7.784 2.086 732 HA LYS 117 HA LYS 117 15.206 7.455 4.356 733 HB3 LYS 117 2HB LYS 117 16.223 9.370 3.301 734 HG3 LYS 117 2HG LYS 117 13.361 10.396 3.185 735 HD3 LYS 117 2HD LYS 117 15.840 11.908 3.693 736 HE3 LYS 117 2HE LYS 117 15.265 11.972 1.038 737 HZ1 LYS 117 3HZ LYS 117 13.167 12.821 1.040 738 HZ2 LYS 117 1HZ LYS 117 13.379 13.739 2.372 739 HZ3 LYS 117 2HZ LYS 117 14.026 14.207 0.948 740 H ILE 118 H ILE 118 14.116 8.824 6.286 741 HA ILE 118 HA ILE 118 12.381 8.987 7.639 742 HB ILE 118 HB ILE 118 11.615 10.230 5.283 743 HG13 ILE 118 2HG1 ILE 118 11.552 10.784 7.907 744 HG21 ILE 118 1HG2 ILE 118 9.293 8.566 6.294 745 HG22 ILE 118 2HG2 ILE 118 9.246 9.807 5.020 746 HG23 ILE 118 3HG2 ILE 118 10.160 8.301 4.762 747 HD11 ILE 118 3HD1 ILE 118 10.767 12.894 7.282 748 HD12 ILE 118 1HD1 ILE 118 11.260 12.246 5.699 749 HD13 ILE 118 2HD1 ILE 118 9.545 12.224 6.176 750 H TYR 119 H TYR 119 11.314 7.467 8.827 751 HA TYR 119 HA TYR 119 10.035 5.270 7.400 752 HB3 TYR 119 2HB TYR 119 11.317 3.686 8.906 753 HD1 TYR 119 2HD TYR 119 11.601 3.578 6.234 754 HD2 TYR 119 1HD TYR 119 14.270 5.570 8.919 755 HE1 TYR 119 2HE TYR 119 13.466 3.415 4.513 756 HE2 TYR 119 1HE TYR 119 16.126 5.400 7.189 757 HH TYR 119 HH TYR 119 16.157 5.226 4.597 758 H LYS 120 H LYS 120 8.063 4.896 8.277 759 HA LYS 120 HA LYS 120 6.332 5.166 9.645 760 HB3 LYS 120 2HB LYS 120 7.224 4.437 12.148 761 HG3 LYS 120 2HG LYS 120 7.011 2.048 10.632 762 HD3 LYS 120 2HD LYS 120 4.587 3.529 11.679 763 HE3 LYS 120 2HE LYS 120 4.545 1.119 10.763 764 HZ1 LYS 120 3HZ LYS 120 5.270 -0.328 12.799 765 HZ2 LYS 120 1HZ LYS 120 6.313 0.027 11.593 766 HZ3 LYS 120 2HZ LYS 120 6.366 0.867 12.993 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -2.910 -27.716 19.715 2 HA2 GLY 1 1HA GLY 1 -4.096 -26.132 20.806 3 HA3 GLY 1 2HA GLY 1 -3.535 -24.930 19.660 4 H SER 2 H SER 2 -4.583 -24.928 17.430 5 HA SER 2 HA SER 2 -6.412 -24.588 16.296 6 HB3 SER 2 2HB SER 2 -6.103 -26.995 15.855 7 HG SER 2 HG SER 2 -6.421 -28.296 17.530 8 H SER 3 H SER 3 -7.448 -22.876 17.408 9 HA SER 3 HA SER 3 -8.870 -23.279 19.766 10 HB3 SER 3 2HB SER 3 -9.898 -20.987 19.103 11 HG SER 3 HG SER 3 -7.685 -19.953 19.221 12 H GLY 4 H GLY 4 -11.215 -23.246 20.124 13 HA2 GLY 4 1HA GLY 4 -13.418 -23.169 19.142 14 HA3 GLY 4 2HA GLY 4 -12.788 -24.008 17.738 15 H SER 5 H SER 5 -15.022 -25.027 19.081 16 HA SER 5 HA SER 5 -13.853 -27.450 20.179 17 HB3 SER 5 2HB SER 5 -16.359 -26.141 21.317 18 HG SER 5 HG SER 5 -16.474 -28.115 22.168 19 H SER 6 H SER 6 -17.007 -25.901 19.208 20 HA SER 6 HA SER 6 -17.363 -28.059 17.331 21 HB3 SER 6 2HB SER 6 -19.568 -27.340 19.307 22 HG SER 6 HG SER 6 -20.489 -29.320 18.510 23 H GLY 7 H GLY 7 -18.994 -27.524 15.654 24 HA2 GLY 7 1HA GLY 7 -20.697 -25.590 15.287 25 HA3 GLY 7 2HA GLY 7 -19.240 -24.617 15.331 26 H ALA 8 H ALA 8 -21.056 -27.100 13.544 27 HA ALA 8 HA ALA 8 -20.059 -26.244 11.079 28 HB1 ALA 8 3HB ALA 8 -18.916 -28.598 10.639 29 HB2 ALA 8 1HB ALA 8 -17.991 -27.258 11.359 30 HB3 ALA 8 2HB ALA 8 -18.643 -28.549 12.397 31 H SER 9 H SER 9 -22.312 -26.229 10.659 32 HA SER 9 HA SER 9 -23.301 -28.508 9.516 33 HB3 SER 9 2HB SER 9 -25.277 -28.462 11.517 34 HG SER 9 HG SER 9 -24.629 -30.411 10.561 35 H ILE 10 H ILE 10 -24.408 -25.762 11.633 36 HA ILE 10 HA ILE 10 -26.340 -25.061 9.555 37 HB ILE 10 HB ILE 10 -26.092 -24.175 12.431 38 HG13 ILE 10 2HG1 ILE 10 -27.514 -26.401 11.088 39 HG21 ILE 10 1HG2 ILE 10 -28.656 -23.670 11.221 40 HG22 ILE 10 2HG2 ILE 10 -27.536 -22.543 12.023 41 HG23 ILE 10 3HG2 ILE 10 -27.368 -22.878 10.283 42 HD11 ILE 10 3HD1 ILE 10 -25.778 -26.818 12.779 43 HD12 ILE 10 1HD1 ILE 10 -26.634 -25.778 13.944 44 HD13 ILE 10 2HD1 ILE 10 -27.365 -27.313 13.417 45 H ASP 11 H ASP 11 -24.318 -24.449 8.244 46 HA ASP 11 HA ASP 11 -23.480 -21.780 9.065 47 HB3 ASP 11 2HB ASP 11 -21.574 -22.230 7.374 48 H ILE 12 H ILE 12 -24.916 -20.395 7.960 49 HA ILE 12 HA ILE 12 -26.029 -21.083 5.451 50 HB ILE 12 HB ILE 12 -25.962 -18.538 7.066 51 HG13 ILE 12 2HG1 ILE 12 -27.193 -20.484 8.014 52 HG21 ILE 12 1HG2 ILE 12 -27.416 -17.492 5.566 53 HG22 ILE 12 2HG2 ILE 12 -26.181 -18.235 4.522 54 HG23 ILE 12 3HG2 ILE 12 -27.774 -19.007 4.704 55 HD11 ILE 12 3HD1 ILE 12 -28.075 -17.816 7.663 56 HD12 ILE 12 1HD1 ILE 12 -29.494 -18.833 7.315 57 HD13 ILE 12 2HD1 ILE 12 -28.653 -18.983 8.877 58 H GLN 13 H GLN 13 -24.180 -21.625 4.139 59 HA GLN 13 HA GLN 13 -22.332 -19.481 3.637 60 HB3 GLN 13 2HB GLN 13 -21.887 -22.105 3.798 61 HG3 GLN 13 2HG GLN 13 -22.378 -21.674 0.814 62 HE21 GLN 13 1HE2 GLN 13 -23.114 -24.480 0.712 63 HE22 GLN 13 2HE2 GLN 13 -21.655 -25.410 0.794 64 H ILE 14 H ILE 14 -22.137 -18.337 1.665 65 HA ILE 14 HA ILE 14 -24.273 -18.878 -0.277 66 HB ILE 14 HB ILE 14 -23.279 -16.106 0.249 67 HG13 ILE 14 2HG1 ILE 14 -23.914 -17.043 2.456 68 HG21 ILE 14 1HG2 ILE 14 -24.822 -15.564 -1.248 69 HG22 ILE 14 2HG2 ILE 14 -25.140 -17.297 -1.504 70 HG23 ILE 14 3HG2 ILE 14 -26.088 -16.387 -0.304 71 HD11 ILE 14 3HD1 ILE 14 -25.703 -15.328 2.961 72 HD12 ILE 14 1HD1 ILE 14 -24.300 -14.662 2.091 73 HD13 ILE 14 2HD1 ILE 14 -25.812 -15.000 1.216 74 H ILE 15 H ILE 15 -23.121 -19.940 -1.848 75 HA ILE 15 HA ILE 15 -20.455 -19.471 -2.442 76 HB ILE 15 HB ILE 15 -21.058 -20.589 -4.626 77 HG13 ILE 15 2HG1 ILE 15 -23.459 -19.712 -4.547 78 HG21 ILE 15 1HG2 ILE 15 -21.912 -21.977 -2.072 79 HG22 ILE 15 2HG2 ILE 15 -21.387 -22.755 -3.585 80 HG23 ILE 15 3HG2 ILE 15 -20.235 -21.784 -2.637 81 HD11 ILE 15 3HD1 ILE 15 -24.285 -22.180 -5.262 82 HD12 ILE 15 1HD1 ILE 15 -23.208 -21.209 -6.295 83 HD13 ILE 15 2HD1 ILE 15 -22.531 -22.480 -5.247 84 H ASP 16 H ASP 16 -19.447 -18.386 -4.273 85 HA ASP 16 HA ASP 16 -20.696 -16.823 -6.072 86 HB3 ASP 16 2HB ASP 16 -19.759 -14.733 -4.236 87 H ARG 17 H ARG 17 -19.078 -15.173 -7.060 88 HA ARG 17 HA ARG 17 -16.670 -16.249 -7.427 89 HB3 ARG 17 2HB ARG 17 -16.174 -13.461 -7.584 90 HG3 ARG 17 2HG ARG 17 -16.943 -15.681 -9.417 91 HD3 ARG 17 2HD ARG 17 -17.313 -12.748 -10.198 92 HE ARG 17 HE ARG 17 -16.517 -14.966 -11.830 93 HH11 ARG 17 2HH2 ARG 17 -18.862 -12.342 -11.791 94 HH12 ARG 17 1HH2 ARG 17 -18.981 -12.253 -13.517 95 HH21 ARG 17 2HH1 ARG 17 -16.675 -14.849 -14.106 96 HH22 ARG 17 1HH1 ARG 17 -17.729 -13.688 -14.842 97 HA PRO 18 HA PRO 18 -14.101 -15.175 -4.062 98 HB3 PRO 18 2HB PRO 18 -12.207 -16.063 -5.025 99 HG3 PRO 18 2HG PRO 18 -12.221 -16.089 -7.331 100 HD3 PRO 18 2HD PRO 18 -14.485 -16.068 -7.725 101 H GLY 19 H GLY 19 -14.442 -13.666 -2.572 102 HA2 GLY 19 1HA GLY 19 -15.077 -11.039 -3.282 103 HA3 GLY 19 2HA GLY 19 -14.628 -11.610 -1.687 104 HA PRO 20 HA PRO 20 -11.188 -9.167 -3.732 105 HB3 PRO 20 2HB PRO 20 -12.113 -7.327 -4.760 106 HG3 PRO 20 2HG PRO 20 -14.351 -6.996 -4.310 107 HD3 PRO 20 2HD PRO 20 -14.978 -9.139 -3.762 108 HA PRO 21 HA PRO 21 -9.165 -8.549 -0.049 109 HB3 PRO 21 2HB PRO 21 -7.094 -8.288 -1.023 110 HG3 PRO 21 2HG PRO 21 -7.141 -7.496 -3.188 111 HD3 PRO 21 2HD PRO 21 -9.252 -8.154 -3.818 112 H GLN 22 H GLN 22 -9.280 -7.622 1.964 113 HA GLN 22 HA GLN 22 -11.292 -5.901 2.390 114 HB3 GLN 22 2HB GLN 22 -9.703 -5.237 4.487 115 HG3 GLN 22 2HG GLN 22 -10.765 -8.072 4.108 116 HE21 GLN 22 1HE2 GLN 22 -9.050 -8.520 5.648 117 HE22 GLN 22 2HE2 GLN 22 -9.289 -8.195 7.332 118 H ILE 23 H ILE 23 -7.774 -4.946 2.330 119 HA ILE 23 HA ILE 23 -8.550 -2.461 1.050 120 HB ILE 23 HB ILE 23 -8.552 -2.316 3.657 121 HG13 ILE 23 2HG1 ILE 23 -8.975 -0.347 2.519 122 HG21 ILE 23 1HG2 ILE 23 -6.280 -3.390 3.828 123 HG22 ILE 23 2HG2 ILE 23 -5.602 -1.895 3.141 124 HG23 ILE 23 3HG2 ILE 23 -6.467 -1.847 4.696 125 HD11 ILE 23 3HD1 ILE 23 -7.706 1.318 3.594 126 HD12 ILE 23 1HD1 ILE 23 -7.436 -0.092 4.647 127 HD13 ILE 23 2HD1 ILE 23 -6.195 0.386 3.465 128 H VAL 24 H VAL 24 -6.655 -1.324 0.119 129 HA VAL 24 HA VAL 24 -4.285 -3.024 -0.055 130 HB VAL 24 HB VAL 24 -5.818 -1.889 -2.403 131 HG11 VAL 24 1HG1 VAL 24 -4.116 -3.040 -3.791 132 HG12 VAL 24 2HG1 VAL 24 -3.421 -1.737 -2.796 133 HG13 VAL 24 3HG1 VAL 24 -3.206 -3.438 -2.313 134 HG21 VAL 24 3HG2 VAL 24 -5.396 -4.682 -2.656 135 HG22 VAL 24 1HG2 VAL 24 -6.014 -4.401 -1.010 136 HG23 VAL 24 2HG2 VAL 24 -6.935 -3.819 -2.418 137 H LYS 25 H LYS 25 -2.645 -1.785 0.686 138 HA LYS 25 HA LYS 25 -2.636 1.021 -0.176 139 HB3 LYS 25 2HB LYS 25 -3.307 1.109 2.099 140 HG3 LYS 25 2HG LYS 25 -1.339 -1.134 2.397 141 HD3 LYS 25 2HD LYS 25 -1.105 1.220 4.016 142 HE3 LYS 25 2HE LYS 25 -1.657 -0.920 5.965 143 HZ1 LYS 25 3HZ LYS 25 -2.836 0.963 6.963 144 HZ2 LYS 25 1HZ LYS 25 -1.287 1.322 6.592 145 HZ3 LYS 25 2HZ LYS 25 -2.502 1.875 5.652 146 H ILE 26 H ILE 26 -0.259 1.933 0.270 147 HA ILE 26 HA ILE 26 1.560 -0.125 -0.775 148 HB ILE 26 HB ILE 26 1.436 2.841 -1.318 149 HG13 ILE 26 2HG1 ILE 26 0.121 0.667 -2.534 150 HG21 ILE 26 1HG2 ILE 26 3.376 1.017 -2.684 151 HG22 ILE 26 2HG2 ILE 26 3.449 2.774 -2.414 152 HG23 ILE 26 3HG2 ILE 26 3.769 1.653 -1.070 153 HD11 ILE 26 3HD1 ILE 26 0.696 3.532 -3.404 154 HD12 ILE 26 1HD1 ILE 26 -0.437 2.459 -4.259 155 HD13 ILE 26 2HD1 ILE 26 -0.754 2.925 -2.570 156 H GLU 27 H GLU 27 2.924 -0.828 0.775 157 HA GLU 27 HA GLU 27 3.258 0.302 3.199 158 HB3 GLU 27 2HB GLU 27 5.757 -0.931 2.377 159 HG3 GLU 27 2HG GLU 27 4.447 -2.852 3.775 160 H ASP 28 H ASP 28 5.171 0.899 0.195 161 HA ASP 28 HA ASP 28 5.665 3.511 0.785 162 HB3 ASP 28 2HB ASP 28 8.311 2.178 1.137 163 H VAL 29 H VAL 29 7.817 4.236 -0.614 164 HA VAL 29 HA VAL 29 8.303 2.368 -2.781 165 HB VAL 29 HB VAL 29 6.378 3.421 -3.631 166 HG11 VAL 29 1HG1 VAL 29 5.916 5.772 -3.596 167 HG12 VAL 29 2HG1 VAL 29 6.370 5.292 -1.944 168 HG13 VAL 29 3HG1 VAL 29 7.542 6.144 -2.977 169 HG21 VAL 29 3HG2 VAL 29 8.457 3.332 -5.109 170 HG22 VAL 29 1HG2 VAL 29 7.165 4.446 -5.616 171 HG23 VAL 29 2HG2 VAL 29 8.619 5.080 -4.810 172 H TRP 30 H TRP 30 10.447 2.383 -3.219 173 HA TRP 30 HA TRP 30 11.898 4.867 -2.610 174 HB3 TRP 30 2HB TRP 30 12.401 3.355 -0.843 175 HD1 TRP 30 HD TRP 30 14.763 1.176 -2.748 176 HE1 TRP 30 1HE TRP 30 14.069 -1.370 -2.718 177 HE3 TRP 30 3HE TRP 30 10.075 1.932 -0.928 178 HZ2 TRP 30 2HZ TRP 30 11.693 -2.752 -1.952 179 HZ3 TRP 30 3HZ TRP 30 8.632 -0.069 -0.568 180 HH2 TRP 30 HH TRP 30 9.372 -2.348 -1.048 181 H GLY 31 H GLY 31 13.036 5.637 -4.354 182 HA2 GLY 31 1HA GLY 31 13.644 5.781 -6.530 183 HA3 GLY 31 2HA GLY 31 14.560 4.336 -6.147 184 H GLU 32 H GLU 32 14.249 2.692 -7.574 185 HA GLU 32 HA GLU 32 11.745 2.675 -9.023 186 HB3 GLU 32 2HB GLU 32 12.876 1.225 -10.619 187 HG3 GLU 32 2HG GLU 32 14.931 3.282 -9.698 188 H ASN 33 H ASN 33 11.516 1.943 -6.300 189 HA ASN 33 HA ASN 33 10.779 -0.831 -6.660 190 HB3 ASN 33 2HB ASN 33 11.616 -1.345 -4.325 191 HD21 ASN 33 1HD2 ASN 33 14.021 0.842 -5.624 192 HD22 ASN 33 2HD2 ASN 33 15.065 -0.339 -6.342 193 H VAL 34 H VAL 34 8.674 -1.144 -5.859 194 HA VAL 34 HA VAL 34 7.656 0.932 -4.042 195 HB VAL 34 HB VAL 34 6.548 -0.294 -6.524 196 HG11 VAL 34 1HG1 VAL 34 4.938 0.383 -4.064 197 HG12 VAL 34 2HG1 VAL 34 4.243 0.564 -5.693 198 HG13 VAL 34 3HG1 VAL 34 4.814 -1.029 -5.141 199 HG21 VAL 34 3HG2 VAL 34 7.524 2.047 -6.341 200 HG22 VAL 34 1HG2 VAL 34 5.886 1.934 -7.028 201 HG23 VAL 34 2HG2 VAL 34 6.110 2.462 -5.344 202 H ALA 35 H ALA 35 6.044 0.203 -2.474 203 HA ALA 35 HA ALA 35 6.206 -2.696 -2.005 204 HB1 ALA 35 3HB ALA 35 6.628 -0.345 -0.162 205 HB2 ALA 35 1HB ALA 35 5.992 -1.877 0.486 206 HB3 ALA 35 2HB ALA 35 7.578 -1.843 -0.320 207 H LEU 36 H LEU 36 4.242 -3.661 -2.076 208 HA LEU 36 HA LEU 36 1.911 -1.918 -1.736 209 HB3 LEU 36 2HB LEU 36 0.813 -4.027 -2.835 210 HG LEU 36 HG LEU 36 2.486 -1.991 -4.308 211 HD11 LEU 36 1HD1 LEU 36 1.647 -2.757 -6.412 212 HD12 LEU 36 2HD1 LEU 36 2.416 -4.138 -5.593 213 HD13 LEU 36 3HD1 LEU 36 0.642 -3.998 -5.626 214 HD21 LEU 36 3HD2 LEU 36 -0.024 -1.876 -3.096 215 HD22 LEU 36 1HD2 LEU 36 0.670 -0.711 -4.247 216 HD23 LEU 36 2HD2 LEU 36 -0.368 -2.032 -4.835 217 H THR 37 H THR 37 0.108 -2.672 -0.444 218 HA THR 37 HA THR 37 0.579 -4.987 1.235 219 HB THR 37 HB THR 37 0.091 -3.322 3.259 220 HG1 THR 37 1HG THR 37 1.242 -1.779 1.045 221 HG21 THR 37 3HG2 THR 37 2.425 -3.130 3.709 222 HG22 THR 37 1HG2 THR 37 2.336 -4.574 2.672 223 HG23 THR 37 2HG2 THR 37 2.835 -3.012 1.981 224 H TRP 38 H TRP 38 -1.248 -6.101 0.971 225 HA TRP 38 HA TRP 38 -3.744 -4.550 1.097 226 HB3 TRP 38 2HB TRP 38 -3.375 -5.298 -1.174 227 HD1 TRP 38 HD TRP 38 -4.490 -8.799 -0.071 228 HE1 TRP 38 1HE TRP 38 -2.859 -10.665 -0.979 229 HE3 TRP 38 3HE TRP 38 -0.949 -5.595 -1.814 230 HZ2 TRP 38 2HZ TRP 38 -0.327 -10.593 -2.294 231 HZ3 TRP 38 3HZ TRP 38 1.072 -6.574 -2.897 232 HH2 TRP 38 HH TRP 38 1.414 -8.981 -3.149 233 H THR 39 H THR 39 -5.512 -5.659 2.206 234 HA THR 39 HA THR 39 -4.490 -7.579 4.167 235 HB THR 39 HB THR 39 -6.737 -6.891 5.283 236 HG1 THR 39 1HG THR 39 -7.547 -4.880 4.258 237 HG21 THR 39 3HG2 THR 39 -5.864 -4.364 5.520 238 HG22 THR 39 1HG2 THR 39 -4.971 -5.699 6.286 239 HG23 THR 39 2HG2 THR 39 -4.412 -5.030 4.734 240 HA PRO 40 HA PRO 40 -6.775 -10.838 2.571 241 HB3 PRO 40 2HB PRO 40 -5.822 -12.340 4.033 242 HG3 PRO 40 2HG PRO 40 -5.017 -11.407 5.984 243 HD3 PRO 40 2HD PRO 40 -4.663 -9.245 5.287 244 HA PRO 41 HA PRO 41 -10.966 -10.188 2.652 245 HB3 PRO 41 2HB PRO 41 -11.326 -11.399 0.727 246 HG3 PRO 41 2HG PRO 41 -9.714 -12.985 0.270 247 HD3 PRO 41 2HD PRO 41 -7.931 -12.097 1.420 248 H LYS 42 H LYS 42 -12.845 -10.200 3.879 249 HA LYS 42 HA LYS 42 -12.415 -11.520 6.405 250 HB3 LYS 42 2HB LYS 42 -14.866 -10.293 6.565 251 HG3 LYS 42 2HG LYS 42 -12.346 -8.648 6.838 252 HD3 LYS 42 2HD LYS 42 -13.526 -8.434 9.200 253 HE3 LYS 42 2HE LYS 42 -13.664 -6.951 6.786 254 HZ1 LYS 42 3HZ LYS 42 -16.121 -7.942 7.212 255 HZ2 LYS 42 1HZ LYS 42 -16.210 -6.496 7.967 256 HZ3 LYS 42 2HZ LYS 42 -15.795 -6.571 6.389 257 H ASP 43 H ASP 43 -13.551 -12.497 3.423 258 HA ASP 43 HA ASP 43 -15.655 -14.118 4.585 259 HB3 ASP 43 2HB ASP 43 -16.644 -13.560 2.615 260 H ASP 44 H ASP 44 -15.468 -16.432 4.584 261 HA ASP 44 HA ASP 44 -13.434 -17.700 3.100 262 HB3 ASP 44 2HB ASP 44 -12.029 -16.860 4.942 263 H GLY 45 H GLY 45 -14.906 -19.300 2.424 264 HA2 GLY 45 1HA GLY 45 -15.661 -21.377 4.128 265 HA3 GLY 45 2HA GLY 45 -17.022 -20.280 4.010 266 H ASN 46 H ASN 46 -17.070 -19.355 1.444 267 HA ASN 46 HA ASN 46 -17.488 -21.826 -0.007 268 HB3 ASN 46 2HB ASN 46 -19.473 -20.511 -0.066 269 HD21 ASN 46 1HD2 ASN 46 -19.525 -18.992 1.548 270 HD22 ASN 46 2HD2 ASN 46 -19.150 -17.318 1.310 271 H ALA 47 H ALA 47 -15.631 -22.359 -1.196 272 HA ALA 47 HA ALA 47 -14.103 -22.198 -2.802 273 HB1 ALA 47 3HB ALA 47 -14.265 -19.440 -3.627 274 HB2 ALA 47 1HB ALA 47 -14.750 -20.902 -4.518 275 HB3 ALA 47 2HB ALA 47 -15.911 -20.089 -3.441 276 H ALA 48 H ALA 48 -12.440 -22.472 -1.258 277 HA ALA 48 HA ALA 48 -11.497 -20.455 0.406 278 HB1 ALA 48 3HB ALA 48 -10.168 -22.923 -0.779 279 HB2 ALA 48 1HB ALA 48 -9.455 -21.932 0.517 280 HB3 ALA 48 2HB ALA 48 -10.990 -22.789 0.794 281 H ILE 49 H ILE 49 -9.751 -18.977 0.239 282 HA ILE 49 HA ILE 49 -9.440 -17.833 -2.307 283 HB ILE 49 HB ILE 49 -7.948 -17.424 0.286 284 HG13 ILE 49 2HG1 ILE 49 -10.521 -16.450 -0.809 285 HG21 ILE 49 1HG2 ILE 49 -7.537 -16.288 -2.397 286 HG22 ILE 49 2HG2 ILE 49 -7.713 -15.081 -1.101 287 HG23 ILE 49 3HG2 ILE 49 -6.456 -16.336 -0.983 288 HD11 ILE 49 3HD1 ILE 49 -10.804 -17.566 1.213 289 HD12 ILE 49 1HD1 ILE 49 -9.216 -17.056 1.836 290 HD13 ILE 49 2HD1 ILE 49 -10.574 -15.906 1.814 291 H THR 50 H THR 50 -8.401 -18.800 -3.969 292 HA THR 50 HA THR 50 -6.389 -20.762 -3.524 293 HB THR 50 HB THR 50 -7.491 -19.286 -5.965 294 HG1 THR 50 1HG THR 50 -8.420 -21.485 -6.164 295 HG21 THR 50 3HG2 THR 50 -6.309 -20.840 -7.375 296 HG22 THR 50 1HG2 THR 50 -5.072 -20.210 -6.261 297 HG23 THR 50 2HG2 THR 50 -5.784 -21.816 -5.982 298 H GLY 51 H GLY 51 -6.239 -17.470 -5.052 299 HA2 GLY 51 1HA GLY 51 -3.696 -16.997 -3.746 300 HA3 GLY 51 2HA GLY 51 -3.601 -17.214 -5.482 301 H TYR 52 H TYR 52 -2.834 -14.924 -5.497 302 HA TYR 52 HA TYR 52 -5.128 -13.149 -5.767 303 HB3 TYR 52 2HB TYR 52 -3.827 -11.438 -4.411 304 HD1 TYR 52 2HD TYR 52 -6.165 -12.002 -3.457 305 HD2 TYR 52 1HD TYR 52 -2.594 -14.066 -2.316 306 HE1 TYR 52 2HE TYR 52 -7.304 -12.815 -1.334 307 HE2 TYR 52 1HE TYR 52 -3.746 -14.872 -0.197 308 HH TYR 52 HH TYR 52 -5.661 -14.007 1.248 309 H THR 53 H THR 53 -4.979 -12.464 -7.845 310 HA THR 53 HA THR 53 -2.405 -12.384 -9.143 311 HB THR 53 HB THR 53 -5.310 -11.911 -9.945 312 HG1 THR 53 1HG THR 53 -4.911 -14.060 -10.288 313 HG21 THR 53 3HG2 THR 53 -4.519 -11.709 -12.277 314 HG22 THR 53 1HG2 THR 53 -3.820 -10.386 -11.313 315 HG23 THR 53 2HG2 THR 53 -2.826 -11.801 -11.735 316 H ILE 54 H ILE 54 -1.174 -10.641 -9.687 317 HA ILE 54 HA ILE 54 -2.220 -8.055 -8.765 318 HB ILE 54 HB ILE 54 0.546 -9.225 -8.522 319 HG13 ILE 54 2HG1 ILE 54 -1.683 -9.156 -6.781 320 HG21 ILE 54 1HG2 ILE 54 -0.230 -6.392 -7.810 321 HG22 ILE 54 2HG2 ILE 54 1.390 -7.129 -7.819 322 HG23 ILE 54 3HG2 ILE 54 0.537 -6.836 -9.354 323 HD11 ILE 54 3HD1 ILE 54 1.236 -9.917 -6.644 324 HD12 ILE 54 1HD1 ILE 54 0.272 -9.912 -5.148 325 HD13 ILE 54 2HD1 ILE 54 -0.206 -10.952 -6.512 326 H GLN 55 H GLN 55 -2.276 -6.441 -10.259 327 HA GLN 55 HA GLN 55 -0.600 -6.790 -12.602 328 HB3 GLN 55 2HB GLN 55 -2.391 -6.434 -14.146 329 HG3 GLN 55 2HG GLN 55 -3.590 -8.187 -11.953 330 HE21 GLN 55 1HE2 GLN 55 -3.575 -10.313 -13.956 331 HE22 GLN 55 2HE2 GLN 55 -4.876 -9.998 -15.054 332 H LYS 56 H LYS 56 -0.011 -4.789 -13.653 333 HA LYS 56 HA LYS 56 -0.730 -2.417 -12.074 334 HB3 LYS 56 2HB LYS 56 1.623 -1.637 -12.905 335 HG3 LYS 56 2HG LYS 56 0.680 -3.090 -10.566 336 HD3 LYS 56 2HD LYS 56 3.526 -3.303 -10.282 337 HE3 LYS 56 2HE LYS 56 3.000 -5.672 -9.799 338 HZ1 LYS 56 3HZ LYS 56 2.101 -3.664 -8.415 339 HZ2 LYS 56 1HZ LYS 56 0.653 -4.306 -8.813 340 HZ3 LYS 56 2HZ LYS 56 1.750 -5.205 -8.004 341 H ALA 57 H ALA 57 -0.830 -0.385 -13.285 342 HA ALA 57 HA ALA 57 -0.880 -0.641 -16.170 343 HB1 ALA 57 3HB ALA 57 -3.330 0.127 -14.532 344 HB2 ALA 57 1HB ALA 57 -3.191 0.261 -16.300 345 HB3 ALA 57 2HB ALA 57 -3.142 -1.339 -15.522 346 H ASP 58 H ASP 58 0.201 1.099 -16.937 347 HA ASP 58 HA ASP 58 0.928 3.169 -15.227 348 HB3 ASP 58 2HB ASP 58 1.199 4.108 -17.890 349 H LYS 59 H LYS 59 0.574 5.618 -16.238 350 HA LYS 59 HA LYS 59 -2.310 5.943 -16.279 351 HB3 LYS 59 2HB LYS 59 -0.976 8.446 -16.329 352 HG3 LYS 59 2HG LYS 59 -1.751 8.420 -13.876 353 HD3 LYS 59 2HD LYS 59 -4.259 7.904 -14.662 354 HE3 LYS 59 2HE LYS 59 -2.393 10.164 -15.196 355 HZ1 LYS 59 3HZ LYS 59 -4.183 11.260 -16.475 356 HZ2 LYS 59 1HZ LYS 59 -3.402 10.091 -17.304 357 HZ3 LYS 59 2HZ LYS 59 -4.890 9.804 -16.695 358 H LYS 60 H LYS 60 -0.493 4.907 -18.584 359 HA LYS 60 HA LYS 60 -0.648 6.978 -20.539 360 HB3 LYS 60 2HB LYS 60 0.059 5.139 -22.085 361 HG3 LYS 60 2HG LYS 60 2.284 4.876 -21.100 362 HD3 LYS 60 2HD LYS 60 2.841 7.183 -20.627 363 HE3 LYS 60 2HE LYS 60 0.307 7.492 -22.264 364 HZ1 LYS 60 3HZ LYS 60 1.950 9.294 -21.893 365 HZ2 LYS 60 1HZ LYS 60 3.047 8.426 -22.735 366 HZ3 LYS 60 2HZ LYS 60 1.680 8.943 -23.464 367 H SER 61 H SER 61 -2.438 3.882 -19.921 368 HA SER 61 HA SER 61 -4.768 5.146 -21.017 369 HB3 SER 61 2HB SER 61 -5.110 2.907 -22.410 370 HG SER 61 HG SER 61 -4.802 4.229 -24.059 371 H MET 62 H MET 62 -3.634 4.006 -18.417 372 HA MET 62 HA MET 62 -4.196 2.698 -16.761 373 HB3 MET 62 2HB MET 62 -6.826 2.397 -16.579 374 HG3 MET 62 2HG MET 62 -6.720 5.234 -16.791 375 HE1 MET 62 3HE MET 62 -5.888 1.917 -14.799 376 HE2 MET 62 1HE MET 62 -4.606 3.074 -14.370 377 HE3 MET 62 2HE MET 62 -5.790 2.563 -13.144 378 H GLU 63 H GLU 63 -3.355 1.248 -19.128 379 HA GLU 63 HA GLU 63 -5.166 -0.968 -19.326 380 HB3 GLU 63 2HB GLU 63 -3.483 -1.836 -20.972 381 HG3 GLU 63 2HG GLU 63 -3.557 0.839 -22.049 382 H TRP 64 H TRP 64 -4.935 -2.961 -18.324 383 HA TRP 64 HA TRP 64 -2.632 -3.186 -16.515 384 HB3 TRP 64 2HB TRP 64 -3.983 -4.562 -15.119 385 HD1 TRP 64 HD TRP 64 -6.602 -2.189 -16.765 386 HE1 TRP 64 1HE TRP 64 -7.265 -0.245 -15.109 387 HE3 TRP 64 3HE TRP 64 -3.268 -3.436 -13.133 388 HZ2 TRP 64 2HZ TRP 64 -6.343 0.535 -12.523 389 HZ3 TRP 64 3HZ TRP 64 -3.214 -2.031 -11.075 390 HH2 TRP 64 HH TRP 64 -4.680 -0.105 -10.738 391 H PHE 65 H PHE 65 -1.622 -5.339 -16.351 392 HA PHE 65 HA PHE 65 -2.192 -7.048 -18.659 393 HB3 PHE 65 2HB PHE 65 0.502 -7.314 -18.395 394 HD1 PHE 65 2HD PHE 65 -0.267 -3.789 -18.982 395 HD2 PHE 65 1HD PHE 65 0.081 -7.622 -20.770 396 HE1 PHE 65 2HE PHE 65 -0.247 -2.727 -21.257 397 HE2 PHE 65 1HE PHE 65 0.101 -6.559 -23.045 398 HZ PHE 65 HZ PHE 65 -0.062 -4.125 -23.261 399 H THR 66 H THR 66 0.427 -7.225 -16.195 400 HA THR 66 HA THR 66 -0.726 -8.788 -14.294 401 HB THR 66 HB THR 66 -0.239 -10.256 -16.861 402 HG1 THR 66 1HG THR 66 -2.021 -11.419 -15.819 403 HG21 THR 66 3HG2 THR 66 1.539 -11.228 -15.343 404 HG22 THR 66 1HG2 THR 66 0.281 -11.522 -14.119 405 HG23 THR 66 2HG2 THR 66 0.223 -12.378 -15.679 406 H VAL 67 H VAL 67 0.721 -9.228 -12.674 407 HA VAL 67 HA VAL 67 3.533 -8.767 -13.396 408 HB VAL 67 HB VAL 67 1.817 -7.717 -11.192 409 HG11 VAL 67 1HG1 VAL 67 3.282 -8.456 -9.640 410 HG12 VAL 67 2HG1 VAL 67 4.555 -8.781 -10.842 411 HG13 VAL 67 3HG1 VAL 67 4.304 -7.126 -10.237 412 HG21 VAL 67 3HG2 VAL 67 2.228 -5.847 -12.339 413 HG22 VAL 67 1HG2 VAL 67 3.930 -5.969 -11.831 414 HG23 VAL 67 2HG2 VAL 67 3.410 -6.681 -13.377 415 H ILE 68 H ILE 68 1.179 -10.444 -11.235 416 HA ILE 68 HA ILE 68 2.943 -12.732 -11.224 417 HB ILE 68 HB ILE 68 3.354 -10.984 -9.232 418 HG13 ILE 68 2HG1 ILE 68 3.978 -13.694 -9.812 419 HG21 ILE 68 1HG2 ILE 68 2.185 -11.569 -7.236 420 HG22 ILE 68 2HG2 ILE 68 0.971 -11.209 -8.485 421 HG23 ILE 68 3HG2 ILE 68 1.328 -12.898 -8.052 422 HD11 ILE 68 3HD1 ILE 68 5.114 -11.363 -8.327 423 HD12 ILE 68 1HD1 ILE 68 5.756 -12.961 -7.879 424 HD13 ILE 68 2HD1 ILE 68 5.863 -12.397 -9.565 425 H GLU 69 H GLU 69 1.823 -14.687 -10.417 426 HA GLU 69 HA GLU 69 -1.033 -14.335 -10.146 427 HB3 GLU 69 2HB GLU 69 -1.385 -16.251 -11.805 428 HG3 GLU 69 2HG GLU 69 -0.133 -14.155 -13.475 429 H HIS 70 H HIS 70 -2.097 -16.177 -9.109 430 HA HIS 70 HA HIS 70 -2.231 -17.816 -7.659 431 HB3 HIS 70 2HB HIS 70 -1.003 -19.788 -7.980 432 HD1 HIS 70 1HD HIS 70 -2.600 -20.659 -9.729 433 HD2 HIS 70 2HD HIS 70 0.046 -17.782 -11.253 434 HE1 HIS 70 1HE HIS 70 -2.974 -20.609 -12.253 435 H TYR 71 H TYR 71 -1.178 -15.332 -6.791 436 HA TYR 71 HA TYR 71 1.079 -15.963 -5.081 437 HB3 TYR 71 2HB TYR 71 -0.543 -13.422 -4.889 438 HD1 TYR 71 2HD TYR 71 2.746 -14.585 -6.301 439 HD2 TYR 71 1HD TYR 71 0.711 -12.014 -3.552 440 HE1 TYR 71 2HE TYR 71 4.972 -13.609 -5.556 441 HE2 TYR 71 1HE TYR 71 2.944 -11.046 -2.816 442 HH TYR 71 HH TYR 71 5.208 -10.775 -3.828 443 H HIS 72 H HIS 72 1.005 -16.238 -2.865 444 HA HIS 72 HA HIS 72 -1.667 -16.048 -1.677 445 HB3 HIS 72 2HB HIS 72 0.385 -18.050 -0.760 446 HD1 HIS 72 1HD HIS 72 -1.413 -16.917 1.317 447 HD2 HIS 72 2HD HIS 72 -2.703 -19.935 -1.294 448 HE1 HIS 72 1HE HIS 72 -3.388 -18.058 2.463 449 H ARG 73 H ARG 73 0.266 -13.912 -1.827 450 HA ARG 73 HA ARG 73 1.120 -13.861 0.956 451 HB3 ARG 73 2HB ARG 73 2.407 -11.782 -0.592 452 HG3 ARG 73 2HG ARG 73 4.255 -13.870 -0.107 453 HD3 ARG 73 2HD ARG 73 4.122 -12.270 2.234 454 HE ARG 73 HE ARG 73 5.725 -11.275 -0.010 455 HH11 ARG 73 2HH2 ARG 73 5.453 -13.766 2.460 456 HH12 ARG 73 1HH2 ARG 73 7.145 -14.138 2.453 457 HH21 ARG 73 2HH1 ARG 73 7.956 -11.765 -0.020 458 HH22 ARG 73 1HH1 ARG 73 8.579 -12.991 1.033 459 H THR 74 H THR 74 1.456 -11.262 1.548 460 HA THR 74 HA THR 74 -1.015 -9.921 0.666 461 HB THR 74 HB THR 74 -0.998 -9.031 3.102 462 HG1 THR 74 1HG THR 74 0.692 -11.413 3.326 463 HG21 THR 74 3HG2 THR 74 -2.656 -10.662 3.026 464 HG22 THR 74 1HG2 THR 74 -1.588 -11.848 2.237 465 HG23 THR 74 2HG2 THR 74 -1.468 -11.571 3.990 466 H SER 75 H SER 75 2.114 -9.899 0.068 467 HA SER 75 HA SER 75 2.102 -7.106 -0.388 468 HB3 SER 75 2HB SER 75 3.077 -6.522 1.583 469 HG SER 75 HG SER 75 2.780 -8.970 2.208 470 H ALA 76 H ALA 76 3.676 -6.529 -2.004 471 HA ALA 76 HA ALA 76 5.620 -8.523 -2.776 472 HB1 ALA 76 3HB ALA 76 3.399 -7.650 -4.670 473 HB2 ALA 76 1HB ALA 76 4.771 -8.710 -5.071 474 HB3 ALA 76 2HB ALA 76 3.534 -9.255 -3.913 475 H THR 77 H THR 77 7.365 -7.598 -3.905 476 HA THR 77 HA THR 77 7.323 -4.675 -3.915 477 HB THR 77 HB THR 77 9.548 -6.777 -4.068 478 HG1 THR 77 1HG THR 77 9.182 -6.549 -1.899 479 HG21 THR 77 3HG2 THR 77 11.102 -5.088 -4.306 480 HG22 THR 77 1HG2 THR 77 9.753 -4.175 -5.023 481 HG23 THR 77 2HG2 THR 77 10.157 -3.963 -3.302 482 H ILE 78 H ILE 78 7.592 -3.406 -5.708 483 HA ILE 78 HA ILE 78 7.405 -4.873 -8.237 484 HB ILE 78 HB ILE 78 6.682 -2.003 -7.639 485 HG13 ILE 78 2HG1 ILE 78 4.392 -2.672 -7.487 486 HG21 ILE 78 1HG2 ILE 78 6.461 -3.765 -10.063 487 HG22 ILE 78 2HG2 ILE 78 5.304 -2.438 -9.797 488 HG23 ILE 78 3HG2 ILE 78 7.044 -2.089 -9.924 489 HD11 ILE 78 3HD1 ILE 78 4.557 -4.581 -9.145 490 HD12 ILE 78 1HD1 ILE 78 5.331 -5.551 -7.868 491 HD13 ILE 78 2HD1 ILE 78 3.655 -4.987 -7.665 492 H THR 79 H THR 79 8.649 -4.082 -10.089 493 HA THR 79 HA THR 79 10.944 -2.416 -9.358 494 HB THR 79 HB THR 79 12.305 -4.213 -10.720 495 HG1 THR 79 1HG THR 79 10.106 -5.234 -11.235 496 HG21 THR 79 3HG2 THR 79 12.734 -4.065 -8.325 497 HG22 THR 79 1HG2 THR 79 11.144 -4.767 -7.945 498 HG23 THR 79 2HG2 THR 79 12.408 -5.778 -8.685 499 H GLU 80 H GLU 80 12.310 -2.082 -11.530 500 HA GLU 80 HA GLU 80 12.342 -1.014 -13.422 501 HB3 GLU 80 2HB GLU 80 10.321 -1.999 -15.059 502 HG3 GLU 80 2HG GLU 80 12.763 -3.693 -14.522 503 H LEU 81 H LEU 81 11.428 0.767 -11.858 504 HA LEU 81 HA LEU 81 8.979 1.793 -13.108 505 HB3 LEU 81 2HB LEU 81 8.269 2.677 -10.974 506 HG LEU 81 HG LEU 81 8.922 -0.274 -10.781 507 HD11 LEU 81 1HD1 LEU 81 6.688 0.695 -9.161 508 HD12 LEU 81 2HD1 LEU 81 8.021 -0.407 -8.744 509 HD13 LEU 81 3HD1 LEU 81 8.261 1.354 -8.654 510 HD21 LEU 81 3HD2 LEU 81 6.171 0.096 -11.070 511 HD22 LEU 81 1HD2 LEU 81 6.908 1.245 -12.212 512 HD23 LEU 81 2HD2 LEU 81 7.317 -0.485 -12.302 513 H VAL 82 H VAL 82 9.187 3.801 -13.971 514 HA VAL 82 HA VAL 82 11.764 5.053 -13.766 515 HB VAL 82 HB VAL 82 10.649 4.911 -15.893 516 HG11 VAL 82 1HG1 VAL 82 8.524 6.830 -15.568 517 HG12 VAL 82 2HG1 VAL 82 8.448 5.149 -16.150 518 HG13 VAL 82 3HG1 VAL 82 8.309 5.496 -14.410 519 HG21 VAL 82 3HG2 VAL 82 11.286 7.517 -14.656 520 HG22 VAL 82 1HG2 VAL 82 11.886 6.780 -16.160 521 HG23 VAL 82 2HG2 VAL 82 10.312 7.611 -16.143 522 H ILE 83 H ILE 83 12.243 7.068 -12.817 523 HA ILE 83 HA ILE 83 10.424 7.773 -10.679 524 HB ILE 83 HB ILE 83 13.209 8.715 -11.371 525 HG13 ILE 83 2HG1 ILE 83 13.015 6.314 -10.739 526 HG21 ILE 83 1HG2 ILE 83 12.860 9.296 -8.736 527 HG22 ILE 83 2HG2 ILE 83 12.659 10.459 -10.067 528 HG23 ILE 83 3HG2 ILE 83 11.237 9.637 -9.380 529 HD11 ILE 83 3HD1 ILE 83 14.256 7.771 -8.399 530 HD12 ILE 83 1HD1 ILE 83 14.870 6.366 -9.303 531 HD13 ILE 83 2HD1 ILE 83 14.938 7.990 -10.029 532 H GLY 84 H GLY 84 8.707 8.999 -11.302 533 HA2 GLY 84 1HA GLY 84 8.497 11.525 -11.679 534 HA3 GLY 84 2HA GLY 84 9.204 11.162 -13.241 535 H ASN 85 H ASN 85 7.786 8.378 -13.102 536 HA ASN 85 HA ASN 85 5.307 9.411 -14.182 537 HB3 ASN 85 2HB ASN 85 5.178 6.817 -14.861 538 HD21 ASN 85 1HD2 ASN 85 7.013 6.292 -16.796 539 HD22 ASN 85 2HD2 ASN 85 7.055 7.554 -17.981 540 H GLU 86 H GLU 86 3.248 8.199 -13.616 541 HA GLU 86 HA GLU 86 3.468 7.069 -10.935 542 HB3 GLU 86 2HB GLU 86 2.239 9.245 -11.067 543 HG3 GLU 86 2HG GLU 86 -0.256 8.490 -12.094 544 H TYR 87 H TYR 87 1.949 5.295 -10.394 545 HA TYR 87 HA TYR 87 0.781 3.981 -12.730 546 HB3 TYR 87 2HB TYR 87 1.869 1.847 -11.847 547 HD1 TYR 87 1HD TYR 87 4.317 4.606 -11.282 548 HD2 TYR 87 2HD TYR 87 2.899 1.582 -13.956 549 HE1 TYR 87 1HE TYR 87 6.308 5.013 -12.810 550 HE2 TYR 87 2HE TYR 87 4.895 1.999 -15.475 551 HH TYR 87 HH TYR 87 6.859 2.969 -15.636 552 H TYR 88 H TYR 88 -0.540 1.971 -11.942 553 HA TYR 88 HA TYR 88 -1.731 2.598 -9.327 554 HB3 TYR 88 2HB TYR 88 -3.861 1.714 -10.706 555 HD1 TYR 88 2HD TYR 88 -3.758 3.794 -8.882 556 HD2 TYR 88 1HD TYR 88 -3.354 4.104 -13.130 557 HE1 TYR 88 2HE TYR 88 -4.515 6.218 -8.784 558 HE2 TYR 88 1HE TYR 88 -4.114 6.528 -13.017 559 HH TYR 88 HH TYR 88 -5.745 7.807 -10.891 560 H PHE 89 H PHE 89 -2.232 0.839 -8.032 561 HA PHE 89 HA PHE 89 -1.531 -1.763 -9.191 562 HB3 PHE 89 2HB PHE 89 -1.004 -2.315 -6.779 563 HD1 PHE 89 1HD PHE 89 0.777 -1.971 -8.925 564 HD2 PHE 89 2HD PHE 89 0.140 0.651 -5.649 565 HE1 PHE 89 1HE PHE 89 3.092 -1.046 -9.215 566 HE2 PHE 89 2HE PHE 89 2.454 1.576 -5.941 567 HZ PHE 89 HZ PHE 89 3.903 0.717 -7.720 568 H ARG 90 H ARG 90 -2.953 -3.499 -8.979 569 HA ARG 90 HA ARG 90 -5.300 -3.040 -7.363 570 HB3 ARG 90 2HB ARG 90 -6.165 -4.343 -9.794 571 HG3 ARG 90 2HG ARG 90 -6.733 -1.739 -8.355 572 HD3 ARG 90 2HD ARG 90 -6.841 -1.489 -10.964 573 HE ARG 90 HE ARG 90 -8.065 -3.355 -11.767 574 HH11 ARG 90 2HH2 ARG 90 -9.873 -1.655 -9.273 575 HH12 ARG 90 1HH2 ARG 90 -11.359 -2.481 -9.605 576 HH21 ARG 90 2HH1 ARG 90 -10.025 -4.445 -12.208 577 HH22 ARG 90 1HH1 ARG 90 -11.445 -4.079 -11.287 578 H VAL 91 H VAL 91 -5.543 -4.843 -6.080 579 HA VAL 91 HA VAL 91 -4.297 -7.318 -7.006 580 HB VAL 91 HB VAL 91 -5.259 -6.394 -4.291 581 HG11 VAL 91 1HG1 VAL 91 -5.202 -8.991 -5.064 582 HG12 VAL 91 2HG1 VAL 91 -3.518 -8.788 -4.522 583 HG13 VAL 91 3HG1 VAL 91 -4.861 -8.443 -3.405 584 HG21 VAL 91 3HG2 VAL 91 -3.301 -5.254 -4.445 585 HG22 VAL 91 1HG2 VAL 91 -2.606 -6.833 -4.009 586 HG23 VAL 91 2HG2 VAL 91 -2.651 -6.322 -5.713 587 H PHE 92 H PHE 92 -5.473 -9.137 -7.496 588 HA PHE 92 HA PHE 92 -8.380 -8.843 -7.231 589 HB3 PHE 92 2HB PHE 92 -8.245 -10.619 -9.145 590 HD1 PHE 92 1HD PHE 92 -5.594 -8.210 -9.938 591 HD2 PHE 92 2HD PHE 92 -9.764 -8.989 -10.066 592 HE1 PHE 92 1HE PHE 92 -5.904 -6.289 -11.523 593 HE2 PHE 92 2HE PHE 92 -10.074 -7.067 -11.651 594 HZ PHE 92 HZ PHE 92 -8.140 -5.740 -12.361 595 H SER 93 H SER 93 -9.282 -11.380 -7.583 596 HA SER 93 HA SER 93 -7.845 -12.927 -5.577 597 HB3 SER 93 2HB SER 93 -9.987 -13.607 -4.571 598 HG SER 93 HG SER 93 -9.674 -10.749 -4.901 599 H GLU 94 H GLU 94 -7.831 -15.208 -5.933 600 HA GLU 94 HA GLU 94 -8.972 -15.958 -8.510 601 HB3 GLU 94 2HB GLU 94 -7.085 -17.904 -7.941 602 HG3 GLU 94 2HG GLU 94 -6.008 -15.452 -9.248 603 H ASN 95 H ASN 95 -9.464 -18.435 -8.642 604 HA ASN 95 HA ASN 95 -9.804 -20.012 -6.491 605 HB3 ASN 95 2HB ASN 95 -12.593 -19.381 -6.698 606 HD21 ASN 95 1HD2 ASN 95 -12.162 -21.100 -5.188 607 HD22 ASN 95 2HD2 ASN 95 -11.763 -20.745 -3.541 608 H MET 96 H MET 96 -11.838 -21.653 -6.975 609 HA MET 96 HA MET 96 -11.410 -22.718 -9.438 610 HB3 MET 96 2HB MET 96 -12.451 -24.007 -7.646 611 HG3 MET 96 2HG MET 96 -13.820 -21.697 -7.018 612 HE1 MET 96 3HE MET 96 -17.385 -23.001 -6.410 613 HE2 MET 96 1HE MET 96 -17.229 -24.407 -7.492 614 HE3 MET 96 2HE MET 96 -16.010 -24.117 -6.228 615 H CYS 97 H CYS 97 -13.366 -19.957 -8.576 616 HA CYS 97 HA CYS 97 -15.155 -20.153 -10.774 617 HB3 CYS 97 2HB CYS 97 -15.537 -17.659 -10.139 618 HG CYS 97 HG CYS 97 -17.362 -18.168 -8.608 619 H GLY 98 H GLY 98 -12.829 -17.470 -10.018 620 HA2 GLY 98 1HA GLY 98 -11.146 -17.764 -12.214 621 HA3 GLY 98 2HA GLY 98 -12.490 -16.769 -12.738 622 H LEU 99 H LEU 99 -11.563 -14.730 -12.853 623 HA LEU 99 HA LEU 99 -9.993 -13.838 -10.567 624 HB3 LEU 99 2HB LEU 99 -9.896 -11.784 -12.291 625 HG LEU 99 HG LEU 99 -7.806 -12.476 -13.050 626 HD11 LEU 99 1HD1 LEU 99 -8.142 -12.428 -10.499 627 HD12 LEU 99 2HD1 LEU 99 -7.999 -14.200 -10.587 628 HD13 LEU 99 3HD1 LEU 99 -6.658 -13.171 -11.140 629 HD21 LEU 99 3HD2 LEU 99 -7.594 -14.392 -14.146 630 HD22 LEU 99 1HD2 LEU 99 -7.557 -15.245 -12.584 631 HD23 LEU 99 2HD2 LEU 99 -9.103 -15.016 -13.436 632 H SER 100 H SER 100 -10.559 -12.033 -9.289 633 HA SER 100 HA SER 100 -13.198 -11.792 -8.687 634 HB3 SER 100 2HB SER 100 -10.893 -9.846 -8.268 635 HG SER 100 HG SER 100 -12.202 -8.573 -7.130 636 H GLU 101 H GLU 101 -14.891 -10.367 -9.280 637 HA GLU 101 HA GLU 101 -14.840 -9.426 -11.870 638 HB3 GLU 101 2HB GLU 101 -16.837 -7.986 -10.398 639 HG3 GLU 101 2HG GLU 101 -18.025 -10.325 -11.373 640 H ASP 102 H ASP 102 -14.027 -7.882 -8.762 641 HA ASP 102 HA ASP 102 -13.099 -5.607 -10.298 642 HB3 ASP 102 2HB ASP 102 -14.919 -4.479 -9.441 643 H ALA 103 H ALA 103 -11.297 -4.459 -9.163 644 HA ALA 103 HA ALA 103 -10.156 -6.074 -6.984 645 HB1 ALA 103 3HB ALA 103 -7.933 -5.353 -7.933 646 HB2 ALA 103 1HB ALA 103 -8.871 -6.416 -9.007 647 HB3 ALA 103 2HB ALA 103 -8.809 -4.666 -9.322 648 H THR 104 H THR 104 -9.339 -4.960 -5.195 649 HA THR 104 HA THR 104 -10.344 -2.297 -4.865 650 HB THR 104 HB THR 104 -8.743 -4.256 -3.148 651 HG1 THR 104 1HG THR 104 -11.020 -4.692 -3.577 652 HG21 THR 104 3HG2 THR 104 -10.158 -2.195 -1.667 653 HG22 THR 104 1HG2 THR 104 -8.433 -2.624 -1.581 654 HG23 THR 104 2HG2 THR 104 -8.993 -1.421 -2.766 655 H MET 105 H MET 105 -9.381 -0.757 -6.106 656 HA MET 105 HA MET 105 -6.549 -0.809 -6.425 657 HB3 MET 105 2HB MET 105 -8.308 1.570 -7.117 658 HG3 MET 105 2HG MET 105 -5.936 0.126 -8.354 659 HE1 MET 105 3HE MET 105 -6.413 3.450 -9.010 660 HE2 MET 105 1HE MET 105 -5.876 3.263 -10.697 661 HE3 MET 105 2HE MET 105 -7.561 3.715 -10.344 662 H THR 106 H THR 106 -5.035 0.772 -5.643 663 HA THR 106 HA THR 106 -5.458 1.604 -3.012 664 HB THR 106 HB THR 106 -3.289 2.874 -3.480 665 HG1 THR 106 1HG THR 106 -3.608 3.400 -5.689 666 HG21 THR 106 3HG2 THR 106 -3.745 0.018 -3.694 667 HG22 THR 106 1HG2 THR 106 -2.511 0.487 -4.887 668 HG23 THR 106 2HG2 THR 106 -2.268 0.858 -3.164 669 H LYS 107 H LYS 107 -6.363 3.334 -2.065 670 HA LYS 107 HA LYS 107 -8.107 4.956 -3.334 671 HB3 LYS 107 2HB LYS 107 -6.945 6.483 -1.227 672 HG3 LYS 107 2HG LYS 107 -9.045 5.082 -0.112 673 HD3 LYS 107 2HD LYS 107 -9.120 7.438 -2.053 674 HE3 LYS 107 2HE LYS 107 -11.343 5.995 -1.326 675 HZ1 LYS 107 3HZ LYS 107 -12.334 7.425 0.415 676 HZ2 LYS 107 1HZ LYS 107 -11.153 6.435 0.958 677 HZ3 LYS 107 2HZ LYS 107 -10.848 8.024 0.734 678 H GLU 108 H GLU 108 -4.576 5.182 -3.293 679 HA GLU 108 HA GLU 108 -4.853 7.437 -5.105 680 HB3 GLU 108 2HB GLU 108 -2.635 8.295 -4.029 681 HG3 GLU 108 2HG GLU 108 -5.312 8.393 -2.568 682 H SER 109 H SER 109 -2.238 7.818 -5.880 683 HA SER 109 HA SER 109 -1.554 5.162 -6.868 684 HB3 SER 109 2HB SER 109 -2.286 6.780 -8.611 685 HG SER 109 HG SER 109 -0.943 8.599 -9.082 686 H ALA 110 H ALA 110 0.917 5.014 -7.482 687 HA ALA 110 HA ALA 110 2.397 6.138 -5.217 688 HB1 ALA 110 3HB ALA 110 3.422 4.129 -5.068 689 HB2 ALA 110 1HB ALA 110 2.125 3.534 -6.131 690 HB3 ALA 110 2HB ALA 110 3.684 4.038 -6.826 691 H VAL 111 H VAL 111 3.692 7.852 -5.628 692 HA VAL 111 HA VAL 111 4.401 8.364 -8.405 693 HB VAL 111 HB VAL 111 4.217 9.961 -5.884 694 HG11 VAL 111 1HG1 VAL 111 6.256 10.853 -6.388 695 HG12 VAL 111 2HG1 VAL 111 6.148 10.420 -8.111 696 HG13 VAL 111 3HG1 VAL 111 5.261 11.834 -7.490 697 HG21 VAL 111 3HG2 VAL 111 2.931 9.863 -8.540 698 HG22 VAL 111 1HG2 VAL 111 2.291 10.404 -6.969 699 HG23 VAL 111 2HG2 VAL 111 3.295 11.503 -7.947 700 H ILE 112 H ILE 112 6.142 7.110 -8.986 701 HA ILE 112 HA ILE 112 8.102 6.156 -7.357 702 HB ILE 112 HB ILE 112 8.416 7.041 -10.227 703 HG13 ILE 112 2HG1 ILE 112 7.806 4.593 -10.662 704 HG21 ILE 112 1HG2 ILE 112 10.426 6.271 -8.672 705 HG22 ILE 112 2HG2 ILE 112 9.795 4.657 -9.079 706 HG23 ILE 112 3HG2 ILE 112 10.301 5.769 -10.376 707 HD11 ILE 112 3HD1 ILE 112 6.140 4.770 -8.173 708 HD12 ILE 112 1HD1 ILE 112 6.752 3.336 -9.031 709 HD13 ILE 112 2HD1 ILE 112 7.839 4.276 -7.980 710 H ALA 113 H ALA 113 10.168 6.837 -6.664 711 HA ALA 113 HA ALA 113 11.339 9.251 -7.397 712 HB1 ALA 113 3HB ALA 113 10.788 10.148 -4.857 713 HB2 ALA 113 1HB ALA 113 9.955 10.701 -6.331 714 HB3 ALA 113 2HB ALA 113 9.231 9.421 -5.326 715 H ARG 114 H ARG 114 13.367 9.566 -6.272 716 HA ARG 114 HA ARG 114 14.196 7.117 -5.028 717 HB3 ARG 114 2HB ARG 114 16.405 8.854 -5.069 718 HG3 ARG 114 2HG ARG 114 16.085 7.505 -7.634 719 HD3 ARG 114 2HD ARG 114 18.130 7.932 -5.901 720 HE ARG 114 HE ARG 114 16.832 5.812 -4.623 721 HH11 ARG 114 2HH2 ARG 114 19.988 6.294 -6.105 722 HH12 ARG 114 1HH2 ARG 114 20.787 5.157 -5.072 723 HH21 ARG 114 2HH1 ARG 114 17.888 4.311 -3.261 724 HH22 ARG 114 1HH1 ARG 114 19.586 4.021 -3.444 725 H ASP 115 H ASP 115 12.612 7.897 -3.153 726 HA ASP 115 HA ASP 115 14.324 8.875 -1.107 727 HB3 ASP 115 2HB ASP 115 11.772 10.386 -1.086 728 H GLY 116 H GLY 116 13.831 7.404 0.527 729 HA2 GLY 116 1HA GLY 116 11.003 6.824 1.068 730 HA3 GLY 116 2HA GLY 116 12.092 5.490 0.741 731 H LYS 117 H LYS 117 12.398 8.595 2.619 732 HA LYS 117 HA LYS 117 13.080 6.945 4.947 733 HB3 LYS 117 2HB LYS 117 14.502 9.387 5.137 734 HG3 LYS 117 2HG LYS 117 16.476 7.736 4.815 735 HD3 LYS 117 2HD LYS 117 15.182 6.295 6.875 736 HE3 LYS 117 2HE LYS 117 16.446 8.958 7.485 737 HZ1 LYS 117 3HZ LYS 117 16.926 6.203 8.392 738 HZ2 LYS 117 1HZ LYS 117 17.630 7.542 9.010 739 HZ3 LYS 117 2HZ LYS 117 16.022 7.312 9.179 740 H ILE 118 H ILE 118 11.886 7.396 6.733 741 HA ILE 118 HA ILE 118 10.510 8.435 8.114 742 HB ILE 118 HB ILE 118 12.110 10.518 7.067 743 HG13 ILE 118 2HG1 ILE 118 11.487 9.528 9.491 744 HG21 ILE 118 1HG2 ILE 118 10.603 12.450 7.262 745 HG22 ILE 118 2HG2 ILE 118 10.156 11.387 5.907 746 HG23 ILE 118 3HG2 ILE 118 9.216 11.347 7.418 747 HD11 ILE 118 3HD1 ILE 118 13.439 10.760 9.511 748 HD12 ILE 118 1HD1 ILE 118 12.746 12.068 8.523 749 HD13 ILE 118 2HD1 ILE 118 12.374 11.974 10.261 750 H TYR 119 H TYR 119 8.300 8.398 8.176 751 HA TYR 119 HA TYR 119 6.845 9.336 5.839 752 HB3 TYR 119 2HB TYR 119 7.294 6.518 6.810 753 HD1 TYR 119 2HD TYR 119 4.608 7.365 4.442 754 HD2 TYR 119 1HD TYR 119 5.510 5.967 8.383 755 HE1 TYR 119 2HE TYR 119 2.203 6.593 4.727 756 HE2 TYR 119 1HE TYR 119 3.101 5.201 8.655 757 HH TYR 119 HH TYR 119 1.226 4.461 6.777 758 H LYS 120 H LYS 120 4.679 9.924 6.296 759 HA LYS 120 HA LYS 120 3.832 9.531 9.066 760 HB3 LYS 120 2HB LYS 120 3.479 12.214 7.754 761 HG3 LYS 120 2HG LYS 120 4.051 11.915 10.650 762 HD3 LYS 120 2HD LYS 120 2.544 13.622 8.829 763 HE3 LYS 120 2HE LYS 120 1.019 13.313 11.376 764 HZ1 LYS 120 3HZ LYS 120 -0.172 13.399 8.751 765 HZ2 LYS 120 1HZ LYS 120 -0.578 14.214 10.106 766 HZ3 LYS 120 2HZ LYS 120 0.684 14.714 9.199 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -0.787 -8.227 21.888 2 HA2 GLY 1 1HA GLY 1 -1.998 -6.481 20.091 3 HA3 GLY 1 2HA GLY 1 -0.378 -6.779 19.494 4 H SER 2 H SER 2 -0.471 -8.287 17.885 5 HA SER 2 HA SER 2 -0.972 -10.082 16.771 6 HB3 SER 2 2HB SER 2 0.102 -11.075 18.900 7 HG SER 2 HG SER 2 -1.185 -11.735 20.473 8 H SER 3 H SER 3 -2.768 -11.874 16.370 9 HA SER 3 HA SER 3 -5.307 -10.962 17.425 10 HB3 SER 3 2HB SER 3 -6.064 -11.446 14.863 11 HG SER 3 HG SER 3 -6.573 -9.470 15.847 12 H GLY 4 H GLY 4 -3.800 -13.290 15.057 13 HA2 GLY 4 1HA GLY 4 -3.814 -15.552 15.040 14 HA3 GLY 4 2HA GLY 4 -4.575 -15.559 16.618 15 H SER 5 H SER 5 -5.064 -16.803 13.705 16 HA SER 5 HA SER 5 -7.835 -17.011 14.080 17 HB3 SER 5 2HB SER 5 -6.865 -15.324 11.734 18 HG SER 5 HG SER 5 -9.511 -16.373 12.283 19 H SER 6 H SER 6 -8.723 -18.729 12.746 20 HA SER 6 HA SER 6 -6.638 -20.125 11.258 21 HB3 SER 6 2HB SER 6 -7.200 -21.490 13.126 22 HG SER 6 HG SER 6 -9.988 -21.559 12.581 23 H GLY 7 H GLY 7 -10.223 -19.571 11.507 24 HA2 GLY 7 1HA GLY 7 -11.774 -19.247 9.906 25 HA3 GLY 7 2HA GLY 7 -10.486 -18.994 8.744 26 H ALA 8 H ALA 8 -12.394 -21.519 10.465 27 HA ALA 8 HA ALA 8 -11.669 -23.381 8.309 28 HB1 ALA 8 3HB ALA 8 -12.924 -24.755 10.447 29 HB2 ALA 8 1HB ALA 8 -11.203 -24.791 9.995 30 HB3 ALA 8 2HB ALA 8 -11.783 -23.612 11.196 31 H SER 9 H SER 9 -13.439 -24.819 7.540 32 HA SER 9 HA SER 9 -16.077 -23.777 8.092 33 HB3 SER 9 2HB SER 9 -16.256 -24.142 5.366 34 HG SER 9 HG SER 9 -15.673 -21.790 6.931 35 H ILE 10 H ILE 10 -17.133 -25.601 8.792 36 HA ILE 10 HA ILE 10 -16.786 -28.016 7.168 37 HB ILE 10 HB ILE 10 -16.870 -29.361 9.211 38 HG13 ILE 10 2HG1 ILE 10 -17.688 -26.958 10.433 39 HG21 ILE 10 1HG2 ILE 10 -14.700 -29.250 8.548 40 HG22 ILE 10 2HG2 ILE 10 -14.650 -27.471 8.605 41 HG23 ILE 10 3HG2 ILE 10 -14.544 -28.414 10.112 42 HD11 ILE 10 3HD1 ILE 10 -18.276 -28.382 12.184 43 HD12 ILE 10 1HD1 ILE 10 -18.109 -29.558 10.859 44 HD13 ILE 10 2HD1 ILE 10 -16.788 -29.348 12.035 45 H ASP 11 H ASP 11 -18.669 -29.362 7.012 46 HA ASP 11 HA ASP 11 -20.794 -29.770 6.867 47 HB3 ASP 11 2HB ASP 11 -22.101 -28.112 8.781 48 H ILE 12 H ILE 12 -22.864 -28.789 6.028 49 HA ILE 12 HA ILE 12 -23.725 -27.398 4.494 50 HB ILE 12 HB ILE 12 -23.441 -25.775 7.008 51 HG13 ILE 12 2HG1 ILE 12 -24.879 -27.825 6.971 52 HG21 ILE 12 1HG2 ILE 12 -23.773 -23.939 5.760 53 HG22 ILE 12 2HG2 ILE 12 -24.317 -24.868 4.342 54 HG23 ILE 12 3HG2 ILE 12 -25.452 -24.522 5.668 55 HD11 ILE 12 3HD1 ILE 12 -26.812 -25.552 7.165 56 HD12 ILE 12 1HD1 ILE 12 -26.431 -26.827 8.348 57 HD13 ILE 12 2HD1 ILE 12 -25.347 -25.426 8.169 58 H GLN 13 H GLN 13 -22.043 -27.417 2.903 59 HA GLN 13 HA GLN 13 -20.338 -25.057 3.046 60 HB3 GLN 13 2HB GLN 13 -19.947 -27.801 1.834 61 HG3 GLN 13 2HG GLN 13 -18.403 -25.262 1.117 62 HE21 GLN 13 1HE2 GLN 13 -18.660 -27.880 -1.030 63 HE22 GLN 13 2HE2 GLN 13 -17.083 -28.571 -0.836 64 H ILE 14 H ILE 14 -20.758 -23.420 1.624 65 HA ILE 14 HA ILE 14 -22.313 -24.130 -0.766 66 HB ILE 14 HB ILE 14 -22.511 -21.438 0.516 67 HG13 ILE 14 2HG1 ILE 14 -22.876 -23.061 2.345 68 HG21 ILE 14 1HG2 ILE 14 -24.207 -21.121 -0.907 69 HG22 ILE 14 2HG2 ILE 14 -23.548 -22.528 -1.777 70 HG23 ILE 14 3HG2 ILE 14 -24.883 -22.743 -0.619 71 HD11 ILE 14 3HD1 ILE 14 -25.668 -22.321 1.966 72 HD12 ILE 14 1HD1 ILE 14 -24.483 -21.670 3.125 73 HD13 ILE 14 2HD1 ILE 14 -24.600 -20.980 1.488 74 H ILE 15 H ILE 15 -20.676 -24.273 -2.272 75 HA ILE 15 HA ILE 15 -18.355 -22.820 -2.294 76 HB ILE 15 HB ILE 15 -18.267 -23.364 -4.694 77 HG13 ILE 15 2HG1 ILE 15 -21.150 -23.559 -4.363 78 HG21 ILE 15 1HG2 ILE 15 -19.063 -25.484 -2.701 79 HG22 ILE 15 2HG2 ILE 15 -18.571 -25.887 -4.363 80 HG23 ILE 15 3HG2 ILE 15 -17.441 -25.039 -3.282 81 HD11 ILE 15 3HD1 ILE 15 -21.080 -22.768 -6.504 82 HD12 ILE 15 1HD1 ILE 15 -19.345 -22.529 -6.187 83 HD13 ILE 15 2HD1 ILE 15 -19.902 -24.002 -7.016 84 H ASP 16 H ASP 16 -17.673 -21.032 -3.785 85 HA ASP 16 HA ASP 16 -19.415 -19.399 -5.074 86 HB3 ASP 16 2HB ASP 16 -18.888 -17.668 -2.817 87 H ARG 17 H ARG 17 -18.323 -17.145 -5.478 88 HA ARG 17 HA ARG 17 -15.467 -17.576 -5.346 89 HB3 ARG 17 2HB ARG 17 -15.385 -15.750 -7.094 90 HG3 ARG 17 2HG ARG 17 -16.330 -18.398 -7.389 91 HD3 ARG 17 2HD ARG 17 -17.915 -16.503 -9.186 92 HE ARG 17 HE ARG 17 -17.405 -19.368 -9.261 93 HH11 ARG 17 2HH2 ARG 17 -19.822 -16.906 -9.952 94 HH12 ARG 17 1HH2 ARG 17 -20.640 -17.860 -11.143 95 HH21 ARG 17 2HH1 ARG 17 -18.484 -20.629 -10.832 96 HH22 ARG 17 1HH1 ARG 17 -19.874 -19.992 -11.647 97 HA PRO 18 HA PRO 18 -15.173 -14.359 -2.397 98 HB3 PRO 18 2HB PRO 18 -13.262 -15.268 -1.491 99 HG3 PRO 18 2HG PRO 18 -12.144 -16.736 -2.873 100 HD3 PRO 18 2HD PRO 18 -13.869 -17.404 -4.239 101 H GLY 19 H GLY 19 -14.828 -12.101 -2.058 102 HA2 GLY 19 1HA GLY 19 -14.983 -10.710 -4.607 103 HA3 GLY 19 2HA GLY 19 -15.285 -10.058 -3.009 104 HA PRO 20 HA PRO 20 -11.206 -8.519 -4.144 105 HB3 PRO 20 2HB PRO 20 -11.877 -6.507 -5.041 106 HG3 PRO 20 2HG PRO 20 -14.100 -5.995 -4.701 107 HD3 PRO 20 2HD PRO 20 -14.964 -8.105 -4.406 108 HA PRO 21 HA PRO 21 -9.403 -8.459 -0.300 109 HB3 PRO 21 2HB PRO 21 -7.252 -8.343 -1.114 110 HG3 PRO 21 2HG PRO 21 -7.061 -7.363 -3.193 111 HD3 PRO 21 2HD PRO 21 -9.179 -7.729 -4.012 112 H GLN 22 H GLN 22 -9.433 -7.652 1.795 113 HA GLN 22 HA GLN 22 -11.336 -5.905 2.375 114 HB3 GLN 22 2HB GLN 22 -9.606 -5.311 4.401 115 HG3 GLN 22 2HG GLN 22 -10.573 -8.159 4.284 116 HE21 GLN 22 1HE2 GLN 22 -8.975 -7.894 6.073 117 HE22 GLN 22 2HE2 GLN 22 -9.549 -7.336 7.610 118 H ILE 23 H ILE 23 -7.827 -4.990 2.044 119 HA ILE 23 HA ILE 23 -8.633 -2.473 0.891 120 HB ILE 23 HB ILE 23 -8.622 -2.335 3.490 121 HG13 ILE 23 2HG1 ILE 23 -8.589 -0.108 3.193 122 HG21 ILE 23 1HG2 ILE 23 -5.657 -2.103 2.907 123 HG22 ILE 23 2HG2 ILE 23 -6.459 -1.755 4.457 124 HG23 ILE 23 3HG2 ILE 23 -6.446 -3.415 3.815 125 HD11 ILE 23 3HD1 ILE 23 -5.924 -0.499 1.761 126 HD12 ILE 23 1HD1 ILE 23 -6.719 1.083 1.949 127 HD13 ILE 23 2HD1 ILE 23 -6.187 0.178 3.387 128 H VAL 24 H VAL 24 -6.648 -1.239 0.121 129 HA VAL 24 HA VAL 24 -4.320 -2.967 -0.167 130 HB VAL 24 HB VAL 24 -5.752 -1.685 -2.502 131 HG11 VAL 24 1HG1 VAL 24 -3.409 -1.751 -2.947 132 HG12 VAL 24 2HG1 VAL 24 -3.262 -3.402 -2.298 133 HG13 VAL 24 3HG1 VAL 24 -4.136 -3.120 -3.822 134 HG21 VAL 24 3HG2 VAL 24 -7.098 -3.526 -1.784 135 HG22 VAL 24 1HG2 VAL 24 -6.168 -4.075 -3.199 136 HG23 VAL 24 2HG2 VAL 24 -5.671 -4.567 -1.563 137 H LYS 25 H LYS 25 -2.652 -1.775 0.581 138 HA LYS 25 HA LYS 25 -2.673 1.081 -0.105 139 HB3 LYS 25 2HB LYS 25 -3.216 0.994 2.205 140 HG3 LYS 25 2HG LYS 25 -1.233 -1.255 2.222 141 HD3 LYS 25 2HD LYS 25 -0.702 0.920 3.889 142 HE3 LYS 25 2HE LYS 25 -2.855 -0.700 5.069 143 HZ1 LYS 25 3HZ LYS 25 -1.609 -1.748 6.542 144 HZ2 LYS 25 1HZ LYS 25 -0.245 -0.944 6.142 145 HZ3 LYS 25 2HZ LYS 25 -1.285 -0.300 7.224 146 H ILE 26 H ILE 26 -0.352 2.018 0.060 147 HA ILE 26 HA ILE 26 1.450 0.016 -1.107 148 HB ILE 26 HB ILE 26 1.161 2.976 -1.602 149 HG13 ILE 26 2HG1 ILE 26 -0.045 0.727 -2.792 150 HG21 ILE 26 1HG2 ILE 26 3.205 1.227 -2.954 151 HG22 ILE 26 2HG2 ILE 26 3.105 3.003 -2.886 152 HG23 ILE 26 3HG2 ILE 26 3.574 2.081 -1.436 153 HD11 ILE 26 3HD1 ILE 26 -0.850 3.130 -2.671 154 HD12 ILE 26 1HD1 ILE 26 0.314 3.523 -3.959 155 HD13 ILE 26 2HD1 ILE 26 -1.018 2.387 -4.281 156 H GLU 27 H GLU 27 2.639 -0.745 0.602 157 HA GLU 27 HA GLU 27 3.205 0.397 2.909 158 HB3 GLU 27 2HB GLU 27 5.667 -0.818 1.976 159 HG3 GLU 27 2HG GLU 27 4.389 -2.768 3.384 160 H ASP 28 H ASP 28 4.976 1.007 -0.180 161 HA ASP 28 HA ASP 28 5.475 3.621 0.361 162 HB3 ASP 28 2HB ASP 28 8.151 2.355 0.661 163 H VAL 29 H VAL 29 7.603 4.335 -1.091 164 HA VAL 29 HA VAL 29 8.059 2.439 -3.238 165 HB VAL 29 HB VAL 29 6.099 3.447 -4.064 166 HG11 VAL 29 1HG1 VAL 29 7.198 6.225 -3.593 167 HG12 VAL 29 2HG1 VAL 29 5.532 5.737 -3.992 168 HG13 VAL 29 3HG1 VAL 29 6.205 5.379 -2.383 169 HG21 VAL 29 3HG2 VAL 29 6.826 4.237 -6.108 170 HG22 VAL 29 1HG2 VAL 29 8.121 5.225 -5.391 171 HG23 VAL 29 2HG2 VAL 29 8.307 3.459 -5.502 172 H TRP 30 H TRP 30 10.189 2.484 -3.738 173 HA TRP 30 HA TRP 30 11.597 5.027 -3.403 174 HB3 TRP 30 2HB TRP 30 11.992 3.842 -1.344 175 HD1 TRP 30 HD TRP 30 14.591 1.590 -2.898 176 HE1 TRP 30 1HE TRP 30 14.111 -0.965 -2.445 177 HE3 TRP 30 3HE TRP 30 9.879 2.253 -1.107 178 HZ2 TRP 30 2HZ TRP 30 11.865 -2.390 -1.412 179 HZ3 TRP 30 3HZ TRP 30 8.611 0.228 -0.398 180 HH2 TRP 30 HH TRP 30 9.530 -2.033 -0.527 181 H GLY 31 H GLY 31 13.604 5.086 -4.726 182 HA2 GLY 31 1HA GLY 31 14.503 4.884 -6.794 183 HA3 GLY 31 2HA GLY 31 14.667 3.204 -6.327 184 H GLU 32 H GLU 32 13.872 1.785 -7.808 185 HA GLU 32 HA GLU 32 11.576 2.706 -9.354 186 HB3 GLU 32 2HB GLU 32 12.395 1.124 -11.140 187 HG3 GLU 32 2HG GLU 32 14.505 3.145 -10.250 188 H ASN 33 H ASN 33 11.684 1.308 -6.672 189 HA ASN 33 HA ASN 33 10.213 -1.064 -7.514 190 HB3 ASN 33 2HB ASN 33 12.173 -1.948 -6.460 191 HD21 ASN 33 1HD2 ASN 33 14.039 -1.477 -5.588 192 HD22 ASN 33 2HD2 ASN 33 14.377 -0.215 -4.451 193 H VAL 34 H VAL 34 8.138 -1.238 -6.558 194 HA VAL 34 HA VAL 34 7.492 0.827 -4.570 195 HB VAL 34 HB VAL 34 6.079 -0.297 -6.934 196 HG11 VAL 34 1HG1 VAL 34 4.723 0.429 -4.333 197 HG12 VAL 34 2HG1 VAL 34 3.897 0.611 -5.900 198 HG13 VAL 34 3HG1 VAL 34 4.465 -0.992 -5.374 199 HG21 VAL 34 3HG2 VAL 34 7.203 2.044 -6.617 200 HG22 VAL 34 1HG2 VAL 34 5.627 1.924 -7.437 201 HG23 VAL 34 2HG2 VAL 34 5.707 2.439 -5.736 202 H ALA 35 H ALA 35 5.986 0.214 -2.847 203 HA ALA 35 HA ALA 35 6.095 -2.678 -2.322 204 HB1 ALA 35 3HB ALA 35 5.917 -1.705 0.147 205 HB2 ALA 35 1HB ALA 35 7.488 -1.823 -0.682 206 HB3 ALA 35 2HB ALA 35 6.632 -0.264 -0.614 207 H LEU 36 H LEU 36 4.128 -3.634 -2.362 208 HA LEU 36 HA LEU 36 1.808 -1.890 -1.958 209 HB3 LEU 36 2HB LEU 36 0.671 -3.993 -3.017 210 HG LEU 36 HG LEU 36 2.347 -2.020 -4.575 211 HD11 LEU 36 1HD1 LEU 36 1.746 -2.884 -6.596 212 HD12 LEU 36 2HD1 LEU 36 1.845 -4.394 -5.657 213 HD13 LEU 36 3HD1 LEU 36 0.263 -3.640 -5.963 214 HD21 LEU 36 3HD2 LEU 36 0.637 -0.661 -4.204 215 HD22 LEU 36 1HD2 LEU 36 -0.418 -1.775 -5.106 216 HD23 LEU 36 2HD2 LEU 36 -0.244 -1.946 -3.344 217 H THR 37 H THR 37 0.043 -2.642 -0.610 218 HA THR 37 HA THR 37 0.568 -4.946 1.066 219 HB THR 37 HB THR 37 0.107 -3.232 3.081 220 HG1 THR 37 1HG THR 37 0.994 -1.155 2.462 221 HG21 THR 37 3HG2 THR 37 2.859 -3.007 1.819 222 HG22 THR 37 1HG2 THR 37 2.432 -3.158 3.540 223 HG23 THR 37 2HG2 THR 37 2.315 -4.573 2.466 224 H TRP 38 H TRP 38 -1.263 -6.053 0.733 225 HA TRP 38 HA TRP 38 -3.759 -4.511 0.960 226 HB3 TRP 38 2HB TRP 38 -3.449 -5.273 -1.310 227 HD1 TRP 38 HD TRP 38 -4.491 -8.782 -0.161 228 HE1 TRP 38 1HE TRP 38 -2.859 -10.632 -1.098 229 HE3 TRP 38 3HE TRP 38 -1.035 -5.542 -2.010 230 HZ2 TRP 38 2HZ TRP 38 -0.363 -10.535 -2.478 231 HZ3 TRP 38 3HZ TRP 38 0.970 -6.503 -3.138 232 HH2 TRP 38 HH TRP 38 1.335 -8.907 -3.386 233 H THR 39 H THR 39 -5.528 -5.675 2.059 234 HA THR 39 HA THR 39 -4.453 -7.505 4.072 235 HB THR 39 HB THR 39 -6.758 -6.897 5.128 236 HG1 THR 39 1HG THR 39 -7.663 -4.984 4.049 237 HG21 THR 39 3HG2 THR 39 -4.591 -4.834 4.534 238 HG22 THR 39 1HG2 THR 39 -6.028 -4.410 5.495 239 HG23 THR 39 2HG2 THR 39 -4.917 -5.677 6.068 240 HA PRO 40 HA PRO 40 -6.563 -10.906 2.532 241 HB3 PRO 40 2HB PRO 40 -5.573 -12.323 4.052 242 HG3 PRO 40 2HG PRO 40 -4.849 -11.303 5.990 243 HD3 PRO 40 2HD PRO 40 -4.577 -9.147 5.240 244 HA PRO 41 HA PRO 41 -10.782 -10.472 2.525 245 HB3 PRO 41 2HB PRO 41 -11.058 -11.808 0.671 246 HG3 PRO 41 2HG PRO 41 -9.371 -13.344 0.333 247 HD3 PRO 41 2HD PRO 41 -7.647 -12.311 1.450 248 H LYS 42 H LYS 42 -12.646 -10.452 3.756 249 HA LYS 42 HA LYS 42 -12.209 -11.522 6.370 250 HB3 LYS 42 2HB LYS 42 -14.784 -10.592 6.359 251 HG3 LYS 42 2HG LYS 42 -12.278 -8.855 6.511 252 HD3 LYS 42 2HD LYS 42 -14.725 -7.881 6.655 253 HE3 LYS 42 2HE LYS 42 -14.817 -8.226 9.514 254 HZ1 LYS 42 3HZ LYS 42 -16.547 -7.903 7.591 255 HZ2 LYS 42 1HZ LYS 42 -16.718 -9.518 7.768 256 HZ3 LYS 42 2HZ LYS 42 -16.979 -8.525 9.038 257 H ASP 43 H ASP 43 -13.188 -12.887 3.457 258 HA ASP 43 HA ASP 43 -14.705 -14.891 4.932 259 HB3 ASP 43 2HB ASP 43 -15.114 -14.021 2.031 260 H ASP 44 H ASP 44 -13.732 -16.926 4.774 261 HA ASP 44 HA ASP 44 -12.486 -17.719 2.364 262 HB3 ASP 44 2HB ASP 44 -10.828 -17.027 4.812 263 H GLY 45 H GLY 45 -14.122 -19.420 2.691 264 HA2 GLY 45 1HA GLY 45 -13.448 -21.294 4.882 265 HA3 GLY 45 2HA GLY 45 -15.091 -20.951 4.379 266 H ASN 46 H ASN 46 -15.540 -21.285 1.911 267 HA ASN 46 HA ASN 46 -15.165 -23.908 1.333 268 HB3 ASN 46 2HB ASN 46 -15.434 -22.739 -1.191 269 HD21 ASN 46 1HD2 ASN 46 -17.635 -22.108 1.512 270 HD22 ASN 46 2HD2 ASN 46 -18.830 -23.298 1.117 271 H ALA 47 H ALA 47 -13.557 -21.042 -0.269 272 HA ALA 47 HA ALA 47 -11.422 -22.833 -1.159 273 HB1 ALA 47 3HB ALA 47 -11.521 -19.988 -2.032 274 HB2 ALA 47 1HB ALA 47 -11.220 -21.466 -2.977 275 HB3 ALA 47 2HB ALA 47 -12.885 -21.008 -2.547 276 H ALA 48 H ALA 48 -9.285 -22.556 -0.510 277 HA ALA 48 HA ALA 48 -8.957 -20.843 1.817 278 HB1 ALA 48 3HB ALA 48 -7.161 -22.964 0.570 279 HB2 ALA 48 1HB ALA 48 -6.878 -22.141 2.122 280 HB3 ALA 48 2HB ALA 48 -8.283 -23.217 1.928 281 H ILE 49 H ILE 49 -9.109 -20.025 -1.212 282 HA ILE 49 HA ILE 49 -8.040 -18.690 -2.629 283 HB ILE 49 HB ILE 49 -7.248 -17.436 0.000 284 HG13 ILE 49 2HG1 ILE 49 -9.713 -17.457 -1.644 285 HG21 ILE 49 1HG2 ILE 49 -7.465 -15.489 -2.043 286 HG22 ILE 49 2HG2 ILE 49 -6.022 -15.968 -1.119 287 HG23 ILE 49 3HG2 ILE 49 -6.400 -16.776 -2.658 288 HD11 ILE 49 3HD1 ILE 49 -9.331 -18.294 0.792 289 HD12 ILE 49 1HD1 ILE 49 -9.307 -16.569 1.231 290 HD13 ILE 49 2HD1 ILE 49 -10.758 -17.276 0.481 291 H THR 50 H THR 50 -6.601 -20.060 -3.700 292 HA THR 50 HA THR 50 -4.260 -21.090 -2.683 293 HB THR 50 HB THR 50 -3.646 -21.051 -5.233 294 HG1 THR 50 1HG THR 50 -5.436 -20.240 -6.498 295 HG21 THR 50 3HG2 THR 50 -5.073 -22.861 -5.664 296 HG22 THR 50 1HG2 THR 50 -5.195 -22.809 -3.889 297 HG23 THR 50 2HG2 THR 50 -6.468 -22.072 -4.891 298 H GLY 51 H GLY 51 -4.842 -17.867 -4.174 299 HA2 GLY 51 1HA GLY 51 -2.683 -16.721 -2.725 300 HA3 GLY 51 2HA GLY 51 -2.218 -17.016 -4.389 301 H TYR 52 H TYR 52 -2.077 -14.697 -4.762 302 HA TYR 52 HA TYR 52 -4.687 -13.575 -5.402 303 HB3 TYR 52 2HB TYR 52 -4.005 -11.469 -4.210 304 HD1 TYR 52 2HD TYR 52 -2.325 -14.078 -2.169 305 HD2 TYR 52 1HD TYR 52 -5.922 -11.860 -2.838 306 HE1 TYR 52 2HE TYR 52 -3.270 -14.936 0.030 307 HE2 TYR 52 1HE TYR 52 -6.855 -12.725 -0.637 308 HH TYR 52 HH TYR 52 -6.068 -15.194 0.807 309 H THR 53 H THR 53 -4.663 -12.443 -7.311 310 HA THR 53 HA THR 53 -2.135 -12.374 -8.726 311 HB THR 53 HB THR 53 -5.068 -11.881 -9.420 312 HG1 THR 53 1HG THR 53 -4.184 -14.082 -9.200 313 HG21 THR 53 3HG2 THR 53 -2.854 -12.034 -11.484 314 HG22 THR 53 1HG2 THR 53 -4.492 -11.358 -11.648 315 HG23 THR 53 2HG2 THR 53 -3.242 -10.456 -10.758 316 H ILE 54 H ILE 54 -1.190 -10.508 -9.674 317 HA ILE 54 HA ILE 54 -2.130 -7.990 -8.509 318 HB ILE 54 HB ILE 54 0.659 -9.124 -8.435 319 HG13 ILE 54 2HG1 ILE 54 -1.463 -9.010 -6.558 320 HG21 ILE 54 1HG2 ILE 54 -0.185 -6.255 -7.944 321 HG22 ILE 54 2HG2 ILE 54 1.426 -6.942 -7.625 322 HG23 ILE 54 3HG2 ILE 54 0.813 -6.846 -9.293 323 HD11 ILE 54 3HD1 ILE 54 -0.088 -10.456 -5.398 324 HD12 ILE 54 1HD1 ILE 54 0.768 -10.502 -6.958 325 HD13 ILE 54 2HD1 ILE 54 1.358 -9.448 -5.651 326 H GLN 55 H GLN 55 -1.689 -6.111 -9.799 327 HA GLN 55 HA GLN 55 -0.437 -6.569 -12.337 328 HB3 GLN 55 2HB GLN 55 -2.300 -6.056 -13.721 329 HG3 GLN 55 2HG GLN 55 -3.389 -7.728 -11.407 330 HE21 GLN 55 1HE2 GLN 55 -3.784 -9.568 -13.862 331 HE22 GLN 55 2HE2 GLN 55 -5.312 -9.086 -14.519 332 H LYS 56 H LYS 56 0.376 -4.631 -13.265 333 HA LYS 56 HA LYS 56 -0.119 -2.237 -11.633 334 HB3 LYS 56 2HB LYS 56 2.145 -3.291 -11.331 335 HG3 LYS 56 2HG LYS 56 3.477 -2.236 -13.582 336 HD3 LYS 56 2HD LYS 56 2.720 -5.165 -13.349 337 HE3 LYS 56 2HE LYS 56 4.866 -5.563 -14.246 338 HZ1 LYS 56 3HZ LYS 56 5.113 -3.988 -16.043 339 HZ2 LYS 56 1HZ LYS 56 3.543 -4.401 -15.863 340 HZ3 LYS 56 2HZ LYS 56 4.072 -2.950 -15.333 341 H ALA 57 H ALA 57 0.048 -0.166 -12.818 342 HA ALA 57 HA ALA 57 0.013 -0.288 -15.684 343 HB1 ALA 57 3HB ALA 57 -2.314 -1.009 -14.973 344 HB2 ALA 57 1HB ALA 57 -2.513 0.603 -14.245 345 HB3 ALA 57 2HB ALA 57 -2.256 0.444 -16.000 346 H ASP 58 H ASP 58 0.275 1.818 -16.617 347 HA ASP 58 HA ASP 58 1.117 3.740 -14.619 348 HB3 ASP 58 2HB ASP 58 2.862 3.928 -16.059 349 H LYS 59 H LYS 59 0.760 6.178 -15.525 350 HA LYS 59 HA LYS 59 -2.080 6.354 -16.118 351 HB3 LYS 59 2HB LYS 59 -1.280 8.912 -15.694 352 HG3 LYS 59 2HG LYS 59 -1.562 7.833 -13.099 353 HD3 LYS 59 2HD LYS 59 -2.818 9.755 -14.226 354 HE3 LYS 59 2HE LYS 59 -3.919 7.443 -15.713 355 HZ1 LYS 59 3HZ LYS 59 -5.628 8.468 -13.952 356 HZ2 LYS 59 1HZ LYS 59 -5.906 9.441 -15.234 357 HZ3 LYS 59 2HZ LYS 59 -6.070 7.823 -15.386 358 H LYS 60 H LYS 60 0.067 5.519 -18.115 359 HA LYS 60 HA LYS 60 -0.309 7.737 -20.002 360 HB3 LYS 60 2HB LYS 60 1.709 7.141 -21.052 361 HG3 LYS 60 2HG LYS 60 3.375 7.029 -19.178 362 HD3 LYS 60 2HD LYS 60 2.480 9.035 -17.878 363 HE3 LYS 60 2HE LYS 60 3.357 8.882 -20.513 364 HZ1 LYS 60 3HZ LYS 60 0.660 9.851 -20.442 365 HZ2 LYS 60 1HZ LYS 60 1.709 10.824 -21.231 366 HZ3 LYS 60 2HZ LYS 60 1.527 9.269 -21.697 367 H SER 61 H SER 61 -0.406 4.157 -19.545 368 HA SER 61 HA SER 61 -2.135 4.098 -21.895 369 HB3 SER 61 2HB SER 61 -0.976 1.510 -21.095 370 HG SER 61 HG SER 61 -1.791 1.623 -23.163 371 H MET 62 H MET 62 -1.646 3.345 -18.489 372 HA MET 62 HA MET 62 -2.953 2.585 -16.929 373 HB3 MET 62 2HB MET 62 -5.558 2.567 -17.611 374 HG3 MET 62 2HG MET 62 -5.627 5.053 -17.344 375 HE1 MET 62 3HE MET 62 -5.942 2.360 -15.662 376 HE2 MET 62 1HE MET 62 -5.924 3.060 -14.026 377 HE3 MET 62 2HE MET 62 -6.771 3.902 -15.345 378 H GLU 63 H GLU 63 -1.958 0.798 -19.274 379 HA GLU 63 HA GLU 63 -3.909 -1.252 -19.410 380 HB3 GLU 63 2HB GLU 63 -2.103 -2.505 -20.620 381 HG3 GLU 63 2HG GLU 63 -2.636 0.400 -21.362 382 H TRP 64 H TRP 64 -4.087 -3.128 -18.186 383 HA TRP 64 HA TRP 64 -2.374 -3.236 -15.835 384 HB3 TRP 64 2HB TRP 64 -4.041 -4.893 -15.041 385 HD1 TRP 64 HD TRP 64 -6.556 -2.574 -16.671 386 HE1 TRP 64 1HE TRP 64 -7.318 -0.633 -15.054 387 HE3 TRP 64 3HE TRP 64 -3.005 -3.419 -13.130 388 HZ2 TRP 64 2HZ TRP 64 -6.372 0.311 -12.533 389 HZ3 TRP 64 3HZ TRP 64 -2.995 -1.943 -11.122 390 HH2 TRP 64 HH TRP 64 -4.601 -0.129 -10.793 391 H PHE 65 H PHE 65 -0.625 -4.582 -15.817 392 HA PHE 65 HA PHE 65 -0.667 -6.808 -17.732 393 HB3 PHE 65 2HB PHE 65 1.983 -6.362 -17.007 394 HD1 PHE 65 1HD PHE 65 0.032 -3.763 -18.819 395 HD2 PHE 65 2HD PHE 65 2.644 -7.093 -19.116 396 HE1 PHE 65 1HE PHE 65 0.260 -3.365 -21.287 397 HE2 PHE 65 2HE PHE 65 2.872 -6.697 -21.584 398 HZ PHE 65 HZ PHE 65 1.677 -4.836 -22.640 399 H THR 66 H THR 66 -1.065 -8.705 -16.690 400 HA THR 66 HA THR 66 -1.085 -9.216 -14.057 401 HB THR 66 HB THR 66 -0.168 -11.032 -16.348 402 HG1 THR 66 1HG THR 66 -2.323 -10.778 -16.773 403 HG21 THR 66 3HG2 THR 66 -1.027 -11.564 -13.482 404 HG22 THR 66 1HG2 THR 66 -1.473 -12.715 -14.764 405 HG23 THR 66 2HG2 THR 66 0.242 -12.373 -14.432 406 H VAL 67 H VAL 67 0.266 -9.151 -12.381 407 HA VAL 67 HA VAL 67 3.106 -8.952 -12.986 408 HB VAL 67 HB VAL 67 1.488 -8.441 -10.484 409 HG11 VAL 67 1HG1 VAL 67 4.213 -7.347 -10.611 410 HG12 VAL 67 2HG1 VAL 67 3.368 -8.172 -9.281 411 HG13 VAL 67 3HG1 VAL 67 4.158 -9.124 -10.561 412 HG21 VAL 67 3HG2 VAL 67 1.796 -6.885 -12.789 413 HG22 VAL 67 1HG2 VAL 67 1.204 -6.344 -11.200 414 HG23 VAL 67 2HG2 VAL 67 2.929 -6.180 -11.610 415 H ILE 68 H ILE 68 0.784 -10.836 -10.941 416 HA ILE 68 HA ILE 68 2.395 -13.172 -11.287 417 HB ILE 68 HB ILE 68 3.198 -11.568 -9.235 418 HG13 ILE 68 2HG1 ILE 68 4.086 -13.798 -10.362 419 HG21 ILE 68 1HG2 ILE 68 2.385 -12.288 -7.167 420 HG22 ILE 68 2HG2 ILE 68 0.923 -12.088 -8.161 421 HG23 ILE 68 3HG2 ILE 68 1.583 -13.715 -7.867 422 HD11 ILE 68 3HD1 ILE 68 5.011 -12.068 -8.414 423 HD12 ILE 68 1HD1 ILE 68 5.033 -13.628 -7.557 424 HD13 ILE 68 2HD1 ILE 68 5.938 -13.435 -9.077 425 H GLU 69 H GLU 69 1.289 -15.109 -10.405 426 HA GLU 69 HA GLU 69 -1.510 -14.539 -9.832 427 HB3 GLU 69 2HB GLU 69 -1.961 -16.719 -11.196 428 HG3 GLU 69 2HG GLU 69 -0.967 -14.548 -13.023 429 H HIS 70 H HIS 70 -2.501 -15.913 -8.294 430 HA HIS 70 HA HIS 70 -2.542 -17.179 -6.498 431 HB3 HIS 70 2HB HIS 70 -1.626 -19.489 -6.731 432 HD1 HIS 70 1HD HIS 70 -3.339 -21.117 -7.650 433 HD2 HIS 70 2HD HIS 70 -3.449 -17.385 -9.561 434 HE1 HIS 70 1HE HIS 70 -5.403 -21.142 -9.151 435 H TYR 71 H TYR 71 -0.835 -15.090 -6.147 436 HA TYR 71 HA TYR 71 1.804 -15.766 -5.521 437 HB3 TYR 71 2HB TYR 71 0.014 -13.693 -4.135 438 HD1 TYR 71 2HD TYR 71 3.282 -14.379 -5.832 439 HD2 TYR 71 1HD TYR 71 1.142 -11.976 -3.013 440 HE1 TYR 71 2HE TYR 71 5.451 -13.249 -5.138 441 HE2 TYR 71 1HE TYR 71 3.318 -10.853 -2.329 442 HH TYR 71 HH TYR 71 5.718 -10.529 -3.806 443 H HIS 72 H HIS 72 2.469 -15.059 -3.012 444 HA HIS 72 HA HIS 72 0.962 -16.953 -1.361 445 HB3 HIS 72 2HB HIS 72 3.340 -16.968 -0.148 446 HD1 HIS 72 1HD HIS 72 4.864 -19.181 -0.821 447 HD2 HIS 72 2HD HIS 72 1.143 -18.742 -2.707 448 HE1 HIS 72 1HE HIS 72 4.260 -21.478 -1.754 449 H ARG 73 H ARG 73 3.517 -14.470 -0.692 450 HA ARG 73 HA ARG 73 2.342 -13.681 1.659 451 HB3 ARG 73 2HB ARG 73 3.770 -11.430 0.805 452 HG3 ARG 73 2HG ARG 73 5.688 -13.347 1.699 453 HD3 ARG 73 2HD ARG 73 4.751 -12.113 3.997 454 HE ARG 73 HE ARG 73 6.869 -11.604 2.100 455 HH11 ARG 73 2HH2 ARG 73 5.159 -10.133 4.801 456 HH12 ARG 73 1HH2 ARG 73 6.490 -9.123 5.259 457 HH21 ARG 73 2HH1 ARG 73 8.626 -10.272 2.704 458 HH22 ARG 73 1HH1 ARG 73 8.475 -9.203 4.058 459 H THR 74 H THR 74 1.701 -11.192 2.035 460 HA THR 74 HA THR 74 -0.419 -10.632 0.091 461 HB THR 74 HB THR 74 -1.122 -9.102 2.112 462 HG1 THR 74 1HG THR 74 -0.023 -9.885 4.077 463 HG21 THR 74 3HG2 THR 74 -1.649 -11.286 3.546 464 HG22 THR 74 1HG2 THR 74 -2.468 -11.044 1.986 465 HG23 THR 74 2HG2 THR 74 -1.068 -12.137 2.095 466 H SER 75 H SER 75 2.774 -9.742 0.745 467 HA SER 75 HA SER 75 2.245 -7.139 -0.461 468 HB3 SER 75 2HB SER 75 3.328 -6.200 1.282 469 HG SER 75 HG SER 75 2.829 -8.401 2.362 470 H ALA 76 H ALA 76 3.482 -6.603 -2.297 471 HA ALA 76 HA ALA 76 5.612 -8.475 -3.023 472 HB1 ALA 76 3HB ALA 76 4.717 -8.526 -5.340 473 HB2 ALA 76 1HB ALA 76 3.576 -9.229 -4.169 474 HB3 ALA 76 2HB ALA 76 3.304 -7.587 -4.802 475 H THR 77 H THR 77 7.221 -7.543 -4.452 476 HA THR 77 HA THR 77 7.181 -4.603 -4.342 477 HB THR 77 HB THR 77 9.554 -6.520 -4.600 478 HG1 THR 77 1HG THR 77 8.376 -6.779 -2.576 479 HG21 THR 77 3HG2 THR 77 9.574 -3.838 -5.074 480 HG22 THR 77 1HG2 THR 77 9.670 -3.811 -3.298 481 HG23 THR 77 2HG2 THR 77 10.915 -4.662 -4.244 482 H ILE 78 H ILE 78 7.021 -3.449 -6.161 483 HA ILE 78 HA ILE 78 7.000 -4.932 -8.649 484 HB ILE 78 HB ILE 78 6.365 -2.031 -8.100 485 HG13 ILE 78 2HG1 ILE 78 4.132 -2.575 -7.753 486 HG21 ILE 78 1HG2 ILE 78 4.958 -2.497 -10.255 487 HG22 ILE 78 2HG2 ILE 78 6.693 -2.123 -10.379 488 HG23 ILE 78 3HG2 ILE 78 6.135 -3.809 -10.506 489 HD11 ILE 78 3HD1 ILE 78 3.787 -5.336 -8.001 490 HD12 ILE 78 1HD1 ILE 78 3.229 -4.112 -9.166 491 HD13 ILE 78 2HD1 ILE 78 4.795 -4.922 -9.408 492 H THR 79 H THR 79 8.126 -3.935 -10.595 493 HA THR 79 HA THR 79 10.543 -2.467 -9.879 494 HB THR 79 HB THR 79 11.807 -4.252 -11.313 495 HG1 THR 79 1HG THR 79 10.603 -6.204 -11.513 496 HG21 THR 79 3HG2 THR 79 11.741 -5.980 -9.360 497 HG22 THR 79 1HG2 THR 79 12.296 -4.338 -8.957 498 HG23 THR 79 2HG2 THR 79 10.636 -4.839 -8.556 499 H GLU 80 H GLU 80 11.857 -2.433 -12.256 500 HA GLU 80 HA GLU 80 11.857 -1.171 -14.046 501 HB3 GLU 80 2HB GLU 80 10.005 -2.023 -15.785 502 HG3 GLU 80 2HG GLU 80 12.146 -3.899 -14.680 503 H LEU 81 H LEU 81 11.181 0.757 -12.737 504 HA LEU 81 HA LEU 81 8.613 1.744 -13.741 505 HB3 LEU 81 2HB LEU 81 8.187 2.806 -11.579 506 HG LEU 81 HG LEU 81 8.557 -0.194 -11.448 507 HD11 LEU 81 1HD1 LEU 81 8.289 1.550 -9.246 508 HD12 LEU 81 2HD1 LEU 81 6.698 0.788 -9.486 509 HD13 LEU 81 3HD1 LEU 81 8.146 -0.223 -9.270 510 HD21 LEU 81 3HD2 LEU 81 5.933 1.268 -11.495 511 HD22 LEU 81 1HD2 LEU 81 6.838 0.994 -13.002 512 HD23 LEU 81 2HD2 LEU 81 6.323 -0.391 -12.009 513 H VAL 82 H VAL 82 8.519 4.221 -13.558 514 HA VAL 82 HA VAL 82 11.206 5.243 -14.166 515 HB VAL 82 HB VAL 82 10.072 5.477 -16.131 516 HG11 VAL 82 1HG1 VAL 82 7.963 4.590 -15.786 517 HG12 VAL 82 2HG1 VAL 82 7.604 5.686 -14.430 518 HG13 VAL 82 3HG1 VAL 82 7.576 6.299 -16.100 519 HG21 VAL 82 3HG2 VAL 82 10.612 7.778 -14.831 520 HG22 VAL 82 1HG2 VAL 82 9.966 7.718 -16.488 521 HG23 VAL 82 2HG2 VAL 82 8.869 7.999 -15.114 522 H ILE 83 H ILE 83 11.962 7.047 -13.076 523 HA ILE 83 HA ILE 83 10.480 7.740 -10.704 524 HB ILE 83 HB ILE 83 13.210 8.478 -11.749 525 HG13 ILE 83 2HG1 ILE 83 12.847 6.130 -10.981 526 HG21 ILE 83 1HG2 ILE 83 12.840 9.071 -8.955 527 HG22 ILE 83 2HG2 ILE 83 13.385 10.130 -10.279 528 HG23 ILE 83 3HG2 ILE 83 11.647 9.959 -9.933 529 HD11 ILE 83 3HD1 ILE 83 14.990 7.718 -10.551 530 HD12 ILE 83 1HD1 ILE 83 14.543 7.402 -8.857 531 HD13 ILE 83 2HD1 ILE 83 14.916 6.045 -9.947 532 H GLY 84 H GLY 84 8.913 9.252 -10.743 533 HA2 GLY 84 1HA GLY 84 8.636 11.683 -10.977 534 HA3 GLY 84 2HA GLY 84 9.280 11.529 -12.601 535 H ASN 85 H ASN 85 7.774 8.742 -12.672 536 HA ASN 85 HA ASN 85 5.306 9.957 -13.580 537 HB3 ASN 85 2HB ASN 85 5.345 7.187 -14.258 538 HD21 ASN 85 1HD2 ASN 85 7.442 8.304 -16.435 539 HD22 ASN 85 2HD2 ASN 85 6.407 9.130 -17.552 540 H GLU 86 H GLU 86 3.273 8.448 -13.238 541 HA GLU 86 HA GLU 86 3.461 7.368 -10.538 542 HB3 GLU 86 2HB GLU 86 1.130 7.941 -10.240 543 HG3 GLU 86 2HG GLU 86 3.109 9.885 -10.880 544 H TYR 87 H TYR 87 1.707 5.570 -10.120 545 HA TYR 87 HA TYR 87 1.183 3.973 -12.489 546 HB3 TYR 87 2HB TYR 87 2.205 2.026 -10.952 547 HD1 TYR 87 2HD TYR 87 2.808 1.481 -13.285 548 HD2 TYR 87 1HD TYR 87 4.845 4.556 -11.116 549 HE1 TYR 87 2HE TYR 87 4.687 1.456 -14.999 550 HE2 TYR 87 1HE TYR 87 6.717 4.520 -12.837 551 HH TYR 87 HH TYR 87 7.099 2.034 -15.031 552 H TYR 88 H TYR 88 -0.075 1.899 -11.794 553 HA TYR 88 HA TYR 88 -1.642 2.433 -9.376 554 HB3 TYR 88 2HB TYR 88 -3.550 1.541 -11.090 555 HD1 TYR 88 1HD TYR 88 -3.606 3.471 -8.997 556 HD2 TYR 88 2HD TYR 88 -3.132 4.147 -13.195 557 HE1 TYR 88 1HE TYR 88 -4.538 5.822 -8.731 558 HE2 TYR 88 2HE TYR 88 -4.067 6.495 -12.915 559 HH TYR 88 HH TYR 88 -5.228 7.608 -9.754 560 H PHE 89 H PHE 89 -2.494 0.570 -8.357 561 HA PHE 89 HA PHE 89 -1.700 -1.963 -9.600 562 HB3 PHE 89 2HB PHE 89 -0.924 -2.677 -7.364 563 HD1 PHE 89 1HD PHE 89 0.993 -2.282 -9.062 564 HD2 PHE 89 2HD PHE 89 -0.291 0.631 -6.255 565 HE1 PHE 89 1HE PHE 89 3.194 -1.095 -9.285 566 HE2 PHE 89 2HE PHE 89 1.909 1.817 -6.479 567 HZ PHE 89 HZ PHE 89 3.625 0.940 -7.991 568 H ARG 90 H ARG 90 -2.933 -3.864 -8.765 569 HA ARG 90 HA ARG 90 -5.266 -3.275 -7.254 570 HB3 ARG 90 2HB ARG 90 -6.702 -4.398 -9.192 571 HG3 ARG 90 2HG ARG 90 -5.818 -1.564 -9.787 572 HD3 ARG 90 2HD ARG 90 -8.261 -1.229 -10.039 573 HE ARG 90 HE ARG 90 -6.809 -3.155 -11.660 574 HH11 ARG 90 2HH2 ARG 90 -9.976 -1.701 -11.177 575 HH12 ARG 90 1HH2 ARG 90 -10.491 -1.974 -12.808 576 HH21 ARG 90 2HH1 ARG 90 -7.488 -3.514 -13.812 577 HH22 ARG 90 1HH1 ARG 90 -9.066 -3.012 -14.317 578 H VAL 91 H VAL 91 -5.467 -5.040 -5.911 579 HA VAL 91 HA VAL 91 -4.267 -7.544 -6.808 580 HB VAL 91 HB VAL 91 -5.153 -6.540 -4.098 581 HG11 VAL 91 1HG1 VAL 91 -4.388 -8.545 -3.121 582 HG12 VAL 91 2HG1 VAL 91 -5.359 -9.063 -4.520 583 HG13 VAL 91 3HG1 VAL 91 -3.582 -9.071 -4.619 584 HG21 VAL 91 3HG2 VAL 91 -2.322 -7.244 -4.671 585 HG22 VAL 91 1HG2 VAL 91 -2.947 -5.770 -5.448 586 HG23 VAL 91 2HG2 VAL 91 -3.004 -5.935 -3.677 587 H PHE 92 H PHE 92 -5.452 -9.389 -7.190 588 HA PHE 92 HA PHE 92 -8.349 -9.106 -6.794 589 HB3 PHE 92 2HB PHE 92 -8.451 -10.641 -8.810 590 HD1 PHE 92 2HD PHE 92 -5.454 -8.477 -9.209 591 HD2 PHE 92 1HD PHE 92 -9.590 -8.993 -10.009 592 HE1 PHE 92 2HE PHE 92 -5.412 -6.473 -10.721 593 HE2 PHE 92 1HE PHE 92 -9.548 -6.990 -11.520 594 HZ PHE 92 HZ PHE 92 -7.459 -5.754 -11.858 595 H SER 93 H SER 93 -9.461 -10.775 -5.779 596 HA SER 93 HA SER 93 -7.872 -12.548 -4.276 597 HB3 SER 93 2HB SER 93 -10.149 -13.448 -3.549 598 HG SER 93 HG SER 93 -9.925 -10.560 -3.503 599 H GLU 94 H GLU 94 -6.829 -14.208 -5.360 600 HA GLU 94 HA GLU 94 -8.164 -15.460 -7.561 601 HB3 GLU 94 2HB GLU 94 -5.714 -16.797 -6.736 602 HG3 GLU 94 2HG GLU 94 -4.959 -16.016 -8.972 603 H ASN 95 H ASN 95 -8.586 -17.796 -7.686 604 HA ASN 95 HA ASN 95 -8.330 -19.368 -5.371 605 HB3 ASN 95 2HB ASN 95 -10.306 -18.034 -4.649 606 HD21 ASN 95 1HD2 ASN 95 -12.912 -18.880 -5.110 607 HD22 ASN 95 2HD2 ASN 95 -13.489 -18.236 -6.611 608 H MET 96 H MET 96 -10.128 -21.410 -5.855 609 HA MET 96 HA MET 96 -9.370 -22.202 -8.520 610 HB3 MET 96 2HB MET 96 -9.048 -23.705 -6.505 611 HG3 MET 96 2HG MET 96 -11.808 -22.966 -6.038 612 HE1 MET 96 3HE MET 96 -14.207 -25.707 -5.436 613 HE2 MET 96 1HE MET 96 -13.581 -24.094 -5.021 614 HE3 MET 96 2HE MET 96 -14.246 -24.400 -6.643 615 H CYS 97 H CYS 97 -11.470 -20.121 -8.124 616 HA CYS 97 HA CYS 97 -13.656 -21.581 -9.413 617 HB3 CYS 97 2HB CYS 97 -14.544 -19.175 -8.014 618 HG CYS 97 HG CYS 97 -16.039 -21.013 -9.292 619 H GLY 98 H GLY 98 -12.234 -18.295 -8.727 620 HA2 GLY 98 1HA GLY 98 -11.501 -17.568 -11.230 621 HA3 GLY 98 2HA GLY 98 -13.222 -17.233 -11.221 622 H LEU 99 H LEU 99 -10.468 -15.618 -11.012 623 HA LEU 99 HA LEU 99 -10.230 -14.316 -8.664 624 HB3 LEU 99 2HB LEU 99 -9.531 -12.339 -10.062 625 HG LEU 99 HG LEU 99 -8.207 -14.764 -9.759 626 HD11 LEU 99 1HD1 LEU 99 -7.056 -15.128 -11.913 627 HD12 LEU 99 2HD1 LEU 99 -8.796 -15.494 -11.989 628 HD13 LEU 99 3HD1 LEU 99 -8.174 -13.978 -12.685 629 HD21 LEU 99 3HD2 LEU 99 -7.229 -12.656 -9.203 630 HD22 LEU 99 1HD2 LEU 99 -6.187 -13.437 -10.418 631 HD23 LEU 99 2HD2 LEU 99 -7.280 -12.117 -10.900 632 H SER 100 H SER 100 -10.942 -12.010 -8.086 633 HA SER 100 HA SER 100 -13.744 -12.057 -7.935 634 HB3 SER 100 2HB SER 100 -12.722 -11.082 -6.066 635 HG SER 100 HG SER 100 -11.207 -9.280 -7.740 636 H GLU 101 H GLU 101 -15.303 -10.685 -8.951 637 HA GLU 101 HA GLU 101 -14.807 -10.039 -11.561 638 HB3 GLU 101 2HB GLU 101 -16.919 -8.348 -10.618 639 HG3 GLU 101 2HG GLU 101 -18.074 -10.762 -11.440 640 H ASP 102 H ASP 102 -14.317 -8.160 -8.583 641 HA ASP 102 HA ASP 102 -13.229 -6.049 -10.266 642 HB3 ASP 102 2HB ASP 102 -15.084 -4.899 -9.461 643 H ALA 103 H ALA 103 -11.631 -4.633 -8.873 644 HA ALA 103 HA ALA 103 -10.430 -6.248 -6.738 645 HB1 ALA 103 3HB ALA 103 -9.132 -5.066 -9.209 646 HB2 ALA 103 1HB ALA 103 -8.194 -5.398 -7.733 647 HB3 ALA 103 2HB ALA 103 -9.023 -6.727 -8.578 648 H THR 104 H THR 104 -9.294 -4.996 -5.121 649 HA THR 104 HA THR 104 -10.374 -2.298 -4.927 650 HB THR 104 HB THR 104 -8.963 -4.204 -2.990 651 HG1 THR 104 1HG THR 104 -11.176 -4.263 -2.206 652 HG21 THR 104 3HG2 THR 104 -10.485 -2.019 -1.788 653 HG22 THR 104 1HG2 THR 104 -8.801 -2.503 -1.472 654 HG23 THR 104 2HG2 THR 104 -9.167 -1.362 -2.788 655 H MET 105 H MET 105 -9.250 -0.882 -6.175 656 HA MET 105 HA MET 105 -6.449 -1.119 -6.436 657 HB3 MET 105 2HB MET 105 -8.214 1.315 -7.029 658 HG3 MET 105 2HG MET 105 -6.127 0.496 -8.959 659 HE1 MET 105 3HE MET 105 -7.268 3.534 -10.534 660 HE2 MET 105 1HE MET 105 -5.641 2.816 -10.602 661 HE3 MET 105 2HE MET 105 -7.073 1.767 -10.485 662 H THR 106 H THR 106 -4.784 0.246 -5.581 663 HA THR 106 HA THR 106 -4.942 0.909 -2.941 664 HB THR 106 HB THR 106 -2.909 2.380 -3.548 665 HG1 THR 106 1HG THR 106 -3.788 2.912 -5.698 666 HG21 THR 106 3HG2 THR 106 -1.729 0.394 -4.857 667 HG22 THR 106 1HG2 THR 106 -2.226 0.140 -3.167 668 HG23 THR 106 2HG2 THR 106 -3.230 -0.489 -4.493 669 H LYS 107 H LYS 107 -6.076 2.314 -1.773 670 HA LYS 107 HA LYS 107 -7.882 4.062 -2.700 671 HB3 LYS 107 2HB LYS 107 -6.790 5.296 -0.403 672 HG3 LYS 107 2HG LYS 107 -8.677 3.537 0.547 673 HD3 LYS 107 2HD LYS 107 -10.025 5.607 -0.999 674 HE3 LYS 107 2HE LYS 107 -9.295 5.341 1.958 675 HZ1 LYS 107 3HZ LYS 107 -10.324 7.252 2.229 676 HZ2 LYS 107 1HZ LYS 107 -10.322 7.485 0.612 677 HZ3 LYS 107 2HZ LYS 107 -11.613 6.793 1.337 678 H GLU 108 H GLU 108 -4.350 4.530 -2.525 679 HA GLU 108 HA GLU 108 -4.783 7.021 -3.971 680 HB3 GLU 108 2HB GLU 108 -2.755 7.951 -2.818 681 HG3 GLU 108 2HG GLU 108 -4.504 7.122 -0.538 682 H SER 109 H SER 109 -2.919 7.627 -5.412 683 HA SER 109 HA SER 109 -1.999 5.281 -6.715 684 HB3 SER 109 2HB SER 109 -2.647 7.112 -8.119 685 HG SER 109 HG SER 109 -1.110 8.634 -6.283 686 H ALA 110 H ALA 110 0.497 5.483 -7.559 687 HA ALA 110 HA ALA 110 2.113 6.043 -5.167 688 HB1 ALA 110 3HB ALA 110 3.545 4.108 -6.036 689 HB2 ALA 110 1HB ALA 110 1.961 3.666 -5.354 690 HB3 ALA 110 2HB ALA 110 2.187 3.717 -7.119 691 H VAL 111 H VAL 111 3.733 7.495 -5.480 692 HA VAL 111 HA VAL 111 4.352 8.155 -8.271 693 HB VAL 111 HB VAL 111 5.345 10.139 -6.555 694 HG11 VAL 111 1HG1 VAL 111 2.965 9.951 -8.412 695 HG12 VAL 111 2HG1 VAL 111 3.394 11.461 -7.573 696 HG13 VAL 111 3HG1 VAL 111 4.549 10.711 -8.700 697 HG21 VAL 111 3HG2 VAL 111 3.285 10.836 -5.328 698 HG22 VAL 111 1HG2 VAL 111 2.554 9.265 -5.740 699 HG23 VAL 111 2HG2 VAL 111 4.006 9.329 -4.714 700 H ILE 112 H ILE 112 6.152 7.099 -8.945 701 HA ILE 112 HA ILE 112 8.026 5.973 -7.242 702 HB ILE 112 HB ILE 112 8.408 6.843 -10.108 703 HG13 ILE 112 2HG1 ILE 112 7.679 4.457 -10.592 704 HG21 ILE 112 1HG2 ILE 112 10.404 5.887 -10.003 705 HG22 ILE 112 2HG2 ILE 112 10.171 5.615 -8.259 706 HG23 ILE 112 3HG2 ILE 112 9.676 4.368 -9.428 707 HD11 ILE 112 3HD1 ILE 112 7.723 4.095 -7.892 708 HD12 ILE 112 1HD1 ILE 112 6.020 4.566 -8.108 709 HD13 ILE 112 2HD1 ILE 112 6.671 3.158 -8.981 710 H ALA 113 H ALA 113 10.125 6.599 -6.567 711 HA ALA 113 HA ALA 113 11.226 9.100 -7.277 712 HB1 ALA 113 3HB ALA 113 9.360 8.983 -4.984 713 HB2 ALA 113 1HB ALA 113 10.943 9.705 -4.608 714 HB3 ALA 113 2HB ALA 113 9.942 10.384 -5.915 715 H ARG 114 H ARG 114 13.357 9.368 -6.340 716 HA ARG 114 HA ARG 114 14.391 6.829 -5.513 717 HB3 ARG 114 2HB ARG 114 16.145 9.274 -5.687 718 HG3 ARG 114 2HG ARG 114 16.388 6.512 -6.963 719 HD3 ARG 114 2HD ARG 114 18.387 8.740 -6.347 720 HE ARG 114 HE ARG 114 18.911 5.960 -6.449 721 HH11 ARG 114 2HH2 ARG 114 19.992 8.879 -8.089 722 HH12 ARG 114 1HH2 ARG 114 21.568 8.252 -8.440 723 HH21 ARG 114 2HH1 ARG 114 20.989 5.131 -6.911 724 HH22 ARG 114 1HH1 ARG 114 22.139 6.106 -7.766 725 H ASP 115 H ASP 115 12.692 7.890 -3.539 726 HA ASP 115 HA ASP 115 14.514 8.066 -1.384 727 HB3 ASP 115 2HB ASP 115 12.768 10.279 -0.887 728 H GLY 116 H GLY 116 13.490 6.753 0.133 729 HA2 GLY 116 1HA GLY 116 10.545 6.921 0.329 730 HA3 GLY 116 2HA GLY 116 11.377 5.379 0.247 731 H LYS 117 H LYS 117 9.760 5.946 2.450 732 HA LYS 117 HA LYS 117 11.431 6.975 4.560 733 HB3 LYS 117 2HB LYS 117 8.930 5.640 5.318 734 HG3 LYS 117 2HG LYS 117 8.589 8.178 6.035 735 HD3 LYS 117 2HD LYS 117 10.867 7.305 7.613 736 HE3 LYS 117 2HE LYS 117 7.946 6.829 8.289 737 HZ1 LYS 117 3HZ LYS 117 8.736 6.869 10.346 738 HZ2 LYS 117 1HZ LYS 117 10.212 6.632 9.690 739 HZ3 LYS 117 2HZ LYS 117 9.727 8.141 10.085 740 H ILE 118 H ILE 118 11.942 5.699 6.516 741 HA ILE 118 HA ILE 118 12.733 3.019 5.715 742 HB ILE 118 HB ILE 118 13.449 4.416 8.278 743 HG13 ILE 118 2HG1 ILE 118 13.848 5.904 6.256 744 HG21 ILE 118 1HG2 ILE 118 15.393 2.735 6.829 745 HG22 ILE 118 2HG2 ILE 118 14.978 2.795 8.559 746 HG23 ILE 118 3HG2 ILE 118 13.950 1.881 7.428 747 HD11 ILE 118 3HD1 ILE 118 15.302 5.571 8.539 748 HD12 ILE 118 1HD1 ILE 118 16.546 5.192 7.323 749 HD13 ILE 118 2HD1 ILE 118 15.715 6.766 7.287 750 H TYR 119 H TYR 119 12.734 2.739 8.934 751 HA TYR 119 HA TYR 119 9.910 1.928 9.075 752 HB3 TYR 119 2HB TYR 119 11.359 0.185 10.708 753 HD1 TYR 119 1HD TYR 119 12.005 -0.032 7.056 754 HD2 TYR 119 2HD TYR 119 9.510 -1.271 10.304 755 HE1 TYR 119 1HE TYR 119 10.909 -1.770 5.560 756 HE2 TYR 119 2HE TYR 119 8.422 -3.005 8.796 757 HH TYR 119 HH TYR 119 9.241 -4.298 6.658 758 H LYS 120 H LYS 120 11.658 4.323 10.054 759 HA LYS 120 HA LYS 120 11.491 5.670 11.813 760 HB3 LYS 120 2HB LYS 120 10.110 3.757 13.619 761 HG3 LYS 120 2HG LYS 120 9.997 6.670 12.829 762 HD3 LYS 120 2HD LYS 120 7.772 5.191 14.313 763 HE3 LYS 120 2HE LYS 120 7.315 7.939 13.322 764 HZ1 LYS 120 3HZ LYS 120 5.970 7.874 15.056 765 HZ2 LYS 120 1HZ LYS 120 6.332 6.290 15.214 766 HZ3 LYS 120 2HZ LYS 120 7.136 7.403 16.098 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -3.201 -7.617 7.775 2 HA2 GLY 1 1HA GLY 1 -4.172 -7.565 9.814 3 HA3 GLY 1 2HA GLY 1 -2.719 -6.701 10.274 4 H SER 2 H SER 2 -5.531 -6.399 11.271 5 HA SER 2 HA SER 2 -5.553 -3.578 11.221 6 HB3 SER 2 2HB SER 2 -8.126 -3.710 10.434 7 HG SER 2 HG SER 2 -6.182 -2.563 9.419 8 H SER 3 H SER 3 -7.906 -6.340 11.607 9 HA SER 3 HA SER 3 -7.759 -6.276 14.382 10 HB3 SER 3 2HB SER 3 -8.996 -4.101 14.008 11 HG SER 3 HG SER 3 -10.809 -4.062 12.866 12 H GLY 4 H GLY 4 -9.678 -7.668 15.340 13 HA2 GLY 4 1HA GLY 4 -11.186 -9.260 13.505 14 HA3 GLY 4 2HA GLY 4 -9.773 -10.113 14.095 15 H SER 5 H SER 5 -9.641 -10.788 16.283 16 HA SER 5 HA SER 5 -10.362 -11.395 18.237 17 HB3 SER 5 2HB SER 5 -12.017 -9.845 19.466 18 HG SER 5 HG SER 5 -9.437 -9.260 18.536 19 H SER 6 H SER 6 -12.046 -12.704 19.225 20 HA SER 6 HA SER 6 -14.281 -13.129 17.401 21 HB3 SER 6 2HB SER 6 -13.913 -15.335 19.234 22 HG SER 6 HG SER 6 -14.551 -16.175 17.375 23 H GLY 7 H GLY 7 -16.306 -14.065 18.583 24 HA2 GLY 7 1HA GLY 7 -16.554 -13.336 21.377 25 HA3 GLY 7 2HA GLY 7 -17.440 -12.309 20.267 26 H ALA 8 H ALA 8 -18.615 -13.743 18.399 27 HA ALA 8 HA ALA 8 -20.175 -15.708 19.910 28 HB1 ALA 8 3HB ALA 8 -21.439 -13.826 19.015 29 HB2 ALA 8 1HB ALA 8 -20.763 -14.100 17.391 30 HB3 ALA 8 2HB ALA 8 -21.866 -15.299 18.109 31 H SER 9 H SER 9 -21.124 -17.503 18.348 32 HA SER 9 HA SER 9 -18.787 -18.612 17.042 33 HB3 SER 9 2HB SER 9 -21.402 -19.904 17.937 34 HG SER 9 HG SER 9 -18.974 -21.090 16.887 35 H ILE 10 H ILE 10 -21.039 -16.551 16.091 36 HA ILE 10 HA ILE 10 -22.274 -17.946 13.927 37 HB ILE 10 HB ILE 10 -22.113 -15.056 14.758 38 HG13 ILE 10 2HG1 ILE 10 -23.559 -17.029 15.866 39 HG21 ILE 10 1HG2 ILE 10 -22.686 -14.408 12.717 40 HG22 ILE 10 2HG2 ILE 10 -22.703 -16.093 12.142 41 HG23 ILE 10 3HG2 ILE 10 -24.171 -15.381 12.855 42 HD11 ILE 10 3HD1 ILE 10 -25.381 -15.002 16.042 43 HD12 ILE 10 1HD1 ILE 10 -23.867 -15.040 16.977 44 HD13 ILE 10 2HD1 ILE 10 -23.960 -14.097 15.470 45 H ASP 11 H ASP 11 -21.163 -18.646 12.187 46 HA ASP 11 HA ASP 11 -18.713 -17.308 11.530 47 HB3 ASP 11 2HB ASP 11 -19.311 -19.272 9.566 48 H ILE 12 H ILE 12 -19.187 -15.341 10.448 49 HA ILE 12 HA ILE 12 -21.380 -15.110 8.667 50 HB ILE 12 HB ILE 12 -19.003 -13.355 9.273 51 HG13 ILE 12 2HG1 ILE 12 -20.663 -13.728 11.093 52 HG21 ILE 12 1HG2 ILE 12 -19.845 -11.660 7.915 53 HG22 ILE 12 2HG2 ILE 12 -20.012 -13.122 6.913 54 HG23 ILE 12 3HG2 ILE 12 -21.434 -12.445 7.745 55 HD11 ILE 12 3HD1 ILE 12 -21.151 -11.286 11.473 56 HD12 ILE 12 1HD1 ILE 12 -19.456 -11.598 11.029 57 HD13 ILE 12 2HD1 ILE 12 -20.589 -10.955 9.816 58 H GLN 13 H GLN 13 -21.088 -16.911 7.208 59 HA GLN 13 HA GLN 13 -18.720 -16.819 5.578 60 HB3 GLN 13 2HB GLN 13 -20.055 -18.932 6.508 61 HG3 GLN 13 2HG GLN 13 -21.209 -18.949 3.739 62 HE21 GLN 13 1HE2 GLN 13 -22.994 -20.326 3.632 63 HE22 GLN 13 2HE2 GLN 13 -23.329 -21.517 4.845 64 H ILE 14 H ILE 14 -18.766 -16.562 3.240 65 HA ILE 14 HA ILE 14 -21.241 -15.323 2.262 66 HB ILE 14 HB ILE 14 -18.552 -14.357 1.374 67 HG13 ILE 14 2HG1 ILE 14 -18.480 -14.258 3.829 68 HG21 ILE 14 1HG2 ILE 14 -21.351 -13.622 1.012 69 HG22 ILE 14 2HG2 ILE 14 -20.343 -12.249 1.529 70 HG23 ILE 14 3HG2 ILE 14 -19.911 -13.171 0.068 71 HD11 ILE 14 3HD1 ILE 14 -19.032 -11.411 3.283 72 HD12 ILE 14 1HD1 ILE 14 -17.508 -12.202 3.753 73 HD13 ILE 14 2HD1 ILE 14 -18.004 -12.173 2.045 74 H ILE 15 H ILE 15 -22.034 -16.959 1.000 75 HA ILE 15 HA ILE 15 -20.499 -18.842 -0.316 76 HB ILE 15 HB ILE 15 -23.249 -17.780 -0.974 77 HG13 ILE 15 2HG1 ILE 15 -22.666 -18.766 1.381 78 HG21 ILE 15 1HG2 ILE 15 -21.686 -20.132 -2.003 79 HG22 ILE 15 2HG2 ILE 15 -23.461 -20.199 -1.897 80 HG23 ILE 15 3HG2 ILE 15 -22.677 -18.948 -2.890 81 HD11 ILE 15 3HD1 ILE 15 -24.983 -19.133 -0.435 82 HD12 ILE 15 1HD1 ILE 15 -24.913 -20.301 0.906 83 HD13 ILE 15 2HD1 ILE 15 -24.937 -18.555 1.248 84 H ASP 16 H ASP 16 -20.066 -19.116 -2.643 85 HA ASP 16 HA ASP 16 -19.513 -18.438 -4.650 86 HB3 ASP 16 2HB ASP 16 -19.941 -15.510 -4.261 87 H ARG 17 H ARG 17 -17.871 -16.587 -5.673 88 HA ARG 17 HA ARG 17 -15.499 -16.871 -4.586 89 HB3 ARG 17 2HB ARG 17 -14.912 -14.577 -5.642 90 HG3 ARG 17 2HG ARG 17 -16.019 -16.996 -6.910 91 HD3 ARG 17 2HD ARG 17 -15.719 -14.856 -8.937 92 HE ARG 17 HE ARG 17 -16.872 -17.387 -8.845 93 HH11 ARG 17 2HH2 ARG 17 -18.017 -14.181 -9.734 94 HH12 ARG 17 1HH2 ARG 17 -19.172 -14.772 -10.880 95 HH21 ARG 17 2HH1 ARG 17 -18.397 -18.168 -10.355 96 HH22 ARG 17 1HH1 ARG 17 -19.390 -17.055 -11.236 97 HA PRO 18 HA PRO 18 -15.245 -14.455 -0.965 98 HB3 PRO 18 2HB PRO 18 -13.241 -15.410 -0.353 99 HG3 PRO 18 2HG PRO 18 -12.022 -16.293 -2.101 100 HD3 PRO 18 2HD PRO 18 -13.706 -16.684 -3.617 101 H GLY 19 H GLY 19 -14.441 -13.089 -3.957 102 HA2 GLY 19 1HA GLY 19 -14.995 -10.977 -4.646 103 HA3 GLY 19 2HA GLY 19 -15.309 -10.498 -2.990 104 HA PRO 20 HA PRO 20 -11.311 -8.680 -4.090 105 HB3 PRO 20 2HB PRO 20 -12.065 -6.703 -5.000 106 HG3 PRO 20 2HG PRO 20 -14.321 -6.313 -4.720 107 HD3 PRO 20 2HD PRO 20 -15.078 -8.467 -4.455 108 HA PRO 21 HA PRO 21 -9.620 -8.534 -0.198 109 HB3 PRO 21 2HB PRO 21 -7.457 -8.291 -0.952 110 HG3 PRO 21 2HG PRO 21 -7.265 -7.291 -3.021 111 HD3 PRO 21 2HD PRO 21 -9.334 -7.772 -3.900 112 H GLN 22 H GLN 22 -9.142 -7.356 1.865 113 HA GLN 22 HA GLN 22 -11.372 -5.802 2.411 114 HB3 GLN 22 2HB GLN 22 -9.702 -5.196 4.483 115 HG3 GLN 22 2HG GLN 22 -10.644 -8.051 4.337 116 HE21 GLN 22 1HE2 GLN 22 -9.055 -7.700 6.157 117 HE22 GLN 22 2HE2 GLN 22 -9.686 -7.178 7.683 118 H ILE 23 H ILE 23 -7.884 -4.906 1.954 119 HA ILE 23 HA ILE 23 -8.678 -2.384 0.860 120 HB ILE 23 HB ILE 23 -8.771 -2.153 3.410 121 HG13 ILE 23 2HG1 ILE 23 -8.294 0.102 3.234 122 HG21 ILE 23 1HG2 ILE 23 -6.127 -1.415 3.893 123 HG22 ILE 23 2HG2 ILE 23 -6.984 -2.834 4.543 124 HG23 ILE 23 3HG2 ILE 23 -6.011 -2.984 3.060 125 HD11 ILE 23 3HD1 ILE 23 -6.544 0.460 1.037 126 HD12 ILE 23 1HD1 ILE 23 -6.169 0.723 2.757 127 HD13 ILE 23 2HD1 ILE 23 -5.827 -0.853 2.002 128 H VAL 24 H VAL 24 -6.752 -1.184 0.012 129 HA VAL 24 HA VAL 24 -4.395 -2.904 -0.207 130 HB VAL 24 HB VAL 24 -5.874 -1.614 -2.508 131 HG11 VAL 24 1HG1 VAL 24 -4.177 -2.414 -3.962 132 HG12 VAL 24 2HG1 VAL 24 -3.330 -1.604 -2.622 133 HG13 VAL 24 3HG1 VAL 24 -3.421 -3.382 -2.673 134 HG21 VAL 24 3HG2 VAL 24 -7.080 -3.509 -2.440 135 HG22 VAL 24 1HG2 VAL 24 -5.616 -4.305 -3.065 136 HG23 VAL 24 2HG2 VAL 24 -5.948 -4.299 -1.317 137 H LYS 25 H LYS 25 -2.739 -1.738 0.611 138 HA LYS 25 HA LYS 25 -2.746 1.140 0.013 139 HB3 LYS 25 2HB LYS 25 -1.273 1.015 2.275 140 HG3 LYS 25 2HG LYS 25 -4.205 1.043 2.788 141 HD3 LYS 25 2HD LYS 25 -3.174 3.602 3.132 142 HE3 LYS 25 2HE LYS 25 -4.027 1.392 4.763 143 HZ1 LYS 25 3HZ LYS 25 -2.407 2.491 6.598 144 HZ2 LYS 25 1HZ LYS 25 -2.195 1.020 5.923 145 HZ3 LYS 25 2HZ LYS 25 -1.399 2.314 5.325 146 H ILE 26 H ILE 26 -0.358 2.024 0.318 147 HA ILE 26 HA ILE 26 1.428 0.062 -0.947 148 HB ILE 26 HB ILE 26 1.018 2.982 -1.583 149 HG13 ILE 26 2HG1 ILE 26 -0.196 0.695 -2.604 150 HG21 ILE 26 1HG2 ILE 26 2.953 1.606 -3.258 151 HG22 ILE 26 2HG2 ILE 26 3.071 3.170 -2.416 152 HG23 ILE 26 3HG2 ILE 26 3.473 1.664 -1.557 153 HD11 ILE 26 3HD1 ILE 26 -0.535 2.462 -4.622 154 HD12 ILE 26 1HD1 ILE 26 -1.353 2.647 -3.051 155 HD13 ILE 26 2HD1 ILE 26 0.130 3.570 -3.398 156 H GLU 27 H GLU 27 2.649 -0.570 0.801 157 HA GLU 27 HA GLU 27 3.233 0.738 3.015 158 HB3 GLU 27 2HB GLU 27 5.687 -0.518 2.052 159 HG3 GLU 27 2HG GLU 27 3.738 -1.944 3.830 160 H ASP 28 H ASP 28 5.007 1.116 -0.118 161 HA ASP 28 HA ASP 28 5.445 3.784 0.205 162 HB3 ASP 28 2HB ASP 28 8.139 2.573 0.607 163 H VAL 29 H VAL 29 7.643 4.367 -1.265 164 HA VAL 29 HA VAL 29 8.062 2.327 -3.281 165 HB VAL 29 HB VAL 29 6.131 3.311 -4.190 166 HG11 VAL 29 1HG1 VAL 29 5.639 5.639 -4.312 167 HG12 VAL 29 2HG1 VAL 29 6.187 5.324 -2.648 168 HG13 VAL 29 3HG1 VAL 29 7.289 6.086 -3.820 169 HG21 VAL 29 3HG2 VAL 29 8.404 4.821 -5.512 170 HG22 VAL 29 1HG2 VAL 29 8.125 3.076 -5.718 171 HG23 VAL 29 2HG2 VAL 29 6.895 4.243 -6.257 172 H TRP 30 H TRP 30 10.200 2.288 -3.742 173 HA TRP 30 HA TRP 30 11.664 4.818 -3.471 174 HB3 TRP 30 2HB TRP 30 12.114 3.592 -1.466 175 HD1 TRP 30 HD TRP 30 14.520 1.214 -3.129 176 HE1 TRP 30 1HE TRP 30 13.911 -1.314 -2.684 177 HE3 TRP 30 3HE TRP 30 9.912 2.122 -1.179 178 HZ2 TRP 30 2HZ TRP 30 11.621 -2.621 -1.591 179 HZ3 TRP 30 3HZ TRP 30 8.555 0.164 -0.448 180 HH2 TRP 30 HH TRP 30 9.340 -2.144 -0.628 181 H GLY 31 H GLY 31 13.435 5.027 -4.977 182 HA2 GLY 31 1HA GLY 31 14.144 4.877 -7.134 183 HA3 GLY 31 2HA GLY 31 14.617 3.277 -6.601 184 H GLU 32 H GLU 32 13.950 1.652 -7.926 185 HA GLU 32 HA GLU 32 11.496 2.143 -9.418 186 HB3 GLU 32 2HB GLU 32 12.369 0.536 -11.078 187 HG3 GLU 32 2HG GLU 32 14.231 2.774 -10.195 188 H ASN 33 H ASN 33 11.423 1.273 -6.664 189 HA ASN 33 HA ASN 33 10.290 -1.366 -7.117 190 HB3 ASN 33 2HB ASN 33 11.125 -2.093 -4.883 191 HD21 ASN 33 1HD2 ASN 33 13.673 0.092 -5.827 192 HD22 ASN 33 2HD2 ASN 33 14.686 -1.045 -6.653 193 H VAL 34 H VAL 34 8.175 -1.480 -6.291 194 HA VAL 34 HA VAL 34 7.367 0.720 -4.518 195 HB VAL 34 HB VAL 34 6.117 -0.608 -6.865 196 HG11 VAL 34 1HG1 VAL 34 3.869 0.396 -5.934 197 HG12 VAL 34 2HG1 VAL 34 4.384 -1.245 -5.475 198 HG13 VAL 34 3HG1 VAL 34 4.638 0.114 -4.353 199 HG21 VAL 34 3HG2 VAL 34 5.477 1.601 -7.452 200 HG22 VAL 34 1HG2 VAL 34 5.749 2.202 -5.799 201 HG23 VAL 34 2HG2 VAL 34 7.133 1.727 -6.811 202 H ALA 35 H ALA 35 5.973 0.220 -2.736 203 HA ALA 35 HA ALA 35 6.028 -2.638 -2.043 204 HB1 ALA 35 3HB ALA 35 6.483 -0.111 -0.464 205 HB2 ALA 35 1HB ALA 35 5.836 -1.555 0.353 206 HB3 ALA 35 2HB ALA 35 7.415 -1.629 -0.467 207 H LEU 36 H LEU 36 4.061 -3.592 -2.082 208 HA LEU 36 HA LEU 36 1.736 -1.830 -1.765 209 HB3 LEU 36 2HB LEU 36 0.584 -3.886 -2.838 210 HG LEU 36 HG LEU 36 2.339 -1.932 -4.293 211 HD11 LEU 36 1HD1 LEU 36 2.334 -4.243 -5.439 212 HD12 LEU 36 2HD1 LEU 36 0.629 -3.892 -5.810 213 HD13 LEU 36 3HD1 LEU 36 1.910 -2.811 -6.407 214 HD21 LEU 36 3HD2 LEU 36 -0.080 -1.532 -5.299 215 HD22 LEU 36 1HD2 LEU 36 -0.577 -2.319 -3.781 216 HD23 LEU 36 2HD2 LEU 36 0.414 -0.841 -3.735 217 H THR 37 H THR 37 -0.028 -2.530 -0.409 218 HA THR 37 HA THR 37 0.467 -4.830 1.292 219 HB THR 37 HB THR 37 0.005 -3.142 3.294 220 HG1 THR 37 1HG THR 37 -0.319 -1.331 1.802 221 HG21 THR 37 3HG2 THR 37 2.354 -4.264 2.303 222 HG22 THR 37 1HG2 THR 37 2.713 -2.522 2.236 223 HG23 THR 37 2HG2 THR 37 2.252 -3.275 3.781 224 H TRP 38 H TRP 38 -1.354 -5.944 0.915 225 HA TRP 38 HA TRP 38 -3.859 -4.407 1.065 226 HB3 TRP 38 2HB TRP 38 -3.539 -5.234 -1.163 227 HD1 TRP 38 HD TRP 38 -4.516 -8.754 -0.075 228 HE1 TRP 38 1HE TRP 38 -2.776 -10.558 -0.904 229 HE3 TRP 38 3HE TRP 38 -1.011 -5.420 -1.643 230 HZ2 TRP 38 2HZ TRP 38 -0.188 -10.391 -2.095 231 HZ3 TRP 38 3HZ TRP 38 1.094 -6.324 -2.627 232 HH2 TRP 38 HH TRP 38 1.532 -8.717 -2.865 233 H THR 39 H THR 39 -5.630 -5.489 2.210 234 HA THR 39 HA THR 39 -4.601 -7.231 4.315 235 HB THR 39 HB THR 39 -6.976 -6.631 5.239 236 HG1 THR 39 1HG THR 39 -7.793 -4.712 4.053 237 HG21 THR 39 3HG2 THR 39 -4.966 -4.402 4.617 238 HG22 THR 39 1HG2 THR 39 -6.313 -4.253 5.770 239 HG23 THR 39 2HG2 THR 39 -4.994 -5.406 6.087 240 HA PRO 40 HA PRO 40 -6.558 -10.753 2.847 241 HB3 PRO 40 2HB PRO 40 -5.532 -12.081 4.423 242 HG3 PRO 40 2HG PRO 40 -4.862 -10.971 6.330 243 HD3 PRO 40 2HD PRO 40 -4.659 -8.833 5.508 244 HA PRO 41 HA PRO 41 -10.787 -10.445 2.785 245 HB3 PRO 41 2HB PRO 41 -10.995 -11.807 0.940 246 HG3 PRO 41 2HG PRO 41 -9.250 -13.286 0.634 247 HD3 PRO 41 2HD PRO 41 -7.578 -12.182 1.760 248 H LYS 42 H LYS 42 -12.759 -10.635 3.902 249 HA LYS 42 HA LYS 42 -12.283 -11.648 6.560 250 HB3 LYS 42 2HB LYS 42 -14.873 -10.751 6.523 251 HG3 LYS 42 2HG LYS 42 -12.514 -8.844 6.707 252 HD3 LYS 42 2HD LYS 42 -14.050 -8.512 8.948 253 HE3 LYS 42 2HE LYS 42 -13.802 -7.198 6.325 254 HZ1 LYS 42 3HZ LYS 42 -15.950 -5.935 7.459 255 HZ2 LYS 42 1HZ LYS 42 -15.915 -6.716 6.026 256 HZ3 LYS 42 2HZ LYS 42 -16.379 -7.509 7.375 257 H ASP 43 H ASP 43 -13.230 -12.974 3.612 258 HA ASP 43 HA ASP 43 -14.994 -14.862 4.952 259 HB3 ASP 43 2HB ASP 43 -14.554 -14.593 1.951 260 H ASP 44 H ASP 44 -14.631 -17.210 4.420 261 HA ASP 44 HA ASP 44 -12.541 -18.091 2.875 262 HB3 ASP 44 2HB ASP 44 -11.031 -17.059 4.509 263 H GLY 45 H GLY 45 -14.205 -19.675 2.413 264 HA2 GLY 45 1HA GLY 45 -14.269 -21.940 4.139 265 HA3 GLY 45 2HA GLY 45 -15.769 -21.039 4.229 266 H ASN 46 H ASN 46 -17.019 -20.650 2.220 267 HA ASN 46 HA ASN 46 -17.535 -22.819 0.807 268 HB3 ASN 46 2HB ASN 46 -18.254 -21.160 -1.091 269 HD21 ASN 46 1HD2 ASN 46 -18.678 -19.268 1.751 270 HD22 ASN 46 2HD2 ASN 46 -20.249 -19.829 2.219 271 H ALA 47 H ALA 47 -15.317 -20.122 -0.253 272 HA ALA 47 HA ALA 47 -13.933 -22.082 -1.950 273 HB1 ALA 47 3HB ALA 47 -15.295 -19.604 -2.660 274 HB2 ALA 47 1HB ALA 47 -13.570 -19.540 -3.095 275 HB3 ALA 47 2HB ALA 47 -14.596 -20.854 -3.717 276 H ALA 48 H ALA 48 -12.519 -22.422 -0.078 277 HA ALA 48 HA ALA 48 -11.217 -20.458 1.315 278 HB1 ALA 48 3HB ALA 48 -9.402 -22.268 1.529 279 HB2 ALA 48 1HB ALA 48 -11.049 -22.719 2.030 280 HB3 ALA 48 2HB ALA 48 -10.421 -23.256 0.454 281 H ILE 49 H ILE 49 -9.857 -18.842 0.744 282 HA ILE 49 HA ILE 49 -9.029 -18.483 -1.888 283 HB ILE 49 HB ILE 49 -8.107 -17.270 0.715 284 HG13 ILE 49 2HG1 ILE 49 -10.347 -16.806 -1.137 285 HG21 ILE 49 1HG2 ILE 49 -6.369 -17.164 -1.112 286 HG22 ILE 49 2HG2 ILE 49 -7.529 -16.194 -2.051 287 HG23 ILE 49 3HG2 ILE 49 -6.930 -15.596 -0.485 288 HD11 ILE 49 3HD1 ILE 49 -9.602 -16.178 1.741 289 HD12 ILE 49 1HD1 ILE 49 -11.049 -15.466 0.985 290 HD13 ILE 49 2HD1 ILE 49 -10.902 -17.234 1.134 291 H THR 50 H THR 50 -6.898 -18.574 -2.853 292 HA THR 50 HA THR 50 -5.171 -20.564 -1.530 293 HB THR 50 HB THR 50 -4.740 -21.474 -3.752 294 HG1 THR 50 1HG THR 50 -6.498 -19.291 -4.617 295 HG21 THR 50 3HG2 THR 50 -6.754 -22.546 -3.816 296 HG22 THR 50 1HG2 THR 50 -7.432 -21.311 -2.729 297 HG23 THR 50 2HG2 THR 50 -7.511 -21.084 -4.492 298 H GLY 51 H GLY 51 -5.297 -17.699 -3.725 299 HA2 GLY 51 1HA GLY 51 -2.860 -16.714 -2.501 300 HA3 GLY 51 2HA GLY 51 -2.710 -17.168 -4.186 301 H TYR 52 H TYR 52 -2.208 -14.752 -4.358 302 HA TYR 52 HA TYR 52 -4.692 -13.385 -5.028 303 HB3 TYR 52 2HB TYR 52 -3.893 -11.395 -3.744 304 HD1 TYR 52 2HD TYR 52 -2.263 -13.950 -1.659 305 HD2 TYR 52 1HD TYR 52 -5.935 -11.931 -2.517 306 HE1 TYR 52 2HE TYR 52 -3.258 -14.823 0.512 307 HE2 TYR 52 1HE TYR 52 -6.918 -12.812 -0.344 308 HH TYR 52 HH TYR 52 -6.522 -13.859 1.513 309 H THR 53 H THR 53 -4.522 -12.387 -6.983 310 HA THR 53 HA THR 53 -1.868 -12.298 -8.187 311 HB THR 53 HB THR 53 -4.717 -11.962 -9.259 312 HG1 THR 53 1HG THR 53 -3.833 -14.107 -8.514 313 HG21 THR 53 3HG2 THR 53 -3.831 -11.819 -11.443 314 HG22 THR 53 1HG2 THR 53 -2.671 -10.814 -10.541 315 HG23 THR 53 2HG2 THR 53 -2.260 -12.496 -10.951 316 H ILE 54 H ILE 54 -0.933 -10.436 -9.107 317 HA ILE 54 HA ILE 54 -2.186 -7.930 -8.243 318 HB ILE 54 HB ILE 54 0.666 -8.814 -7.846 319 HG13 ILE 54 2HG1 ILE 54 -1.665 -8.681 -6.162 320 HG21 ILE 54 1HG2 ILE 54 1.128 -6.523 -7.058 321 HG22 ILE 54 2HG2 ILE 54 0.738 -6.585 -8.793 322 HG23 ILE 54 3HG2 ILE 54 -0.481 -6.018 -7.628 323 HD11 ILE 54 3HD1 ILE 54 0.389 -9.412 -4.535 324 HD12 ILE 54 1HD1 ILE 54 -0.365 -10.527 -5.700 325 HD13 ILE 54 2HD1 ILE 54 1.150 -9.692 -6.120 326 H GLN 55 H GLN 55 -1.739 -6.097 -9.607 327 HA GLN 55 HA GLN 55 -0.274 -6.674 -12.017 328 HB3 GLN 55 2HB GLN 55 -2.201 -5.795 -13.430 329 HG3 GLN 55 2HG GLN 55 -3.239 -8.237 -12.026 330 HE21 GLN 55 1HE2 GLN 55 -3.936 -9.785 -13.535 331 HE22 GLN 55 2HE2 GLN 55 -4.290 -9.376 -15.180 332 H LYS 56 H LYS 56 0.184 -4.664 -13.288 333 HA LYS 56 HA LYS 56 -0.164 -2.261 -11.637 334 HB3 LYS 56 2HB LYS 56 2.130 -3.161 -11.426 335 HG3 LYS 56 2HG LYS 56 2.392 -2.496 -14.393 336 HD3 LYS 56 2HD LYS 56 4.233 -3.927 -12.417 337 HE3 LYS 56 2HE LYS 56 4.876 -3.010 -15.248 338 HZ1 LYS 56 3HZ LYS 56 6.443 -5.001 -14.709 339 HZ2 LYS 56 1HZ LYS 56 6.813 -3.486 -14.224 340 HZ3 LYS 56 2HZ LYS 56 6.167 -4.548 -13.164 341 H ALA 57 H ALA 57 -0.221 -0.231 -12.860 342 HA ALA 57 HA ALA 57 -0.453 -0.421 -15.718 343 HB1 ALA 57 3HB ALA 57 -2.770 -0.814 -14.110 344 HB2 ALA 57 1HB ALA 57 -2.891 0.821 -14.804 345 HB3 ALA 57 2HB ALA 57 -2.687 -0.588 -15.874 346 H ASP 58 H ASP 58 0.800 1.286 -16.283 347 HA ASP 58 HA ASP 58 1.502 3.310 -14.623 348 HB3 ASP 58 2HB ASP 58 2.520 4.288 -16.504 349 H LYS 59 H LYS 59 0.971 5.782 -15.098 350 HA LYS 59 HA LYS 59 -1.926 6.014 -15.088 351 HB3 LYS 59 2HB LYS 59 -0.710 8.519 -14.608 352 HG3 LYS 59 2HG LYS 59 -1.288 7.458 -12.117 353 HD3 LYS 59 2HD LYS 59 -3.784 8.148 -12.915 354 HE3 LYS 59 2HE LYS 59 -1.337 9.842 -12.355 355 HZ1 LYS 59 3HZ LYS 59 -3.760 11.267 -12.261 356 HZ2 LYS 59 1HZ LYS 59 -2.356 11.672 -12.991 357 HZ3 LYS 59 2HZ LYS 59 -3.460 10.768 -13.787 358 H LYS 60 H LYS 60 -0.288 5.422 -17.566 359 HA LYS 60 HA LYS 60 -0.903 7.878 -19.050 360 HB3 LYS 60 2HB LYS 60 0.698 7.077 -20.720 361 HG3 LYS 60 2HG LYS 60 1.299 8.073 -18.174 362 HD3 LYS 60 2HD LYS 60 2.423 5.386 -18.442 363 HE3 LYS 60 2HE LYS 60 4.418 7.640 -17.926 364 HZ1 LYS 60 3HZ LYS 60 4.780 5.515 -16.820 365 HZ2 LYS 60 1HZ LYS 60 4.778 4.743 -18.259 366 HZ3 LYS 60 2HZ LYS 60 5.946 5.831 -17.918 367 H SER 61 H SER 61 -1.099 4.261 -19.150 368 HA SER 61 HA SER 61 -3.415 4.642 -20.884 369 HB3 SER 61 2HB SER 61 -2.117 1.986 -20.998 370 HG SER 61 HG SER 61 -3.568 2.438 -22.628 371 H MET 62 H MET 62 -2.200 3.619 -17.855 372 HA MET 62 HA MET 62 -2.933 2.339 -16.239 373 HB3 MET 62 2HB MET 62 -4.662 4.237 -16.433 374 HG3 MET 62 2HG MET 62 -6.007 2.078 -18.058 375 HE1 MET 62 3HE MET 62 -8.307 1.426 -15.292 376 HE2 MET 62 1HE MET 62 -6.565 1.365 -15.651 377 HE3 MET 62 2HE MET 62 -7.191 2.545 -14.473 378 H GLU 63 H GLU 63 -2.585 0.958 -18.874 379 HA GLU 63 HA GLU 63 -4.726 -0.879 -19.084 380 HB3 GLU 63 2HB GLU 63 -3.161 -2.046 -20.696 381 HG3 GLU 63 2HG GLU 63 -3.786 0.911 -20.879 382 H TRP 64 H TRP 64 -4.987 -2.871 -18.109 383 HA TRP 64 HA TRP 64 -2.981 -3.578 -16.122 384 HB3 TRP 64 2HB TRP 64 -4.664 -4.979 -15.163 385 HD1 TRP 64 HD TRP 64 -7.275 -2.633 -16.621 386 HE1 TRP 64 1HE TRP 64 -7.865 -0.661 -14.970 387 HE3 TRP 64 3HE TRP 64 -3.479 -3.529 -13.358 388 HZ2 TRP 64 2HZ TRP 64 -6.703 0.283 -12.540 389 HZ3 TRP 64 3HZ TRP 64 -3.278 -2.035 -11.372 390 HH2 TRP 64 HH TRP 64 -4.812 -0.182 -10.938 391 H PHE 65 H PHE 65 -1.443 -5.078 -16.621 392 HA PHE 65 HA PHE 65 -2.067 -6.909 -18.830 393 HB3 PHE 65 2HB PHE 65 0.754 -6.652 -17.988 394 HD1 PHE 65 2HD PHE 65 -1.589 -5.272 -20.559 395 HD2 PHE 65 1HD PHE 65 1.992 -7.406 -19.766 396 HE1 PHE 65 2HE PHE 65 -1.236 -5.593 -23.022 397 HE2 PHE 65 1HE PHE 65 2.345 -7.727 -22.231 398 HZ PHE 65 HZ PHE 65 0.727 -6.817 -23.830 399 H THR 66 H THR 66 0.284 -6.782 -16.055 400 HA THR 66 HA THR 66 -0.728 -8.687 -14.443 401 HB THR 66 HB THR 66 0.326 -9.855 -16.994 402 HG1 THR 66 1HG THR 66 -1.307 -10.792 -14.743 403 HG21 THR 66 3HG2 THR 66 0.941 -11.976 -15.795 404 HG22 THR 66 1HG2 THR 66 2.072 -10.656 -15.408 405 HG23 THR 66 2HG2 THR 66 0.809 -11.116 -14.242 406 H VAL 67 H VAL 67 0.625 -9.114 -12.705 407 HA VAL 67 HA VAL 67 3.362 -8.099 -13.030 408 HB VAL 67 HB VAL 67 1.320 -7.543 -10.887 409 HG11 VAL 67 1HG1 VAL 67 2.889 -7.579 -9.304 410 HG12 VAL 67 2HG1 VAL 67 4.135 -8.016 -10.498 411 HG13 VAL 67 3HG1 VAL 67 3.768 -6.304 -10.181 412 HG21 VAL 67 3HG2 VAL 67 3.168 -5.651 -12.371 413 HG22 VAL 67 1HG2 VAL 67 1.522 -6.055 -12.915 414 HG23 VAL 67 2HG2 VAL 67 1.767 -5.240 -11.352 415 H ILE 68 H ILE 68 1.059 -10.211 -11.223 416 HA ILE 68 HA ILE 68 3.075 -12.247 -11.110 417 HB ILE 68 HB ILE 68 2.965 -10.442 -8.986 418 HG13 ILE 68 2HG1 ILE 68 4.605 -11.937 -7.968 419 HG21 ILE 68 1HG2 ILE 68 2.265 -11.845 -7.080 420 HG22 ILE 68 2HG2 ILE 68 0.914 -11.433 -8.163 421 HG23 ILE 68 3HG2 ILE 68 1.638 -13.057 -8.223 422 HD11 ILE 68 3HD1 ILE 68 5.059 -14.137 -8.808 423 HD12 ILE 68 1HD1 ILE 68 3.296 -14.073 -8.576 424 HD13 ILE 68 2HD1 ILE 68 3.986 -13.903 -10.208 425 H GLU 69 H GLU 69 2.114 -14.287 -10.065 426 HA GLU 69 HA GLU 69 -0.777 -14.227 -10.127 427 HB3 GLU 69 2HB GLU 69 -0.747 -16.335 -11.575 428 HG3 GLU 69 2HG GLU 69 0.476 -14.355 -13.377 429 H HIS 70 H HIS 70 -1.763 -16.084 -9.019 430 HA HIS 70 HA HIS 70 -1.836 -17.247 -7.122 431 HB3 HIS 70 2HB HIS 70 -1.528 -18.968 -8.769 432 HD1 HIS 70 1HD HIS 70 1.624 -20.286 -7.647 433 HD2 HIS 70 2HD HIS 70 0.429 -17.703 -10.728 434 HE1 HIS 70 1HE HIS 70 3.531 -20.266 -9.342 435 H TYR 71 H TYR 71 -1.101 -15.662 -5.603 436 HA TYR 71 HA TYR 71 1.722 -15.980 -4.840 437 HB3 TYR 71 2HB TYR 71 -0.173 -13.770 -3.937 438 HD1 TYR 71 1HD TYR 71 3.144 -14.411 -5.589 439 HD2 TYR 71 2HD TYR 71 0.949 -12.204 -2.655 440 HE1 TYR 71 1HE TYR 71 5.282 -13.246 -4.857 441 HE2 TYR 71 2HE TYR 71 3.093 -11.046 -1.932 442 HH TYR 71 HH TYR 71 5.433 -10.550 -3.342 443 H HIS 72 H HIS 72 1.721 -14.973 -2.296 444 HA HIS 72 HA HIS 72 -0.295 -16.534 -0.874 445 HB3 HIS 72 2HB HIS 72 1.839 -16.966 0.713 446 HD1 HIS 72 1HD HIS 72 1.829 -18.666 -2.699 447 HD2 HIS 72 2HD HIS 72 0.507 -19.339 1.225 448 HE1 HIS 72 1HE HIS 72 1.006 -21.081 -2.626 449 H ARG 73 H ARG 73 2.653 -14.588 -0.019 450 HA ARG 73 HA ARG 73 1.632 -13.442 2.180 451 HB3 ARG 73 2HB ARG 73 3.232 -11.528 0.580 452 HG3 ARG 73 2HG ARG 73 2.959 -12.199 3.255 453 HD3 ARG 73 2HD ARG 73 5.758 -12.839 3.178 454 HE ARG 73 HE ARG 73 3.529 -13.633 4.648 455 HH11 ARG 73 2HH2 ARG 73 6.220 -15.308 3.119 456 HH12 ARG 73 1HH2 ARG 73 6.216 -16.617 4.254 457 HH21 ARG 73 2HH1 ARG 73 3.524 -15.360 6.146 458 HH22 ARG 73 1HH1 ARG 73 4.673 -16.646 5.987 459 H THR 74 H THR 74 1.347 -10.798 2.296 460 HA THR 74 HA THR 74 -0.788 -10.188 0.360 461 HB THR 74 HB THR 74 -1.803 -8.905 2.206 462 HG1 THR 74 1HG THR 74 0.455 -9.908 3.766 463 HG21 THR 74 3HG2 THR 74 -1.886 -10.706 4.054 464 HG22 THR 74 1HG2 THR 74 -2.396 -11.249 2.438 465 HG23 THR 74 2HG2 THR 74 -0.774 -11.660 3.043 466 H SER 75 H SER 75 2.355 -9.719 0.522 467 HA SER 75 HA SER 75 2.062 -7.014 -0.463 468 HB3 SER 75 2HB SER 75 3.109 -6.133 1.334 469 HG SER 75 HG SER 75 2.997 -8.783 2.103 470 H ALA 76 H ALA 76 3.540 -6.512 -2.171 471 HA ALA 76 HA ALA 76 5.607 -8.446 -2.781 472 HB1 ALA 76 3HB ALA 76 3.397 -7.820 -4.778 473 HB2 ALA 76 1HB ALA 76 4.764 -8.940 -4.997 474 HB3 ALA 76 2HB ALA 76 3.482 -9.317 -3.820 475 H THR 77 H THR 77 7.282 -7.537 -4.039 476 HA THR 77 HA THR 77 7.118 -4.627 -4.238 477 HB THR 77 HB THR 77 9.462 -6.591 -4.463 478 HG1 THR 77 1HG THR 77 9.707 -5.918 -2.234 479 HG21 THR 77 3HG2 THR 77 9.709 -4.180 -5.454 480 HG22 THR 77 1HG2 THR 77 9.535 -3.621 -3.773 481 HG23 THR 77 2HG2 THR 77 10.893 -4.681 -4.223 482 H ILE 78 H ILE 78 6.797 -3.565 -6.088 483 HA ILE 78 HA ILE 78 6.730 -5.159 -8.514 484 HB ILE 78 HB ILE 78 5.934 -2.276 -8.131 485 HG13 ILE 78 2HG1 ILE 78 3.689 -2.988 -7.666 486 HG21 ILE 78 1HG2 ILE 78 6.303 -3.458 -10.454 487 HG22 ILE 78 2HG2 ILE 78 4.704 -4.159 -10.106 488 HG23 ILE 78 3HG2 ILE 78 4.905 -2.391 -10.176 489 HD11 ILE 78 3HD1 ILE 78 4.799 -5.671 -8.405 490 HD12 ILE 78 1HD1 ILE 78 3.626 -5.634 -7.067 491 HD13 ILE 78 2HD1 ILE 78 3.170 -5.003 -8.667 492 H THR 79 H THR 79 8.095 -4.877 -10.272 493 HA THR 79 HA THR 79 10.285 -2.951 -9.843 494 HB THR 79 HB THR 79 11.564 -4.787 -11.238 495 HG1 THR 79 1HG THR 79 10.433 -6.757 -11.269 496 HG21 THR 79 3HG2 THR 79 11.696 -6.324 -9.119 497 HG22 THR 79 1HG2 THR 79 12.237 -4.637 -8.939 498 HG23 THR 79 2HG2 THR 79 10.627 -5.123 -8.355 499 H GLU 80 H GLU 80 11.519 -2.725 -12.127 500 HA GLU 80 HA GLU 80 11.451 -1.820 -14.098 501 HB3 GLU 80 2HB GLU 80 9.183 -2.619 -15.469 502 HG3 GLU 80 2HG GLU 80 11.262 -4.728 -15.177 503 H LEU 81 H LEU 81 10.868 0.060 -12.429 504 HA LEU 81 HA LEU 81 8.417 1.315 -13.452 505 HB3 LEU 81 2HB LEU 81 8.303 2.469 -11.236 506 HG LEU 81 HG LEU 81 8.058 -0.549 -11.215 507 HD11 LEU 81 1HD1 LEU 81 8.242 1.045 -8.959 508 HD12 LEU 81 2HD1 LEU 81 6.488 0.880 -9.213 509 HD13 LEU 81 3HD1 LEU 81 7.505 -0.572 -9.057 510 HD21 LEU 81 3HD2 LEU 81 5.546 0.254 -11.139 511 HD22 LEU 81 1HD2 LEU 81 6.227 1.716 -11.892 512 HD23 LEU 81 2HD2 LEU 81 6.433 0.132 -12.677 513 H VAL 82 H VAL 82 8.606 3.393 -14.237 514 HA VAL 82 HA VAL 82 11.341 4.348 -14.483 515 HB VAL 82 HB VAL 82 8.725 5.008 -15.829 516 HG11 VAL 82 1HG1 VAL 82 10.997 6.746 -15.467 517 HG12 VAL 82 2HG1 VAL 82 10.839 6.312 -17.186 518 HG13 VAL 82 3HG1 VAL 82 9.467 7.051 -16.326 519 HG21 VAL 82 3HG2 VAL 82 11.325 4.023 -17.035 520 HG22 VAL 82 1HG2 VAL 82 10.036 2.934 -16.465 521 HG23 VAL 82 2HG2 VAL 82 9.713 4.081 -17.789 522 H ILE 83 H ILE 83 12.135 6.145 -13.456 523 HA ILE 83 HA ILE 83 10.547 7.211 -11.334 524 HB ILE 83 HB ILE 83 13.338 7.738 -12.341 525 HG13 ILE 83 2HG1 ILE 83 12.813 5.552 -11.213 526 HG21 ILE 83 1HG2 ILE 83 13.255 8.839 -9.835 527 HG22 ILE 83 2HG2 ILE 83 13.183 9.747 -11.365 528 HG23 ILE 83 3HG2 ILE 83 11.681 9.327 -10.507 529 HD11 ILE 83 3HD1 ILE 83 15.062 5.904 -10.924 530 HD12 ILE 83 1HD1 ILE 83 14.828 7.572 -10.351 531 HD13 ILE 83 2HD1 ILE 83 14.588 6.207 -9.235 532 H GLY 84 H GLY 84 9.583 9.231 -11.162 533 HA2 GLY 84 1HA GLY 84 9.196 11.429 -11.838 534 HA3 GLY 84 2HA GLY 84 9.883 11.085 -13.414 535 H ASN 85 H ASN 85 7.558 8.888 -11.817 536 HA ASN 85 HA ASN 85 5.326 10.003 -13.144 537 HB3 ASN 85 2HB ASN 85 5.010 7.593 -14.340 538 HD21 ASN 85 1HD2 ASN 85 7.533 8.182 -16.181 539 HD22 ASN 85 2HD2 ASN 85 6.979 9.469 -17.199 540 H GLU 86 H GLU 86 3.328 8.540 -12.695 541 HA GLU 86 HA GLU 86 3.871 6.933 -10.321 542 HB3 GLU 86 2HB GLU 86 2.602 9.058 -9.894 543 HG3 GLU 86 2HG GLU 86 0.078 8.807 -10.620 544 H TYR 87 H TYR 87 2.122 5.187 -9.927 545 HA TYR 87 HA TYR 87 0.846 4.272 -12.370 546 HB3 TYR 87 2HB TYR 87 2.003 2.051 -12.098 547 HD1 TYR 87 1HD TYR 87 4.376 4.725 -10.976 548 HD2 TYR 87 2HD TYR 87 3.090 2.178 -14.164 549 HE1 TYR 87 1HE TYR 87 6.333 5.506 -12.400 550 HE2 TYR 87 2HE TYR 87 5.052 2.967 -15.576 551 HH TYR 87 HH TYR 87 7.142 5.567 -14.464 552 H TYR 88 H TYR 88 -0.477 2.204 -11.880 553 HA TYR 88 HA TYR 88 -1.606 2.526 -9.186 554 HB3 TYR 88 2HB TYR 88 -3.545 1.285 -10.519 555 HD1 TYR 88 1HD TYR 88 -3.193 3.791 -8.949 556 HD2 TYR 88 2HD TYR 88 -3.878 3.207 -13.132 557 HE1 TYR 88 1HE TYR 88 -4.271 6.089 -9.100 558 HE2 TYR 88 2HE TYR 88 -4.954 5.506 -13.269 559 HH TYR 88 HH TYR 88 -5.363 7.483 -10.350 560 H PHE 89 H PHE 89 -3.023 0.254 -8.824 561 HA PHE 89 HA PHE 89 -1.523 -2.059 -9.558 562 HB3 PHE 89 2HB PHE 89 -1.011 -2.563 -7.084 563 HD1 PHE 89 1HD PHE 89 0.889 -2.641 -8.943 564 HD2 PHE 89 2HD PHE 89 0.018 0.725 -6.510 565 HE1 PHE 89 1HE PHE 89 3.205 -1.756 -9.337 566 HE2 PHE 89 2HE PHE 89 2.333 1.610 -6.903 567 HZ PHE 89 HZ PHE 89 3.899 0.359 -8.312 568 H ARG 90 H ARG 90 -2.619 -4.037 -8.971 569 HA ARG 90 HA ARG 90 -5.213 -3.565 -7.749 570 HB3 ARG 90 2HB ARG 90 -5.624 -5.689 -9.549 571 HG3 ARG 90 2HG ARG 90 -6.221 -2.979 -10.617 572 HD3 ARG 90 2HD ARG 90 -8.604 -4.219 -9.950 573 HE ARG 90 HE ARG 90 -8.429 -3.721 -12.249 574 HH11 ARG 90 2HH2 ARG 90 -6.066 -6.175 -11.365 575 HH12 ARG 90 1HH2 ARG 90 -5.648 -6.544 -13.005 576 HH21 ARG 90 2HH1 ARG 90 -7.877 -4.208 -14.412 577 HH22 ARG 90 1HH1 ARG 90 -6.685 -5.417 -14.750 578 H VAL 91 H VAL 91 -6.197 -5.626 -6.831 579 HA VAL 91 HA VAL 91 -4.298 -7.792 -6.458 580 HB VAL 91 HB VAL 91 -5.512 -6.228 -4.170 581 HG11 VAL 91 1HG1 VAL 91 -5.213 -8.025 -2.887 582 HG12 VAL 91 2HG1 VAL 91 -4.712 -8.957 -4.318 583 HG13 VAL 91 3HG1 VAL 91 -3.496 -8.092 -3.348 584 HG21 VAL 91 3HG2 VAL 91 -3.687 -4.954 -4.945 585 HG22 VAL 91 1HG2 VAL 91 -3.029 -5.912 -3.596 586 HG23 VAL 91 2HG2 VAL 91 -2.703 -6.400 -5.277 587 H PHE 92 H PHE 92 -5.546 -9.353 -7.410 588 HA PHE 92 HA PHE 92 -8.386 -9.343 -7.030 589 HB3 PHE 92 2HB PHE 92 -8.042 -11.550 -8.368 590 HD1 PHE 92 1HD PHE 92 -8.974 -8.707 -8.817 591 HD2 PHE 92 2HD PHE 92 -5.826 -10.947 -10.570 592 HE1 PHE 92 1HE PHE 92 -9.133 -7.305 -10.893 593 HE2 PHE 92 2HE PHE 92 -5.983 -9.546 -12.645 594 HZ PHE 92 HZ PHE 92 -7.635 -7.741 -12.782 595 H SER 93 H SER 93 -9.122 -11.974 -6.768 596 HA SER 93 HA SER 93 -7.840 -12.820 -4.296 597 HB3 SER 93 2HB SER 93 -10.191 -13.454 -3.482 598 HG SER 93 HG SER 93 -9.897 -10.617 -3.935 599 H GLU 94 H GLU 94 -6.766 -14.557 -5.348 600 HA GLU 94 HA GLU 94 -7.958 -16.162 -7.250 601 HB3 GLU 94 2HB GLU 94 -6.009 -17.673 -5.743 602 HG3 GLU 94 2HG GLU 94 -4.657 -16.658 -7.897 603 H ASN 95 H ASN 95 -8.969 -18.238 -7.153 604 HA ASN 95 HA ASN 95 -9.300 -19.587 -4.734 605 HB3 ASN 95 2HB ASN 95 -10.900 -17.794 -4.185 606 HD21 ASN 95 1HD2 ASN 95 -10.766 -16.183 -5.817 607 HD22 ASN 95 2HD2 ASN 95 -11.995 -16.018 -7.027 608 H MET 96 H MET 96 -10.413 -21.663 -5.143 609 HA MET 96 HA MET 96 -10.023 -22.815 -7.489 610 HB3 MET 96 2HB MET 96 -10.788 -24.004 -5.447 611 HG3 MET 96 2HG MET 96 -13.571 -22.911 -6.078 612 HE1 MET 96 3HE MET 96 -12.692 -23.760 -2.033 613 HE2 MET 96 1HE MET 96 -11.658 -25.070 -2.651 614 HE3 MET 96 2HE MET 96 -11.409 -23.400 -3.213 615 H CYS 97 H CYS 97 -12.821 -20.757 -6.622 616 HA CYS 97 HA CYS 97 -14.399 -21.416 -8.832 617 HB3 CYS 97 2HB CYS 97 -14.752 -18.667 -7.921 618 HG CYS 97 HG CYS 97 -16.803 -20.729 -6.744 619 H GLY 98 H GLY 98 -12.724 -18.242 -8.230 620 HA2 GLY 98 1HA GLY 98 -11.053 -18.184 -10.414 621 HA3 GLY 98 2HA GLY 98 -12.607 -17.639 -11.018 622 H LEU 99 H LEU 99 -9.956 -16.193 -10.519 623 HA LEU 99 HA LEU 99 -9.921 -14.574 -8.367 624 HB3 LEU 99 2HB LEU 99 -8.903 -12.868 -9.903 625 HG LEU 99 HG LEU 99 -7.827 -15.325 -9.155 626 HD11 LEU 99 1HD1 LEU 99 -7.277 -14.884 -12.102 627 HD12 LEU 99 2HD1 LEU 99 -6.507 -16.094 -11.047 628 HD13 LEU 99 3HD1 LEU 99 -8.246 -16.207 -11.410 629 HD21 LEU 99 3HD2 LEU 99 -6.442 -13.010 -10.536 630 HD22 LEU 99 1HD2 LEU 99 -6.846 -13.101 -8.805 631 HD23 LEU 99 2HD2 LEU 99 -5.674 -14.242 -9.508 632 H SER 100 H SER 100 -10.550 -12.197 -8.174 633 HA SER 100 HA SER 100 -13.363 -12.079 -8.619 634 HB3 SER 100 2HB SER 100 -12.699 -11.244 -6.510 635 HG SER 100 HG SER 100 -10.913 -9.286 -7.568 636 H GLU 101 H GLU 101 -14.444 -10.851 -10.168 637 HA GLU 101 HA GLU 101 -13.187 -10.115 -12.443 638 HB3 GLU 101 2HB GLU 101 -15.450 -8.368 -12.088 639 HG3 GLU 101 2HG GLU 101 -15.958 -11.012 -13.304 640 H ASP 102 H ASP 102 -13.868 -8.122 -9.519 641 HA ASP 102 HA ASP 102 -12.239 -6.041 -10.751 642 HB3 ASP 102 2HB ASP 102 -14.246 -4.934 -10.340 643 H ALA 103 H ALA 103 -10.738 -4.900 -9.213 644 HA ALA 103 HA ALA 103 -10.245 -6.409 -6.747 645 HB1 ALA 103 3HB ALA 103 -8.694 -6.698 -8.984 646 HB2 ALA 103 1HB ALA 103 -7.870 -5.346 -8.171 647 HB3 ALA 103 2HB ALA 103 -8.096 -6.892 -7.319 648 H THR 104 H THR 104 -9.474 -5.147 -4.992 649 HA THR 104 HA THR 104 -10.242 -2.403 -5.123 650 HB THR 104 HB THR 104 -8.932 -4.182 -3.006 651 HG1 THR 104 1HG THR 104 -11.125 -4.329 -2.397 652 HG21 THR 104 3HG2 THR 104 -8.635 -2.315 -1.724 653 HG22 THR 104 1HG2 THR 104 -9.226 -1.287 -3.052 654 HG23 THR 104 2HG2 THR 104 -10.376 -1.975 -1.880 655 H MET 105 H MET 105 -9.042 -1.163 -6.506 656 HA MET 105 HA MET 105 -6.198 -1.413 -6.446 657 HB3 MET 105 2HB MET 105 -8.151 0.470 -7.875 658 HG3 MET 105 2HG MET 105 -5.594 0.361 -9.183 659 HE1 MET 105 3HE MET 105 -6.712 1.390 -10.709 660 HE2 MET 105 1HE MET 105 -7.627 2.916 -10.669 661 HE3 MET 105 2HE MET 105 -5.850 2.947 -10.769 662 H THR 106 H THR 106 -4.691 0.091 -5.616 663 HA THR 106 HA THR 106 -5.177 1.346 -3.286 664 HB THR 106 HB THR 106 -3.148 2.773 -3.962 665 HG1 THR 106 1HG THR 106 -3.660 2.914 -6.230 666 HG21 THR 106 3HG2 THR 106 -1.830 0.573 -4.843 667 HG22 THR 106 1HG2 THR 106 -2.295 0.758 -3.135 668 HG23 THR 106 2HG2 THR 106 -3.296 -0.227 -4.228 669 H LYS 107 H LYS 107 -6.498 2.883 -2.571 670 HA LYS 107 HA LYS 107 -8.264 4.272 -4.021 671 HB3 LYS 107 2HB LYS 107 -7.425 6.031 -1.949 672 HG3 LYS 107 2HG LYS 107 -9.411 4.454 -0.866 673 HD3 LYS 107 2HD LYS 107 -10.701 6.128 -2.791 674 HE3 LYS 107 2HE LYS 107 -9.850 6.549 0.111 675 HZ1 LYS 107 3HZ LYS 107 -10.445 8.556 -1.392 676 HZ2 LYS 107 1HZ LYS 107 -11.980 8.047 -1.166 677 HZ3 LYS 107 2HZ LYS 107 -11.056 8.448 0.119 678 H GLU 108 H GLU 108 -4.788 4.915 -3.741 679 HA GLU 108 HA GLU 108 -5.195 7.065 -5.664 680 HB3 GLU 108 2HB GLU 108 -3.041 8.071 -4.544 681 HG3 GLU 108 2HG GLU 108 -5.843 8.108 -3.358 682 H SER 109 H SER 109 -2.582 7.627 -6.367 683 HA SER 109 HA SER 109 -1.745 5.038 -7.395 684 HB3 SER 109 2HB SER 109 -1.062 7.815 -8.453 685 HG SER 109 HG SER 109 0.395 6.152 -9.169 686 H ALA 110 H ALA 110 0.727 4.849 -7.770 687 HA ALA 110 HA ALA 110 2.070 6.001 -5.429 688 HB1 ALA 110 3HB ALA 110 3.089 3.988 -5.142 689 HB2 ALA 110 1HB ALA 110 1.744 3.375 -6.133 690 HB3 ALA 110 2HB ALA 110 3.314 3.738 -6.890 691 H VAL 111 H VAL 111 3.613 7.523 -5.768 692 HA VAL 111 HA VAL 111 4.400 8.017 -8.522 693 HB VAL 111 HB VAL 111 4.676 9.547 -5.935 694 HG11 VAL 111 1HG1 VAL 111 5.707 11.360 -7.185 695 HG12 VAL 111 2HG1 VAL 111 6.688 9.884 -7.347 696 HG13 VAL 111 3HG1 VAL 111 5.638 10.404 -8.685 697 HG21 VAL 111 3HG2 VAL 111 3.388 10.989 -8.048 698 HG22 VAL 111 1HG2 VAL 111 2.637 9.380 -7.918 699 HG23 VAL 111 2HG2 VAL 111 2.715 10.445 -6.493 700 H ILE 112 H ILE 112 6.350 7.442 -9.355 701 HA ILE 112 HA ILE 112 8.146 6.010 -7.612 702 HB ILE 112 HB ILE 112 8.359 6.580 -10.568 703 HG13 ILE 112 2HG1 ILE 112 7.319 4.413 -10.940 704 HG21 ILE 112 1HG2 ILE 112 10.469 5.881 -9.859 705 HG22 ILE 112 2HG2 ILE 112 9.800 4.727 -8.681 706 HG23 ILE 112 3HG2 ILE 112 9.691 4.383 -10.424 707 HD11 ILE 112 3HD1 ILE 112 6.064 3.984 -8.391 708 HD12 ILE 112 1HD1 ILE 112 7.152 2.890 -9.277 709 HD13 ILE 112 2HD1 ILE 112 7.822 4.069 -8.125 710 H ALA 113 H ALA 113 10.375 6.550 -7.268 711 HA ALA 113 HA ALA 113 11.585 8.838 -8.281 712 HB1 ALA 113 3HB ALA 113 9.709 9.299 -6.075 713 HB2 ALA 113 1HB ALA 113 11.360 9.839 -5.688 714 HB3 ALA 113 2HB ALA 113 10.533 10.469 -7.132 715 H ARG 114 H ARG 114 13.738 9.133 -7.355 716 HA ARG 114 HA ARG 114 14.614 6.676 -6.181 717 HB3 ARG 114 2HB ARG 114 16.632 8.822 -6.525 718 HG3 ARG 114 2HG ARG 114 16.556 6.345 -8.215 719 HD3 ARG 114 2HD ARG 114 18.507 8.212 -7.131 720 HE ARG 114 HE ARG 114 18.577 5.752 -5.741 721 HH11 ARG 114 2HH2 ARG 114 20.743 7.652 -7.763 722 HH12 ARG 114 1HH2 ARG 114 22.181 7.059 -7.002 723 HH21 ARG 114 2HH1 ARG 114 20.474 4.970 -4.737 724 HH22 ARG 114 1HH1 ARG 114 22.027 5.523 -5.268 725 H ASP 115 H ASP 115 12.972 8.066 -4.379 726 HA ASP 115 HA ASP 115 14.883 8.591 -2.308 727 HB3 ASP 115 2HB ASP 115 12.643 10.599 -2.688 728 H GLY 116 H GLY 116 13.889 8.259 -0.174 729 HA2 GLY 116 1HA GLY 116 11.070 7.375 -0.245 730 HA3 GLY 116 2HA GLY 116 12.321 6.407 0.508 731 H LYS 117 H LYS 117 12.228 6.567 2.704 732 HA LYS 117 HA LYS 117 12.256 7.472 4.722 733 HB3 LYS 117 2HB LYS 117 12.326 10.287 3.692 734 HG3 LYS 117 2HG LYS 117 14.335 10.026 5.485 735 HD3 LYS 117 2HD LYS 117 11.931 10.113 7.073 736 HE3 LYS 117 2HE LYS 117 13.887 12.146 5.943 737 HZ1 LYS 117 3HZ LYS 117 12.401 13.702 6.341 738 HZ2 LYS 117 1HZ LYS 117 11.294 12.638 6.898 739 HZ3 LYS 117 2HZ LYS 117 12.389 13.288 7.921 740 H ILE 118 H ILE 118 10.781 8.517 6.279 741 HA ILE 118 HA ILE 118 8.113 8.680 5.107 742 HB ILE 118 HB ILE 118 8.667 8.595 8.043 743 HG13 ILE 118 2HG1 ILE 118 10.155 6.888 7.183 744 HG21 ILE 118 1HG2 ILE 118 6.499 8.077 8.219 745 HG22 ILE 118 2HG2 ILE 118 6.368 8.654 6.540 746 HG23 ILE 118 3HG2 ILE 118 6.567 6.916 6.871 747 HD11 ILE 118 3HD1 ILE 118 7.610 5.457 8.033 748 HD12 ILE 118 1HD1 ILE 118 9.297 5.004 8.375 749 HD13 ILE 118 2HD1 ILE 118 8.574 6.419 9.179 750 H TYR 119 H TYR 119 7.407 10.121 7.799 751 HA TYR 119 HA TYR 119 8.418 12.772 7.045 752 HB3 TYR 119 2HB TYR 119 5.760 13.029 8.025 753 HD1 TYR 119 1HD TYR 119 6.243 11.657 4.615 754 HD2 TYR 119 2HD TYR 119 5.927 15.193 7.002 755 HE1 TYR 119 1HE TYR 119 6.019 13.067 2.511 756 HE2 TYR 119 2HE TYR 119 5.704 16.591 4.890 757 HH TYR 119 HH TYR 119 5.223 15.124 1.802 758 H LYS 120 H LYS 120 8.865 10.598 9.258 759 HA LYS 120 HA LYS 120 8.860 12.534 11.405 760 HB3 LYS 120 2HB LYS 120 7.859 10.139 12.574 761 HG3 LYS 120 2HG LYS 120 6.484 12.819 12.070 762 HD3 LYS 120 2HD LYS 120 5.735 12.026 14.563 763 HE3 LYS 120 2HE LYS 120 4.470 12.366 12.116 764 HZ1 LYS 120 3HZ LYS 120 3.926 10.390 11.356 765 HZ2 LYS 120 1HZ LYS 120 4.652 9.620 12.599 766 HZ3 LYS 120 2HZ LYS 120 3.088 10.073 12.721 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 8.514 -30.318 4.019 2 HA2 GLY 1 1HA GLY 1 8.211 -29.187 6.416 3 HA3 GLY 1 2HA GLY 1 8.972 -27.879 5.532 4 H SER 2 H SER 2 6.133 -30.068 5.648 5 HA SER 2 HA SER 2 4.494 -27.987 4.686 6 HB3 SER 2 2HB SER 2 5.530 -28.954 2.548 7 HG SER 2 HG SER 2 3.767 -31.152 3.232 8 H SER 3 H SER 3 2.115 -28.883 4.449 9 HA SER 3 HA SER 3 1.547 -31.393 5.509 10 HB3 SER 3 2HB SER 3 2.385 -30.256 7.608 11 HG SER 3 HG SER 3 1.027 -28.189 6.810 12 H GLY 4 H GLY 4 -0.895 -31.630 5.873 13 HA2 GLY 4 1HA GLY 4 -2.842 -29.809 5.543 14 HA3 GLY 4 2HA GLY 4 -2.280 -30.026 3.898 15 H SER 5 H SER 5 -4.395 -30.952 3.363 16 HA SER 5 HA SER 5 -4.378 -33.777 3.868 17 HB3 SER 5 2HB SER 5 -5.785 -32.662 5.704 18 HG SER 5 HG SER 5 -8.039 -32.242 4.875 19 H SER 6 H SER 6 -5.950 -34.927 2.373 20 HA SER 6 HA SER 6 -6.694 -33.214 0.141 21 HB3 SER 6 2HB SER 6 -5.560 -36.012 -0.227 22 HG SER 6 HG SER 6 -6.060 -35.574 -2.253 23 H GLY 7 H GLY 7 -8.243 -34.559 -1.418 24 HA2 GLY 7 1HA GLY 7 -9.828 -36.328 -1.565 25 HA3 GLY 7 2HA GLY 7 -9.932 -36.372 0.183 26 H ALA 8 H ALA 8 -10.721 -34.255 1.276 27 HA ALA 8 HA ALA 8 -12.433 -32.884 1.591 28 HB1 ALA 8 3HB ALA 8 -10.957 -31.996 -0.697 29 HB2 ALA 8 1HB ALA 8 -12.680 -31.656 -0.990 30 HB3 ALA 8 2HB ALA 8 -11.883 -31.020 0.469 31 H SER 9 H SER 9 -13.957 -34.651 1.837 32 HA SER 9 HA SER 9 -15.223 -36.007 -0.069 33 HB3 SER 9 2HB SER 9 -17.271 -35.911 1.522 34 HG SER 9 HG SER 9 -15.593 -37.532 1.745 35 H ILE 10 H ILE 10 -16.978 -35.714 -1.518 36 HA ILE 10 HA ILE 10 -17.398 -33.031 -2.360 37 HB ILE 10 HB ILE 10 -17.232 -34.984 -3.862 38 HG13 ILE 10 2HG1 ILE 10 -18.964 -32.754 -4.020 39 HG21 ILE 10 1HG2 ILE 10 -20.031 -35.793 -3.538 40 HG22 ILE 10 2HG2 ILE 10 -18.566 -36.775 -3.778 41 HG23 ILE 10 3HG2 ILE 10 -18.998 -36.204 -2.149 42 HD11 ILE 10 3HD1 ILE 10 -17.388 -34.537 -5.817 43 HD12 ILE 10 1HD1 ILE 10 -18.709 -33.636 -6.598 44 HD13 ILE 10 2HD1 ILE 10 -17.428 -32.760 -5.727 45 H ASP 11 H ASP 11 -19.005 -31.618 -1.846 46 HA ASP 11 HA ASP 11 -21.429 -32.661 -0.736 47 HB3 ASP 11 2HB ASP 11 -20.912 -30.595 1.058 48 H ILE 12 H ILE 12 -23.092 -30.830 -0.550 49 HA ILE 12 HA ILE 12 -22.737 -29.006 -2.720 50 HB ILE 12 HB ILE 12 -24.973 -29.506 -0.760 51 HG13 ILE 12 2HG1 ILE 12 -24.451 -31.292 -2.425 52 HG21 ILE 12 1HG2 ILE 12 -24.789 -27.103 -1.646 53 HG22 ILE 12 2HG2 ILE 12 -25.214 -27.795 -3.230 54 HG23 ILE 12 3HG2 ILE 12 -26.337 -27.957 -1.857 55 HD11 ILE 12 3HD1 ILE 12 -26.900 -30.885 -3.600 56 HD12 ILE 12 1HD1 ILE 12 -26.682 -31.543 -1.961 57 HD13 ILE 12 2HD1 ILE 12 -27.022 -29.811 -2.187 58 H GLN 13 H GLN 13 -20.904 -27.746 -2.025 59 HA GLN 13 HA GLN 13 -21.313 -26.194 0.367 60 HB3 GLN 13 2HB GLN 13 -19.075 -27.327 -0.544 61 HG3 GLN 13 2HG GLN 13 -18.961 -24.515 -1.731 62 HE21 GLN 13 1HE2 GLN 13 -17.496 -27.700 -2.295 63 HE22 GLN 13 2HE2 GLN 13 -15.843 -27.226 -2.089 64 H ILE 14 H ILE 14 -21.392 -23.864 0.394 65 HA ILE 14 HA ILE 14 -21.846 -22.656 -2.239 66 HB ILE 14 HB ILE 14 -23.465 -21.785 0.110 67 HG13 ILE 14 2HG1 ILE 14 -23.773 -24.189 0.162 68 HG21 ILE 14 1HG2 ILE 14 -23.275 -21.096 -2.612 69 HG22 ILE 14 2HG2 ILE 14 -24.825 -21.952 -2.424 70 HG23 ILE 14 3HG2 ILE 14 -24.467 -20.528 -1.418 71 HD11 ILE 14 3HD1 ILE 14 -25.812 -22.309 -0.171 72 HD12 ILE 14 1HD1 ILE 14 -26.230 -23.581 -1.344 73 HD13 ILE 14 2HD1 ILE 14 -26.028 -23.989 0.377 74 H ILE 15 H ILE 15 -22.497 -20.083 -0.761 75 HA ILE 15 HA ILE 15 -21.230 -18.247 -0.494 76 HB ILE 15 HB ILE 15 -20.327 -19.916 1.856 77 HG13 ILE 15 2HG1 ILE 15 -22.281 -19.244 3.005 78 HG21 ILE 15 1HG2 ILE 15 -20.589 -17.343 2.745 79 HG22 ILE 15 2HG2 ILE 15 -19.058 -18.117 2.273 80 HG23 ILE 15 3HG2 ILE 15 -19.936 -17.099 1.107 81 HD11 ILE 15 3HD1 ILE 15 -22.848 -17.464 0.591 82 HD12 ILE 15 1HD1 ILE 15 -24.001 -17.771 1.911 83 HD13 ILE 15 2HD1 ILE 15 -22.473 -16.921 2.244 84 H ASP 16 H ASP 16 -19.997 -18.728 -2.531 85 HA ASP 16 HA ASP 16 -17.257 -19.466 -1.875 86 HB3 ASP 16 2HB ASP 16 -18.311 -20.915 -3.572 87 H ARG 17 H ARG 17 -15.741 -18.326 -3.785 88 HA ARG 17 HA ARG 17 -14.830 -16.492 -4.470 89 HB3 ARG 17 2HB ARG 17 -16.665 -14.586 -5.141 90 HG3 ARG 17 2HG ARG 17 -16.997 -16.835 -6.977 91 HD3 ARG 17 2HD ARG 17 -15.227 -14.349 -7.155 92 HE ARG 17 HE ARG 17 -14.795 -15.429 -9.190 93 HH11 ARG 17 2HH2 ARG 17 -18.218 -15.722 -8.427 94 HH12 ARG 17 1HH2 ARG 17 -18.632 -16.410 -9.961 95 HH21 ARG 17 2HH1 ARG 17 -15.342 -16.337 -11.214 96 HH22 ARG 17 1HH1 ARG 17 -16.985 -16.762 -11.558 97 HA PRO 18 HA PRO 18 -15.009 -14.288 -0.602 98 HB3 PRO 18 2HB PRO 18 -13.051 -15.196 0.203 99 HG3 PRO 18 2HG PRO 18 -11.787 -16.310 -1.371 100 HD3 PRO 18 2HD PRO 18 -13.420 -16.855 -2.895 101 H GLY 19 H GLY 19 -14.077 -13.318 -3.706 102 HA2 GLY 19 1HA GLY 19 -14.527 -11.300 -4.678 103 HA3 GLY 19 2HA GLY 19 -14.935 -10.619 -3.116 104 HA PRO 20 HA PRO 20 -10.866 -8.950 -4.147 105 HB3 PRO 20 2HB PRO 20 -11.559 -7.050 -5.249 106 HG3 PRO 20 2HG PRO 20 -13.820 -6.622 -5.103 107 HD3 PRO 20 2HD PRO 20 -14.611 -8.742 -4.695 108 HA PRO 21 HA PRO 21 -9.344 -8.496 -0.209 109 HB3 PRO 21 2HB PRO 21 -7.149 -8.340 -0.884 110 HG3 PRO 21 2HG PRO 21 -6.854 -7.520 -3.019 111 HD3 PRO 21 2HD PRO 21 -8.890 -8.053 -3.945 112 H GLN 22 H GLN 22 -9.275 -7.375 1.816 113 HA GLN 22 HA GLN 22 -11.388 -5.700 2.103 114 HB3 GLN 22 2HB GLN 22 -9.821 -4.927 4.206 115 HG3 GLN 22 2HG GLN 22 -10.967 -7.743 3.987 116 HE21 GLN 22 1HE2 GLN 22 -9.244 -8.010 5.616 117 HE22 GLN 22 2HE2 GLN 22 -9.570 -7.580 7.262 118 H ILE 23 H ILE 23 -7.876 -4.727 2.059 119 HA ILE 23 HA ILE 23 -8.650 -2.291 0.687 120 HB ILE 23 HB ILE 23 -8.721 -1.998 3.249 121 HG13 ILE 23 2HG1 ILE 23 -8.453 0.232 2.920 122 HG21 ILE 23 1HG2 ILE 23 -6.776 -3.006 4.035 123 HG22 ILE 23 2HG2 ILE 23 -5.766 -2.293 2.753 124 HG23 ILE 23 3HG2 ILE 23 -6.384 -1.269 4.072 125 HD11 ILE 23 3HD1 ILE 23 -6.537 0.940 1.145 126 HD12 ILE 23 1HD1 ILE 23 -6.193 0.714 2.877 127 HD13 ILE 23 2HD1 ILE 23 -5.831 -0.588 1.719 128 H VAL 24 H VAL 24 -6.684 -1.123 -0.158 129 HA VAL 24 HA VAL 24 -4.358 -2.884 -0.327 130 HB VAL 24 HB VAL 24 -5.880 -1.697 -2.654 131 HG11 VAL 24 1HG1 VAL 24 -3.406 -3.384 -2.959 132 HG12 VAL 24 2HG1 VAL 24 -4.149 -2.239 -4.103 133 HG13 VAL 24 3HG1 VAL 24 -3.263 -1.630 -2.683 134 HG21 VAL 24 3HG2 VAL 24 -5.304 -4.467 -2.978 135 HG22 VAL 24 1HG2 VAL 24 -5.990 -4.247 -1.351 136 HG23 VAL 24 2HG2 VAL 24 -6.889 -3.680 -2.779 137 H LYS 25 H LYS 25 -2.671 -1.718 0.422 138 HA LYS 25 HA LYS 25 -2.624 1.129 -0.297 139 HB3 LYS 25 2HB LYS 25 -1.274 1.202 1.999 140 HG3 LYS 25 2HG LYS 25 -4.236 1.032 2.398 141 HD3 LYS 25 2HD LYS 25 -3.340 3.652 2.778 142 HE3 LYS 25 2HE LYS 25 -2.887 2.303 5.228 143 HZ1 LYS 25 3HZ LYS 25 -4.748 4.013 4.069 144 HZ2 LYS 25 1HZ LYS 25 -5.568 2.880 4.912 145 HZ3 LYS 25 2HZ LYS 25 -4.432 3.788 5.656 146 H ILE 26 H ILE 26 -0.196 1.954 0.150 147 HA ILE 26 HA ILE 26 1.553 -0.081 -1.049 148 HB ILE 26 HB ILE 26 1.395 2.882 -1.606 149 HG13 ILE 26 2HG1 ILE 26 0.064 0.656 -2.762 150 HG21 ILE 26 1HG2 ILE 26 3.737 1.684 -1.471 151 HG22 ILE 26 2HG2 ILE 26 3.261 1.054 -3.066 152 HG23 ILE 26 3HG2 ILE 26 3.353 2.811 -2.794 153 HD11 ILE 26 3HD1 ILE 26 -0.859 2.924 -2.624 154 HD12 ILE 26 1HD1 ILE 26 0.447 3.550 -3.659 155 HD13 ILE 26 2HD1 ILE 26 -0.766 2.434 -4.332 156 H GLU 27 H GLU 27 2.721 -0.817 0.678 157 HA GLU 27 HA GLU 27 3.240 0.345 2.984 158 HB3 GLU 27 2HB GLU 27 5.717 -0.882 2.059 159 HG3 GLU 27 2HG GLU 27 4.447 -2.775 3.562 160 H ASP 28 H ASP 28 5.073 0.935 -0.074 161 HA ASP 28 HA ASP 28 5.565 3.556 0.491 162 HB3 ASP 28 2HB ASP 28 8.282 2.612 0.693 163 H VAL 29 H VAL 29 7.738 4.246 -0.942 164 HA VAL 29 HA VAL 29 8.134 2.386 -3.130 165 HB VAL 29 HB VAL 29 6.196 3.467 -3.922 166 HG11 VAL 29 1HG1 VAL 29 7.433 6.167 -3.307 167 HG12 VAL 29 2HG1 VAL 29 5.788 5.834 -3.899 168 HG13 VAL 29 3HG1 VAL 29 6.258 5.344 -2.254 169 HG21 VAL 29 3HG2 VAL 29 6.936 4.417 -5.944 170 HG22 VAL 29 1HG2 VAL 29 8.394 5.107 -5.192 171 HG23 VAL 29 2HG2 VAL 29 8.268 3.349 -5.441 172 H TRP 30 H TRP 30 10.273 2.364 -3.582 173 HA TRP 30 HA TRP 30 11.752 4.859 -3.139 174 HB3 TRP 30 2HB TRP 30 12.190 3.525 -1.207 175 HD1 TRP 30 HD TRP 30 14.509 1.202 -3.111 176 HE1 TRP 30 1HE TRP 30 13.883 -1.337 -2.755 177 HE3 TRP 30 3HE TRP 30 10.047 2.076 -0.834 178 HZ2 TRP 30 2HZ TRP 30 11.643 -2.666 -1.588 179 HZ3 TRP 30 3HZ TRP 30 8.702 0.103 -0.119 180 HH2 TRP 30 HH TRP 30 9.434 -2.204 -0.463 181 H GLY 31 H GLY 31 13.551 5.131 -4.612 182 HA2 GLY 31 1HA GLY 31 14.290 5.103 -6.760 183 HA3 GLY 31 2HA GLY 31 14.710 3.455 -6.335 184 H GLU 32 H GLU 32 14.004 1.941 -7.766 185 HA GLU 32 HA GLU 32 11.578 2.606 -9.238 186 HB3 GLU 32 2HB GLU 32 12.454 0.966 -10.951 187 HG3 GLU 32 2HG GLU 32 14.520 3.108 -10.300 188 H ASN 33 H ASN 33 11.796 1.379 -6.493 189 HA ASN 33 HA ASN 33 10.475 -1.130 -7.169 190 HB3 ASN 33 2HB ASN 33 11.373 -2.111 -5.091 191 HD21 ASN 33 1HD2 ASN 33 13.903 0.209 -5.619 192 HD22 ASN 33 2HD2 ASN 33 14.939 -0.761 -6.611 193 H VAL 34 H VAL 34 8.345 -1.169 -6.411 194 HA VAL 34 HA VAL 34 7.633 0.856 -4.410 195 HB VAL 34 HB VAL 34 6.285 -0.315 -6.794 196 HG11 VAL 34 1HG1 VAL 34 4.781 0.686 -4.352 197 HG12 VAL 34 2HG1 VAL 34 4.063 0.387 -5.953 198 HG13 VAL 34 3HG1 VAL 34 4.751 -0.964 -5.019 199 HG21 VAL 34 3HG2 VAL 34 6.010 2.454 -5.609 200 HG22 VAL 34 1HG2 VAL 34 7.391 1.991 -6.632 201 HG23 VAL 34 2HG2 VAL 34 5.738 1.927 -7.287 202 H ALA 35 H ALA 35 5.937 0.207 -2.814 203 HA ALA 35 HA ALA 35 6.092 -2.674 -2.252 204 HB1 ALA 35 3HB ALA 35 6.642 -0.277 -0.526 205 HB2 ALA 35 1HB ALA 35 5.886 -1.705 0.221 206 HB3 ALA 35 2HB ALA 35 7.468 -1.853 -0.583 207 H LEU 36 H LEU 36 4.118 -3.618 -2.273 208 HA LEU 36 HA LEU 36 1.811 -1.843 -1.931 209 HB3 LEU 36 2HB LEU 36 0.653 -3.921 -2.985 210 HG LEU 36 HG LEU 36 2.377 -1.955 -4.472 211 HD11 LEU 36 1HD1 LEU 36 2.357 -4.209 -5.656 212 HD12 LEU 36 2HD1 LEU 36 0.611 -3.953 -5.890 213 HD13 LEU 36 3HD1 LEU 36 1.780 -2.804 -6.585 214 HD21 LEU 36 3HD2 LEU 36 0.542 -0.739 -4.119 215 HD22 LEU 36 1HD2 LEU 36 -0.236 -1.763 -5.349 216 HD23 LEU 36 2HD2 LEU 36 -0.410 -2.159 -3.623 217 H THR 37 H THR 37 0.016 -2.563 -0.602 218 HA THR 37 HA THR 37 0.498 -4.848 1.115 219 HB THR 37 HB THR 37 0.030 -3.112 3.103 220 HG1 THR 37 1HG THR 37 1.077 -1.063 2.439 221 HG21 THR 37 3HG2 THR 37 2.214 -4.457 2.649 222 HG22 THR 37 1HG2 THR 37 2.781 -3.007 1.784 223 HG23 THR 37 2HG2 THR 37 2.396 -2.914 3.519 224 H TRP 38 H TRP 38 -1.339 -5.945 0.794 225 HA TRP 38 HA TRP 38 -3.823 -4.371 0.900 226 HB3 TRP 38 2HB TRP 38 -3.506 -5.270 -1.303 227 HD1 TRP 38 HD TRP 38 -4.426 -8.724 0.136 228 HE1 TRP 38 1HE TRP 38 -2.769 -10.591 -0.720 229 HE3 TRP 38 3HE TRP 38 -1.161 -5.536 -2.108 230 HZ2 TRP 38 2HZ TRP 38 -0.332 -10.526 -2.206 231 HZ3 TRP 38 3HZ TRP 38 0.831 -6.519 -3.238 232 HH2 TRP 38 HH TRP 38 1.271 -8.923 -3.310 233 H THR 39 H THR 39 -5.616 -5.414 2.058 234 HA THR 39 HA THR 39 -4.606 -7.148 4.190 235 HB THR 39 HB THR 39 -6.842 -6.400 5.238 236 HG1 THR 39 1HG THR 39 -7.861 -4.679 4.007 237 HG21 THR 39 3HG2 THR 39 -6.137 -4.037 5.618 238 HG22 THR 39 1HG2 THR 39 -4.743 -5.135 5.767 239 HG23 THR 39 2HG2 THR 39 -4.965 -4.173 4.285 240 HA PRO 40 HA PRO 40 -6.813 -10.569 2.840 241 HB3 PRO 40 2HB PRO 40 -5.876 -11.921 4.452 242 HG3 PRO 40 2HG PRO 40 -5.133 -10.808 6.331 243 HD3 PRO 40 2HD PRO 40 -4.790 -8.711 5.454 244 HA PRO 41 HA PRO 41 -11.015 -10.003 2.772 245 HB3 PRO 41 2HB PRO 41 -11.318 -11.434 0.993 246 HG3 PRO 41 2HG PRO 41 -9.678 -13.037 0.755 247 HD3 PRO 41 2HD PRO 41 -7.931 -11.995 1.829 248 H LYS 42 H LYS 42 -12.976 -9.985 3.910 249 HA LYS 42 HA LYS 42 -12.567 -11.006 6.590 250 HB3 LYS 42 2HB LYS 42 -15.022 -9.736 6.541 251 HG3 LYS 42 2HG LYS 42 -12.563 -8.045 6.838 252 HD3 LYS 42 2HD LYS 42 -13.777 -7.935 9.216 253 HE3 LYS 42 2HE LYS 42 -15.274 -6.692 6.885 254 HZ1 LYS 42 3HZ LYS 42 -14.619 -4.855 8.713 255 HZ2 LYS 42 1HZ LYS 42 -16.044 -5.652 8.669 256 HZ3 LYS 42 2HZ LYS 42 -14.848 -6.170 9.654 257 H ASP 43 H ASP 43 -13.745 -12.183 3.665 258 HA ASP 43 HA ASP 43 -15.733 -13.800 5.045 259 HB3 ASP 43 2HB ASP 43 -15.378 -13.698 2.036 260 H ASP 44 H ASP 44 -14.392 -15.501 5.861 261 HA ASP 44 HA ASP 44 -13.185 -17.123 3.790 262 HB3 ASP 44 2HB ASP 44 -11.297 -15.876 4.689 263 H GLY 45 H GLY 45 -15.038 -18.558 4.179 264 HA2 GLY 45 1HA GLY 45 -14.728 -20.197 6.580 265 HA3 GLY 45 2HA GLY 45 -16.274 -19.407 6.343 266 H ASN 46 H ASN 46 -16.597 -19.512 3.543 267 HA ASN 46 HA ASN 46 -16.864 -22.387 3.228 268 HB3 ASN 46 2HB ASN 46 -18.401 -21.414 1.219 269 HD21 ASN 46 1HD2 ASN 46 -20.175 -22.514 1.495 270 HD22 ASN 46 2HD2 ASN 46 -20.981 -22.861 2.989 271 H ALA 47 H ALA 47 -14.279 -21.537 2.772 272 HA ALA 47 HA ALA 47 -13.759 -22.282 0.166 273 HB1 ALA 47 3HB ALA 47 -14.667 -20.262 -0.686 274 HB2 ALA 47 1HB ALA 47 -13.934 -19.288 0.611 275 HB3 ALA 47 2HB ALA 47 -12.908 -19.994 -0.660 276 H ALA 48 H ALA 48 -11.333 -21.687 -0.396 277 HA ALA 48 HA ALA 48 -9.828 -21.343 2.092 278 HB1 ALA 48 3HB ALA 48 -10.009 -23.746 1.777 279 HB2 ALA 48 1HB ALA 48 -9.528 -23.599 0.069 280 HB3 ALA 48 2HB ALA 48 -8.355 -23.239 1.359 281 H ILE 49 H ILE 49 -8.892 -19.382 1.651 282 HA ILE 49 HA ILE 49 -8.349 -18.334 -0.801 283 HB ILE 49 HB ILE 49 -6.885 -17.961 1.812 284 HG13 ILE 49 2HG1 ILE 49 -9.443 -16.971 0.700 285 HG21 ILE 49 1HG2 ILE 49 -5.724 -17.224 -0.407 286 HG22 ILE 49 2HG2 ILE 49 -6.930 -15.915 -0.383 287 HG23 ILE 49 3HG2 ILE 49 -5.798 -16.106 0.977 288 HD11 ILE 49 3HD1 ILE 49 -8.999 -16.456 3.497 289 HD12 ILE 49 1HD1 ILE 49 -10.072 -17.667 2.757 290 HD13 ILE 49 2HD1 ILE 49 -8.383 -18.084 3.130 291 H THR 50 H THR 50 -7.202 -19.119 -2.478 292 HA THR 50 HA THR 50 -5.106 -21.051 -1.960 293 HB THR 50 HB THR 50 -6.358 -19.896 -4.507 294 HG1 THR 50 1HG THR 50 -6.482 -22.505 -3.179 295 HG21 THR 50 3HG2 THR 50 -4.425 -22.221 -4.030 296 HG22 THR 50 1HG2 THR 50 -5.398 -22.044 -5.509 297 HG23 THR 50 2HG2 THR 50 -4.169 -20.823 -5.100 298 H GLY 51 H GLY 51 -5.458 -17.658 -3.039 299 HA2 GLY 51 1HA GLY 51 -2.919 -16.911 -2.179 300 HA3 GLY 51 2HA GLY 51 -2.778 -17.325 -3.877 301 H TYR 52 H TYR 52 -2.517 -15.275 -4.780 302 HA TYR 52 HA TYR 52 -4.897 -13.697 -4.984 303 HB3 TYR 52 2HB TYR 52 -3.786 -11.673 -3.992 304 HD1 TYR 52 2HD TYR 52 -5.802 -12.155 -2.588 305 HD2 TYR 52 1HD TYR 52 -2.016 -13.993 -1.819 306 HE1 TYR 52 2HE TYR 52 -6.576 -12.787 -0.251 307 HE2 TYR 52 1HE TYR 52 -2.803 -14.619 0.516 308 HH TYR 52 HH TYR 52 -4.346 -14.236 2.056 309 H THR 53 H THR 53 -4.516 -11.770 -6.470 310 HA THR 53 HA THR 53 -2.252 -12.336 -8.269 311 HB THR 53 HB THR 53 -5.162 -11.623 -8.909 312 HG1 THR 53 1HG THR 53 -4.516 -13.881 -8.340 313 HG21 THR 53 3HG2 THR 53 -2.954 -12.336 -10.888 314 HG22 THR 53 1HG2 THR 53 -4.565 -11.660 -11.232 315 HG23 THR 53 2HG2 THR 53 -3.312 -10.640 -10.483 316 H ILE 54 H ILE 54 -1.308 -10.544 -9.365 317 HA ILE 54 HA ILE 54 -2.070 -7.954 -8.221 318 HB ILE 54 HB ILE 54 0.697 -9.139 -8.416 319 HG13 ILE 54 2HG1 ILE 54 -1.237 -9.032 -6.325 320 HG21 ILE 54 1HG2 ILE 54 0.586 -6.509 -7.212 321 HG22 ILE 54 2HG2 ILE 54 1.620 -7.123 -8.525 322 HG23 ILE 54 3HG2 ILE 54 0.006 -6.470 -8.894 323 HD11 ILE 54 3HD1 ILE 54 0.181 -10.909 -6.394 324 HD12 ILE 54 1HD1 ILE 54 1.635 -9.922 -6.675 325 HD13 ILE 54 2HD1 ILE 54 0.882 -9.960 -5.062 326 H GLN 55 H GLN 55 -2.073 -6.241 -9.664 327 HA GLN 55 HA GLN 55 -0.871 -6.694 -12.242 328 HB3 GLN 55 2HB GLN 55 -2.994 -6.004 -13.423 329 HG3 GLN 55 2HG GLN 55 -3.379 -8.496 -11.707 330 HE21 GLN 55 1HE2 GLN 55 -3.536 -10.104 -14.011 331 HE22 GLN 55 2HE2 GLN 55 -5.011 -9.760 -14.852 332 H LYS 56 H LYS 56 0.161 -4.842 -12.881 333 HA LYS 56 HA LYS 56 -0.708 -2.361 -11.572 334 HB3 LYS 56 2HB LYS 56 1.575 -3.295 -10.987 335 HG3 LYS 56 2HG LYS 56 2.377 -2.203 -13.709 336 HD3 LYS 56 2HD LYS 56 3.766 -4.146 -11.807 337 HE3 LYS 56 2HE LYS 56 4.267 -3.741 -14.469 338 HZ1 LYS 56 3HZ LYS 56 6.456 -2.262 -13.765 339 HZ2 LYS 56 1HZ LYS 56 5.226 -1.793 -14.734 340 HZ3 LYS 56 2HZ LYS 56 5.185 -1.450 -13.138 341 H ALA 57 H ALA 57 -0.370 -0.349 -12.902 342 HA ALA 57 HA ALA 57 -0.304 -0.794 -15.761 343 HB1 ALA 57 3HB ALA 57 -2.484 0.527 -15.984 344 HB2 ALA 57 1HB ALA 57 -2.640 -1.152 -15.413 345 HB3 ALA 57 2HB ALA 57 -2.749 0.195 -14.256 346 H ASP 58 H ASP 58 -0.206 1.334 -16.942 347 HA ASP 58 HA ASP 58 1.219 3.198 -15.246 348 HB3 ASP 58 2HB ASP 58 2.616 3.195 -17.033 349 H LYS 59 H LYS 59 0.844 5.626 -15.816 350 HA LYS 59 HA LYS 59 -2.023 6.043 -16.074 351 HB3 LYS 59 2HB LYS 59 -0.900 8.490 -15.504 352 HG3 LYS 59 2HG LYS 59 -1.265 7.135 -13.023 353 HD3 LYS 59 2HD LYS 59 -2.198 9.399 -14.078 354 HE3 LYS 59 2HE LYS 59 -4.287 7.303 -14.767 355 HZ1 LYS 59 3HZ LYS 59 -5.335 9.795 -15.108 356 HZ2 LYS 59 1HZ LYS 59 -5.814 8.680 -14.016 357 HZ3 LYS 59 2HZ LYS 59 -4.723 9.820 -13.594 358 H LYS 60 H LYS 60 -0.297 5.247 -18.387 359 HA LYS 60 HA LYS 60 -0.507 7.713 -19.963 360 HB3 LYS 60 2HB LYS 60 1.086 6.649 -21.504 361 HG3 LYS 60 2HG LYS 60 1.623 7.664 -18.927 362 HD3 LYS 60 2HD LYS 60 2.660 4.903 -19.237 363 HE3 LYS 60 2HE LYS 60 4.562 6.993 -19.516 364 HZ1 LYS 60 3HZ LYS 60 5.487 7.281 -17.530 365 HZ2 LYS 60 1HZ LYS 60 4.034 6.856 -16.917 366 HZ3 LYS 60 2HZ LYS 60 5.229 5.748 -17.029 367 H SER 61 H SER 61 -1.326 4.211 -19.802 368 HA SER 61 HA SER 61 -3.547 4.813 -21.548 369 HB3 SER 61 2HB SER 61 -2.912 2.395 -22.589 370 HG SER 61 HG SER 61 -3.185 4.376 -23.820 371 H MET 62 H MET 62 -2.872 4.109 -18.609 372 HA MET 62 HA MET 62 -3.433 2.654 -17.042 373 HB3 MET 62 2HB MET 62 -6.005 2.240 -17.106 374 HG3 MET 62 2HG MET 62 -5.783 5.108 -17.774 375 HE1 MET 62 3HE MET 62 -6.060 3.707 -13.521 376 HE2 MET 62 1HE MET 62 -6.190 2.299 -14.602 377 HE3 MET 62 2HE MET 62 -4.782 3.383 -14.718 378 H GLU 63 H GLU 63 -2.140 1.237 -19.162 379 HA GLU 63 HA GLU 63 -3.742 -1.019 -19.808 380 HB3 GLU 63 2HB GLU 63 -1.831 -1.791 -21.044 381 HG3 GLU 63 2HG GLU 63 -1.389 1.202 -21.153 382 H TRP 64 H TRP 64 -4.051 -2.819 -18.565 383 HA TRP 64 HA TRP 64 -2.411 -3.074 -16.172 384 HB3 TRP 64 2HB TRP 64 -4.122 -4.712 -15.487 385 HD1 TRP 64 HD TRP 64 -6.539 -2.320 -17.178 386 HE1 TRP 64 1HE TRP 64 -7.369 -0.425 -15.540 387 HE3 TRP 64 3HE TRP 64 -3.202 -3.329 -13.477 388 HZ2 TRP 64 2HZ TRP 64 -6.556 0.419 -12.938 389 HZ3 TRP 64 3HZ TRP 64 -3.288 -1.923 -11.420 390 HH2 TRP 64 HH TRP 64 -4.891 -0.103 -11.118 391 H PHE 65 H PHE 65 -0.757 -4.542 -16.077 392 HA PHE 65 HA PHE 65 -0.804 -6.695 -18.072 393 HB3 PHE 65 2HB PHE 65 1.881 -6.146 -17.336 394 HD1 PHE 65 2HD PHE 65 -0.298 -4.063 -19.541 395 HD2 PHE 65 1HD PHE 65 2.758 -6.997 -19.296 396 HE1 PHE 65 2HE PHE 65 -0.042 -4.004 -22.038 397 HE2 PHE 65 1HE PHE 65 3.013 -6.939 -21.792 398 HZ PHE 65 HZ PHE 65 1.611 -5.443 -23.133 399 H THR 66 H THR 66 -1.003 -8.641 -17.078 400 HA THR 66 HA THR 66 -0.985 -9.140 -14.428 401 HB THR 66 HB THR 66 -0.251 -10.802 -16.871 402 HG1 THR 66 1HG THR 66 -2.472 -10.087 -16.415 403 HG21 THR 66 3HG2 THR 66 -0.986 -12.635 -14.945 404 HG22 THR 66 1HG2 THR 66 0.703 -12.327 -15.414 405 HG23 THR 66 2HG2 THR 66 0.017 -11.524 -13.981 406 H VAL 67 H VAL 67 0.396 -8.871 -12.803 407 HA VAL 67 HA VAL 67 3.220 -8.655 -13.465 408 HB VAL 67 HB VAL 67 1.502 -7.932 -11.102 409 HG11 VAL 67 1HG1 VAL 67 3.209 -8.349 -9.715 410 HG12 VAL 67 2HG1 VAL 67 4.322 -8.683 -11.063 411 HG13 VAL 67 3HG1 VAL 67 4.066 -7.009 -10.515 412 HG21 VAL 67 3HG2 VAL 67 3.472 -6.096 -12.403 413 HG22 VAL 67 1HG2 VAL 67 1.986 -6.504 -13.295 414 HG23 VAL 67 2HG2 VAL 67 1.881 -5.748 -11.687 415 H ILE 68 H ILE 68 0.999 -10.470 -11.244 416 HA ILE 68 HA ILE 68 2.763 -12.747 -11.468 417 HB ILE 68 HB ILE 68 3.338 -11.070 -9.457 418 HG13 ILE 68 2HG1 ILE 68 4.149 -13.537 -10.274 419 HG21 ILE 68 1HG2 ILE 68 1.006 -11.362 -8.537 420 HG22 ILE 68 2HG2 ILE 68 1.453 -13.041 -8.151 421 HG23 ILE 68 3HG2 ILE 68 2.334 -11.689 -7.399 422 HD11 ILE 68 3HD1 ILE 68 5.469 -11.640 -9.190 423 HD12 ILE 68 1HD1 ILE 68 4.954 -12.287 -7.613 424 HD13 ILE 68 2HD1 ILE 68 5.961 -13.278 -8.696 425 H GLU 69 H GLU 69 1.723 -14.704 -10.362 426 HA GLU 69 HA GLU 69 -1.098 -14.382 -9.933 427 HB3 GLU 69 2HB GLU 69 -1.587 -16.274 -11.597 428 HG3 GLU 69 2HG GLU 69 -0.469 -13.944 -13.140 429 H HIS 70 H HIS 70 -2.015 -16.133 -8.711 430 HA HIS 70 HA HIS 70 -1.974 -17.721 -7.199 431 HB3 HIS 70 2HB HIS 70 -0.800 -19.806 -7.715 432 HD1 HIS 70 1HD HIS 70 -1.833 -21.429 -9.465 433 HD2 HIS 70 2HD HIS 70 -2.604 -17.375 -10.218 434 HE1 HIS 70 1HE HIS 70 -3.645 -21.367 -11.260 435 H TYR 71 H TYR 71 -0.835 -15.619 -6.146 436 HA TYR 71 HA TYR 71 1.885 -16.200 -5.339 437 HB3 TYR 71 2HB TYR 71 0.035 -14.043 -4.228 438 HD1 TYR 71 1HD TYR 71 3.329 -14.865 -5.802 439 HD2 TYR 71 2HD TYR 71 1.155 -12.258 -3.198 440 HE1 TYR 71 1HE TYR 71 5.497 -13.724 -5.122 441 HE2 TYR 71 2HE TYR 71 3.329 -11.126 -2.526 442 HH TYR 71 HH TYR 71 5.671 -11.631 -2.450 443 H HIS 72 H HIS 72 1.854 -15.120 -2.722 444 HA HIS 72 HA HIS 72 0.002 -16.816 -1.263 445 HB3 HIS 72 2HB HIS 72 2.776 -16.909 -0.249 446 HD1 HIS 72 1HD HIS 72 1.562 -17.876 1.864 447 HD2 HIS 72 2HD HIS 72 0.946 -20.070 -1.658 448 HE1 HIS 72 1HE HIS 72 0.549 -20.107 2.579 449 H ARG 73 H ARG 73 2.947 -14.764 -0.662 450 HA ARG 73 HA ARG 73 2.097 -13.739 1.689 451 HB3 ARG 73 2HB ARG 73 3.493 -11.653 0.240 452 HG3 ARG 73 2HG ARG 73 5.452 -12.793 1.657 453 HD3 ARG 73 2HD ARG 73 3.298 -11.831 3.482 454 HE ARG 73 HE ARG 73 5.801 -10.350 3.036 455 HH11 ARG 73 2HH2 ARG 73 4.248 -12.999 4.753 456 HH12 ARG 73 1HH2 ARG 73 5.426 -13.037 6.022 457 HH21 ARG 73 2HH1 ARG 73 7.356 -10.398 4.709 458 HH22 ARG 73 1HH1 ARG 73 7.206 -11.546 5.997 459 H THR 74 H THR 74 1.644 -11.194 2.006 460 HA THR 74 HA THR 74 -0.618 -10.562 0.234 461 HB THR 74 HB THR 74 -1.334 -9.190 2.276 462 HG1 THR 74 1HG THR 74 -0.027 -9.648 4.177 463 HG21 THR 74 3HG2 THR 74 -2.108 -11.063 3.576 464 HG22 THR 74 1HG2 THR 74 -2.026 -11.677 1.906 465 HG23 THR 74 2HG2 THR 74 -0.737 -12.077 3.066 466 H SER 75 H SER 75 2.618 -9.839 0.676 467 HA SER 75 HA SER 75 2.130 -7.192 -0.436 468 HB3 SER 75 2HB SER 75 3.089 -6.328 1.430 469 HG SER 75 HG SER 75 4.419 -8.810 2.061 470 H ALA 76 H ALA 76 3.487 -6.621 -2.199 471 HA ALA 76 HA ALA 76 5.630 -8.479 -2.870 472 HB1 ALA 76 3HB ALA 76 4.787 -8.801 -5.126 473 HB2 ALA 76 1HB ALA 76 3.523 -9.285 -3.972 474 HB3 ALA 76 2HB ALA 76 3.410 -7.719 -4.809 475 H THR 77 H THR 77 7.361 -7.469 -3.896 476 HA THR 77 HA THR 77 7.158 -4.560 -4.017 477 HB THR 77 HB THR 77 9.508 -6.525 -4.105 478 HG1 THR 77 1HG THR 77 8.200 -6.216 -2.085 479 HG21 THR 77 3HG2 THR 77 9.978 -3.733 -3.256 480 HG22 THR 77 1HG2 THR 77 10.927 -4.741 -4.375 481 HG23 THR 77 2HG2 THR 77 9.505 -3.849 -4.967 482 H ILE 78 H ILE 78 6.826 -3.476 -5.846 483 HA ILE 78 HA ILE 78 6.876 -4.954 -8.319 484 HB ILE 78 HB ILE 78 6.214 -2.056 -7.799 485 HG13 ILE 78 2HG1 ILE 78 3.993 -2.617 -7.405 486 HG21 ILE 78 1HG2 ILE 78 4.825 -2.452 -9.919 487 HG22 ILE 78 2HG2 ILE 78 6.587 -2.277 -10.098 488 HG23 ILE 78 3HG2 ILE 78 5.842 -3.892 -10.161 489 HD11 ILE 78 3HD1 ILE 78 3.301 -5.141 -7.632 490 HD12 ILE 78 1HD1 ILE 78 3.383 -4.141 -9.102 491 HD13 ILE 78 2HD1 ILE 78 4.714 -5.256 -8.710 492 H THR 79 H THR 79 8.161 -4.397 -10.175 493 HA THR 79 HA THR 79 10.473 -2.692 -9.578 494 HB THR 79 HB THR 79 11.775 -4.584 -10.873 495 HG1 THR 79 1HG THR 79 10.324 -6.182 -11.365 496 HG21 THR 79 3HG2 THR 79 10.654 -4.994 -8.054 497 HG22 THR 79 1HG2 THR 79 11.917 -6.027 -8.765 498 HG23 THR 79 2HG2 THR 79 12.234 -4.298 -8.486 499 H GLU 80 H GLU 80 11.818 -2.525 -11.798 500 HA GLU 80 HA GLU 80 11.853 -1.590 -13.757 501 HB3 GLU 80 2HB GLU 80 9.739 -2.515 -15.288 502 HG3 GLU 80 2HG GLU 80 12.065 -4.344 -14.646 503 H LEU 81 H LEU 81 11.143 0.350 -12.309 504 HA LEU 81 HA LEU 81 8.717 1.464 -13.522 505 HB3 LEU 81 2HB LEU 81 8.222 2.564 -11.375 506 HG LEU 81 HG LEU 81 8.344 -0.457 -11.283 507 HD11 LEU 81 1HD1 LEU 81 6.442 0.666 -9.430 508 HD12 LEU 81 2HD1 LEU 81 7.756 -0.500 -9.146 509 HD13 LEU 81 3HD1 LEU 81 8.082 1.248 -9.062 510 HD21 LEU 81 3HD2 LEU 81 6.439 1.545 -12.307 511 HD22 LEU 81 1HD2 LEU 81 6.683 -0.158 -12.763 512 HD23 LEU 81 2HD2 LEU 81 5.713 0.249 -11.328 513 H VAL 82 H VAL 82 8.960 3.492 -14.375 514 HA VAL 82 HA VAL 82 11.649 4.567 -14.290 515 HB VAL 82 HB VAL 82 9.165 5.234 -15.876 516 HG11 VAL 82 1HG1 VAL 82 11.378 6.928 -15.317 517 HG12 VAL 82 2HG1 VAL 82 11.542 6.381 -17.004 518 HG13 VAL 82 3HG1 VAL 82 10.048 7.191 -16.470 519 HG21 VAL 82 3HG2 VAL 82 10.408 3.087 -16.370 520 HG22 VAL 82 1HG2 VAL 82 10.273 4.223 -17.734 521 HG23 VAL 82 2HG2 VAL 82 11.804 4.090 -16.834 522 H ILE 83 H ILE 83 12.281 6.310 -13.099 523 HA ILE 83 HA ILE 83 10.463 7.330 -11.172 524 HB ILE 83 HB ILE 83 13.300 8.014 -11.930 525 HG13 ILE 83 2HG1 ILE 83 12.865 5.776 -10.922 526 HG21 ILE 83 1HG2 ILE 83 13.182 9.138 -9.563 527 HG22 ILE 83 2HG2 ILE 83 12.676 10.029 -11.018 528 HG23 ILE 83 3HG2 ILE 83 11.452 9.299 -9.951 529 HD11 ILE 83 3HD1 ILE 83 14.256 7.583 -8.912 530 HD12 ILE 83 1HD1 ILE 83 14.651 5.904 -9.346 531 HD13 ILE 83 2HD1 ILE 83 14.976 7.221 -10.498 532 H GLY 84 H GLY 84 9.102 9.040 -11.305 533 HA2 GLY 84 1HA GLY 84 8.763 11.321 -11.934 534 HA3 GLY 84 2HA GLY 84 9.608 11.017 -13.439 535 H ASN 85 H ASN 85 7.035 9.096 -11.744 536 HA ASN 85 HA ASN 85 5.019 9.925 -13.483 537 HB3 ASN 85 2HB ASN 85 4.887 7.306 -14.335 538 HD21 ASN 85 1HD2 ASN 85 7.254 7.734 -16.283 539 HD22 ASN 85 2HD2 ASN 85 6.661 8.885 -17.433 540 H GLU 86 H GLU 86 2.980 8.500 -13.083 541 HA GLU 86 HA GLU 86 3.239 7.281 -10.447 542 HB3 GLU 86 2HB GLU 86 1.801 9.183 -10.274 543 HG3 GLU 86 2HG GLU 86 -0.375 8.848 -11.960 544 H TYR 87 H TYR 87 2.060 5.296 -10.012 545 HA TYR 87 HA TYR 87 1.028 3.956 -12.407 546 HB3 TYR 87 2HB TYR 87 2.299 1.914 -11.476 547 HD1 TYR 87 2HD TYR 87 4.730 4.598 -10.833 548 HD2 TYR 87 1HD TYR 87 3.046 2.021 -13.804 549 HE1 TYR 87 2HE TYR 87 6.638 5.162 -12.414 550 HE2 TYR 87 1HE TYR 87 4.960 2.593 -15.375 551 HH TYR 87 HH TYR 87 7.344 5.042 -14.495 552 H TYR 88 H TYR 88 -0.481 2.210 -11.955 553 HA TYR 88 HA TYR 88 -1.688 2.513 -9.290 554 HB3 TYR 88 2HB TYR 88 -3.636 1.421 -10.795 555 HD1 TYR 88 1HD TYR 88 -3.858 3.464 -8.941 556 HD2 TYR 88 2HD TYR 88 -3.252 3.897 -13.154 557 HE1 TYR 88 1HE TYR 88 -4.872 5.794 -8.854 558 HE2 TYR 88 2HE TYR 88 -4.269 6.225 -13.053 559 HH TYR 88 HH TYR 88 -4.486 7.987 -10.530 560 H PHE 89 H PHE 89 -2.982 0.468 -8.616 561 HA PHE 89 HA PHE 89 -1.824 -1.988 -9.599 562 HB3 PHE 89 2HB PHE 89 -1.071 -2.597 -7.277 563 HD1 PHE 89 2HD PHE 89 0.833 -2.530 -8.991 564 HD2 PHE 89 1HD PHE 89 -0.274 0.815 -6.629 565 HE1 PHE 89 2HE PHE 89 3.079 -1.491 -9.411 566 HE2 PHE 89 1HE PHE 89 1.972 1.855 -7.048 567 HZ PHE 89 HZ PHE 89 3.622 0.689 -8.434 568 H ARG 90 H ARG 90 -3.006 -3.898 -8.861 569 HA ARG 90 HA ARG 90 -5.341 -3.368 -7.284 570 HB3 ARG 90 2HB ARG 90 -6.536 -4.830 -9.294 571 HG3 ARG 90 2HG ARG 90 -6.322 -1.855 -8.773 572 HD3 ARG 90 2HD ARG 90 -6.607 -2.129 -11.259 573 HE ARG 90 HE ARG 90 -7.857 -4.088 -11.697 574 HH11 ARG 90 2HH2 ARG 90 -9.660 -1.928 -9.584 575 HH12 ARG 90 1HH2 ARG 90 -11.147 -2.803 -9.747 576 HH21 ARG 90 2HH1 ARG 90 -9.818 -5.242 -11.911 577 HH22 ARG 90 1HH1 ARG 90 -11.237 -4.701 -11.079 578 H VAL 91 H VAL 91 -5.569 -5.090 -5.882 579 HA VAL 91 HA VAL 91 -4.319 -7.618 -6.702 580 HB VAL 91 HB VAL 91 -4.817 -6.477 -3.946 581 HG11 VAL 91 1HG1 VAL 91 -2.960 -8.753 -4.290 582 HG12 VAL 91 2HG1 VAL 91 -4.168 -8.434 -3.022 583 HG13 VAL 91 3HG1 VAL 91 -4.675 -9.127 -4.581 584 HG21 VAL 91 3HG2 VAL 91 -2.044 -6.994 -4.698 585 HG22 VAL 91 1HG2 VAL 91 -2.820 -5.797 -5.763 586 HG23 VAL 91 2HG2 VAL 91 -2.788 -5.535 -4.002 587 H PHE 92 H PHE 92 -5.481 -9.563 -6.461 588 HA PHE 92 HA PHE 92 -8.334 -9.151 -5.899 589 HB3 PHE 92 2HB PHE 92 -8.704 -10.869 -7.609 590 HD1 PHE 92 2HD PHE 92 -5.285 -9.636 -8.397 591 HD2 PHE 92 1HD PHE 92 -9.440 -9.328 -9.198 592 HE1 PHE 92 2HE PHE 92 -4.800 -8.108 -10.329 593 HE2 PHE 92 1HE PHE 92 -8.956 -7.801 -11.130 594 HZ PHE 92 HZ PHE 92 -6.640 -7.209 -11.673 595 H SER 93 H SER 93 -8.965 -11.979 -5.960 596 HA SER 93 HA SER 93 -7.375 -12.981 -3.747 597 HB3 SER 93 2HB SER 93 -9.400 -13.638 -2.510 598 HG SER 93 HG SER 93 -9.695 -10.874 -3.320 599 H GLU 94 H GLU 94 -6.721 -15.058 -4.188 600 HA GLU 94 HA GLU 94 -8.146 -16.421 -6.313 601 HB3 GLU 94 2HB GLU 94 -5.865 -17.929 -5.624 602 HG3 GLU 94 2HG GLU 94 -5.146 -16.090 -7.680 603 H ASN 95 H ASN 95 -8.705 -18.726 -6.089 604 HA ASN 95 HA ASN 95 -8.406 -20.061 -3.677 605 HB3 ASN 95 2HB ASN 95 -10.109 -18.333 -2.926 606 HD21 ASN 95 1HD2 ASN 95 -12.804 -19.164 -2.782 607 HD22 ASN 95 2HD2 ASN 95 -13.610 -18.736 -4.254 608 H MET 96 H MET 96 -10.850 -21.640 -3.779 609 HA MET 96 HA MET 96 -10.264 -23.218 -6.025 610 HB3 MET 96 2HB MET 96 -11.132 -24.070 -3.812 611 HG3 MET 96 2HG MET 96 -12.878 -22.056 -3.760 612 HE1 MET 96 3HE MET 96 -16.419 -21.968 -4.755 613 HE2 MET 96 1HE MET 96 -16.238 -23.176 -3.461 614 HE3 MET 96 2HE MET 96 -15.237 -21.704 -3.450 615 H CYS 97 H CYS 97 -12.741 -20.753 -5.263 616 HA CYS 97 HA CYS 97 -14.434 -21.386 -7.418 617 HB3 CYS 97 2HB CYS 97 -14.200 -18.664 -6.118 618 HG CYS 97 HG CYS 97 -16.958 -18.823 -6.236 619 H GLY 98 H GLY 98 -12.473 -18.357 -6.947 620 HA2 GLY 98 1HA GLY 98 -10.828 -18.544 -9.151 621 HA3 GLY 98 2HA GLY 98 -12.326 -17.861 -9.749 622 H LEU 99 H LEU 99 -11.297 -15.813 -10.194 623 HA LEU 99 HA LEU 99 -10.185 -14.398 -7.922 624 HB3 LEU 99 2HB LEU 99 -10.401 -12.812 -10.298 625 HG LEU 99 HG LEU 99 -8.553 -12.308 -8.983 626 HD11 LEU 99 1HD1 LEU 99 -8.125 -13.870 -7.420 627 HD12 LEU 99 2HD1 LEU 99 -8.431 -15.227 -8.530 628 HD13 LEU 99 3HD1 LEU 99 -6.864 -14.383 -8.568 629 HD21 LEU 99 3HD2 LEU 99 -7.564 -12.107 -11.009 630 HD22 LEU 99 1HD2 LEU 99 -6.539 -13.413 -10.368 631 HD23 LEU 99 2HD2 LEU 99 -7.888 -13.796 -11.465 632 H SER 100 H SER 100 -11.019 -11.744 -8.789 633 HA SER 100 HA SER 100 -13.833 -11.948 -8.042 634 HB3 SER 100 2HB SER 100 -12.676 -10.971 -6.191 635 HG SER 100 HG SER 100 -11.393 -9.259 -8.144 636 H GLU 101 H GLU 101 -15.309 -10.401 -9.037 637 HA GLU 101 HA GLU 101 -14.798 -9.947 -11.695 638 HB3 GLU 101 2HB GLU 101 -16.759 -8.051 -10.733 639 HG3 GLU 101 2HG GLU 101 -18.049 -10.403 -11.631 640 H ASP 102 H ASP 102 -14.105 -7.988 -8.817 641 HA ASP 102 HA ASP 102 -12.841 -6.071 -10.598 642 HB3 ASP 102 2HB ASP 102 -14.441 -5.408 -8.081 643 H ALA 103 H ALA 103 -11.294 -4.589 -9.090 644 HA ALA 103 HA ALA 103 -10.212 -6.246 -6.926 645 HB1 ALA 103 3HB ALA 103 -7.975 -5.926 -7.741 646 HB2 ALA 103 1HB ALA 103 -8.944 -6.511 -9.114 647 HB3 ALA 103 2HB ALA 103 -8.526 -4.785 -8.990 648 H THR 104 H THR 104 -9.072 -5.017 -5.272 649 HA THR 104 HA THR 104 -10.173 -2.336 -5.041 650 HB THR 104 HB THR 104 -8.788 -4.322 -3.181 651 HG1 THR 104 1HG THR 104 -11.156 -4.329 -3.870 652 HG21 THR 104 3HG2 THR 104 -8.911 -1.412 -2.924 653 HG22 THR 104 1HG2 THR 104 -9.964 -2.179 -1.710 654 HG23 THR 104 2HG2 THR 104 -8.237 -2.601 -1.782 655 H MET 105 H MET 105 -9.099 -0.861 -6.256 656 HA MET 105 HA MET 105 -6.251 -1.035 -6.426 657 HB3 MET 105 2HB MET 105 -8.212 1.119 -7.398 658 HG3 MET 105 2HG MET 105 -5.713 0.555 -8.909 659 HE1 MET 105 3HE MET 105 -7.604 2.594 -10.909 660 HE2 MET 105 1HE MET 105 -5.897 3.091 -10.968 661 HE3 MET 105 2HE MET 105 -6.318 1.388 -10.663 662 H THR 106 H THR 106 -4.726 0.481 -5.585 663 HA THR 106 HA THR 106 -5.199 1.434 -3.045 664 HB THR 106 HB THR 106 -3.049 2.666 -3.442 665 HG1 THR 106 1HG THR 106 -3.879 3.210 -5.711 666 HG21 THR 106 3HG2 THR 106 -3.469 -0.165 -4.033 667 HG22 THR 106 1HG2 THR 106 -2.178 0.489 -5.069 668 HG23 THR 106 2HG2 THR 106 -2.049 0.616 -3.299 669 H LYS 107 H LYS 107 -6.271 3.087 -2.163 670 HA LYS 107 HA LYS 107 -8.009 4.653 -3.471 671 HB3 LYS 107 2HB LYS 107 -6.983 6.261 -1.374 672 HG3 LYS 107 2HG LYS 107 -8.973 4.769 -0.225 673 HD3 LYS 107 2HD LYS 107 -10.125 6.545 -2.254 674 HE3 LYS 107 2HE LYS 107 -10.474 5.936 0.471 675 HZ1 LYS 107 3HZ LYS 107 -9.822 8.779 0.234 676 HZ2 LYS 107 1HZ LYS 107 -10.133 7.923 1.590 677 HZ3 LYS 107 2HZ LYS 107 -8.731 7.695 0.784 678 H GLU 108 H GLU 108 -4.488 5.016 -3.353 679 HA GLU 108 HA GLU 108 -4.795 7.173 -5.263 680 HB3 GLU 108 2HB GLU 108 -2.711 8.240 -4.075 681 HG3 GLU 108 2HG GLU 108 -5.508 8.297 -2.848 682 H SER 109 H SER 109 -2.515 7.640 -6.326 683 HA SER 109 HA SER 109 -1.491 5.036 -7.007 684 HB3 SER 109 2HB SER 109 -2.165 6.841 -8.712 685 HG SER 109 HG SER 109 -0.434 8.317 -7.336 686 H ALA 110 H ALA 110 1.053 5.059 -7.505 687 HA ALA 110 HA ALA 110 2.323 6.238 -5.131 688 HB1 ALA 110 3HB ALA 110 2.142 3.580 -5.936 689 HB2 ALA 110 1HB ALA 110 3.756 4.071 -6.502 690 HB3 ALA 110 2HB ALA 110 3.326 4.245 -4.784 691 H VAL 111 H VAL 111 3.714 7.885 -5.507 692 HA VAL 111 HA VAL 111 4.489 8.400 -8.247 693 HB VAL 111 HB VAL 111 4.881 9.926 -5.665 694 HG11 VAL 111 1HG1 VAL 111 6.454 10.198 -7.872 695 HG12 VAL 111 2HG1 VAL 111 5.143 11.339 -8.251 696 HG13 VAL 111 3HG1 VAL 111 6.068 11.518 -6.742 697 HG21 VAL 111 3HG2 VAL 111 2.766 10.575 -5.942 698 HG22 VAL 111 1HG2 VAL 111 3.233 11.329 -7.486 699 HG23 VAL 111 2HG2 VAL 111 2.640 9.651 -7.459 700 H ILE 112 H ILE 112 6.246 7.389 -9.065 701 HA ILE 112 HA ILE 112 8.172 6.188 -7.381 702 HB ILE 112 HB ILE 112 8.256 6.744 -10.347 703 HG13 ILE 112 2HG1 ILE 112 7.433 4.385 -10.536 704 HG21 ILE 112 1HG2 ILE 112 9.621 4.391 -9.169 705 HG22 ILE 112 2HG2 ILE 112 10.099 5.451 -10.517 706 HG23 ILE 112 3HG2 ILE 112 10.351 5.980 -8.836 707 HD11 ILE 112 3HD1 ILE 112 6.171 4.542 -7.855 708 HD12 ILE 112 1HD1 ILE 112 6.843 3.136 -8.716 709 HD13 ILE 112 2HD1 ILE 112 7.924 4.232 -7.823 710 H ALA 113 H ALA 113 10.284 6.814 -6.859 711 HA ALA 113 HA ALA 113 11.406 9.192 -7.955 712 HB1 ALA 113 3HB ALA 113 10.564 10.695 -6.513 713 HB2 ALA 113 1HB ALA 113 9.675 9.418 -5.649 714 HB3 ALA 113 2HB ALA 113 11.348 9.810 -5.183 715 H ARG 114 H ARG 114 13.609 9.580 -7.037 716 HA ARG 114 HA ARG 114 14.716 7.031 -6.328 717 HB3 ARG 114 2HB ARG 114 16.573 9.338 -6.492 718 HG3 ARG 114 2HG ARG 114 16.964 7.510 -8.626 719 HD3 ARG 114 2HD ARG 114 18.160 7.755 -5.832 720 HE ARG 114 HE ARG 114 18.446 5.458 -7.283 721 HH11 ARG 114 2HH2 ARG 114 20.651 8.141 -6.713 722 HH12 ARG 114 1HH2 ARG 114 22.075 7.165 -6.848 723 HH21 ARG 114 2HH1 ARG 114 20.325 4.170 -7.461 724 HH22 ARG 114 1HH1 ARG 114 21.888 4.892 -7.276 725 H ASP 115 H ASP 115 13.133 8.058 -4.242 726 HA ASP 115 HA ASP 115 15.147 8.363 -2.237 727 HB3 ASP 115 2HB ASP 115 13.102 10.282 -1.573 728 H GLY 116 H GLY 116 14.191 7.928 -0.039 729 HA2 GLY 116 1HA GLY 116 11.387 7.105 0.012 730 HA3 GLY 116 2HA GLY 116 12.590 5.859 0.282 731 H LYS 117 H LYS 117 14.267 6.283 2.042 732 HA LYS 117 HA LYS 117 14.853 6.897 4.088 733 HB3 LYS 117 2HB LYS 117 13.126 8.990 4.865 734 HG3 LYS 117 2HG LYS 117 15.367 10.207 3.785 735 HD3 LYS 117 2HD LYS 117 16.414 9.737 6.080 736 HE3 LYS 117 2HE LYS 117 13.484 10.585 6.193 737 HZ1 LYS 117 3HZ LYS 117 15.834 11.530 7.678 738 HZ2 LYS 117 1HZ LYS 117 14.276 11.940 7.942 739 HZ3 LYS 117 2HZ LYS 117 14.785 10.421 8.258 740 H ILE 118 H ILE 118 13.520 7.470 6.409 741 HA ILE 118 HA ILE 118 11.543 5.304 6.479 742 HB ILE 118 HB ILE 118 13.456 6.359 8.557 743 HG13 ILE 118 2HG1 ILE 118 13.853 4.492 6.578 744 HG21 ILE 118 1HG2 ILE 118 12.512 4.820 10.143 745 HG22 ILE 118 2HG2 ILE 118 11.220 5.885 9.539 746 HG23 ILE 118 3HG2 ILE 118 11.351 4.215 8.938 747 HD11 ILE 118 3HD1 ILE 118 15.848 5.015 7.556 748 HD12 ILE 118 1HD1 ILE 118 15.101 5.269 9.151 749 HD13 ILE 118 2HD1 ILE 118 15.516 3.623 8.614 750 H TYR 119 H TYR 119 9.632 6.386 6.016 751 HA TYR 119 HA TYR 119 9.061 8.754 7.647 752 HB3 TYR 119 2HB TYR 119 7.091 7.887 5.619 753 HD1 TYR 119 1HD TYR 119 10.092 10.156 5.646 754 HD2 TYR 119 2HD TYR 119 5.838 9.812 5.347 755 HE1 TYR 119 1HE TYR 119 9.905 12.670 5.316 756 HE2 TYR 119 2HE TYR 119 5.666 12.327 5.019 757 HH TYR 119 HH TYR 119 6.928 14.144 4.358 758 H LYS 120 H LYS 120 8.958 5.709 8.387 759 HA LYS 120 HA LYS 120 6.345 4.882 8.600 760 HB3 LYS 120 2HB LYS 120 8.509 3.620 9.089 761 HG3 LYS 120 2HG LYS 120 8.737 5.530 11.142 762 HD3 LYS 120 2HD LYS 120 8.613 3.014 12.689 763 HE3 LYS 120 2HE LYS 120 7.300 5.718 13.213 764 HZ1 LYS 120 3HZ LYS 120 8.427 3.749 15.071 765 HZ2 LYS 120 1HZ LYS 120 7.493 5.041 15.432 766 HZ3 LYS 120 2HZ LYS 120 6.850 3.761 14.648 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -26.388 4.763 12.177 2 HA2 GLY 1 1HA GLY 1 -23.707 3.521 12.227 3 HA3 GLY 1 2HA GLY 1 -24.999 3.213 13.371 4 H SER 2 H SER 2 -23.715 2.529 10.147 5 HA SER 2 HA SER 2 -25.759 0.463 9.913 6 HB3 SER 2 2HB SER 2 -24.688 1.155 7.318 7 HG SER 2 HG SER 2 -26.987 0.433 8.312 8 H SER 3 H SER 3 -24.407 -1.166 10.826 9 HA SER 3 HA SER 3 -22.042 -1.723 9.211 10 HB3 SER 3 2HB SER 3 -22.367 -2.454 12.149 11 HG SER 3 HG SER 3 -19.906 -2.315 11.838 12 H GLY 4 H GLY 4 -21.692 -3.939 8.634 13 HA2 GLY 4 1HA GLY 4 -24.094 -5.578 8.759 14 HA3 GLY 4 2HA GLY 4 -22.659 -5.850 7.791 15 H SER 5 H SER 5 -23.715 -5.727 11.266 16 HA SER 5 HA SER 5 -21.796 -7.873 11.735 17 HB3 SER 5 2HB SER 5 -21.198 -5.969 13.075 18 HG SER 5 HG SER 5 -23.827 -5.928 14.253 19 H SER 6 H SER 6 -23.059 -9.720 11.379 20 HA SER 6 HA SER 6 -25.374 -9.929 13.133 21 HB3 SER 6 2HB SER 6 -26.107 -9.563 10.766 22 HG SER 6 HG SER 6 -24.124 -11.231 10.169 23 H GLY 7 H GLY 7 -25.686 -12.025 14.080 24 HA2 GLY 7 1HA GLY 7 -23.304 -13.591 14.313 25 HA3 GLY 7 2HA GLY 7 -24.859 -13.885 15.067 26 H ALA 8 H ALA 8 -24.239 -16.205 14.490 27 HA ALA 8 HA ALA 8 -25.022 -16.754 11.708 28 HB1 ALA 8 3HB ALA 8 -22.814 -17.502 11.838 29 HB2 ALA 8 1HB ALA 8 -22.968 -17.983 13.544 30 HB3 ALA 8 2HB ALA 8 -23.720 -18.971 12.269 31 H SER 9 H SER 9 -26.783 -18.071 11.386 32 HA SER 9 HA SER 9 -28.016 -19.049 13.834 33 HB3 SER 9 2HB SER 9 -29.556 -18.949 11.264 34 HG SER 9 HG SER 9 -31.190 -18.859 12.649 35 H ILE 10 H ILE 10 -27.724 -19.884 10.297 36 HA ILE 10 HA ILE 10 -27.380 -22.674 11.129 37 HB ILE 10 HB ILE 10 -28.690 -23.264 9.042 38 HG13 ILE 10 2HG1 ILE 10 -28.598 -20.854 8.179 39 HG21 ILE 10 1HG2 ILE 10 -30.427 -23.722 10.379 40 HG22 ILE 10 2HG2 ILE 10 -29.430 -22.992 11.660 41 HG23 ILE 10 3HG2 ILE 10 -30.664 -22.016 10.829 42 HD11 ILE 10 3HD1 ILE 10 -31.444 -21.432 8.006 43 HD12 ILE 10 1HD1 ILE 10 -30.194 -21.578 6.748 44 HD13 ILE 10 2HD1 ILE 10 -30.503 -22.936 7.858 45 H ASP 11 H ASP 11 -25.132 -21.342 10.893 46 HA ASP 11 HA ASP 11 -23.260 -21.121 9.818 47 HB3 ASP 11 2HB ASP 11 -23.050 -22.815 7.725 48 H ILE 12 H ILE 12 -23.511 -18.999 8.910 49 HA ILE 12 HA ILE 12 -25.030 -18.611 6.527 50 HB ILE 12 HB ILE 12 -23.190 -16.843 8.135 51 HG13 ILE 12 2HG1 ILE 12 -25.321 -17.555 9.204 52 HG21 ILE 12 1HG2 ILE 12 -23.167 -16.170 5.761 53 HG22 ILE 12 2HG2 ILE 12 -24.943 -16.053 5.791 54 HG23 ILE 12 3HG2 ILE 12 -23.962 -14.967 6.806 55 HD11 ILE 12 3HD1 ILE 12 -24.258 -15.272 9.587 56 HD12 ILE 12 1HD1 ILE 12 -25.377 -14.625 8.364 57 HD13 ILE 12 2HD1 ILE 12 -26.014 -15.331 9.868 58 H GLN 13 H GLN 13 -24.078 -20.167 5.067 59 HA GLN 13 HA GLN 13 -21.474 -19.253 4.118 60 HB3 GLN 13 2HB GLN 13 -21.814 -21.913 3.230 61 HG3 GLN 13 2HG GLN 13 -20.061 -20.367 5.029 62 HE21 GLN 13 1HE2 GLN 13 -18.309 -22.816 5.080 63 HE22 GLN 13 2HE2 GLN 13 -18.751 -23.683 6.513 64 H ILE 14 H ILE 14 -21.452 -18.509 2.033 65 HA ILE 14 HA ILE 14 -23.627 -19.416 0.286 66 HB ILE 14 HB ILE 14 -22.578 -16.612 0.174 67 HG13 ILE 14 2HG1 ILE 14 -23.291 -17.023 2.517 68 HG21 ILE 14 1HG2 ILE 14 -25.366 -16.917 -0.388 69 HG22 ILE 14 2HG2 ILE 14 -24.044 -16.432 -1.476 70 HG23 ILE 14 3HG2 ILE 14 -24.457 -18.153 -1.290 71 HD11 ILE 14 3HD1 ILE 14 -24.825 -15.185 0.670 72 HD12 ILE 14 1HD1 ILE 14 -25.276 -15.276 2.389 73 HD13 ILE 14 2HD1 ILE 14 -23.631 -14.778 1.926 74 H ILE 15 H ILE 15 -22.536 -20.810 -1.037 75 HA ILE 15 HA ILE 15 -19.834 -20.378 -1.756 76 HB ILE 15 HB ILE 15 -21.958 -22.227 -2.843 77 HG13 ILE 15 2HG1 ILE 15 -20.097 -22.323 -0.539 78 HG21 ILE 15 1HG2 ILE 15 -18.971 -22.429 -3.276 79 HG22 ILE 15 2HG2 ILE 15 -20.257 -23.429 -3.992 80 HG23 ILE 15 3HG2 ILE 15 -20.097 -21.719 -4.459 81 HD11 ILE 15 3HD1 ILE 15 -22.251 -22.558 0.231 82 HD12 ILE 15 1HD1 ILE 15 -22.845 -23.184 -1.325 83 HD13 ILE 15 2HD1 ILE 15 -21.987 -24.264 -0.201 84 H ASP 16 H ASP 16 -19.148 -18.749 -3.032 85 HA ASP 16 HA ASP 16 -20.258 -18.495 -5.608 86 HB3 ASP 16 2HB ASP 16 -20.480 -15.819 -4.896 87 H ARG 17 H ARG 17 -18.925 -16.874 -6.901 88 HA ARG 17 HA ARG 17 -16.307 -17.096 -6.511 89 HB3 ARG 17 2HB ARG 17 -16.327 -14.662 -7.741 90 HG3 ARG 17 2HG ARG 17 -17.391 -17.258 -8.953 91 HD3 ARG 17 2HD ARG 17 -15.862 -15.829 -10.845 92 HE ARG 17 HE ARG 17 -18.761 -15.543 -11.057 93 HH11 ARG 17 2HH2 ARG 17 -16.098 -17.835 -11.243 94 HH12 ARG 17 1HH2 ARG 17 -16.956 -18.945 -12.260 95 HH21 ARG 17 2HH1 ARG 17 -19.894 -17.006 -12.398 96 HH22 ARG 17 1HH1 ARG 17 -19.129 -18.470 -12.921 97 HA PRO 18 HA PRO 18 -15.305 -14.434 -3.198 98 HB3 PRO 18 2HB PRO 18 -13.379 -15.610 -2.738 99 HG3 PRO 18 2HG PRO 18 -12.582 -16.876 -4.495 100 HD3 PRO 18 2HD PRO 18 -14.521 -17.177 -5.694 101 H GLY 19 H GLY 19 -15.081 -12.298 -2.589 102 HA2 GLY 19 1HA GLY 19 -15.232 -10.490 -4.844 103 HA3 GLY 19 2HA GLY 19 -15.444 -10.111 -3.146 104 HA PRO 20 HA PRO 20 -11.324 -8.608 -4.344 105 HB3 PRO 20 2HB PRO 20 -11.903 -6.579 -5.267 106 HG3 PRO 20 2HG PRO 20 -14.113 -5.987 -4.982 107 HD3 PRO 20 2HD PRO 20 -15.058 -8.064 -4.696 108 HA PRO 21 HA PRO 21 -9.609 -8.584 -0.458 109 HB3 PRO 21 2HB PRO 21 -7.437 -8.539 -1.222 110 HG3 PRO 21 2HG PRO 21 -7.166 -7.575 -3.300 111 HD3 PRO 21 2HD PRO 21 -9.275 -7.878 -4.168 112 H GLN 22 H GLN 22 -9.628 -7.753 1.634 113 HA GLN 22 HA GLN 22 -11.500 -5.973 2.189 114 HB3 GLN 22 2HB GLN 22 -9.756 -5.363 4.202 115 HG3 GLN 22 2HG GLN 22 -10.759 -8.198 4.145 116 HE21 GLN 22 1HE2 GLN 22 -8.975 -7.464 5.855 117 HE22 GLN 22 2HE2 GLN 22 -9.611 -7.019 7.404 118 H ILE 23 H ILE 23 -7.985 -5.103 1.811 119 HA ILE 23 HA ILE 23 -8.757 -2.607 0.610 120 HB ILE 23 HB ILE 23 -8.799 -2.394 3.201 121 HG13 ILE 23 2HG1 ILE 23 -8.740 -0.178 2.843 122 HG21 ILE 23 1HG2 ILE 23 -5.820 -2.150 2.701 123 HG22 ILE 23 2HG2 ILE 23 -6.681 -1.851 4.231 124 HG23 ILE 23 3HG2 ILE 23 -6.614 -3.496 3.554 125 HD11 ILE 23 3HD1 ILE 23 -6.323 0.058 3.085 126 HD12 ILE 23 1HD1 ILE 23 -6.056 -0.610 1.456 127 HD13 ILE 23 2HD1 ILE 23 -6.835 0.979 1.650 128 H VAL 24 H VAL 24 -6.763 -1.406 -0.170 129 HA VAL 24 HA VAL 24 -4.423 -3.131 -0.348 130 HB VAL 24 HB VAL 24 -5.869 -1.993 -2.749 131 HG11 VAL 24 1HG1 VAL 24 -4.089 -3.679 -3.820 132 HG12 VAL 24 2HG1 VAL 24 -3.707 -1.971 -3.493 133 HG13 VAL 24 3HG1 VAL 24 -3.182 -3.234 -2.354 134 HG21 VAL 24 3HG2 VAL 24 -6.976 -3.980 -1.682 135 HG22 VAL 24 1HG2 VAL 24 -6.428 -4.250 -3.353 136 HG23 VAL 24 2HG2 VAL 24 -5.488 -4.906 -1.991 137 H LYS 25 H LYS 25 -2.803 -1.880 0.417 138 HA LYS 25 HA LYS 25 -2.797 0.924 -0.453 139 HB3 LYS 25 2HB LYS 25 -3.488 0.924 1.847 140 HG3 LYS 25 2HG LYS 25 -1.343 -1.156 2.093 141 HD3 LYS 25 2HD LYS 25 -1.023 1.157 3.605 142 HE3 LYS 25 2HE LYS 25 -1.757 -0.370 5.877 143 HZ1 LYS 25 3HZ LYS 25 -1.948 2.139 5.076 144 HZ2 LYS 25 1HZ LYS 25 -3.525 1.719 5.019 145 HZ3 LYS 25 2HZ LYS 25 -2.690 1.568 6.414 146 H ILE 26 H ILE 26 -0.451 1.864 -0.095 147 HA ILE 26 HA ILE 26 1.408 -0.205 -1.044 148 HB ILE 26 HB ILE 26 1.149 2.703 -1.803 149 HG13 ILE 26 2HG1 ILE 26 -0.038 0.397 -2.854 150 HG21 ILE 26 1HG2 ILE 26 3.231 2.766 -2.636 151 HG22 ILE 26 2HG2 ILE 26 3.548 1.449 -1.481 152 HG23 ILE 26 3HG2 ILE 26 3.179 1.072 -3.181 153 HD11 ILE 26 3HD1 ILE 26 -0.615 1.972 -4.754 154 HD12 ILE 26 1HD1 ILE 26 -0.944 2.638 -3.137 155 HD13 ILE 26 2HD1 ILE 26 0.502 3.157 -4.036 156 H GLU 27 H GLU 27 2.734 -0.778 0.596 157 HA GLU 27 HA GLU 27 3.080 0.531 2.909 158 HB3 GLU 27 2HB GLU 27 5.603 -0.700 2.103 159 HG3 GLU 27 2HG GLU 27 3.582 -2.159 3.762 160 H ASP 28 H ASP 28 4.952 0.979 -0.146 161 HA ASP 28 HA ASP 28 5.378 3.635 0.256 162 HB3 ASP 28 2HB ASP 28 8.064 2.419 0.691 163 H VAL 29 H VAL 29 7.575 4.281 -1.163 164 HA VAL 29 HA VAL 29 8.077 2.288 -3.206 165 HB VAL 29 HB VAL 29 6.138 3.247 -4.132 166 HG11 VAL 29 1HG1 VAL 29 5.683 5.621 -4.301 167 HG12 VAL 29 2HG1 VAL 29 6.026 5.211 -2.603 168 HG13 VAL 29 3HG1 VAL 29 7.269 6.014 -3.594 169 HG21 VAL 29 3HG2 VAL 29 6.950 4.364 -6.148 170 HG22 VAL 29 1HG2 VAL 29 8.503 4.713 -5.352 171 HG23 VAL 29 2HG2 VAL 29 8.036 3.030 -5.693 172 H TRP 30 H TRP 30 10.224 2.309 -3.633 173 HA TRP 30 HA TRP 30 11.626 4.862 -3.251 174 HB3 TRP 30 2HB TRP 30 12.103 3.563 -1.307 175 HD1 TRP 30 HD TRP 30 14.570 1.271 -2.945 176 HE1 TRP 30 1HE TRP 30 13.960 -1.278 -2.644 177 HE3 TRP 30 3HE TRP 30 9.844 2.064 -1.244 178 HZ2 TRP 30 2HZ TRP 30 11.620 -2.646 -1.748 179 HZ3 TRP 30 3HZ TRP 30 8.463 0.067 -0.678 180 HH2 TRP 30 HH TRP 30 9.281 -2.225 -0.906 181 H GLY 31 H GLY 31 13.207 5.299 -4.840 182 HA2 GLY 31 1HA GLY 31 13.893 5.251 -7.006 183 HA3 GLY 31 2HA GLY 31 14.568 3.715 -6.500 184 H GLU 32 H GLU 32 14.082 2.042 -7.842 185 HA GLU 32 HA GLU 32 11.611 2.276 -9.353 186 HB3 GLU 32 2HB GLU 32 12.632 0.648 -10.911 187 HG3 GLU 32 2HG GLU 32 14.687 2.783 -10.186 188 H ASN 33 H ASN 33 11.731 1.442 -6.499 189 HA ASN 33 HA ASN 33 10.694 -1.252 -6.891 190 HB3 ASN 33 2HB ASN 33 11.534 -1.839 -4.622 191 HD21 ASN 33 1HD2 ASN 33 13.962 0.487 -5.501 192 HD22 ASN 33 2HD2 ASN 33 15.070 -0.585 -6.292 193 H VAL 34 H VAL 34 8.576 -1.481 -6.096 194 HA VAL 34 HA VAL 34 7.599 0.701 -4.384 195 HB VAL 34 HB VAL 34 6.449 -0.715 -6.747 196 HG11 VAL 34 1HG1 VAL 34 4.162 0.093 -6.054 197 HG12 VAL 34 2HG1 VAL 34 4.793 -1.280 -5.113 198 HG13 VAL 34 3HG1 VAL 34 4.823 0.361 -4.424 199 HG21 VAL 34 3HG2 VAL 34 7.439 1.560 -6.915 200 HG22 VAL 34 1HG2 VAL 34 5.715 1.515 -7.356 201 HG23 VAL 34 2HG2 VAL 34 6.212 2.150 -5.769 202 H ALA 35 H ALA 35 5.887 0.070 -2.822 203 HA ALA 35 HA ALA 35 6.130 -2.767 -2.086 204 HB1 ALA 35 3HB ALA 35 6.473 -0.249 -0.480 205 HB2 ALA 35 1HB ALA 35 5.759 -1.675 0.311 206 HB3 ALA 35 2HB ALA 35 7.385 -1.775 -0.409 207 H LEU 36 H LEU 36 4.203 -3.795 -2.187 208 HA LEU 36 HA LEU 36 1.806 -2.115 -2.034 209 HB3 LEU 36 2HB LEU 36 0.801 -4.295 -3.054 210 HG LEU 36 HG LEU 36 2.621 -2.507 -4.690 211 HD11 LEU 36 1HD1 LEU 36 1.750 -4.909 -5.544 212 HD12 LEU 36 2HD1 LEU 36 0.347 -3.904 -5.980 213 HD13 LEU 36 3HD1 LEU 36 1.962 -3.498 -6.608 214 HD21 LEU 36 3HD2 LEU 36 -0.339 -2.377 -4.068 215 HD22 LEU 36 1HD2 LEU 36 0.923 -1.202 -3.627 216 HD23 LEU 36 2HD2 LEU 36 0.463 -1.414 -5.333 217 H THR 37 H THR 37 0.004 -2.816 -0.734 218 HA THR 37 HA THR 37 0.459 -5.035 1.071 219 HB THR 37 HB THR 37 -0.124 -3.227 2.976 220 HG1 THR 37 1HG THR 37 1.134 -1.896 0.690 221 HG21 THR 37 3HG2 THR 37 2.687 -2.806 2.102 222 HG22 THR 37 1HG2 THR 37 2.070 -3.448 3.643 223 HG23 THR 37 2HG2 THR 37 2.230 -4.521 2.232 224 H TRP 38 H TRP 38 -1.348 -6.179 0.769 225 HA TRP 38 HA TRP 38 -3.863 -4.654 0.803 226 HB3 TRP 38 2HB TRP 38 -3.449 -5.452 -1.437 227 HD1 TRP 38 HD TRP 38 -4.489 -8.953 -0.248 228 HE1 TRP 38 1HE TRP 38 -2.804 -10.799 -1.092 229 HE3 TRP 38 3HE TRP 38 -1.024 -5.705 -2.065 230 HZ2 TRP 38 2HZ TRP 38 -0.267 -10.697 -2.397 231 HZ3 TRP 38 3HZ TRP 38 1.029 -6.661 -3.109 232 HH2 TRP 38 HH TRP 38 1.435 -9.064 -3.290 233 H THR 39 H THR 39 -5.645 -5.764 1.895 234 HA THR 39 HA THR 39 -4.644 -7.590 3.950 235 HB THR 39 HB THR 39 -6.948 -6.941 4.959 236 HG1 THR 39 1HG THR 39 -7.832 -5.042 3.822 237 HG21 THR 39 3HG2 THR 39 -5.110 -5.694 5.880 238 HG22 THR 39 1HG2 THR 39 -4.790 -4.878 4.331 239 HG23 THR 39 2HG2 THR 39 -6.232 -4.449 5.281 240 HA PRO 40 HA PRO 40 -6.754 -10.982 2.393 241 HB3 PRO 40 2HB PRO 40 -5.814 -12.395 3.949 242 HG3 PRO 40 2HG PRO 40 -5.122 -11.364 5.894 243 HD3 PRO 40 2HD PRO 40 -4.811 -9.218 5.128 244 HA PRO 41 HA PRO 41 -10.963 -10.465 2.277 245 HB3 PRO 41 2HB PRO 41 -11.199 -11.738 0.372 246 HG3 PRO 41 2HG PRO 41 -9.518 -13.279 0.030 247 HD3 PRO 41 2HD PRO 41 -7.816 -12.301 1.228 248 H LYS 42 H LYS 42 -12.183 -9.965 3.974 249 HA LYS 42 HA LYS 42 -12.164 -11.841 6.160 250 HB3 LYS 42 2HB LYS 42 -13.910 -9.839 6.855 251 HG3 LYS 42 2HG LYS 42 -11.052 -9.111 7.150 252 HD3 LYS 42 2HD LYS 42 -12.215 -10.004 9.589 253 HE3 LYS 42 2HE LYS 42 -12.547 -7.133 8.856 254 HZ1 LYS 42 3HZ LYS 42 -11.709 -8.744 11.035 255 HZ2 LYS 42 1HZ LYS 42 -10.726 -7.460 10.808 256 HZ3 LYS 42 2HZ LYS 42 -12.327 -7.232 11.039 257 H ASP 43 H ASP 43 -13.838 -11.559 3.246 258 HA ASP 43 HA ASP 43 -16.340 -12.436 4.376 259 HB3 ASP 43 2HB ASP 43 -15.431 -11.847 1.522 260 H ASP 44 H ASP 44 -13.769 -13.471 2.018 261 HA ASP 44 HA ASP 44 -13.073 -15.413 1.355 262 HB3 ASP 44 2HB ASP 44 -14.567 -16.465 3.804 263 H GLY 45 H GLY 45 -14.016 -16.143 -0.559 264 HA2 GLY 45 1HA GLY 45 -16.753 -16.303 -1.034 265 HA3 GLY 45 2HA GLY 45 -15.489 -17.052 -1.990 266 H ASN 46 H ASN 46 -14.931 -19.267 -1.676 267 HA ASN 46 HA ASN 46 -15.644 -20.801 0.440 268 HB3 ASN 46 2HB ASN 46 -17.632 -21.599 -1.645 269 HD21 ASN 46 1HD2 ASN 46 -19.276 -20.281 0.820 270 HD22 ASN 46 2HD2 ASN 46 -19.355 -21.597 1.944 271 H ALA 47 H ALA 47 -13.480 -20.577 -1.342 272 HA ALA 47 HA ALA 47 -13.422 -23.241 -2.465 273 HB1 ALA 47 3HB ALA 47 -12.581 -20.978 -4.271 274 HB2 ALA 47 1HB ALA 47 -13.056 -22.641 -4.688 275 HB3 ALA 47 2HB ALA 47 -14.293 -21.458 -4.200 276 H ALA 48 H ALA 48 -12.240 -21.726 -0.179 277 HA ALA 48 HA ALA 48 -10.278 -21.346 0.782 278 HB1 ALA 48 3HB ALA 48 -9.436 -23.494 -1.205 279 HB2 ALA 48 1HB ALA 48 -8.468 -22.973 0.194 280 HB3 ALA 48 2HB ALA 48 -10.049 -23.750 0.446 281 H ILE 49 H ILE 49 -9.688 -19.239 0.387 282 HA ILE 49 HA ILE 49 -9.100 -18.118 -2.023 283 HB ILE 49 HB ILE 49 -8.131 -17.512 0.761 284 HG13 ILE 49 2HG1 ILE 49 -10.525 -16.944 -0.796 285 HG21 ILE 49 1HG2 ILE 49 -7.708 -15.838 -1.730 286 HG22 ILE 49 2HG2 ILE 49 -7.370 -15.333 -0.057 287 HG23 ILE 49 3HG2 ILE 49 -6.445 -16.666 -0.788 288 HD11 ILE 49 3HD1 ILE 49 -11.457 -16.579 1.367 289 HD12 ILE 49 1HD1 ILE 49 -10.230 -17.844 1.620 290 HD13 ILE 49 2HD1 ILE 49 -9.876 -16.157 2.067 291 H THR 50 H THR 50 -7.878 -19.304 -3.479 292 HA THR 50 HA THR 50 -5.616 -20.773 -2.888 293 HB THR 50 HB THR 50 -6.523 -19.268 -5.395 294 HG1 THR 50 1HG THR 50 -6.482 -22.073 -4.532 295 HG21 THR 50 3HG2 THR 50 -4.102 -19.836 -5.617 296 HG22 THR 50 1HG2 THR 50 -4.441 -21.493 -5.065 297 HG23 THR 50 2HG2 THR 50 -5.092 -20.923 -6.620 298 H GLY 51 H GLY 51 -5.692 -17.388 -4.205 299 HA2 GLY 51 1HA GLY 51 -3.540 -16.600 -2.487 300 HA3 GLY 51 2HA GLY 51 -3.003 -16.876 -4.132 301 H TYR 52 H TYR 52 -2.646 -14.780 -4.856 302 HA TYR 52 HA TYR 52 -5.016 -13.202 -5.326 303 HB3 TYR 52 2HB TYR 52 -4.004 -11.232 -4.156 304 HD1 TYR 52 1HD TYR 52 -6.098 -11.691 -2.909 305 HD2 TYR 52 2HD TYR 52 -2.442 -13.705 -1.967 306 HE1 TYR 52 1HE TYR 52 -7.062 -12.411 -0.669 307 HE2 TYR 52 2HE TYR 52 -3.419 -14.418 0.269 308 HH TYR 52 HH TYR 52 -5.844 -14.821 1.125 309 H THR 53 H THR 53 -4.729 -11.653 -7.015 310 HA THR 53 HA THR 53 -2.204 -12.034 -8.479 311 HB THR 53 HB THR 53 -5.025 -11.307 -9.431 312 HG1 THR 53 1HG THR 53 -3.252 -13.640 -9.646 313 HG21 THR 53 3HG2 THR 53 -2.671 -12.239 -11.124 314 HG22 THR 53 1HG2 THR 53 -4.190 -11.486 -11.664 315 HG23 THR 53 2HG2 THR 53 -2.956 -10.505 -10.839 316 H ILE 54 H ILE 54 -0.971 -10.315 -9.129 317 HA ILE 54 HA ILE 54 -1.936 -7.706 -8.179 318 HB ILE 54 HB ILE 54 0.858 -8.849 -8.212 319 HG13 ILE 54 2HG1 ILE 54 -1.236 -8.831 -6.246 320 HG21 ILE 54 1HG2 ILE 54 1.581 -6.761 -8.477 321 HG22 ILE 54 2HG2 ILE 54 -0.057 -6.086 -8.303 322 HG23 ILE 54 3HG2 ILE 54 0.925 -6.426 -6.857 323 HD11 ILE 54 3HD1 ILE 54 0.915 -10.395 -6.931 324 HD12 ILE 54 1HD1 ILE 54 1.542 -9.577 -5.480 325 HD13 ILE 54 2HD1 ILE 54 0.042 -10.528 -5.386 326 H GLN 55 H GLN 55 -1.732 -5.929 -9.561 327 HA GLN 55 HA GLN 55 -0.425 -6.403 -12.087 328 HB3 GLN 55 2HB GLN 55 -2.404 -5.616 -13.381 329 HG3 GLN 55 2HG GLN 55 -3.406 -7.888 -11.653 330 HE21 GLN 55 1HE2 GLN 55 -4.449 -9.468 -12.906 331 HE22 GLN 55 2HE2 GLN 55 -5.087 -9.127 -14.479 332 H LYS 56 H LYS 56 0.386 -4.485 -13.039 333 HA LYS 56 HA LYS 56 -0.165 -2.047 -11.495 334 HB3 LYS 56 2HB LYS 56 2.099 -3.096 -11.089 335 HG3 LYS 56 2HG LYS 56 2.923 -1.932 -13.747 336 HD3 LYS 56 2HD LYS 56 3.945 -4.319 -12.140 337 HE3 LYS 56 2HE LYS 56 5.727 -2.739 -13.931 338 HZ1 LYS 56 3HZ LYS 56 6.531 -4.696 -12.979 339 HZ2 LYS 56 1HZ LYS 56 5.210 -5.570 -13.377 340 HZ3 LYS 56 2HZ LYS 56 6.250 -5.085 -14.540 341 H ALA 57 H ALA 57 -0.656 -0.201 -12.651 342 HA ALA 57 HA ALA 57 -0.585 -0.503 -15.576 343 HB1 ALA 57 3HB ALA 57 -2.653 1.213 -15.169 344 HB2 ALA 57 1HB ALA 57 -2.852 -0.550 -15.306 345 HB3 ALA 57 2HB ALA 57 -2.784 0.216 -13.700 346 H ASP 58 H ASP 58 -0.517 1.650 -16.731 347 HA ASP 58 HA ASP 58 1.238 3.383 -15.211 348 HB3 ASP 58 2HB ASP 58 2.413 3.229 -17.151 349 H LYS 59 H LYS 59 0.964 5.839 -15.740 350 HA LYS 59 HA LYS 59 -1.888 6.440 -15.697 351 HB3 LYS 59 2HB LYS 59 -0.274 8.745 -15.221 352 HG3 LYS 59 2HG LYS 59 -1.217 8.280 -12.829 353 HD3 LYS 59 2HD LYS 59 -3.679 8.290 -14.262 354 HE3 LYS 59 2HE LYS 59 -1.845 10.321 -12.999 355 HZ1 LYS 59 3HZ LYS 59 -3.669 11.930 -13.611 356 HZ2 LYS 59 1HZ LYS 59 -2.574 11.587 -14.773 357 HZ3 LYS 59 2HZ LYS 59 -4.057 10.904 -14.820 358 H LYS 60 H LYS 60 -0.053 5.720 -18.121 359 HA LYS 60 HA LYS 60 -0.704 8.140 -19.657 360 HB3 LYS 60 2HB LYS 60 1.696 7.855 -19.501 361 HG3 LYS 60 2HG LYS 60 2.003 5.441 -21.080 362 HD3 LYS 60 2HD LYS 60 2.958 5.044 -18.427 363 HE3 LYS 60 2HE LYS 60 4.542 6.393 -20.643 364 HZ1 LYS 60 3HZ LYS 60 5.061 4.687 -18.375 365 HZ2 LYS 60 1HZ LYS 60 5.963 4.413 -19.709 366 HZ3 LYS 60 2HZ LYS 60 5.971 5.887 -19.006 367 H SER 61 H SER 61 -0.867 4.601 -19.343 368 HA SER 61 HA SER 61 -2.742 4.659 -21.571 369 HB3 SER 61 2HB SER 61 -1.706 2.044 -21.509 370 HG SER 61 HG SER 61 -0.440 3.854 -23.264 371 H MET 62 H MET 62 -1.589 3.094 -18.534 372 HA MET 62 HA MET 62 -2.636 2.073 -16.925 373 HB3 MET 62 2HB MET 62 -5.384 2.399 -17.185 374 HG3 MET 62 2HG MET 62 -3.755 4.815 -16.385 375 HE1 MET 62 3HE MET 62 -5.391 2.725 -13.406 376 HE2 MET 62 1HE MET 62 -6.998 2.498 -14.136 377 HE3 MET 62 2HE MET 62 -5.552 1.853 -14.949 378 H GLU 63 H GLU 63 -2.041 0.623 -19.366 379 HA GLU 63 HA GLU 63 -4.317 -1.040 -19.849 380 HB3 GLU 63 2HB GLU 63 -2.270 -2.299 -21.145 381 HG3 GLU 63 2HG GLU 63 -2.885 0.033 -22.710 382 H TRP 64 H TRP 64 -2.548 -0.799 -17.192 383 HA TRP 64 HA TRP 64 -1.720 -2.155 -15.631 384 HB3 TRP 64 2HB TRP 64 -3.137 -4.085 -15.080 385 HD1 TRP 64 HD TRP 64 -5.828 -2.003 -16.811 386 HE1 TRP 64 1HE TRP 64 -7.063 -0.398 -15.121 387 HE3 TRP 64 3HE TRP 64 -2.639 -2.780 -12.928 388 HZ2 TRP 64 2HZ TRP 64 -6.580 0.349 -12.410 389 HZ3 TRP 64 3HZ TRP 64 -3.092 -1.574 -10.794 390 HH2 TRP 64 HH TRP 64 -4.983 -0.054 -10.499 391 H PHE 65 H PHE 65 -1.424 -4.956 -15.408 392 HA PHE 65 HA PHE 65 -0.536 -6.298 -17.624 393 HB3 PHE 65 2HB PHE 65 1.982 -5.489 -16.296 394 HD1 PHE 65 1HD PHE 65 -0.110 -5.355 -19.356 395 HD2 PHE 65 2HD PHE 65 3.815 -5.594 -17.762 396 HE1 PHE 65 1HE PHE 65 0.792 -5.829 -21.649 397 HE2 PHE 65 2HE PHE 65 4.718 -6.068 -20.055 398 HZ PHE 65 HZ PHE 65 3.195 -6.180 -21.972 399 H THR 66 H THR 66 -0.642 -8.361 -16.889 400 HA THR 66 HA THR 66 -0.809 -9.054 -14.230 401 HB THR 66 HB THR 66 0.108 -10.672 -16.668 402 HG1 THR 66 1HG THR 66 -1.995 -9.763 -16.928 403 HG21 THR 66 3HG2 THR 66 0.123 -12.505 -15.307 404 HG22 THR 66 1HG2 THR 66 -0.124 -11.448 -13.897 405 HG23 THR 66 2HG2 THR 66 -1.528 -12.115 -14.766 406 H VAL 67 H VAL 67 0.596 -8.681 -12.636 407 HA VAL 67 HA VAL 67 3.423 -8.668 -13.254 408 HB VAL 67 HB VAL 67 1.757 -7.996 -10.832 409 HG11 VAL 67 1HG1 VAL 67 4.433 -7.131 -10.437 410 HG12 VAL 67 2HG1 VAL 67 3.505 -8.318 -9.488 411 HG13 VAL 67 3HG1 VAL 67 4.498 -8.859 -10.863 412 HG21 VAL 67 3HG2 VAL 67 2.781 -5.731 -11.225 413 HG22 VAL 67 1HG2 VAL 67 3.464 -6.368 -12.739 414 HG23 VAL 67 2HG2 VAL 67 1.700 -6.294 -12.523 415 H ILE 68 H ILE 68 1.013 -10.560 -11.353 416 HA ILE 68 HA ILE 68 2.634 -12.889 -11.612 417 HB ILE 68 HB ILE 68 3.206 -11.252 -9.423 418 HG13 ILE 68 2HG1 ILE 68 4.678 -13.101 -8.768 419 HG21 ILE 68 1HG2 ILE 68 2.574 -12.594 -7.482 420 HG22 ILE 68 2HG2 ILE 68 1.139 -11.978 -8.336 421 HG23 ILE 68 3HG2 ILE 68 1.627 -13.679 -8.528 422 HD11 ILE 68 3HD1 ILE 68 3.341 -14.686 -11.002 423 HD12 ILE 68 1HD1 ILE 68 4.613 -15.241 -9.886 424 HD13 ILE 68 2HD1 ILE 68 2.969 -14.932 -9.278 425 H GLU 69 H GLU 69 1.499 -14.799 -10.492 426 HA GLU 69 HA GLU 69 -1.315 -14.222 -10.105 427 HB3 GLU 69 2HB GLU 69 -1.906 -16.204 -11.555 428 HG3 GLU 69 2HG GLU 69 -0.591 -14.740 -13.637 429 H HIS 70 H HIS 70 -2.483 -16.086 -9.038 430 HA HIS 70 HA HIS 70 -2.548 -17.276 -7.156 431 HB3 HIS 70 2HB HIS 70 -2.007 -19.518 -7.526 432 HD1 HIS 70 1HD HIS 70 -4.161 -19.917 -8.799 433 HD2 HIS 70 2HD HIS 70 -1.190 -18.125 -11.157 434 HE1 HIS 70 1HE HIS 70 -5.054 -19.908 -11.189 435 H TYR 71 H TYR 71 -1.188 -15.310 -6.241 436 HA TYR 71 HA TYR 71 1.522 -15.975 -5.564 437 HB3 TYR 71 2HB TYR 71 -0.222 -13.865 -4.226 438 HD1 TYR 71 2HD TYR 71 2.883 -14.527 -6.221 439 HD2 TYR 71 1HD TYR 71 1.016 -12.208 -3.150 440 HE1 TYR 71 2HE TYR 71 5.106 -13.406 -5.708 441 HE2 TYR 71 1HE TYR 71 3.245 -11.094 -2.645 442 HH TYR 71 HH TYR 71 6.116 -11.846 -4.590 443 H HIS 72 H HIS 72 1.708 -15.023 -2.919 444 HA HIS 72 HA HIS 72 -0.018 -16.830 -1.417 445 HB3 HIS 72 2HB HIS 72 2.352 -17.152 -0.108 446 HD1 HIS 72 1HD HIS 72 3.607 -19.564 -1.707 447 HD2 HIS 72 2HD HIS 72 -0.498 -18.854 -1.220 448 HE1 HIS 72 1HE HIS 72 2.450 -21.816 -2.024 449 H ARG 73 H ARG 73 2.860 -14.698 -0.784 450 HA ARG 73 HA ARG 73 1.923 -13.763 1.592 451 HB3 ARG 73 2HB ARG 73 3.417 -11.628 0.696 452 HG3 ARG 73 2HG ARG 73 5.397 -13.504 1.194 453 HD3 ARG 73 2HD ARG 73 3.929 -11.472 2.664 454 HE ARG 73 HE ARG 73 4.019 -14.027 4.023 455 HH11 ARG 73 2HH2 ARG 73 4.493 -10.579 4.537 456 HH12 ARG 73 1HH2 ARG 73 4.124 -10.650 6.228 457 HH21 ARG 73 2HH1 ARG 73 3.532 -14.122 6.253 458 HH22 ARG 73 1HH1 ARG 73 3.573 -12.680 7.211 459 H THR 74 H THR 74 1.364 -11.319 2.045 460 HA THR 74 HA THR 74 -0.787 -10.590 0.191 461 HB THR 74 HB THR 74 -1.484 -9.197 2.245 462 HG1 THR 74 1HG THR 74 0.775 -9.284 3.102 463 HG21 THR 74 3HG2 THR 74 -1.166 -12.223 2.369 464 HG22 THR 74 1HG2 THR 74 -1.866 -11.328 3.738 465 HG23 THR 74 2HG2 THR 74 -2.657 -11.277 2.144 466 H SER 75 H SER 75 2.424 -9.977 0.459 467 HA SER 75 HA SER 75 1.991 -7.309 -0.594 468 HB3 SER 75 2HB SER 75 3.012 -6.338 1.168 469 HG SER 75 HG SER 75 2.377 -8.132 2.508 470 H ALA 76 H ALA 76 3.709 -6.617 -2.102 471 HA ALA 76 HA ALA 76 5.769 -8.518 -2.742 472 HB1 ALA 76 3HB ALA 76 3.617 -9.330 -3.881 473 HB2 ALA 76 1HB ALA 76 3.719 -7.861 -4.881 474 HB3 ALA 76 2HB ALA 76 5.025 -9.068 -4.937 475 H THR 77 H THR 77 7.450 -7.548 -3.972 476 HA THR 77 HA THR 77 7.213 -4.632 -4.100 477 HB THR 77 HB THR 77 9.601 -6.551 -4.131 478 HG1 THR 77 1HG THR 77 9.494 -6.111 -1.942 479 HG21 THR 77 3HG2 THR 77 9.550 -3.900 -5.061 480 HG22 THR 77 1HG2 THR 77 10.009 -3.729 -3.350 481 HG23 THR 77 2HG2 THR 77 10.985 -4.746 -4.436 482 H ILE 78 H ILE 78 6.927 -3.578 -5.958 483 HA ILE 78 HA ILE 78 7.011 -5.132 -8.393 484 HB ILE 78 HB ILE 78 6.291 -2.226 -8.050 485 HG13 ILE 78 2HG1 ILE 78 4.044 -2.809 -7.592 486 HG21 ILE 78 1HG2 ILE 78 5.742 -2.255 -10.204 487 HG22 ILE 78 2HG2 ILE 78 6.576 -3.824 -10.317 488 HG23 ILE 78 3HG2 ILE 78 4.822 -3.768 -10.023 489 HD11 ILE 78 3HD1 ILE 78 4.854 -5.406 -8.711 490 HD12 ILE 78 1HD1 ILE 78 3.955 -5.579 -7.185 491 HD13 ILE 78 2HD1 ILE 78 3.228 -4.700 -8.551 492 H THR 79 H THR 79 8.391 -4.753 -10.163 493 HA THR 79 HA THR 79 10.614 -2.902 -9.615 494 HB THR 79 HB THR 79 11.965 -4.794 -10.864 495 HG1 THR 79 1HG THR 79 10.070 -6.047 -11.419 496 HG21 THR 79 3HG2 THR 79 10.858 -5.058 -8.030 497 HG22 THR 79 1HG2 THR 79 12.028 -6.224 -8.693 498 HG23 THR 79 2HG2 THR 79 12.479 -4.510 -8.522 499 H GLU 80 H GLU 80 11.979 -2.745 -11.820 500 HA GLU 80 HA GLU 80 12.018 -1.842 -13.794 501 HB3 GLU 80 2HB GLU 80 9.938 -2.855 -15.328 502 HG3 GLU 80 2HG GLU 80 12.269 -4.659 -14.704 503 H LEU 81 H LEU 81 11.222 0.093 -12.370 504 HA LEU 81 HA LEU 81 8.745 1.092 -13.592 505 HB3 LEU 81 2HB LEU 81 8.381 2.340 -11.463 506 HG LEU 81 HG LEU 81 8.402 -0.681 -11.258 507 HD11 LEU 81 1HD1 LEU 81 8.152 -0.399 -9.057 508 HD12 LEU 81 2HD1 LEU 81 7.868 1.350 -9.216 509 HD13 LEU 81 3HD1 LEU 81 6.525 0.206 -9.449 510 HD21 LEU 81 3HD2 LEU 81 6.883 0.840 -12.890 511 HD22 LEU 81 1HD2 LEU 81 6.338 -0.694 -12.170 512 HD23 LEU 81 2HD2 LEU 81 5.873 0.854 -11.424 513 H VAL 82 H VAL 82 8.837 3.141 -14.471 514 HA VAL 82 HA VAL 82 11.500 4.246 -14.693 515 HB VAL 82 HB VAL 82 8.854 4.973 -15.966 516 HG11 VAL 82 1HG1 VAL 82 11.164 6.555 -15.744 517 HG12 VAL 82 2HG1 VAL 82 11.214 5.877 -17.388 518 HG13 VAL 82 3HG1 VAL 82 9.790 6.797 -16.850 519 HG21 VAL 82 3HG2 VAL 82 9.696 2.753 -16.617 520 HG22 VAL 82 1HG2 VAL 82 9.764 3.903 -17.973 521 HG23 VAL 82 2HG2 VAL 82 11.250 3.481 -17.089 522 H ILE 83 H ILE 83 12.247 6.038 -13.638 523 HA ILE 83 HA ILE 83 10.617 7.079 -11.535 524 HB ILE 83 HB ILE 83 13.411 7.646 -12.511 525 HG13 ILE 83 2HG1 ILE 83 12.993 5.466 -11.406 526 HG21 ILE 83 1HG2 ILE 83 13.021 8.708 -9.908 527 HG22 ILE 83 2HG2 ILE 83 13.448 9.566 -11.407 528 HG23 ILE 83 3HG2 ILE 83 11.738 9.364 -10.953 529 HD11 ILE 83 3HD1 ILE 83 14.700 7.602 -10.112 530 HD12 ILE 83 1HD1 ILE 83 14.609 5.982 -9.378 531 HD13 ILE 83 2HD1 ILE 83 15.205 6.173 -11.045 532 H GLY 84 H GLY 84 9.390 8.906 -11.512 533 HA2 GLY 84 1HA GLY 84 9.012 11.149 -12.150 534 HA3 GLY 84 2HA GLY 84 9.774 10.842 -13.698 535 H ASN 85 H ASN 85 7.290 8.873 -11.940 536 HA ASN 85 HA ASN 85 5.180 9.793 -13.525 537 HB3 ASN 85 2HB ASN 85 4.961 7.223 -14.470 538 HD21 ASN 85 1HD2 ASN 85 7.302 7.692 -16.470 539 HD22 ASN 85 2HD2 ASN 85 6.687 8.887 -17.563 540 H GLU 86 H GLU 86 3.158 8.333 -13.082 541 HA GLU 86 HA GLU 86 3.573 6.937 -10.552 542 HB3 GLU 86 2HB GLU 86 2.318 8.854 -9.977 543 HG3 GLU 86 2HG GLU 86 0.121 9.292 -11.404 544 H TYR 87 H TYR 87 1.960 5.153 -10.115 545 HA TYR 87 HA TYR 87 0.761 4.079 -12.556 546 HB3 TYR 87 2HB TYR 87 1.805 1.849 -11.852 547 HD1 TYR 87 2HD TYR 87 4.500 4.222 -10.995 548 HD2 TYR 87 1HD TYR 87 2.608 2.015 -14.135 549 HE1 TYR 87 2HE TYR 87 6.468 4.705 -12.530 550 HE2 TYR 87 1HE TYR 87 4.583 2.505 -15.659 551 HH TYR 87 HH TYR 87 6.419 4.620 -15.602 552 H TYR 88 H TYR 88 -0.662 2.106 -11.993 553 HA TYR 88 HA TYR 88 -1.870 2.565 -9.348 554 HB3 TYR 88 2HB TYR 88 -3.920 1.623 -10.820 555 HD1 TYR 88 1HD TYR 88 -3.884 3.675 -8.918 556 HD2 TYR 88 2HD TYR 88 -3.518 4.078 -13.161 557 HE1 TYR 88 1HE TYR 88 -4.745 6.063 -8.773 558 HE2 TYR 88 2HE TYR 88 -4.381 6.464 -13.002 559 HH TYR 88 HH TYR 88 -6.054 7.627 -10.754 560 H PHE 89 H PHE 89 -2.435 0.760 -8.121 561 HA PHE 89 HA PHE 89 -1.746 -1.821 -9.342 562 HB3 PHE 89 2HB PHE 89 -1.008 -2.394 -6.956 563 HD1 PHE 89 2HD PHE 89 0.587 -2.435 -9.181 564 HD2 PHE 89 1HD PHE 89 0.434 0.643 -6.264 565 HE1 PHE 89 2HE PHE 89 2.915 -1.730 -9.803 566 HE2 PHE 89 1HE PHE 89 2.761 1.347 -6.886 567 HZ PHE 89 HZ PHE 89 3.974 0.152 -8.648 568 H ARG 90 H ARG 90 -3.043 -3.631 -8.747 569 HA ARG 90 HA ARG 90 -5.215 -3.105 -6.946 570 HB3 ARG 90 2HB ARG 90 -6.314 -2.423 -8.968 571 HG3 ARG 90 2HG ARG 90 -5.249 -4.954 -10.306 572 HD3 ARG 90 2HD ARG 90 -6.620 -2.472 -11.454 573 HE ARG 90 HE ARG 90 -4.975 -4.224 -12.798 574 HH11 ARG 90 2HH2 ARG 90 -8.450 -3.673 -12.871 575 HH12 ARG 90 1HH2 ARG 90 -8.621 -4.158 -14.525 576 HH21 ARG 90 2HH1 ARG 90 -5.201 -4.864 -14.981 577 HH22 ARG 90 1HH1 ARG 90 -6.761 -4.840 -15.733 578 H VAL 91 H VAL 91 -5.505 -4.928 -5.681 579 HA VAL 91 HA VAL 91 -4.284 -7.399 -6.662 580 HB VAL 91 HB VAL 91 -5.045 -6.460 -3.891 581 HG11 VAL 91 1HG1 VAL 91 -4.953 -9.081 -4.722 582 HG12 VAL 91 2HG1 VAL 91 -3.294 -8.813 -4.136 583 HG13 VAL 91 3HG1 VAL 91 -4.678 -8.517 -3.056 584 HG21 VAL 91 3HG2 VAL 91 -2.240 -7.123 -4.451 585 HG22 VAL 91 1HG2 VAL 91 -2.852 -5.755 -5.412 586 HG23 VAL 91 2HG2 VAL 91 -2.944 -5.707 -3.634 587 H PHE 92 H PHE 92 -5.504 -9.186 -7.120 588 HA PHE 92 HA PHE 92 -8.382 -8.886 -6.657 589 HB3 PHE 92 2HB PHE 92 -8.522 -10.484 -8.581 590 HD1 PHE 92 2HD PHE 92 -5.286 -8.753 -9.099 591 HD2 PHE 92 1HD PHE 92 -9.461 -8.743 -9.852 592 HE1 PHE 92 2HE PHE 92 -4.983 -6.885 -10.748 593 HE2 PHE 92 1HE PHE 92 -9.160 -6.875 -11.502 594 HZ PHE 92 HZ PHE 92 -6.923 -5.969 -11.930 595 H SER 93 H SER 93 -9.434 -11.300 -6.696 596 HA SER 93 HA SER 93 -7.958 -12.723 -4.623 597 HB3 SER 93 2HB SER 93 -10.207 -13.599 -3.916 598 HG SER 93 HG SER 93 -9.962 -10.716 -4.087 599 H GLU 94 H GLU 94 -7.013 -14.577 -5.388 600 HA GLU 94 HA GLU 94 -8.007 -15.711 -7.815 601 HB3 GLU 94 2HB GLU 94 -5.967 -17.336 -6.570 602 HG3 GLU 94 2HG GLU 94 -4.654 -16.005 -8.516 603 H ASN 95 H ASN 95 -8.436 -18.115 -8.002 604 HA ASN 95 HA ASN 95 -8.777 -19.812 -5.962 605 HB3 ASN 95 2HB ASN 95 -11.574 -19.338 -6.136 606 HD21 ASN 95 1HD2 ASN 95 -12.472 -18.759 -4.009 607 HD22 ASN 95 2HD2 ASN 95 -11.580 -19.162 -2.580 608 H MET 96 H MET 96 -9.927 -21.788 -6.719 609 HA MET 96 HA MET 96 -9.706 -22.363 -9.303 610 HB3 MET 96 2HB MET 96 -10.234 -24.010 -7.513 611 HG3 MET 96 2HG MET 96 -13.083 -22.911 -7.665 612 HE1 MET 96 3HE MET 96 -11.517 -25.868 -4.515 613 HE2 MET 96 1HE MET 96 -10.411 -25.059 -5.650 614 HE3 MET 96 2HE MET 96 -11.356 -24.096 -4.490 615 H CYS 97 H CYS 97 -12.301 -20.485 -7.797 616 HA CYS 97 HA CYS 97 -14.230 -20.791 -9.777 617 HB3 CYS 97 2HB CYS 97 -14.164 -18.142 -8.497 618 HG CYS 97 HG CYS 97 -16.541 -18.915 -7.460 619 H GLY 98 H GLY 98 -12.165 -17.853 -9.157 620 HA2 GLY 98 1HA GLY 98 -10.814 -17.571 -11.459 621 HA3 GLY 98 2HA GLY 98 -12.421 -17.059 -11.934 622 H LEU 99 H LEU 99 -9.971 -15.413 -11.770 623 HA LEU 99 HA LEU 99 -9.771 -13.900 -9.496 624 HB3 LEU 99 2HB LEU 99 -9.184 -12.069 -11.334 625 HG LEU 99 HG LEU 99 -6.956 -12.862 -11.525 626 HD11 LEU 99 1HD1 LEU 99 -7.999 -12.320 -9.180 627 HD12 LEU 99 2HD1 LEU 99 -7.674 -14.041 -8.866 628 HD13 LEU 99 3HD1 LEU 99 -6.341 -12.950 -9.314 629 HD21 LEU 99 3HD2 LEU 99 -7.839 -15.611 -10.614 630 HD22 LEU 99 1HD2 LEU 99 -7.588 -15.156 -12.317 631 HD23 LEU 99 2HD2 LEU 99 -6.225 -15.107 -11.173 632 H SER 100 H SER 100 -10.747 -11.991 -8.710 633 HA SER 100 HA SER 100 -13.494 -11.834 -9.311 634 HB3 SER 100 2HB SER 100 -12.955 -11.382 -7.061 635 HG SER 100 HG SER 100 -10.827 -9.821 -8.175 636 H GLU 101 H GLU 101 -14.605 -10.364 -10.614 637 HA GLU 101 HA GLU 101 -13.223 -9.087 -12.614 638 HB3 GLU 101 2HB GLU 101 -15.710 -7.745 -12.337 639 HG3 GLU 101 2HG GLU 101 -15.862 -10.270 -13.822 640 H ASP 102 H ASP 102 -14.468 -7.876 -9.462 641 HA ASP 102 HA ASP 102 -13.407 -5.265 -10.112 642 HB3 ASP 102 2HB ASP 102 -14.768 -4.421 -8.397 643 H ALA 103 H ALA 103 -11.659 -4.343 -8.872 644 HA ALA 103 HA ALA 103 -10.492 -6.103 -6.833 645 HB1 ALA 103 3HB ALA 103 -9.103 -4.714 -9.155 646 HB2 ALA 103 1HB ALA 103 -8.244 -5.413 -7.762 647 HB3 ALA 103 2HB ALA 103 -9.196 -6.462 -8.839 648 H THR 104 H THR 104 -9.375 -4.990 -5.129 649 HA THR 104 HA THR 104 -10.408 -2.321 -4.715 650 HB THR 104 HB THR 104 -8.776 -4.288 -3.029 651 HG1 THR 104 1HG THR 104 -10.898 -4.587 -2.139 652 HG21 THR 104 3HG2 THR 104 -9.364 -1.441 -2.616 653 HG22 THR 104 1HG2 THR 104 -10.190 -2.444 -1.400 654 HG23 THR 104 2HG2 THR 104 -8.424 -2.547 -1.587 655 H MET 105 H MET 105 -9.429 -0.795 -5.959 656 HA MET 105 HA MET 105 -6.597 -0.918 -6.306 657 HB3 MET 105 2HB MET 105 -8.248 1.517 -7.020 658 HG3 MET 105 2HG MET 105 -6.016 -0.118 -8.263 659 HE1 MET 105 3HE MET 105 -7.595 3.346 -10.622 660 HE2 MET 105 1HE MET 105 -6.769 3.269 -9.047 661 HE3 MET 105 2HE MET 105 -5.863 2.944 -10.545 662 H THR 106 H THR 106 -5.112 0.866 -5.716 663 HA THR 106 HA THR 106 -5.509 1.681 -3.029 664 HB THR 106 HB THR 106 -3.295 2.848 -3.486 665 HG1 THR 106 1HG THR 106 -3.875 3.308 -5.759 666 HG21 THR 106 3HG2 THR 106 -2.555 0.719 -3.010 667 HG22 THR 106 1HG2 THR 106 -3.848 -0.032 -3.978 668 HG23 THR 106 2HG2 THR 106 -2.367 0.555 -4.773 669 H LYS 107 H LYS 107 -6.493 3.405 -2.181 670 HA LYS 107 HA LYS 107 -8.123 5.054 -3.527 671 HB3 LYS 107 2HB LYS 107 -6.946 6.588 -1.416 672 HG3 LYS 107 2HG LYS 107 -9.181 5.298 -0.385 673 HD3 LYS 107 2HD LYS 107 -9.103 7.681 -2.296 674 HE3 LYS 107 2HE LYS 107 -11.286 6.380 -0.804 675 HZ1 LYS 107 3HZ LYS 107 -12.066 8.190 0.311 676 HZ2 LYS 107 1HZ LYS 107 -10.467 8.344 0.610 677 HZ3 LYS 107 2HZ LYS 107 -11.178 9.274 -0.529 678 H GLU 108 H GLU 108 -4.586 5.218 -3.369 679 HA GLU 108 HA GLU 108 -4.767 7.468 -5.207 680 HB3 GLU 108 2HB GLU 108 -2.474 8.160 -4.131 681 HG3 GLU 108 2HG GLU 108 -5.222 8.512 -2.881 682 H SER 109 H SER 109 -2.165 7.723 -6.030 683 HA SER 109 HA SER 109 -1.614 5.041 -7.031 684 HB3 SER 109 2HB SER 109 -2.187 6.385 -8.897 685 HG SER 109 HG SER 109 -0.736 8.428 -7.508 686 H ALA 110 H ALA 110 0.819 4.737 -7.646 687 HA ALA 110 HA ALA 110 2.387 5.783 -5.409 688 HB1 ALA 110 3HB ALA 110 3.803 3.783 -6.842 689 HB2 ALA 110 1HB ALA 110 3.010 3.631 -5.256 690 HB3 ALA 110 2HB ALA 110 2.115 3.229 -6.740 691 H VAL 111 H VAL 111 3.725 7.469 -5.793 692 HA VAL 111 HA VAL 111 4.350 8.112 -8.548 693 HB VAL 111 HB VAL 111 4.696 9.509 -5.899 694 HG11 VAL 111 1HG1 VAL 111 6.087 9.990 -8.455 695 HG12 VAL 111 2HG1 VAL 111 5.283 11.423 -7.771 696 HG13 VAL 111 3HG1 VAL 111 6.486 10.533 -6.808 697 HG21 VAL 111 3HG2 VAL 111 2.671 10.322 -6.351 698 HG22 VAL 111 1HG2 VAL 111 3.312 11.064 -7.835 699 HG23 VAL 111 2HG2 VAL 111 2.629 9.422 -7.886 700 H ILE 112 H ILE 112 6.241 7.604 -9.535 701 HA ILE 112 HA ILE 112 8.262 6.312 -7.895 702 HB ILE 112 HB ILE 112 8.019 6.569 -10.895 703 HG13 ILE 112 2HG1 ILE 112 7.315 4.147 -10.730 704 HG21 ILE 112 1HG2 ILE 112 9.863 5.264 -11.133 705 HG22 ILE 112 2HG2 ILE 112 10.299 6.062 -9.602 706 HG23 ILE 112 3HG2 ILE 112 9.611 4.420 -9.587 707 HD11 ILE 112 3HD1 ILE 112 6.829 3.158 -8.717 708 HD12 ILE 112 1HD1 ILE 112 8.000 4.339 -8.084 709 HD13 ILE 112 2HD1 ILE 112 6.256 4.680 -7.994 710 H ALA 113 H ALA 113 10.162 7.248 -7.313 711 HA ALA 113 HA ALA 113 11.369 9.279 -8.875 712 HB1 ALA 113 3HB ALA 113 10.985 10.655 -6.415 713 HB2 ALA 113 1HB ALA 113 10.381 11.107 -8.026 714 HB3 ALA 113 2HB ALA 113 9.380 10.102 -6.950 715 H ARG 114 H ARG 114 13.517 9.752 -8.102 716 HA ARG 114 HA ARG 114 14.510 7.626 -6.515 717 HB3 ARG 114 2HB ARG 114 16.609 9.467 -6.891 718 HG3 ARG 114 2HG ARG 114 16.482 7.864 -9.232 719 HD3 ARG 114 2HD ARG 114 17.658 6.724 -6.712 720 HE ARG 114 HE ARG 114 18.765 5.738 -8.519 721 HH11 ARG 114 2HH2 ARG 114 18.420 9.185 -9.138 722 HH12 ARG 114 1HH2 ARG 114 19.385 9.153 -10.576 723 HH21 ARG 114 2HH1 ARG 114 20.038 5.696 -10.416 724 HH22 ARG 114 1HH1 ARG 114 20.312 7.155 -11.308 725 H ASP 115 H ASP 115 12.922 8.644 -4.703 726 HA ASP 115 HA ASP 115 14.707 10.093 -2.958 727 HB3 ASP 115 2HB ASP 115 12.091 11.131 -2.459 728 H GLY 116 H GLY 116 11.256 8.929 -3.265 729 HA2 GLY 116 1HA GLY 116 10.059 7.458 -2.055 730 HA3 GLY 116 2HA GLY 116 11.561 6.783 -1.457 731 H LYS 117 H LYS 117 8.764 7.883 -0.313 732 HA LYS 117 HA LYS 117 9.344 9.957 1.428 733 HB3 LYS 117 2HB LYS 117 7.442 8.164 2.609 734 HG3 LYS 117 2HG LYS 117 5.867 9.984 1.859 735 HD3 LYS 117 2HD LYS 117 8.516 10.818 3.120 736 HE3 LYS 117 2HE LYS 117 7.054 12.719 2.049 737 HZ1 LYS 117 3HZ LYS 117 4.967 12.631 2.722 738 HZ2 LYS 117 1HZ LYS 117 5.262 11.523 3.886 739 HZ3 LYS 117 2HZ LYS 117 5.468 13.113 4.200 740 H ILE 118 H ILE 118 8.719 9.015 4.031 741 HA ILE 118 HA ILE 118 10.860 7.125 4.623 742 HB ILE 118 HB ILE 118 10.627 9.729 6.112 743 HG13 ILE 118 2HG1 ILE 118 12.010 9.148 3.536 744 HG21 ILE 118 1HG2 ILE 118 12.480 9.088 7.273 745 HG22 ILE 118 2HG2 ILE 118 11.778 7.486 6.946 746 HG23 ILE 118 3HG2 ILE 118 13.116 8.094 5.941 747 HD11 ILE 118 3HD1 ILE 118 11.595 11.921 4.438 748 HD12 ILE 118 1HD1 ILE 118 11.033 11.117 2.952 749 HD13 ILE 118 2HD1 ILE 118 10.095 10.965 4.457 750 H TYR 119 H TYR 119 10.179 8.458 7.511 751 HA TYR 119 HA TYR 119 7.571 7.225 7.876 752 HB3 TYR 119 2HB TYR 119 8.475 5.683 9.550 753 HD1 TYR 119 2HD TYR 119 7.916 4.464 7.320 754 HD2 TYR 119 1HD TYR 119 11.839 5.813 8.368 755 HE1 TYR 119 2HE TYR 119 8.929 2.841 5.646 756 HE2 TYR 119 1HE TYR 119 12.838 4.185 6.690 757 HH TYR 119 HH TYR 119 12.384 2.332 5.493 758 H LYS 120 H LYS 120 8.599 7.158 10.883 759 HA LYS 120 HA LYS 120 8.238 8.463 12.636 760 HB3 LYS 120 2HB LYS 120 9.403 10.932 11.805 761 HG3 LYS 120 2HG LYS 120 11.386 9.814 13.132 762 HD3 LYS 120 2HD LYS 120 9.071 11.176 13.924 763 HE3 LYS 120 2HE LYS 120 9.371 9.290 16.175 764 HZ1 LYS 120 3HZ LYS 120 7.002 10.182 14.687 765 HZ2 LYS 120 1HZ LYS 120 7.041 9.579 16.204 766 HZ3 LYS 120 2HZ LYS 120 7.691 11.044 15.892 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -16.356 -34.058 28.262 2 HA2 GLY 1 1HA GLY 1 -19.188 -34.603 28.872 3 HA3 GLY 1 2HA GLY 1 -18.272 -33.485 29.863 4 H SER 2 H SER 2 -18.192 -31.354 29.254 5 HA SER 2 HA SER 2 -18.415 -29.547 28.075 6 HB3 SER 2 2HB SER 2 -17.916 -31.373 25.684 7 HG SER 2 HG SER 2 -17.298 -28.610 25.591 8 H SER 3 H SER 3 -20.301 -28.415 27.703 9 HA SER 3 HA SER 3 -22.239 -29.445 25.911 10 HB3 SER 3 2HB SER 3 -23.756 -28.977 28.312 11 HG SER 3 HG SER 3 -24.173 -30.432 26.382 12 H GLY 4 H GLY 4 -22.706 -27.581 24.806 13 HA2 GLY 4 1HA GLY 4 -23.783 -25.310 26.158 14 HA3 GLY 4 2HA GLY 4 -22.139 -25.015 25.624 15 H SER 5 H SER 5 -22.822 -23.439 24.056 16 HA SER 5 HA SER 5 -24.319 -24.614 21.847 17 HB3 SER 5 2HB SER 5 -24.074 -21.715 21.695 18 HG SER 5 HG SER 5 -26.545 -22.858 22.402 19 H SER 6 H SER 6 -23.574 -24.113 19.642 20 HA SER 6 HA SER 6 -20.977 -22.884 19.469 21 HB3 SER 6 2HB SER 6 -21.412 -25.646 18.268 22 HG SER 6 HG SER 6 -19.078 -25.600 18.193 23 H GLY 7 H GLY 7 -20.543 -22.041 17.340 24 HA2 GLY 7 1HA GLY 7 -22.830 -21.384 15.820 25 HA3 GLY 7 2HA GLY 7 -21.155 -21.089 15.396 26 H ALA 8 H ALA 8 -20.408 -22.111 13.592 27 HA ALA 8 HA ALA 8 -20.376 -23.465 11.835 28 HB1 ALA 8 3HB ALA 8 -19.385 -25.273 12.737 29 HB2 ALA 8 1HB ALA 8 -20.298 -25.085 14.254 30 HB3 ALA 8 2HB ALA 8 -21.003 -25.997 12.896 31 H SER 9 H SER 9 -22.520 -22.138 11.419 32 HA SER 9 HA SER 9 -24.797 -23.920 11.455 33 HB3 SER 9 2HB SER 9 -24.821 -21.070 10.424 34 HG SER 9 HG SER 9 -26.753 -22.545 10.383 35 H ILE 10 H ILE 10 -25.349 -25.092 9.652 36 HA ILE 10 HA ILE 10 -24.277 -24.133 7.089 37 HB ILE 10 HB ILE 10 -23.194 -26.177 7.973 38 HG13 ILE 10 2HG1 ILE 10 -23.943 -25.570 5.414 39 HG21 ILE 10 1HG2 ILE 10 -25.568 -26.944 8.917 40 HG22 ILE 10 2HG2 ILE 10 -25.611 -27.805 7.361 41 HG23 ILE 10 3HG2 ILE 10 -24.279 -28.101 8.505 42 HD11 ILE 10 3HD1 ILE 10 -21.764 -26.312 5.551 43 HD12 ILE 10 1HD1 ILE 10 -22.165 -27.590 6.724 44 HD13 ILE 10 2HD1 ILE 10 -22.499 -27.835 4.993 45 H ASP 11 H ASP 11 -25.838 -23.339 5.795 46 HA ASP 11 HA ASP 11 -28.319 -24.806 5.700 47 HB3 ASP 11 2HB ASP 11 -29.061 -22.064 5.512 48 H ILE 12 H ILE 12 -28.177 -25.357 3.499 49 HA ILE 12 HA ILE 12 -27.626 -25.164 1.334 50 HB ILE 12 HB ILE 12 -29.536 -22.914 1.899 51 HG13 ILE 12 2HG1 ILE 12 -30.232 -25.305 2.217 52 HG21 ILE 12 1HG2 ILE 12 -29.846 -23.324 -0.765 53 HG22 ILE 12 2HG2 ILE 12 -28.888 -22.003 -0.052 54 HG23 ILE 12 3HG2 ILE 12 -28.080 -23.489 -0.606 55 HD11 ILE 12 3HD1 ILE 12 -31.689 -23.252 1.294 56 HD12 ILE 12 1HD1 ILE 12 -31.740 -24.262 -0.171 57 HD13 ILE 12 2HD1 ILE 12 -32.360 -24.899 1.371 58 H GLN 13 H GLN 13 -25.359 -24.857 1.387 59 HA GLN 13 HA GLN 13 -24.634 -22.127 0.723 60 HB3 GLN 13 2HB GLN 13 -22.404 -23.149 2.119 61 HG3 GLN 13 2HG GLN 13 -24.586 -21.132 2.749 62 HE21 GLN 13 1HE2 GLN 13 -24.393 -19.831 4.553 63 HE22 GLN 13 2HE2 GLN 13 -23.537 -20.305 5.982 64 H ILE 14 H ILE 14 -23.885 -22.243 -1.348 65 HA ILE 14 HA ILE 14 -22.201 -24.561 -2.001 66 HB ILE 14 HB ILE 14 -23.767 -23.135 -4.100 67 HG13 ILE 14 2HG1 ILE 14 -25.451 -23.515 -2.391 68 HG21 ILE 14 1HG2 ILE 14 -23.153 -24.853 -5.381 69 HG22 ILE 14 2HG2 ILE 14 -22.007 -25.264 -4.082 70 HG23 ILE 14 3HG2 ILE 14 -23.602 -26.052 -4.144 71 HD11 ILE 14 3HD1 ILE 14 -25.484 -25.561 -4.654 72 HD12 ILE 14 1HD1 ILE 14 -26.889 -25.194 -3.626 73 HD13 ILE 14 2HD1 ILE 14 -26.198 -23.931 -4.673 74 H ILE 15 H ILE 15 -21.733 -23.229 -4.698 75 HA ILE 15 HA ILE 15 -19.415 -21.816 -3.911 76 HB ILE 15 HB ILE 15 -19.370 -21.320 -6.432 77 HG13 ILE 15 2HG1 ILE 15 -22.003 -22.140 -6.319 78 HG21 ILE 15 1HG2 ILE 15 -18.620 -23.622 -6.916 79 HG22 ILE 15 2HG2 ILE 15 -17.977 -22.997 -5.379 80 HG23 ILE 15 3HG2 ILE 15 -19.325 -24.159 -5.373 81 HD11 ILE 15 3HD1 ILE 15 -20.418 -22.520 -8.857 82 HD12 ILE 15 1HD1 ILE 15 -21.984 -21.711 -8.612 83 HD13 ILE 15 2HD1 ILE 15 -20.478 -20.901 -8.121 84 H ASP 16 H ASP 16 -19.002 -19.632 -3.747 85 HA ASP 16 HA ASP 16 -21.132 -17.857 -4.574 86 HB3 ASP 16 2HB ASP 16 -21.011 -16.620 -2.425 87 H ARG 17 H ARG 17 -18.167 -18.741 -5.188 88 HA ARG 17 HA ARG 17 -16.301 -17.853 -5.813 89 HB3 ARG 17 2HB ARG 17 -16.502 -15.192 -6.312 90 HG3 ARG 17 2HG ARG 17 -18.148 -17.178 -7.936 91 HD3 ARG 17 2HD ARG 17 -16.237 -15.197 -9.131 92 HE ARG 17 HE ARG 17 -17.569 -15.892 -10.906 93 HH11 ARG 17 2HH2 ARG 17 -19.556 -15.812 -8.003 94 HH12 ARG 17 1HH2 ARG 17 -21.000 -16.304 -8.824 95 HH21 ARG 17 2HH1 ARG 17 -19.473 -16.542 -11.989 96 HH22 ARG 17 1HH1 ARG 17 -20.953 -16.722 -11.106 97 HA PRO 18 HA PRO 18 -14.319 -15.965 -2.418 98 HB3 PRO 18 2HB PRO 18 -12.220 -16.532 -3.177 99 HG3 PRO 18 2HG PRO 18 -12.069 -16.830 -5.458 100 HD3 PRO 18 2HD PRO 18 -14.257 -17.341 -5.949 101 H GLY 19 H GLY 19 -12.777 -13.695 -2.040 102 HA2 GLY 19 1HA GLY 19 -14.637 -11.543 -2.817 103 HA3 GLY 19 2HA GLY 19 -14.214 -11.784 -1.134 104 HA PRO 20 HA PRO 20 -10.946 -9.347 -3.417 105 HB3 PRO 20 2HB PRO 20 -12.026 -7.699 -4.610 106 HG3 PRO 20 2HG PRO 20 -14.283 -7.515 -4.172 107 HD3 PRO 20 2HD PRO 20 -14.725 -9.640 -3.413 108 HA PRO 21 HA PRO 21 -8.977 -8.220 0.172 109 HB3 PRO 21 2HB PRO 21 -6.930 -7.917 -0.838 110 HG3 PRO 21 2HG PRO 21 -7.032 -7.361 -3.074 111 HD3 PRO 21 2HD PRO 21 -9.091 -8.229 -3.617 112 H GLN 22 H GLN 22 -9.516 -7.289 2.054 113 HA GLN 22 HA GLN 22 -11.515 -5.540 2.198 114 HB3 GLN 22 2HB GLN 22 -10.082 -4.766 4.400 115 HG3 GLN 22 2HG GLN 22 -10.995 -7.583 4.575 116 HE21 GLN 22 1HE2 GLN 22 -9.727 -5.535 6.168 117 HE22 GLN 22 2HE2 GLN 22 -10.784 -5.151 7.485 118 H ILE 23 H ILE 23 -7.996 -4.708 1.987 119 HA ILE 23 HA ILE 23 -8.692 -2.221 0.729 120 HB ILE 23 HB ILE 23 -8.782 -1.952 3.314 121 HG13 ILE 23 2HG1 ILE 23 -8.674 0.255 2.908 122 HG21 ILE 23 1HG2 ILE 23 -6.684 -3.058 3.836 123 HG22 ILE 23 2HG2 ILE 23 -5.790 -1.891 2.832 124 HG23 ILE 23 3HG2 ILE 23 -6.615 -1.344 4.312 125 HD11 ILE 23 3HD1 ILE 23 -6.286 0.505 3.209 126 HD12 ILE 23 1HD1 ILE 23 -5.951 -0.285 1.649 127 HD13 ILE 23 2HD1 ILE 23 -6.709 1.325 1.687 128 H VAL 24 H VAL 24 -6.635 -1.059 0.006 129 HA VAL 24 HA VAL 24 -4.360 -2.879 -0.138 130 HB VAL 24 HB VAL 24 -5.684 -1.606 -2.541 131 HG11 VAL 24 1HG1 VAL 24 -3.317 -1.666 -2.893 132 HG12 VAL 24 2HG1 VAL 24 -3.200 -3.323 -2.253 133 HG13 VAL 24 3HG1 VAL 24 -4.021 -3.024 -3.805 134 HG21 VAL 24 3HG2 VAL 24 -5.991 -4.060 -3.208 135 HG22 VAL 24 1HG2 VAL 24 -5.670 -4.447 -1.501 136 HG23 VAL 24 2HG2 VAL 24 -7.061 -3.426 -1.935 137 H LYS 25 H LYS 25 -2.619 -1.761 0.553 138 HA LYS 25 HA LYS 25 -2.521 1.088 -0.141 139 HB3 LYS 25 2HB LYS 25 -3.141 1.053 2.157 140 HG3 LYS 25 2HG LYS 25 -1.190 -1.230 2.280 141 HD3 LYS 25 2HD LYS 25 -0.615 0.884 3.911 142 HE3 LYS 25 2HE LYS 25 -1.726 -0.373 6.142 143 HZ1 LYS 25 3HZ LYS 25 -1.560 2.061 5.313 144 HZ2 LYS 25 1HZ LYS 25 -3.126 1.845 4.901 145 HZ3 LYS 25 2HZ LYS 25 -2.656 1.653 6.454 146 H ILE 26 H ILE 26 -0.121 1.901 0.232 147 HA ILE 26 HA ILE 26 1.622 -0.190 -0.875 148 HB ILE 26 HB ILE 26 1.492 2.764 -1.479 149 HG13 ILE 26 2HG1 ILE 26 0.247 0.478 -2.655 150 HG21 ILE 26 1HG2 ILE 26 3.829 1.452 -1.281 151 HG22 ILE 26 2HG2 ILE 26 3.387 1.016 -2.949 152 HG23 ILE 26 3HG2 ILE 26 3.518 2.728 -2.483 153 HD11 ILE 26 3HD1 ILE 26 0.438 3.161 -4.017 154 HD12 ILE 26 1HD1 ILE 26 -0.978 2.108 -3.789 155 HD13 ILE 26 2HD1 ILE 26 -0.355 3.067 -2.425 156 H GLU 27 H GLU 27 2.868 -0.914 0.781 157 HA GLU 27 HA GLU 27 3.344 0.248 3.118 158 HB3 GLU 27 2HB GLU 27 5.812 -1.001 2.155 159 HG3 GLU 27 2HG GLU 27 4.518 -2.832 3.759 160 H ASP 28 H ASP 28 5.243 0.787 0.084 161 HA ASP 28 HA ASP 28 5.731 3.422 0.646 162 HB3 ASP 28 2HB ASP 28 8.383 2.086 0.919 163 H VAL 29 H VAL 29 7.909 4.098 -0.788 164 HA VAL 29 HA VAL 29 8.292 2.239 -2.977 165 HB VAL 29 HB VAL 29 6.378 3.304 -3.805 166 HG11 VAL 29 1HG1 VAL 29 5.888 5.644 -3.705 167 HG12 VAL 29 2HG1 VAL 29 6.381 5.137 -2.071 168 HG13 VAL 29 3HG1 VAL 29 7.521 6.026 -3.110 169 HG21 VAL 29 3HG2 VAL 29 7.165 4.560 -5.732 170 HG22 VAL 29 1HG2 VAL 29 8.719 4.882 -4.925 171 HG23 VAL 29 2HG2 VAL 29 8.285 3.220 -5.390 172 H TRP 30 H TRP 30 10.430 2.213 -3.439 173 HA TRP 30 HA TRP 30 11.931 4.675 -2.854 174 HB3 TRP 30 2HB TRP 30 12.480 3.138 -1.134 175 HD1 TRP 30 HD TRP 30 14.645 0.916 -3.255 176 HE1 TRP 30 1HE TRP 30 13.895 -1.613 -3.174 177 HE3 TRP 30 3HE TRP 30 10.175 1.770 -0.988 178 HZ2 TRP 30 2HZ TRP 30 11.566 -2.942 -2.193 179 HZ3 TRP 30 3HZ TRP 30 8.723 -0.198 -0.504 180 HH2 TRP 30 HH TRP 30 9.356 -2.490 -1.069 181 H GLY 31 H GLY 31 13.132 5.429 -4.577 182 HA2 GLY 31 1HA GLY 31 13.668 5.623 -6.772 183 HA3 GLY 31 2HA GLY 31 14.533 4.131 -6.454 184 H GLU 32 H GLU 32 14.099 2.500 -7.863 185 HA GLU 32 HA GLU 32 11.566 2.639 -9.264 186 HB3 GLU 32 2HB GLU 32 12.594 1.206 -10.938 187 HG3 GLU 32 2HG GLU 32 14.521 3.331 -9.894 188 H ASN 33 H ASN 33 11.376 1.840 -6.562 189 HA ASN 33 HA ASN 33 10.577 -0.916 -6.970 190 HB3 ASN 33 2HB ASN 33 11.401 -1.485 -4.657 191 HD21 ASN 33 1HD2 ASN 33 13.751 0.795 -5.936 192 HD22 ASN 33 2HD2 ASN 33 14.845 -0.353 -6.633 193 H VAL 34 H VAL 34 8.515 -1.307 -6.049 194 HA VAL 34 HA VAL 34 7.479 0.803 -4.285 195 HB VAL 34 HB VAL 34 6.411 -0.374 -6.791 196 HG11 VAL 34 1HG1 VAL 34 4.754 -1.279 -5.343 197 HG12 VAL 34 2HG1 VAL 34 4.686 0.210 -4.369 198 HG13 VAL 34 3HG1 VAL 34 4.057 0.205 -6.034 199 HG21 VAL 34 3HG2 VAL 34 5.897 2.297 -5.446 200 HG22 VAL 34 1HG2 VAL 34 7.247 1.979 -6.561 201 HG23 VAL 34 2HG2 VAL 34 5.568 1.854 -7.138 202 H ALA 35 H ALA 35 6.069 0.105 -2.595 203 HA ALA 35 HA ALA 35 6.173 -2.802 -2.157 204 HB1 ALA 35 3HB ALA 35 5.898 -1.819 0.338 205 HB2 ALA 35 1HB ALA 35 7.487 -2.061 -0.427 206 HB3 ALA 35 2HB ALA 35 6.744 -0.443 -0.410 207 H LEU 36 H LEU 36 4.210 -3.757 -2.295 208 HA LEU 36 HA LEU 36 1.870 -2.038 -1.947 209 HB3 LEU 36 2HB LEU 36 0.752 -4.133 -2.976 210 HG LEU 36 HG LEU 36 2.641 -2.428 -4.619 211 HD11 LEU 36 1HD1 LEU 36 2.236 -4.439 -5.864 212 HD12 LEU 36 2HD1 LEU 36 0.490 -4.359 -5.524 213 HD13 LEU 36 3HD1 LEU 36 1.252 -3.132 -6.566 214 HD21 LEU 36 3HD2 LEU 36 0.254 -1.504 -5.292 215 HD22 LEU 36 1HD2 LEU 36 -0.178 -2.124 -3.680 216 HD23 LEU 36 2HD2 LEU 36 1.116 -0.912 -3.850 217 H THR 37 H THR 37 0.111 -2.695 -0.578 218 HA THR 37 HA THR 37 0.566 -4.965 1.167 219 HB THR 37 HB THR 37 0.139 -3.205 3.137 220 HG1 THR 37 1HG THR 37 1.237 -1.177 2.424 221 HG21 THR 37 3HG2 THR 37 2.298 -4.558 2.738 222 HG22 THR 37 1HG2 THR 37 2.867 -3.187 1.755 223 HG23 THR 37 2HG2 THR 37 2.531 -2.960 3.488 224 H TRP 38 H TRP 38 -1.287 -6.042 0.873 225 HA TRP 38 HA TRP 38 -3.749 -4.437 1.021 226 HB3 TRP 38 2HB TRP 38 -3.477 -5.255 -1.217 227 HD1 TRP 38 HD TRP 38 -4.435 -8.760 0.027 228 HE1 TRP 38 1HE TRP 38 -2.784 -10.598 -0.901 229 HE3 TRP 38 3HE TRP 38 -1.086 -5.495 -1.967 230 HZ2 TRP 38 2HZ TRP 38 -0.318 -10.483 -2.332 231 HZ3 TRP 38 3HZ TRP 38 0.916 -6.440 -3.113 232 HH2 TRP 38 HH TRP 38 1.327 -8.842 -3.312 233 H THR 39 H THR 39 -5.522 -5.461 2.198 234 HA THR 39 HA THR 39 -4.515 -7.249 4.272 235 HB THR 39 HB THR 39 -6.689 -6.563 5.374 236 HG1 THR 39 1HG THR 39 -7.530 -6.225 3.012 237 HG21 THR 39 3HG2 THR 39 -5.074 -4.242 4.188 238 HG22 THR 39 1HG2 THR 39 -6.220 -4.102 5.543 239 HG23 THR 39 2HG2 THR 39 -4.732 -5.061 5.731 240 HA PRO 40 HA PRO 40 -6.604 -10.715 2.852 241 HB3 PRO 40 2HB PRO 40 -5.686 -12.053 4.484 242 HG3 PRO 40 2HG PRO 40 -5.030 -10.935 6.391 243 HD3 PRO 40 2HD PRO 40 -4.711 -8.824 5.537 244 HA PRO 41 HA PRO 41 -10.806 -10.175 2.630 245 HB3 PRO 41 2HB PRO 41 -10.992 -11.445 0.719 246 HG3 PRO 41 2HG PRO 41 -9.296 -12.978 0.411 247 HD3 PRO 41 2HD PRO 41 -7.628 -11.993 1.648 248 H LYS 42 H LYS 42 -12.634 -10.071 3.856 249 HA LYS 42 HA LYS 42 -12.373 -11.523 6.343 250 HB3 LYS 42 2HB LYS 42 -14.689 -10.069 6.527 251 HG3 LYS 42 2HG LYS 42 -11.908 -8.883 6.906 252 HD3 LYS 42 2HD LYS 42 -14.217 -7.650 7.397 253 HE3 LYS 42 2HE LYS 42 -14.808 -9.827 8.860 254 HZ1 LYS 42 3HZ LYS 42 -14.202 -8.523 11.179 255 HZ2 LYS 42 1HZ LYS 42 -13.563 -9.932 10.657 256 HZ3 LYS 42 2HZ LYS 42 -12.805 -8.523 10.332 257 H ASP 43 H ASP 43 -13.789 -11.976 3.252 258 HA ASP 43 HA ASP 43 -15.844 -13.679 4.394 259 HB3 ASP 43 2HB ASP 43 -17.055 -12.716 2.728 260 H ASP 44 H ASP 44 -16.193 -15.619 2.464 261 HA ASP 44 HA ASP 44 -13.643 -16.600 1.621 262 HB3 ASP 44 2HB ASP 44 -13.583 -17.567 3.809 263 H GLY 45 H GLY 45 -17.155 -17.296 2.255 264 HA2 GLY 45 1HA GLY 45 -18.786 -17.800 0.741 265 HA3 GLY 45 2HA GLY 45 -17.595 -17.888 -0.540 266 H ASN 46 H ASN 46 -16.062 -19.837 -0.501 267 HA ASN 46 HA ASN 46 -16.801 -22.055 1.042 268 HB3 ASN 46 2HB ASN 46 -17.268 -22.789 -1.801 269 HD21 ASN 46 1HD2 ASN 46 -20.204 -22.742 -0.626 270 HD22 ASN 46 2HD2 ASN 46 -20.289 -24.212 0.287 271 H ALA 47 H ALA 47 -15.568 -20.995 -2.217 272 HA ALA 47 HA ALA 47 -13.523 -22.977 -2.270 273 HB1 ALA 47 3HB ALA 47 -13.931 -22.413 -4.425 274 HB2 ALA 47 1HB ALA 47 -14.590 -20.820 -3.980 275 HB3 ALA 47 2HB ALA 47 -12.830 -21.047 -4.121 276 H ALA 48 H ALA 48 -11.855 -22.933 -0.842 277 HA ALA 48 HA ALA 48 -11.091 -20.723 0.627 278 HB1 ALA 48 3HB ALA 48 -9.311 -23.044 -0.207 279 HB2 ALA 48 1HB ALA 48 -9.206 -22.070 1.279 280 HB3 ALA 48 2HB ALA 48 -10.580 -23.175 1.034 281 H ILE 49 H ILE 49 -10.190 -18.829 0.008 282 HA ILE 49 HA ILE 49 -9.484 -18.116 -2.476 283 HB ILE 49 HB ILE 49 -8.232 -17.210 0.117 284 HG13 ILE 49 2HG1 ILE 49 -10.831 -16.705 -1.209 285 HG21 ILE 49 1HG2 ILE 49 -7.456 -15.272 -0.968 286 HG22 ILE 49 2HG2 ILE 49 -6.972 -16.626 -2.020 287 HG23 ILE 49 3HG2 ILE 49 -8.380 -15.624 -2.448 288 HD11 ILE 49 3HD1 ILE 49 -9.849 -17.450 1.339 289 HD12 ILE 49 1HD1 ILE 49 -10.464 -15.792 1.538 290 HD13 ILE 49 2HD1 ILE 49 -11.535 -17.069 0.912 291 H THR 50 H THR 50 -8.116 -18.940 -3.954 292 HA THR 50 HA THR 50 -6.070 -20.757 -3.208 293 HB THR 50 HB THR 50 -6.961 -19.368 -5.773 294 HG1 THR 50 1HG THR 50 -8.067 -21.232 -4.558 295 HG21 THR 50 3HG2 THR 50 -4.997 -21.687 -5.678 296 HG22 THR 50 1HG2 THR 50 -5.371 -20.602 -7.038 297 HG23 THR 50 2HG2 THR 50 -4.392 -20.012 -5.673 298 H GLY 51 H GLY 51 -5.912 -17.430 -4.654 299 HA2 GLY 51 1HA GLY 51 -3.612 -16.828 -3.011 300 HA3 GLY 51 2HA GLY 51 -3.242 -17.036 -4.710 301 H TYR 52 H TYR 52 -2.755 -14.871 -5.203 302 HA TYR 52 HA TYR 52 -5.066 -13.173 -5.512 303 HB3 TYR 52 2HB TYR 52 -3.894 -11.330 -4.220 304 HD1 TYR 52 1HD TYR 52 -6.235 -11.994 -3.309 305 HD2 TYR 52 2HD TYR 52 -2.577 -13.732 -1.930 306 HE1 TYR 52 1HE TYR 52 -7.388 -12.741 -1.170 307 HE2 TYR 52 2HE TYR 52 -3.743 -14.475 0.204 308 HH TYR 52 HH TYR 52 -7.214 -13.885 0.660 309 H THR 53 H THR 53 -4.902 -12.355 -7.535 310 HA THR 53 HA THR 53 -2.250 -12.259 -8.750 311 HB THR 53 HB THR 53 -5.126 -12.137 -9.776 312 HG1 THR 53 1HG THR 53 -4.344 -14.177 -10.657 313 HG21 THR 53 3HG2 THR 53 -2.487 -11.943 -11.322 314 HG22 THR 53 1HG2 THR 53 -4.077 -12.247 -12.062 315 HG23 THR 53 2HG2 THR 53 -3.751 -10.691 -11.259 316 H ILE 54 H ILE 54 -1.110 -10.449 -9.103 317 HA ILE 54 HA ILE 54 -2.492 -7.938 -8.476 318 HB ILE 54 HB ILE 54 0.415 -8.723 -8.278 319 HG13 ILE 54 2HG1 ILE 54 -1.811 -8.836 -6.440 320 HG21 ILE 54 1HG2 ILE 54 0.856 -6.492 -7.444 321 HG22 ILE 54 2HG2 ILE 54 0.162 -6.402 -9.081 322 HG23 ILE 54 3HG2 ILE 54 -0.851 -6.039 -7.664 323 HD11 ILE 54 3HD1 ILE 54 0.293 -9.673 -5.006 324 HD12 ILE 54 1HD1 ILE 54 -0.383 -10.667 -6.319 325 HD13 ILE 54 2HD1 ILE 54 1.072 -9.683 -6.607 326 H GLN 55 H GLN 55 -2.024 -6.055 -9.815 327 HA GLN 55 HA GLN 55 -0.723 -6.624 -12.315 328 HB3 GLN 55 2HB GLN 55 -2.622 -5.925 -13.699 329 HG3 GLN 55 2HG GLN 55 -3.499 -8.007 -11.640 330 HE21 GLN 55 1HE2 GLN 55 -4.045 -9.829 -13.746 331 HE22 GLN 55 2HE2 GLN 55 -5.491 -9.330 -14.560 332 H LYS 56 H LYS 56 0.182 -4.757 -13.263 333 HA LYS 56 HA LYS 56 -0.326 -2.279 -11.764 334 HB3 LYS 56 2HB LYS 56 1.915 -3.374 -11.372 335 HG3 LYS 56 2HG LYS 56 2.505 -2.377 -14.192 336 HD3 LYS 56 2HD LYS 56 4.050 -3.743 -11.983 337 HE3 LYS 56 2HE LYS 56 4.439 -4.116 -14.979 338 HZ1 LYS 56 3HZ LYS 56 6.428 -3.336 -13.464 339 HZ2 LYS 56 1HZ LYS 56 6.487 -4.933 -13.126 340 HZ3 LYS 56 2HZ LYS 56 6.623 -4.420 -14.671 341 H ALA 57 H ALA 57 -0.372 -0.306 -12.980 342 HA ALA 57 HA ALA 57 -0.141 -0.443 -15.835 343 HB1 ALA 57 3HB ALA 57 -2.855 -0.024 -14.518 344 HB2 ALA 57 1HB ALA 57 -2.499 0.252 -16.240 345 HB3 ALA 57 2HB ALA 57 -2.382 -1.389 -15.558 346 H ASP 58 H ASP 58 0.293 1.597 -16.686 347 HA ASP 58 HA ASP 58 0.825 3.583 -14.725 348 HB3 ASP 58 2HB ASP 58 0.982 4.405 -17.563 349 H LYS 59 H LYS 59 0.193 6.017 -15.564 350 HA LYS 59 HA LYS 59 -2.698 5.952 -15.855 351 HB3 LYS 59 2HB LYS 59 -1.926 8.594 -15.524 352 HG3 LYS 59 2HG LYS 59 -2.255 7.555 -12.934 353 HD3 LYS 59 2HD LYS 59 -3.603 9.274 -14.618 354 HE3 LYS 59 2HE LYS 59 -6.040 8.151 -14.231 355 HZ1 LYS 59 3HZ LYS 59 -4.243 7.681 -16.506 356 HZ2 LYS 59 1HZ LYS 59 -5.855 7.425 -16.546 357 HZ3 LYS 59 2HZ LYS 59 -5.273 8.933 -16.321 358 H LYS 60 H LYS 60 -0.647 5.350 -18.065 359 HA LYS 60 HA LYS 60 -0.990 7.600 -19.834 360 HB3 LYS 60 2HB LYS 60 0.320 6.221 -21.405 361 HG3 LYS 60 2HG LYS 60 2.399 6.231 -20.138 362 HD3 LYS 60 2HD LYS 60 0.813 8.357 -18.687 363 HE3 LYS 60 2HE LYS 60 3.566 7.869 -19.391 364 HZ1 LYS 60 3HZ LYS 60 2.552 10.412 -20.434 365 HZ2 LYS 60 1HZ LYS 60 4.068 9.815 -20.550 366 HZ3 LYS 60 2HZ LYS 60 2.854 9.131 -21.400 367 H SER 61 H SER 61 -2.082 4.149 -19.621 368 HA SER 61 HA SER 61 -4.532 4.939 -20.853 369 HB3 SER 61 2HB SER 61 -3.836 2.652 -22.370 370 HG SER 61 HG SER 61 -3.400 5.032 -23.715 371 H MET 62 H MET 62 -3.680 3.937 -18.242 372 HA MET 62 HA MET 62 -3.866 2.215 -16.856 373 HB3 MET 62 2HB MET 62 -6.589 2.305 -18.268 374 HG3 MET 62 2HG MET 62 -5.639 0.821 -15.828 375 HE1 MET 62 3HE MET 62 -7.053 2.208 -13.087 376 HE2 MET 62 1HE MET 62 -5.684 2.284 -14.221 377 HE3 MET 62 2HE MET 62 -6.815 3.653 -14.098 378 H GLU 63 H GLU 63 -2.328 1.073 -18.673 379 HA GLU 63 HA GLU 63 -3.708 -1.230 -19.740 380 HB3 GLU 63 2HB GLU 63 -1.675 -1.629 -21.022 381 HG3 GLU 63 2HG GLU 63 -2.634 1.241 -20.854 382 H TRP 64 H TRP 64 -3.651 -3.226 -18.779 383 HA TRP 64 HA TRP 64 -1.791 -3.522 -16.525 384 HB3 TRP 64 2HB TRP 64 -3.348 -5.113 -15.609 385 HD1 TRP 64 HD TRP 64 -6.132 -3.034 -17.135 386 HE1 TRP 64 1HE TRP 64 -6.943 -1.116 -15.513 387 HE3 TRP 64 3HE TRP 64 -2.333 -3.534 -13.793 388 HZ2 TRP 64 2HZ TRP 64 -5.927 -0.048 -13.070 389 HZ3 TRP 64 3HZ TRP 64 -2.316 -2.015 -11.817 390 HH2 TRP 64 HH TRP 64 -4.031 -0.318 -11.428 391 H PHE 65 H PHE 65 -0.143 -4.981 -16.773 392 HA PHE 65 HA PHE 65 -0.432 -6.902 -18.977 393 HB3 PHE 65 2HB PHE 65 2.291 -6.610 -18.473 394 HD1 PHE 65 1HD PHE 65 0.042 -3.932 -19.793 395 HD2 PHE 65 2HD PHE 65 2.935 -6.912 -20.664 396 HE1 PHE 65 1HE PHE 65 0.040 -3.231 -22.203 397 HE2 PHE 65 2HE PHE 65 2.933 -6.211 -23.074 398 HZ PHE 65 HZ PHE 65 1.486 -4.378 -23.815 399 H THR 66 H THR 66 -1.097 -7.030 -15.962 400 HA THR 66 HA THR 66 -0.931 -8.512 -14.313 401 HB THR 66 HB THR 66 0.176 -10.131 -16.653 402 HG1 THR 66 1HG THR 66 -2.241 -10.196 -14.991 403 HG21 THR 66 3HG2 THR 66 1.035 -11.213 -14.595 404 HG22 THR 66 1HG2 THR 66 -0.563 -11.056 -13.826 405 HG23 THR 66 2HG2 THR 66 -0.350 -12.142 -15.219 406 H VAL 67 H VAL 67 0.330 -8.668 -12.537 407 HA VAL 67 HA VAL 67 3.171 -8.089 -12.978 408 HB VAL 67 HB VAL 67 1.314 -7.608 -10.645 409 HG11 VAL 67 1HG1 VAL 67 3.050 -7.571 -9.249 410 HG12 VAL 67 2HG1 VAL 67 4.123 -8.093 -10.570 411 HG13 VAL 67 3HG1 VAL 67 3.862 -6.358 -10.270 412 HG21 VAL 67 3HG2 VAL 67 1.543 -6.088 -12.831 413 HG22 VAL 67 1HG2 VAL 67 1.324 -5.390 -11.208 414 HG23 VAL 67 2HG2 VAL 67 2.948 -5.464 -11.933 415 H ILE 68 H ILE 68 0.827 -10.160 -11.173 416 HA ILE 68 HA ILE 68 2.629 -12.355 -11.321 417 HB ILE 68 HB ILE 68 3.145 -10.666 -9.227 418 HG13 ILE 68 2HG1 ILE 68 4.244 -12.885 -10.306 419 HG21 ILE 68 1HG2 ILE 68 1.081 -11.116 -8.083 420 HG22 ILE 68 2HG2 ILE 68 1.328 -12.872 -8.224 421 HG23 ILE 68 3HG2 ILE 68 2.408 -11.901 -7.196 422 HD11 ILE 68 3HD1 ILE 68 5.248 -10.947 -8.885 423 HD12 ILE 68 1HD1 ILE 68 4.984 -12.022 -7.491 424 HD13 ILE 68 2HD1 ILE 68 6.060 -12.530 -8.815 425 H GLU 69 H GLU 69 1.590 -14.357 -10.631 426 HA GLU 69 HA GLU 69 -1.247 -13.998 -10.092 427 HB3 GLU 69 2HB GLU 69 -1.776 -15.821 -11.693 428 HG3 GLU 69 2HG GLU 69 -0.174 -14.175 -13.526 429 H HIS 70 H HIS 70 -2.224 -15.687 -8.823 430 HA HIS 70 HA HIS 70 -2.222 -17.109 -7.146 431 HB3 HIS 70 2HB HIS 70 -1.677 -19.257 -7.696 432 HD1 HIS 70 1HD HIS 70 -3.543 -19.634 -9.356 433 HD2 HIS 70 2HD HIS 70 -0.262 -17.636 -11.042 434 HE1 HIS 70 1HE HIS 70 -4.004 -19.489 -11.862 435 H TYR 71 H TYR 71 -0.961 -15.024 -6.230 436 HA TYR 71 HA TYR 71 1.769 -15.469 -5.564 437 HB3 TYR 71 2HB TYR 71 -0.233 -13.687 -4.094 438 HD1 TYR 71 1HD TYR 71 2.974 -13.706 -6.054 439 HD2 TYR 71 2HD TYR 71 0.812 -12.152 -2.706 440 HE1 TYR 71 1HE TYR 71 5.034 -12.411 -5.315 441 HE2 TYR 71 2HE TYR 71 2.878 -10.862 -1.978 442 HH TYR 71 HH TYR 71 5.618 -11.405 -2.514 443 H HIS 72 H HIS 72 2.050 -14.827 -2.908 444 HA HIS 72 HA HIS 72 0.532 -16.905 -1.518 445 HB3 HIS 72 2HB HIS 72 3.527 -16.455 -1.367 446 HD1 HIS 72 1HD HIS 72 4.595 -18.740 -0.098 447 HD2 HIS 72 2HD HIS 72 0.751 -17.456 0.982 448 HE1 HIS 72 1HE HIS 72 4.106 -19.783 2.179 449 H ARG 73 H ARG 73 3.194 -14.631 -0.578 450 HA ARG 73 HA ARG 73 2.088 -13.977 1.810 451 HB3 ARG 73 2HB ARG 73 3.452 -11.651 1.090 452 HG3 ARG 73 2HG ARG 73 3.895 -13.291 3.009 453 HD3 ARG 73 2HD ARG 73 5.919 -14.589 1.176 454 HE ARG 73 HE ARG 73 4.568 -16.024 3.359 455 HH11 ARG 73 2HH2 ARG 73 7.264 -13.941 2.477 456 HH12 ARG 73 1HH2 ARG 73 8.225 -14.391 3.846 457 HH21 ARG 73 2HH1 ARG 73 5.835 -16.617 5.165 458 HH22 ARG 73 1HH1 ARG 73 7.406 -15.923 5.386 459 H THR 74 H THR 74 1.834 -11.197 2.075 460 HA THR 74 HA THR 74 -0.557 -10.661 0.441 461 HB THR 74 HB THR 74 -1.027 -9.130 2.534 462 HG1 THR 74 1HG THR 74 0.736 -9.300 3.869 463 HG21 THR 74 3HG2 THR 74 -1.630 -11.224 3.968 464 HG22 THR 74 1HG2 THR 74 -2.412 -11.093 2.373 465 HG23 THR 74 2HG2 THR 74 -1.021 -12.182 2.597 466 H SER 75 H SER 75 2.701 -9.873 0.792 467 HA SER 75 HA SER 75 2.140 -7.277 -0.407 468 HB3 SER 75 2HB SER 75 3.190 -6.343 1.371 469 HG SER 75 HG SER 75 3.114 -7.905 2.895 470 H ALA 76 H ALA 76 3.520 -6.683 -2.180 471 HA ALA 76 HA ALA 76 5.535 -8.651 -2.947 472 HB1 ALA 76 3HB ALA 76 3.237 -9.125 -4.013 473 HB2 ALA 76 1HB ALA 76 3.484 -7.616 -4.926 474 HB3 ALA 76 2HB ALA 76 4.626 -8.967 -5.116 475 H THR 77 H THR 77 7.379 -7.681 -3.691 476 HA THR 77 HA THR 77 7.365 -4.783 -3.790 477 HB THR 77 HB THR 77 9.592 -6.878 -3.994 478 HG1 THR 77 1HG THR 77 8.701 -6.897 -1.900 479 HG21 THR 77 3HG2 THR 77 11.083 -5.009 -3.367 480 HG22 THR 77 1HG2 THR 77 10.244 -4.598 -4.882 481 HG23 THR 77 2HG2 THR 77 9.701 -3.886 -3.343 482 H ILE 78 H ILE 78 7.097 -3.609 -5.574 483 HA ILE 78 HA ILE 78 7.287 -5.011 -8.119 484 HB ILE 78 HB ILE 78 6.247 -2.234 -7.582 485 HG13 ILE 78 2HG1 ILE 78 4.070 -3.081 -7.246 486 HG21 ILE 78 1HG2 ILE 78 6.870 -3.040 -9.942 487 HG22 ILE 78 2HG2 ILE 78 5.452 -4.107 -9.806 488 HG23 ILE 78 3HG2 ILE 78 5.252 -2.342 -9.693 489 HD11 ILE 78 3HD1 ILE 78 5.242 -5.584 -8.400 490 HD12 ILE 78 1HD1 ILE 78 4.026 -5.793 -7.117 491 HD13 ILE 78 2HD1 ILE 78 3.612 -4.894 -8.596 492 H THR 79 H THR 79 8.555 -4.190 -9.885 493 HA THR 79 HA THR 79 10.502 -2.127 -9.189 494 HB THR 79 HB THR 79 11.472 -4.367 -8.537 495 HG1 THR 79 1HG THR 79 13.392 -3.833 -9.724 496 HG21 THR 79 3HG2 THR 79 10.224 -5.410 -10.748 497 HG22 THR 79 1HG2 THR 79 11.825 -5.045 -11.437 498 HG23 THR 79 2HG2 THR 79 11.686 -6.130 -10.032 499 H GLU 80 H GLU 80 12.071 -2.941 -11.633 500 HA GLU 80 HA GLU 80 12.174 -2.060 -13.641 501 HB3 GLU 80 2HB GLU 80 9.971 -3.015 -15.021 502 HG3 GLU 80 2HG GLU 80 12.221 -4.846 -14.109 503 H LEU 81 H LEU 81 10.896 -0.276 -11.728 504 HA LEU 81 HA LEU 81 8.756 0.952 -13.272 505 HB3 LEU 81 2HB LEU 81 8.789 2.485 -11.175 506 HG LEU 81 HG LEU 81 7.926 -0.412 -11.021 507 HD11 LEU 81 1HD1 LEU 81 7.982 0.004 -8.782 508 HD12 LEU 81 2HD1 LEU 81 7.803 1.764 -8.985 509 HD13 LEU 81 3HD1 LEU 81 6.387 0.699 -9.159 510 HD21 LEU 81 3HD2 LEU 81 5.632 0.782 -11.191 511 HD22 LEU 81 1HD2 LEU 81 6.577 2.154 -11.819 512 HD23 LEU 81 2HD2 LEU 81 6.620 0.585 -12.659 513 H VAL 82 H VAL 82 8.838 3.235 -13.855 514 HA VAL 82 HA VAL 82 11.614 4.108 -14.265 515 HB VAL 82 HB VAL 82 9.112 4.448 -15.917 516 HG11 VAL 82 1HG1 VAL 82 9.869 6.395 -16.691 517 HG12 VAL 82 2HG1 VAL 82 11.303 6.289 -15.642 518 HG13 VAL 82 3HG1 VAL 82 11.337 5.573 -17.270 519 HG21 VAL 82 3HG2 VAL 82 10.428 3.349 -17.665 520 HG22 VAL 82 1HG2 VAL 82 11.827 3.250 -16.569 521 HG23 VAL 82 2HG2 VAL 82 10.344 2.334 -16.205 522 H ILE 83 H ILE 83 12.240 5.916 -13.200 523 HA ILE 83 HA ILE 83 10.460 7.225 -11.471 524 HB ILE 83 HB ILE 83 13.220 7.960 -12.450 525 HG13 ILE 83 2HG1 ILE 83 13.216 5.827 -11.325 526 HG21 ILE 83 1HG2 ILE 83 12.393 8.999 -9.844 527 HG22 ILE 83 2HG2 ILE 83 13.214 9.809 -11.200 528 HG23 ILE 83 3HG2 ILE 83 11.440 9.657 -11.195 529 HD11 ILE 83 3HD1 ILE 83 14.027 7.459 -8.988 530 HD12 ILE 83 1HD1 ILE 83 14.988 6.335 -9.978 531 HD13 ILE 83 2HD1 ILE 83 14.725 8.006 -10.531 532 H GLY 84 H GLY 84 9.317 9.147 -11.630 533 HA2 GLY 84 1HA GLY 84 8.742 11.170 -12.608 534 HA3 GLY 84 2HA GLY 84 9.615 10.739 -14.065 535 H ASN 85 H ASN 85 7.221 8.709 -12.278 536 HA ASN 85 HA ASN 85 5.174 9.313 -14.141 537 HB3 ASN 85 2HB ASN 85 5.050 6.686 -14.687 538 HD21 ASN 85 1HD2 ASN 85 7.634 6.510 -16.299 539 HD22 ASN 85 2HD2 ASN 85 7.391 7.560 -17.654 540 H GLU 86 H GLU 86 3.125 8.096 -13.511 541 HA GLU 86 HA GLU 86 3.379 7.029 -10.806 542 HB3 GLU 86 2HB GLU 86 2.268 9.163 -10.653 543 HG3 GLU 86 2HG GLU 86 -0.125 8.951 -12.086 544 H TYR 87 H TYR 87 2.430 5.034 -10.397 545 HA TYR 87 HA TYR 87 0.826 3.912 -12.595 546 HB3 TYR 87 2HB TYR 87 2.010 1.780 -12.047 547 HD1 TYR 87 1HD TYR 87 4.634 4.109 -10.911 548 HD2 TYR 87 2HD TYR 87 2.881 2.148 -14.286 549 HE1 TYR 87 1HE TYR 87 6.646 4.739 -12.332 550 HE2 TYR 87 2HE TYR 87 4.898 2.786 -15.695 551 HH TYR 87 HH TYR 87 7.163 3.369 -15.432 552 H TYR 88 H TYR 88 -0.441 1.888 -11.778 553 HA TYR 88 HA TYR 88 -1.472 2.506 -9.090 554 HB3 TYR 88 2HB TYR 88 -3.557 1.316 -10.365 555 HD1 TYR 88 2HD TYR 88 -3.503 3.437 -8.509 556 HD2 TYR 88 1HD TYR 88 -3.571 3.712 -12.778 557 HE1 TYR 88 2HE TYR 88 -4.544 5.750 -8.351 558 HE2 TYR 88 1HE TYR 88 -4.612 6.025 -12.605 559 HH TYR 88 HH TYR 88 -5.044 7.704 -11.242 560 H PHE 89 H PHE 89 -2.997 0.429 -8.462 561 HA PHE 89 HA PHE 89 -1.848 -2.057 -9.278 562 HB3 PHE 89 2HB PHE 89 -0.992 -2.573 -6.969 563 HD1 PHE 89 1HD PHE 89 0.739 -2.529 -8.944 564 HD2 PHE 89 2HD PHE 89 -0.012 0.750 -6.357 565 HE1 PHE 89 1HE PHE 89 2.981 -1.559 -9.523 566 HE2 PHE 89 2HE PHE 89 2.230 1.719 -6.935 567 HZ PHE 89 HZ PHE 89 3.700 0.554 -8.511 568 H ARG 90 H ARG 90 -3.318 -3.708 -8.971 569 HA ARG 90 HA ARG 90 -5.403 -3.222 -7.026 570 HB3 ARG 90 2HB ARG 90 -6.349 -2.482 -9.186 571 HG3 ARG 90 2HG ARG 90 -5.741 -5.310 -10.169 572 HD3 ARG 90 2HD ARG 90 -6.914 -2.842 -11.544 573 HE ARG 90 HE ARG 90 -5.459 -4.966 -12.724 574 HH11 ARG 90 2HH2 ARG 90 -8.635 -3.486 -13.037 575 HH12 ARG 90 1HH2 ARG 90 -8.801 -3.894 -14.712 576 HH21 ARG 90 2HH1 ARG 90 -5.677 -5.505 -14.934 577 HH22 ARG 90 1HH1 ARG 90 -7.107 -5.051 -15.798 578 H VAL 91 H VAL 91 -5.834 -5.077 -5.830 579 HA VAL 91 HA VAL 91 -4.592 -7.542 -6.806 580 HB VAL 91 HB VAL 91 -5.425 -6.647 -4.040 581 HG11 VAL 91 1HG1 VAL 91 -4.903 -8.699 -3.182 582 HG12 VAL 91 2HG1 VAL 91 -5.464 -9.215 -4.791 583 HG13 VAL 91 3HG1 VAL 91 -3.721 -9.061 -4.462 584 HG21 VAL 91 3HG2 VAL 91 -2.760 -6.835 -5.451 585 HG22 VAL 91 1HG2 VAL 91 -3.477 -5.450 -4.594 586 HG23 VAL 91 2HG2 VAL 91 -2.887 -6.856 -3.676 587 H PHE 92 H PHE 92 -5.845 -9.224 -7.461 588 HA PHE 92 HA PHE 92 -8.720 -8.923 -7.026 589 HB3 PHE 92 2HB PHE 92 -8.615 -10.780 -8.904 590 HD1 PHE 92 2HD PHE 92 -10.268 -9.012 -9.511 591 HD2 PHE 92 1HD PHE 92 -6.100 -8.483 -10.108 592 HE1 PHE 92 2HE PHE 92 -10.735 -7.131 -11.107 593 HE2 PHE 92 1HE PHE 92 -6.567 -6.603 -11.703 594 HZ PHE 92 HZ PHE 92 -8.880 -5.950 -12.184 595 H SER 93 H SER 93 -9.713 -11.422 -7.301 596 HA SER 93 HA SER 93 -8.344 -12.895 -5.187 597 HB3 SER 93 2HB SER 93 -10.429 -13.501 -4.235 598 HG SER 93 HG SER 93 -9.931 -10.944 -4.568 599 H GLU 94 H GLU 94 -7.365 -14.667 -6.104 600 HA GLU 94 HA GLU 94 -8.597 -15.802 -8.454 601 HB3 GLU 94 2HB GLU 94 -6.284 -17.272 -7.923 602 HG3 GLU 94 2HG GLU 94 -6.043 -14.667 -9.413 603 H ASN 95 H ASN 95 -9.027 -18.131 -8.633 604 HA ASN 95 HA ASN 95 -8.734 -19.882 -6.544 605 HB3 ASN 95 2HB ASN 95 -10.452 -18.319 -5.455 606 HD21 ASN 95 1HD2 ASN 95 -13.073 -19.862 -5.649 607 HD22 ASN 95 2HD2 ASN 95 -13.976 -19.065 -6.894 608 H MET 96 H MET 96 -11.090 -21.498 -6.892 609 HA MET 96 HA MET 96 -10.569 -22.728 -9.271 610 HB3 MET 96 2HB MET 96 -11.770 -23.841 -7.441 611 HG3 MET 96 2HG MET 96 -13.065 -21.490 -7.013 612 HE1 MET 96 3HE MET 96 -16.690 -23.790 -7.835 613 HE2 MET 96 1HE MET 96 -15.570 -23.630 -6.459 614 HE3 MET 96 2HE MET 96 -16.746 -22.340 -6.805 615 H CYS 97 H CYS 97 -12.979 -20.176 -8.484 616 HA CYS 97 HA CYS 97 -14.363 -20.324 -10.907 617 HB3 CYS 97 2HB CYS 97 -14.831 -17.788 -10.206 618 HG CYS 97 HG CYS 97 -16.515 -19.862 -10.427 619 H GLY 98 H GLY 98 -12.448 -17.428 -9.896 620 HA2 GLY 98 1HA GLY 98 -10.423 -17.551 -11.795 621 HA3 GLY 98 2HA GLY 98 -11.779 -16.747 -12.561 622 H LEU 99 H LEU 99 -11.229 -14.591 -12.592 623 HA LEU 99 HA LEU 99 -10.147 -13.458 -10.124 624 HB3 LEU 99 2HB LEU 99 -9.661 -11.497 -11.630 625 HG LEU 99 HG LEU 99 -7.770 -12.469 -12.827 626 HD11 LEU 99 1HD1 LEU 99 -7.698 -12.044 -10.348 627 HD12 LEU 99 2HD1 LEU 99 -7.986 -13.784 -10.112 628 HD13 LEU 99 3HD1 LEU 99 -6.518 -13.232 -10.954 629 HD21 LEU 99 3HD2 LEU 99 -9.164 -14.587 -13.425 630 HD22 LEU 99 1HD2 LEU 99 -7.403 -14.720 -13.195 631 HD23 LEU 99 2HD2 LEU 99 -8.512 -15.226 -11.897 632 H SER 100 H SER 100 -11.041 -11.421 -9.301 633 HA SER 100 HA SER 100 -13.892 -11.512 -9.490 634 HB3 SER 100 2HB SER 100 -13.090 -11.217 -7.278 635 HG SER 100 HG SER 100 -11.676 -8.818 -7.720 636 H GLU 101 H GLU 101 -15.181 -10.094 -10.651 637 HA GLU 101 HA GLU 101 -14.110 -8.571 -12.635 638 HB3 GLU 101 2HB GLU 101 -16.607 -7.382 -11.952 639 HG3 GLU 101 2HG GLU 101 -16.819 -9.759 -13.655 640 H ASP 102 H ASP 102 -14.914 -7.692 -9.254 641 HA ASP 102 HA ASP 102 -14.005 -4.994 -9.837 642 HB3 ASP 102 2HB ASP 102 -15.422 -4.259 -8.186 643 H ALA 103 H ALA 103 -12.099 -4.219 -8.808 644 HA ALA 103 HA ALA 103 -10.882 -6.003 -6.819 645 HB1 ALA 103 3HB ALA 103 -8.688 -5.083 -8.054 646 HB2 ALA 103 1HB ALA 103 -9.526 -6.555 -8.599 647 HB3 ALA 103 2HB ALA 103 -9.808 -5.009 -9.435 648 H THR 104 H THR 104 -9.368 -4.879 -5.356 649 HA THR 104 HA THR 104 -10.272 -2.137 -4.920 650 HB THR 104 HB THR 104 -8.570 -3.962 -3.150 651 HG1 THR 104 1HG THR 104 -10.684 -4.878 -3.787 652 HG21 THR 104 3HG2 THR 104 -10.410 -2.392 -1.674 653 HG22 THR 104 1HG2 THR 104 -8.649 -2.146 -1.759 654 HG23 THR 104 2HG2 THR 104 -9.725 -1.274 -2.877 655 H MET 105 H MET 105 -9.207 -0.736 -6.234 656 HA MET 105 HA MET 105 -6.356 -1.110 -6.506 657 HB3 MET 105 2HB MET 105 -8.262 0.945 -7.758 658 HG3 MET 105 2HG MET 105 -6.103 0.467 -9.487 659 HE1 MET 105 3HE MET 105 -7.692 2.799 -10.426 660 HE2 MET 105 1HE MET 105 -6.302 3.912 -10.443 661 HE3 MET 105 2HE MET 105 -6.060 2.181 -10.778 662 H THR 106 H THR 106 -4.810 0.603 -6.027 663 HA THR 106 HA THR 106 -5.461 1.999 -3.627 664 HB THR 106 HB THR 106 -3.053 2.803 -3.961 665 HG1 THR 106 1HG THR 106 -3.380 2.630 -6.383 666 HG21 THR 106 3HG2 THR 106 -2.635 -0.011 -4.619 667 HG22 THR 106 1HG2 THR 106 -2.362 0.816 -3.067 668 HG23 THR 106 2HG2 THR 106 -3.966 0.144 -3.448 669 H LYS 107 H LYS 107 -6.920 3.622 -3.716 670 HA LYS 107 HA LYS 107 -7.322 5.257 -5.918 671 HB3 LYS 107 2HB LYS 107 -8.201 6.798 -3.878 672 HG3 LYS 107 2HG LYS 107 -9.628 5.816 -5.631 673 HD3 LYS 107 2HD LYS 107 -10.380 3.312 -4.575 674 HE3 LYS 107 2HE LYS 107 -8.482 2.892 -6.680 675 HZ1 LYS 107 3HZ LYS 107 -11.069 2.391 -6.166 676 HZ2 LYS 107 1HZ LYS 107 -11.170 3.403 -7.443 677 HZ3 LYS 107 2HZ LYS 107 -10.301 2.025 -7.560 678 H GLU 108 H GLU 108 -4.844 5.277 -3.415 679 HA GLU 108 HA GLU 108 -4.123 7.987 -3.982 680 HB3 GLU 108 2HB GLU 108 -2.035 6.948 -2.506 681 HG3 GLU 108 2HG GLU 108 -3.570 7.645 -0.483 682 H SER 109 H SER 109 -2.999 4.661 -4.741 683 HA SER 109 HA SER 109 -1.750 3.918 -6.364 684 HB3 SER 109 2HB SER 109 -2.718 6.177 -7.530 685 HG SER 109 HG SER 109 -0.188 6.633 -8.443 686 H ALA 110 H ALA 110 0.664 5.021 -7.558 687 HA ALA 110 HA ALA 110 2.271 5.761 -5.232 688 HB1 ALA 110 3HB ALA 110 3.867 4.015 -5.642 689 HB2 ALA 110 1HB ALA 110 2.265 3.241 -5.575 690 HB3 ALA 110 2HB ALA 110 3.048 3.533 -7.147 691 H VAL 111 H VAL 111 3.711 7.367 -5.713 692 HA VAL 111 HA VAL 111 3.982 8.014 -8.563 693 HB VAL 111 HB VAL 111 4.181 9.704 -6.065 694 HG11 VAL 111 1HG1 VAL 111 4.642 10.483 -8.965 695 HG12 VAL 111 2HG1 VAL 111 4.491 11.625 -7.608 696 HG13 VAL 111 3HG1 VAL 111 5.849 10.474 -7.656 697 HG21 VAL 111 3HG2 VAL 111 2.155 10.696 -6.694 698 HG22 VAL 111 1HG2 VAL 111 2.264 10.090 -8.365 699 HG23 VAL 111 2HG2 VAL 111 1.897 8.967 -7.033 700 H ILE 112 H ILE 112 5.853 7.315 -9.446 701 HA ILE 112 HA ILE 112 8.069 6.668 -7.750 702 HB ILE 112 HB ILE 112 7.848 6.659 -10.761 703 HG13 ILE 112 2HG1 ILE 112 7.481 4.158 -10.367 704 HG21 ILE 112 1HG2 ILE 112 9.684 4.930 -9.127 705 HG22 ILE 112 2HG2 ILE 112 9.795 5.409 -10.837 706 HG23 ILE 112 3HG2 ILE 112 10.150 6.593 -9.557 707 HD11 ILE 112 3HD1 ILE 112 6.183 4.937 -7.779 708 HD12 ILE 112 1HD1 ILE 112 6.860 3.370 -8.286 709 HD13 ILE 112 2HD1 ILE 112 7.944 4.676 -7.750 710 H ALA 113 H ALA 113 10.032 7.754 -7.539 711 HA ALA 113 HA ALA 113 10.751 9.923 -9.180 712 HB1 ALA 113 3HB ALA 113 9.202 10.493 -6.666 713 HB2 ALA 113 1HB ALA 113 10.541 11.576 -7.113 714 HB3 ALA 113 2HB ALA 113 9.178 11.337 -8.232 715 H ARG 114 H ARG 114 12.809 10.922 -8.398 716 HA ARG 114 HA ARG 114 14.339 8.899 -7.131 717 HB3 ARG 114 2HB ARG 114 16.060 11.043 -7.376 718 HG3 ARG 114 2HG ARG 114 15.473 9.778 -9.989 719 HD3 ARG 114 2HD ARG 114 17.695 10.812 -8.903 720 HE ARG 114 HE ARG 114 17.481 8.212 -7.582 721 HH11 ARG 114 2HH2 ARG 114 19.729 10.611 -8.835 722 HH12 ARG 114 1HH2 ARG 114 21.034 10.109 -7.811 723 HH21 ARG 114 2HH1 ARG 114 19.202 7.549 -6.231 724 HH22 ARG 114 1HH1 ARG 114 20.732 8.357 -6.321 725 H ASP 115 H ASP 115 12.607 9.458 -5.181 726 HA ASP 115 HA ASP 115 14.216 10.489 -3.151 727 HB3 ASP 115 2HB ASP 115 11.727 12.147 -3.352 728 H GLY 116 H GLY 116 12.897 10.463 -0.995 729 HA2 GLY 116 1HA GLY 116 10.635 8.571 -1.249 730 HA3 GLY 116 2HA GLY 116 11.826 8.531 0.036 731 H LYS 117 H LYS 117 8.738 9.056 -0.166 732 HA LYS 117 HA LYS 117 8.507 11.735 0.836 733 HB3 LYS 117 2HB LYS 117 6.560 9.467 0.393 734 HG3 LYS 117 2HG LYS 117 5.870 10.816 2.400 735 HD3 LYS 117 2HD LYS 117 6.844 12.988 0.770 736 HE3 LYS 117 2HE LYS 117 4.921 14.547 0.979 737 HZ1 LYS 117 3HZ LYS 117 3.425 12.819 -0.472 738 HZ2 LYS 117 1HZ LYS 117 4.566 13.829 -1.061 739 HZ3 LYS 117 2HZ LYS 117 4.950 12.282 -0.708 740 H ILE 118 H ILE 118 8.097 12.384 2.972 741 HA ILE 118 HA ILE 118 9.258 10.731 4.946 742 HB ILE 118 HB ILE 118 7.595 13.202 5.396 743 HG13 ILE 118 2HG1 ILE 118 10.165 12.906 3.976 744 HG21 ILE 118 1HG2 ILE 118 8.246 12.996 7.503 745 HG22 ILE 118 2HG2 ILE 118 9.090 11.482 7.099 746 HG23 ILE 118 3HG2 ILE 118 9.952 13.036 6.996 747 HD11 ILE 118 3HD1 ILE 118 8.909 14.248 2.647 748 HD12 ILE 118 1HD1 ILE 118 7.717 14.515 3.941 749 HD13 ILE 118 2HD1 ILE 118 9.171 15.537 3.846 750 H TYR 119 H TYR 119 6.788 11.999 6.683 751 HA TYR 119 HA TYR 119 4.838 9.930 6.110 752 HB3 TYR 119 2HB TYR 119 5.112 8.928 8.313 753 HD1 TYR 119 1HD TYR 119 6.277 7.544 6.398 754 HD2 TYR 119 2HD TYR 119 8.336 10.201 9.043 755 HE1 TYR 119 1HE TYR 119 8.466 6.346 5.910 756 HE2 TYR 119 2HE TYR 119 10.519 8.994 8.547 757 HH TYR 119 HH TYR 119 10.854 6.211 7.573 758 H LYS 120 H LYS 120 4.079 10.476 9.140 759 HA LYS 120 HA LYS 120 2.890 13.113 8.634 760 HB3 LYS 120 2HB LYS 120 1.229 11.329 8.296 761 HG3 LYS 120 2HG LYS 120 1.468 10.717 11.261 762 HD3 LYS 120 2HD LYS 120 0.522 8.473 10.108 763 HE3 LYS 120 2HE LYS 120 -1.585 10.570 10.186 764 HZ1 LYS 120 3HZ LYS 120 -1.494 7.978 10.621 765 HZ2 LYS 120 1HZ LYS 120 -1.333 8.495 12.161 766 HZ3 LYS 120 2HZ LYS 120 -2.633 8.945 11.281 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -18.846 -0.002 24.282 2 HA2 GLY 1 1HA GLY 1 -18.317 -1.257 26.073 3 HA3 GLY 1 2HA GLY 1 -19.980 -1.013 26.571 4 H SER 2 H SER 2 -21.669 -2.503 25.450 5 HA SER 2 HA SER 2 -21.128 -5.073 26.082 6 HB3 SER 2 2HB SER 2 -23.026 -5.238 23.999 7 HG SER 2 HG SER 2 -23.390 -6.114 26.084 8 H SER 3 H SER 3 -20.210 -6.866 25.055 9 HA SER 3 HA SER 3 -19.061 -6.285 22.445 10 HB3 SER 3 2HB SER 3 -17.990 -8.703 23.568 11 HG SER 3 HG SER 3 -17.097 -6.117 22.845 12 H GLY 4 H GLY 4 -18.756 -8.439 21.071 13 HA2 GLY 4 1HA GLY 4 -21.208 -9.362 20.256 14 HA3 GLY 4 2HA GLY 4 -19.681 -10.179 19.986 15 H SER 5 H SER 5 -22.141 -11.581 20.370 16 HA SER 5 HA SER 5 -21.466 -12.928 22.854 17 HB3 SER 5 2HB SER 5 -24.334 -13.064 22.314 18 HG SER 5 HG SER 5 -22.814 -13.211 24.400 19 H SER 6 H SER 6 -23.561 -13.037 19.877 20 HA SER 6 HA SER 6 -23.946 -14.598 18.420 21 HB3 SER 6 2HB SER 6 -22.072 -16.594 18.505 22 HG SER 6 HG SER 6 -21.546 -15.583 16.703 23 H GLY 7 H GLY 7 -25.543 -16.150 18.513 24 HA2 GLY 7 1HA GLY 7 -25.337 -18.383 20.329 25 HA3 GLY 7 2HA GLY 7 -26.561 -17.213 20.783 26 H ALA 8 H ALA 8 -25.600 -19.693 18.461 27 HA ALA 8 HA ALA 8 -28.237 -20.229 17.726 28 HB1 ALA 8 3HB ALA 8 -27.357 -17.957 16.438 29 HB2 ALA 8 1HB ALA 8 -26.935 -19.230 15.267 30 HB3 ALA 8 2HB ALA 8 -28.617 -19.054 15.823 31 H SER 9 H SER 9 -24.938 -20.102 16.189 32 HA SER 9 HA SER 9 -23.576 -21.685 15.584 33 HB3 SER 9 2HB SER 9 -25.066 -24.033 16.631 34 HG SER 9 HG SER 9 -22.483 -22.930 17.338 35 H ILE 10 H ILE 10 -24.478 -21.125 13.406 36 HA ILE 10 HA ILE 10 -25.898 -23.438 12.287 37 HB ILE 10 HB ILE 10 -27.214 -22.030 10.906 38 HG13 ILE 10 2HG1 ILE 10 -27.043 -19.692 10.706 39 HG21 ILE 10 1HG2 ILE 10 -28.112 -20.428 12.939 40 HG22 ILE 10 2HG2 ILE 10 -28.560 -22.133 12.691 41 HG23 ILE 10 3HG2 ILE 10 -27.255 -21.711 13.826 42 HD11 ILE 10 3HD1 ILE 10 -26.007 -19.834 13.383 43 HD12 ILE 10 1HD1 ILE 10 -24.787 -19.030 12.366 44 HD13 ILE 10 2HD1 ILE 10 -26.444 -18.383 12.450 45 H ASP 11 H ASP 11 -25.193 -24.136 10.239 46 HA ASP 11 HA ASP 11 -22.541 -23.229 9.641 47 HB3 ASP 11 2HB ASP 11 -23.027 -25.100 7.737 48 H ILE 12 H ILE 12 -22.364 -21.449 8.264 49 HA ILE 12 HA ILE 12 -24.508 -20.939 6.379 50 HB ILE 12 HB ILE 12 -22.071 -19.344 7.177 51 HG13 ILE 12 2HG1 ILE 12 -23.815 -19.653 8.937 52 HG21 ILE 12 1HG2 ILE 12 -23.233 -19.105 4.779 53 HG22 ILE 12 2HG2 ILE 12 -24.341 -18.084 5.728 54 HG23 ILE 12 3HG2 ILE 12 -22.600 -17.715 5.692 55 HD11 ILE 12 3HD1 ILE 12 -24.356 -16.926 8.743 56 HD12 ILE 12 1HD1 ILE 12 -22.910 -17.640 9.496 57 HD13 ILE 12 2HD1 ILE 12 -22.856 -17.105 7.799 58 H GLN 13 H GLN 13 -24.250 -22.655 4.875 59 HA GLN 13 HA GLN 13 -21.690 -22.651 3.499 60 HB3 GLN 13 2HB GLN 13 -22.105 -24.873 4.041 61 HG3 GLN 13 2HG GLN 13 -25.007 -24.073 3.796 62 HE21 GLN 13 1HE2 GLN 13 -26.050 -26.315 4.983 63 HE22 GLN 13 2HE2 GLN 13 -26.042 -27.653 3.882 64 H ILE 14 H ILE 14 -21.909 -20.843 2.120 65 HA ILE 14 HA ILE 14 -23.903 -21.221 0.015 66 HB ILE 14 HB ILE 14 -23.295 -18.491 1.105 67 HG13 ILE 14 2HG1 ILE 14 -24.118 -19.728 3.017 68 HG21 ILE 14 1HG2 ILE 14 -24.871 -17.748 -0.315 69 HG22 ILE 14 2HG2 ILE 14 -24.534 -19.267 -1.181 70 HG23 ILE 14 3HG2 ILE 14 -25.921 -19.165 -0.068 71 HD11 ILE 14 3HD1 ILE 14 -25.508 -18.025 3.572 72 HD12 ILE 14 1HD1 ILE 14 -25.373 -17.468 1.887 73 HD13 ILE 14 2HD1 ILE 14 -26.711 -18.540 2.365 74 H ILE 15 H ILE 15 -22.616 -21.782 -1.675 75 HA ILE 15 HA ILE 15 -19.948 -21.029 -1.914 76 HB ILE 15 HB ILE 15 -20.240 -21.781 -4.282 77 HG13 ILE 15 2HG1 ILE 15 -23.063 -21.493 -3.547 78 HG21 ILE 15 1HG2 ILE 15 -20.640 -24.126 -3.684 79 HG22 ILE 15 2HG2 ILE 15 -19.577 -23.316 -2.508 80 HG23 ILE 15 3HG2 ILE 15 -21.285 -23.615 -2.106 81 HD11 ILE 15 3HD1 ILE 15 -22.345 -22.194 -6.315 82 HD12 ILE 15 1HD1 ILE 15 -23.142 -20.731 -5.687 83 HD13 ILE 15 2HD1 ILE 15 -21.366 -20.850 -5.677 84 H ASP 16 H ASP 16 -18.940 -19.587 -3.530 85 HA ASP 16 HA ASP 16 -20.262 -17.771 -5.028 86 HB3 ASP 16 2HB ASP 16 -19.455 -15.924 -2.971 87 H ARG 17 H ARG 17 -18.698 -16.208 -5.966 88 HA ARG 17 HA ARG 17 -16.072 -17.141 -5.809 89 HB3 ARG 17 2HB ARG 17 -16.027 -14.566 -7.020 90 HG3 ARG 17 2HG ARG 17 -16.539 -17.323 -8.236 91 HD3 ARG 17 2HD ARG 17 -15.011 -15.509 -9.901 92 HE ARG 17 HE ARG 17 -16.222 -17.154 -11.100 93 HH11 ARG 17 2HH2 ARG 17 -18.413 -15.105 -9.259 94 HH12 ARG 17 1HH2 ARG 17 -19.834 -15.690 -10.057 95 HH21 ARG 17 2HH1 ARG 17 -18.097 -17.925 -12.152 96 HH22 ARG 17 1HH1 ARG 17 -19.654 -17.305 -11.714 97 HA PRO 18 HA PRO 18 -14.505 -14.511 -2.700 98 HB3 PRO 18 2HB PRO 18 -12.603 -15.787 -2.463 99 HG3 PRO 18 2HG PRO 18 -12.067 -17.068 -4.304 100 HD3 PRO 18 2HD PRO 18 -14.138 -17.259 -5.285 101 H GLY 19 H GLY 19 -15.248 -12.481 -2.607 102 HA2 GLY 19 1HA GLY 19 -15.079 -10.678 -4.700 103 HA3 GLY 19 2HA GLY 19 -15.292 -10.271 -3.010 104 HA PRO 20 HA PRO 20 -11.245 -8.629 -4.228 105 HB3 PRO 20 2HB PRO 20 -11.917 -6.591 -5.063 106 HG3 PRO 20 2HG PRO 20 -14.137 -6.084 -4.694 107 HD3 PRO 20 2HD PRO 20 -15.005 -8.200 -4.454 108 HA PRO 21 HA PRO 21 -9.416 -8.677 -0.395 109 HB3 PRO 21 2HB PRO 21 -7.271 -8.530 -1.219 110 HG3 PRO 21 2HG PRO 21 -7.095 -7.487 -3.269 111 HD3 PRO 21 2HD PRO 21 -9.217 -7.833 -4.085 112 H GLN 22 H GLN 22 -9.259 -7.854 1.730 113 HA GLN 22 HA GLN 22 -11.224 -6.160 2.390 114 HB3 GLN 22 2HB GLN 22 -9.420 -5.605 4.379 115 HG3 GLN 22 2HG GLN 22 -10.388 -8.427 4.372 116 HE21 GLN 22 1HE2 GLN 22 -8.931 -8.034 6.222 117 HE22 GLN 22 2HE2 GLN 22 -9.585 -7.357 7.676 118 H ILE 23 H ILE 23 -7.745 -5.252 1.857 119 HA ILE 23 HA ILE 23 -8.564 -2.722 0.802 120 HB ILE 23 HB ILE 23 -8.596 -2.564 3.385 121 HG13 ILE 23 2HG1 ILE 23 -8.319 -0.296 3.198 122 HG21 ILE 23 1HG2 ILE 23 -5.657 -2.786 2.807 123 HG22 ILE 23 2HG2 ILE 23 -6.240 -1.782 4.155 124 HG23 ILE 23 3HG2 ILE 23 -6.618 -3.520 4.112 125 HD11 ILE 23 3HD1 ILE 23 -6.172 0.380 2.849 126 HD12 ILE 23 1HD1 ILE 23 -5.791 -1.058 1.872 127 HD13 ILE 23 2HD1 ILE 23 -6.586 0.346 1.119 128 H VAL 24 H VAL 24 -6.653 -1.502 -0.051 129 HA VAL 24 HA VAL 24 -4.280 -3.190 -0.299 130 HB VAL 24 HB VAL 24 -5.784 -1.937 -2.606 131 HG11 VAL 24 1HG1 VAL 24 -3.404 -1.824 -3.008 132 HG12 VAL 24 2HG1 VAL 24 -3.197 -3.524 -2.525 133 HG13 VAL 24 3HG1 VAL 24 -4.094 -3.124 -4.010 134 HG21 VAL 24 3HG2 VAL 24 -6.049 -4.502 -1.318 135 HG22 VAL 24 1HG2 VAL 24 -6.958 -3.830 -2.694 136 HG23 VAL 24 2HG2 VAL 24 -5.443 -4.721 -2.977 137 H LYS 25 H LYS 25 -2.681 -1.970 0.561 138 HA LYS 25 HA LYS 25 -2.692 0.879 -0.154 139 HB3 LYS 25 2HB LYS 25 -3.305 0.702 2.166 140 HG3 LYS 25 2HG LYS 25 -1.114 -1.345 2.188 141 HD3 LYS 25 2HD LYS 25 -0.770 0.859 3.841 142 HE3 LYS 25 2HE LYS 25 -1.430 -0.806 6.035 143 HZ1 LYS 25 3HZ LYS 25 -2.714 1.013 6.635 144 HZ2 LYS 25 1HZ LYS 25 -1.533 1.667 5.717 145 HZ3 LYS 25 2HZ LYS 25 -3.029 1.458 5.096 146 H ILE 26 H ILE 26 -0.397 1.842 0.020 147 HA ILE 26 HA ILE 26 1.449 -0.150 -1.095 148 HB ILE 26 HB ILE 26 1.134 2.807 -1.593 149 HG13 ILE 26 2HG1 ILE 26 -0.009 0.551 -2.814 150 HG21 ILE 26 1HG2 ILE 26 3.265 1.073 -2.840 151 HG22 ILE 26 2HG2 ILE 26 3.106 2.846 -2.860 152 HG23 ILE 26 3HG2 ILE 26 3.552 2.010 -1.354 153 HD11 ILE 26 3HD1 ILE 26 0.389 3.408 -3.818 154 HD12 ILE 26 1HD1 ILE 26 -0.782 2.245 -4.486 155 HD13 ILE 26 2HD1 ILE 26 -0.959 2.824 -2.812 156 H GLU 27 H GLU 27 2.677 -0.899 0.576 157 HA GLU 27 HA GLU 27 3.168 0.193 2.925 158 HB3 GLU 27 2HB GLU 27 5.687 -0.896 1.981 159 HG3 GLU 27 2HG GLU 27 4.370 -2.927 3.315 160 H ASP 28 H ASP 28 4.995 0.939 -0.108 161 HA ASP 28 HA ASP 28 5.361 3.561 0.481 162 HB3 ASP 28 2HB ASP 28 8.076 2.400 0.876 163 H VAL 29 H VAL 29 7.528 4.376 -0.871 164 HA VAL 29 HA VAL 29 8.142 2.531 -3.020 165 HB VAL 29 HB VAL 29 6.161 3.478 -3.892 166 HG11 VAL 29 1HG1 VAL 29 5.637 5.832 -3.951 167 HG12 VAL 29 2HG1 VAL 29 6.025 5.378 -2.274 168 HG13 VAL 29 3HG1 VAL 29 7.224 6.249 -3.260 169 HG21 VAL 29 3HG2 VAL 29 8.490 5.050 -5.046 170 HG22 VAL 29 1HG2 VAL 29 8.074 3.367 -5.453 171 HG23 VAL 29 2HG2 VAL 29 6.950 4.686 -5.860 172 H TRP 30 H TRP 30 10.291 2.664 -3.412 173 HA TRP 30 HA TRP 30 11.577 5.252 -2.892 174 HB3 TRP 30 2HB TRP 30 12.042 3.899 -0.972 175 HD1 TRP 30 HD TRP 30 14.669 1.827 -2.694 176 HE1 TRP 30 1HE TRP 30 14.215 -0.765 -2.483 177 HE3 TRP 30 3HE TRP 30 9.922 2.269 -0.928 178 HZ2 TRP 30 2HZ TRP 30 11.972 -2.304 -1.623 179 HZ3 TRP 30 3HZ TRP 30 8.669 0.173 -0.428 180 HH2 TRP 30 HH TRP 30 9.619 -2.056 -0.748 181 H GLY 31 H GLY 31 13.262 5.757 -4.380 182 HA2 GLY 31 1HA GLY 31 14.031 5.808 -6.517 183 HA3 GLY 31 2HA GLY 31 14.675 4.242 -6.062 184 H GLU 32 H GLU 32 14.210 2.620 -7.473 185 HA GLU 32 HA GLU 32 11.760 2.931 -9.018 186 HB3 GLU 32 2HB GLU 32 12.809 1.658 -10.773 187 HG3 GLU 32 2HG GLU 32 14.977 3.425 -9.546 188 H ASN 33 H ASN 33 11.410 2.007 -6.419 189 HA ASN 33 HA ASN 33 10.654 -0.727 -6.982 190 HB3 ASN 33 2HB ASN 33 11.456 -1.485 -4.751 191 HD21 ASN 33 1HD2 ASN 33 13.713 1.053 -5.689 192 HD22 ASN 33 2HD2 ASN 33 14.911 0.043 -6.428 193 H VAL 34 H VAL 34 8.510 -1.028 -6.303 194 HA VAL 34 HA VAL 34 7.447 0.982 -4.441 195 HB VAL 34 HB VAL 34 6.444 -0.226 -6.958 196 HG11 VAL 34 1HG1 VAL 34 4.068 0.557 -6.021 197 HG12 VAL 34 2HG1 VAL 34 4.658 -1.113 -5.843 198 HG13 VAL 34 3HG1 VAL 34 4.792 0.029 -4.483 199 HG21 VAL 34 3HG2 VAL 34 5.414 2.021 -7.185 200 HG22 VAL 34 1HG2 VAL 34 6.053 2.452 -5.580 201 HG23 VAL 34 2HG2 VAL 34 7.173 2.093 -6.917 202 H ALA 35 H ALA 35 6.145 0.277 -2.707 203 HA ALA 35 HA ALA 35 6.253 -2.631 -2.278 204 HB1 ALA 35 3HB ALA 35 7.606 -1.732 -0.607 205 HB2 ALA 35 1HB ALA 35 6.635 -0.246 -0.472 206 HB3 ALA 35 2HB ALA 35 6.022 -1.775 0.204 207 H LEU 36 H LEU 36 4.312 -3.634 -2.378 208 HA LEU 36 HA LEU 36 1.941 -1.954 -2.005 209 HB3 LEU 36 2HB LEU 36 0.844 -3.989 -3.149 210 HG LEU 36 HG LEU 36 2.613 -1.993 -4.525 211 HD11 LEU 36 1HD1 LEU 36 1.008 -4.001 -6.103 212 HD12 LEU 36 2HD1 LEU 36 2.227 -2.837 -6.677 213 HD13 LEU 36 3HD1 LEU 36 2.728 -4.253 -5.722 214 HD21 LEU 36 3HD2 LEU 36 0.074 -1.856 -5.585 215 HD22 LEU 36 1HD2 LEU 36 -0.227 -2.311 -3.891 216 HD23 LEU 36 2HD2 LEU 36 0.715 -0.849 -4.266 217 H THR 37 H THR 37 0.165 -2.765 -0.710 218 HA THR 37 HA THR 37 0.700 -5.087 0.940 219 HB THR 37 HB THR 37 0.137 -3.389 2.961 220 HG1 THR 37 1HG THR 37 1.176 -1.331 2.372 221 HG21 THR 37 3HG2 THR 37 2.943 -3.104 1.870 222 HG22 THR 37 1HG2 THR 37 2.414 -3.408 3.542 223 HG23 THR 37 2HG2 THR 37 2.389 -4.726 2.346 224 H TRP 38 H TRP 38 -1.101 -6.232 0.600 225 HA TRP 38 HA TRP 38 -3.633 -4.742 0.760 226 HB3 TRP 38 2HB TRP 38 -3.270 -5.485 -1.501 227 HD1 TRP 38 HD TRP 38 -4.245 -9.037 -0.476 228 HE1 TRP 38 1HE TRP 38 -2.516 -10.819 -1.367 229 HE3 TRP 38 3HE TRP 38 -0.779 -5.664 -2.049 230 HZ2 TRP 38 2HZ TRP 38 0.050 -10.624 -2.603 231 HZ3 TRP 38 3HZ TRP 38 1.310 -6.544 -3.086 232 HH2 TRP 38 HH TRP 38 1.752 -8.930 -3.373 233 H THR 39 H THR 39 -5.401 -5.942 1.818 234 HA THR 39 HA THR 39 -4.331 -7.781 3.833 235 HB THR 39 HB THR 39 -6.607 -7.179 4.914 236 HG1 THR 39 1HG THR 39 -7.541 -5.255 3.825 237 HG21 THR 39 3HG2 THR 39 -4.583 -5.932 5.632 238 HG22 THR 39 1HG2 THR 39 -4.696 -4.895 4.191 239 HG23 THR 39 2HG2 THR 39 -5.949 -4.807 5.452 240 HA PRO 40 HA PRO 40 -6.455 -11.162 2.266 241 HB3 PRO 40 2HB PRO 40 -5.530 -12.585 3.821 242 HG3 PRO 40 2HG PRO 40 -4.855 -11.567 5.779 243 HD3 PRO 40 2HD PRO 40 -4.532 -9.418 5.029 244 HA PRO 41 HA PRO 41 -10.664 -10.657 2.121 245 HB3 PRO 41 2HB PRO 41 -10.892 -11.963 0.239 246 HG3 PRO 41 2HG PRO 41 -9.213 -13.515 -0.068 247 HD3 PRO 41 2HD PRO 41 -7.516 -12.520 1.123 248 H LYS 42 H LYS 42 -12.532 -10.586 3.321 249 HA LYS 42 HA LYS 42 -12.216 -11.937 5.861 250 HB3 LYS 42 2HB LYS 42 -14.646 -10.381 5.566 251 HG3 LYS 42 2HG LYS 42 -12.089 -9.855 7.148 252 HD3 LYS 42 2HD LYS 42 -14.082 -8.116 6.919 253 HE3 LYS 42 2HE LYS 42 -15.155 -9.932 9.122 254 HZ1 LYS 42 3HZ LYS 42 -15.969 -7.848 9.449 255 HZ2 LYS 42 1HZ LYS 42 -15.954 -7.433 7.870 256 HZ3 LYS 42 2HZ LYS 42 -17.114 -8.430 8.442 257 H ASP 43 H ASP 43 -13.523 -12.630 2.809 258 HA ASP 43 HA ASP 43 -15.295 -14.569 4.066 259 HB3 ASP 43 2HB ASP 43 -15.780 -13.147 1.407 260 H ASP 44 H ASP 44 -15.805 -16.402 2.297 261 HA ASP 44 HA ASP 44 -13.525 -16.716 0.534 262 HB3 ASP 44 2HB ASP 44 -12.786 -18.071 2.324 263 H GLY 45 H GLY 45 -16.606 -18.211 1.790 264 HA2 GLY 45 1HA GLY 45 -18.505 -18.750 0.663 265 HA3 GLY 45 2HA GLY 45 -17.790 -18.189 -0.835 266 H ASN 46 H ASN 46 -16.742 -20.709 1.568 267 HA ASN 46 HA ASN 46 -16.258 -22.811 1.352 268 HB3 ASN 46 2HB ASN 46 -17.473 -24.037 -0.714 269 HD21 ASN 46 1HD2 ASN 46 -19.822 -21.969 0.722 270 HD22 ASN 46 2HD2 ASN 46 -20.349 -23.008 2.004 271 H ALA 47 H ALA 47 -14.031 -22.018 0.716 272 HA ALA 47 HA ALA 47 -13.094 -23.298 -1.593 273 HB1 ALA 47 3HB ALA 47 -12.753 -20.333 -1.894 274 HB2 ALA 47 1HB ALA 47 -12.796 -21.608 -3.135 275 HB3 ALA 47 2HB ALA 47 -14.308 -21.049 -2.382 276 H ALA 48 H ALA 48 -10.665 -22.305 -2.009 277 HA ALA 48 HA ALA 48 -9.569 -21.619 0.619 278 HB1 ALA 48 3HB ALA 48 -9.326 -24.025 0.421 279 HB2 ALA 48 1HB ALA 48 -8.669 -23.866 -1.226 280 HB3 ALA 48 2HB ALA 48 -7.732 -23.274 0.166 281 H ILE 49 H ILE 49 -8.749 -19.606 0.282 282 HA ILE 49 HA ILE 49 -8.068 -18.593 -2.206 283 HB ILE 49 HB ILE 49 -7.156 -17.767 0.551 284 HG13 ILE 49 2HG1 ILE 49 -9.665 -17.387 -0.992 285 HG21 ILE 49 1HG2 ILE 49 -6.259 -15.854 -0.289 286 HG22 ILE 49 2HG2 ILE 49 -5.939 -16.936 -1.665 287 HG23 ILE 49 3HG2 ILE 49 -7.335 -15.832 -1.708 288 HD11 ILE 49 3HD1 ILE 49 -8.791 -18.174 1.646 289 HD12 ILE 49 1HD1 ILE 49 -9.829 -16.736 1.793 290 HD13 ILE 49 2HD1 ILE 49 -10.439 -18.195 0.973 291 H THR 50 H THR 50 -6.693 -19.774 -3.499 292 HA THR 50 HA THR 50 -4.419 -21.113 -2.506 293 HB THR 50 HB THR 50 -3.923 -21.286 -4.990 294 HG1 THR 50 1HG THR 50 -5.807 -20.220 -6.230 295 HG21 THR 50 3HG2 THR 50 -6.899 -21.616 -4.339 296 HG22 THR 50 1HG2 THR 50 -6.015 -22.418 -5.660 297 HG23 THR 50 2HG2 THR 50 -5.652 -22.830 -3.967 298 H GLY 51 H GLY 51 -4.731 -18.000 -4.346 299 HA2 GLY 51 1HA GLY 51 -2.489 -16.926 -2.860 300 HA3 GLY 51 2HA GLY 51 -2.162 -17.234 -4.554 301 H TYR 52 H TYR 52 -1.940 -14.978 -5.049 302 HA TYR 52 HA TYR 52 -4.514 -13.672 -5.415 303 HB3 TYR 52 2HB TYR 52 -3.523 -11.592 -4.366 304 HD1 TYR 52 1HD TYR 52 -5.684 -12.724 -3.274 305 HD2 TYR 52 2HD TYR 52 -1.663 -13.349 -1.955 306 HE1 TYR 52 1HE TYR 52 -6.537 -13.435 -0.988 307 HE2 TYR 52 2HE TYR 52 -2.529 -14.058 0.327 308 HH TYR 52 HH TYR 52 -5.876 -13.671 1.184 309 H THR 53 H THR 53 -4.463 -11.993 -7.049 310 HA THR 53 HA THR 53 -2.055 -12.177 -8.738 311 HB THR 53 HB THR 53 -5.026 -11.870 -9.406 312 HG1 THR 53 1HG THR 53 -4.514 -14.052 -9.239 313 HG21 THR 53 3HG2 THR 53 -2.570 -11.257 -10.981 314 HG22 THR 53 1HG2 THR 53 -3.674 -12.412 -11.766 315 HG23 THR 53 2HG2 THR 53 -4.261 -10.797 -11.300 316 H ILE 54 H ILE 54 -1.018 -10.351 -9.385 317 HA ILE 54 HA ILE 54 -2.186 -7.853 -8.373 318 HB ILE 54 HB ILE 54 0.657 -8.814 -8.559 319 HG13 ILE 54 2HG1 ILE 54 -1.269 -8.705 -6.484 320 HG21 ILE 54 1HG2 ILE 54 0.615 -6.184 -7.517 321 HG22 ILE 54 2HG2 ILE 54 1.390 -6.771 -9.007 322 HG23 ILE 54 3HG2 ILE 54 -0.276 -6.149 -9.058 323 HD11 ILE 54 3HD1 ILE 54 0.799 -9.416 -5.120 324 HD12 ILE 54 1HD1 ILE 54 0.403 -10.423 -6.534 325 HD13 ILE 54 2HD1 ILE 54 1.725 -9.234 -6.629 326 H GLN 55 H GLN 55 -2.545 -6.197 -9.797 327 HA GLN 55 HA GLN 55 -1.375 -6.515 -12.439 328 HB3 GLN 55 2HB GLN 55 -3.546 -5.859 -13.477 329 HG3 GLN 55 2HG GLN 55 -4.434 -8.138 -11.792 330 HE21 GLN 55 1HE2 GLN 55 -5.397 -9.686 -13.044 331 HE22 GLN 55 2HE2 GLN 55 -5.717 -9.502 -14.737 332 H LYS 56 H LYS 56 -0.233 -4.696 -12.932 333 HA LYS 56 HA LYS 56 -1.159 -2.192 -11.706 334 HB3 LYS 56 2HB LYS 56 0.952 -2.921 -10.748 335 HG3 LYS 56 2HG LYS 56 2.094 -2.750 -13.573 336 HD3 LYS 56 2HD LYS 56 3.850 -2.321 -12.034 337 HE3 LYS 56 2HE LYS 56 2.730 -2.681 -9.911 338 HZ1 LYS 56 3HZ LYS 56 1.760 -4.606 -9.356 339 HZ2 LYS 56 1HZ LYS 56 1.686 -4.839 -10.971 340 HZ3 LYS 56 2HZ LYS 56 2.868 -5.551 -10.098 341 H ALA 57 H ALA 57 -0.439 -0.204 -13.043 342 HA ALA 57 HA ALA 57 -0.146 -0.695 -15.859 343 HB1 ALA 57 3HB ALA 57 -2.628 -0.997 -15.347 344 HB2 ALA 57 1HB ALA 57 -2.654 0.726 -14.899 345 HB3 ALA 57 2HB ALA 57 -2.233 0.245 -16.560 346 H ASP 58 H ASP 58 0.055 1.444 -17.051 347 HA ASP 58 HA ASP 58 1.349 3.292 -15.237 348 HB3 ASP 58 2HB ASP 58 2.893 3.283 -16.898 349 H LYS 59 H LYS 59 1.112 5.740 -16.024 350 HA LYS 59 HA LYS 59 -1.738 6.210 -16.354 351 HB3 LYS 59 2HB LYS 59 -0.411 8.652 -15.983 352 HG3 LYS 59 2HG LYS 59 -1.201 7.903 -13.457 353 HD3 LYS 59 2HD LYS 59 -3.586 8.597 -14.329 354 HE3 LYS 59 2HE LYS 59 -1.263 10.063 -13.653 355 HZ1 LYS 59 3HZ LYS 59 -1.721 12.011 -15.129 356 HZ2 LYS 59 1HZ LYS 59 -0.913 10.775 -15.827 357 HZ3 LYS 59 2HZ LYS 59 -2.502 10.992 -16.140 358 H LYS 60 H LYS 60 0.060 5.215 -18.568 359 HA LYS 60 HA LYS 60 -0.193 7.538 -20.347 360 HB3 LYS 60 2HB LYS 60 1.636 6.771 -21.578 361 HG3 LYS 60 2HG LYS 60 3.413 6.209 -19.876 362 HD3 LYS 60 2HD LYS 60 1.617 8.280 -18.601 363 HE3 LYS 60 2HE LYS 60 4.569 7.880 -19.136 364 HZ1 LYS 60 3HZ LYS 60 4.972 10.059 -19.152 365 HZ2 LYS 60 1HZ LYS 60 3.463 10.197 -19.760 366 HZ3 LYS 60 2HZ LYS 60 3.727 10.445 -18.168 367 H SER 61 H SER 61 -0.573 3.938 -20.135 368 HA SER 61 HA SER 61 -2.634 4.242 -22.178 369 HB3 SER 61 2HB SER 61 -1.090 1.685 -21.601 370 HG SER 61 HG SER 61 -3.023 1.445 -22.867 371 H MET 62 H MET 62 -1.747 3.204 -18.951 372 HA MET 62 HA MET 62 -2.874 2.393 -17.279 373 HB3 MET 62 2HB MET 62 -5.537 2.548 -17.580 374 HG3 MET 62 2HG MET 62 -5.417 5.043 -17.239 375 HE1 MET 62 3HE MET 62 -6.465 3.722 -15.658 376 HE2 MET 62 1HE MET 62 -5.668 2.299 -14.946 377 HE3 MET 62 2HE MET 62 -5.878 3.779 -13.979 378 H GLU 63 H GLU 63 -1.899 0.478 -19.071 379 HA GLU 63 HA GLU 63 -4.058 -1.359 -19.556 380 HB3 GLU 63 2HB GLU 63 -2.161 -2.778 -20.531 381 HG3 GLU 63 2HG GLU 63 -1.697 -0.397 -22.075 382 H TRP 64 H TRP 64 -4.416 -3.293 -18.430 383 HA TRP 64 HA TRP 64 -2.879 -3.541 -15.951 384 HB3 TRP 64 2HB TRP 64 -4.768 -4.914 -15.183 385 HD1 TRP 64 HD TRP 64 -7.001 -2.469 -16.989 386 HE1 TRP 64 1HE TRP 64 -7.586 -0.359 -15.516 387 HE3 TRP 64 3HE TRP 64 -3.567 -3.400 -13.356 388 HZ2 TRP 64 2HZ TRP 64 -6.569 0.661 -13.051 389 HZ3 TRP 64 3HZ TRP 64 -3.428 -1.798 -11.451 390 HH2 TRP 64 HH TRP 64 -4.857 0.176 -11.264 391 H PHE 65 H PHE 65 -1.129 -4.877 -16.234 392 HA PHE 65 HA PHE 65 -1.600 -7.307 -17.814 393 HB3 PHE 65 2HB PHE 65 1.186 -6.813 -17.561 394 HD1 PHE 65 2HD PHE 65 1.024 -8.410 -19.402 395 HD2 PHE 65 1HD PHE 65 -0.534 -4.481 -19.778 396 HE1 PHE 65 2HE PHE 65 0.899 -8.698 -21.893 397 HE2 PHE 65 1HE PHE 65 -0.660 -4.768 -22.268 398 HZ PHE 65 HZ PHE 65 0.058 -6.873 -23.296 399 H THR 66 H THR 66 -1.755 -9.076 -16.523 400 HA THR 66 HA THR 66 -1.351 -9.261 -13.882 401 HB THR 66 HB THR 66 -0.833 -11.308 -16.097 402 HG1 THR 66 1HG THR 66 -2.982 -10.662 -14.203 403 HG21 THR 66 3HG2 THR 66 -0.179 -12.754 -14.446 404 HG22 THR 66 1HG2 THR 66 -0.498 -11.540 -13.182 405 HG23 THR 66 2HG2 THR 66 -1.818 -12.581 -13.771 406 H VAL 67 H VAL 67 0.239 -9.030 -12.444 407 HA VAL 67 HA VAL 67 2.959 -8.967 -13.512 408 HB VAL 67 HB VAL 67 1.573 -7.788 -11.124 409 HG11 VAL 67 1HG1 VAL 67 4.382 -8.673 -11.285 410 HG12 VAL 67 2HG1 VAL 67 4.172 -6.973 -10.806 411 HG13 VAL 67 3HG1 VAL 67 3.383 -8.266 -9.869 412 HG21 VAL 67 3HG2 VAL 67 1.481 -6.244 -12.829 413 HG22 VAL 67 1HG2 VAL 67 3.031 -5.794 -12.078 414 HG23 VAL 67 2HG2 VAL 67 3.013 -6.786 -13.556 415 H ILE 68 H ILE 68 0.770 -10.647 -11.261 416 HA ILE 68 HA ILE 68 2.574 -12.854 -11.167 417 HB ILE 68 HB ILE 68 3.252 -11.018 -9.372 418 HG13 ILE 68 2HG1 ILE 68 3.867 -13.646 -9.855 419 HG21 ILE 68 1HG2 ILE 68 1.524 -12.686 -7.596 420 HG22 ILE 68 2HG2 ILE 68 2.156 -11.037 -7.370 421 HG23 ILE 68 3HG2 ILE 68 0.781 -11.320 -8.465 422 HD11 ILE 68 3HD1 ILE 68 4.959 -11.381 -8.439 423 HD12 ILE 68 1HD1 ILE 68 5.251 -12.847 -7.474 424 HD13 ILE 68 2HD1 ILE 68 5.826 -12.760 -9.156 425 H GLU 69 H GLU 69 1.533 -14.770 -10.312 426 HA GLU 69 HA GLU 69 -1.281 -14.375 -9.713 427 HB3 GLU 69 2HB GLU 69 -1.657 -16.521 -11.169 428 HG3 GLU 69 2HG GLU 69 -0.931 -14.302 -13.015 429 H HIS 70 H HIS 70 -2.206 -16.008 -8.337 430 HA HIS 70 HA HIS 70 -2.109 -17.329 -6.577 431 HB3 HIS 70 2HB HIS 70 -1.067 -19.561 -6.965 432 HD1 HIS 70 1HD HIS 70 -2.845 -21.140 -7.762 433 HD2 HIS 70 2HD HIS 70 -2.912 -17.494 -9.835 434 HE1 HIS 70 1HE HIS 70 -4.889 -21.222 -9.288 435 H TYR 71 H TYR 71 -0.462 -15.142 -6.226 436 HA TYR 71 HA TYR 71 2.204 -15.729 -5.651 437 HB3 TYR 71 2HB TYR 71 0.398 -13.781 -4.124 438 HD1 TYR 71 1HD TYR 71 3.573 -14.316 -6.028 439 HD2 TYR 71 2HD TYR 71 1.507 -11.980 -3.098 440 HE1 TYR 71 1HE TYR 71 5.732 -13.096 -5.467 441 HE2 TYR 71 2HE TYR 71 3.673 -10.768 -2.548 442 HH TYR 71 HH TYR 71 6.713 -11.862 -3.779 443 H HIS 72 H HIS 72 2.886 -15.077 -3.133 444 HA HIS 72 HA HIS 72 1.563 -17.162 -1.558 445 HB3 HIS 72 2HB HIS 72 4.420 -16.156 -1.515 446 HD1 HIS 72 1HD HIS 72 4.785 -19.366 -0.443 447 HD2 HIS 72 2HD HIS 72 3.071 -16.038 1.449 448 HE1 HIS 72 1HE HIS 72 4.861 -19.849 2.062 449 H ARG 73 H ARG 73 3.745 -14.404 -0.690 450 HA ARG 73 HA ARG 73 2.253 -13.867 1.595 451 HB3 ARG 73 2HB ARG 73 3.687 -11.528 1.104 452 HG3 ARG 73 2HG ARG 73 5.610 -13.292 2.121 453 HD3 ARG 73 2HD ARG 73 3.790 -12.544 4.236 454 HE ARG 73 HE ARG 73 6.515 -12.145 3.572 455 HH11 ARG 73 2HH2 ARG 73 3.912 -10.349 5.115 456 HH12 ARG 73 1HH2 ARG 73 4.974 -9.420 6.119 457 HH21 ARG 73 2HH1 ARG 73 7.918 -10.920 4.897 458 HH22 ARG 73 1HH1 ARG 73 7.269 -9.747 5.994 459 H THR 74 H THR 74 1.807 -11.157 1.825 460 HA THR 74 HA THR 74 -0.182 -10.656 -0.288 461 HB THR 74 HB THR 74 -1.418 -9.454 1.489 462 HG1 THR 74 1HG THR 74 0.730 -10.395 3.228 463 HG21 THR 74 3HG2 THR 74 -1.155 -11.437 3.374 464 HG22 THR 74 1HG2 THR 74 -2.148 -11.616 1.907 465 HG23 THR 74 2HG2 THR 74 -0.492 -12.268 1.946 466 H SER 75 H SER 75 2.916 -9.921 0.327 467 HA SER 75 HA SER 75 2.497 -7.215 -0.654 468 HB3 SER 75 2HB SER 75 3.424 -6.397 1.239 469 HG SER 75 HG SER 75 3.777 -7.695 2.939 470 H ALA 76 H ALA 76 3.862 -6.622 -2.379 471 HA ALA 76 HA ALA 76 6.045 -8.456 -3.020 472 HB1 ALA 76 3HB ALA 76 3.747 -8.936 -4.225 473 HB2 ALA 76 1HB ALA 76 4.190 -7.516 -5.202 474 HB3 ALA 76 2HB ALA 76 5.262 -8.937 -5.161 475 H THR 77 H THR 77 7.818 -7.437 -3.992 476 HA THR 77 HA THR 77 7.660 -4.517 -3.969 477 HB THR 77 HB THR 77 10.037 -6.448 -4.076 478 HG1 THR 77 1HG THR 77 9.474 -6.564 -1.939 479 HG21 THR 77 3HG2 THR 77 9.788 -3.449 -3.506 480 HG22 THR 77 1HG2 THR 77 11.237 -4.412 -3.128 481 HG23 THR 77 2HG2 THR 77 10.721 -4.207 -4.820 482 H ILE 78 H ILE 78 7.212 -3.474 -5.797 483 HA ILE 78 HA ILE 78 7.585 -4.846 -8.302 484 HB ILE 78 HB ILE 78 6.574 -2.057 -7.743 485 HG13 ILE 78 2HG1 ILE 78 4.322 -3.013 -7.853 486 HG21 ILE 78 1HG2 ILE 78 5.507 -2.259 -9.939 487 HG22 ILE 78 2HG2 ILE 78 7.277 -2.396 -10.055 488 HG23 ILE 78 3HG2 ILE 78 6.263 -3.855 -10.163 489 HD11 ILE 78 3HD1 ILE 78 5.665 -5.288 -8.893 490 HD12 ILE 78 1HD1 ILE 78 5.050 -5.775 -7.296 491 HD13 ILE 78 2HD1 ILE 78 3.930 -5.139 -8.524 492 H THR 79 H THR 79 8.785 -3.860 -10.127 493 HA THR 79 HA THR 79 10.904 -2.028 -9.286 494 HB THR 79 HB THR 79 11.834 -4.291 -8.945 495 HG1 THR 79 1HG THR 79 13.404 -3.001 -9.909 496 HG21 THR 79 3HG2 THR 79 10.986 -5.969 -10.272 497 HG22 THR 79 1HG2 THR 79 10.408 -4.814 -11.497 498 HG23 THR 79 2HG2 THR 79 12.103 -5.355 -11.514 499 H GLU 80 H GLU 80 12.394 -2.060 -11.646 500 HA GLU 80 HA GLU 80 12.431 -0.975 -13.535 501 HB3 GLU 80 2HB GLU 80 10.404 -1.816 -15.152 502 HG3 GLU 80 2HG GLU 80 12.482 -3.858 -14.339 503 H LEU 81 H LEU 81 11.240 0.544 -11.499 504 HA LEU 81 HA LEU 81 8.987 1.839 -12.858 505 HB3 LEU 81 2HB LEU 81 8.578 2.864 -10.616 506 HG LEU 81 HG LEU 81 8.475 -0.138 -10.893 507 HD11 LEU 81 1HD1 LEU 81 6.791 0.541 -8.770 508 HD12 LEU 81 2HD1 LEU 81 8.313 -0.377 -8.690 509 HD13 LEU 81 3HD1 LEU 81 8.321 1.384 -8.430 510 HD21 LEU 81 3HD2 LEU 81 6.006 1.403 -10.498 511 HD22 LEU 81 1HD2 LEU 81 6.912 1.841 -11.966 512 HD23 LEU 81 2HD2 LEU 81 6.410 0.155 -11.702 513 H VAL 82 H VAL 82 9.181 3.902 -13.631 514 HA VAL 82 HA VAL 82 11.842 5.040 -13.506 515 HB VAL 82 HB VAL 82 10.733 4.835 -15.648 516 HG11 VAL 82 1HG1 VAL 82 8.562 5.243 -15.983 517 HG12 VAL 82 2HG1 VAL 82 8.413 5.559 -14.238 518 HG13 VAL 82 3HG1 VAL 82 8.720 6.904 -15.363 519 HG21 VAL 82 3HG2 VAL 82 10.537 7.578 -15.939 520 HG22 VAL 82 1HG2 VAL 82 11.590 7.401 -14.515 521 HG23 VAL 82 2HG2 VAL 82 12.032 6.619 -16.052 522 H ILE 83 H ILE 83 12.369 7.025 -12.556 523 HA ILE 83 HA ILE 83 10.550 7.839 -10.477 524 HB ILE 83 HB ILE 83 13.311 8.807 -11.226 525 HG13 ILE 83 2HG1 ILE 83 13.065 6.371 -10.546 526 HG21 ILE 83 1HG2 ILE 83 11.389 9.993 -9.537 527 HG22 ILE 83 2HG2 ILE 83 12.591 9.223 -8.473 528 HG23 ILE 83 3HG2 ILE 83 13.113 10.402 -9.700 529 HD11 ILE 83 3HD1 ILE 83 14.638 7.537 -8.338 530 HD12 ILE 83 1HD1 ILE 83 15.171 6.516 -9.696 531 HD13 ILE 83 2HD1 ILE 83 15.001 8.274 -9.916 532 H GLY 84 H GLY 84 9.059 9.420 -10.655 533 HA2 GLY 84 1HA GLY 84 8.640 11.722 -11.221 534 HA3 GLY 84 2HA GLY 84 9.506 11.483 -12.726 535 H ASN 85 H ASN 85 7.875 8.603 -12.222 536 HA ASN 85 HA ASN 85 5.602 9.598 -13.754 537 HB3 ASN 85 2HB ASN 85 5.647 6.886 -14.268 538 HD21 ASN 85 1HD2 ASN 85 7.039 6.404 -16.369 539 HD22 ASN 85 2HD2 ASN 85 6.969 7.642 -17.578 540 H GLU 86 H GLU 86 3.542 8.234 -13.405 541 HA GLU 86 HA GLU 86 3.538 7.186 -10.680 542 HB3 GLU 86 2HB GLU 86 1.344 8.677 -12.185 543 HG3 GLU 86 2HG GLU 86 0.622 8.466 -9.492 544 H TYR 87 H TYR 87 2.288 5.268 -10.265 545 HA TYR 87 HA TYR 87 1.188 3.962 -12.645 546 HB3 TYR 87 2HB TYR 87 2.377 1.864 -11.708 547 HD1 TYR 87 1HD TYR 87 2.875 2.218 -14.176 548 HD2 TYR 87 2HD TYR 87 5.127 4.116 -11.073 549 HE1 TYR 87 1HE TYR 87 4.765 2.669 -15.815 550 HE2 TYR 87 2HE TYR 87 7.011 4.561 -12.722 551 HH TYR 87 HH TYR 87 7.296 3.010 -15.590 552 H TYR 88 H TYR 88 -0.295 2.157 -12.110 553 HA TYR 88 HA TYR 88 -1.459 2.542 -9.435 554 HB3 TYR 88 2HB TYR 88 -3.515 1.604 -10.877 555 HD1 TYR 88 1HD TYR 88 -3.831 3.564 -9.100 556 HD2 TYR 88 2HD TYR 88 -2.746 4.139 -13.198 557 HE1 TYR 88 1HE TYR 88 -4.680 5.958 -8.996 558 HE2 TYR 88 2HE TYR 88 -3.599 6.530 -13.080 559 HH TYR 88 HH TYR 88 -4.303 8.050 -10.136 560 H PHE 89 H PHE 89 -2.714 0.587 -8.635 561 HA PHE 89 HA PHE 89 -1.716 -1.917 -9.724 562 HB3 PHE 89 2HB PHE 89 -0.874 -2.584 -7.506 563 HD1 PHE 89 2HD PHE 89 -0.610 1.061 -7.065 564 HD2 PHE 89 1HD PHE 89 1.270 -2.438 -8.560 565 HE1 PHE 89 2HE PHE 89 1.544 2.325 -7.313 566 HE2 PHE 89 1HE PHE 89 3.424 -1.174 -8.808 567 HZ PHE 89 HZ PHE 89 3.535 1.192 -8.182 568 H ARG 90 H ARG 90 -2.936 -3.811 -8.927 569 HA ARG 90 HA ARG 90 -5.259 -3.226 -7.375 570 HB3 ARG 90 2HB ARG 90 -6.372 -4.654 -9.555 571 HG3 ARG 90 2HG ARG 90 -6.504 -1.772 -8.610 572 HD3 ARG 90 2HD ARG 90 -6.895 -1.972 -11.162 573 HE ARG 90 HE ARG 90 -8.243 -3.886 -11.528 574 HH11 ARG 90 2HH2 ARG 90 -9.772 -1.710 -9.224 575 HH12 ARG 90 1HH2 ARG 90 -11.303 -2.517 -9.284 576 HH21 ARG 90 2HH1 ARG 90 -10.264 -4.951 -11.607 577 HH22 ARG 90 1HH1 ARG 90 -11.585 -4.372 -10.649 578 H VAL 91 H VAL 91 -5.488 -4.966 -6.000 579 HA VAL 91 HA VAL 91 -4.253 -7.482 -6.838 580 HB VAL 91 HB VAL 91 -5.086 -6.474 -4.110 581 HG11 VAL 91 1HG1 VAL 91 -4.481 -8.457 -3.200 582 HG12 VAL 91 2HG1 VAL 91 -4.837 -9.083 -4.828 583 HG13 VAL 91 3HG1 VAL 91 -3.160 -8.711 -4.365 584 HG21 VAL 91 3HG2 VAL 91 -2.366 -6.620 -5.449 585 HG22 VAL 91 1HG2 VAL 91 -3.238 -5.158 -4.928 586 HG23 VAL 91 2HG2 VAL 91 -2.621 -6.306 -3.716 587 H PHE 92 H PHE 92 -5.436 -9.369 -7.041 588 HA PHE 92 HA PHE 92 -8.319 -9.069 -6.571 589 HB3 PHE 92 2HB PHE 92 -8.500 -10.674 -8.520 590 HD1 PHE 92 2HD PHE 92 -5.579 -8.368 -8.874 591 HD2 PHE 92 1HD PHE 92 -9.575 -9.261 -9.987 592 HE1 PHE 92 2HE PHE 92 -5.567 -6.431 -10.471 593 HE2 PHE 92 1HE PHE 92 -9.564 -7.325 -11.584 594 HZ PHE 92 HZ PHE 92 -7.559 -5.933 -11.807 595 H SER 93 H SER 93 -9.484 -11.089 -6.014 596 HA SER 93 HA SER 93 -7.831 -12.652 -4.258 597 HB3 SER 93 2HB SER 93 -10.057 -13.598 -3.510 598 HG SER 93 HG SER 93 -9.947 -10.703 -3.622 599 H GLU 94 H GLU 94 -7.086 -14.691 -4.758 600 HA GLU 94 HA GLU 94 -8.188 -15.873 -7.175 601 HB3 GLU 94 2HB GLU 94 -5.811 -17.229 -6.241 602 HG3 GLU 94 2HG GLU 94 -4.972 -15.904 -8.424 603 H ASN 95 H ASN 95 -8.581 -18.232 -7.221 604 HA ASN 95 HA ASN 95 -8.375 -19.815 -4.983 605 HB3 ASN 95 2HB ASN 95 -11.297 -19.123 -5.378 606 HD21 ASN 95 1HD2 ASN 95 -10.624 -18.397 -2.354 607 HD22 ASN 95 2HD2 ASN 95 -10.724 -19.931 -1.556 608 H MET 96 H MET 96 -10.511 -21.609 -5.315 609 HA MET 96 HA MET 96 -10.062 -22.440 -8.034 610 HB3 MET 96 2HB MET 96 -9.824 -24.015 -6.064 611 HG3 MET 96 2HG MET 96 -12.776 -24.331 -5.815 612 HE1 MET 96 3HE MET 96 -13.130 -25.202 -2.572 613 HE2 MET 96 1HE MET 96 -13.534 -25.454 -4.288 614 HE3 MET 96 2HE MET 96 -12.559 -26.662 -3.416 615 H CYS 97 H CYS 97 -11.763 -20.087 -7.604 616 HA CYS 97 HA CYS 97 -14.301 -21.218 -8.539 617 HB3 CYS 97 2HB CYS 97 -14.478 -18.503 -7.440 618 HG CYS 97 HG CYS 97 -15.875 -21.278 -6.360 619 H GLY 98 H GLY 98 -12.282 -18.180 -8.485 620 HA2 GLY 98 1HA GLY 98 -11.615 -17.943 -11.079 621 HA3 GLY 98 2HA GLY 98 -13.279 -17.397 -11.089 622 H LEU 99 H LEU 99 -10.582 -15.961 -11.455 623 HA LEU 99 HA LEU 99 -9.805 -14.413 -9.412 624 HB3 LEU 99 2HB LEU 99 -9.953 -12.622 -11.529 625 HG LEU 99 HG LEU 99 -7.676 -13.103 -12.002 626 HD11 LEU 99 1HD1 LEU 99 -7.504 -13.853 -9.156 627 HD12 LEU 99 2HD1 LEU 99 -6.837 -12.450 -10.024 628 HD13 LEU 99 3HD1 LEU 99 -8.540 -12.448 -9.505 629 HD21 LEU 99 3HD2 LEU 99 -7.819 -15.690 -10.449 630 HD22 LEU 99 1HD2 LEU 99 -8.075 -15.607 -12.209 631 HD23 LEU 99 2HD2 LEU 99 -6.519 -15.096 -11.511 632 H SER 100 H SER 100 -10.342 -12.153 -8.755 633 HA SER 100 HA SER 100 -13.138 -12.030 -8.259 634 HB3 SER 100 2HB SER 100 -11.924 -11.320 -6.401 635 HG SER 100 HG SER 100 -10.245 -9.695 -8.114 636 H GLU 101 H GLU 101 -14.638 -10.914 -9.463 637 HA GLU 101 HA GLU 101 -14.043 -9.806 -11.861 638 HB3 GLU 101 2HB GLU 101 -16.352 -8.440 -10.886 639 HG3 GLU 101 2HG GLU 101 -17.148 -10.906 -12.046 640 H ASP 102 H ASP 102 -14.408 -8.159 -8.660 641 HA ASP 102 HA ASP 102 -13.372 -5.760 -9.942 642 HB3 ASP 102 2HB ASP 102 -14.335 -4.515 -8.071 643 H ALA 103 H ALA 103 -11.649 -4.565 -8.736 644 HA ALA 103 HA ALA 103 -10.319 -6.187 -6.685 645 HB1 ALA 103 3HB ALA 103 -8.232 -5.996 -7.753 646 HB2 ALA 103 1HB ALA 103 -9.346 -6.334 -9.100 647 HB3 ALA 103 2HB ALA 103 -8.784 -4.671 -8.805 648 H THR 104 H THR 104 -9.284 -4.984 -5.037 649 HA THR 104 HA THR 104 -10.281 -2.277 -4.802 650 HB THR 104 HB THR 104 -8.870 -4.296 -3.005 651 HG1 THR 104 1HG THR 104 -11.297 -4.078 -3.611 652 HG21 THR 104 3HG2 THR 104 -8.742 -1.408 -2.762 653 HG22 THR 104 1HG2 THR 104 -9.864 -2.032 -1.529 654 HG23 THR 104 2HG2 THR 104 -8.190 -2.633 -1.595 655 H MET 105 H MET 105 -9.242 -0.852 -6.117 656 HA MET 105 HA MET 105 -6.417 -1.053 -6.421 657 HB3 MET 105 2HB MET 105 -8.394 1.140 -7.265 658 HG3 MET 105 2HG MET 105 -6.037 0.592 -8.963 659 HE1 MET 105 3HE MET 105 -7.059 1.684 -10.656 660 HE2 MET 105 1HE MET 105 -7.334 3.435 -10.806 661 HE3 MET 105 2HE MET 105 -5.678 2.806 -10.634 662 H THR 106 H THR 106 -4.816 0.407 -5.641 663 HA THR 106 HA THR 106 -5.097 1.343 -3.081 664 HB THR 106 HB THR 106 -2.986 2.590 -3.621 665 HG1 THR 106 1HG THR 106 -3.889 3.240 -5.780 666 HG21 THR 106 3HG2 THR 106 -3.445 -0.232 -4.216 667 HG22 THR 106 1HG2 THR 106 -2.247 0.440 -5.349 668 HG23 THR 106 2HG2 THR 106 -1.969 0.544 -3.594 669 H LYS 107 H LYS 107 -6.283 2.871 -2.142 670 HA LYS 107 HA LYS 107 -8.018 4.512 -3.356 671 HB3 LYS 107 2HB LYS 107 -6.825 5.879 -1.089 672 HG3 LYS 107 2HG LYS 107 -9.202 4.509 -0.370 673 HD3 LYS 107 2HD LYS 107 -8.720 7.293 -1.527 674 HE3 LYS 107 2HE LYS 107 -11.170 6.092 -0.157 675 HZ1 LYS 107 3HZ LYS 107 -11.753 8.605 -0.707 676 HZ2 LYS 107 1HZ LYS 107 -11.235 8.111 0.760 677 HZ3 LYS 107 2HZ LYS 107 -10.184 8.785 -0.293 678 H GLU 108 H GLU 108 -4.497 4.926 -3.131 679 HA GLU 108 HA GLU 108 -4.824 7.246 -4.854 680 HB3 GLU 108 2HB GLU 108 -4.277 8.135 -2.649 681 HG3 GLU 108 2HG GLU 108 -1.860 6.267 -2.759 682 H SER 109 H SER 109 -2.578 7.771 -5.961 683 HA SER 109 HA SER 109 -1.674 5.241 -6.990 684 HB3 SER 109 2HB SER 109 -2.308 7.066 -8.551 685 HG SER 109 HG SER 109 -1.443 8.829 -7.144 686 H ALA 110 H ALA 110 0.840 5.203 -7.566 687 HA ALA 110 HA ALA 110 2.248 6.068 -5.136 688 HB1 ALA 110 3HB ALA 110 3.044 3.818 -7.010 689 HB2 ALA 110 1HB ALA 110 3.604 4.122 -5.348 690 HB3 ALA 110 2HB ALA 110 1.937 3.571 -5.638 691 H VAL 111 H VAL 111 3.539 7.805 -5.458 692 HA VAL 111 HA VAL 111 4.406 8.376 -8.171 693 HB VAL 111 HB VAL 111 4.438 9.905 -5.569 694 HG11 VAL 111 1HG1 VAL 111 5.076 11.565 -7.828 695 HG12 VAL 111 2HG1 VAL 111 6.007 11.290 -6.335 696 HG13 VAL 111 3HG1 VAL 111 6.240 10.220 -7.739 697 HG21 VAL 111 3HG2 VAL 111 2.716 9.838 -7.993 698 HG22 VAL 111 1HG2 VAL 111 2.307 10.205 -6.299 699 HG23 VAL 111 2HG2 VAL 111 3.078 11.445 -7.318 700 H ILE 112 H ILE 112 6.281 7.520 -8.891 701 HA ILE 112 HA ILE 112 8.122 6.302 -7.158 702 HB ILE 112 HB ILE 112 8.468 7.177 -10.026 703 HG13 ILE 112 2HG1 ILE 112 7.859 4.720 -10.443 704 HG21 ILE 112 1HG2 ILE 112 10.305 5.784 -10.182 705 HG22 ILE 112 2HG2 ILE 112 10.504 6.483 -8.558 706 HG23 ILE 112 3HG2 ILE 112 9.848 4.839 -8.743 707 HD11 ILE 112 3HD1 ILE 112 7.866 4.411 -7.773 708 HD12 ILE 112 1HD1 ILE 112 6.183 4.958 -7.959 709 HD13 ILE 112 2HD1 ILE 112 6.744 3.500 -8.813 710 H ALA 113 H ALA 113 9.970 7.027 -6.163 711 HA ALA 113 HA ALA 113 10.989 9.642 -6.906 712 HB1 ALA 113 3HB ALA 113 9.211 9.271 -4.709 713 HB2 ALA 113 1HB ALA 113 10.837 9.523 -4.031 714 HB3 ALA 113 2HB ALA 113 10.137 10.729 -5.136 715 H ARG 114 H ARG 114 12.947 10.040 -5.126 716 HA ARG 114 HA ARG 114 14.299 7.468 -4.973 717 HB3 ARG 114 2HB ARG 114 15.652 10.132 -5.622 718 HG3 ARG 114 2HG ARG 114 16.568 7.221 -5.759 719 HD3 ARG 114 2HD ARG 114 17.418 9.534 -7.296 720 HE ARG 114 HE ARG 114 19.006 9.351 -5.033 721 HH11 ARG 114 2HH2 ARG 114 19.547 8.716 -8.452 722 HH12 ARG 114 1HH2 ARG 114 21.234 9.107 -8.389 723 HH21 ARG 114 2HH1 ARG 114 21.231 9.867 -4.949 724 HH22 ARG 114 1HH1 ARG 114 22.198 9.766 -6.383 725 H ASP 115 H ASP 115 14.376 7.049 -2.774 726 HA ASP 115 HA ASP 115 15.622 9.074 -1.147 727 HB3 ASP 115 2HB ASP 115 13.372 7.731 0.237 728 H GLY 116 H GLY 116 16.224 8.044 1.082 729 HA2 GLY 116 1HA GLY 116 16.263 5.114 1.053 730 HA3 GLY 116 2HA GLY 116 17.801 5.955 1.035 731 H LYS 117 H LYS 117 17.364 4.333 3.180 732 HA LYS 117 HA LYS 117 17.358 4.272 5.385 733 HB3 LYS 117 2HB LYS 117 17.458 7.240 5.694 734 HG3 LYS 117 2HG LYS 117 19.702 5.840 6.771 735 HD3 LYS 117 2HD LYS 117 17.348 6.364 8.535 736 HE3 LYS 117 2HE LYS 117 20.268 6.508 8.605 737 HZ1 LYS 117 3HZ LYS 117 19.131 8.952 8.537 738 HZ2 LYS 117 1HZ LYS 117 19.262 8.666 10.139 739 HZ3 LYS 117 2HZ LYS 117 20.587 8.601 9.188 740 H ILE 118 H ILE 118 15.990 4.584 7.312 741 HA ILE 118 HA ILE 118 14.046 4.826 8.333 742 HB ILE 118 HB ILE 118 14.373 7.215 6.942 743 HG13 ILE 118 2HG1 ILE 118 13.751 6.491 9.433 744 HG21 ILE 118 1HG2 ILE 118 12.010 7.845 6.412 745 HG22 ILE 118 2HG2 ILE 118 12.732 6.664 5.292 746 HG23 ILE 118 3HG2 ILE 118 11.579 6.123 6.536 747 HD11 ILE 118 3HD1 ILE 118 14.549 8.746 8.598 748 HD12 ILE 118 1HD1 ILE 118 12.853 9.154 8.247 749 HD13 ILE 118 2HD1 ILE 118 13.364 8.844 9.922 750 H TYR 119 H TYR 119 12.699 3.119 8.278 751 HA TYR 119 HA TYR 119 11.733 2.245 5.665 752 HB3 TYR 119 2HB TYR 119 10.929 0.371 7.485 753 HD1 TYR 119 1HD TYR 119 14.494 1.537 7.246 754 HD2 TYR 119 2HD TYR 119 11.612 -1.457 6.231 755 HE1 TYR 119 1HE TYR 119 16.318 0.140 6.158 756 HE2 TYR 119 2HE TYR 119 13.446 -2.845 5.146 757 HH TYR 119 HH TYR 119 16.532 -1.558 4.496 758 H LYS 120 H LYS 120 10.703 4.622 7.440 759 HA LYS 120 HA LYS 120 8.753 5.549 7.898 760 HB3 LYS 120 2HB LYS 120 7.411 3.408 6.236 761 HG3 LYS 120 2HG LYS 120 6.276 5.768 5.556 762 HD3 LYS 120 2HD LYS 120 5.102 5.011 8.103 763 HE3 LYS 120 2HE LYS 120 3.927 3.777 5.714 764 HZ1 LYS 120 3HZ LYS 120 3.155 5.159 7.955 765 HZ2 LYS 120 1HZ LYS 120 2.643 6.059 6.692 766 HZ3 LYS 120 2HZ LYS 120 2.184 4.498 6.820 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -20.828 -25.434 35.269 2 HA2 GLY 1 1HA GLY 1 -20.030 -23.992 32.842 3 HA3 GLY 1 2HA GLY 1 -18.803 -24.348 34.041 4 H SER 2 H SER 2 -20.187 -25.461 31.213 5 HA SER 2 HA SER 2 -18.878 -27.940 31.455 6 HB3 SER 2 2HB SER 2 -21.586 -28.683 30.712 7 HG SER 2 HG SER 2 -21.225 -30.062 32.707 8 H SER 3 H SER 3 -18.822 -29.083 29.340 9 HA SER 3 HA SER 3 -19.233 -27.177 27.221 10 HB3 SER 3 2HB SER 3 -18.117 -29.431 26.052 11 HG SER 3 HG SER 3 -17.365 -26.975 26.529 12 H GLY 4 H GLY 4 -20.061 -28.136 25.032 13 HA2 GLY 4 1HA GLY 4 -22.152 -30.163 25.510 14 HA3 GLY 4 2HA GLY 4 -22.542 -28.629 24.760 15 H SER 5 H SER 5 -22.825 -28.905 22.590 16 HA SER 5 HA SER 5 -20.942 -30.701 21.276 17 HB3 SER 5 2HB SER 5 -23.308 -31.432 21.147 18 HG SER 5 HG SER 5 -23.675 -28.752 20.421 19 H SER 6 H SER 6 -19.718 -29.909 19.537 20 HA SER 6 HA SER 6 -19.838 -27.055 19.215 21 HB3 SER 6 2HB SER 6 -17.813 -27.993 17.545 22 HG SER 6 HG SER 6 -18.016 -26.869 20.099 23 H GLY 7 H GLY 7 -20.134 -25.994 17.153 24 HA2 GLY 7 1HA GLY 7 -22.125 -26.823 15.529 25 HA3 GLY 7 2HA GLY 7 -20.824 -25.767 15.013 26 H ALA 8 H ALA 8 -22.412 -28.652 14.336 27 HA ALA 8 HA ALA 8 -20.090 -29.608 12.815 28 HB1 ALA 8 3HB ALA 8 -20.543 -31.851 13.405 29 HB2 ALA 8 1HB ALA 8 -20.707 -30.959 14.937 30 HB3 ALA 8 2HB ALA 8 -22.160 -31.452 14.036 31 H SER 9 H SER 9 -20.755 -30.909 10.868 32 HA SER 9 HA SER 9 -21.871 -31.135 9.022 33 HB3 SER 9 2HB SER 9 -24.555 -30.424 10.132 34 HG SER 9 HG SER 9 -25.145 -31.932 8.725 35 H ILE 10 H ILE 10 -21.934 -29.716 7.303 36 HA ILE 10 HA ILE 10 -22.026 -26.939 7.823 37 HB ILE 10 HB ILE 10 -21.821 -26.737 5.387 38 HG13 ILE 10 2HG1 ILE 10 -23.211 -29.055 5.196 39 HG21 ILE 10 1HG2 ILE 10 -19.773 -26.903 6.497 40 HG22 ILE 10 2HG2 ILE 10 -20.011 -28.624 6.885 41 HG23 ILE 10 3HG2 ILE 10 -19.668 -28.128 5.210 42 HD11 ILE 10 3HD1 ILE 10 -22.851 -27.417 3.375 43 HD12 ILE 10 1HD1 ILE 10 -21.169 -27.974 3.198 44 HD13 ILE 10 2HD1 ILE 10 -22.515 -29.070 2.804 45 H ASP 11 H ASP 11 -23.542 -25.426 6.584 46 HA ASP 11 HA ASP 11 -26.160 -26.615 6.263 47 HB3 ASP 11 2HB ASP 11 -26.405 -25.818 8.482 48 H ILE 12 H ILE 12 -27.378 -25.520 4.618 49 HA ILE 12 HA ILE 12 -27.420 -24.439 2.647 50 HB ILE 12 HB ILE 12 -27.200 -22.244 4.703 51 HG13 ILE 12 2HG1 ILE 12 -29.075 -24.080 4.680 52 HG21 ILE 12 1HG2 ILE 12 -27.346 -20.668 3.145 53 HG22 ILE 12 2HG2 ILE 12 -26.969 -21.919 1.936 54 HG23 ILE 12 3HG2 ILE 12 -28.664 -21.524 2.309 55 HD11 ILE 12 3HD1 ILE 12 -29.849 -22.556 6.165 56 HD12 ILE 12 1HD1 ILE 12 -29.013 -21.236 5.313 57 HD13 ILE 12 2HD1 ILE 12 -30.648 -21.725 4.808 58 H GLN 13 H GLN 13 -25.538 -25.197 1.579 59 HA GLN 13 HA GLN 13 -23.194 -23.522 1.921 60 HB3 GLN 13 2HB GLN 13 -22.481 -25.739 2.055 61 HG3 GLN 13 2HG GLN 13 -24.760 -26.255 0.151 62 HE21 GLN 13 1HE2 GLN 13 -23.771 -29.085 1.306 63 HE22 GLN 13 2HE2 GLN 13 -22.817 -29.707 0.001 64 H ILE 14 H ILE 14 -22.922 -21.838 0.529 65 HA ILE 14 HA ILE 14 -23.917 -22.214 -2.207 66 HB ILE 14 HB ILE 14 -23.952 -19.524 -0.906 67 HG13 ILE 14 2HG1 ILE 14 -25.115 -21.029 0.676 68 HG21 ILE 14 1HG2 ILE 14 -24.669 -20.610 -3.424 69 HG22 ILE 14 2HG2 ILE 14 -26.174 -20.114 -2.612 70 HG23 ILE 14 3HG2 ILE 14 -24.856 -18.939 -2.842 71 HD11 ILE 14 3HD1 ILE 14 -25.924 -18.705 0.393 72 HD12 ILE 14 1HD1 ILE 14 -26.952 -19.222 -0.966 73 HD13 ILE 14 2HD1 ILE 14 -27.288 -19.812 0.680 74 H ILE 15 H ILE 15 -21.967 -22.704 -3.178 75 HA ILE 15 HA ILE 15 -19.618 -21.212 -2.472 76 HB ILE 15 HB ILE 15 -20.200 -23.352 -4.515 77 HG13 ILE 15 2HG1 ILE 15 -20.198 -23.906 -2.036 78 HG21 ILE 15 1HG2 ILE 15 -18.471 -22.211 -5.560 79 HG22 ILE 15 2HG2 ILE 15 -17.702 -21.750 -4.022 80 HG23 ILE 15 3HG2 ILE 15 -17.611 -23.434 -4.594 81 HD11 ILE 15 3HD1 ILE 15 -17.997 -25.203 -3.704 82 HD12 ILE 15 1HD1 ILE 15 -18.891 -25.942 -2.354 83 HD13 ILE 15 2HD1 ILE 15 -19.730 -25.570 -3.878 84 H ASP 16 H ASP 16 -18.532 -19.665 -3.742 85 HA ASP 16 HA ASP 16 -19.413 -18.995 -6.301 86 HB3 ASP 16 2HB ASP 16 -19.978 -16.738 -4.386 87 H ARG 17 H ARG 17 -17.912 -17.423 -7.234 88 HA ARG 17 HA ARG 17 -15.422 -17.404 -6.357 89 HB3 ARG 17 2HB ARG 17 -15.185 -15.150 -7.618 90 HG3 ARG 17 2HG ARG 17 -15.789 -17.773 -8.561 91 HD3 ARG 17 2HD ARG 17 -17.333 -15.564 -9.979 92 HE ARG 17 HE ARG 17 -17.061 -18.142 -11.348 93 HH11 ARG 17 2HH2 ARG 17 -15.763 -14.886 -11.041 94 HH12 ARG 17 1HH2 ARG 17 -15.042 -14.887 -12.616 95 HH21 ARG 17 2HH1 ARG 17 -16.110 -18.144 -13.426 96 HH22 ARG 17 1HH1 ARG 17 -15.241 -16.754 -13.982 97 HA PRO 18 HA PRO 18 -15.230 -14.768 -2.886 98 HB3 PRO 18 2HB PRO 18 -13.227 -15.677 -2.208 99 HG3 PRO 18 2HG PRO 18 -12.023 -16.711 -3.881 100 HD3 PRO 18 2HD PRO 18 -13.718 -17.221 -5.348 101 H GLY 19 H GLY 19 -14.453 -12.570 -2.035 102 HA2 GLY 19 1HA GLY 19 -15.105 -10.683 -4.185 103 HA3 GLY 19 2HA GLY 19 -15.208 -10.399 -2.459 104 HA PRO 20 HA PRO 20 -11.260 -8.649 -3.945 105 HB3 PRO 20 2HB PRO 20 -11.990 -6.695 -4.920 106 HG3 PRO 20 2HG PRO 20 -14.218 -6.217 -4.569 107 HD3 PRO 20 2HD PRO 20 -15.030 -8.330 -4.168 108 HA PRO 21 HA PRO 21 -9.403 -8.375 -0.135 109 HB3 PRO 21 2HB PRO 21 -7.268 -8.246 -0.987 110 HG3 PRO 21 2HG PRO 21 -7.131 -7.356 -3.111 111 HD3 PRO 21 2HD PRO 21 -9.249 -7.806 -3.880 112 H GLN 22 H GLN 22 -9.517 -7.518 1.915 113 HA GLN 22 HA GLN 22 -11.422 -5.734 2.397 114 HB3 GLN 22 2HB GLN 22 -9.723 -5.123 4.456 115 HG3 GLN 22 2HG GLN 22 -10.732 -7.936 4.483 116 HE21 GLN 22 1HE2 GLN 22 -9.238 -7.363 6.342 117 HE22 GLN 22 2HE2 GLN 22 -9.965 -6.704 7.770 118 H ILE 23 H ILE 23 -7.891 -4.885 2.140 119 HA ILE 23 HA ILE 23 -8.618 -2.383 0.912 120 HB ILE 23 HB ILE 23 -8.684 -2.190 3.510 121 HG13 ILE 23 2HG1 ILE 23 -9.035 -0.202 2.446 122 HG21 ILE 23 1HG2 ILE 23 -6.455 -3.300 3.793 123 HG22 ILE 23 2HG2 ILE 23 -5.710 -1.858 3.062 124 HG23 ILE 23 3HG2 ILE 23 -6.609 -1.716 4.592 125 HD11 ILE 23 3HD1 ILE 23 -7.507 0.190 4.439 126 HD12 ILE 23 1HD1 ILE 23 -6.140 0.234 3.300 127 HD13 ILE 23 2HD1 ILE 23 -7.427 1.458 3.192 128 H VAL 24 H VAL 24 -6.695 -1.277 0.004 129 HA VAL 24 HA VAL 24 -4.337 -3.002 -0.094 130 HB VAL 24 HB VAL 24 -5.870 -1.918 -2.463 131 HG11 VAL 24 1HG1 VAL 24 -3.413 -1.650 -2.734 132 HG12 VAL 24 2HG1 VAL 24 -3.218 -3.398 -2.462 133 HG13 VAL 24 3HG1 VAL 24 -4.117 -2.813 -3.883 134 HG21 VAL 24 3HG2 VAL 24 -6.127 -4.335 -1.075 135 HG22 VAL 24 1HG2 VAL 24 -6.749 -3.960 -2.701 136 HG23 VAL 24 2HG2 VAL 24 -5.160 -4.739 -2.514 137 H LYS 25 H LYS 25 -2.690 -1.776 0.653 138 HA LYS 25 HA LYS 25 -2.663 1.034 -0.194 139 HB3 LYS 25 2HB LYS 25 -3.295 1.094 2.093 140 HG3 LYS 25 2HG LYS 25 -1.328 -1.161 2.330 141 HD3 LYS 25 2HD LYS 25 -1.142 1.171 4.017 142 HE3 LYS 25 2HE LYS 25 -3.041 -0.613 5.076 143 HZ1 LYS 25 3HZ LYS 25 -2.007 -1.850 6.639 144 HZ2 LYS 25 1HZ LYS 25 -0.847 -1.915 5.492 145 HZ3 LYS 25 2HZ LYS 25 -0.694 -0.887 6.751 146 H ILE 26 H ILE 26 -0.306 1.948 0.124 147 HA ILE 26 HA ILE 26 1.500 -0.116 -0.929 148 HB ILE 26 HB ILE 26 1.320 2.842 -1.495 149 HG13 ILE 26 2HG1 ILE 26 0.095 0.594 -2.695 150 HG21 ILE 26 1HG2 ILE 26 3.679 1.475 -1.305 151 HG22 ILE 26 2HG2 ILE 26 3.268 1.254 -3.024 152 HG23 ILE 26 3HG2 ILE 26 3.393 2.893 -2.343 153 HD11 ILE 26 3HD1 ILE 26 -0.522 3.132 -2.577 154 HD12 ILE 26 1HD1 ILE 26 0.491 3.288 -4.031 155 HD13 ILE 26 2HD1 ILE 26 -0.942 2.233 -4.055 156 H GLU 27 H GLU 27 2.785 -0.839 0.690 157 HA GLU 27 HA GLU 27 3.208 0.310 3.062 158 HB3 GLU 27 2HB GLU 27 5.688 -0.932 2.130 159 HG3 GLU 27 2HG GLU 27 4.468 -2.789 3.697 160 H ASP 28 H ASP 28 5.124 0.867 0.044 161 HA ASP 28 HA ASP 28 5.608 3.498 0.622 162 HB3 ASP 28 2HB ASP 28 8.256 2.150 0.917 163 H VAL 29 H VAL 29 7.740 4.217 -0.815 164 HA VAL 29 HA VAL 29 8.136 2.356 -3.015 165 HB VAL 29 HB VAL 29 6.312 3.433 -3.926 166 HG11 VAL 29 1HG1 VAL 29 5.741 5.767 -3.687 167 HG12 VAL 29 2HG1 VAL 29 6.070 5.092 -2.072 168 HG13 VAL 29 3HG1 VAL 29 7.290 6.109 -2.877 169 HG21 VAL 29 3HG2 VAL 29 7.129 4.828 -5.711 170 HG22 VAL 29 1HG2 VAL 29 8.584 5.255 -4.778 171 HG23 VAL 29 2HG2 VAL 29 8.359 3.589 -5.362 172 H TRP 30 H TRP 30 10.275 2.289 -3.471 173 HA TRP 30 HA TRP 30 11.819 4.732 -2.959 174 HB3 TRP 30 2HB TRP 30 12.198 3.292 -1.072 175 HD1 TRP 30 HD TRP 30 14.619 1.073 -2.909 176 HE1 TRP 30 1HE TRP 30 13.972 -1.480 -2.756 177 HE3 TRP 30 3HE TRP 30 9.959 1.829 -1.021 178 HZ2 TRP 30 2HZ TRP 30 11.635 -2.866 -1.882 179 HZ3 TRP 30 3HZ TRP 30 8.559 -0.178 -0.546 180 HH2 TRP 30 HH TRP 30 9.329 -2.464 -0.946 181 H GLY 31 H GLY 31 13.650 4.981 -4.410 182 HA2 GLY 31 1HA GLY 31 14.408 4.999 -6.550 183 HA3 GLY 31 2HA GLY 31 14.730 3.313 -6.200 184 H GLU 32 H GLU 32 13.920 1.885 -7.664 185 HA GLU 32 HA GLU 32 11.542 2.754 -9.111 186 HB3 GLU 32 2HB GLU 32 12.332 1.189 -10.922 187 HG3 GLU 32 2HG GLU 32 14.440 3.230 -10.069 188 H ASN 33 H ASN 33 11.657 1.404 -6.441 189 HA ASN 33 HA ASN 33 10.259 -1.025 -7.242 190 HB3 ASN 33 2HB ASN 33 11.073 -2.102 -5.157 191 HD21 ASN 33 1HD2 ASN 33 13.664 0.150 -5.860 192 HD22 ASN 33 2HD2 ASN 33 14.655 -0.906 -6.811 193 H VAL 34 H VAL 34 8.210 -1.299 -6.220 194 HA VAL 34 HA VAL 34 7.505 0.780 -4.264 195 HB VAL 34 HB VAL 34 6.162 -0.258 -6.696 196 HG11 VAL 34 1HG1 VAL 34 3.922 0.499 -5.702 197 HG12 VAL 34 2HG1 VAL 34 4.541 -1.091 -5.196 198 HG13 VAL 34 3HG1 VAL 34 4.698 0.312 -4.111 199 HG21 VAL 34 3HG2 VAL 34 5.550 2.380 -5.440 200 HG22 VAL 34 1HG2 VAL 34 7.197 2.127 -6.067 201 HG23 VAL 34 2HG2 VAL 34 5.795 1.951 -7.150 202 H ALA 35 H ALA 35 5.989 0.130 -2.571 203 HA ALA 35 HA ALA 35 6.089 -2.774 -2.110 204 HB1 ALA 35 3HB ALA 35 6.572 -0.393 -0.337 205 HB2 ALA 35 1HB ALA 35 5.868 -1.864 0.374 206 HB3 ALA 35 2HB ALA 35 7.453 -1.937 -0.432 207 H LEU 36 H LEU 36 4.128 -3.734 -2.212 208 HA LEU 36 HA LEU 36 1.791 -2.007 -1.853 209 HB3 LEU 36 2HB LEU 36 0.662 -4.078 -2.922 210 HG LEU 36 HG LEU 36 2.512 -2.265 -4.482 211 HD11 LEU 36 1HD1 LEU 36 0.387 -3.975 -5.759 212 HD12 LEU 36 2HD1 LEU 36 1.727 -3.086 -6.520 213 HD13 LEU 36 3HD1 LEU 36 2.059 -4.552 -5.567 214 HD21 LEU 36 3HD2 LEU 36 0.878 -0.779 -4.323 215 HD22 LEU 36 1HD2 LEU 36 -0.265 -1.925 -5.063 216 HD23 LEU 36 2HD2 LEU 36 -0.042 -1.905 -3.297 217 H THR 37 H THR 37 0.031 -2.700 -0.496 218 HA THR 37 HA THR 37 0.496 -5.003 1.201 219 HB THR 37 HB THR 37 0.089 -3.312 3.217 220 HG1 THR 37 1HG THR 37 1.113 -1.809 0.921 221 HG21 THR 37 3HG2 THR 37 2.283 -4.589 2.701 222 HG22 THR 37 1HG2 THR 37 2.788 -3.144 1.793 223 HG23 THR 37 2HG2 THR 37 2.473 -3.030 3.541 224 H TRP 38 H TRP 38 -1.356 -6.083 0.948 225 HA TRP 38 HA TRP 38 -3.820 -4.486 1.123 226 HB3 TRP 38 2HB TRP 38 -3.569 -5.236 -1.137 227 HD1 TRP 38 HD TRP 38 -4.515 -8.786 -0.047 228 HE1 TRP 38 1HE TRP 38 -2.845 -10.579 -1.024 229 HE3 TRP 38 3HE TRP 38 -1.140 -5.433 -1.842 230 HZ2 TRP 38 2HZ TRP 38 -0.356 -10.399 -2.408 231 HZ3 TRP 38 3HZ TRP 38 0.883 -6.326 -2.993 232 HH2 TRP 38 HH TRP 38 1.301 -8.715 -3.289 233 H THR 39 H THR 39 -5.584 -5.548 2.284 234 HA THR 39 HA THR 39 -4.559 -7.407 4.288 235 HB THR 39 HB THR 39 -6.829 -6.757 5.353 236 HG1 THR 39 1HG THR 39 -7.697 -4.803 4.224 237 HG21 THR 39 3HG2 THR 39 -5.055 -5.462 6.260 238 HG22 THR 39 1HG2 THR 39 -4.649 -4.748 4.681 239 HG23 THR 39 2HG2 THR 39 -6.109 -4.216 5.549 240 HA PRO 40 HA PRO 40 -6.726 -10.796 2.802 241 HB3 PRO 40 2HB PRO 40 -5.836 -12.192 4.402 242 HG3 PRO 40 2HG PRO 40 -5.160 -11.133 6.336 243 HD3 PRO 40 2HD PRO 40 -4.799 -9.009 5.533 244 HA PRO 41 HA PRO 41 -10.944 -10.350 2.655 245 HB3 PRO 41 2HB PRO 41 -11.221 -11.929 1.002 246 HG3 PRO 41 2HG PRO 41 -9.576 -13.544 0.929 247 HD3 PRO 41 2HD PRO 41 -7.847 -12.412 1.935 248 H LYS 42 H LYS 42 -12.745 -9.988 3.878 249 HA LYS 42 HA LYS 42 -12.463 -11.045 6.567 250 HB3 LYS 42 2HB LYS 42 -14.731 -9.276 6.091 251 HG3 LYS 42 2HG LYS 42 -12.185 -8.707 7.649 252 HD3 LYS 42 2HD LYS 42 -14.189 -7.056 7.423 253 HE3 LYS 42 2HE LYS 42 -15.447 -8.676 9.630 254 HZ1 LYS 42 3HZ LYS 42 -17.266 -7.602 7.943 255 HZ2 LYS 42 1HZ LYS 42 -16.768 -6.946 9.354 256 HZ3 LYS 42 2HZ LYS 42 -16.071 -6.489 7.948 257 H ASP 43 H ASP 43 -13.927 -11.928 3.635 258 HA ASP 43 HA ASP 43 -15.487 -13.865 5.023 259 HB3 ASP 43 2HB ASP 43 -16.944 -12.187 2.955 260 H ASP 44 H ASP 44 -14.238 -15.459 3.904 261 HA ASP 44 HA ASP 44 -13.695 -15.182 1.151 262 HB3 ASP 44 2HB ASP 44 -12.093 -16.472 2.282 263 H GLY 45 H GLY 45 -15.920 -17.159 3.224 264 HA2 GLY 45 1HA GLY 45 -18.131 -17.628 2.530 265 HA3 GLY 45 2HA GLY 45 -17.607 -17.636 0.857 266 H ASN 46 H ASN 46 -16.458 -19.476 -0.012 267 HA ASN 46 HA ASN 46 -16.365 -21.749 1.795 268 HB3 ASN 46 2HB ASN 46 -17.051 -22.977 -0.563 269 HD21 ASN 46 1HD2 ASN 46 -19.806 -21.201 0.111 270 HD22 ASN 46 2HD2 ASN 46 -20.524 -22.191 1.338 271 H ALA 47 H ALA 47 -15.698 -20.590 -1.602 272 HA ALA 47 HA ALA 47 -13.630 -22.320 -2.179 273 HB1 ALA 47 3HB ALA 47 -14.907 -20.031 -3.313 274 HB2 ALA 47 1HB ALA 47 -13.151 -19.745 -3.371 275 HB3 ALA 47 2HB ALA 47 -13.841 -21.207 -4.118 276 H ALA 48 H ALA 48 -11.778 -22.665 -1.065 277 HA ALA 48 HA ALA 48 -10.810 -20.828 0.833 278 HB1 ALA 48 3HB ALA 48 -8.921 -22.418 0.982 279 HB2 ALA 48 1HB ALA 48 -10.485 -23.268 0.967 280 HB3 ALA 48 2HB ALA 48 -9.482 -23.222 -0.503 281 H ILE 49 H ILE 49 -9.194 -19.274 0.733 282 HA ILE 49 HA ILE 49 -8.685 -18.133 -1.776 283 HB ILE 49 HB ILE 49 -7.329 -17.704 0.889 284 HG13 ILE 49 2HG1 ILE 49 -8.906 -15.971 1.297 285 HG21 ILE 49 1HG2 ILE 49 -7.424 -15.405 -0.863 286 HG22 ILE 49 2HG2 ILE 49 -6.034 -16.163 -0.048 287 HG23 ILE 49 3HG2 ILE 49 -6.570 -16.761 -1.637 288 HD11 ILE 49 3HD1 ILE 49 -9.473 -16.299 -1.617 289 HD12 ILE 49 1HD1 ILE 49 -10.887 -15.998 -0.580 290 HD13 ILE 49 2HD1 ILE 49 -9.537 -14.839 -0.602 291 H THR 50 H THR 50 -7.477 -19.024 -3.358 292 HA THR 50 HA THR 50 -5.419 -20.924 -2.694 293 HB THR 50 HB THR 50 -6.476 -19.717 -5.303 294 HG1 THR 50 1HG THR 50 -6.675 -22.249 -3.829 295 HG21 THR 50 3HG2 THR 50 -4.275 -20.554 -5.854 296 HG22 THR 50 1HG2 THR 50 -4.446 -21.929 -4.738 297 HG23 THR 50 2HG2 THR 50 -5.397 -21.880 -6.242 298 H GLY 51 H GLY 51 -5.626 -17.509 -3.741 299 HA2 GLY 51 1HA GLY 51 -3.106 -16.876 -2.680 300 HA3 GLY 51 2HA GLY 51 -2.919 -17.165 -4.398 301 H TYR 52 H TYR 52 -2.513 -15.002 -5.004 302 HA TYR 52 HA TYR 52 -4.853 -13.395 -5.315 303 HB3 TYR 52 2HB TYR 52 -3.713 -11.463 -4.028 304 HD1 TYR 52 1HD TYR 52 -6.079 -11.707 -3.230 305 HD2 TYR 52 2HD TYR 52 -2.899 -14.112 -1.678 306 HE1 TYR 52 1HE TYR 52 -7.513 -12.319 -1.221 307 HE2 TYR 52 2HE TYR 52 -4.343 -14.717 0.326 308 HH TYR 52 HH TYR 52 -6.248 -14.484 1.303 309 H THR 53 H THR 53 -4.657 -12.429 -7.274 310 HA THR 53 HA THR 53 -1.996 -12.327 -8.459 311 HB THR 53 HB THR 53 -4.854 -12.016 -9.508 312 HG1 THR 53 1HG THR 53 -3.689 -14.131 -8.852 313 HG21 THR 53 3HG2 THR 53 -2.887 -10.695 -10.749 314 HG22 THR 53 1HG2 THR 53 -2.400 -12.329 -11.260 315 HG23 THR 53 2HG2 THR 53 -4.011 -11.705 -11.692 316 H ILE 54 H ILE 54 -1.106 -10.438 -9.435 317 HA ILE 54 HA ILE 54 -2.332 -7.946 -8.508 318 HB ILE 54 HB ILE 54 0.541 -8.791 -8.134 319 HG13 ILE 54 2HG1 ILE 54 -1.778 -8.906 -6.449 320 HG21 ILE 54 1HG2 ILE 54 1.075 -6.651 -8.460 321 HG22 ILE 54 2HG2 ILE 54 -0.629 -6.135 -8.468 322 HG23 ILE 54 3HG2 ILE 54 0.237 -6.324 -6.924 323 HD11 ILE 54 3HD1 ILE 54 0.279 -9.603 -4.843 324 HD12 ILE 54 1HD1 ILE 54 -0.321 -10.676 -6.131 325 HD13 ILE 54 2HD1 ILE 54 1.123 -9.673 -6.408 326 H GLN 55 H GLN 55 -2.009 -6.151 -9.892 327 HA GLN 55 HA GLN 55 -0.454 -6.669 -12.270 328 HB3 GLN 55 2HB GLN 55 -2.367 -5.839 -13.714 329 HG3 GLN 55 2HG GLN 55 -3.285 -8.301 -12.211 330 HE21 GLN 55 1HE2 GLN 55 -3.389 -10.063 -14.040 331 HE22 GLN 55 2HE2 GLN 55 -4.232 -9.585 -15.475 332 H LYS 56 H LYS 56 0.340 -4.744 -13.275 333 HA LYS 56 HA LYS 56 -0.192 -2.324 -11.697 334 HB3 LYS 56 2HB LYS 56 2.119 -3.335 -11.549 335 HG3 LYS 56 2HG LYS 56 2.473 -2.170 -14.337 336 HD3 LYS 56 2HD LYS 56 4.131 -3.837 -12.415 337 HE3 LYS 56 2HE LYS 56 4.120 -3.898 -15.406 338 HZ1 LYS 56 3HZ LYS 56 6.281 -2.835 -14.082 339 HZ2 LYS 56 1HZ LYS 56 6.708 -4.362 -14.471 340 HZ3 LYS 56 2HZ LYS 56 6.218 -3.329 -15.637 341 H ALA 57 H ALA 57 -0.571 -0.357 -12.796 342 HA ALA 57 HA ALA 57 -0.828 -0.594 -15.705 343 HB1 ALA 57 3HB ALA 57 -3.068 -0.689 -15.406 344 HB2 ALA 57 1HB ALA 57 -2.949 -0.216 -13.695 345 HB3 ALA 57 2HB ALA 57 -2.944 1.030 -14.965 346 H ASP 58 H ASP 58 -0.162 1.228 -16.829 347 HA ASP 58 HA ASP 58 1.200 3.163 -15.227 348 HB3 ASP 58 2HB ASP 58 1.214 3.925 -17.982 349 H LYS 59 H LYS 59 0.942 5.602 -16.036 350 HA LYS 59 HA LYS 59 -1.910 6.158 -16.021 351 HB3 LYS 59 2HB LYS 59 -0.373 8.543 -15.922 352 HG3 LYS 59 2HG LYS 59 -1.127 8.347 -13.432 353 HD3 LYS 59 2HD LYS 59 -3.689 8.175 -14.449 354 HE3 LYS 59 2HE LYS 59 -2.231 10.153 -13.399 355 HZ1 LYS 59 3HZ LYS 59 -1.847 11.817 -15.073 356 HZ2 LYS 59 1HZ LYS 59 -0.955 10.490 -15.404 357 HZ3 LYS 59 2HZ LYS 59 -2.307 10.799 -16.265 358 H LYS 60 H LYS 60 -0.367 5.066 -18.413 359 HA LYS 60 HA LYS 60 -0.724 7.347 -20.218 360 HB3 LYS 60 2HB LYS 60 0.613 5.969 -21.811 361 HG3 LYS 60 2HG LYS 60 1.478 7.387 -19.495 362 HD3 LYS 60 2HD LYS 60 2.450 4.648 -19.478 363 HE3 LYS 60 2HE LYS 60 4.913 5.944 -19.089 364 HZ1 LYS 60 3HZ LYS 60 4.552 4.772 -21.656 365 HZ2 LYS 60 1HZ LYS 60 5.527 4.310 -20.430 366 HZ3 LYS 60 2HZ LYS 60 3.963 3.841 -20.450 367 H SER 61 H SER 61 -1.647 3.928 -19.578 368 HA SER 61 HA SER 61 -3.905 4.407 -21.351 369 HB3 SER 61 2HB SER 61 -3.634 1.738 -21.663 370 HG SER 61 HG SER 61 -2.151 2.326 -23.546 371 H MET 62 H MET 62 -2.454 2.601 -18.591 372 HA MET 62 HA MET 62 -3.305 1.820 -16.748 373 HB3 MET 62 2HB MET 62 -5.981 2.661 -16.536 374 HG3 MET 62 2HG MET 62 -3.718 4.590 -15.948 375 HE1 MET 62 3HE MET 62 -7.128 2.860 -13.639 376 HE2 MET 62 1HE MET 62 -5.506 2.196 -13.952 377 HE3 MET 62 2HE MET 62 -5.782 3.243 -12.539 378 H GLU 63 H GLU 63 -3.652 0.417 -19.371 379 HA GLU 63 HA GLU 63 -6.179 -0.903 -19.087 380 HB3 GLU 63 2HB GLU 63 -4.904 -2.320 -21.031 381 HG3 GLU 63 2HG GLU 63 -5.642 0.191 -22.233 382 H TRP 64 H TRP 64 -3.551 -1.053 -17.233 383 HA TRP 64 HA TRP 64 -2.488 -2.587 -16.030 384 HB3 TRP 64 2HB TRP 64 -3.832 -4.300 -15.028 385 HD1 TRP 64 HD TRP 64 -6.748 -2.112 -16.255 386 HE1 TRP 64 1HE TRP 64 -7.537 -0.424 -14.385 387 HE3 TRP 64 3HE TRP 64 -2.930 -3.075 -13.037 388 HZ2 TRP 64 2HZ TRP 64 -6.499 0.302 -11.828 389 HZ3 TRP 64 3HZ TRP 64 -2.892 -1.834 -10.876 390 HH2 TRP 64 HH TRP 64 -4.595 -0.194 -10.251 391 H PHE 65 H PHE 65 -2.141 -5.274 -15.978 392 HA PHE 65 HA PHE 65 -2.166 -6.478 -18.535 393 HB3 PHE 65 2HB PHE 65 0.531 -6.533 -18.363 394 HD1 PHE 65 2HD PHE 65 -0.777 -6.531 -20.684 395 HD2 PHE 65 1HD PHE 65 0.334 -3.053 -18.522 396 HE1 PHE 65 2HE PHE 65 -0.902 -5.180 -22.796 397 HE2 PHE 65 1HE PHE 65 0.210 -1.702 -20.634 398 HZ PHE 65 HZ PHE 65 -0.408 -2.781 -22.745 399 H THR 66 H THR 66 0.606 -6.765 -16.303 400 HA THR 66 HA THR 66 -0.559 -8.742 -14.643 401 HB THR 66 HB THR 66 0.969 -9.584 -17.134 402 HG1 THR 66 1HG THR 66 -1.368 -10.333 -15.534 403 HG21 THR 66 3HG2 THR 66 0.736 -11.918 -15.777 404 HG22 THR 66 1HG2 THR 66 2.219 -10.936 -15.691 405 HG23 THR 66 2HG2 THR 66 1.009 -10.834 -14.390 406 H VAL 67 H VAL 67 0.876 -9.461 -12.984 407 HA VAL 67 HA VAL 67 3.535 -8.279 -13.045 408 HB VAL 67 HB VAL 67 1.383 -7.652 -11.025 409 HG11 VAL 67 1HG1 VAL 67 4.151 -8.110 -10.500 410 HG12 VAL 67 2HG1 VAL 67 3.849 -6.361 -10.366 411 HG13 VAL 67 3HG1 VAL 67 2.894 -7.507 -9.394 412 HG21 VAL 67 3HG2 VAL 67 1.572 -6.234 -13.083 413 HG22 VAL 67 1HG2 VAL 67 1.840 -5.350 -11.561 414 HG23 VAL 67 2HG2 VAL 67 3.226 -5.809 -12.579 415 H ILE 68 H ILE 68 1.060 -10.236 -11.273 416 HA ILE 68 HA ILE 68 2.960 -12.364 -11.021 417 HB ILE 68 HB ILE 68 3.180 -10.537 -9.064 418 HG13 ILE 68 2HG1 ILE 68 3.937 -13.270 -9.510 419 HG21 ILE 68 1HG2 ILE 68 2.012 -11.353 -7.058 420 HG22 ILE 68 2HG2 ILE 68 0.885 -10.751 -8.298 421 HG23 ILE 68 3HG2 ILE 68 1.101 -12.503 -8.066 422 HD11 ILE 68 3HD1 ILE 68 5.618 -11.583 -9.486 423 HD12 ILE 68 1HD1 ILE 68 5.014 -10.886 -7.964 424 HD13 ILE 68 2HD1 ILE 68 5.852 -12.456 -7.952 425 H GLU 69 H GLU 69 1.919 -14.351 -10.813 426 HA GLU 69 HA GLU 69 -0.944 -14.194 -10.330 427 HB3 GLU 69 2HB GLU 69 -1.343 -15.802 -12.187 428 HG3 GLU 69 2HG GLU 69 -0.067 -14.019 -13.953 429 H HIS 70 H HIS 70 -1.671 -15.734 -8.895 430 HA HIS 70 HA HIS 70 -1.739 -17.579 -7.687 431 HB3 HIS 70 2HB HIS 70 -0.555 -19.557 -8.252 432 HD1 HIS 70 1HD HIS 70 -2.623 -20.207 -9.607 433 HD2 HIS 70 2HD HIS 70 -0.050 -17.603 -11.657 434 HE1 HIS 70 1HE HIS 70 -3.462 -20.121 -12.015 435 H TYR 71 H TYR 71 -0.823 -15.402 -6.484 436 HA TYR 71 HA TYR 71 1.806 -15.922 -5.372 437 HB3 TYR 71 2HB TYR 71 -0.188 -13.800 -4.474 438 HD1 TYR 71 1HD TYR 71 3.204 -14.210 -6.052 439 HD2 TYR 71 2HD TYR 71 0.848 -12.344 -3.006 440 HE1 TYR 71 1HE TYR 71 5.273 -13.029 -5.165 441 HE2 TYR 71 2HE TYR 71 2.925 -11.169 -2.130 442 HH TYR 71 HH TYR 71 6.046 -11.560 -3.775 443 H HIS 72 H HIS 72 1.812 -15.240 -2.820 444 HA HIS 72 HA HIS 72 -0.302 -16.835 -1.572 445 HB3 HIS 72 2HB HIS 72 1.388 -18.357 -1.384 446 HD1 HIS 72 1HD HIS 72 2.878 -17.091 -3.539 447 HD2 HIS 72 2HD HIS 72 4.280 -16.889 0.409 448 HE1 HIS 72 1HE HIS 72 5.376 -16.593 -3.692 449 H ARG 73 H ARG 73 2.559 -14.871 -0.489 450 HA ARG 73 HA ARG 73 1.380 -13.872 1.722 451 HB3 ARG 73 2HB ARG 73 3.105 -11.903 0.305 452 HG3 ARG 73 2HG ARG 73 2.588 -12.672 2.949 453 HD3 ARG 73 2HD ARG 73 5.415 -13.090 3.116 454 HE ARG 73 HE ARG 73 2.997 -14.378 4.066 455 HH11 ARG 73 2HH2 ARG 73 6.454 -14.885 3.646 456 HH12 ARG 73 1HH2 ARG 73 6.567 -16.053 4.921 457 HH21 ARG 73 2HH1 ARG 73 3.146 -15.917 5.748 458 HH22 ARG 73 1HH1 ARG 73 4.672 -16.643 6.124 459 H THR 74 H THR 74 1.076 -11.242 1.968 460 HA THR 74 HA THR 74 -0.899 -10.513 -0.092 461 HB THR 74 HB THR 74 -2.133 -9.441 1.704 462 HG1 THR 74 1HG THR 74 0.179 -10.205 3.336 463 HG21 THR 74 3HG2 THR 74 -1.190 -11.632 3.460 464 HG22 THR 74 1HG2 THR 74 -2.818 -11.339 2.802 465 HG23 THR 74 2HG2 THR 74 -1.604 -12.193 1.822 466 H SER 75 H SER 75 2.218 -10.054 0.367 467 HA SER 75 HA SER 75 1.990 -7.285 -0.451 468 HB3 SER 75 2HB SER 75 2.908 -6.543 1.475 469 HG SER 75 HG SER 75 2.243 -8.700 2.408 470 H ALA 76 H ALA 76 3.465 -6.727 -2.101 471 HA ALA 76 HA ALA 76 5.667 -8.523 -2.649 472 HB1 ALA 76 3HB ALA 76 3.543 -8.002 -4.761 473 HB2 ALA 76 1HB ALA 76 4.956 -9.076 -4.880 474 HB3 ALA 76 2HB ALA 76 3.615 -9.488 -3.785 475 H THR 77 H THR 77 7.364 -7.455 -3.685 476 HA THR 77 HA THR 77 6.997 -4.574 -3.922 477 HB THR 77 HB THR 77 9.437 -6.427 -3.903 478 HG1 THR 77 1HG THR 77 9.145 -6.037 -1.745 479 HG21 THR 77 3HG2 THR 77 9.152 -3.576 -4.612 480 HG22 THR 77 1HG2 THR 77 10.178 -3.808 -3.176 481 HG23 THR 77 2HG2 THR 77 10.592 -4.616 -4.706 482 H ILE 78 H ILE 78 6.974 -3.429 -5.780 483 HA ILE 78 HA ILE 78 6.944 -5.008 -8.214 484 HB ILE 78 HB ILE 78 6.279 -2.099 -7.747 485 HG13 ILE 78 2HG1 ILE 78 4.042 -2.666 -7.449 486 HG21 ILE 78 1HG2 ILE 78 4.966 -2.507 -9.919 487 HG22 ILE 78 2HG2 ILE 78 6.731 -2.307 -10.029 488 HG23 ILE 78 3HG2 ILE 78 6.012 -3.932 -10.125 489 HD11 ILE 78 3HD1 ILE 78 3.905 -4.303 -9.345 490 HD12 ILE 78 1HD1 ILE 78 4.708 -5.515 -8.320 491 HD13 ILE 78 2HD1 ILE 78 3.100 -4.897 -7.873 492 H THR 79 H THR 79 8.057 -4.031 -10.195 493 HA THR 79 HA THR 79 10.487 -2.569 -9.498 494 HB THR 79 HB THR 79 11.721 -4.370 -10.944 495 HG1 THR 79 1HG THR 79 9.962 -5.594 -11.695 496 HG21 THR 79 3HG2 THR 79 10.534 -5.141 -8.225 497 HG22 THR 79 1HG2 THR 79 11.876 -5.997 -9.021 498 HG23 THR 79 2HG2 THR 79 12.086 -4.312 -8.491 499 H GLU 80 H GLU 80 11.785 -2.561 -11.888 500 HA GLU 80 HA GLU 80 11.782 -1.283 -13.671 501 HB3 GLU 80 2HB GLU 80 9.721 -2.217 -15.284 502 HG3 GLU 80 2HG GLU 80 11.981 -4.114 -14.986 503 H LEU 81 H LEU 81 11.122 0.676 -12.455 504 HA LEU 81 HA LEU 81 8.524 1.617 -13.421 505 HB3 LEU 81 2HB LEU 81 8.117 2.714 -11.275 506 HG LEU 81 HG LEU 81 8.536 -0.276 -11.071 507 HD11 LEU 81 1HD1 LEU 81 8.659 0.386 -8.830 508 HD12 LEU 81 2HD1 LEU 81 7.441 1.667 -9.041 509 HD13 LEU 81 3HD1 LEU 81 6.949 -0.044 -9.069 510 HD21 LEU 81 3HD2 LEU 81 6.035 1.397 -11.441 511 HD22 LEU 81 1HD2 LEU 81 6.847 0.421 -12.688 512 HD23 LEU 81 2HD2 LEU 81 6.097 -0.375 -11.284 513 H VAL 82 H VAL 82 8.673 3.532 -14.477 514 HA VAL 82 HA VAL 82 11.247 4.726 -14.727 515 HB VAL 82 HB VAL 82 9.748 4.557 -16.605 516 HG11 VAL 82 1HG1 VAL 82 7.775 5.453 -14.714 517 HG12 VAL 82 2HG1 VAL 82 7.791 6.551 -16.114 518 HG13 VAL 82 3HG1 VAL 82 7.546 4.805 -16.355 519 HG21 VAL 82 3HG2 VAL 82 10.896 7.051 -15.680 520 HG22 VAL 82 1HG2 VAL 82 10.830 6.373 -17.324 521 HG23 VAL 82 2HG2 VAL 82 9.478 7.354 -16.711 522 H ILE 83 H ILE 83 12.030 6.638 -13.848 523 HA ILE 83 HA ILE 83 10.691 7.504 -11.465 524 HB ILE 83 HB ILE 83 13.279 8.273 -12.809 525 HG13 ILE 83 2HG1 ILE 83 13.036 5.989 -11.747 526 HG21 ILE 83 1HG2 ILE 83 13.234 9.150 -10.111 527 HG22 ILE 83 2HG2 ILE 83 13.375 10.123 -11.593 528 HG23 ILE 83 3HG2 ILE 83 11.770 9.782 -10.902 529 HD11 ILE 83 3HD1 ILE 83 15.091 6.598 -10.082 530 HD12 ILE 83 1HD1 ILE 83 15.281 6.514 -11.850 531 HD13 ILE 83 2HD1 ILE 83 15.056 8.090 -11.053 532 H GLY 84 H GLY 84 9.466 9.321 -11.163 533 HA2 GLY 84 1HA GLY 84 8.712 11.451 -11.619 534 HA3 GLY 84 2HA GLY 84 9.510 11.424 -13.179 535 H ASN 85 H ASN 85 7.635 8.583 -12.267 536 HA ASN 85 HA ASN 85 5.438 9.582 -13.896 537 HB3 ASN 85 2HB ASN 85 5.597 6.743 -14.249 538 HD21 ASN 85 1HD2 ASN 85 5.959 6.209 -16.536 539 HD22 ASN 85 2HD2 ASN 85 5.569 7.382 -17.750 540 H GLU 86 H GLU 86 3.449 7.938 -13.584 541 HA GLU 86 HA GLU 86 3.475 7.102 -10.788 542 HB3 GLU 86 2HB GLU 86 0.974 7.980 -12.268 543 HG3 GLU 86 2HG GLU 86 1.826 7.650 -9.367 544 H TYR 87 H TYR 87 1.684 5.374 -10.339 545 HA TYR 87 HA TYR 87 1.078 3.730 -12.647 546 HB3 TYR 87 2HB TYR 87 2.157 1.764 -11.333 547 HD1 TYR 87 2HD TYR 87 2.897 1.789 -13.758 548 HD2 TYR 87 1HD TYR 87 4.818 4.141 -10.744 549 HE1 TYR 87 2HE TYR 87 4.934 2.057 -15.255 550 HE2 TYR 87 1HE TYR 87 6.848 4.401 -12.252 551 HH TYR 87 HH TYR 87 7.100 2.619 -15.258 552 H TYR 88 H TYR 88 -0.167 1.669 -11.836 553 HA TYR 88 HA TYR 88 -1.647 2.296 -9.389 554 HB3 TYR 88 2HB TYR 88 -3.630 1.396 -11.011 555 HD1 TYR 88 1HD TYR 88 -3.626 3.361 -8.975 556 HD2 TYR 88 2HD TYR 88 -3.194 3.958 -13.189 557 HE1 TYR 88 1HE TYR 88 -4.510 5.734 -8.737 558 HE2 TYR 88 2HE TYR 88 -4.078 6.328 -12.937 559 HH TYR 88 HH TYR 88 -5.331 7.466 -9.855 560 H PHE 89 H PHE 89 -2.251 0.499 -8.193 561 HA PHE 89 HA PHE 89 -1.556 -2.081 -9.414 562 HB3 PHE 89 2HB PHE 89 -0.897 -2.721 -7.087 563 HD1 PHE 89 1HD PHE 89 1.023 -2.516 -8.860 564 HD2 PHE 89 2HD PHE 89 -0.055 0.567 -6.152 565 HE1 PHE 89 1HE PHE 89 3.292 -1.477 -9.139 566 HE2 PHE 89 2HE PHE 89 2.213 1.606 -6.430 567 HZ PHE 89 HZ PHE 89 3.859 0.572 -7.922 568 H ARG 90 H ARG 90 -2.826 -3.952 -8.675 569 HA ARG 90 HA ARG 90 -5.208 -3.331 -7.220 570 HB3 ARG 90 2HB ARG 90 -6.407 -4.713 -9.264 571 HG3 ARG 90 2HG ARG 90 -5.999 -1.719 -9.554 572 HD3 ARG 90 2HD ARG 90 -8.335 -1.736 -10.184 573 HE ARG 90 HE ARG 90 -6.592 -3.680 -11.510 574 HH11 ARG 90 2HH2 ARG 90 -9.772 -2.176 -11.537 575 HH12 ARG 90 1HH2 ARG 90 -10.047 -2.490 -13.218 576 HH21 ARG 90 2HH1 ARG 90 -6.954 -4.097 -13.728 577 HH22 ARG 90 1HH1 ARG 90 -8.433 -3.591 -14.472 578 H VAL 91 H VAL 91 -5.619 -5.064 -5.867 579 HA VAL 91 HA VAL 91 -4.233 -7.559 -6.487 580 HB VAL 91 HB VAL 91 -5.464 -6.469 -3.950 581 HG11 VAL 91 1HG1 VAL 91 -3.729 -8.931 -4.107 582 HG12 VAL 91 2HG1 VAL 91 -4.818 -8.400 -2.802 583 HG13 VAL 91 3HG1 VAL 91 -5.492 -9.035 -4.323 584 HG21 VAL 91 3HG2 VAL 91 -2.557 -6.909 -4.712 585 HG22 VAL 91 1HG2 VAL 91 -3.388 -5.336 -4.660 586 HG23 VAL 91 2HG2 VAL 91 -3.160 -6.272 -3.164 587 H PHE 92 H PHE 92 -5.310 -9.466 -6.895 588 HA PHE 92 HA PHE 92 -8.241 -9.287 -6.798 589 HB3 PHE 92 2HB PHE 92 -8.142 -10.759 -8.833 590 HD1 PHE 92 2HD PHE 92 -5.041 -8.748 -9.058 591 HD2 PHE 92 1HD PHE 92 -9.171 -8.987 -10.000 592 HE1 PHE 92 2HE PHE 92 -4.817 -6.740 -10.547 593 HE2 PHE 92 1HE PHE 92 -8.948 -6.979 -11.490 594 HZ PHE 92 HZ PHE 92 -6.773 -5.881 -11.746 595 H SER 93 H SER 93 -9.214 -10.767 -5.496 596 HA SER 93 HA SER 93 -7.682 -12.577 -4.055 597 HB3 SER 93 2HB SER 93 -9.960 -13.493 -3.357 598 HG SER 93 HG SER 93 -9.813 -10.602 -3.347 599 H GLU 94 H GLU 94 -6.646 -14.309 -4.998 600 HA GLU 94 HA GLU 94 -7.726 -15.507 -7.327 601 HB3 GLU 94 2HB GLU 94 -5.607 -17.035 -5.981 602 HG3 GLU 94 2HG GLU 94 -4.525 -15.837 -8.230 603 H ASN 95 H ASN 95 -8.034 -17.967 -7.475 604 HA ASN 95 HA ASN 95 -8.468 -19.481 -5.221 605 HB3 ASN 95 2HB ASN 95 -11.202 -19.060 -6.286 606 HD21 ASN 95 1HD2 ASN 95 -10.221 -17.501 -3.382 607 HD22 ASN 95 2HD2 ASN 95 -10.704 -18.714 -2.245 608 H MET 96 H MET 96 -10.184 -21.418 -5.961 609 HA MET 96 HA MET 96 -9.062 -22.447 -8.303 610 HB3 MET 96 2HB MET 96 -9.888 -23.851 -6.414 611 HG3 MET 96 2HG MET 96 -12.732 -23.237 -7.290 612 HE1 MET 96 3HE MET 96 -10.351 -23.395 -4.410 613 HE2 MET 96 1HE MET 96 -11.763 -23.166 -3.349 614 HE3 MET 96 2HE MET 96 -10.907 -24.727 -3.367 615 H CYS 97 H CYS 97 -11.885 -20.451 -7.652 616 HA CYS 97 HA CYS 97 -13.302 -21.172 -9.997 617 HB3 CYS 97 2HB CYS 97 -14.540 -20.277 -8.146 618 HG CYS 97 HG CYS 97 -13.296 -17.308 -8.642 619 H GLY 98 H GLY 98 -11.068 -18.509 -8.982 620 HA2 GLY 98 1HA GLY 98 -9.589 -18.136 -11.138 621 HA3 GLY 98 2HA GLY 98 -11.082 -17.396 -11.681 622 H LEU 99 H LEU 99 -10.773 -15.201 -11.594 623 HA LEU 99 HA LEU 99 -9.516 -14.146 -9.164 624 HB3 LEU 99 2HB LEU 99 -9.313 -12.065 -10.667 625 HG LEU 99 HG LEU 99 -7.256 -12.733 -11.685 626 HD11 LEU 99 1HD1 LEU 99 -6.036 -13.599 -9.812 627 HD12 LEU 99 2HD1 LEU 99 -7.334 -12.548 -9.198 628 HD13 LEU 99 3HD1 LEU 99 -7.510 -14.317 -9.116 629 HD21 LEU 99 3HD2 LEU 99 -8.407 -14.967 -12.516 630 HD22 LEU 99 1HD2 LEU 99 -6.641 -14.833 -12.336 631 HD23 LEU 99 2HD2 LEU 99 -7.607 -15.635 -11.074 632 H SER 100 H SER 100 -10.405 -11.848 -8.589 633 HA SER 100 HA SER 100 -13.216 -12.236 -8.245 634 HB3 SER 100 2HB SER 100 -12.254 -11.433 -6.278 635 HG SER 100 HG SER 100 -10.825 -9.334 -7.631 636 H GLU 101 H GLU 101 -14.835 -11.210 -9.398 637 HA GLU 101 HA GLU 101 -14.416 -10.073 -11.774 638 HB3 GLU 101 2HB GLU 101 -16.692 -8.767 -10.502 639 HG3 GLU 101 2HG GLU 101 -17.373 -11.109 -12.060 640 H ASP 102 H ASP 102 -14.577 -8.381 -8.588 641 HA ASP 102 HA ASP 102 -13.708 -5.977 -9.983 642 HB3 ASP 102 2HB ASP 102 -14.558 -4.721 -8.062 643 H ALA 103 H ALA 103 -11.938 -4.714 -8.912 644 HA ALA 103 HA ALA 103 -10.398 -6.306 -6.984 645 HB1 ALA 103 3HB ALA 103 -9.626 -5.208 -9.657 646 HB2 ALA 103 1HB ALA 103 -8.429 -5.071 -8.347 647 HB3 ALA 103 2HB ALA 103 -9.058 -6.670 -8.814 648 H THR 104 H THR 104 -9.329 -5.103 -5.365 649 HA THR 104 HA THR 104 -10.378 -2.405 -5.057 650 HB THR 104 HB THR 104 -8.898 -4.372 -3.237 651 HG1 THR 104 1HG THR 104 -11.117 -4.240 -2.280 652 HG21 THR 104 3HG2 THR 104 -10.130 -2.508 -1.609 653 HG22 THR 104 1HG2 THR 104 -8.394 -2.482 -2.003 654 HG23 THR 104 2HG2 THR 104 -9.531 -1.469 -2.925 655 H MET 105 H MET 105 -9.323 -0.771 -5.994 656 HA MET 105 HA MET 105 -6.506 -1.062 -6.452 657 HB3 MET 105 2HB MET 105 -8.332 1.338 -7.009 658 HG3 MET 105 2HG MET 105 -6.178 0.569 -8.909 659 HE1 MET 105 3HE MET 105 -7.411 1.866 -10.513 660 HE2 MET 105 1HE MET 105 -7.190 3.627 -10.652 661 HE3 MET 105 2HE MET 105 -5.771 2.555 -10.606 662 H THR 106 H THR 106 -4.856 0.333 -5.608 663 HA THR 106 HA THR 106 -5.080 1.009 -2.944 664 HB THR 106 HB THR 106 -2.962 2.384 -3.529 665 HG1 THR 106 1HG THR 106 -3.850 2.754 -5.764 666 HG21 THR 106 3HG2 THR 106 -3.346 -0.514 -4.381 667 HG22 THR 106 1HG2 THR 106 -1.781 0.301 -4.618 668 HG23 THR 106 2HG2 THR 106 -2.449 0.115 -2.978 669 H LYS 107 H LYS 107 -6.141 2.523 -1.843 670 HA LYS 107 HA LYS 107 -7.840 4.321 -2.888 671 HB3 LYS 107 2HB LYS 107 -6.611 5.485 -0.554 672 HG3 LYS 107 2HG LYS 107 -8.885 4.192 0.290 673 HD3 LYS 107 2HD LYS 107 -8.344 6.823 -1.057 674 HE3 LYS 107 2HE LYS 107 -11.071 5.551 -0.752 675 HZ1 LYS 107 3HZ LYS 107 -12.013 7.698 -0.571 676 HZ2 LYS 107 1HZ LYS 107 -10.969 7.532 0.674 677 HZ3 LYS 107 2HZ LYS 107 -10.559 8.440 -0.620 678 H GLU 108 H GLU 108 -4.305 4.553 -2.730 679 HA GLU 108 HA GLU 108 -4.561 7.038 -4.220 680 HB3 GLU 108 2HB GLU 108 -2.486 7.871 -3.042 681 HG3 GLU 108 2HG GLU 108 -5.007 7.264 -1.446 682 H SER 109 H SER 109 -2.573 7.511 -5.578 683 HA SER 109 HA SER 109 -1.671 5.012 -6.673 684 HB3 SER 109 2HB SER 109 -2.345 6.479 -8.379 685 HG SER 109 HG SER 109 -1.251 8.482 -6.681 686 H ALA 110 H ALA 110 0.797 5.206 -7.574 687 HA ALA 110 HA ALA 110 2.412 6.187 -5.319 688 HB1 ALA 110 3HB ALA 110 2.427 3.569 -6.820 689 HB2 ALA 110 1HB ALA 110 3.933 4.189 -6.100 690 HB3 ALA 110 2HB ALA 110 2.519 3.866 -5.067 691 H VAL 111 H VAL 111 3.800 7.772 -5.908 692 HA VAL 111 HA VAL 111 4.461 7.946 -8.762 693 HB VAL 111 HB VAL 111 5.187 10.302 -7.392 694 HG11 VAL 111 1HG1 VAL 111 2.878 9.640 -9.246 695 HG12 VAL 111 2HG1 VAL 111 3.361 11.292 -8.790 696 HG13 VAL 111 3HG1 VAL 111 4.487 10.253 -9.697 697 HG21 VAL 111 3HG2 VAL 111 3.776 9.692 -5.521 698 HG22 VAL 111 1HG2 VAL 111 2.993 11.001 -6.438 699 HG23 VAL 111 2HG2 VAL 111 2.420 9.325 -6.613 700 H ILE 112 H ILE 112 6.540 7.627 -9.410 701 HA ILE 112 HA ILE 112 8.444 6.921 -7.364 702 HB ILE 112 HB ILE 112 8.740 6.953 -10.368 703 HG13 ILE 112 2HG1 ILE 112 8.261 4.502 -10.196 704 HG21 ILE 112 1HG2 ILE 112 10.435 5.995 -8.104 705 HG22 ILE 112 2HG2 ILE 112 10.405 5.042 -9.606 706 HG23 ILE 112 3HG2 ILE 112 10.897 6.752 -9.648 707 HD11 ILE 112 3HD1 ILE 112 8.427 4.933 -7.447 708 HD12 ILE 112 1HD1 ILE 112 6.673 4.852 -7.735 709 HD13 ILE 112 2HD1 ILE 112 7.718 3.499 -8.227 710 H ALA 113 H ALA 113 10.031 8.207 -6.561 711 HA ALA 113 HA ALA 113 10.659 10.636 -8.080 712 HB1 ALA 113 3HB ALA 113 10.669 11.901 -5.965 713 HB2 ALA 113 1HB ALA 113 9.065 11.194 -6.272 714 HB3 ALA 113 2HB ALA 113 10.155 10.443 -5.082 715 H ARG 114 H ARG 114 11.736 7.717 -7.172 716 HA ARG 114 HA ARG 114 13.701 6.843 -6.955 717 HB3 ARG 114 2HB ARG 114 14.891 9.649 -7.242 718 HG3 ARG 114 2HG ARG 114 16.374 7.461 -8.465 719 HD3 ARG 114 2HD ARG 114 16.857 9.645 -6.426 720 HE ARG 114 HE ARG 114 18.425 7.177 -6.607 721 HH11 ARG 114 2HH2 ARG 114 18.555 10.627 -5.924 722 HH12 ARG 114 1HH2 ARG 114 19.992 10.512 -4.964 723 HH21 ARG 114 2HH1 ARG 114 20.323 7.026 -5.342 724 HH22 ARG 114 1HH1 ARG 114 21.005 8.451 -4.632 725 H ASP 115 H ASP 115 12.150 8.270 -4.691 726 HA ASP 115 HA ASP 115 14.039 7.681 -2.686 727 HB3 ASP 115 2HB ASP 115 13.026 10.551 -2.719 728 H GLY 116 H GLY 116 12.946 7.866 -0.472 729 HA2 GLY 116 1HA GLY 116 10.122 7.290 -0.711 730 HA3 GLY 116 2HA GLY 116 11.128 7.166 0.717 731 H LYS 117 H LYS 117 8.417 8.469 0.244 732 HA LYS 117 HA LYS 117 9.161 11.076 1.356 733 HB3 LYS 117 2HB LYS 117 8.571 11.739 -0.790 734 HG3 LYS 117 2HG LYS 117 6.779 9.341 -0.690 735 HD3 LYS 117 2HD LYS 117 5.228 11.346 -1.055 736 HE3 LYS 117 2HE LYS 117 5.841 11.750 -3.827 737 HZ1 LYS 117 3HZ LYS 117 4.878 13.204 -1.933 738 HZ2 LYS 117 1HZ LYS 117 6.418 13.727 -1.783 739 HZ3 LYS 117 2HZ LYS 117 5.630 13.904 -3.202 740 H ILE 118 H ILE 118 7.531 11.980 2.819 741 HA ILE 118 HA ILE 118 6.102 11.831 4.495 742 HB ILE 118 HB ILE 118 4.886 10.126 2.422 743 HG13 ILE 118 2HG1 ILE 118 4.559 12.723 3.526 744 HG21 ILE 118 1HG2 ILE 118 2.972 9.710 4.208 745 HG22 ILE 118 2HG2 ILE 118 4.302 8.554 3.968 746 HG23 ILE 118 3HG2 ILE 118 4.356 9.701 5.328 747 HD11 ILE 118 3HD1 ILE 118 4.275 12.589 1.220 748 HD12 ILE 118 1HD1 ILE 118 3.390 11.047 1.313 749 HD13 ILE 118 2HD1 ILE 118 2.572 12.570 1.736 750 H TYR 119 H TYR 119 6.063 10.894 6.543 751 HA TYR 119 HA TYR 119 8.050 9.025 7.104 752 HB3 TYR 119 2HB TYR 119 6.089 8.981 9.166 753 HD1 TYR 119 2HD TYR 119 8.666 8.491 9.713 754 HD2 TYR 119 1HD TYR 119 6.978 12.377 9.124 755 HE1 TYR 119 2HE TYR 119 10.584 9.530 11.019 756 HE2 TYR 119 1HE TYR 119 8.902 13.403 10.433 757 HH TYR 119 HH TYR 119 11.709 11.842 11.028 758 H LYS 120 H LYS 120 6.856 7.234 8.963 759 HA LYS 120 HA LYS 120 6.332 5.066 7.368 760 HB3 LYS 120 2HB LYS 120 5.127 5.180 10.102 761 HG3 LYS 120 2HG LYS 120 7.031 3.134 9.868 762 HD3 LYS 120 2HD LYS 120 4.840 1.765 9.236 763 HE3 LYS 120 2HE LYS 120 4.959 3.413 11.807 764 HZ1 LYS 120 3HZ LYS 120 4.127 0.840 12.194 765 HZ2 LYS 120 1HZ LYS 120 3.212 2.189 12.293 766 HZ3 LYS 120 2HZ LYS 120 3.288 1.354 10.890 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 7.514 -24.060 16.549 2 HA2 GLY 1 1HA GLY 1 6.252 -22.036 15.628 3 HA3 GLY 1 2HA GLY 1 6.667 -22.714 14.066 4 H SER 2 H SER 2 4.072 -22.388 15.878 5 HA SER 2 HA SER 2 2.929 -24.808 14.911 6 HB3 SER 2 2HB SER 2 1.927 -25.256 17.298 7 HG SER 2 HG SER 2 3.891 -26.512 17.865 8 H SER 3 H SER 3 0.495 -24.764 15.168 9 HA SER 3 HA SER 3 -0.828 -22.655 16.317 10 HB3 SER 3 2HB SER 3 -1.039 -22.102 13.407 11 HG SER 3 HG SER 3 -2.064 -20.678 14.828 12 H GLY 4 H GLY 4 -3.146 -22.881 16.020 13 HA2 GLY 4 1HA GLY 4 -4.011 -24.969 14.143 14 HA3 GLY 4 2HA GLY 4 -4.333 -25.180 15.852 15 H SER 5 H SER 5 -5.766 -23.684 16.976 16 HA SER 5 HA SER 5 -7.546 -22.459 17.170 17 HB3 SER 5 2HB SER 5 -7.807 -20.639 15.161 18 HG SER 5 HG SER 5 -6.591 -20.715 17.600 19 H SER 6 H SER 6 -9.802 -22.243 16.415 20 HA SER 6 HA SER 6 -10.567 -23.009 13.863 21 HB3 SER 6 2HB SER 6 -11.633 -25.189 15.489 22 HG SER 6 HG SER 6 -11.402 -24.947 13.053 23 H GLY 7 H GLY 7 -12.978 -23.045 13.668 24 HA2 GLY 7 1HA GLY 7 -14.182 -21.387 15.731 25 HA3 GLY 7 2HA GLY 7 -14.832 -21.775 14.150 26 H ALA 8 H ALA 8 -16.895 -22.453 14.859 27 HA ALA 8 HA ALA 8 -16.873 -25.069 16.157 28 HB1 ALA 8 3HB ALA 8 -17.438 -23.957 18.079 29 HB2 ALA 8 1HB ALA 8 -18.045 -22.531 17.206 30 HB3 ALA 8 2HB ALA 8 -19.054 -23.990 17.336 31 H SER 9 H SER 9 -17.086 -25.353 13.662 32 HA SER 9 HA SER 9 -19.450 -26.347 13.044 33 HB3 SER 9 2HB SER 9 -20.047 -24.152 11.392 34 HG SER 9 HG SER 9 -21.943 -24.581 12.271 35 H ILE 10 H ILE 10 -19.467 -27.175 10.858 36 HA ILE 10 HA ILE 10 -17.531 -26.124 9.000 37 HB ILE 10 HB ILE 10 -16.067 -27.494 10.263 38 HG13 ILE 10 2HG1 ILE 10 -15.212 -28.922 8.585 39 HG21 ILE 10 1HG2 ILE 10 -16.816 -30.107 10.180 40 HG22 ILE 10 2HG2 ILE 10 -17.073 -29.022 11.568 41 HG23 ILE 10 3HG2 ILE 10 -18.391 -29.308 10.405 42 HD11 ILE 10 3HD1 ILE 10 -17.902 -29.746 8.265 43 HD12 ILE 10 1HD1 ILE 10 -17.457 -28.982 6.720 44 HD13 ILE 10 2HD1 ILE 10 -16.488 -30.334 7.356 45 H ASP 11 H ASP 11 -18.379 -26.232 6.981 46 HA ASP 11 HA ASP 11 -19.718 -28.410 5.995 47 HB3 ASP 11 2HB ASP 11 -21.690 -26.164 6.527 48 H ILE 12 H ILE 12 -18.156 -27.619 4.339 49 HA ILE 12 HA ILE 12 -18.507 -25.017 3.225 50 HB ILE 12 HB ILE 12 -16.879 -27.424 2.415 51 HG13 ILE 12 2HG1 ILE 12 -16.265 -26.282 4.542 52 HG21 ILE 12 1HG2 ILE 12 -17.602 -25.887 0.499 53 HG22 ILE 12 2HG2 ILE 12 -16.565 -24.655 1.258 54 HG23 ILE 12 3HG2 ILE 12 -15.860 -26.191 0.701 55 HD11 ILE 12 3HD1 ILE 12 -14.427 -27.337 3.472 56 HD12 ILE 12 1HD1 ILE 12 -14.433 -26.174 2.124 57 HD13 ILE 12 2HD1 ILE 12 -13.863 -25.669 3.732 58 H GLN 13 H GLN 13 -20.793 -25.012 2.721 59 HA GLN 13 HA GLN 13 -21.282 -26.472 0.248 60 HB3 GLN 13 2HB GLN 13 -23.317 -26.047 2.481 61 HG3 GLN 13 2HG GLN 13 -23.447 -27.576 -0.161 62 HE21 GLN 13 1HE2 GLN 13 -26.297 -27.131 -0.126 63 HE22 GLN 13 2HE2 GLN 13 -27.000 -28.245 0.997 64 H ILE 14 H ILE 14 -20.238 -23.935 0.169 65 HA ILE 14 HA ILE 14 -22.457 -22.470 -0.951 66 HB ILE 14 HB ILE 14 -20.777 -20.908 0.944 67 HG13 ILE 14 2HG1 ILE 14 -21.457 -22.880 2.265 68 HG21 ILE 14 1HG2 ILE 14 -22.929 -20.385 -0.750 69 HG22 ILE 14 2HG2 ILE 14 -23.634 -20.394 0.885 70 HG23 ILE 14 3HG2 ILE 14 -22.267 -19.316 0.511 71 HD11 ILE 14 3HD1 ILE 14 -22.564 -20.128 2.785 72 HD12 ILE 14 1HD1 ILE 14 -23.069 -21.453 3.860 73 HD13 ILE 14 2HD1 ILE 14 -21.343 -21.049 3.697 74 H ILE 15 H ILE 15 -21.400 -22.914 -2.942 75 HA ILE 15 HA ILE 15 -18.654 -22.115 -3.237 76 HB ILE 15 HB ILE 15 -19.200 -22.696 -5.674 77 HG13 ILE 15 2HG1 ILE 15 -21.777 -22.549 -4.970 78 HG21 ILE 15 1HG2 ILE 15 -19.655 -25.139 -4.082 79 HG22 ILE 15 2HG2 ILE 15 -18.372 -24.742 -5.250 80 HG23 ILE 15 3HG2 ILE 15 -18.265 -24.149 -3.575 81 HD11 ILE 15 3HD1 ILE 15 -20.948 -24.767 -6.860 82 HD12 ILE 15 1HD1 ILE 15 -22.269 -23.586 -7.031 83 HD13 ILE 15 2HD1 ILE 15 -20.579 -23.071 -7.253 84 H ASP 16 H ASP 16 -17.872 -20.219 -4.084 85 HA ASP 16 HA ASP 16 -19.298 -18.563 -5.741 86 HB3 ASP 16 2HB ASP 16 -20.723 -18.170 -3.720 87 H ARG 17 H ARG 17 -17.956 -16.652 -6.295 88 HA ARG 17 HA ARG 17 -15.242 -17.091 -5.708 89 HB3 ARG 17 2HB ARG 17 -15.036 -14.822 -7.020 90 HG3 ARG 17 2HG ARG 17 -16.103 -17.456 -8.018 91 HD3 ARG 17 2HD ARG 17 -15.634 -16.282 -10.389 92 HE ARG 17 HE ARG 17 -18.008 -16.975 -9.002 93 HH11 ARG 17 2HH2 ARG 17 -17.023 -14.790 -11.581 94 HH12 ARG 17 1HH2 ARG 17 -18.568 -14.813 -12.363 95 HH21 ARG 17 2HH1 ARG 17 -20.046 -17.005 -10.035 96 HH22 ARG 17 1HH1 ARG 17 -20.299 -16.081 -11.478 97 HA PRO 18 HA PRO 18 -14.917 -14.374 -2.305 98 HB3 PRO 18 2HB PRO 18 -13.007 -15.421 -1.558 99 HG3 PRO 18 2HG PRO 18 -11.875 -16.623 -3.168 100 HD3 PRO 18 2HD PRO 18 -13.590 -17.049 -4.639 101 H GLY 19 H GLY 19 -15.423 -12.302 -1.963 102 HA2 GLY 19 1HA GLY 19 -15.407 -10.485 -4.051 103 HA3 GLY 19 2HA GLY 19 -15.515 -10.090 -2.347 104 HA PRO 20 HA PRO 20 -11.574 -8.395 -3.814 105 HB3 PRO 20 2HB PRO 20 -12.321 -6.364 -4.603 106 HG3 PRO 20 2HG PRO 20 -14.520 -5.885 -4.096 107 HD3 PRO 20 2HD PRO 20 -15.345 -8.011 -3.807 108 HA PRO 21 HA PRO 21 -9.513 -8.426 -0.101 109 HB3 PRO 21 2HB PRO 21 -7.424 -8.258 -1.055 110 HG3 PRO 21 2HG PRO 21 -7.386 -7.214 -3.112 111 HD3 PRO 21 2HD PRO 21 -9.549 -7.581 -3.796 112 H GLN 22 H GLN 22 -9.282 -7.624 2.014 113 HA GLN 22 HA GLN 22 -11.204 -5.917 2.767 114 HB3 GLN 22 2HB GLN 22 -9.274 -5.406 4.672 115 HG3 GLN 22 2HG GLN 22 -10.650 -8.112 4.454 116 HE21 GLN 22 1HE2 GLN 22 -10.120 -5.178 6.411 117 HE22 GLN 22 2HE2 GLN 22 -9.757 -5.974 7.905 118 H ILE 23 H ILE 23 -7.797 -5.082 1.883 119 HA ILE 23 HA ILE 23 -8.596 -2.537 0.942 120 HB ILE 23 HB ILE 23 -8.588 -2.338 3.512 121 HG13 ILE 23 2HG1 ILE 23 -8.351 -0.096 3.255 122 HG21 ILE 23 1HG2 ILE 23 -5.705 -2.801 2.925 123 HG22 ILE 23 2HG2 ILE 23 -6.113 -1.546 4.120 124 HG23 ILE 23 3HG2 ILE 23 -6.673 -3.218 4.360 125 HD11 ILE 23 3HD1 ILE 23 -5.744 -0.853 2.004 126 HD12 ILE 23 1HD1 ILE 23 -6.479 0.662 1.425 127 HD13 ILE 23 2HD1 ILE 23 -6.117 0.453 3.156 128 H VAL 24 H VAL 24 -6.628 -1.288 0.145 129 HA VAL 24 HA VAL 24 -4.307 -3.025 -0.190 130 HB VAL 24 HB VAL 24 -5.853 -1.724 -2.440 131 HG11 VAL 24 1HG1 VAL 24 -4.176 -2.349 -3.935 132 HG12 VAL 24 2HG1 VAL 24 -3.252 -1.768 -2.529 133 HG13 VAL 24 3HG1 VAL 24 -3.456 -3.516 -2.800 134 HG21 VAL 24 3HG2 VAL 24 -7.027 -3.680 -1.942 135 HG22 VAL 24 1HG2 VAL 24 -5.897 -4.203 -3.214 136 HG23 VAL 24 2HG2 VAL 24 -5.552 -4.576 -1.509 137 H LYS 25 H LYS 25 -2.618 -1.869 0.571 138 HA LYS 25 HA LYS 25 -2.613 1.002 -0.042 139 HB3 LYS 25 2HB LYS 25 -1.204 0.978 2.234 140 HG3 LYS 25 2HG LYS 25 -4.174 0.850 2.633 141 HD3 LYS 25 2HD LYS 25 -2.815 3.409 3.047 142 HE3 LYS 25 2HE LYS 25 -4.280 1.369 4.764 143 HZ1 LYS 25 3HZ LYS 25 -2.412 3.125 5.687 144 HZ2 LYS 25 1HZ LYS 25 -3.838 3.864 5.981 145 HZ3 LYS 25 2HZ LYS 25 -3.556 2.368 6.572 146 H ILE 26 H ILE 26 -0.207 1.857 0.320 147 HA ILE 26 HA ILE 26 1.546 -0.125 -0.956 148 HB ILE 26 HB ILE 26 1.297 2.842 -1.441 149 HG13 ILE 26 2HG1 ILE 26 -0.052 0.694 -2.588 150 HG21 ILE 26 1HG2 ILE 26 3.236 2.855 -2.695 151 HG22 ILE 26 2HG2 ILE 26 3.688 1.810 -1.328 152 HG23 ILE 26 3HG2 ILE 26 3.251 1.086 -2.894 153 HD11 ILE 26 3HD1 ILE 26 -0.956 2.886 -2.764 154 HD12 ILE 26 1HD1 ILE 26 0.548 3.543 -3.455 155 HD13 ILE 26 2HD1 ILE 26 -0.493 2.479 -4.433 156 H GLU 27 H GLU 27 2.768 -0.890 0.719 157 HA GLU 27 HA GLU 27 3.330 0.227 3.042 158 HB3 GLU 27 2HB GLU 27 5.804 -0.945 2.128 159 HG3 GLU 27 2HG GLU 27 4.530 -2.961 3.423 160 H ASP 28 H ASP 28 4.979 0.969 -0.072 161 HA ASP 28 HA ASP 28 5.478 3.549 0.489 162 HB3 ASP 28 2HB ASP 28 8.215 2.653 0.751 163 H VAL 29 H VAL 29 7.687 4.260 -0.904 164 HA VAL 29 HA VAL 29 8.139 2.388 -3.071 165 HB VAL 29 HB VAL 29 6.204 3.447 -3.904 166 HG11 VAL 29 1HG1 VAL 29 7.408 6.166 -3.303 167 HG12 VAL 29 2HG1 VAL 29 5.771 5.805 -3.902 168 HG13 VAL 29 3HG1 VAL 29 6.236 5.343 -2.247 169 HG21 VAL 29 3HG2 VAL 29 6.990 4.521 -5.899 170 HG22 VAL 29 1HG2 VAL 29 8.512 5.002 -5.113 171 HG23 VAL 29 2HG2 VAL 29 8.187 3.284 -5.447 172 H TRP 30 H TRP 30 10.286 2.387 -3.489 173 HA TRP 30 HA TRP 30 11.732 4.900 -3.048 174 HB3 TRP 30 2HB TRP 30 12.137 3.599 -1.082 175 HD1 TRP 30 HD TRP 30 14.515 1.283 -2.934 176 HE1 TRP 30 1HE TRP 30 13.926 -1.259 -2.542 177 HE3 TRP 30 3HE TRP 30 10.034 2.126 -0.686 178 HZ2 TRP 30 2HZ TRP 30 11.701 -2.602 -1.362 179 HZ3 TRP 30 3HZ TRP 30 8.716 0.145 0.056 180 HH2 TRP 30 HH TRP 30 9.482 -2.155 -0.250 181 H GLY 31 H GLY 31 13.597 5.137 -4.462 182 HA2 GLY 31 1HA GLY 31 14.408 5.077 -6.581 183 HA3 GLY 31 2HA GLY 31 14.770 3.419 -6.143 184 H GLU 32 H GLU 32 14.069 1.924 -7.596 185 HA GLU 32 HA GLU 32 11.674 2.635 -9.102 186 HB3 GLU 32 2HB GLU 32 12.538 1.340 -10.952 187 HG3 GLU 32 2HG GLU 32 14.653 3.072 -9.608 188 H ASN 33 H ASN 33 11.630 1.450 -6.433 189 HA ASN 33 HA ASN 33 10.417 -1.085 -7.177 190 HB3 ASN 33 2HB ASN 33 11.264 -2.111 -5.093 191 HD21 ASN 33 1HD2 ASN 33 13.779 0.243 -5.677 192 HD22 ASN 33 2HD2 ASN 33 14.832 -0.750 -6.629 193 H VAL 34 H VAL 34 8.270 -1.128 -6.469 194 HA VAL 34 HA VAL 34 7.516 0.869 -4.460 195 HB VAL 34 HB VAL 34 6.227 -0.309 -6.865 196 HG11 VAL 34 1HG1 VAL 34 3.984 0.576 -5.890 197 HG12 VAL 34 2HG1 VAL 34 4.553 -1.043 -5.416 198 HG13 VAL 34 3HG1 VAL 34 4.765 0.333 -4.309 199 HG21 VAL 34 3HG2 VAL 34 5.978 2.434 -5.590 200 HG22 VAL 34 1HG2 VAL 34 7.226 1.989 -6.780 201 HG23 VAL 34 2HG2 VAL 34 5.506 1.957 -7.240 202 H ALA 35 H ALA 35 6.060 0.247 -2.735 203 HA ALA 35 HA ALA 35 6.162 -2.646 -2.210 204 HB1 ALA 35 3HB ALA 35 6.475 -0.236 -0.393 205 HB2 ALA 35 1HB ALA 35 6.086 -1.855 0.235 206 HB3 ALA 35 2HB ALA 35 7.608 -1.585 -0.647 207 H LEU 36 H LEU 36 4.201 -3.616 -2.235 208 HA LEU 36 HA LEU 36 1.871 -1.877 -1.858 209 HB3 LEU 36 2HB LEU 36 0.763 -4.005 -2.929 210 HG LEU 36 HG LEU 36 2.309 -1.875 -4.385 211 HD11 LEU 36 1HD1 LEU 36 1.304 -4.420 -5.509 212 HD12 LEU 36 2HD1 LEU 36 0.845 -2.945 -6.393 213 HD13 LEU 36 3HD1 LEU 36 2.563 -3.311 -6.103 214 HD21 LEU 36 3HD2 LEU 36 0.418 -0.770 -4.031 215 HD22 LEU 36 1HD2 LEU 36 -0.389 -1.906 -5.139 216 HD23 LEU 36 2HD2 LEU 36 -0.382 -2.224 -3.388 217 H THR 37 H THR 37 0.093 -2.654 -0.535 218 HA THR 37 HA THR 37 0.626 -4.958 1.141 219 HB THR 37 HB THR 37 0.125 -3.265 3.157 220 HG1 THR 37 1HG THR 37 -0.043 -1.330 1.983 221 HG21 THR 37 3HG2 THR 37 2.407 -4.525 2.398 222 HG22 THR 37 1HG2 THR 37 2.883 -2.853 2.015 223 HG23 THR 37 2HG2 THR 37 2.403 -3.284 3.674 224 H TRP 38 H TRP 38 -1.187 -6.082 0.748 225 HA TRP 38 HA TRP 38 -3.704 -4.570 0.926 226 HB3 TRP 38 2HB TRP 38 -3.342 -5.392 -1.315 227 HD1 TRP 38 HD TRP 38 -4.506 -8.871 -0.411 228 HE1 TRP 38 1HE TRP 38 -2.783 -10.730 -1.145 229 HE3 TRP 38 3HE TRP 38 -0.717 -5.665 -1.513 230 HZ2 TRP 38 2HZ TRP 38 -0.090 -10.653 -2.083 231 HZ3 TRP 38 3HZ TRP 38 1.427 -6.639 -2.332 232 HH2 TRP 38 HH TRP 38 1.774 -9.041 -2.622 233 H THR 39 H THR 39 -5.521 -5.844 1.918 234 HA THR 39 HA THR 39 -4.450 -7.670 3.964 235 HB THR 39 HB THR 39 -6.572 -6.901 5.197 236 HG1 THR 39 1HG THR 39 -6.442 -4.791 3.195 237 HG21 THR 39 3HG2 THR 39 -4.514 -5.735 5.815 238 HG22 THR 39 1HG2 THR 39 -4.527 -4.808 4.296 239 HG23 THR 39 2HG2 THR 39 -5.760 -4.494 5.541 240 HA PRO 40 HA PRO 40 -6.868 -10.854 2.414 241 HB3 PRO 40 2HB PRO 40 -5.823 -12.407 3.756 242 HG3 PRO 40 2HG PRO 40 -4.855 -11.538 5.661 243 HD3 PRO 40 2HD PRO 40 -4.528 -9.362 4.995 244 HA PRO 41 HA PRO 41 -11.032 -10.178 2.845 245 HB3 PRO 41 2HB PRO 41 -11.563 -11.372 0.950 246 HG3 PRO 41 2HG PRO 41 -10.013 -12.973 0.354 247 HD3 PRO 41 2HD PRO 41 -8.132 -12.112 1.358 248 H LYS 42 H LYS 42 -12.907 -10.302 4.142 249 HA LYS 42 HA LYS 42 -12.250 -11.445 6.690 250 HB3 LYS 42 2HB LYS 42 -14.826 -10.527 6.898 251 HG3 LYS 42 2HG LYS 42 -12.207 -8.958 7.027 252 HD3 LYS 42 2HD LYS 42 -14.569 -7.715 7.020 253 HE3 LYS 42 2HE LYS 42 -14.421 -8.170 9.981 254 HZ1 LYS 42 3HZ LYS 42 -16.941 -8.220 9.205 255 HZ2 LYS 42 1HZ LYS 42 -16.133 -6.837 9.524 256 HZ3 LYS 42 2HZ LYS 42 -16.306 -7.344 7.981 257 H ASP 43 H ASP 43 -13.426 -12.704 3.808 258 HA ASP 43 HA ASP 43 -14.980 -14.683 5.284 259 HB3 ASP 43 2HB ASP 43 -15.234 -14.456 2.301 260 H ASP 44 H ASP 44 -14.328 -16.874 5.003 261 HA ASP 44 HA ASP 44 -12.803 -17.683 2.801 262 HB3 ASP 44 2HB ASP 44 -10.997 -16.496 4.020 263 H GLY 45 H GLY 45 -14.889 -19.022 3.212 264 HA2 GLY 45 1HA GLY 45 -14.382 -21.131 5.227 265 HA3 GLY 45 2HA GLY 45 -15.975 -20.540 4.797 266 H ASN 46 H ASN 46 -15.850 -20.348 1.997 267 HA ASN 46 HA ASN 46 -15.286 -23.119 1.286 268 HB3 ASN 46 2HB ASN 46 -17.300 -23.238 0.065 269 HD21 ASN 46 1HD2 ASN 46 -18.815 -23.941 1.342 270 HD22 ASN 46 2HD2 ASN 46 -19.528 -23.120 2.690 271 H ALA 47 H ALA 47 -13.852 -23.321 -0.457 272 HA ALA 47 HA ALA 47 -12.560 -22.794 -2.173 273 HB1 ALA 47 3HB ALA 47 -14.896 -20.932 -2.666 274 HB2 ALA 47 1HB ALA 47 -13.485 -20.951 -3.751 275 HB3 ALA 47 2HB ALA 47 -14.456 -22.426 -3.527 276 H ALA 48 H ALA 48 -11.590 -21.934 0.186 277 HA ALA 48 HA ALA 48 -11.234 -19.298 0.695 278 HB1 ALA 48 3HB ALA 48 -10.379 -20.952 2.190 279 HB2 ALA 48 1HB ALA 48 -9.346 -21.665 0.929 280 HB3 ALA 48 2HB ALA 48 -8.960 -20.058 1.592 281 H ILE 49 H ILE 49 -9.094 -18.003 0.354 282 HA ILE 49 HA ILE 49 -8.775 -17.766 -2.493 283 HB ILE 49 HB ILE 49 -7.761 -16.191 -0.132 284 HG13 ILE 49 2HG1 ILE 49 -9.991 -15.854 -2.123 285 HG21 ILE 49 1HG2 ILE 49 -6.927 -14.538 -1.740 286 HG22 ILE 49 2HG2 ILE 49 -6.076 -16.094 -1.889 287 HG23 ILE 49 3HG2 ILE 49 -7.320 -15.642 -3.079 288 HD11 ILE 49 3HD1 ILE 49 -10.979 -14.942 0.147 289 HD12 ILE 49 1HD1 ILE 49 -10.824 -16.699 -0.092 290 HD13 ILE 49 2HD1 ILE 49 -9.616 -15.823 0.879 291 H THR 50 H THR 50 -7.356 -18.975 -3.618 292 HA THR 50 HA THR 50 -5.297 -20.424 -2.273 293 HB THR 50 HB THR 50 -4.781 -21.008 -4.758 294 HG1 THR 50 1HG THR 50 -6.089 -19.907 -6.212 295 HG21 THR 50 3HG2 THR 50 -7.412 -21.801 -4.997 296 HG22 THR 50 1HG2 THR 50 -6.203 -22.689 -4.040 297 HG23 THR 50 2HG2 THR 50 -7.303 -21.541 -3.240 298 H GLY 51 H GLY 51 -5.551 -17.257 -3.754 299 HA2 GLY 51 1HA GLY 51 -3.035 -16.454 -2.799 300 HA3 GLY 51 2HA GLY 51 -2.875 -16.869 -4.494 301 H TYR 52 H TYR 52 -2.365 -14.496 -4.715 302 HA TYR 52 HA TYR 52 -4.844 -13.061 -5.258 303 HB3 TYR 52 2HB TYR 52 -3.700 -11.045 -4.129 304 HD1 TYR 52 2HD TYR 52 -3.037 -14.112 -2.098 305 HD2 TYR 52 1HD TYR 52 -5.604 -10.757 -2.779 306 HE1 TYR 52 2HE TYR 52 -4.327 -14.659 0.023 307 HE2 TYR 52 1HE TYR 52 -6.885 -11.316 -0.655 308 HH TYR 52 HH TYR 52 -6.779 -14.197 0.807 309 H THR 53 H THR 53 -4.760 -12.280 -7.302 310 HA THR 53 HA THR 53 -2.185 -12.211 -8.635 311 HB THR 53 HB THR 53 -5.104 -11.911 -9.493 312 HG1 THR 53 1HG THR 53 -4.466 -13.983 -10.461 313 HG21 THR 53 3HG2 THR 53 -4.362 -11.818 -11.788 314 HG22 THR 53 1HG2 THR 53 -3.425 -10.559 -10.948 315 HG23 THR 53 2HG2 THR 53 -2.671 -12.127 -11.325 316 H ILE 54 H ILE 54 -1.009 -10.451 -9.156 317 HA ILE 54 HA ILE 54 -2.226 -7.874 -8.440 318 HB ILE 54 HB ILE 54 0.597 -8.887 -8.176 319 HG13 ILE 54 2HG1 ILE 54 -1.608 -8.735 -6.402 320 HG21 ILE 54 1HG2 ILE 54 1.304 -6.663 -7.557 321 HG22 ILE 54 2HG2 ILE 54 0.614 -6.630 -9.196 322 HG23 ILE 54 3HG2 ILE 54 -0.337 -6.026 -7.819 323 HD11 ILE 54 3HD1 ILE 54 0.492 -9.247 -4.780 324 HD12 ILE 54 1HD1 ILE 54 -0.143 -10.459 -5.920 325 HD13 ILE 54 2HD1 ILE 54 1.293 -9.498 -6.348 326 H GLN 55 H GLN 55 -1.944 -6.107 -9.866 327 HA GLN 55 HA GLN 55 -0.577 -6.716 -12.341 328 HB3 GLN 55 2HB GLN 55 -2.446 -6.087 -13.739 329 HG3 GLN 55 2HG GLN 55 -3.825 -7.759 -11.627 330 HE21 GLN 55 1HE2 GLN 55 -4.519 -9.832 -12.862 331 HE22 GLN 55 2HE2 GLN 55 -5.280 -9.578 -14.397 332 H LYS 56 H LYS 56 0.337 -4.876 -13.350 333 HA LYS 56 HA LYS 56 -0.005 -2.397 -11.811 334 HB3 LYS 56 2HB LYS 56 2.239 -3.551 -11.688 335 HG3 LYS 56 2HG LYS 56 2.695 -2.438 -14.471 336 HD3 LYS 56 2HD LYS 56 4.086 -4.357 -12.577 337 HE3 LYS 56 2HE LYS 56 3.820 -4.771 -15.402 338 HZ1 LYS 56 3HZ LYS 56 6.613 -4.512 -14.974 339 HZ2 LYS 56 1HZ LYS 56 5.715 -4.066 -16.263 340 HZ3 LYS 56 2HZ LYS 56 5.855 -3.066 -14.980 341 H ALA 57 H ALA 57 -0.141 -0.401 -12.979 342 HA ALA 57 HA ALA 57 -0.280 -0.536 -15.856 343 HB1 ALA 57 3HB ALA 57 -2.521 -1.292 -15.297 344 HB2 ALA 57 1HB ALA 57 -2.727 0.044 -14.140 345 HB3 ALA 57 2HB ALA 57 -2.616 0.385 -15.883 346 H ASP 58 H ASP 58 -0.107 1.561 -16.816 347 HA ASP 58 HA ASP 58 0.840 3.508 -14.899 348 HB3 ASP 58 2HB ASP 58 1.188 4.533 -17.502 349 H LYS 59 H LYS 59 0.389 5.944 -15.976 350 HA LYS 59 HA LYS 59 -2.505 6.110 -16.048 351 HB3 LYS 59 2HB LYS 59 -1.556 8.688 -16.123 352 HG3 LYS 59 2HG LYS 59 -1.695 8.377 -13.493 353 HD3 LYS 59 2HD LYS 59 -4.286 7.490 -14.598 354 HE3 LYS 59 2HE LYS 59 -3.144 9.811 -13.044 355 HZ1 LYS 59 3HZ LYS 59 -4.998 10.217 -14.979 356 HZ2 LYS 59 1HZ LYS 59 -5.894 10.077 -13.621 357 HZ3 LYS 59 2HZ LYS 59 -4.709 11.197 -13.706 358 H LYS 60 H LYS 60 -0.547 5.151 -18.313 359 HA LYS 60 HA LYS 60 -0.786 7.116 -20.335 360 HB3 LYS 60 2HB LYS 60 -0.110 5.187 -21.821 361 HG3 LYS 60 2HG LYS 60 2.152 5.082 -20.927 362 HD3 LYS 60 2HD LYS 60 1.142 7.738 -19.870 363 HE3 LYS 60 2HE LYS 60 3.585 6.734 -21.379 364 HZ1 LYS 60 3HZ LYS 60 3.855 8.720 -22.258 365 HZ2 LYS 60 1HZ LYS 60 2.331 9.121 -21.829 366 HZ3 LYS 60 2HZ LYS 60 3.580 9.487 -20.843 367 H SER 61 H SER 61 -2.582 4.056 -19.582 368 HA SER 61 HA SER 61 -4.966 5.239 -20.525 369 HB3 SER 61 2HB SER 61 -4.900 2.893 -22.130 370 HG SER 61 HG SER 61 -4.616 4.747 -23.842 371 H MET 62 H MET 62 -3.843 3.978 -18.101 372 HA MET 62 HA MET 62 -4.239 2.429 -16.612 373 HB3 MET 62 2HB MET 62 -6.688 1.893 -16.297 374 HG3 MET 62 2HG MET 62 -7.550 4.265 -16.328 375 HE1 MET 62 3HE MET 62 -5.756 2.030 -13.995 376 HE2 MET 62 1HE MET 62 -6.513 3.284 -12.985 377 HE3 MET 62 2HE MET 62 -7.348 2.688 -14.439 378 H GLU 63 H GLU 63 -2.877 1.205 -18.604 379 HA GLU 63 HA GLU 63 -4.414 -1.150 -19.312 380 HB3 GLU 63 2HB GLU 63 -2.483 -1.639 -20.838 381 HG3 GLU 63 2HG GLU 63 -3.199 1.256 -21.308 382 H TRP 64 H TRP 64 -3.919 -3.216 -18.536 383 HA TRP 64 HA TRP 64 -1.776 -3.285 -16.523 384 HB3 TRP 64 2HB TRP 64 -3.039 -4.863 -15.293 385 HD1 TRP 64 HD TRP 64 -5.954 -2.952 -17.001 386 HE1 TRP 64 1HE TRP 64 -6.983 -1.153 -15.367 387 HE3 TRP 64 3HE TRP 64 -2.501 -3.554 -13.317 388 HZ2 TRP 64 2HZ TRP 64 -6.253 -0.204 -12.776 389 HZ3 TRP 64 3HZ TRP 64 -2.731 -2.153 -11.269 390 HH2 TRP 64 HH TRP 64 -4.527 -0.522 -10.965 391 H PHE 65 H PHE 65 -0.554 -5.339 -16.420 392 HA PHE 65 HA PHE 65 -0.835 -7.017 -18.785 393 HB3 PHE 65 2HB PHE 65 1.959 -6.647 -18.278 394 HD1 PHE 65 2HD PHE 65 0.004 -4.072 -20.072 395 HD2 PHE 65 1HD PHE 65 2.242 -7.663 -20.400 396 HE1 PHE 65 2HE PHE 65 0.014 -3.838 -22.571 397 HE2 PHE 65 1HE PHE 65 2.252 -7.428 -22.899 398 HZ PHE 65 HZ PHE 65 1.138 -5.519 -23.955 399 H THR 66 H THR 66 -1.316 -7.166 -15.753 400 HA THR 66 HA THR 66 -1.041 -8.641 -14.112 401 HB THR 66 HB THR 66 -0.103 -10.265 -16.523 402 HG1 THR 66 1HG THR 66 -2.405 -10.306 -14.702 403 HG21 THR 66 3HG2 THR 66 -0.178 -12.261 -15.202 404 HG22 THR 66 1HG2 THR 66 0.785 -11.138 -14.214 405 HG23 THR 66 2HG2 THR 66 -0.929 -11.419 -13.826 406 H VAL 67 H VAL 67 0.396 -9.219 -12.476 407 HA VAL 67 HA VAL 67 3.206 -8.633 -13.106 408 HB VAL 67 HB VAL 67 1.495 -7.770 -10.781 409 HG11 VAL 67 1HG1 VAL 67 3.222 -8.011 -9.388 410 HG12 VAL 67 2HG1 VAL 67 4.276 -8.562 -10.712 411 HG13 VAL 67 3HG1 VAL 67 4.119 -6.824 -10.366 412 HG21 VAL 67 3HG2 VAL 67 3.329 -6.220 -12.642 413 HG22 VAL 67 1HG2 VAL 67 1.556 -6.309 -12.771 414 HG23 VAL 67 2HG2 VAL 67 2.308 -5.540 -11.353 415 H ILE 68 H ILE 68 0.824 -10.378 -11.031 416 HA ILE 68 HA ILE 68 2.607 -12.641 -11.002 417 HB ILE 68 HB ILE 68 3.037 -10.909 -9.013 418 HG13 ILE 68 2HG1 ILE 68 3.421 -13.776 -9.433 419 HG21 ILE 68 1HG2 ILE 68 1.830 -11.347 -7.050 420 HG22 ILE 68 2HG2 ILE 68 0.592 -11.186 -8.318 421 HG23 ILE 68 3HG2 ILE 68 1.063 -12.800 -7.735 422 HD11 ILE 68 3HD1 ILE 68 4.953 -11.333 -8.601 423 HD12 ILE 68 1HD1 ILE 68 5.598 -12.912 -8.092 424 HD13 ILE 68 2HD1 ILE 68 5.356 -12.565 -9.820 425 H GLU 69 H GLU 69 1.499 -14.607 -10.241 426 HA GLU 69 HA GLU 69 -1.372 -14.251 -10.015 427 HB3 GLU 69 2HB GLU 69 -1.706 -16.187 -11.604 428 HG3 GLU 69 2HG GLU 69 -0.139 -14.069 -13.086 429 H HIS 70 H HIS 70 -2.408 -15.817 -8.697 430 HA HIS 70 HA HIS 70 -2.473 -17.143 -6.934 431 HB3 HIS 70 2HB HIS 70 -1.728 -19.435 -7.321 432 HD1 HIS 70 1HD HIS 70 -3.270 -20.925 -8.718 433 HD2 HIS 70 2HD HIS 70 -3.053 -16.979 -10.124 434 HE1 HIS 70 1HE HIS 70 -5.095 -20.695 -10.486 435 H TYR 71 H TYR 71 -1.091 -15.328 -5.898 436 HA TYR 71 HA TYR 71 1.642 -16.104 -5.366 437 HB3 TYR 71 2HB TYR 71 0.022 -13.919 -3.983 438 HD1 TYR 71 1HD TYR 71 3.104 -14.751 -5.949 439 HD2 TYR 71 2HD TYR 71 1.340 -12.330 -2.894 440 HE1 TYR 71 1HE TYR 71 5.384 -13.765 -5.403 441 HE2 TYR 71 2HE TYR 71 3.625 -11.352 -2.359 442 HH TYR 71 HH TYR 71 5.750 -11.000 -3.533 443 H HIS 72 H HIS 72 1.973 -15.230 -2.725 444 HA HIS 72 HA HIS 72 0.224 -17.031 -1.226 445 HB3 HIS 72 2HB HIS 72 3.245 -16.865 -1.032 446 HD1 HIS 72 1HD HIS 72 3.832 -17.034 1.400 447 HD2 HIS 72 2HD HIS 72 0.571 -19.467 0.380 448 HE1 HIS 72 1HE HIS 72 3.268 -18.385 3.489 449 H ARG 73 H ARG 73 3.059 -14.901 -0.450 450 HA ARG 73 HA ARG 73 2.063 -13.987 1.884 451 HB3 ARG 73 2HB ARG 73 3.488 -11.788 0.792 452 HG3 ARG 73 2HG ARG 73 5.375 -13.652 1.838 453 HD3 ARG 73 2HD ARG 73 4.379 -12.137 4.000 454 HE ARG 73 HE ARG 73 6.349 -10.728 2.448 455 HH11 ARG 73 2HH2 ARG 73 5.866 -13.779 4.134 456 HH12 ARG 73 1HH2 ARG 73 7.552 -14.017 4.450 457 HH21 ARG 73 2HH1 ARG 73 8.573 -11.043 2.865 458 HH22 ARG 73 1HH1 ARG 73 9.102 -12.451 3.723 459 H THR 74 H THR 74 1.835 -11.249 2.035 460 HA THR 74 HA THR 74 -0.444 -10.650 0.262 461 HB THR 74 HB THR 74 -1.153 -9.250 2.358 462 HG1 THR 74 1HG THR 74 0.613 -11.262 3.533 463 HG21 THR 74 3HG2 THR 74 -2.088 -11.223 3.542 464 HG22 THR 74 1HG2 THR 74 -2.276 -11.429 1.784 465 HG23 THR 74 2HG2 THR 74 -0.983 -12.295 2.648 466 H SER 75 H SER 75 2.758 -9.996 0.752 467 HA SER 75 HA SER 75 2.332 -7.281 -0.211 468 HB3 SER 75 2HB SER 75 3.315 -6.532 1.690 469 HG SER 75 HG SER 75 4.654 -9.004 2.268 470 H ALA 76 H ALA 76 3.678 -6.664 -1.959 471 HA ALA 76 HA ALA 76 5.840 -8.460 -2.697 472 HB1 ALA 76 3HB ALA 76 3.619 -7.774 -4.656 473 HB2 ALA 76 1HB ALA 76 4.980 -8.898 -4.894 474 HB3 ALA 76 2HB ALA 76 3.680 -9.303 -3.746 475 H THR 77 H THR 77 7.506 -7.381 -3.763 476 HA THR 77 HA THR 77 7.127 -4.482 -3.961 477 HB THR 77 HB THR 77 9.636 -6.241 -3.875 478 HG1 THR 77 1HG THR 77 8.394 -4.406 -1.958 479 HG21 THR 77 3HG2 THR 77 9.342 -3.504 -4.629 480 HG22 THR 77 1HG2 THR 77 9.881 -3.485 -2.933 481 HG23 THR 77 2HG2 THR 77 10.851 -4.327 -4.165 482 H ILE 78 H ILE 78 6.887 -3.483 -5.855 483 HA ILE 78 HA ILE 78 7.104 -5.070 -8.245 484 HB ILE 78 HB ILE 78 6.374 -2.161 -7.893 485 HG13 ILE 78 2HG1 ILE 78 4.130 -2.756 -7.643 486 HG21 ILE 78 1HG2 ILE 78 5.129 -2.645 -10.072 487 HG22 ILE 78 2HG2 ILE 78 6.899 -2.484 -10.156 488 HG23 ILE 78 3HG2 ILE 78 6.150 -4.098 -10.195 489 HD11 ILE 78 3HD1 ILE 78 4.056 -4.501 -9.423 490 HD12 ILE 78 1HD1 ILE 78 4.910 -5.625 -8.339 491 HD13 ILE 78 2HD1 ILE 78 3.275 -5.058 -7.924 492 H THR 79 H THR 79 8.370 -4.358 -10.148 493 HA THR 79 HA THR 79 10.691 -2.715 -9.446 494 HB THR 79 HB THR 79 12.034 -4.583 -10.717 495 HG1 THR 79 1HG THR 79 10.874 -6.605 -10.658 496 HG21 THR 79 3HG2 THR 79 10.780 -5.123 -7.975 497 HG22 THR 79 1HG2 THR 79 12.132 -6.059 -8.656 498 HG23 THR 79 2HG2 THR 79 12.345 -4.332 -8.282 499 H GLU 80 H GLU 80 12.111 -2.649 -11.682 500 HA GLU 80 HA GLU 80 12.186 -1.599 -13.589 501 HB3 GLU 80 2HB GLU 80 10.155 -2.600 -15.206 502 HG3 GLU 80 2HG GLU 80 12.504 -4.382 -14.610 503 H LEU 81 H LEU 81 11.435 0.374 -12.332 504 HA LEU 81 HA LEU 81 8.964 1.356 -13.558 505 HB3 LEU 81 2HB LEU 81 8.397 2.486 -11.450 506 HG LEU 81 HG LEU 81 8.642 -0.524 -11.288 507 HD11 LEU 81 1HD1 LEU 81 6.763 0.040 -9.426 508 HD12 LEU 81 2HD1 LEU 81 8.480 -0.250 -9.057 509 HD13 LEU 81 3HD1 LEU 81 7.867 1.416 -9.191 510 HD21 LEU 81 3HD2 LEU 81 6.414 1.392 -11.974 511 HD22 LEU 81 1HD2 LEU 81 7.081 0.056 -12.942 512 HD23 LEU 81 2HD2 LEU 81 6.105 -0.294 -11.495 513 H VAL 82 H VAL 82 9.074 3.455 -14.327 514 HA VAL 82 HA VAL 82 11.748 4.588 -14.322 515 HB VAL 82 HB VAL 82 9.219 5.193 -15.861 516 HG11 VAL 82 1HG1 VAL 82 10.072 7.123 -16.595 517 HG12 VAL 82 2HG1 VAL 82 11.306 6.982 -15.321 518 HG13 VAL 82 3HG1 VAL 82 11.642 6.366 -16.956 519 HG21 VAL 82 3HG2 VAL 82 11.862 3.980 -16.740 520 HG22 VAL 82 1HG2 VAL 82 10.347 3.088 -16.467 521 HG23 VAL 82 2HG2 VAL 82 10.448 4.290 -17.776 522 H ILE 83 H ILE 83 12.351 6.324 -13.112 523 HA ILE 83 HA ILE 83 10.557 7.290 -11.150 524 HB ILE 83 HB ILE 83 13.354 7.981 -12.003 525 HG13 ILE 83 2HG1 ILE 83 12.912 5.865 -10.762 526 HG21 ILE 83 1HG2 ILE 83 12.917 10.068 -11.250 527 HG22 ILE 83 2HG2 ILE 83 11.512 9.554 -10.287 528 HG23 ILE 83 3HG2 ILE 83 13.159 9.294 -9.666 529 HD11 ILE 83 3HD1 ILE 83 14.312 7.392 -8.676 530 HD12 ILE 83 1HD1 ILE 83 14.931 6.114 -9.749 531 HD13 ILE 83 2HD1 ILE 83 14.885 7.803 -10.310 532 H GLY 84 H GLY 84 9.203 9.027 -11.154 533 HA2 GLY 84 1HA GLY 84 8.630 11.214 -11.779 534 HA3 GLY 84 2HA GLY 84 9.545 11.044 -13.263 535 H ASN 85 H ASN 85 7.090 8.831 -11.765 536 HA ASN 85 HA ASN 85 5.141 9.580 -13.675 537 HB3 ASN 85 2HB ASN 85 5.063 6.969 -14.390 538 HD21 ASN 85 1HD2 ASN 85 8.047 7.605 -15.627 539 HD22 ASN 85 2HD2 ASN 85 7.638 8.525 -17.036 540 H GLU 86 H GLU 86 3.069 8.292 -13.258 541 HA GLU 86 HA GLU 86 3.182 7.082 -10.604 542 HB3 GLU 86 2HB GLU 86 0.955 8.728 -11.882 543 HG3 GLU 86 2HG GLU 86 0.561 8.300 -9.079 544 H TYR 87 H TYR 87 2.003 5.139 -10.256 545 HA TYR 87 HA TYR 87 0.705 4.026 -12.644 546 HB3 TYR 87 2HB TYR 87 1.898 1.905 -12.105 547 HD1 TYR 87 2HD TYR 87 4.105 4.630 -10.799 548 HD2 TYR 87 1HD TYR 87 3.208 1.994 -14.047 549 HE1 TYR 87 2HE TYR 87 6.224 5.370 -11.994 550 HE2 TYR 87 1HE TYR 87 5.330 2.743 -15.231 551 HH TYR 87 HH TYR 87 7.143 3.914 -15.100 552 H TYR 88 H TYR 88 -0.538 1.911 -11.968 553 HA TYR 88 HA TYR 88 -1.742 2.371 -9.325 554 HB3 TYR 88 2HB TYR 88 -3.813 1.401 -10.748 555 HD1 TYR 88 2HD TYR 88 -3.709 3.454 -8.819 556 HD2 TYR 88 1HD TYR 88 -3.591 3.869 -13.076 557 HE1 TYR 88 2HE TYR 88 -4.621 5.819 -8.621 558 HE2 TYR 88 1HE TYR 88 -4.503 6.233 -12.863 559 HH TYR 88 HH TYR 88 -4.329 8.023 -10.505 560 H PHE 89 H PHE 89 -2.659 0.460 -8.298 561 HA PHE 89 HA PHE 89 -1.705 -2.044 -9.485 562 HB3 PHE 89 2HB PHE 89 -0.989 -2.684 -7.172 563 HD1 PHE 89 2HD PHE 89 0.898 -2.402 -8.965 564 HD2 PHE 89 1HD PHE 89 -0.255 0.633 -6.233 565 HE1 PHE 89 2HE PHE 89 3.122 -1.280 -9.272 566 HE2 PHE 89 1HE PHE 89 1.968 1.755 -6.540 567 HZ PHE 89 HZ PHE 89 3.631 0.785 -8.056 568 H ARG 90 H ARG 90 -3.145 -3.750 -9.380 569 HA ARG 90 HA ARG 90 -5.501 -3.267 -7.740 570 HB3 ARG 90 2HB ARG 90 -5.277 -4.112 -10.637 571 HG3 ARG 90 2HG ARG 90 -7.930 -4.620 -9.998 572 HD3 ARG 90 2HD ARG 90 -7.386 -6.988 -10.424 573 HE ARG 90 HE ARG 90 -5.427 -5.879 -12.236 574 HH11 ARG 90 2HH2 ARG 90 -8.830 -5.673 -11.367 575 HH12 ARG 90 1HH2 ARG 90 -9.330 -5.139 -12.937 576 HH21 ARG 90 2HH1 ARG 90 -6.085 -5.173 -14.308 577 HH22 ARG 90 1HH1 ARG 90 -7.759 -4.852 -14.621 578 H VAL 91 H VAL 91 -5.938 -4.943 -6.320 579 HA VAL 91 HA VAL 91 -4.492 -7.451 -6.794 580 HB VAL 91 HB VAL 91 -5.587 -6.246 -4.244 581 HG11 VAL 91 1HG1 VAL 91 -4.784 -8.074 -3.064 582 HG12 VAL 91 2HG1 VAL 91 -5.405 -8.841 -4.544 583 HG13 VAL 91 3HG1 VAL 91 -3.659 -8.552 -4.357 584 HG21 VAL 91 3HG2 VAL 91 -3.550 -5.352 -3.795 585 HG22 VAL 91 1HG2 VAL 91 -2.669 -6.658 -4.624 586 HG23 VAL 91 2HG2 VAL 91 -3.412 -5.346 -5.569 587 H PHE 92 H PHE 92 -5.637 -9.252 -7.297 588 HA PHE 92 HA PHE 92 -8.536 -9.015 -7.194 589 HB3 PHE 92 2HB PHE 92 -8.026 -11.359 -8.473 590 HD1 PHE 92 2HD PHE 92 -9.695 -8.936 -8.831 591 HD2 PHE 92 1HD PHE 92 -6.185 -10.181 -10.865 592 HE1 PHE 92 2HE PHE 92 -10.405 -7.634 -10.855 593 HE2 PHE 92 1HE PHE 92 -6.895 -8.878 -12.889 594 HZ PHE 92 HZ PHE 92 -8.998 -7.621 -12.860 595 H SER 93 H SER 93 -9.407 -11.598 -7.032 596 HA SER 93 HA SER 93 -8.222 -12.584 -4.561 597 HB3 SER 93 2HB SER 93 -10.699 -13.214 -3.965 598 HG SER 93 HG SER 93 -10.191 -10.383 -3.946 599 H GLU 94 H GLU 94 -7.190 -14.367 -5.536 600 HA GLU 94 HA GLU 94 -8.453 -15.878 -7.531 601 HB3 GLU 94 2HB GLU 94 -6.448 -17.476 -6.310 602 HG3 GLU 94 2HG GLU 94 -5.088 -16.724 -8.274 603 H ASN 95 H ASN 95 -8.843 -18.334 -7.289 604 HA ASN 95 HA ASN 95 -9.297 -19.437 -4.805 605 HB3 ASN 95 2HB ASN 95 -11.166 -17.817 -4.603 606 HD21 ASN 95 1HD2 ASN 95 -13.739 -18.945 -5.608 607 HD22 ASN 95 2HD2 ASN 95 -13.983 -18.264 -7.182 608 H MET 96 H MET 96 -11.409 -21.237 -5.364 609 HA MET 96 HA MET 96 -10.262 -22.665 -7.573 610 HB3 MET 96 2HB MET 96 -10.869 -23.713 -5.322 611 HG3 MET 96 2HG MET 96 -13.386 -22.439 -5.882 612 HE1 MET 96 3HE MET 96 -12.708 -25.903 -4.536 613 HE2 MET 96 1HE MET 96 -14.354 -25.651 -3.907 614 HE3 MET 96 2HE MET 96 -14.052 -26.902 -5.137 615 H CYS 97 H CYS 97 -11.568 -20.296 -8.431 616 HA CYS 97 HA CYS 97 -13.683 -21.504 -10.011 617 HB3 CYS 97 2HB CYS 97 -14.275 -18.752 -9.046 618 HG CYS 97 HG CYS 97 -15.796 -19.704 -10.871 619 H GLY 98 H GLY 98 -12.115 -18.283 -9.316 620 HA2 GLY 98 1HA GLY 98 -10.549 -18.234 -11.646 621 HA3 GLY 98 2HA GLY 98 -12.066 -17.426 -11.986 622 H LEU 99 H LEU 99 -11.202 -15.311 -12.138 623 HA LEU 99 HA LEU 99 -9.903 -14.312 -9.711 624 HB3 LEU 99 2HB LEU 99 -9.468 -12.339 -11.388 625 HG LEU 99 HG LEU 99 -7.368 -13.172 -12.012 626 HD11 LEU 99 1HD1 LEU 99 -7.911 -14.845 -9.561 627 HD12 LEU 99 2HD1 LEU 99 -6.436 -13.954 -10.012 628 HD13 LEU 99 3HD1 LEU 99 -7.894 -13.065 -9.506 629 HD21 LEU 99 3HD2 LEU 99 -7.184 -15.111 -13.071 630 HD22 LEU 99 1HD2 LEU 99 -7.365 -15.952 -11.514 631 HD23 LEU 99 2HD2 LEU 99 -8.798 -15.613 -12.514 632 H SER 100 H SER 100 -10.596 -12.242 -8.823 633 HA SER 100 HA SER 100 -13.434 -12.064 -8.915 634 HB3 SER 100 2HB SER 100 -12.459 -11.793 -6.756 635 HG SER 100 HG SER 100 -10.972 -9.467 -7.388 636 H GLU 101 H GLU 101 -14.647 -10.618 -10.110 637 HA GLU 101 HA GLU 101 -13.361 -9.078 -12.047 638 HB3 GLU 101 2HB GLU 101 -15.960 -8.079 -11.893 639 HG3 GLU 101 2HG GLU 101 -15.613 -10.742 -13.212 640 H ASP 102 H ASP 102 -14.342 -8.464 -8.722 641 HA ASP 102 HA ASP 102 -14.051 -5.615 -9.139 642 HB3 ASP 102 2HB ASP 102 -15.339 -5.335 -7.248 643 H ALA 103 H ALA 103 -12.224 -4.500 -8.320 644 HA ALA 103 HA ALA 103 -10.417 -6.034 -6.592 645 HB1 ALA 103 3HB ALA 103 -8.815 -4.394 -8.230 646 HB2 ALA 103 1HB ALA 103 -8.956 -6.167 -8.297 647 HB3 ALA 103 2HB ALA 103 -9.988 -5.152 -9.332 648 H THR 104 H THR 104 -9.041 -4.673 -5.228 649 HA THR 104 HA THR 104 -10.289 -2.047 -4.783 650 HB THR 104 HB THR 104 -8.853 -4.047 -2.968 651 HG1 THR 104 1HG THR 104 -11.242 -4.088 -3.705 652 HG21 THR 104 3HG2 THR 104 -8.999 -1.177 -2.679 653 HG22 THR 104 1HG2 THR 104 -10.173 -1.899 -1.552 654 HG23 THR 104 2HG2 THR 104 -8.459 -2.368 -1.472 655 H MET 105 H MET 105 -9.196 -0.634 -6.078 656 HA MET 105 HA MET 105 -6.403 -0.868 -6.409 657 HB3 MET 105 2HB MET 105 -8.189 1.564 -6.946 658 HG3 MET 105 2HG MET 105 -6.046 0.679 -8.838 659 HE1 MET 105 3HE MET 105 -6.298 3.318 -10.890 660 HE2 MET 105 1HE MET 105 -6.693 1.623 -10.519 661 HE3 MET 105 2HE MET 105 -7.977 2.855 -10.527 662 H THR 106 H THR 106 -4.711 0.270 -5.424 663 HA THR 106 HA THR 106 -4.843 0.998 -2.835 664 HB THR 106 HB THR 106 -2.775 2.429 -3.455 665 HG1 THR 106 1HG THR 106 -3.665 2.933 -5.617 666 HG21 THR 106 3HG2 THR 106 -3.211 -0.464 -4.112 667 HG22 THR 106 1HG2 THR 106 -1.800 0.299 -4.886 668 HG23 THR 106 2HG2 THR 106 -1.946 0.290 -3.112 669 H LYS 107 H LYS 107 -5.878 2.457 -1.637 670 HA LYS 107 HA LYS 107 -7.668 4.240 -2.524 671 HB3 LYS 107 2HB LYS 107 -6.524 5.496 -0.291 672 HG3 LYS 107 2HG LYS 107 -8.312 3.810 0.828 673 HD3 LYS 107 2HD LYS 107 -9.886 5.513 -0.886 674 HE3 LYS 107 2HE LYS 107 -9.596 4.961 1.845 675 HZ1 LYS 107 3HZ LYS 107 -7.990 6.625 2.151 676 HZ2 LYS 107 1HZ LYS 107 -8.793 7.717 1.240 677 HZ3 LYS 107 2HZ LYS 107 -9.393 7.266 2.690 678 H GLU 108 H GLU 108 -4.115 4.670 -2.384 679 HA GLU 108 HA GLU 108 -4.533 7.107 -3.925 680 HB3 GLU 108 2HB GLU 108 -2.567 8.118 -2.792 681 HG3 GLU 108 2HG GLU 108 -4.612 7.070 -0.779 682 H SER 109 H SER 109 -2.744 7.621 -5.441 683 HA SER 109 HA SER 109 -1.763 5.217 -6.585 684 HB3 SER 109 2HB SER 109 -2.582 7.146 -7.944 685 HG SER 109 HG SER 109 -0.120 8.408 -7.079 686 H ALA 110 H ALA 110 0.700 5.363 -7.450 687 HA ALA 110 HA ALA 110 2.342 6.216 -5.163 688 HB1 ALA 110 3HB ALA 110 2.232 3.835 -5.066 689 HB2 ALA 110 1HB ALA 110 2.418 3.679 -6.830 690 HB3 ALA 110 2HB ALA 110 3.793 4.214 -5.833 691 H VAL 111 H VAL 111 3.916 7.660 -5.673 692 HA VAL 111 HA VAL 111 4.495 7.988 -8.532 693 HB VAL 111 HB VAL 111 5.457 10.184 -7.067 694 HG11 VAL 111 1HG1 VAL 111 3.061 9.752 -8.867 695 HG12 VAL 111 2HG1 VAL 111 3.523 11.355 -8.247 696 HG13 VAL 111 3HG1 VAL 111 4.649 10.443 -9.280 697 HG21 VAL 111 3HG2 VAL 111 3.424 10.988 -5.904 698 HG22 VAL 111 1HG2 VAL 111 2.659 9.404 -6.179 699 HG23 VAL 111 2HG2 VAL 111 4.108 9.527 -5.151 700 H ILE 112 H ILE 112 6.437 7.275 -9.229 701 HA ILE 112 HA ILE 112 8.347 6.342 -7.335 702 HB ILE 112 HB ILE 112 8.583 6.644 -10.329 703 HG13 ILE 112 2HG1 ILE 112 7.909 4.219 -10.351 704 HG21 ILE 112 1HG2 ILE 112 10.519 5.509 -10.242 705 HG22 ILE 112 2HG2 ILE 112 10.572 6.086 -8.560 706 HG23 ILE 112 3HG2 ILE 112 9.966 4.452 -8.922 707 HD11 ILE 112 3HD1 ILE 112 6.414 4.611 -7.806 708 HD12 ILE 112 1HD1 ILE 112 7.157 3.138 -8.475 709 HD13 ILE 112 2HD1 ILE 112 8.162 4.333 -7.620 710 H ALA 113 H ALA 113 10.435 7.164 -6.881 711 HA ALA 113 HA ALA 113 11.458 9.465 -8.121 712 HB1 ALA 113 3HB ALA 113 9.379 10.031 -6.323 713 HB2 ALA 113 1HB ALA 113 10.867 10.339 -5.397 714 HB3 ALA 113 2HB ALA 113 10.591 11.177 -6.942 715 H ARG 114 H ARG 114 13.605 9.867 -7.412 716 HA ARG 114 HA ARG 114 14.766 7.661 -6.145 717 HB3 ARG 114 2HB ARG 114 16.769 9.534 -6.120 718 HG3 ARG 114 2HG ARG 114 16.008 8.601 -8.860 719 HD3 ARG 114 2HD ARG 114 18.318 9.457 -8.082 720 HE ARG 114 HE ARG 114 18.714 6.752 -6.901 721 HH11 ARG 114 2HH2 ARG 114 18.567 10.240 -6.459 722 HH12 ARG 114 1HH2 ARG 114 19.329 10.204 -4.904 723 HH21 ARG 114 2HH1 ARG 114 19.718 6.704 -4.849 724 HH22 ARG 114 1HH1 ARG 114 19.987 8.180 -3.982 725 H ASP 115 H ASP 115 13.118 8.108 -4.188 726 HA ASP 115 HA ASP 115 14.666 9.610 -2.233 727 HB3 ASP 115 2HB ASP 115 11.672 9.417 -1.949 728 H GLY 116 H GLY 116 15.480 7.906 -0.971 729 HA2 GLY 116 1HA GLY 116 13.685 5.647 -0.376 730 HA3 GLY 116 2HA GLY 116 15.436 5.636 -0.299 731 H LYS 117 H LYS 117 12.672 5.687 1.576 732 HA LYS 117 HA LYS 117 13.591 7.501 3.602 733 HB3 LYS 117 2HB LYS 117 11.524 5.758 4.536 734 HG3 LYS 117 2HG LYS 117 10.217 8.018 4.042 735 HD3 LYS 117 2HD LYS 117 12.611 8.061 5.935 736 HE3 LYS 117 2HE LYS 117 10.336 9.821 5.480 737 HZ1 LYS 117 3HZ LYS 117 9.294 8.422 7.135 738 HZ2 LYS 117 1HZ LYS 117 10.551 8.629 8.157 739 HZ3 LYS 117 2HZ LYS 117 9.611 9.901 7.752 740 H ILE 118 H ILE 118 13.138 6.158 5.986 741 HA ILE 118 HA ILE 118 14.765 3.759 5.915 742 HB ILE 118 HB ILE 118 15.691 6.388 6.911 743 HG13 ILE 118 2HG1 ILE 118 16.623 5.133 4.928 744 HG21 ILE 118 1HG2 ILE 118 15.782 3.900 8.554 745 HG22 ILE 118 2HG2 ILE 118 17.237 4.924 8.499 746 HG23 ILE 118 3HG2 ILE 118 15.688 5.606 9.051 747 HD11 ILE 118 3HD1 ILE 118 17.899 6.890 6.237 748 HD12 ILE 118 1HD1 ILE 118 18.601 5.575 7.209 749 HD13 ILE 118 2HD1 ILE 118 18.936 5.669 5.464 750 H TYR 119 H TYR 119 13.967 2.278 7.325 751 HA TYR 119 HA TYR 119 11.613 2.785 8.715 752 HB3 TYR 119 2HB TYR 119 13.581 0.681 9.644 753 HD1 TYR 119 1HD TYR 119 10.703 1.721 10.425 754 HD2 TYR 119 2HD TYR 119 12.141 -1.543 8.063 755 HE1 TYR 119 1HE TYR 119 8.582 0.412 10.929 756 HE2 TYR 119 2HE TYR 119 10.015 -2.840 8.574 757 HH TYR 119 HH TYR 119 7.497 -1.428 10.651 758 H LYS 120 H LYS 120 12.562 1.251 11.204 759 HA LYS 120 HA LYS 120 13.065 3.624 12.752 760 HB3 LYS 120 2HB LYS 120 13.079 1.046 14.154 761 HG3 LYS 120 2HG LYS 120 10.933 3.145 14.380 762 HD3 LYS 120 2HD LYS 120 12.413 2.440 16.791 763 HE3 LYS 120 2HE LYS 120 9.856 3.140 16.207 764 HZ1 LYS 120 3HZ LYS 120 8.995 0.662 16.957 765 HZ2 LYS 120 1HZ LYS 120 8.736 1.390 15.519 766 HZ3 LYS 120 2HZ LYS 120 10.006 0.380 15.706 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -2.583 -22.125 32.632 2 HA2 GLY 1 1HA GLY 1 -5.449 -21.950 33.344 3 HA3 GLY 1 2HA GLY 1 -4.440 -20.593 32.881 4 H SER 2 H SER 2 -6.979 -21.827 31.672 5 HA SER 2 HA SER 2 -6.400 -21.297 29.054 6 HB3 SER 2 2HB SER 2 -6.886 -23.882 28.348 7 HG SER 2 HG SER 2 -4.195 -23.693 28.785 8 H SER 3 H SER 3 -8.370 -20.945 28.007 9 HA SER 3 HA SER 3 -10.636 -22.498 28.655 10 HB3 SER 3 2HB SER 3 -10.628 -19.584 29.561 11 HG SER 3 HG SER 3 -12.751 -19.897 30.119 12 H GLY 4 H GLY 4 -12.640 -21.577 27.419 13 HA2 GLY 4 1HA GLY 4 -13.573 -20.716 25.558 14 HA3 GLY 4 2HA GLY 4 -12.250 -19.572 25.450 15 H SER 5 H SER 5 -13.511 -20.980 23.216 16 HA SER 5 HA SER 5 -11.125 -21.947 22.033 17 HB3 SER 5 2HB SER 5 -11.426 -24.174 22.224 18 HG SER 5 HG SER 5 -12.361 -23.880 24.278 19 H SER 6 H SER 6 -14.734 -21.717 21.912 20 HA SER 6 HA SER 6 -16.104 -21.000 20.390 21 HB3 SER 6 2HB SER 6 -15.301 -19.338 18.677 22 HG SER 6 HG SER 6 -15.439 -18.991 21.242 23 H GLY 7 H GLY 7 -16.904 -21.428 18.155 24 HA2 GLY 7 1HA GLY 7 -15.234 -22.941 16.357 25 HA3 GLY 7 2HA GLY 7 -16.423 -23.919 17.198 26 H ALA 8 H ALA 8 -16.196 -23.124 14.284 27 HA ALA 8 HA ALA 8 -18.953 -22.229 14.027 28 HB1 ALA 8 3HB ALA 8 -18.244 -20.621 12.226 29 HB2 ALA 8 1HB ALA 8 -17.716 -20.153 13.858 30 HB3 ALA 8 2HB ALA 8 -16.555 -20.883 12.723 31 H SER 9 H SER 9 -19.870 -23.918 12.970 32 HA SER 9 HA SER 9 -18.224 -25.204 10.940 33 HB3 SER 9 2HB SER 9 -20.641 -26.681 11.570 34 HG SER 9 HG SER 9 -18.565 -27.556 10.800 35 H ILE 10 H ILE 10 -18.694 -23.775 9.187 36 HA ILE 10 HA ILE 10 -19.821 -23.060 7.429 37 HB ILE 10 HB ILE 10 -21.848 -25.138 8.260 38 HG13 ILE 10 2HG1 ILE 10 -19.368 -25.192 6.570 39 HG21 ILE 10 1HG2 ILE 10 -22.297 -23.057 6.514 40 HG22 ILE 10 2HG2 ILE 10 -21.761 -24.367 5.436 41 HG23 ILE 10 3HG2 ILE 10 -23.149 -24.619 6.521 42 HD11 ILE 10 3HD1 ILE 10 -20.614 -26.707 8.835 43 HD12 ILE 10 1HD1 ILE 10 -19.698 -27.659 7.643 44 HD13 ILE 10 2HD1 ILE 10 -18.902 -26.332 8.523 45 H ASP 11 H ASP 11 -20.249 -20.933 7.801 46 HA ASP 11 HA ASP 11 -22.874 -20.260 8.538 47 HB3 ASP 11 2HB ASP 11 -21.077 -18.825 10.388 48 H ILE 12 H ILE 12 -23.233 -17.905 8.144 49 HA ILE 12 HA ILE 12 -22.915 -16.210 6.708 50 HB ILE 12 HB ILE 12 -20.676 -16.017 8.706 51 HG13 ILE 12 2HG1 ILE 12 -23.063 -15.887 9.458 52 HG21 ILE 12 1HG2 ILE 12 -21.167 -14.340 6.319 53 HG22 ILE 12 2HG2 ILE 12 -20.932 -13.465 7.851 54 HG23 ILE 12 3HG2 ILE 12 -19.684 -14.592 7.269 55 HD11 ILE 12 3HD1 ILE 12 -22.555 -13.257 10.224 56 HD12 ILE 12 1HD1 ILE 12 -21.965 -14.710 11.067 57 HD13 ILE 12 2HD1 ILE 12 -20.929 -13.890 9.873 58 H GLN 13 H GLN 13 -22.629 -17.312 4.709 59 HA GLN 13 HA GLN 13 -19.831 -17.350 3.887 60 HB3 GLN 13 2HB GLN 13 -21.204 -19.170 2.220 61 HG3 GLN 13 2HG GLN 13 -19.405 -19.579 4.652 62 HE21 GLN 13 1HE2 GLN 13 -17.909 -21.478 3.082 63 HE22 GLN 13 2HE2 GLN 13 -18.790 -22.969 3.061 64 H ILE 14 H ILE 14 -19.519 -17.004 1.491 65 HA ILE 14 HA ILE 14 -21.765 -15.510 0.337 66 HB ILE 14 HB ILE 14 -18.933 -14.636 -0.078 67 HG13 ILE 14 2HG1 ILE 14 -19.225 -14.778 2.366 68 HG21 ILE 14 1HG2 ILE 14 -21.403 -12.921 0.059 69 HG22 ILE 14 2HG2 ILE 14 -19.863 -12.625 -0.784 70 HG23 ILE 14 3HG2 ILE 14 -21.001 -13.842 -1.410 71 HD11 ILE 14 3HD1 ILE 14 -18.572 -12.435 0.823 72 HD12 ILE 14 1HD1 ILE 14 -19.427 -11.913 2.294 73 HD13 ILE 14 2HD1 ILE 14 -17.956 -12.907 2.425 74 H ILE 15 H ILE 15 -22.460 -16.948 -1.191 75 HA ILE 15 HA ILE 15 -20.703 -18.690 -2.536 76 HB ILE 15 HB ILE 15 -22.762 -18.928 -4.058 77 HG13 ILE 15 2HG1 ILE 15 -23.623 -16.619 -3.191 78 HG21 ILE 15 1HG2 ILE 15 -23.361 -20.646 -2.748 79 HG22 ILE 15 2HG2 ILE 15 -21.982 -20.139 -1.745 80 HG23 ILE 15 3HG2 ILE 15 -23.628 -19.607 -1.327 81 HD11 ILE 15 3HD1 ILE 15 -24.949 -17.878 -4.753 82 HD12 ILE 15 1HD1 ILE 15 -25.310 -19.130 -3.541 83 HD13 ILE 15 2HD1 ILE 15 -26.024 -17.508 -3.384 84 H ASP 16 H ASP 16 -21.155 -18.596 -5.212 85 HA ASP 16 HA ASP 16 -20.677 -17.595 -7.083 86 HB3 ASP 16 2HB ASP 16 -20.969 -15.231 -7.408 87 H ARG 17 H ARG 17 -18.901 -15.643 -7.897 88 HA ARG 17 HA ARG 17 -16.478 -16.644 -7.435 89 HB3 ARG 17 2HB ARG 17 -15.953 -13.892 -7.752 90 HG3 ARG 17 2HG ARG 17 -16.108 -16.309 -9.411 91 HD3 ARG 17 2HD ARG 17 -17.205 -13.739 -10.490 92 HE ARG 17 HE ARG 17 -14.793 -14.446 -11.565 93 HH11 ARG 17 2HH2 ARG 17 -18.079 -14.785 -12.774 94 HH12 ARG 17 1HH2 ARG 17 -17.614 -14.676 -14.439 95 HH21 ARG 17 2HH1 ARG 17 -14.177 -14.302 -13.761 96 HH22 ARG 17 1HH1 ARG 17 -15.380 -14.399 -15.005 97 HA PRO 18 HA PRO 18 -15.029 -15.152 -3.597 98 HB3 PRO 18 2HB PRO 18 -12.939 -16.084 -3.854 99 HG3 PRO 18 2HG PRO 18 -12.270 -16.359 -6.044 100 HD3 PRO 18 2HD PRO 18 -14.316 -16.444 -7.088 101 H GLY 19 H GLY 19 -13.819 -13.321 -2.316 102 HA2 GLY 19 1HA GLY 19 -14.978 -10.837 -3.413 103 HA3 GLY 19 2HA GLY 19 -14.750 -11.205 -1.716 104 HA PRO 20 HA PRO 20 -11.017 -9.076 -3.533 105 HB3 PRO 20 2HB PRO 20 -11.786 -7.210 -4.640 106 HG3 PRO 20 2HG PRO 20 -14.030 -6.768 -4.340 107 HD3 PRO 20 2HD PRO 20 -14.792 -8.870 -3.808 108 HA PRO 21 HA PRO 21 -9.208 -8.503 0.267 109 HB3 PRO 21 2HB PRO 21 -7.068 -8.367 -0.574 110 HG3 PRO 21 2HG PRO 21 -6.934 -7.612 -2.749 111 HD3 PRO 21 2HD PRO 21 -9.031 -8.170 -3.506 112 H GLN 22 H GLN 22 -9.363 -7.517 2.257 113 HA GLN 22 HA GLN 22 -11.323 -5.771 2.616 114 HB3 GLN 22 2HB GLN 22 -9.649 -4.958 4.625 115 HG3 GLN 22 2HG GLN 22 -10.786 -7.780 4.561 116 HE21 GLN 22 1HE2 GLN 22 -9.010 -7.894 6.165 117 HE22 GLN 22 2HE2 GLN 22 -9.322 -7.383 7.790 118 H ILE 23 H ILE 23 -7.823 -4.797 2.350 119 HA ILE 23 HA ILE 23 -8.651 -2.406 0.954 120 HB ILE 23 HB ILE 23 -8.686 -2.053 3.529 121 HG13 ILE 23 2HG1 ILE 23 -8.655 0.145 3.061 122 HG21 ILE 23 1HG2 ILE 23 -6.488 -3.092 3.946 123 HG22 ILE 23 2HG2 ILE 23 -5.713 -1.799 2.998 124 HG23 ILE 23 3HG2 ILE 23 -6.566 -1.405 4.510 125 HD11 ILE 23 3HD1 ILE 23 -6.001 -0.312 1.622 126 HD12 ILE 23 1HD1 ILE 23 -6.793 1.273 1.801 127 HD13 ILE 23 2HD1 ILE 23 -6.222 0.396 3.240 128 H VAL 24 H VAL 24 -6.712 -1.234 0.055 129 HA VAL 24 HA VAL 24 -4.348 -2.948 -0.056 130 HB VAL 24 HB VAL 24 -5.847 -1.867 -2.452 131 HG11 VAL 24 1HG1 VAL 24 -4.126 -3.095 -3.774 132 HG12 VAL 24 2HG1 VAL 24 -3.465 -1.726 -2.849 133 HG13 VAL 24 3HG1 VAL 24 -3.228 -3.391 -2.267 134 HG21 VAL 24 3HG2 VAL 24 -7.004 -3.776 -2.341 135 HG22 VAL 24 1HG2 VAL 24 -5.486 -4.632 -2.707 136 HG23 VAL 24 2HG2 VAL 24 -5.986 -4.391 -1.016 137 H LYS 25 H LYS 25 -2.651 -1.722 0.558 138 HA LYS 25 HA LYS 25 -2.684 1.089 -0.283 139 HB3 LYS 25 2HB LYS 25 -3.259 1.157 2.021 140 HG3 LYS 25 2HG LYS 25 -1.279 -1.082 2.213 141 HD3 LYS 25 2HD LYS 25 -0.588 1.112 3.662 142 HE3 LYS 25 2HE LYS 25 -3.000 -0.033 4.961 143 HZ1 LYS 25 3HZ LYS 25 -1.924 0.461 7.154 144 HZ2 LYS 25 1HZ LYS 25 -1.509 -0.958 6.460 145 HZ3 LYS 25 2HZ LYS 25 -0.480 0.309 6.409 146 H ILE 26 H ILE 26 -0.304 2.011 0.029 147 HA ILE 26 HA ILE 26 1.483 -0.045 -1.071 148 HB ILE 26 HB ILE 26 1.271 2.905 -1.661 149 HG13 ILE 26 2HG1 ILE 26 0.003 0.666 -2.798 150 HG21 ILE 26 1HG2 ILE 26 3.652 1.909 -1.440 151 HG22 ILE 26 2HG2 ILE 26 3.267 1.069 -2.961 152 HG23 ILE 26 3HG2 ILE 26 3.236 2.847 -2.894 153 HD11 ILE 26 3HD1 ILE 26 -1.099 2.716 -3.031 154 HD12 ILE 26 1HD1 ILE 26 0.390 3.581 -3.482 155 HD13 ILE 26 2HD1 ILE 26 -0.411 2.517 -4.661 156 H GLU 27 H GLU 27 2.649 -0.765 0.665 157 HA GLU 27 HA GLU 27 3.162 0.422 2.961 158 HB3 GLU 27 2HB GLU 27 5.642 -0.811 2.080 159 HG3 GLU 27 2HG GLU 27 4.437 -2.710 3.564 160 H ASP 28 H ASP 28 5.050 0.943 -0.082 161 HA ASP 28 HA ASP 28 5.521 3.582 0.427 162 HB3 ASP 28 2HB ASP 28 8.236 2.653 0.703 163 H VAL 29 H VAL 29 7.735 4.231 -0.974 164 HA VAL 29 HA VAL 29 8.164 2.323 -3.113 165 HB VAL 29 HB VAL 29 6.208 3.439 -3.903 166 HG11 VAL 29 1HG1 VAL 29 7.623 6.087 -3.457 167 HG12 VAL 29 2HG1 VAL 29 5.977 5.842 -4.086 168 HG13 VAL 29 3HG1 VAL 29 6.358 5.418 -2.399 169 HG21 VAL 29 3HG2 VAL 29 8.611 4.702 -5.264 170 HG22 VAL 29 1HG2 VAL 29 8.056 3.030 -5.522 171 HG23 VAL 29 2HG2 VAL 29 7.010 4.395 -5.980 172 H TRP 30 H TRP 30 10.311 2.285 -3.524 173 HA TRP 30 HA TRP 30 11.794 4.776 -3.047 174 HB3 TRP 30 2HB TRP 30 12.247 3.401 -1.160 175 HD1 TRP 30 HD TRP 30 14.441 1.048 -3.193 176 HE1 TRP 30 1HE TRP 30 13.762 -1.479 -2.849 177 HE3 TRP 30 3HE TRP 30 10.115 2.005 -0.698 178 HZ2 TRP 30 2HZ TRP 30 11.542 -2.765 -1.599 179 HZ3 TRP 30 3HZ TRP 30 8.751 0.057 0.050 180 HH2 TRP 30 HH TRP 30 9.401 -2.262 -0.364 181 H GLY 31 H GLY 31 13.580 5.102 -4.518 182 HA2 GLY 31 1HA GLY 31 14.298 5.144 -6.676 183 HA3 GLY 31 2HA GLY 31 14.754 3.497 -6.288 184 H GLU 32 H GLU 32 14.092 2.016 -7.772 185 HA GLU 32 HA GLU 32 11.658 2.665 -9.233 186 HB3 GLU 32 2HB GLU 32 12.538 1.101 -10.977 187 HG3 GLU 32 2HG GLU 32 14.559 3.215 -10.095 188 H ASN 33 H ASN 33 11.480 1.593 -6.577 189 HA ASN 33 HA ASN 33 10.340 -0.994 -7.254 190 HB3 ASN 33 2HB ASN 33 11.111 -1.913 -5.083 191 HD21 ASN 33 1HD2 ASN 33 13.636 0.412 -5.770 192 HD22 ASN 33 2HD2 ASN 33 14.714 -0.640 -6.626 193 H VAL 34 H VAL 34 8.288 -1.344 -6.232 194 HA VAL 34 HA VAL 34 7.410 0.816 -4.443 195 HB VAL 34 HB VAL 34 6.205 -0.378 -6.877 196 HG11 VAL 34 1HG1 VAL 34 3.906 0.203 -6.105 197 HG12 VAL 34 2HG1 VAL 34 4.618 -1.176 -5.235 198 HG13 VAL 34 3HG1 VAL 34 4.551 0.425 -4.461 199 HG21 VAL 34 3HG2 VAL 34 5.985 2.346 -5.551 200 HG22 VAL 34 1HG2 VAL 34 7.092 1.908 -6.874 201 HG23 VAL 34 2HG2 VAL 34 5.333 1.905 -7.147 202 H ALA 35 H ALA 35 6.015 0.206 -2.698 203 HA ALA 35 HA ALA 35 6.072 -2.688 -2.176 204 HB1 ALA 35 3HB ALA 35 6.654 -0.277 -0.491 205 HB2 ALA 35 1HB ALA 35 5.872 -1.672 0.290 206 HB3 ALA 35 2HB ALA 35 7.448 -1.870 -0.516 207 H LEU 36 H LEU 36 4.098 -3.631 -2.212 208 HA LEU 36 HA LEU 36 1.791 -1.865 -1.824 209 HB3 LEU 36 2HB LEU 36 0.593 -3.852 -2.924 210 HG LEU 36 HG LEU 36 2.445 -1.977 -4.352 211 HD11 LEU 36 1HD1 LEU 36 0.758 -3.932 -5.905 212 HD12 LEU 36 2HD1 LEU 36 2.059 -2.861 -6.478 213 HD13 LEU 36 3HD1 LEU 36 2.452 -4.285 -5.485 214 HD21 LEU 36 3HD2 LEU 36 -0.359 -2.151 -5.168 215 HD22 LEU 36 1HD2 LEU 36 -0.148 -1.791 -3.438 216 HD23 LEU 36 2HD2 LEU 36 0.611 -0.745 -4.663 217 H THR 37 H THR 37 0.031 -2.578 -0.465 218 HA THR 37 HA THR 37 0.512 -4.903 1.197 219 HB THR 37 HB THR 37 0.093 -3.196 3.223 220 HG1 THR 37 1HG THR 37 1.244 -1.169 2.550 221 HG21 THR 37 3HG2 THR 37 2.838 -3.020 1.928 222 HG22 THR 37 1HG2 THR 37 2.431 -3.132 3.657 223 HG23 THR 37 2HG2 THR 37 2.274 -4.563 2.611 224 H TRP 38 H TRP 38 -1.341 -5.994 1.134 225 HA TRP 38 HA TRP 38 -3.805 -4.392 1.233 226 HB3 TRP 38 2HB TRP 38 -3.616 -5.228 -0.988 227 HD1 TRP 38 HD TRP 38 -4.284 -8.761 0.414 228 HE1 TRP 38 1HE TRP 38 -2.612 -10.526 -0.613 229 HE3 TRP 38 3HE TRP 38 -1.354 -5.369 -1.985 230 HZ2 TRP 38 2HZ TRP 38 -0.303 -10.309 -2.277 231 HZ3 TRP 38 3HZ TRP 38 0.589 -6.229 -3.290 232 HH2 TRP 38 HH TRP 38 1.134 -8.605 -3.457 233 H THR 39 H THR 39 -5.532 -5.359 2.496 234 HA THR 39 HA THR 39 -4.490 -7.146 4.553 235 HB THR 39 HB THR 39 -6.725 -6.431 5.637 236 HG1 THR 39 1HG THR 39 -7.690 -4.607 4.437 237 HG21 THR 39 3HG2 THR 39 -6.015 -3.893 5.708 238 HG22 THR 39 1HG2 THR 39 -4.905 -5.095 6.409 239 HG23 THR 39 2HG2 THR 39 -4.592 -4.434 4.786 240 HA PRO 40 HA PRO 40 -6.683 -10.584 3.229 241 HB3 PRO 40 2HB PRO 40 -5.708 -11.933 4.820 242 HG3 PRO 40 2HG PRO 40 -4.947 -10.819 6.691 243 HD3 PRO 40 2HD PRO 40 -4.639 -8.716 5.817 244 HA PRO 41 HA PRO 41 -10.890 -10.047 3.224 245 HB3 PRO 41 2HB PRO 41 -11.204 -11.444 1.421 246 HG3 PRO 41 2HG PRO 41 -9.550 -13.025 1.128 247 HD3 PRO 41 2HD PRO 41 -7.800 -11.987 2.199 248 H LYS 42 H LYS 42 -12.642 -9.821 4.542 249 HA LYS 42 HA LYS 42 -12.241 -10.917 7.147 250 HB3 LYS 42 2HB LYS 42 -14.762 -9.777 7.114 251 HG3 LYS 42 2HG LYS 42 -12.224 -8.129 7.371 252 HD3 LYS 42 2HD LYS 42 -13.595 -7.512 9.541 253 HE3 LYS 42 2HE LYS 42 -13.467 -6.414 6.934 254 HZ1 LYS 42 3HZ LYS 42 -15.867 -7.278 6.952 255 HZ2 LYS 42 1HZ LYS 42 -16.168 -6.010 7.937 256 HZ3 LYS 42 2HZ LYS 42 -15.577 -5.757 6.436 257 H ASP 43 H ASP 43 -13.414 -12.206 4.265 258 HA ASP 43 HA ASP 43 -14.920 -14.158 5.803 259 HB3 ASP 43 2HB ASP 43 -15.701 -13.190 3.016 260 H ASP 44 H ASP 44 -15.044 -16.316 4.569 261 HA ASP 44 HA ASP 44 -13.725 -16.775 2.227 262 HB3 ASP 44 2HB ASP 44 -11.981 -16.970 4.702 263 H GLY 45 H GLY 45 -14.986 -18.583 1.742 264 HA2 GLY 45 1HA GLY 45 -14.837 -20.914 3.447 265 HA3 GLY 45 2HA GLY 45 -16.417 -20.158 3.399 266 H ASN 46 H ASN 46 -17.318 -19.653 1.120 267 HA ASN 46 HA ASN 46 -17.655 -21.916 -0.261 268 HB3 ASN 46 2HB ASN 46 -17.821 -19.986 -2.280 269 HD21 ASN 46 1HD2 ASN 46 -19.688 -19.311 0.577 270 HD22 ASN 46 2HD2 ASN 46 -21.131 -20.166 0.147 271 H ALA 47 H ALA 47 -15.418 -19.173 -1.161 272 HA ALA 47 HA ALA 47 -13.848 -21.118 -2.711 273 HB1 ALA 47 3HB ALA 47 -13.558 -18.225 -3.299 274 HB2 ALA 47 1HB ALA 47 -13.692 -19.611 -4.408 275 HB3 ALA 47 2HB ALA 47 -15.155 -18.913 -3.673 276 H ALA 48 H ALA 48 -12.196 -21.740 -1.376 277 HA ALA 48 HA ALA 48 -11.140 -19.999 0.599 278 HB1 ALA 48 3HB ALA 48 -10.255 -22.671 -0.555 279 HB2 ALA 48 1HB ALA 48 -9.446 -21.870 0.812 280 HB3 ALA 48 2HB ALA 48 -11.144 -22.384 0.960 281 H ILE 49 H ILE 49 -10.008 -18.193 0.070 282 HA ILE 49 HA ILE 49 -8.855 -17.670 -2.351 283 HB ILE 49 HB ILE 49 -8.241 -16.663 0.419 284 HG13 ILE 49 2HG1 ILE 49 -10.220 -16.052 -1.657 285 HG21 ILE 49 1HG2 ILE 49 -6.667 -16.319 -1.964 286 HG22 ILE 49 2HG2 ILE 49 -7.392 -14.765 -1.488 287 HG23 ILE 49 3HG2 ILE 49 -6.398 -15.677 -0.325 288 HD11 ILE 49 3HD1 ILE 49 -11.051 -16.572 0.505 289 HD12 ILE 49 1HD1 ILE 49 -9.817 -15.577 1.313 290 HD13 ILE 49 2HD1 ILE 49 -11.151 -14.796 0.432 291 H THR 50 H THR 50 -7.302 -18.719 -3.461 292 HA THR 50 HA THR 50 -5.365 -20.292 -1.946 293 HB THR 50 HB THR 50 -5.833 -20.134 -4.965 294 HG1 THR 50 1HG THR 50 -6.919 -21.922 -2.909 295 HG21 THR 50 3HG2 THR 50 -4.976 -22.433 -4.936 296 HG22 THR 50 1HG2 THR 50 -3.789 -21.398 -4.109 297 HG23 THR 50 2HG2 THR 50 -4.893 -22.420 -3.159 298 H GLY 51 H GLY 51 -5.380 -17.840 -4.622 299 HA2 GLY 51 1HA GLY 51 -2.849 -16.821 -3.522 300 HA3 GLY 51 2HA GLY 51 -2.927 -17.298 -5.207 301 H TYR 52 H TYR 52 -2.259 -14.771 -5.044 302 HA TYR 52 HA TYR 52 -4.749 -13.328 -5.610 303 HB3 TYR 52 2HB TYR 52 -3.423 -11.354 -4.506 304 HD1 TYR 52 1HD TYR 52 -2.966 -14.284 -2.285 305 HD2 TYR 52 2HD TYR 52 -5.537 -11.053 -3.403 306 HE1 TYR 52 1HE TYR 52 -4.387 -14.688 -0.216 307 HE2 TYR 52 2HE TYR 52 -6.950 -11.469 -1.330 308 HH TYR 52 HH TYR 52 -6.028 -13.980 1.004 309 H THR 53 H THR 53 -4.720 -12.445 -7.615 310 HA THR 53 HA THR 53 -2.157 -12.340 -9.001 311 HB THR 53 HB THR 53 -5.052 -11.983 -9.941 312 HG1 THR 53 1HG THR 53 -4.408 -14.222 -10.763 313 HG21 THR 53 3HG2 THR 53 -3.075 -11.054 -11.413 314 HG22 THR 53 1HG2 THR 53 -2.632 -12.766 -11.615 315 HG23 THR 53 2HG2 THR 53 -4.220 -12.186 -12.171 316 H ILE 54 H ILE 54 -0.966 -10.553 -9.131 317 HA ILE 54 HA ILE 54 -2.351 -8.022 -8.603 318 HB ILE 54 HB ILE 54 0.540 -8.815 -8.239 319 HG13 ILE 54 2HG1 ILE 54 -1.770 -9.060 -6.549 320 HG21 ILE 54 1HG2 ILE 54 0.608 -6.523 -7.069 321 HG22 ILE 54 2HG2 ILE 54 0.664 -6.568 -8.847 322 HG23 ILE 54 3HG2 ILE 54 -0.854 -6.154 -8.016 323 HD11 ILE 54 3HD1 ILE 54 -0.050 -10.071 -5.021 324 HD12 ILE 54 1HD1 ILE 54 0.034 -10.718 -6.677 325 HD13 ILE 54 2HD1 ILE 54 1.222 -9.509 -6.132 326 H GLN 55 H GLN 55 -1.688 -6.130 -9.886 327 HA GLN 55 HA GLN 55 -0.236 -6.700 -12.283 328 HB3 GLN 55 2HB GLN 55 -1.958 -6.297 -13.858 329 HG3 GLN 55 2HG GLN 55 -3.232 -7.822 -11.537 330 HE21 GLN 55 1HE2 GLN 55 -2.960 -8.196 -15.050 331 HE22 GLN 55 2HE2 GLN 55 -4.654 -8.267 -15.404 332 H LYS 56 H LYS 56 0.279 -4.687 -13.504 333 HA LYS 56 HA LYS 56 -0.218 -2.277 -11.906 334 HB3 LYS 56 2HB LYS 56 2.056 -3.217 -11.459 335 HG3 LYS 56 2HG LYS 56 2.656 -2.365 -14.324 336 HD3 LYS 56 2HD LYS 56 4.224 -3.906 -12.204 337 HE3 LYS 56 2HE LYS 56 5.031 -3.092 -15.037 338 HZ1 LYS 56 3HZ LYS 56 7.054 -3.931 -14.511 339 HZ2 LYS 56 1HZ LYS 56 6.663 -3.298 -13.057 340 HZ3 LYS 56 2HZ LYS 56 6.507 -4.902 -13.317 341 H ALA 57 H ALA 57 -0.295 -0.294 -13.130 342 HA ALA 57 HA ALA 57 -0.071 -0.445 -15.986 343 HB1 ALA 57 3HB ALA 57 -2.269 -1.410 -15.809 344 HB2 ALA 57 1HB ALA 57 -2.774 -0.189 -14.617 345 HB3 ALA 57 2HB ALA 57 -2.480 0.285 -16.307 346 H ASP 58 H ASP 58 0.884 1.445 -16.533 347 HA ASP 58 HA ASP 58 1.062 3.510 -14.656 348 HB3 ASP 58 2HB ASP 58 1.701 4.565 -17.213 349 H LYS 59 H LYS 59 0.630 5.937 -15.742 350 HA LYS 59 HA LYS 59 -2.224 5.935 -16.279 351 HB3 LYS 59 2HB LYS 59 -1.463 8.563 -16.085 352 HG3 LYS 59 2HG LYS 59 -1.851 7.760 -13.433 353 HD3 LYS 59 2HD LYS 59 -4.425 7.911 -14.410 354 HE3 LYS 59 2HE LYS 59 -2.778 9.524 -12.924 355 HZ1 LYS 59 3HZ LYS 59 -2.208 11.352 -14.024 356 HZ2 LYS 59 1HZ LYS 59 -2.338 10.449 -15.378 357 HZ3 LYS 59 2HZ LYS 59 -3.574 11.411 -14.917 358 H LYS 60 H LYS 60 -0.020 5.093 -18.252 359 HA LYS 60 HA LYS 60 -0.355 7.187 -20.252 360 HB3 LYS 60 2HB LYS 60 1.857 5.836 -19.554 361 HG3 LYS 60 2HG LYS 60 2.179 4.270 -21.649 362 HD3 LYS 60 2HD LYS 60 0.557 2.563 -20.078 363 HE3 LYS 60 2HE LYS 60 3.243 2.908 -18.973 364 HZ1 LYS 60 3HZ LYS 60 3.303 0.712 -19.416 365 HZ2 LYS 60 1HZ LYS 60 1.681 0.894 -19.448 366 HZ3 LYS 60 2HZ LYS 60 2.523 0.823 -20.846 367 H SER 61 H SER 61 -0.980 3.675 -19.670 368 HA SER 61 HA SER 61 -2.901 3.860 -21.859 369 HB3 SER 61 2HB SER 61 -2.523 1.289 -21.988 370 HG SER 61 HG SER 61 -0.912 3.383 -22.933 371 H MET 62 H MET 62 -2.104 2.739 -18.565 372 HA MET 62 HA MET 62 -3.364 2.235 -16.861 373 HB3 MET 62 2HB MET 62 -6.080 2.473 -17.775 374 HG3 MET 62 2HG MET 62 -5.286 4.984 -16.731 375 HE1 MET 62 3HE MET 62 -6.593 1.089 -14.951 376 HE2 MET 62 1HE MET 62 -4.944 1.631 -15.344 377 HE3 MET 62 2HE MET 62 -5.630 1.962 -13.735 378 H GLU 63 H GLU 63 -2.687 0.303 -19.074 379 HA GLU 63 HA GLU 63 -4.908 -1.547 -18.762 380 HB3 GLU 63 2HB GLU 63 -3.688 -2.819 -20.624 381 HG3 GLU 63 2HG GLU 63 -4.153 -0.130 -21.788 382 H TRP 64 H TRP 64 -4.624 -3.590 -17.795 383 HA TRP 64 HA TRP 64 -2.231 -3.804 -16.173 384 HB3 TRP 64 2HB TRP 64 -3.414 -5.506 -14.976 385 HD1 TRP 64 HD TRP 64 -6.646 -3.822 -16.058 386 HE1 TRP 64 1HE TRP 64 -7.418 -1.970 -14.343 387 HE3 TRP 64 3HE TRP 64 -2.342 -3.789 -13.352 388 HZ2 TRP 64 2HZ TRP 64 -6.170 -0.728 -12.097 389 HZ3 TRP 64 3HZ TRP 64 -2.200 -2.227 -11.414 390 HH2 TRP 64 HH TRP 64 -4.024 -0.732 -10.773 391 H PHE 65 H PHE 65 -0.572 -5.241 -16.588 392 HA PHE 65 HA PHE 65 -1.027 -7.101 -18.815 393 HB3 PHE 65 2HB PHE 65 1.697 -6.666 -18.736 394 HD1 PHE 65 1HD PHE 65 -0.506 -3.750 -19.392 395 HD2 PHE 65 2HD PHE 65 1.659 -6.998 -21.057 396 HE1 PHE 65 1HE PHE 65 -0.930 -2.851 -21.696 397 HE2 PHE 65 2HE PHE 65 1.234 -6.098 -23.362 398 HZ PHE 65 HZ PHE 65 -0.054 -4.036 -23.654 399 H THR 66 H THR 66 -1.373 -7.456 -15.824 400 HA THR 66 HA THR 66 -0.922 -8.991 -14.281 401 HB THR 66 HB THR 66 0.200 -10.333 -16.782 402 HG1 THR 66 1HG THR 66 -1.828 -11.559 -16.260 403 HG21 THR 66 3HG2 THR 66 1.352 -11.314 -14.761 404 HG22 THR 66 1HG2 THR 66 -0.244 -11.571 -14.014 405 HG23 THR 66 2HG2 THR 66 0.197 -12.452 -15.496 406 H VAL 67 H VAL 67 0.511 -9.251 -12.619 407 HA VAL 67 HA VAL 67 3.265 -8.420 -13.224 408 HB VAL 67 HB VAL 67 1.379 -7.617 -11.032 409 HG11 VAL 67 1HG1 VAL 67 2.983 -7.929 -9.494 410 HG12 VAL 67 2HG1 VAL 67 4.230 -8.229 -10.728 411 HG13 VAL 67 3HG1 VAL 67 3.819 -6.559 -10.264 412 HG21 VAL 67 3HG2 VAL 67 1.590 -6.174 -13.011 413 HG22 VAL 67 1HG2 VAL 67 2.221 -5.372 -11.552 414 HG23 VAL 67 2HG2 VAL 67 3.347 -6.062 -12.747 415 H ILE 68 H ILE 68 1.046 -10.319 -11.097 416 HA ILE 68 HA ILE 68 3.023 -12.413 -11.014 417 HB ILE 68 HB ILE 68 3.248 -10.565 -9.060 418 HG13 ILE 68 2HG1 ILE 68 4.426 -12.930 -9.713 419 HG21 ILE 68 1HG2 ILE 68 1.751 -12.695 -7.592 420 HG22 ILE 68 2HG2 ILE 68 2.056 -10.996 -7.157 421 HG23 ILE 68 3HG2 ILE 68 0.833 -11.395 -8.387 422 HD11 ILE 68 3HD1 ILE 68 6.028 -12.422 -7.915 423 HD12 ILE 68 1HD1 ILE 68 5.495 -10.909 -8.687 424 HD13 ILE 68 2HD1 ILE 68 4.826 -11.386 -7.108 425 H GLU 69 H GLU 69 2.098 -14.445 -10.174 426 HA GLU 69 HA GLU 69 -0.781 -14.346 -9.887 427 HB3 GLU 69 2HB GLU 69 -0.984 -16.316 -11.475 428 HG3 GLU 69 2HG GLU 69 0.190 -14.290 -13.259 429 H HIS 70 H HIS 70 -1.675 -16.282 -8.823 430 HA HIS 70 HA HIS 70 -1.639 -17.732 -7.170 431 HB3 HIS 70 2HB HIS 70 -0.556 -19.744 -7.581 432 HD1 HIS 70 1HD HIS 70 -2.287 -20.567 -9.222 433 HD2 HIS 70 2HD HIS 70 0.411 -17.859 -10.949 434 HE1 HIS 70 1HE HIS 70 -2.796 -20.548 -11.723 435 H TYR 71 H TYR 71 -0.840 -15.474 -6.118 436 HA TYR 71 HA TYR 71 1.575 -16.168 -4.586 437 HB3 TYR 71 2HB TYR 71 0.408 -13.456 -5.477 438 HD1 TYR 71 2HD TYR 71 2.674 -15.186 -3.241 439 HD2 TYR 71 1HD TYR 71 1.956 -11.474 -5.245 440 HE1 TYR 71 2HE TYR 71 4.262 -14.007 -1.643 441 HE2 TYR 71 1HE TYR 71 3.546 -10.308 -3.639 442 HH TYR 71 HH TYR 71 5.280 -10.740 -2.196 443 H HIS 72 H HIS 72 1.324 -16.265 -2.399 444 HA HIS 72 HA HIS 72 -1.300 -15.631 -1.378 445 HB3 HIS 72 2HB HIS 72 -0.384 -16.699 0.711 446 HD1 HIS 72 1HD HIS 72 -1.726 -18.791 0.818 447 HD2 HIS 72 2HD HIS 72 0.283 -18.409 -2.844 448 HE1 HIS 72 1HE HIS 72 -2.373 -20.832 -0.568 449 H ARG 73 H ARG 73 1.393 -15.332 0.834 450 HA ARG 73 HA ARG 73 1.782 -13.680 2.229 451 HB3 ARG 73 2HB ARG 73 2.401 -11.642 0.216 452 HG3 ARG 73 2HG ARG 73 3.600 -12.043 2.408 453 HD3 ARG 73 2HD ARG 73 3.876 -14.704 1.248 454 HE ARG 73 HE ARG 73 6.134 -14.369 0.614 455 HH11 ARG 73 2HH2 ARG 73 5.557 -13.118 3.852 456 HH12 ARG 73 1HH2 ARG 73 7.240 -12.922 4.214 457 HH21 ARG 73 2HH1 ARG 73 8.354 -14.110 1.091 458 HH22 ARG 73 1HH1 ARG 73 8.841 -13.490 2.632 459 H THR 74 H THR 74 1.710 -10.756 1.723 460 HA THR 74 HA THR 74 -1.101 -10.202 1.208 461 HB THR 74 HB THR 74 -0.995 -8.868 3.496 462 HG1 THR 74 1HG THR 74 0.476 -10.286 4.913 463 HG21 THR 74 3HG2 THR 74 -2.073 -11.338 2.865 464 HG22 THR 74 1HG2 THR 74 -0.922 -11.780 4.149 465 HG23 THR 74 2HG2 THR 74 -2.198 -10.582 4.472 466 H SER 75 H SER 75 1.707 -9.694 0.059 467 HA SER 75 HA SER 75 1.145 -6.977 -0.538 468 HB3 SER 75 2HB SER 75 2.409 -6.207 1.227 469 HG SER 75 HG SER 75 3.445 -7.579 2.490 470 H ALA 76 H ALA 76 3.234 -6.152 -1.984 471 HA ALA 76 HA ALA 76 4.568 -8.287 -3.342 472 HB1 ALA 76 3HB ALA 76 2.057 -7.087 -4.414 473 HB2 ALA 76 1HB ALA 76 3.406 -7.259 -5.563 474 HB3 ALA 76 2HB ALA 76 2.778 -8.688 -4.708 475 H THR 77 H THR 77 6.368 -7.506 -4.493 476 HA THR 77 HA THR 77 6.766 -4.600 -4.233 477 HB THR 77 HB THR 77 8.813 -6.873 -4.403 478 HG1 THR 77 1HG THR 77 8.900 -6.185 -2.029 479 HG21 THR 77 3HG2 THR 77 9.249 -4.175 -4.819 480 HG22 THR 77 1HG2 THR 77 9.392 -4.275 -3.047 481 HG23 THR 77 2HG2 THR 77 10.446 -5.267 -4.082 482 H ILE 78 H ILE 78 6.417 -3.507 -6.056 483 HA ILE 78 HA ILE 78 6.637 -4.882 -8.576 484 HB ILE 78 HB ILE 78 6.030 -1.974 -8.061 485 HG13 ILE 78 2HG1 ILE 78 3.716 -2.495 -7.866 486 HG21 ILE 78 1HG2 ILE 78 4.723 -3.382 -10.280 487 HG22 ILE 78 2HG2 ILE 78 5.535 -1.799 -10.235 488 HG23 ILE 78 3HG2 ILE 78 6.494 -3.287 -10.425 489 HD11 ILE 78 3HD1 ILE 78 4.619 -5.261 -8.691 490 HD12 ILE 78 1HD1 ILE 78 3.169 -5.079 -7.676 491 HD13 ILE 78 2HD1 ILE 78 3.235 -4.307 -9.278 492 H THR 79 H THR 79 8.126 -4.413 -10.250 493 HA THR 79 HA THR 79 10.385 -2.710 -9.454 494 HB THR 79 HB THR 79 11.771 -4.611 -10.645 495 HG1 THR 79 1HG THR 79 9.748 -5.687 -11.351 496 HG21 THR 79 3HG2 THR 79 12.052 -4.366 -8.238 497 HG22 THR 79 1HG2 THR 79 10.411 -4.986 -7.930 498 HG23 THR 79 2HG2 THR 79 11.678 -6.080 -8.535 499 H GLU 80 H GLU 80 11.937 -2.678 -11.602 500 HA GLU 80 HA GLU 80 12.136 -1.638 -13.505 501 HB3 GLU 80 2HB GLU 80 10.669 -2.587 -15.419 502 HG3 GLU 80 2HG GLU 80 12.513 -4.126 -13.602 503 H LEU 81 H LEU 81 11.202 0.273 -12.150 504 HA LEU 81 HA LEU 81 8.787 1.230 -13.521 505 HB3 LEU 81 2HB LEU 81 8.340 2.532 -11.442 506 HG LEU 81 HG LEU 81 8.371 -0.483 -11.200 507 HD11 LEU 81 1HD1 LEU 81 7.702 -0.429 -9.078 508 HD12 LEU 81 2HD1 LEU 81 8.250 1.264 -9.046 509 HD13 LEU 81 3HD1 LEU 81 6.546 0.887 -9.392 510 HD21 LEU 81 3HD2 LEU 81 6.797 -0.032 -12.802 511 HD22 LEU 81 1HD2 LEU 81 5.802 0.082 -11.331 512 HD23 LEU 81 2HD2 LEU 81 6.393 1.563 -12.122 513 H VAL 82 H VAL 82 8.734 3.512 -14.028 514 HA VAL 82 HA VAL 82 11.445 4.567 -14.337 515 HB VAL 82 HB VAL 82 8.829 5.112 -15.742 516 HG11 VAL 82 1HG1 VAL 82 11.298 6.736 -15.585 517 HG12 VAL 82 2HG1 VAL 82 10.689 6.436 -17.230 518 HG13 VAL 82 3HG1 VAL 82 9.637 7.205 -16.019 519 HG21 VAL 82 3HG2 VAL 82 9.550 3.760 -17.392 520 HG22 VAL 82 1HG2 VAL 82 11.221 4.365 -17.293 521 HG23 VAL 82 2HG2 VAL 82 10.660 3.111 -16.162 522 H ILE 83 H ILE 83 12.096 6.436 -13.331 523 HA ILE 83 HA ILE 83 10.448 7.397 -11.224 524 HB ILE 83 HB ILE 83 13.143 8.178 -12.315 525 HG13 ILE 83 2HG1 ILE 83 12.839 5.993 -11.087 526 HG21 ILE 83 1HG2 ILE 83 11.404 9.596 -10.368 527 HG22 ILE 83 2HG2 ILE 83 13.121 9.409 -9.933 528 HG23 ILE 83 3HG2 ILE 83 12.670 10.219 -11.453 529 HD11 ILE 83 3HD1 ILE 83 14.536 7.572 -9.246 530 HD12 ILE 83 1HD1 ILE 83 14.971 6.211 -10.306 531 HD13 ILE 83 2HD1 ILE 83 14.886 7.860 -10.967 532 H GLY 84 H GLY 84 9.444 9.440 -10.995 533 HA2 GLY 84 1HA GLY 84 8.620 11.452 -11.678 534 HA3 GLY 84 2HA GLY 84 9.496 11.317 -13.189 535 H ASN 85 H ASN 85 7.090 9.087 -11.630 536 HA ASN 85 HA ASN 85 5.066 9.825 -13.438 537 HB3 ASN 85 2HB ASN 85 5.070 7.212 -14.249 538 HD21 ASN 85 1HD2 ASN 85 7.530 7.559 -16.050 539 HD22 ASN 85 2HD2 ASN 85 7.036 8.699 -17.258 540 H GLU 86 H GLU 86 3.089 8.297 -13.081 541 HA GLU 86 HA GLU 86 3.334 7.068 -10.445 542 HB3 GLU 86 2HB GLU 86 1.962 9.130 -10.402 543 HG3 GLU 86 2HG GLU 86 -0.392 8.757 -11.579 544 H TYR 87 H TYR 87 2.119 5.094 -10.070 545 HA TYR 87 HA TYR 87 1.039 3.870 -12.509 546 HB3 TYR 87 2HB TYR 87 2.253 1.771 -11.692 547 HD1 TYR 87 2HD TYR 87 4.421 4.736 -10.984 548 HD2 TYR 87 1HD TYR 87 3.402 1.623 -13.737 549 HE1 TYR 87 2HE TYR 87 6.410 5.360 -12.437 550 HE2 TYR 87 1HE TYR 87 5.395 2.258 -15.181 551 HH TYR 87 HH TYR 87 6.967 5.125 -14.921 552 H TYR 88 H TYR 88 -0.442 2.045 -12.075 553 HA TYR 88 HA TYR 88 -1.741 2.403 -9.463 554 HB3 TYR 88 2HB TYR 88 -3.602 1.200 -11.004 555 HD1 TYR 88 1HD TYR 88 -3.730 3.390 -9.179 556 HD2 TYR 88 2HD TYR 88 -3.434 3.518 -13.445 557 HE1 TYR 88 1HE TYR 88 -4.821 5.687 -9.193 558 HE2 TYR 88 2HE TYR 88 -4.525 5.815 -13.444 559 HH TYR 88 HH TYR 88 -5.059 7.556 -10.486 560 H PHE 89 H PHE 89 -2.792 0.446 -8.524 561 HA PHE 89 HA PHE 89 -1.745 -2.077 -9.479 562 HB3 PHE 89 2HB PHE 89 -0.720 -2.554 -7.264 563 HD1 PHE 89 1HD PHE 89 1.110 -2.461 -8.977 564 HD2 PHE 89 2HD PHE 89 -0.171 0.983 -6.854 565 HE1 PHE 89 1HE PHE 89 3.241 -1.288 -9.593 566 HE2 PHE 89 2HE PHE 89 1.961 2.156 -7.470 567 HZ PHE 89 HZ PHE 89 3.642 1.006 -8.832 568 H ARG 90 H ARG 90 -3.164 -3.755 -9.081 569 HA ARG 90 HA ARG 90 -5.194 -3.258 -7.076 570 HB3 ARG 90 2HB ARG 90 -6.035 -2.677 -9.439 571 HG3 ARG 90 2HG ARG 90 -5.934 -5.715 -9.746 572 HD3 ARG 90 2HD ARG 90 -6.836 -3.480 -11.628 573 HE ARG 90 HE ARG 90 -5.921 -6.135 -12.240 574 HH11 ARG 90 2HH2 ARG 90 -8.539 -3.909 -12.995 575 HH12 ARG 90 1HH2 ARG 90 -8.843 -4.595 -14.556 576 HH21 ARG 90 2HH1 ARG 90 -6.322 -7.042 -14.299 577 HH22 ARG 90 1HH1 ARG 90 -7.573 -6.390 -15.302 578 H VAL 91 H VAL 91 -5.615 -5.093 -5.829 579 HA VAL 91 HA VAL 91 -4.252 -7.536 -6.687 580 HB VAL 91 HB VAL 91 -5.213 -6.561 -3.991 581 HG11 VAL 91 1HG1 VAL 91 -3.432 -8.842 -3.890 582 HG12 VAL 91 2HG1 VAL 91 -5.046 -8.630 -3.168 583 HG13 VAL 91 3HG1 VAL 91 -4.889 -9.227 -4.839 584 HG21 VAL 91 3HG2 VAL 91 -3.257 -5.465 -4.026 585 HG22 VAL 91 1HG2 VAL 91 -2.492 -7.062 -3.852 586 HG23 VAL 91 2HG2 VAL 91 -2.693 -6.342 -5.468 587 H PHE 92 H PHE 92 -5.391 -9.336 -7.254 588 HA PHE 92 HA PHE 92 -8.297 -9.132 -6.976 589 HB3 PHE 92 2HB PHE 92 -7.756 -11.240 -8.688 590 HD1 PHE 92 2HD PHE 92 -9.816 -9.197 -8.446 591 HD2 PHE 92 1HD PHE 92 -6.404 -9.296 -10.967 592 HE1 PHE 92 2HE PHE 92 -10.986 -7.703 -10.088 593 HE2 PHE 92 1HE PHE 92 -7.574 -7.802 -12.609 594 HZ PHE 92 HZ PHE 92 -9.851 -7.023 -12.150 595 H SER 93 H SER 93 -9.331 -11.509 -6.958 596 HA SER 93 HA SER 93 -7.845 -12.985 -4.926 597 HB3 SER 93 2HB SER 93 -10.169 -13.712 -4.115 598 HG SER 93 HG SER 93 -9.832 -10.850 -3.994 599 H GLU 94 H GLU 94 -7.244 -15.009 -5.604 600 HA GLU 94 HA GLU 94 -8.857 -16.167 -7.742 601 HB3 GLU 94 2HB GLU 94 -6.526 -17.546 -7.941 602 HG3 GLU 94 2HG GLU 94 -5.939 -15.185 -9.350 603 H ASN 95 H ASN 95 -8.463 -18.747 -7.763 604 HA ASN 95 HA ASN 95 -7.846 -20.083 -5.484 605 HB3 ASN 95 2HB ASN 95 -10.768 -19.208 -5.598 606 HD21 ASN 95 1HD2 ASN 95 -11.937 -20.084 -3.607 607 HD22 ASN 95 2HD2 ASN 95 -11.878 -21.796 -3.354 608 H MET 96 H MET 96 -10.956 -20.127 -7.392 609 HA MET 96 HA MET 96 -9.894 -22.245 -9.027 610 HB3 MET 96 2HB MET 96 -10.849 -23.729 -7.473 611 HG3 MET 96 2HG MET 96 -12.317 -21.309 -6.645 612 HE1 MET 96 3HE MET 96 -13.640 -22.315 -4.336 613 HE2 MET 96 1HE MET 96 -15.327 -22.800 -4.634 614 HE3 MET 96 2HE MET 96 -14.066 -24.041 -4.431 615 H CYS 97 H CYS 97 -12.685 -20.141 -8.121 616 HA CYS 97 HA CYS 97 -14.114 -20.447 -10.472 617 HB3 CYS 97 2HB CYS 97 -14.840 -17.963 -9.773 618 HG CYS 97 HG CYS 97 -15.449 -20.991 -9.012 619 H GLY 98 H GLY 98 -11.851 -17.773 -9.454 620 HA2 GLY 98 1HA GLY 98 -10.218 -17.603 -11.576 621 HA3 GLY 98 2HA GLY 98 -11.664 -16.823 -12.187 622 H LEU 99 H LEU 99 -11.417 -14.633 -12.100 623 HA LEU 99 HA LEU 99 -10.016 -13.540 -9.772 624 HB3 LEU 99 2HB LEU 99 -9.842 -11.495 -11.192 625 HG LEU 99 HG LEU 99 -8.200 -12.327 -12.835 626 HD11 LEU 99 1HD1 LEU 99 -8.052 -13.273 -9.979 627 HD12 LEU 99 2HD1 LEU 99 -6.709 -13.538 -11.116 628 HD13 LEU 99 3HD1 LEU 99 -7.254 -11.882 -10.753 629 HD21 LEU 99 3HD2 LEU 99 -9.607 -14.515 -13.162 630 HD22 LEU 99 1HD2 LEU 99 -7.837 -14.538 -13.355 631 HD23 LEU 99 2HD2 LEU 99 -8.577 -15.133 -11.849 632 H SER 100 H SER 100 -10.908 -11.555 -8.772 633 HA SER 100 HA SER 100 -13.661 -11.927 -8.304 634 HB3 SER 100 2HB SER 100 -11.934 -11.128 -6.617 635 HG SER 100 HG SER 100 -12.183 -8.494 -6.955 636 H GLU 101 H GLU 101 -15.419 -10.453 -8.785 637 HA GLU 101 HA GLU 101 -15.348 -9.404 -11.318 638 HB3 GLU 101 2HB GLU 101 -17.382 -8.004 -9.942 639 HG3 GLU 101 2HG GLU 101 -18.110 -10.734 -10.787 640 H ASP 102 H ASP 102 -14.549 -7.952 -8.163 641 HA ASP 102 HA ASP 102 -13.634 -5.623 -9.627 642 HB3 ASP 102 2HB ASP 102 -15.455 -4.533 -8.725 643 H ALA 103 H ALA 103 -11.772 -4.583 -8.553 644 HA ALA 103 HA ALA 103 -10.674 -6.184 -6.343 645 HB1 ALA 103 3HB ALA 103 -8.605 -6.231 -7.371 646 HB2 ALA 103 1HB ALA 103 -9.653 -6.239 -8.810 647 HB3 ALA 103 2HB ALA 103 -8.896 -4.721 -8.270 648 H THR 104 H THR 104 -9.322 -4.977 -4.811 649 HA THR 104 HA THR 104 -10.341 -2.267 -4.494 650 HB THR 104 HB THR 104 -8.890 -4.296 -2.733 651 HG1 THR 104 1HG THR 104 -11.214 -4.456 -3.014 652 HG21 THR 104 3HG2 THR 104 -8.763 -1.429 -2.484 653 HG22 THR 104 1HG2 THR 104 -9.936 -2.015 -1.281 654 HG23 THR 104 2HG2 THR 104 -8.271 -2.647 -1.281 655 H MET 105 H MET 105 -9.306 -0.866 -5.839 656 HA MET 105 HA MET 105 -6.485 -1.123 -6.186 657 HB3 MET 105 2HB MET 105 -8.080 1.318 -7.026 658 HG3 MET 105 2HG MET 105 -5.772 -0.322 -8.066 659 HE1 MET 105 3HE MET 105 -6.764 2.879 -9.398 660 HE2 MET 105 1HE MET 105 -5.604 2.344 -10.638 661 HE3 MET 105 2HE MET 105 -7.309 2.621 -11.072 662 H THR 106 H THR 106 -4.907 0.579 -5.665 663 HA THR 106 HA THR 106 -5.160 1.517 -3.041 664 HB THR 106 HB THR 106 -3.009 2.680 -3.625 665 HG1 THR 106 1HG THR 106 -3.834 3.244 -5.822 666 HG21 THR 106 3HG2 THR 106 -3.546 -0.162 -4.088 667 HG22 THR 106 1HG2 THR 106 -2.286 0.424 -5.201 668 HG23 THR 106 2HG2 THR 106 -2.073 0.602 -3.443 669 H LYS 107 H LYS 107 -6.201 3.184 -2.160 670 HA LYS 107 HA LYS 107 -7.936 4.784 -3.429 671 HB3 LYS 107 2HB LYS 107 -6.781 6.380 -1.382 672 HG3 LYS 107 2HG LYS 107 -8.805 4.957 -0.176 673 HD3 LYS 107 2HD LYS 107 -9.305 7.087 -2.301 674 HE3 LYS 107 2HE LYS 107 -10.627 6.682 0.417 675 HZ1 LYS 107 3HZ LYS 107 -10.889 8.820 -0.581 676 HZ2 LYS 107 1HZ LYS 107 -11.358 8.178 -2.006 677 HZ3 LYS 107 2HZ LYS 107 -12.310 8.024 -0.687 678 H GLU 108 H GLU 108 -4.398 5.086 -3.385 679 HA GLU 108 HA GLU 108 -4.704 7.182 -5.360 680 HB3 GLU 108 2HB GLU 108 -2.651 8.326 -4.234 681 HG3 GLU 108 2HG GLU 108 -5.529 8.384 -3.429 682 H SER 109 H SER 109 -2.501 7.570 -6.523 683 HA SER 109 HA SER 109 -1.453 4.955 -7.073 684 HB3 SER 109 2HB SER 109 -1.951 6.188 -9.037 685 HG SER 109 HG SER 109 -0.366 8.391 -8.028 686 H ALA 110 H ALA 110 1.055 4.848 -7.504 687 HA ALA 110 HA ALA 110 2.352 6.151 -5.217 688 HB1 ALA 110 3HB ALA 110 2.170 3.463 -5.978 689 HB2 ALA 110 1HB ALA 110 3.805 3.951 -6.484 690 HB3 ALA 110 2HB ALA 110 3.301 4.152 -4.788 691 H VAL 111 H VAL 111 3.721 7.798 -5.665 692 HA VAL 111 HA VAL 111 4.498 8.209 -8.418 693 HB VAL 111 HB VAL 111 4.863 9.815 -5.884 694 HG11 VAL 111 1HG1 VAL 111 5.936 11.495 -7.054 695 HG12 VAL 111 2HG1 VAL 111 6.614 10.047 -7.836 696 HG13 VAL 111 3HG1 VAL 111 5.304 10.956 -8.628 697 HG21 VAL 111 3HG2 VAL 111 3.292 11.132 -7.875 698 HG22 VAL 111 1HG2 VAL 111 2.655 9.482 -7.666 699 HG23 VAL 111 2HG2 VAL 111 2.799 10.566 -6.261 700 H ILE 112 H ILE 112 6.381 7.502 -9.274 701 HA ILE 112 HA ILE 112 8.285 6.252 -7.527 702 HB ILE 112 HB ILE 112 8.367 6.679 -10.515 703 HG13 ILE 112 2HG1 ILE 112 7.447 4.406 -10.691 704 HG21 ILE 112 1HG2 ILE 112 10.546 6.139 -9.674 705 HG22 ILE 112 2HG2 ILE 112 9.891 4.821 -8.672 706 HG23 ILE 112 3HG2 ILE 112 9.869 4.686 -10.446 707 HD11 ILE 112 3HD1 ILE 112 6.246 4.283 -8.047 708 HD12 ILE 112 1HD1 ILE 112 7.217 3.053 -8.891 709 HD13 ILE 112 2HD1 ILE 112 8.020 4.298 -7.906 710 H ALA 113 H ALA 113 10.395 6.934 -7.065 711 HA ALA 113 HA ALA 113 11.589 9.153 -8.296 712 HB1 ALA 113 3HB ALA 113 10.689 10.892 -7.200 713 HB2 ALA 113 1HB ALA 113 9.614 9.789 -6.308 714 HB3 ALA 113 2HB ALA 113 11.221 10.187 -5.654 715 H ARG 114 H ARG 114 13.733 9.558 -7.394 716 HA ARG 114 HA ARG 114 14.655 7.212 -6.035 717 HB3 ARG 114 2HB ARG 114 16.687 9.282 -6.524 718 HG3 ARG 114 2HG ARG 114 16.750 6.987 -8.321 719 HD3 ARG 114 2HD ARG 114 18.497 8.470 -6.622 720 HE ARG 114 HE ARG 114 17.870 6.155 -5.221 721 HH11 ARG 114 2HH2 ARG 114 20.769 7.350 -6.818 722 HH12 ARG 114 1HH2 ARG 114 21.853 6.518 -5.753 723 HH21 ARG 114 2HH1 ARG 114 19.300 5.058 -3.816 724 HH22 ARG 114 1HH1 ARG 114 21.012 5.206 -4.034 725 H ASP 115 H ASP 115 13.000 8.735 -4.352 726 HA ASP 115 HA ASP 115 14.944 10.054 -2.624 727 HB3 ASP 115 2HB ASP 115 11.944 10.421 -2.392 728 H GLY 116 H GLY 116 15.118 9.233 -0.488 729 HA2 GLY 116 1HA GLY 116 13.351 6.955 0.162 730 HA3 GLY 116 2HA GLY 116 15.014 7.138 0.684 731 H LYS 117 H LYS 117 12.040 7.116 1.934 732 HA LYS 117 HA LYS 117 12.482 9.447 3.660 733 HB3 LYS 117 2HB LYS 117 9.989 7.970 2.819 734 HG3 LYS 117 2HG LYS 117 9.788 8.267 5.247 735 HD3 LYS 117 2HD LYS 117 11.321 10.690 4.688 736 HE3 LYS 117 2HE LYS 117 8.544 11.049 5.641 737 HZ1 LYS 117 3HZ LYS 117 9.226 12.616 7.335 738 HZ2 LYS 117 1HZ LYS 117 9.663 11.098 7.745 739 HZ3 LYS 117 2HZ LYS 117 10.784 12.149 7.193 740 H ILE 118 H ILE 118 12.855 9.172 5.829 741 HA ILE 118 HA ILE 118 13.419 6.481 6.666 742 HB ILE 118 HB ILE 118 13.561 8.934 8.389 743 HG13 ILE 118 2HG1 ILE 118 14.955 8.511 5.875 744 HG21 ILE 118 1HG2 ILE 118 14.297 6.206 8.678 745 HG22 ILE 118 2HG2 ILE 118 15.794 7.165 8.596 746 HG23 ILE 118 3HG2 ILE 118 14.552 7.555 9.810 747 HD11 ILE 118 3HD1 ILE 118 15.677 10.800 7.607 748 HD12 ILE 118 1HD1 ILE 118 15.015 10.790 5.955 749 HD13 ILE 118 2HD1 ILE 118 13.925 10.620 7.352 750 H TYR 119 H TYR 119 12.643 7.453 9.541 751 HA TYR 119 HA TYR 119 10.022 7.901 9.888 752 HB3 TYR 119 2HB TYR 119 10.646 5.229 8.701 753 HD1 TYR 119 1HD TYR 119 11.318 3.812 10.651 754 HD2 TYR 119 2HD TYR 119 7.444 5.607 10.389 755 HE1 TYR 119 1HE TYR 119 10.452 2.218 12.432 756 HE2 TYR 119 2HE TYR 119 6.590 4.007 12.170 757 HH TYR 119 HH TYR 119 7.561 2.712 14.038 758 H LYS 120 H LYS 120 9.988 8.337 12.031 759 HA LYS 120 HA LYS 120 11.997 7.526 13.756 760 HB3 LYS 120 2HB LYS 120 9.230 8.335 14.650 761 HG3 LYS 120 2HG LYS 120 11.438 9.738 15.859 762 HD3 LYS 120 2HD LYS 120 10.597 8.559 17.921 763 HE3 LYS 120 2HE LYS 120 9.337 10.525 16.520 764 HZ1 LYS 120 3HZ LYS 120 6.942 9.333 16.867 765 HZ2 LYS 120 1HZ LYS 120 7.654 9.633 15.428 766 HZ3 LYS 120 2HZ LYS 120 7.817 8.167 16.130 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -3.019 -22.774 10.963 2 HA2 GLY 1 1HA GLY 1 -4.429 -25.120 9.852 3 HA3 GLY 1 2HA GLY 1 -4.310 -24.866 11.581 4 H SER 2 H SER 2 -6.830 -25.018 10.404 5 HA SER 2 HA SER 2 -7.728 -22.310 10.872 6 HB3 SER 2 2HB SER 2 -9.279 -22.409 8.924 7 HG SER 2 HG SER 2 -6.639 -22.020 8.811 8 H SER 3 H SER 3 -8.843 -25.654 9.940 9 HA SER 3 HA SER 3 -10.325 -26.988 10.794 10 HB3 SER 3 2HB SER 3 -10.526 -25.505 13.406 11 HG SER 3 HG SER 3 -11.005 -27.474 14.090 12 H GLY 4 H GLY 4 -12.657 -27.197 11.118 13 HA2 GLY 4 1HA GLY 4 -14.659 -25.878 11.851 14 HA3 GLY 4 2HA GLY 4 -14.079 -24.627 10.769 15 H SER 5 H SER 5 -15.834 -27.625 11.046 16 HA SER 5 HA SER 5 -16.916 -27.332 8.509 17 HB3 SER 5 2HB SER 5 -15.102 -29.766 8.703 18 HG SER 5 HG SER 5 -15.389 -29.471 6.272 19 H SER 6 H SER 6 -18.708 -27.482 10.091 20 HA SER 6 HA SER 6 -19.789 -30.038 10.152 21 HB3 SER 6 2HB SER 6 -19.242 -29.134 12.976 22 HG SER 6 HG SER 6 -19.044 -31.830 12.175 23 H GLY 7 H GLY 7 -21.953 -30.014 11.407 24 HA2 GLY 7 1HA GLY 7 -23.197 -28.059 12.687 25 HA3 GLY 7 2HA GLY 7 -23.148 -27.373 11.075 26 H ALA 8 H ALA 8 -25.639 -27.773 12.016 27 HA ALA 8 HA ALA 8 -26.594 -29.893 10.300 28 HB1 ALA 8 3HB ALA 8 -26.733 -29.957 13.298 29 HB2 ALA 8 1HB ALA 8 -28.147 -30.524 12.378 30 HB3 ALA 8 2HB ALA 8 -26.560 -31.294 12.137 31 H SER 9 H SER 9 -27.436 -28.179 9.023 32 HA SER 9 HA SER 9 -29.945 -27.272 9.929 33 HB3 SER 9 2HB SER 9 -28.722 -24.799 9.184 34 HG SER 9 HG SER 9 -29.708 -24.136 11.002 35 H ILE 10 H ILE 10 -30.742 -25.484 8.121 36 HA ILE 10 HA ILE 10 -30.785 -26.847 5.720 37 HB ILE 10 HB ILE 10 -32.207 -24.870 6.801 38 HG13 ILE 10 2HG1 ILE 10 -31.939 -25.738 3.928 39 HG21 ILE 10 1HG2 ILE 10 -30.466 -23.470 4.753 40 HG22 ILE 10 2HG2 ILE 10 -31.934 -22.801 5.506 41 HG23 ILE 10 3HG2 ILE 10 -30.504 -23.157 6.505 42 HD11 ILE 10 3HD1 ILE 10 -33.885 -27.006 4.393 43 HD12 ILE 10 1HD1 ILE 10 -32.926 -27.165 5.884 44 HD13 ILE 10 2HD1 ILE 10 -34.292 -26.026 5.821 45 H ASP 11 H ASP 11 -29.623 -26.747 3.802 46 HA ASP 11 HA ASP 11 -27.079 -25.396 4.084 47 HB3 ASP 11 2HB ASP 11 -27.102 -26.870 1.671 48 H ILE 12 H ILE 12 -26.767 -23.474 2.946 49 HA ILE 12 HA ILE 12 -28.636 -22.928 0.750 50 HB ILE 12 HB ILE 12 -27.044 -20.801 2.108 51 HG13 ILE 12 2HG1 ILE 12 -27.991 -22.192 3.938 52 HG21 ILE 12 1HG2 ILE 12 -29.016 -20.892 0.118 53 HG22 ILE 12 2HG2 ILE 12 -29.827 -20.247 1.565 54 HG23 ILE 12 3HG2 ILE 12 -28.362 -19.453 0.938 55 HD11 ILE 12 3HD1 ILE 12 -29.051 -20.357 5.125 56 HD12 ILE 12 1HD1 ILE 12 -27.775 -19.665 4.095 57 HD13 ILE 12 2HD1 ILE 12 -29.479 -19.551 3.596 58 H GLN 13 H GLN 13 -27.151 -20.775 -0.398 59 HA GLN 13 HA GLN 13 -25.521 -22.233 -2.094 60 HB3 GLN 13 2HB GLN 13 -24.716 -19.775 -2.701 61 HG3 GLN 13 2HG GLN 13 -27.586 -20.783 -2.949 62 HE21 GLN 13 1HE2 GLN 13 -25.282 -19.081 -5.032 63 HE22 GLN 13 2HE2 GLN 13 -26.277 -17.713 -5.403 64 H ILE 14 H ILE 14 -24.055 -23.405 -0.649 65 HA ILE 14 HA ILE 14 -22.207 -21.868 0.920 66 HB ILE 14 HB ILE 14 -22.902 -24.706 0.510 67 HG13 ILE 14 2HG1 ILE 14 -23.324 -24.646 2.721 68 HG21 ILE 14 1HG2 ILE 14 -20.122 -23.929 1.433 69 HG22 ILE 14 2HG2 ILE 14 -20.822 -25.565 1.414 70 HG23 ILE 14 3HG2 ILE 14 -20.519 -24.709 -0.117 71 HD11 ILE 14 3HD1 ILE 14 -20.866 -22.861 3.025 72 HD12 ILE 14 1HD1 ILE 14 -21.894 -23.400 4.375 73 HD13 ILE 14 2HD1 ILE 14 -20.977 -24.592 3.424 74 H ILE 15 H ILE 15 -22.565 -22.215 -2.337 75 HA ILE 15 HA ILE 15 -19.665 -22.019 -2.728 76 HB ILE 15 HB ILE 15 -21.539 -23.382 -4.655 77 HG13 ILE 15 2HG1 ILE 15 -21.400 -24.564 -2.426 78 HG21 ILE 15 1HG2 ILE 15 -18.807 -24.201 -4.844 79 HG22 ILE 15 2HG2 ILE 15 -19.814 -23.356 -6.044 80 HG23 ILE 15 3HG2 ILE 15 -18.873 -22.422 -4.856 81 HD11 ILE 15 3HD1 ILE 15 -21.083 -25.570 -5.095 82 HD12 ILE 15 1HD1 ILE 15 -20.049 -26.546 -4.025 83 HD13 ILE 15 2HD1 ILE 15 -21.790 -26.399 -3.688 84 H ASP 16 H ASP 16 -18.990 -20.372 -4.101 85 HA ASP 16 HA ASP 16 -20.576 -19.152 -5.966 86 HB3 ASP 16 2HB ASP 16 -20.333 -17.286 -3.604 87 H ARG 17 H ARG 17 -19.519 -16.879 -6.577 88 HA ARG 17 HA ARG 17 -16.732 -17.287 -6.521 89 HB3 ARG 17 2HB ARG 17 -17.151 -14.697 -7.517 90 HG3 ARG 17 2HG ARG 17 -17.280 -17.423 -8.878 91 HD3 ARG 17 2HD ARG 17 -16.774 -16.151 -10.990 92 HE ARG 17 HE ARG 17 -19.111 -16.604 -10.916 93 HH11 ARG 17 2HH2 ARG 17 -18.314 -13.685 -9.119 94 HH12 ARG 17 1HH2 ARG 17 -19.958 -13.151 -9.009 95 HH21 ARG 17 2HH1 ARG 17 -21.280 -15.900 -10.771 96 HH22 ARG 17 1HH1 ARG 17 -21.656 -14.419 -9.954 97 HA PRO 18 HA PRO 18 -15.824 -14.732 -3.102 98 HB3 PRO 18 2HB PRO 18 -13.752 -15.700 -2.833 99 HG3 PRO 18 2HG PRO 18 -12.920 -16.734 -4.719 100 HD3 PRO 18 2HD PRO 18 -14.878 -17.179 -5.838 101 H GLY 19 H GLY 19 -14.346 -12.583 -2.603 102 HA2 GLY 19 1HA GLY 19 -15.285 -10.648 -4.634 103 HA3 GLY 19 2HA GLY 19 -15.496 -10.387 -2.914 104 HA PRO 20 HA PRO 20 -11.464 -8.619 -4.070 105 HB3 PRO 20 2HB PRO 20 -12.144 -6.585 -4.907 106 HG3 PRO 20 2HG PRO 20 -14.380 -6.114 -4.594 107 HD3 PRO 20 2HD PRO 20 -15.222 -8.243 -4.394 108 HA PRO 21 HA PRO 21 -9.743 -8.690 -0.190 109 HB3 PRO 21 2HB PRO 21 -7.577 -8.554 -0.957 110 HG3 PRO 21 2HG PRO 21 -7.344 -7.514 -3.003 111 HD3 PRO 21 2HD PRO 21 -9.445 -7.851 -3.873 112 H GLN 22 H GLN 22 -9.095 -7.532 1.877 113 HA GLN 22 HA GLN 22 -11.254 -5.935 2.542 114 HB3 GLN 22 2HB GLN 22 -9.451 -5.358 4.515 115 HG3 GLN 22 2HG GLN 22 -10.403 -8.189 4.531 116 HE21 GLN 22 1HE2 GLN 22 -8.659 -6.912 6.172 117 HE22 GLN 22 2HE2 GLN 22 -9.387 -6.542 7.700 118 H ILE 23 H ILE 23 -7.760 -5.069 2.015 119 HA ILE 23 HA ILE 23 -8.558 -2.558 0.890 120 HB ILE 23 HB ILE 23 -8.548 -2.385 3.495 121 HG13 ILE 23 2HG1 ILE 23 -8.988 -0.447 2.281 122 HG21 ILE 23 1HG2 ILE 23 -6.452 -1.868 4.509 123 HG22 ILE 23 2HG2 ILE 23 -6.278 -3.438 3.688 124 HG23 ILE 23 3HG2 ILE 23 -5.600 -1.967 2.949 125 HD11 ILE 23 3HD1 ILE 23 -7.820 1.247 3.418 126 HD12 ILE 23 1HD1 ILE 23 -7.565 -0.155 4.484 127 HD13 ILE 23 2HD1 ILE 23 -6.280 0.358 3.363 128 H VAL 24 H VAL 24 -6.785 -1.515 -0.226 129 HA VAL 24 HA VAL 24 -4.354 -3.150 -0.334 130 HB VAL 24 HB VAL 24 -5.929 -2.092 -2.690 131 HG11 VAL 24 1HG1 VAL 24 -4.245 -3.280 -4.065 132 HG12 VAL 24 2HG1 VAL 24 -3.537 -1.952 -3.114 133 HG13 VAL 24 3HG1 VAL 24 -3.317 -3.637 -2.588 134 HG21 VAL 24 3HG2 VAL 24 -5.330 -4.994 -2.343 135 HG22 VAL 24 1HG2 VAL 24 -6.589 -4.287 -1.304 136 HG23 VAL 24 2HG2 VAL 24 -6.740 -4.191 -3.075 137 H LYS 25 H LYS 25 -2.760 -1.852 0.412 138 HA LYS 25 HA LYS 25 -2.773 0.916 -0.565 139 HB3 LYS 25 2HB LYS 25 -3.459 1.091 1.698 140 HG3 LYS 25 2HG LYS 25 -1.467 -1.120 2.107 141 HD3 LYS 25 2HD LYS 25 -1.465 1.307 3.721 142 HE3 LYS 25 2HE LYS 25 -3.091 -0.796 4.802 143 HZ1 LYS 25 3HZ LYS 25 -0.387 -0.656 5.859 144 HZ2 LYS 25 1HZ LYS 25 -1.625 -0.883 6.901 145 HZ3 LYS 25 2HZ LYS 25 -1.366 -1.952 5.694 146 H ILE 26 H ILE 26 -0.415 1.877 -0.152 147 HA ILE 26 HA ILE 26 1.437 -0.196 -1.103 148 HB ILE 26 HB ILE 26 1.075 2.689 -1.842 149 HG13 ILE 26 2HG1 ILE 26 0.360 0.238 -3.021 150 HG21 ILE 26 1HG2 ILE 26 3.262 3.032 -1.971 151 HG22 ILE 26 2HG2 ILE 26 3.601 1.361 -1.459 152 HG23 ILE 26 3HG2 ILE 26 3.356 1.731 -3.183 153 HD11 ILE 26 3HD1 ILE 26 -0.833 2.358 -3.342 154 HD12 ILE 26 1HD1 ILE 26 0.584 3.064 -4.154 155 HD13 ILE 26 2HD1 ILE 26 -0.312 1.734 -4.925 156 H GLU 27 H GLU 27 2.688 -0.853 0.569 157 HA GLU 27 HA GLU 27 3.023 0.335 2.924 158 HB3 GLU 27 2HB GLU 27 5.567 -0.829 2.028 159 HG3 GLU 27 2HG GLU 27 4.369 -2.676 3.658 160 H ASP 28 H ASP 28 5.023 0.923 -0.037 161 HA ASP 28 HA ASP 28 5.384 3.582 0.529 162 HB3 ASP 28 2HB ASP 28 8.076 2.359 0.892 163 H VAL 29 H VAL 29 7.597 4.326 -0.826 164 HA VAL 29 HA VAL 29 8.119 2.482 -2.996 165 HB VAL 29 HB VAL 29 6.186 3.477 -3.879 166 HG11 VAL 29 1HG1 VAL 29 7.202 6.267 -3.307 167 HG12 VAL 29 2HG1 VAL 29 5.560 5.746 -3.757 168 HG13 VAL 29 3HG1 VAL 29 6.203 5.369 -2.140 169 HG21 VAL 29 3HG2 VAL 29 7.767 3.415 -5.603 170 HG22 VAL 29 1HG2 VAL 29 7.149 5.083 -5.669 171 HG23 VAL 29 2HG2 VAL 29 8.723 4.747 -4.909 172 H TRP 30 H TRP 30 10.269 2.545 -3.400 173 HA TRP 30 HA TRP 30 11.644 5.086 -2.882 174 HB3 TRP 30 2HB TRP 30 12.085 3.719 -0.970 175 HD1 TRP 30 HD TRP 30 14.621 1.542 -2.684 176 HE1 TRP 30 1HE TRP 30 14.062 -1.029 -2.478 177 HE3 TRP 30 3HE TRP 30 9.883 2.174 -0.949 178 HZ2 TRP 30 2HZ TRP 30 11.753 -2.477 -1.632 179 HZ3 TRP 30 3HZ TRP 30 8.544 0.129 -0.457 180 HH2 TRP 30 HH TRP 30 9.407 -2.136 -0.773 181 H GLY 31 H GLY 31 13.385 5.510 -4.352 182 HA2 GLY 31 1HA GLY 31 14.185 5.542 -6.472 183 HA3 GLY 31 2HA GLY 31 14.676 3.908 -6.072 184 H GLU 32 H GLU 32 14.052 2.376 -7.523 185 HA GLU 32 HA GLU 32 11.625 2.959 -9.029 186 HB3 GLU 32 2HB GLU 32 12.558 1.624 -10.846 187 HG3 GLU 32 2HG GLU 32 14.800 3.368 -9.728 188 H ASN 33 H ASN 33 11.595 1.801 -6.357 189 HA ASN 33 HA ASN 33 10.548 -0.815 -7.086 190 HB3 ASN 33 2HB ASN 33 11.350 -1.710 -4.910 191 HD21 ASN 33 1HD2 ASN 33 13.653 0.805 -5.841 192 HD22 ASN 33 2HD2 ASN 33 14.817 -0.220 -6.612 193 H VAL 34 H VAL 34 8.430 -1.127 -6.304 194 HA VAL 34 HA VAL 34 7.458 0.896 -4.406 195 HB VAL 34 HB VAL 34 6.352 -0.295 -6.891 196 HG11 VAL 34 1HG1 VAL 34 4.026 0.123 -6.193 197 HG12 VAL 34 2HG1 VAL 34 4.784 -1.162 -5.223 198 HG13 VAL 34 3HG1 VAL 34 4.587 0.470 -4.540 199 HG21 VAL 34 3HG2 VAL 34 5.381 1.972 -7.108 200 HG22 VAL 34 1HG2 VAL 34 6.055 2.398 -5.518 201 HG23 VAL 34 2HG2 VAL 34 7.145 2.009 -6.870 202 H ALA 35 H ALA 35 6.053 0.193 -2.705 203 HA ALA 35 HA ALA 35 6.273 -2.696 -2.209 204 HB1 ALA 35 3HB ALA 35 6.585 -0.255 -0.517 205 HB2 ALA 35 1HB ALA 35 5.780 -1.654 0.234 206 HB3 ALA 35 2HB ALA 35 7.424 -1.822 -0.430 207 H LEU 36 H LEU 36 4.395 -3.798 -2.422 208 HA LEU 36 HA LEU 36 1.922 -2.252 -2.304 209 HB3 LEU 36 2HB LEU 36 1.001 -4.450 -3.255 210 HG LEU 36 HG LEU 36 2.978 -2.821 -4.871 211 HD11 LEU 36 1HD1 LEU 36 0.893 -4.730 -5.952 212 HD12 LEU 36 2HD1 LEU 36 2.102 -3.798 -6.867 213 HD13 LEU 36 3HD1 LEU 36 2.623 -5.120 -5.795 214 HD21 LEU 36 3HD2 LEU 36 0.702 -2.015 -5.857 215 HD22 LEU 36 1HD2 LEU 36 0.033 -2.617 -4.320 216 HD23 LEU 36 2HD2 LEU 36 1.286 -1.352 -4.312 217 H THR 37 H THR 37 0.160 -2.881 -0.954 218 HA THR 37 HA THR 37 0.622 -5.014 0.951 219 HB THR 37 HB THR 37 0.010 -3.106 2.760 220 HG1 THR 37 1HG THR 37 0.575 -1.097 1.937 221 HG21 THR 37 3HG2 THR 37 2.389 -2.808 3.247 222 HG22 THR 37 1HG2 THR 37 2.166 -4.486 2.692 223 HG23 THR 37 2HG2 THR 37 2.832 -3.262 1.583 224 H TRP 38 H TRP 38 -1.189 -6.174 0.887 225 HA TRP 38 HA TRP 38 -3.709 -4.672 0.840 226 HB3 TRP 38 2HB TRP 38 -3.352 -5.438 -1.409 227 HD1 TRP 38 HD TRP 38 -4.306 -8.987 -0.370 228 HE1 TRP 38 1HE TRP 38 -2.561 -10.765 -1.240 229 HE3 TRP 38 3HE TRP 38 -0.848 -5.602 -1.932 230 HZ2 TRP 38 2HZ TRP 38 0.013 -10.560 -2.458 231 HZ3 TRP 38 3HZ TRP 38 1.253 -6.474 -2.950 232 HH2 TRP 38 HH TRP 38 1.711 -8.860 -3.224 233 H THR 39 H THR 39 -5.468 -5.815 1.943 234 HA THR 39 HA THR 39 -4.415 -7.666 3.956 235 HB THR 39 HB THR 39 -6.705 -7.010 5.025 236 HG1 THR 39 1HG THR 39 -7.497 -4.999 3.969 237 HG21 THR 39 3HG2 THR 39 -4.911 -5.821 6.025 238 HG22 THR 39 1HG2 THR 39 -4.423 -5.079 4.483 239 HG23 THR 39 2HG2 THR 39 -5.881 -4.502 5.325 240 HA PRO 40 HA PRO 40 -6.597 -11.006 2.382 241 HB3 PRO 40 2HB PRO 40 -5.570 -12.468 3.834 242 HG3 PRO 40 2HG PRO 40 -4.767 -11.501 5.768 243 HD3 PRO 40 2HD PRO 40 -4.497 -9.331 5.057 244 HA PRO 41 HA PRO 41 -10.813 -10.563 2.546 245 HB3 PRO 41 2HB PRO 41 -11.176 -11.925 0.725 246 HG3 PRO 41 2HG PRO 41 -9.518 -13.483 0.342 247 HD3 PRO 41 2HD PRO 41 -7.743 -12.451 1.375 248 H LYS 42 H LYS 42 -12.004 -10.017 4.249 249 HA LYS 42 HA LYS 42 -11.842 -11.832 6.507 250 HB3 LYS 42 2HB LYS 42 -13.403 -9.732 7.314 251 HG3 LYS 42 2HG LYS 42 -10.505 -9.124 7.335 252 HD3 LYS 42 2HD LYS 42 -11.762 -10.065 9.822 253 HE3 LYS 42 2HE LYS 42 -10.743 -7.335 8.892 254 HZ1 LYS 42 3HZ LYS 42 -12.071 -7.125 10.816 255 HZ2 LYS 42 1HZ LYS 42 -11.390 -8.419 11.543 256 HZ3 LYS 42 2HZ LYS 42 -10.518 -7.057 11.314 257 H ASP 43 H ASP 43 -13.696 -11.514 3.717 258 HA ASP 43 HA ASP 43 -16.029 -12.563 5.114 259 HB3 ASP 43 2HB ASP 43 -15.955 -11.380 2.305 260 H ASP 44 H ASP 44 -13.878 -12.750 2.207 261 HA ASP 44 HA ASP 44 -13.218 -14.432 0.997 262 HB3 ASP 44 2HB ASP 44 -14.862 -16.308 2.754 263 H GLY 45 H GLY 45 -16.560 -15.295 2.198 264 HA2 GLY 45 1HA GLY 45 -18.476 -14.883 0.823 265 HA3 GLY 45 2HA GLY 45 -17.506 -15.211 -0.599 266 H ASN 46 H ASN 46 -16.996 -17.386 -1.203 267 HA ASN 46 HA ASN 46 -18.174 -19.423 0.491 268 HB3 ASN 46 2HB ASN 46 -19.231 -20.507 -1.490 269 HD21 ASN 46 1HD2 ASN 46 -21.335 -20.288 -1.388 270 HD22 ASN 46 2HD2 ASN 46 -22.219 -18.840 -1.034 271 H ALA 47 H ALA 47 -16.336 -18.614 -2.544 272 HA ALA 47 HA ALA 47 -14.918 -21.111 -2.481 273 HB1 ALA 47 3HB ALA 47 -15.634 -19.321 -4.438 274 HB2 ALA 47 1HB ALA 47 -13.922 -18.905 -4.186 275 HB3 ALA 47 2HB ALA 47 -14.379 -20.570 -4.619 276 H ALA 48 H ALA 48 -13.058 -21.526 -1.390 277 HA ALA 48 HA ALA 48 -11.965 -19.546 0.304 278 HB1 ALA 48 3HB ALA 48 -11.143 -22.354 -0.512 279 HB2 ALA 48 1HB ALA 48 -10.221 -21.384 0.661 280 HB3 ALA 48 2HB ALA 48 -11.910 -21.828 1.006 281 H ILE 49 H ILE 49 -10.148 -18.251 0.085 282 HA ILE 49 HA ILE 49 -9.193 -17.943 -2.616 283 HB ILE 49 HB ILE 49 -8.620 -16.433 -0.064 284 HG13 ILE 49 2HG1 ILE 49 -10.700 -16.218 -2.180 285 HG21 ILE 49 1HG2 ILE 49 -7.642 -14.710 -1.521 286 HG22 ILE 49 2HG2 ILE 49 -6.737 -16.242 -1.591 287 HG23 ILE 49 3HG2 ILE 49 -7.832 -15.794 -2.920 288 HD11 ILE 49 3HD1 ILE 49 -11.790 -16.578 -0.201 289 HD12 ILE 49 1HD1 ILE 49 -10.400 -16.037 0.771 290 HD13 ILE 49 2HD1 ILE 49 -11.511 -14.840 0.062 291 H THR 50 H THR 50 -7.385 -18.850 -3.442 292 HA THR 50 HA THR 50 -5.714 -20.384 -1.625 293 HB THR 50 HB THR 50 -4.797 -21.230 -3.838 294 HG1 THR 50 1HG THR 50 -5.206 -19.712 -5.405 295 HG21 THR 50 3HG2 THR 50 -7.694 -21.336 -4.432 296 HG22 THR 50 1HG2 THR 50 -6.568 -22.671 -4.087 297 HG23 THR 50 2HG2 THR 50 -7.324 -21.775 -2.747 298 H GLY 51 H GLY 51 -5.328 -17.761 -4.093 299 HA2 GLY 51 1HA GLY 51 -2.978 -16.863 -2.561 300 HA3 GLY 51 2HA GLY 51 -2.849 -17.139 -4.286 301 H TYR 52 H TYR 52 -2.365 -14.879 -4.658 302 HA TYR 52 HA TYR 52 -4.774 -13.296 -4.899 303 HB3 TYR 52 2HB TYR 52 -3.723 -11.429 -3.611 304 HD1 TYR 52 2HD TYR 52 -5.844 -12.403 -2.477 305 HD2 TYR 52 1HD TYR 52 -1.869 -13.693 -1.560 306 HE1 TYR 52 2HE TYR 52 -6.652 -13.338 -0.255 307 HE2 TYR 52 1HE TYR 52 -2.691 -14.624 0.659 308 HH TYR 52 HH TYR 52 -5.691 -15.331 1.314 309 H THR 53 H THR 53 -4.737 -12.502 -6.937 310 HA THR 53 HA THR 53 -2.176 -12.340 -8.303 311 HB THR 53 HB THR 53 -5.108 -12.114 -9.146 312 HG1 THR 53 1HG THR 53 -4.660 -14.245 -9.705 313 HG21 THR 53 3HG2 THR 53 -2.796 -11.104 -10.530 314 HG22 THR 53 1HG2 THR 53 -3.250 -12.637 -11.311 315 HG23 THR 53 2HG2 THR 53 -4.440 -11.320 -11.180 316 H ILE 54 H ILE 54 -1.232 -10.491 -9.141 317 HA ILE 54 HA ILE 54 -2.460 -7.995 -8.192 318 HB ILE 54 HB ILE 54 0.437 -8.829 -8.235 319 HG13 ILE 54 2HG1 ILE 54 -1.585 -8.967 -6.251 320 HG21 ILE 54 1HG2 ILE 54 0.755 -6.477 -7.232 321 HG22 ILE 54 2HG2 ILE 54 0.569 -6.631 -8.996 322 HG23 ILE 54 3HG2 ILE 54 -0.806 -6.096 -8.000 323 HD11 ILE 54 3HD1 ILE 54 -0.005 -10.270 -5.206 324 HD12 ILE 54 1HD1 ILE 54 0.814 -10.158 -6.783 325 HD13 ILE 54 2HD1 ILE 54 1.290 -9.074 -5.453 326 H GLN 55 H GLN 55 -2.023 -6.085 -9.544 327 HA GLN 55 HA GLN 55 -1.014 -6.670 -12.170 328 HB3 GLN 55 2HB GLN 55 -3.089 -5.662 -13.249 329 HG3 GLN 55 2HG GLN 55 -3.697 -8.185 -11.648 330 HE21 GLN 55 1HE2 GLN 55 -4.827 -9.739 -13.027 331 HE22 GLN 55 2HE2 GLN 55 -5.983 -9.170 -14.186 332 H LYS 56 H LYS 56 0.007 -4.877 -13.064 333 HA LYS 56 HA LYS 56 -0.310 -2.386 -11.540 334 HB3 LYS 56 2HB LYS 56 1.933 -3.737 -11.572 335 HG3 LYS 56 2HG LYS 56 2.474 -2.015 -13.990 336 HD3 LYS 56 2HD LYS 56 3.651 -4.508 -12.707 337 HE3 LYS 56 2HE LYS 56 3.591 -3.836 -15.549 338 HZ1 LYS 56 3HZ LYS 56 6.057 -3.437 -14.114 339 HZ2 LYS 56 1HZ LYS 56 6.160 -4.344 -15.468 340 HZ3 LYS 56 2HZ LYS 56 5.573 -2.822 -15.548 341 H ALA 57 H ALA 57 -0.137 -0.360 -12.791 342 HA ALA 57 HA ALA 57 -0.492 -0.609 -15.648 343 HB1 ALA 57 3HB ALA 57 -2.691 0.214 -13.739 344 HB2 ALA 57 1HB ALA 57 -2.639 0.839 -15.406 345 HB3 ALA 57 2HB ALA 57 -2.767 -0.913 -15.114 346 H ASP 58 H ASP 58 -0.033 1.367 -16.742 347 HA ASP 58 HA ASP 58 1.289 3.261 -14.996 348 HB3 ASP 58 2HB ASP 58 1.479 3.709 -17.911 349 H LYS 59 H LYS 59 1.122 5.675 -15.907 350 HA LYS 59 HA LYS 59 -1.714 6.197 -16.280 351 HB3 LYS 59 2HB LYS 59 -0.200 8.596 -16.030 352 HG3 LYS 59 2HG LYS 59 -1.372 8.623 -13.777 353 HD3 LYS 59 2HD LYS 59 -3.737 7.975 -15.065 354 HE3 LYS 59 2HE LYS 59 -1.990 10.466 -15.215 355 HZ1 LYS 59 3HZ LYS 59 -3.367 10.724 -17.020 356 HZ2 LYS 59 1HZ LYS 59 -4.629 9.936 -16.344 357 HZ3 LYS 59 2HZ LYS 59 -4.237 11.437 -15.835 358 H LYS 60 H LYS 60 -0.059 5.015 -18.450 359 HA LYS 60 HA LYS 60 0.047 7.269 -20.311 360 HB3 LYS 60 2HB LYS 60 2.084 5.932 -20.114 361 HG3 LYS 60 2HG LYS 60 0.555 3.757 -19.675 362 HD3 LYS 60 2HD LYS 60 0.053 4.119 -22.374 363 HE3 LYS 60 2HE LYS 60 1.448 1.767 -22.963 364 HZ1 LYS 60 3HZ LYS 60 2.877 4.008 -23.806 365 HZ2 LYS 60 1HZ LYS 60 1.877 3.055 -24.675 366 HZ3 LYS 60 2HZ LYS 60 1.283 4.353 -23.883 367 H SER 61 H SER 61 -1.563 4.167 -19.583 368 HA SER 61 HA SER 61 -3.780 4.937 -21.104 369 HB3 SER 61 2HB SER 61 -3.329 2.542 -22.463 370 HG SER 61 HG SER 61 -3.738 5.111 -23.067 371 H MET 62 H MET 62 -3.032 4.049 -18.399 372 HA MET 62 HA MET 62 -3.393 2.450 -16.903 373 HB3 MET 62 2HB MET 62 -6.105 2.624 -18.335 374 HG3 MET 62 2HG MET 62 -5.260 1.542 -15.635 375 HE1 MET 62 3HE MET 62 -6.472 4.568 -14.458 376 HE2 MET 62 1HE MET 62 -6.909 3.323 -13.263 377 HE3 MET 62 2HE MET 62 -5.428 3.144 -14.233 378 H GLU 63 H GLU 63 -1.967 1.053 -18.643 379 HA GLU 63 HA GLU 63 -3.532 -1.140 -19.644 380 HB3 GLU 63 2HB GLU 63 -1.646 -1.723 -20.911 381 HG3 GLU 63 2HG GLU 63 -1.036 1.211 -20.346 382 H TRP 64 H TRP 64 -4.074 -2.803 -18.302 383 HA TRP 64 HA TRP 64 -2.423 -3.267 -15.955 384 HB3 TRP 64 2HB TRP 64 -4.260 -4.746 -15.264 385 HD1 TRP 64 HD TRP 64 -6.448 -2.134 -16.965 386 HE1 TRP 64 1HE TRP 64 -7.133 -0.194 -15.313 387 HE3 TRP 64 3HE TRP 64 -3.283 -3.491 -13.225 388 HZ2 TRP 64 2HZ TRP 64 -6.293 0.538 -12.685 389 HZ3 TRP 64 3HZ TRP 64 -3.277 -2.110 -11.149 390 HH2 TRP 64 HH TRP 64 -4.713 -0.156 -10.847 391 H PHE 65 H PHE 65 -0.785 -4.739 -16.061 392 HA PHE 65 HA PHE 65 -1.106 -6.920 -18.002 393 HB3 PHE 65 2HB PHE 65 1.648 -6.524 -17.412 394 HD1 PHE 65 2HD PHE 65 -0.915 -4.861 -19.569 395 HD2 PHE 65 1HD PHE 65 2.765 -6.966 -19.375 396 HE1 PHE 65 2HE PHE 65 -0.786 -4.867 -22.075 397 HE2 PHE 65 1HE PHE 65 2.893 -6.972 -21.881 398 HZ PHE 65 HZ PHE 65 1.117 -5.922 -23.201 399 H THR 66 H THR 66 -1.323 -8.865 -17.013 400 HA THR 66 HA THR 66 -1.252 -9.396 -14.387 401 HB THR 66 HB THR 66 -0.244 -11.234 -16.622 402 HG1 THR 66 1HG THR 66 -2.879 -10.560 -15.514 403 HG21 THR 66 3HG2 THR 66 -2.063 -12.476 -14.783 404 HG22 THR 66 1HG2 THR 66 -0.345 -12.870 -15.032 405 HG23 THR 66 2HG2 THR 66 -0.813 -11.671 -13.803 406 H VAL 67 H VAL 67 0.167 -8.844 -12.856 407 HA VAL 67 HA VAL 67 2.983 -8.812 -13.526 408 HB VAL 67 HB VAL 67 1.283 -7.886 -11.232 409 HG11 VAL 67 1HG1 VAL 67 4.076 -8.759 -11.087 410 HG12 VAL 67 2HG1 VAL 67 3.849 -7.067 -10.582 411 HG13 VAL 67 3HG1 VAL 67 2.928 -8.365 -9.785 412 HG21 VAL 67 3HG2 VAL 67 2.382 -5.718 -11.754 413 HG22 VAL 67 1HG2 VAL 67 3.251 -6.509 -13.091 414 HG23 VAL 67 2HG2 VAL 67 1.475 -6.388 -13.132 415 H ILE 68 H ILE 68 0.717 -10.476 -11.241 416 HA ILE 68 HA ILE 68 2.447 -12.786 -11.325 417 HB ILE 68 HB ILE 68 2.984 -10.989 -9.373 418 HG13 ILE 68 2HG1 ILE 68 3.591 -13.734 -9.986 419 HG21 ILE 68 1HG2 ILE 68 2.024 -11.670 -7.287 420 HG22 ILE 68 2HG2 ILE 68 0.698 -11.301 -8.416 421 HG23 ILE 68 3HG2 ILE 68 1.128 -12.994 -8.069 422 HD11 ILE 68 3HD1 ILE 68 5.693 -12.937 -8.568 423 HD12 ILE 68 1HD1 ILE 68 5.376 -12.232 -10.171 424 HD13 ILE 68 2HD1 ILE 68 4.913 -11.343 -8.701 425 H GLU 69 H GLU 69 1.287 -14.685 -11.084 426 HA GLU 69 HA GLU 69 -1.557 -14.259 -10.605 427 HB3 GLU 69 2HB GLU 69 -1.772 -16.488 -11.890 428 HG3 GLU 69 2HG GLU 69 -0.526 -14.163 -13.425 429 H HIS 70 H HIS 70 -2.642 -15.529 -9.065 430 HA HIS 70 HA HIS 70 -2.713 -16.519 -7.076 431 HB3 HIS 70 2HB HIS 70 -3.283 -18.441 -8.152 432 HD1 HIS 70 1HD HIS 70 0.101 -19.838 -8.709 433 HD2 HIS 70 2HD HIS 70 -2.856 -17.926 -10.988 434 HE1 HIS 70 1HE HIS 70 0.702 -20.255 -11.153 435 H TYR 71 H TYR 71 -1.165 -14.942 -6.123 436 HA TYR 71 HA TYR 71 1.564 -15.843 -5.846 437 HB3 TYR 71 2HB TYR 71 0.161 -13.633 -4.274 438 HD1 TYR 71 2HD TYR 71 3.047 -14.637 -6.429 439 HD2 TYR 71 1HD TYR 71 1.606 -12.014 -3.372 440 HE1 TYR 71 2HE TYR 71 5.403 -13.749 -6.070 441 HE2 TYR 71 1HE TYR 71 3.965 -11.135 -3.023 442 HH TYR 71 HH TYR 71 6.587 -12.625 -3.880 443 H HIS 72 H HIS 72 2.135 -15.000 -3.213 444 HA HIS 72 HA HIS 72 0.507 -16.838 -1.619 445 HB3 HIS 72 2HB HIS 72 2.729 -17.363 -0.423 446 HD1 HIS 72 1HD HIS 72 4.041 -18.344 -3.629 447 HD2 HIS 72 2HD HIS 72 0.821 -19.581 -1.243 448 HE1 HIS 72 1HE HIS 72 3.391 -20.669 -4.455 449 H ARG 73 H ARG 73 3.326 -14.608 -1.079 450 HA ARG 73 HA ARG 73 2.476 -13.765 1.362 451 HB3 ARG 73 2HB ARG 73 3.834 -11.547 0.423 452 HG3 ARG 73 2HG ARG 73 5.946 -13.173 0.889 453 HD3 ARG 73 2HD ARG 73 4.481 -12.964 3.402 454 HE ARG 73 HE ARG 73 7.028 -12.260 2.399 455 HH11 ARG 73 2HH2 ARG 73 4.609 -10.874 4.547 456 HH12 ARG 73 1HH2 ARG 73 5.766 -9.997 5.492 457 HH21 ARG 73 2HH1 ARG 73 8.554 -11.104 3.646 458 HH22 ARG 73 1HH1 ARG 73 8.025 -10.128 4.976 459 H THR 74 H THR 74 1.815 -11.387 1.929 460 HA THR 74 HA THR 74 -0.428 -10.676 0.179 461 HB THR 74 HB THR 74 -1.079 -9.382 2.335 462 HG1 THR 74 1HG THR 74 0.195 -10.333 4.186 463 HG21 THR 74 3HG2 THR 74 -1.301 -11.697 3.681 464 HG22 THR 74 1HG2 THR 74 -2.305 -11.388 2.243 465 HG23 THR 74 2HG2 THR 74 -0.839 -12.389 2.108 466 H SER 75 H SER 75 2.769 -9.918 0.426 467 HA SER 75 HA SER 75 2.192 -7.258 -0.563 468 HB3 SER 75 2HB SER 75 3.137 -6.238 1.212 469 HG SER 75 HG SER 75 2.624 -7.757 2.729 470 H ALA 76 H ALA 76 3.657 -6.565 -2.214 471 HA ALA 76 HA ALA 76 5.830 -8.419 -2.846 472 HB1 ALA 76 3HB ALA 76 3.820 -7.375 -4.878 473 HB2 ALA 76 1HB ALA 76 5.152 -8.519 -5.169 474 HB3 ALA 76 2HB ALA 76 3.766 -9.006 -4.165 475 H THR 77 H THR 77 7.397 -7.406 -4.435 476 HA THR 77 HA THR 77 7.409 -4.481 -4.069 477 HB THR 77 HB THR 77 9.739 -6.471 -4.129 478 HG1 THR 77 1HG THR 77 8.336 -4.843 -2.131 479 HG21 THR 77 3HG2 THR 77 9.612 -3.465 -3.544 480 HG22 THR 77 1HG2 THR 77 11.041 -4.494 -3.288 481 HG23 THR 77 2HG2 THR 77 10.427 -4.217 -4.935 482 H ILE 78 H ILE 78 6.757 -3.579 -5.930 483 HA ILE 78 HA ILE 78 7.219 -4.883 -8.420 484 HB ILE 78 HB ILE 78 6.263 -2.077 -7.853 485 HG13 ILE 78 2HG1 ILE 78 4.088 -2.846 -7.629 486 HG21 ILE 78 1HG2 ILE 78 6.242 -3.833 -10.303 487 HG22 ILE 78 2HG2 ILE 78 5.069 -2.512 -10.086 488 HG23 ILE 78 3HG2 ILE 78 6.814 -2.156 -10.123 489 HD11 ILE 78 3HD1 ILE 78 3.583 -5.366 -8.058 490 HD12 ILE 78 1HD1 ILE 78 3.767 -4.307 -9.478 491 HD13 ILE 78 2HD1 ILE 78 5.106 -5.369 -8.980 492 H THR 79 H THR 79 8.694 -4.363 -10.062 493 HA THR 79 HA THR 79 10.713 -2.351 -9.357 494 HB THR 79 HB THR 79 12.344 -4.147 -10.398 495 HG1 THR 79 1HG THR 79 10.951 -5.790 -11.028 496 HG21 THR 79 3HG2 THR 79 12.333 -5.491 -8.174 497 HG22 THR 79 1HG2 THR 79 12.607 -3.738 -8.034 498 HG23 THR 79 2HG2 THR 79 11.005 -4.420 -7.667 499 H GLU 80 H GLU 80 12.257 -2.131 -11.432 500 HA GLU 80 HA GLU 80 12.426 -1.387 -13.463 501 HB3 GLU 80 2HB GLU 80 10.725 -2.428 -15.216 502 HG3 GLU 80 2HG GLU 80 12.672 -4.155 -13.615 503 H LEU 81 H LEU 81 11.440 0.532 -12.031 504 HA LEU 81 HA LEU 81 9.069 1.488 -13.481 505 HB3 LEU 81 2HB LEU 81 8.524 2.770 -11.436 506 HG LEU 81 HG LEU 81 8.720 -0.224 -11.012 507 HD11 LEU 81 1HD1 LEU 81 8.505 1.297 -8.925 508 HD12 LEU 81 2HD1 LEU 81 6.846 1.582 -9.505 509 HD13 LEU 81 3HD1 LEU 81 7.384 -0.072 -9.121 510 HD21 LEU 81 3HD2 LEU 81 7.255 -0.113 -12.741 511 HD22 LEU 81 1HD2 LEU 81 6.115 0.215 -11.414 512 HD23 LEU 81 2HD2 LEU 81 6.770 1.561 -12.377 513 H VAL 82 H VAL 82 9.137 3.582 -14.314 514 HA VAL 82 HA VAL 82 11.809 4.675 -14.503 515 HB VAL 82 HB VAL 82 9.173 5.288 -15.839 516 HG11 VAL 82 1HG1 VAL 82 11.387 7.046 -15.500 517 HG12 VAL 82 2HG1 VAL 82 11.384 6.507 -17.197 518 HG13 VAL 82 3HG1 VAL 82 9.934 7.274 -16.503 519 HG21 VAL 82 3HG2 VAL 82 10.249 4.391 -17.838 520 HG22 VAL 82 1HG2 VAL 82 11.757 4.124 -16.931 521 HG23 VAL 82 2HG2 VAL 82 10.295 3.194 -16.520 522 H ILE 83 H ILE 83 12.552 6.431 -13.397 523 HA ILE 83 HA ILE 83 10.945 7.458 -11.299 524 HB ILE 83 HB ILE 83 13.617 8.395 -12.348 525 HG13 ILE 83 2HG1 ILE 83 13.727 6.034 -11.806 526 HG21 ILE 83 1HG2 ILE 83 12.060 9.787 -10.677 527 HG22 ILE 83 2HG2 ILE 83 12.826 8.695 -9.497 528 HG23 ILE 83 3HG2 ILE 83 13.834 9.735 -10.532 529 HD11 ILE 83 3HD1 ILE 83 14.865 6.962 -9.265 530 HD12 ILE 83 1HD1 ILE 83 15.690 6.315 -10.704 531 HD13 ILE 83 2HD1 ILE 83 15.284 8.045 -10.614 532 H GLY 84 H GLY 84 9.480 9.072 -11.366 533 HA2 GLY 84 1HA GLY 84 8.944 11.312 -11.924 534 HA3 GLY 84 2HA GLY 84 9.806 11.140 -13.441 535 H ASN 85 H ASN 85 7.331 9.038 -11.803 536 HA ASN 85 HA ASN 85 5.314 9.781 -13.595 537 HB3 ASN 85 2HB ASN 85 5.267 7.161 -14.405 538 HD21 ASN 85 1HD2 ASN 85 7.893 7.792 -16.110 539 HD22 ASN 85 2HD2 ASN 85 7.298 8.834 -17.358 540 H GLU 86 H GLU 86 3.301 8.362 -13.171 541 HA GLU 86 HA GLU 86 3.547 7.186 -10.515 542 HB3 GLU 86 2HB GLU 86 2.083 9.168 -10.604 543 HG3 GLU 86 2HG GLU 86 -0.146 8.006 -12.054 544 H TYR 87 H TYR 87 1.914 5.357 -10.069 545 HA TYR 87 HA TYR 87 1.143 3.896 -12.459 546 HB3 TYR 87 2HB TYR 87 2.360 1.871 -11.474 547 HD1 TYR 87 2HD TYR 87 3.231 2.068 -13.772 548 HD2 TYR 87 1HD TYR 87 4.801 4.456 -10.589 549 HE1 TYR 87 2HE TYR 87 5.259 2.643 -15.194 550 HE2 TYR 87 1HE TYR 87 6.824 5.022 -12.021 551 HH TYR 87 HH TYR 87 7.043 3.871 -15.367 552 H TYR 88 H TYR 88 -0.415 2.191 -12.022 553 HA TYR 88 HA TYR 88 -1.671 2.528 -9.382 554 HB3 TYR 88 2HB TYR 88 -3.674 1.627 -10.908 555 HD1 TYR 88 2HD TYR 88 -3.824 3.668 -9.091 556 HD2 TYR 88 1HD TYR 88 -2.985 4.071 -13.267 557 HE1 TYR 88 2HE TYR 88 -4.644 6.074 -9.030 558 HE2 TYR 88 1HE TYR 88 -3.807 6.476 -13.192 559 HH TYR 88 HH TYR 88 -5.684 7.676 -11.206 560 H PHE 89 H PHE 89 -2.642 0.636 -8.398 561 HA PHE 89 HA PHE 89 -1.939 -1.908 -9.610 562 HB3 PHE 89 2HB PHE 89 -0.737 -2.600 -7.577 563 HD1 PHE 89 1HD PHE 89 -0.427 1.110 -7.592 564 HD2 PHE 89 2HD PHE 89 1.346 -2.607 -8.617 565 HE1 PHE 89 1HE PHE 89 1.692 2.296 -8.229 566 HE2 PHE 89 2HE PHE 89 3.465 -1.421 -9.253 567 HZ PHE 89 HZ PHE 89 3.613 1.017 -9.052 568 H ARG 90 H ARG 90 -3.070 -3.747 -8.586 569 HA ARG 90 HA ARG 90 -4.995 -3.133 -6.599 570 HB3 ARG 90 2HB ARG 90 -6.322 -2.316 -8.447 571 HG3 ARG 90 2HG ARG 90 -5.079 -4.645 -9.882 572 HD3 ARG 90 2HD ARG 90 -7.964 -3.849 -10.093 573 HE ARG 90 HE ARG 90 -6.202 -3.677 -12.395 574 HH11 ARG 90 2HH2 ARG 90 -9.398 -4.737 -11.374 575 HH12 ARG 90 1HH2 ARG 90 -10.097 -4.569 -12.950 576 HH21 ARG 90 2HH1 ARG 90 -7.124 -3.454 -14.474 577 HH22 ARG 90 1HH1 ARG 90 -8.795 -3.834 -14.725 578 H VAL 91 H VAL 91 -5.504 -5.027 -5.453 579 HA VAL 91 HA VAL 91 -4.323 -7.473 -6.533 580 HB VAL 91 HB VAL 91 -5.140 -6.627 -3.748 581 HG11 VAL 91 1HG1 VAL 91 -4.412 -8.727 -2.913 582 HG12 VAL 91 2HG1 VAL 91 -5.499 -9.093 -4.275 583 HG13 VAL 91 3HG1 VAL 91 -3.735 -9.206 -4.488 584 HG21 VAL 91 3HG2 VAL 91 -2.399 -7.414 -3.979 585 HG22 VAL 91 1HG2 VAL 91 -2.757 -6.241 -5.269 586 HG23 VAL 91 2HG2 VAL 91 -3.072 -5.819 -3.568 587 H PHE 92 H PHE 92 -5.523 -9.446 -6.609 588 HA PHE 92 HA PHE 92 -8.419 -8.980 -6.594 589 HB3 PHE 92 2HB PHE 92 -8.244 -11.073 -8.178 590 HD1 PHE 92 1HD PHE 92 -5.534 -8.815 -9.200 591 HD2 PHE 92 2HD PHE 92 -9.694 -9.623 -9.438 592 HE1 PHE 92 1HE PHE 92 -5.746 -7.171 -11.085 593 HE2 PHE 92 2HE PHE 92 -9.905 -7.977 -11.321 594 HZ PHE 92 HZ PHE 92 -7.929 -6.771 -12.123 595 H SER 93 H SER 93 -9.370 -11.566 -6.668 596 HA SER 93 HA SER 93 -8.217 -12.740 -4.261 597 HB3 SER 93 2HB SER 93 -10.754 -13.491 -3.916 598 HG SER 93 HG SER 93 -10.166 -10.719 -3.402 599 H GLU 94 H GLU 94 -7.062 -14.356 -5.423 600 HA GLU 94 HA GLU 94 -8.178 -15.757 -7.547 601 HB3 GLU 94 2HB GLU 94 -6.210 -17.372 -6.188 602 HG3 GLU 94 2HG GLU 94 -4.863 -16.047 -8.189 603 H ASN 95 H ASN 95 -8.983 -17.965 -7.663 604 HA ASN 95 HA ASN 95 -9.434 -19.405 -5.288 605 HB3 ASN 95 2HB ASN 95 -11.320 -18.057 -4.800 606 HD21 ASN 95 1HD2 ASN 95 -13.630 -18.540 -6.842 607 HD22 ASN 95 2HD2 ASN 95 -13.557 -17.161 -7.887 608 H MET 96 H MET 96 -11.186 -21.306 -5.964 609 HA MET 96 HA MET 96 -10.186 -22.256 -8.490 610 HB3 MET 96 2HB MET 96 -10.190 -23.726 -6.458 611 HG3 MET 96 2HG MET 96 -13.004 -22.805 -6.356 612 HE1 MET 96 3HE MET 96 -13.773 -24.301 -4.067 613 HE2 MET 96 1HE MET 96 -15.175 -24.898 -4.986 614 HE3 MET 96 2HE MET 96 -14.084 -26.049 -4.180 615 H CYS 97 H CYS 97 -12.233 -20.024 -8.298 616 HA CYS 97 HA CYS 97 -14.342 -21.382 -9.815 617 HB3 CYS 97 2HB CYS 97 -15.043 -18.802 -8.542 618 HG CYS 97 HG CYS 97 -17.305 -19.436 -8.865 619 H GLY 98 H GLY 98 -12.551 -18.282 -9.192 620 HA2 GLY 98 1HA GLY 98 -11.612 -17.790 -11.682 621 HA3 GLY 98 2HA GLY 98 -13.262 -17.205 -11.774 622 H LEU 99 H LEU 99 -10.714 -15.659 -11.881 623 HA LEU 99 HA LEU 99 -10.084 -14.404 -9.525 624 HB3 LEU 99 2HB LEU 99 -9.879 -12.434 -11.458 625 HG LEU 99 HG LEU 99 -7.590 -12.900 -11.606 626 HD11 LEU 99 1HD1 LEU 99 -7.102 -12.582 -9.456 627 HD12 LEU 99 2HD1 LEU 99 -8.834 -12.836 -9.132 628 HD13 LEU 99 3HD1 LEU 99 -7.694 -14.196 -8.995 629 HD21 LEU 99 3HD2 LEU 99 -8.383 -15.761 -11.166 630 HD22 LEU 99 1HD2 LEU 99 -7.366 -15.042 -12.437 631 HD23 LEU 99 2HD2 LEU 99 -6.731 -15.222 -10.783 632 H SER 100 H SER 100 -10.652 -12.170 -8.777 633 HA SER 100 HA SER 100 -13.449 -12.025 -8.512 634 HB3 SER 100 2HB SER 100 -12.193 -11.317 -6.628 635 HG SER 100 HG SER 100 -10.866 -9.114 -7.570 636 H GLU 101 H GLU 101 -14.941 -10.735 -9.600 637 HA GLU 101 HA GLU 101 -14.370 -9.800 -12.079 638 HB3 GLU 101 2HB GLU 101 -16.504 -8.193 -11.057 639 HG3 GLU 101 2HG GLU 101 -17.209 -10.858 -12.141 640 H ASP 102 H ASP 102 -14.132 -8.125 -8.922 641 HA ASP 102 HA ASP 102 -12.811 -5.963 -10.347 642 HB3 ASP 102 2HB ASP 102 -14.721 -4.778 -9.789 643 H ALA 103 H ALA 103 -11.189 -4.815 -8.929 644 HA ALA 103 HA ALA 103 -10.493 -6.364 -6.533 645 HB1 ALA 103 3HB ALA 103 -8.950 -5.872 -9.005 646 HB2 ALA 103 1HB ALA 103 -8.072 -5.484 -7.506 647 HB3 ALA 103 2HB ALA 103 -8.735 -7.117 -7.752 648 H THR 104 H THR 104 -9.327 -5.115 -4.892 649 HA THR 104 HA THR 104 -10.304 -2.413 -4.791 650 HB THR 104 HB THR 104 -8.850 -4.352 -2.959 651 HG1 THR 104 1HG THR 104 -11.281 -4.072 -3.404 652 HG21 THR 104 3HG2 THR 104 -9.591 -2.032 -1.484 653 HG22 THR 104 1HG2 THR 104 -7.938 -2.636 -1.754 654 HG23 THR 104 2HG2 THR 104 -8.637 -1.433 -2.864 655 H MET 105 H MET 105 -9.353 -1.018 -6.196 656 HA MET 105 HA MET 105 -6.549 -1.174 -6.638 657 HB3 MET 105 2HB MET 105 -8.380 1.154 -7.384 658 HG3 MET 105 2HG MET 105 -5.896 -0.149 -8.554 659 HE1 MET 105 3HE MET 105 -7.475 3.210 -10.973 660 HE2 MET 105 1HE MET 105 -6.672 3.140 -9.386 661 HE3 MET 105 2HE MET 105 -5.758 2.755 -10.863 662 H THR 106 H THR 106 -4.933 0.361 -6.016 663 HA THR 106 HA THR 106 -5.165 1.379 -3.440 664 HB THR 106 HB THR 106 -3.009 2.580 -4.141 665 HG1 THR 106 1HG THR 106 -3.726 2.869 -6.386 666 HG21 THR 106 3HG2 THR 106 -3.551 -0.317 -4.263 667 HG22 THR 106 1HG2 THR 106 -2.221 0.156 -5.347 668 HG23 THR 106 2HG2 THR 106 -2.130 0.531 -3.609 669 H LYS 107 H LYS 107 -6.276 3.020 -2.607 670 HA LYS 107 HA LYS 107 -7.903 4.680 -3.947 671 HB3 LYS 107 2HB LYS 107 -6.822 6.183 -1.777 672 HG3 LYS 107 2HG LYS 107 -9.011 4.839 -0.781 673 HD3 LYS 107 2HD LYS 107 -9.868 6.851 -2.732 674 HE3 LYS 107 2HE LYS 107 -9.757 7.928 -0.104 675 HZ1 LYS 107 3HZ LYS 107 -11.649 8.203 -1.363 676 HZ2 LYS 107 1HZ LYS 107 -11.806 6.617 -1.719 677 HZ3 LYS 107 2HZ LYS 107 -12.152 7.154 -0.217 678 H GLU 108 H GLU 108 -4.372 4.903 -3.674 679 HA GLU 108 HA GLU 108 -4.538 7.174 -5.487 680 HB3 GLU 108 2HB GLU 108 -3.924 8.118 -3.337 681 HG3 GLU 108 2HG GLU 108 -1.724 5.997 -3.301 682 H SER 109 H SER 109 -1.966 7.520 -6.265 683 HA SER 109 HA SER 109 -1.244 4.852 -7.193 684 HB3 SER 109 2HB SER 109 -1.933 6.226 -9.055 685 HG SER 109 HG SER 109 -1.425 8.318 -9.275 686 H ALA 110 H ALA 110 1.220 4.702 -7.782 687 HA ALA 110 HA ALA 110 2.676 5.827 -5.516 688 HB1 ALA 110 3HB ALA 110 2.689 3.377 -5.846 689 HB2 ALA 110 1HB ALA 110 3.372 3.600 -7.475 690 HB3 ALA 110 2HB ALA 110 4.320 4.063 -6.041 691 H VAL 111 H VAL 111 3.799 7.675 -5.842 692 HA VAL 111 HA VAL 111 4.632 8.264 -8.585 693 HB VAL 111 HB VAL 111 4.320 10.012 -6.136 694 HG11 VAL 111 1HG1 VAL 111 4.568 11.307 -8.770 695 HG12 VAL 111 2HG1 VAL 111 5.306 11.729 -7.206 696 HG13 VAL 111 3HG1 VAL 111 6.043 10.471 -8.227 697 HG21 VAL 111 3HG2 VAL 111 2.379 10.928 -7.210 698 HG22 VAL 111 1HG2 VAL 111 2.688 9.995 -8.693 699 HG23 VAL 111 2HG2 VAL 111 2.207 9.157 -7.198 700 H ILE 112 H ILE 112 6.721 7.957 -9.146 701 HA ILE 112 HA ILE 112 8.600 7.254 -7.097 702 HB ILE 112 HB ILE 112 8.955 7.567 -10.080 703 HG13 ILE 112 2HG1 ILE 112 8.683 5.119 -10.165 704 HG21 ILE 112 1HG2 ILE 112 11.109 7.600 -9.223 705 HG22 ILE 112 2HG2 ILE 112 10.710 6.494 -7.888 706 HG23 ILE 112 3HG2 ILE 112 10.841 5.872 -9.550 707 HD11 ILE 112 3HD1 ILE 112 7.228 4.859 -7.652 708 HD12 ILE 112 1HD1 ILE 112 8.540 3.845 -8.299 709 HD13 ILE 112 2HD1 ILE 112 8.925 5.300 -7.349 710 H ALA 113 H ALA 113 9.962 8.602 -6.046 711 HA ALA 113 HA ALA 113 10.498 11.193 -7.324 712 HB1 ALA 113 3HB ALA 113 9.870 10.630 -4.397 713 HB2 ALA 113 1HB ALA 113 10.387 12.202 -5.054 714 HB3 ALA 113 2HB ALA 113 8.830 11.497 -5.552 715 H ARG 114 H ARG 114 11.735 8.255 -6.542 716 HA ARG 114 HA ARG 114 13.703 7.460 -6.137 717 HB3 ARG 114 2HB ARG 114 14.867 10.213 -6.775 718 HG3 ARG 114 2HG ARG 114 16.001 7.594 -7.733 719 HD3 ARG 114 2HD ARG 114 16.866 10.396 -7.302 720 HE ARG 114 HE ARG 114 18.652 9.865 -5.912 721 HH11 ARG 114 2HH2 ARG 114 17.861 7.020 -7.825 722 HH12 ARG 114 1HH2 ARG 114 19.131 6.055 -7.149 723 HH21 ARG 114 2HH1 ARG 114 20.328 8.593 -5.020 724 HH22 ARG 114 1HH1 ARG 114 20.544 6.956 -5.543 725 H ASP 115 H ASP 115 12.198 8.960 -3.969 726 HA ASP 115 HA ASP 115 14.507 9.472 -2.263 727 HB3 ASP 115 2HB ASP 115 11.988 10.671 -1.335 728 H GLY 116 H GLY 116 14.628 7.745 -0.817 729 HA2 GLY 116 1HA GLY 116 12.214 6.236 -0.184 730 HA3 GLY 116 2HA GLY 116 13.873 5.808 0.185 731 H LYS 117 H LYS 117 10.992 6.729 1.577 732 HA LYS 117 HA LYS 117 12.395 7.963 3.846 733 HB3 LYS 117 2HB LYS 117 9.683 8.686 3.996 734 HG3 LYS 117 2HG LYS 117 10.753 10.971 3.236 735 HD3 LYS 117 2HD LYS 117 12.100 11.050 5.436 736 HE3 LYS 117 2HE LYS 117 9.191 10.230 5.222 737 HZ1 LYS 117 3HZ LYS 117 9.418 9.495 7.306 738 HZ2 LYS 117 1HZ LYS 117 10.831 10.265 7.582 739 HZ3 LYS 117 2HZ LYS 117 9.421 11.079 7.701 740 H ILE 118 H ILE 118 10.536 7.758 5.818 741 HA ILE 118 HA ILE 118 9.937 4.881 5.863 742 HB ILE 118 HB ILE 118 11.249 6.660 7.876 743 HG13 ILE 118 2HG1 ILE 118 12.033 4.498 6.217 744 HG21 ILE 118 1HG2 ILE 118 10.767 4.573 9.446 745 HG22 ILE 118 2HG2 ILE 118 9.666 5.969 9.361 746 HG23 ILE 118 3HG2 ILE 118 9.292 4.485 8.453 747 HD11 ILE 118 3HD1 ILE 118 13.442 6.425 6.858 748 HD12 ILE 118 1HD1 ILE 118 13.419 5.889 8.556 749 HD13 ILE 118 2HD1 ILE 118 14.232 4.898 7.321 750 H TYR 119 H TYR 119 7.784 5.132 5.158 751 HA TYR 119 HA TYR 119 6.103 6.980 6.639 752 HB3 TYR 119 2HB TYR 119 4.476 5.623 4.913 753 HD1 TYR 119 2HD TYR 119 3.763 8.002 4.913 754 HD2 TYR 119 1HD TYR 119 7.351 6.737 2.956 755 HE1 TYR 119 2HE TYR 119 3.833 10.187 3.614 756 HE2 TYR 119 1HE TYR 119 7.409 8.927 1.663 757 HH TYR 119 HH TYR 119 6.147 11.500 2.424 758 H LYS 120 H LYS 120 7.392 4.434 7.834 759 HA LYS 120 HA LYS 120 6.826 2.743 9.142 760 HB3 LYS 120 2HB LYS 120 4.221 4.188 9.658 761 HG3 LYS 120 2HG LYS 120 6.068 2.951 11.704 762 HD3 LYS 120 2HD LYS 120 3.358 4.019 11.579 763 HE3 LYS 120 2HE LYS 120 3.211 1.293 11.404 764 HZ1 LYS 120 3HZ LYS 120 4.234 1.759 13.909 765 HZ2 LYS 120 1HZ LYS 120 2.666 1.366 14.141 766 HZ3 LYS 120 2HZ LYS 120 3.650 0.349 13.324 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 4.930 -16.421 26.514 2 HA2 GLY 1 1HA GLY 1 2.519 -16.278 28.207 3 HA3 GLY 1 2HA GLY 1 2.641 -15.319 26.745 4 H SER 2 H SER 2 0.622 -16.667 26.228 5 HA SER 2 HA SER 2 1.327 -18.575 24.341 6 HB3 SER 2 2HB SER 2 -0.069 -19.777 26.768 7 HG SER 2 HG SER 2 0.681 -21.774 25.626 8 H SER 3 H SER 3 -0.747 -19.611 23.370 9 HA SER 3 HA SER 3 -3.248 -18.819 24.172 10 HB3 SER 3 2HB SER 3 -3.187 -17.201 21.835 11 HG SER 3 HG SER 3 -3.526 -16.787 24.643 12 H GLY 4 H GLY 4 -4.901 -19.138 22.259 13 HA2 GLY 4 1HA GLY 4 -4.291 -20.177 19.807 14 HA3 GLY 4 2HA GLY 4 -4.152 -21.546 20.893 15 H SER 5 H SER 5 -5.994 -22.682 20.181 16 HA SER 5 HA SER 5 -8.085 -23.273 20.205 17 HB3 SER 5 2HB SER 5 -9.037 -20.846 21.716 18 HG SER 5 HG SER 5 -10.181 -22.500 22.891 19 H SER 6 H SER 6 -9.899 -23.001 18.810 20 HA SER 6 HA SER 6 -10.785 -20.537 17.932 21 HB3 SER 6 2HB SER 6 -9.890 -21.123 15.423 22 HG SER 6 HG SER 6 -8.443 -19.613 17.430 23 H GLY 7 H GLY 7 -10.008 -23.812 16.531 24 HA2 GLY 7 1HA GLY 7 -11.324 -25.408 15.656 25 HA3 GLY 7 2HA GLY 7 -12.553 -24.885 16.792 26 H ALA 8 H ALA 8 -13.630 -25.783 14.541 27 HA ALA 8 HA ALA 8 -14.710 -23.400 13.345 28 HB1 ALA 8 3HB ALA 8 -12.785 -25.200 11.930 29 HB2 ALA 8 1HB ALA 8 -14.216 -24.664 11.019 30 HB3 ALA 8 2HB ALA 8 -13.099 -23.462 11.708 31 H SER 9 H SER 9 -14.403 -26.979 12.741 32 HA SER 9 HA SER 9 -15.885 -28.566 12.704 33 HB3 SER 9 2HB SER 9 -17.885 -26.672 14.010 34 HG SER 9 HG SER 9 -19.081 -28.435 14.087 35 H ILE 10 H ILE 10 -17.957 -29.277 11.562 36 HA ILE 10 HA ILE 10 -18.310 -27.608 9.232 37 HB ILE 10 HB ILE 10 -19.255 -30.381 9.958 38 HG13 ILE 10 2HG1 ILE 10 -16.857 -29.271 8.644 39 HG21 ILE 10 1HG2 ILE 10 -20.771 -28.998 8.394 40 HG22 ILE 10 2HG2 ILE 10 -19.457 -29.173 7.207 41 HG23 ILE 10 3HG2 ILE 10 -20.256 -30.620 7.869 42 HD11 ILE 10 3HD1 ILE 10 -17.719 -31.642 10.271 43 HD12 ILE 10 1HD1 ILE 10 -16.327 -31.864 9.184 44 HD13 ILE 10 2HD1 ILE 10 -16.280 -30.608 10.444 45 H ASP 11 H ASP 11 -20.170 -26.509 8.648 46 HA ASP 11 HA ASP 11 -22.646 -26.958 9.716 47 HB3 ASP 11 2HB ASP 11 -21.632 -24.406 10.945 48 H ILE 12 H ILE 12 -24.106 -25.747 8.420 49 HA ILE 12 HA ILE 12 -24.586 -24.617 6.539 50 HB ILE 12 HB ILE 12 -23.596 -22.535 8.476 51 HG13 ILE 12 2HG1 ILE 12 -25.609 -24.110 8.933 52 HG21 ILE 12 1HG2 ILE 12 -24.518 -22.218 5.688 53 HG22 ILE 12 2HG2 ILE 12 -25.322 -21.174 6.884 54 HG23 ILE 12 3HG2 ILE 12 -23.550 -21.134 6.717 55 HD11 ILE 12 3HD1 ILE 12 -25.211 -21.221 9.351 56 HD12 ILE 12 1HD1 ILE 12 -26.927 -21.690 9.398 57 HD13 ILE 12 2HD1 ILE 12 -25.762 -22.466 10.497 58 H GLN 13 H GLN 13 -23.168 -25.535 4.988 59 HA GLN 13 HA GLN 13 -20.757 -23.951 4.561 60 HB3 GLN 13 2HB GLN 13 -20.429 -26.205 2.999 61 HG3 GLN 13 2HG GLN 13 -19.662 -25.597 5.879 62 HE21 GLN 13 1HE2 GLN 13 -17.780 -26.801 6.633 63 HE22 GLN 13 2HE2 GLN 13 -17.662 -28.500 6.314 64 H ILE 14 H ILE 14 -21.071 -22.420 3.002 65 HA ILE 14 HA ILE 14 -22.568 -23.266 0.625 66 HB ILE 14 HB ILE 14 -22.674 -20.446 1.621 67 HG13 ILE 14 2HG1 ILE 14 -23.339 -21.892 3.527 68 HG21 ILE 14 1HG2 ILE 14 -23.766 -20.291 -0.316 69 HG22 ILE 14 2HG2 ILE 14 -23.912 -22.057 -0.479 70 HG23 ILE 14 3HG2 ILE 14 -25.096 -21.152 0.494 71 HD11 ILE 14 3HD1 ILE 14 -25.903 -20.742 2.441 72 HD12 ILE 14 1HD1 ILE 14 -25.197 -20.595 4.068 73 HD13 ILE 14 2HD1 ILE 14 -24.533 -19.639 2.721 74 H ILE 15 H ILE 15 -20.911 -23.623 -0.796 75 HA ILE 15 HA ILE 15 -18.496 -22.226 -0.740 76 HB ILE 15 HB ILE 15 -18.370 -23.148 -3.147 77 HG13 ILE 15 2HG1 ILE 15 -20.972 -23.386 -3.140 78 HG21 ILE 15 1HG2 ILE 15 -18.725 -25.059 -0.822 79 HG22 ILE 15 2HG2 ILE 15 -17.795 -25.347 -2.313 80 HG23 ILE 15 3HG2 ILE 15 -17.261 -24.103 -1.157 81 HD11 ILE 15 3HD1 ILE 15 -20.812 -25.165 -4.778 82 HD12 ILE 15 1HD1 ILE 15 -19.338 -24.176 -4.925 83 HD13 ILE 15 2HD1 ILE 15 -19.279 -25.742 -4.080 84 H ASP 16 H ASP 16 -17.762 -20.362 -1.726 85 HA ASP 16 HA ASP 16 -19.224 -19.147 -3.790 86 HB3 ASP 16 2HB ASP 16 -19.147 -17.509 -1.237 87 H ARG 17 H ARG 17 -18.142 -16.903 -4.303 88 HA ARG 17 HA ARG 17 -15.402 -17.245 -4.249 89 HB3 ARG 17 2HB ARG 17 -15.338 -14.916 -5.197 90 HG3 ARG 17 2HG ARG 17 -17.046 -17.109 -6.190 91 HD3 ARG 17 2HD ARG 17 -18.549 -14.951 -6.273 92 HE ARG 17 HE ARG 17 -17.318 -13.235 -7.311 93 HH11 ARG 17 2HH2 ARG 17 -17.035 -16.201 -9.183 94 HH12 ARG 17 1HH2 ARG 17 -16.269 -15.428 -10.531 95 HH21 ARG 17 2HH1 ARG 17 -16.308 -12.214 -9.089 96 HH22 ARG 17 1HH1 ARG 17 -15.853 -13.146 -10.477 97 HA PRO 18 HA PRO 18 -14.347 -15.346 -0.464 98 HB3 PRO 18 2HB PRO 18 -12.263 -16.323 -0.464 99 HG3 PRO 18 2HG PRO 18 -11.506 -16.976 -2.543 100 HD3 PRO 18 2HD PRO 18 -13.507 -17.226 -3.647 101 H GLY 19 H GLY 19 -14.203 -13.625 -3.394 102 HA2 GLY 19 1HA GLY 19 -14.864 -11.460 -3.710 103 HA3 GLY 19 2HA GLY 19 -14.870 -11.190 -1.980 104 HA PRO 20 HA PRO 20 -11.079 -9.325 -3.785 105 HB3 PRO 20 2HB PRO 20 -11.919 -7.529 -4.955 106 HG3 PRO 20 2HG PRO 20 -14.169 -7.134 -4.629 107 HD3 PRO 20 2HD PRO 20 -14.863 -9.231 -3.992 108 HA PRO 21 HA PRO 21 -9.212 -8.533 -0.053 109 HB3 PRO 21 2HB PRO 21 -7.095 -8.364 -0.943 110 HG3 PRO 21 2HG PRO 21 -7.029 -7.694 -3.149 111 HD3 PRO 21 2HD PRO 21 -9.121 -8.351 -3.839 112 H GLN 22 H GLN 22 -9.389 -7.487 1.898 113 HA GLN 22 HA GLN 22 -11.388 -5.751 2.182 114 HB3 GLN 22 2HB GLN 22 -9.772 -4.897 4.213 115 HG3 GLN 22 2HG GLN 22 -10.962 -7.705 4.063 116 HE21 GLN 22 1HE2 GLN 22 -10.818 -4.743 6.042 117 HE22 GLN 22 2HE2 GLN 22 -10.422 -5.503 7.547 118 H ILE 23 H ILE 23 -7.886 -4.752 2.041 119 HA ILE 23 HA ILE 23 -8.674 -2.406 0.543 120 HB ILE 23 HB ILE 23 -8.866 -1.924 3.046 121 HG13 ILE 23 2HG1 ILE 23 -8.389 0.302 2.670 122 HG21 ILE 23 1HG2 ILE 23 -7.131 -2.482 4.318 123 HG22 ILE 23 2HG2 ILE 23 -6.097 -2.782 2.900 124 HG23 ILE 23 3HG2 ILE 23 -6.240 -1.138 3.565 125 HD11 ILE 23 3HD1 ILE 23 -5.861 -0.754 1.647 126 HD12 ILE 23 1HD1 ILE 23 -6.528 0.483 0.555 127 HD13 ILE 23 2HD1 ILE 23 -6.233 0.873 2.266 128 H VAL 24 H VAL 24 -6.723 -1.255 -0.333 129 HA VAL 24 HA VAL 24 -4.358 -2.977 -0.332 130 HB VAL 24 HB VAL 24 -5.704 -1.829 -2.784 131 HG11 VAL 24 1HG1 VAL 24 -3.987 -2.856 -4.083 132 HG12 VAL 24 2HG1 VAL 24 -3.174 -1.929 -2.799 133 HG13 VAL 24 3HG1 VAL 24 -3.322 -3.698 -2.662 134 HG21 VAL 24 3HG2 VAL 24 -5.494 -4.610 -3.036 135 HG22 VAL 24 1HG2 VAL 24 -6.064 -4.344 -1.371 136 HG23 VAL 24 2HG2 VAL 24 -6.975 -3.667 -2.743 137 H LYS 25 H LYS 25 -2.691 -1.773 0.399 138 HA LYS 25 HA LYS 25 -2.630 1.037 -0.445 139 HB3 LYS 25 2HB LYS 25 -3.366 1.071 1.833 140 HG3 LYS 25 2HG LYS 25 -1.143 -0.956 2.223 141 HD3 LYS 25 2HD LYS 25 -1.006 1.121 3.842 142 HE3 LYS 25 2HE LYS 25 -3.696 0.020 4.390 143 HZ1 LYS 25 3HZ LYS 25 -2.573 0.834 6.829 144 HZ2 LYS 25 1HZ LYS 25 -3.406 -0.529 6.489 145 HZ3 LYS 25 2HZ LYS 25 -1.787 -0.487 6.278 146 H ILE 26 H ILE 26 -0.308 1.949 -0.156 147 HA ILE 26 HA ILE 26 1.536 -0.156 -1.044 148 HB ILE 26 HB ILE 26 1.369 2.773 -1.747 149 HG13 ILE 26 2HG1 ILE 26 0.183 0.469 -2.880 150 HG21 ILE 26 1HG2 ILE 26 3.728 1.554 -1.390 151 HG22 ILE 26 2HG2 ILE 26 3.383 1.023 -3.053 152 HG23 ILE 26 3HG2 ILE 26 3.438 2.759 -2.668 153 HD11 ILE 26 3HD1 ILE 26 -0.451 3.003 -2.892 154 HD12 ILE 26 1HD1 ILE 26 0.612 3.109 -4.315 155 HD13 ILE 26 2HD1 ILE 26 -0.815 2.045 -4.346 156 H GLU 27 H GLU 27 2.853 -0.786 0.580 157 HA GLU 27 HA GLU 27 3.179 0.442 2.939 158 HB3 GLU 27 2HB GLU 27 5.701 -0.782 2.085 159 HG3 GLU 27 2HG GLU 27 4.458 -2.595 3.713 160 H ASP 28 H ASP 28 5.124 0.962 -0.063 161 HA ASP 28 HA ASP 28 5.552 3.613 0.453 162 HB3 ASP 28 2HB ASP 28 8.225 2.341 0.819 163 H VAL 29 H VAL 29 7.758 4.297 -0.940 164 HA VAL 29 HA VAL 29 8.217 2.400 -3.084 165 HB VAL 29 HB VAL 29 6.281 3.466 -3.925 166 HG11 VAL 29 1HG1 VAL 29 5.903 5.844 -3.989 167 HG12 VAL 29 2HG1 VAL 29 6.317 5.389 -2.319 168 HG13 VAL 29 3HG1 VAL 29 7.534 6.171 -3.356 169 HG21 VAL 29 3HG2 VAL 29 8.655 4.908 -5.152 170 HG22 VAL 29 1HG2 VAL 29 8.194 3.225 -5.500 171 HG23 VAL 29 2HG2 VAL 29 7.094 4.556 -5.930 172 H TRP 30 H TRP 30 10.364 2.389 -3.497 173 HA TRP 30 HA TRP 30 11.822 4.890 -2.991 174 HB3 TRP 30 2HB TRP 30 12.278 3.483 -1.122 175 HD1 TRP 30 HD TRP 30 14.648 1.215 -2.961 176 HE1 TRP 30 1HE TRP 30 13.981 -1.330 -2.759 177 HE3 TRP 30 3HE TRP 30 10.020 2.040 -1.020 178 HZ2 TRP 30 2HZ TRP 30 11.645 -2.683 -1.831 179 HZ3 TRP 30 3HZ TRP 30 8.611 0.052 -0.494 180 HH2 TRP 30 HH TRP 30 9.355 -2.245 -0.870 181 H GLY 31 H GLY 31 13.493 5.329 -4.516 182 HA2 GLY 31 1HA GLY 31 14.183 5.393 -6.683 183 HA3 GLY 31 2HA GLY 31 14.764 3.790 -6.280 184 H GLU 32 H GLU 32 14.175 2.219 -7.702 185 HA GLU 32 HA GLU 32 11.709 2.687 -9.177 186 HB3 GLU 32 2HB GLU 32 12.722 0.975 -10.796 187 HG3 GLU 32 2HG GLU 32 14.472 3.429 -10.337 188 H ASN 33 H ASN 33 11.499 1.721 -6.519 189 HA ASN 33 HA ASN 33 10.510 -0.942 -7.105 190 HB3 ASN 33 2HB ASN 33 11.328 -1.758 -4.895 191 HD21 ASN 33 1HD2 ASN 33 13.741 0.608 -5.871 192 HD22 ASN 33 2HD2 ASN 33 14.830 -0.477 -6.669 193 H VAL 34 H VAL 34 8.412 -1.219 -6.245 194 HA VAL 34 HA VAL 34 7.506 0.874 -4.389 195 HB VAL 34 HB VAL 34 6.318 -0.330 -6.837 196 HG11 VAL 34 1HG1 VAL 34 4.593 -1.070 -5.471 197 HG12 VAL 34 2HG1 VAL 34 4.781 0.277 -4.322 198 HG13 VAL 34 3HG1 VAL 34 4.040 0.563 -5.916 199 HG21 VAL 34 3HG2 VAL 34 6.025 2.418 -5.580 200 HG22 VAL 34 1HG2 VAL 34 7.281 1.971 -6.760 201 HG23 VAL 34 2HG2 VAL 34 5.565 1.932 -7.230 202 H ALA 35 H ALA 35 6.037 0.217 -2.701 203 HA ALA 35 HA ALA 35 6.177 -2.675 -2.186 204 HB1 ALA 35 3HB ALA 35 6.623 -0.250 -0.490 205 HB2 ALA 35 1HB ALA 35 5.811 -1.640 0.270 206 HB3 ALA 35 2HB ALA 35 7.427 -1.838 -0.448 207 H LEU 36 H LEU 36 4.248 -3.702 -2.282 208 HA LEU 36 HA LEU 36 1.855 -2.029 -2.040 209 HB3 LEU 36 2HB LEU 36 0.781 -4.071 -3.135 210 HG LEU 36 HG LEU 36 2.760 -2.326 -4.590 211 HD11 LEU 36 1HD1 LEU 36 0.923 -4.287 -5.975 212 HD12 LEU 36 2HD1 LEU 36 2.171 -3.243 -6.696 213 HD13 LEU 36 3HD1 LEU 36 2.644 -4.610 -5.660 214 HD21 LEU 36 3HD2 LEU 36 0.497 -1.650 -5.691 215 HD22 LEU 36 1HD2 LEU 36 -0.221 -2.417 -4.253 216 HD23 LEU 36 2HD2 LEU 36 0.907 -1.054 -4.064 217 H THR 37 H THR 37 0.121 -2.673 -0.667 218 HA THR 37 HA THR 37 0.544 -4.975 1.041 219 HB THR 37 HB THR 37 0.162 -3.284 3.053 220 HG1 THR 37 1HG THR 37 1.197 -1.780 0.762 221 HG21 THR 37 3HG2 THR 37 2.862 -3.077 1.648 222 HG22 THR 37 1HG2 THR 37 2.532 -3.057 3.397 223 HG23 THR 37 2HG2 THR 37 2.359 -4.570 2.475 224 H TRP 38 H TRP 38 -1.325 -6.036 0.896 225 HA TRP 38 HA TRP 38 -3.764 -4.390 0.917 226 HB3 TRP 38 2HB TRP 38 -3.601 -5.325 -1.240 227 HD1 TRP 38 HD TRP 38 -4.324 -8.859 -0.033 228 HE1 TRP 38 1HE TRP 38 -2.516 -10.583 -0.884 229 HE3 TRP 38 3HE TRP 38 -1.067 -5.374 -1.795 230 HZ2 TRP 38 2HZ TRP 38 0.017 -10.302 -2.169 231 HZ3 TRP 38 3HZ TRP 38 1.051 -6.182 -2.833 232 HH2 TRP 38 HH TRP 38 1.614 -8.552 -3.035 233 H THR 39 H THR 39 -5.562 -5.310 2.150 234 HA THR 39 HA THR 39 -4.590 -6.959 4.352 235 HB THR 39 HB THR 39 -6.838 -6.182 5.331 236 HG1 THR 39 1HG THR 39 -7.799 -4.457 3.972 237 HG21 THR 39 3HG2 THR 39 -4.809 -4.827 5.822 238 HG22 THR 39 1HG2 THR 39 -4.967 -4.009 4.249 239 HG23 THR 39 2HG2 THR 39 -6.198 -3.758 5.511 240 HA PRO 40 HA PRO 40 -6.743 -10.477 3.178 241 HB3 PRO 40 2HB PRO 40 -5.873 -11.708 4.918 242 HG3 PRO 40 2HG PRO 40 -5.214 -10.463 6.744 243 HD3 PRO 40 2HD PRO 40 -4.840 -8.429 5.738 244 HA PRO 41 HA PRO 41 -10.936 -9.913 2.879 245 HB3 PRO 41 2HB PRO 41 -11.147 -11.406 1.139 246 HG3 PRO 41 2HG PRO 41 -9.488 -13.005 1.036 247 HD3 PRO 41 2HD PRO 41 -7.800 -11.914 2.154 248 H LYS 42 H LYS 42 -12.885 -9.768 3.976 249 HA LYS 42 HA LYS 42 -12.622 -10.510 6.709 250 HB3 LYS 42 2HB LYS 42 -15.214 -9.713 6.433 251 HG3 LYS 42 2HG LYS 42 -13.170 -7.533 6.297 252 HD3 LYS 42 2HD LYS 42 -14.481 -7.650 8.808 253 HE3 LYS 42 2HE LYS 42 -15.877 -6.063 6.746 254 HZ1 LYS 42 3HZ LYS 42 -15.645 -5.680 9.198 255 HZ2 LYS 42 1HZ LYS 42 -14.122 -5.167 8.911 256 HZ3 LYS 42 2HZ LYS 42 -15.388 -4.378 8.247 257 H ASP 43 H ASP 43 -13.327 -12.292 3.948 258 HA ASP 43 HA ASP 43 -14.667 -14.255 5.609 259 HB3 ASP 43 2HB ASP 43 -15.508 -14.107 2.735 260 H ASP 44 H ASP 44 -12.890 -15.699 5.644 261 HA ASP 44 HA ASP 44 -10.926 -16.021 3.930 262 HB3 ASP 44 2HB ASP 44 -10.692 -18.310 4.714 263 H GLY 45 H GLY 45 -13.916 -18.120 3.822 264 HA2 GLY 45 1HA GLY 45 -15.188 -18.381 1.828 265 HA3 GLY 45 2HA GLY 45 -13.741 -18.114 0.877 266 H ASN 46 H ASN 46 -15.735 -20.438 1.034 267 HA ASN 46 HA ASN 46 -14.221 -22.553 2.168 268 HB3 ASN 46 2HB ASN 46 -16.095 -23.783 0.546 269 HD21 ASN 46 1HD2 ASN 46 -18.020 -21.898 2.503 270 HD22 ASN 46 2HD2 ASN 46 -18.003 -22.832 3.962 271 H ALA 47 H ALA 47 -13.699 -20.662 -0.490 272 HA ALA 47 HA ALA 47 -13.079 -22.826 -2.341 273 HB1 ALA 47 3HB ALA 47 -13.114 -19.793 -2.578 274 HB2 ALA 47 1HB ALA 47 -12.606 -20.886 -3.888 275 HB3 ALA 47 2HB ALA 47 -14.276 -20.947 -3.276 276 H ALA 48 H ALA 48 -11.666 -21.195 0.265 277 HA ALA 48 HA ALA 48 -9.595 -21.016 1.021 278 HB1 ALA 48 3HB ALA 48 -9.568 -23.447 0.484 279 HB2 ALA 48 1HB ALA 48 -8.926 -23.064 -1.132 280 HB3 ALA 48 2HB ALA 48 -7.961 -22.699 0.319 281 H ILE 49 H ILE 49 -8.388 -19.207 0.776 282 HA ILE 49 HA ILE 49 -8.216 -17.957 -1.763 283 HB ILE 49 HB ILE 49 -6.781 -17.311 0.815 284 HG13 ILE 49 2HG1 ILE 49 -9.596 -16.916 -0.059 285 HG21 ILE 49 1HG2 ILE 49 -6.203 -15.281 -0.064 286 HG22 ILE 49 2HG2 ILE 49 -6.114 -16.291 -1.528 287 HG23 ILE 49 3HG2 ILE 49 -7.544 -15.273 -1.234 288 HD11 ILE 49 3HD1 ILE 49 -9.873 -17.906 1.955 289 HD12 ILE 49 1HD1 ILE 49 -8.113 -17.890 2.218 290 HD13 ILE 49 2HD1 ILE 49 -9.101 -16.503 2.733 291 H THR 50 H THR 50 -7.193 -19.473 -3.165 292 HA THR 50 HA THR 50 -4.873 -20.849 -2.669 293 HB THR 50 HB THR 50 -6.215 -19.683 -5.132 294 HG1 THR 50 1HG THR 50 -7.115 -21.609 -4.321 295 HG21 THR 50 3HG2 THR 50 -4.645 -20.863 -6.568 296 HG22 THR 50 1HG2 THR 50 -3.670 -19.802 -5.522 297 HG23 THR 50 2HG2 THR 50 -3.786 -21.542 -5.164 298 H GLY 51 H GLY 51 -5.198 -17.488 -3.968 299 HA2 GLY 51 1HA GLY 51 -2.783 -16.683 -2.686 300 HA3 GLY 51 2HA GLY 51 -2.529 -16.955 -4.399 301 H TYR 52 H TYR 52 -2.423 -14.930 -5.313 302 HA TYR 52 HA TYR 52 -4.808 -13.398 -5.455 303 HB3 TYR 52 2HB TYR 52 -3.332 -11.365 -4.456 304 HD1 TYR 52 2HD TYR 52 -5.827 -11.154 -3.962 305 HD2 TYR 52 1HD TYR 52 -3.227 -13.695 -1.708 306 HE1 TYR 52 2HE TYR 52 -7.520 -11.218 -2.068 307 HE2 TYR 52 1HE TYR 52 -4.929 -13.750 0.179 308 HH TYR 52 HH TYR 52 -7.992 -11.963 -0.103 309 H THR 53 H THR 53 -4.816 -12.399 -7.417 310 HA THR 53 HA THR 53 -2.264 -12.301 -8.843 311 HB THR 53 HB THR 53 -5.213 -12.261 -9.636 312 HG1 THR 53 1HG THR 53 -2.838 -13.854 -10.298 313 HG21 THR 53 3HG2 THR 53 -2.775 -12.076 -11.481 314 HG22 THR 53 1HG2 THR 53 -4.483 -12.153 -11.978 315 HG23 THR 53 2HG2 THR 53 -3.863 -10.708 -11.144 316 H ILE 54 H ILE 54 -1.125 -10.484 -9.018 317 HA ILE 54 HA ILE 54 -2.573 -7.984 -8.507 318 HB ILE 54 HB ILE 54 0.294 -8.795 -8.056 319 HG13 ILE 54 2HG1 ILE 54 -2.009 -8.871 -6.429 320 HG21 ILE 54 1HG2 ILE 54 0.115 -6.508 -9.076 321 HG22 ILE 54 2HG2 ILE 54 -0.849 -6.021 -7.661 322 HG23 ILE 54 3HG2 ILE 54 0.836 -6.555 -7.450 323 HD11 ILE 54 3HD1 ILE 54 0.985 -9.082 -5.928 324 HD12 ILE 54 1HD1 ILE 54 -0.215 -9.362 -4.643 325 HD13 ILE 54 2HD1 ILE 54 -0.198 -10.402 -6.086 326 H GLN 55 H GLN 55 -2.374 -6.241 -9.949 327 HA GLN 55 HA GLN 55 -0.769 -6.742 -12.304 328 HB3 GLN 55 2HB GLN 55 -2.557 -6.360 -13.852 329 HG3 GLN 55 2HG GLN 55 -4.095 -7.952 -11.809 330 HE21 GLN 55 1HE2 GLN 55 -4.962 -9.862 -12.796 331 HE22 GLN 55 2HE2 GLN 55 -5.290 -9.913 -14.497 332 H LYS 56 H LYS 56 0.138 -4.858 -13.180 333 HA LYS 56 HA LYS 56 -0.636 -2.382 -11.800 334 HB3 LYS 56 2HB LYS 56 1.658 -3.368 -11.304 335 HG3 LYS 56 2HG LYS 56 2.342 -2.207 -14.034 336 HD3 LYS 56 2HD LYS 56 3.832 -3.970 -12.032 337 HE3 LYS 56 2HE LYS 56 5.282 -2.775 -14.335 338 HZ1 LYS 56 3HZ LYS 56 6.170 -5.048 -14.302 339 HZ2 LYS 56 1HZ LYS 56 6.326 -4.286 -12.866 340 HZ3 LYS 56 2HZ LYS 56 5.169 -5.421 -13.067 341 H ALA 57 H ALA 57 -0.663 -0.417 -13.066 342 HA ALA 57 HA ALA 57 -0.408 -0.707 -15.930 343 HB1 ALA 57 3HB ALA 57 -2.725 0.128 -16.323 344 HB2 ALA 57 1HB ALA 57 -2.698 -1.482 -15.565 345 HB3 ALA 57 2HB ALA 57 -3.057 -0.043 -14.583 346 H ASP 58 H ASP 58 0.644 1.084 -16.625 347 HA ASP 58 HA ASP 58 1.173 3.168 -14.876 348 HB3 ASP 58 2HB ASP 58 2.463 4.061 -16.626 349 H LYS 59 H LYS 59 0.694 5.598 -15.593 350 HA LYS 59 HA LYS 59 -2.171 5.789 -15.934 351 HB3 LYS 59 2HB LYS 59 -0.940 8.348 -15.701 352 HG3 LYS 59 2HG LYS 59 -1.898 7.817 -13.217 353 HD3 LYS 59 2HD LYS 59 -2.838 9.138 -15.463 354 HE3 LYS 59 2HE LYS 59 -4.891 7.023 -14.650 355 HZ1 LYS 59 3HZ LYS 59 -5.488 9.479 -15.248 356 HZ2 LYS 59 1HZ LYS 59 -5.303 8.937 -16.778 357 HZ3 LYS 59 2HZ LYS 59 -6.392 8.231 -15.788 358 H LYS 60 H LYS 60 0.101 5.150 -18.087 359 HA LYS 60 HA LYS 60 -0.233 7.319 -19.920 360 HB3 LYS 60 2HB LYS 60 1.062 5.876 -21.444 361 HG3 LYS 60 2HG LYS 60 3.114 5.747 -20.066 362 HD3 LYS 60 2HD LYS 60 1.568 8.149 -19.034 363 HE3 LYS 60 2HE LYS 60 4.304 8.150 -20.329 364 HZ1 LYS 60 3HZ LYS 60 4.098 9.670 -18.060 365 HZ2 LYS 60 1HZ LYS 60 4.114 10.204 -19.604 366 HZ3 LYS 60 2HZ LYS 60 2.692 9.902 -18.858 367 H SER 61 H SER 61 -1.456 3.921 -19.630 368 HA SER 61 HA SER 61 -3.786 4.786 -21.085 369 HB3 SER 61 2HB SER 61 -3.480 2.417 -22.351 370 HG SER 61 HG SER 61 -2.067 3.887 -23.934 371 H MET 62 H MET 62 -2.816 3.821 -18.303 372 HA MET 62 HA MET 62 -3.299 2.299 -16.775 373 HB3 MET 62 2HB MET 62 -5.898 2.068 -16.563 374 HG3 MET 62 2HG MET 62 -5.608 4.951 -16.941 375 HE1 MET 62 3HE MET 62 -5.522 2.490 -13.053 376 HE2 MET 62 1HE MET 62 -5.657 1.648 -14.615 377 HE3 MET 62 2HE MET 62 -4.221 2.637 -14.260 378 H GLU 63 H GLU 63 -2.254 0.836 -18.843 379 HA GLU 63 HA GLU 63 -4.156 -1.230 -19.479 380 HB3 GLU 63 2HB GLU 63 -2.414 -2.092 -20.972 381 HG3 GLU 63 2HG GLU 63 -2.117 0.898 -21.274 382 H TRP 64 H TRP 64 -4.240 -3.232 -18.495 383 HA TRP 64 HA TRP 64 -2.255 -3.682 -16.382 384 HB3 TRP 64 2HB TRP 64 -3.873 -4.955 -15.242 385 HD1 TRP 64 HD TRP 64 -6.481 -2.889 -17.168 386 HE1 TRP 64 1HE TRP 64 -7.294 -0.811 -15.760 387 HE3 TRP 64 3HE TRP 64 -3.050 -3.401 -13.451 388 HZ2 TRP 64 2HZ TRP 64 -6.430 0.360 -13.305 389 HZ3 TRP 64 3HZ TRP 64 -3.103 -1.749 -11.586 390 HH2 TRP 64 HH TRP 64 -4.717 0.082 -11.474 391 H PHE 65 H PHE 65 -0.857 -5.405 -16.576 392 HA PHE 65 HA PHE 65 -1.539 -7.458 -18.540 393 HB3 PHE 65 2HB PHE 65 1.174 -7.190 -18.871 394 HD1 PHE 65 2HD PHE 65 -1.166 -4.399 -19.686 395 HD2 PHE 65 1HD PHE 65 1.042 -7.728 -21.116 396 HE1 PHE 65 2HE PHE 65 -1.842 -3.836 -22.036 397 HE2 PHE 65 1HE PHE 65 0.366 -7.166 -23.467 398 HZ PHE 65 HZ PHE 65 -1.069 -5.227 -23.899 399 H THR 66 H THR 66 -1.895 -7.724 -15.772 400 HA THR 66 HA THR 66 -1.322 -8.956 -14.008 401 HB THR 66 HB THR 66 0.018 -10.502 -16.283 402 HG1 THR 66 1HG THR 66 -2.367 -10.885 -14.621 403 HG21 THR 66 3HG2 THR 66 -0.278 -12.474 -14.674 404 HG22 THR 66 1HG2 THR 66 1.038 -11.360 -14.233 405 HG23 THR 66 2HG2 THR 66 -0.517 -11.284 -13.372 406 H VAL 67 H VAL 67 0.512 -9.817 -12.598 407 HA VAL 67 HA VAL 67 3.069 -8.602 -13.166 408 HB VAL 67 HB VAL 67 1.134 -7.555 -11.148 409 HG11 VAL 67 1HG1 VAL 67 3.434 -6.492 -10.189 410 HG12 VAL 67 2HG1 VAL 67 2.644 -7.929 -9.497 411 HG13 VAL 67 3HG1 VAL 67 4.002 -8.119 -10.632 412 HG21 VAL 67 3HG2 VAL 67 1.484 -6.260 -13.156 413 HG22 VAL 67 1HG2 VAL 67 2.233 -5.404 -11.786 414 HG23 VAL 67 2HG2 VAL 67 3.250 -6.310 -12.933 415 H ILE 68 H ILE 68 0.888 -10.309 -10.845 416 HA ILE 68 HA ILE 68 2.976 -12.287 -10.492 417 HB ILE 68 HB ILE 68 2.952 -10.287 -8.710 418 HG13 ILE 68 2HG1 ILE 68 4.311 -12.576 -9.010 419 HG21 ILE 68 1HG2 ILE 68 1.219 -12.355 -7.355 420 HG22 ILE 68 2HG2 ILE 68 1.701 -10.747 -6.766 421 HG23 ILE 68 3HG2 ILE 68 0.553 -10.892 -8.119 422 HD11 ILE 68 3HD1 ILE 68 4.673 -10.288 -7.593 423 HD12 ILE 68 1HD1 ILE 68 4.457 -11.433 -6.245 424 HD13 ILE 68 2HD1 ILE 68 5.753 -11.695 -7.438 425 H GLU 69 H GLU 69 2.148 -14.341 -9.808 426 HA GLU 69 HA GLU 69 -0.715 -14.466 -9.473 427 HB3 GLU 69 2HB GLU 69 -1.000 -16.171 -11.222 428 HG3 GLU 69 2HG GLU 69 0.568 -13.938 -12.548 429 H HIS 70 H HIS 70 -1.340 -16.130 -8.080 430 HA HIS 70 HA HIS 70 -1.177 -17.855 -6.727 431 HB3 HIS 70 2HB HIS 70 0.317 -19.679 -7.142 432 HD1 HIS 70 1HD HIS 70 -1.508 -20.872 -8.418 433 HD2 HIS 70 2HD HIS 70 0.277 -17.798 -10.645 434 HE1 HIS 70 1HE HIS 70 -2.450 -21.063 -10.782 435 H TYR 71 H TYR 71 -0.697 -15.683 -5.459 436 HA TYR 71 HA TYR 71 1.943 -15.951 -4.190 437 HB3 TYR 71 2HB TYR 71 0.014 -13.601 -3.939 438 HD1 TYR 71 2HD TYR 71 2.791 -14.967 -2.681 439 HD2 TYR 71 1HD TYR 71 1.707 -11.451 -4.866 440 HE1 TYR 71 2HE TYR 71 4.813 -13.747 -1.738 441 HE2 TYR 71 1HE TYR 71 3.733 -10.244 -3.915 442 HH TYR 71 HH TYR 71 5.215 -10.935 -1.382 443 H HIS 72 H HIS 72 2.003 -16.697 -2.130 444 HA HIS 72 HA HIS 72 -0.493 -17.134 -0.788 445 HB3 HIS 72 2HB HIS 72 2.308 -17.684 0.220 446 HD1 HIS 72 1HD HIS 72 1.924 -20.366 1.361 447 HD2 HIS 72 2HD HIS 72 -1.093 -17.462 1.610 448 HE1 HIS 72 1HE HIS 72 0.420 -21.062 3.301 449 H ARG 73 H ARG 73 2.425 -15.052 -0.451 450 HA ARG 73 HA ARG 73 1.775 -14.024 2.019 451 HB3 ARG 73 2HB ARG 73 3.058 -11.965 0.477 452 HG3 ARG 73 2HG ARG 73 3.572 -12.742 2.844 453 HD3 ARG 73 2HD ARG 73 3.866 -15.251 1.654 454 HE ARG 73 HE ARG 73 6.379 -14.030 1.322 455 HH11 ARG 73 2HH2 ARG 73 5.102 -16.848 2.997 456 HH12 ARG 73 1HH2 ARG 73 6.576 -17.750 2.872 457 HH21 ARG 73 2HH1 ARG 73 8.324 -15.218 1.156 458 HH22 ARG 73 1HH1 ARG 73 8.421 -16.816 1.818 459 H THR 74 H THR 74 1.749 -11.175 1.693 460 HA THR 74 HA THR 74 -0.662 -10.648 0.116 461 HB THR 74 HB THR 74 -1.403 -9.304 2.262 462 HG1 THR 74 1HG THR 74 0.648 -9.688 3.368 463 HG21 THR 74 3HG2 THR 74 -2.129 -11.566 3.412 464 HG22 THR 74 1HG2 THR 74 -2.789 -11.188 1.803 465 HG23 THR 74 2HG2 THR 74 -1.437 -12.332 1.963 466 H SER 75 H SER 75 2.377 -10.099 0.046 467 HA SER 75 HA SER 75 1.994 -7.261 -0.411 468 HB3 SER 75 2HB SER 75 3.164 -6.997 1.574 469 HG SER 75 HG SER 75 4.724 -8.487 2.364 470 H ALA 76 H ALA 76 3.571 -6.370 -2.006 471 HA ALA 76 HA ALA 76 5.098 -8.385 -3.452 472 HB1 ALA 76 3HB ALA 76 2.745 -6.813 -4.503 473 HB2 ALA 76 1HB ALA 76 4.074 -7.271 -5.594 474 HB3 ALA 76 2HB ALA 76 3.151 -8.530 -4.740 475 H THR 77 H THR 77 6.601 -7.312 -5.065 476 HA THR 77 HA THR 77 7.150 -4.521 -4.336 477 HB THR 77 HB THR 77 9.148 -6.844 -4.412 478 HG1 THR 77 1HG THR 77 8.534 -6.837 -2.288 479 HG21 THR 77 3HG2 THR 77 10.860 -5.306 -4.104 480 HG22 THR 77 1HG2 THR 77 9.764 -4.241 -5.018 481 HG23 THR 77 2HG2 THR 77 9.804 -4.163 -3.240 482 H ILE 78 H ILE 78 6.582 -3.515 -6.191 483 HA ILE 78 HA ILE 78 7.063 -4.739 -8.718 484 HB ILE 78 HB ILE 78 6.294 -1.892 -8.076 485 HG13 ILE 78 2HG1 ILE 78 4.057 -2.499 -7.958 486 HG21 ILE 78 1HG2 ILE 78 6.249 -3.562 -10.581 487 HG22 ILE 78 2HG2 ILE 78 5.141 -2.187 -10.363 488 HG23 ILE 78 3HG2 ILE 78 6.901 -1.925 -10.324 489 HD11 ILE 78 3HD1 ILE 78 4.818 -5.248 -9.048 490 HD12 ILE 78 1HD1 ILE 78 3.177 -4.708 -8.618 491 HD13 ILE 78 2HD1 ILE 78 4.032 -3.956 -9.986 492 H THR 79 H THR 79 8.412 -3.729 -10.449 493 HA THR 79 HA THR 79 10.665 -2.184 -9.412 494 HB THR 79 HB THR 79 12.138 -3.882 -10.757 495 HG1 THR 79 1HG THR 79 10.950 -6.007 -10.761 496 HG21 THR 79 3HG2 THR 79 12.305 -3.962 -8.326 497 HG22 THR 79 1HG2 THR 79 10.682 -4.677 -8.187 498 HG23 THR 79 2HG2 THR 79 12.019 -5.629 -8.877 499 H GLU 80 H GLU 80 12.245 -2.059 -11.636 500 HA GLU 80 HA GLU 80 12.384 -0.662 -13.333 501 HB3 GLU 80 2HB GLU 80 11.022 -1.581 -15.386 502 HG3 GLU 80 2HG GLU 80 12.812 -3.532 -13.869 503 H LEU 81 H LEU 81 11.407 1.201 -12.206 504 HA LEU 81 HA LEU 81 8.852 1.918 -13.452 505 HB3 LEU 81 2HB LEU 81 8.270 3.080 -11.321 506 HG LEU 81 HG LEU 81 8.585 0.073 -11.184 507 HD11 LEU 81 1HD1 LEU 81 8.477 1.318 -8.927 508 HD12 LEU 81 2HD1 LEU 81 6.785 1.658 -9.363 509 HD13 LEU 81 3HD1 LEU 81 7.345 -0.025 -9.215 510 HD21 LEU 81 3HD2 LEU 81 6.116 1.757 -11.677 511 HD22 LEU 81 1HD2 LEU 81 7.094 0.992 -12.953 512 HD23 LEU 81 2HD2 LEU 81 6.251 -0.016 -11.752 513 H VAL 82 H VAL 82 8.604 4.172 -13.933 514 HA VAL 82 HA VAL 82 11.165 5.451 -14.343 515 HB VAL 82 HB VAL 82 9.772 5.461 -16.219 516 HG11 VAL 82 1HG1 VAL 82 7.395 6.727 -15.774 517 HG12 VAL 82 2HG1 VAL 82 7.613 4.960 -15.790 518 HG13 VAL 82 3HG1 VAL 82 7.606 5.842 -14.244 519 HG21 VAL 82 3HG2 VAL 82 10.779 7.741 -15.355 520 HG22 VAL 82 1HG2 VAL 82 9.706 7.701 -16.776 521 HG23 VAL 82 2HG2 VAL 82 9.064 8.191 -15.190 522 H ILE 83 H ILE 83 11.928 7.229 -13.246 523 HA ILE 83 HA ILE 83 10.539 7.894 -10.823 524 HB ILE 83 HB ILE 83 13.165 8.743 -12.033 525 HG13 ILE 83 2HG1 ILE 83 12.988 6.409 -11.214 526 HG21 ILE 83 1HG2 ILE 83 13.294 10.467 -10.649 527 HG22 ILE 83 2HG2 ILE 83 11.629 10.154 -10.106 528 HG23 ILE 83 3HG2 ILE 83 12.998 9.398 -9.257 529 HD11 ILE 83 3HD1 ILE 83 15.103 6.483 -10.328 530 HD12 ILE 83 1HD1 ILE 83 15.012 8.202 -10.780 531 HD13 ILE 83 2HD1 ILE 83 14.657 7.702 -9.110 532 H GLY 84 H GLY 84 9.026 9.450 -10.626 533 HA2 GLY 84 1HA GLY 84 8.455 11.746 -10.863 534 HA3 GLY 84 2HA GLY 84 9.192 11.760 -12.453 535 H ASN 85 H ASN 85 7.556 8.793 -11.980 536 HA ASN 85 HA ASN 85 5.206 9.904 -13.304 537 HB3 ASN 85 2HB ASN 85 5.473 7.077 -13.847 538 HD21 ASN 85 1HD2 ASN 85 7.388 8.655 -16.037 539 HD22 ASN 85 2HD2 ASN 85 6.205 9.190 -17.183 540 H GLU 86 H GLU 86 3.233 8.279 -13.026 541 HA GLU 86 HA GLU 86 3.344 7.290 -10.285 542 HB3 GLU 86 2HB GLU 86 1.761 9.204 -10.776 543 HG3 GLU 86 2HG GLU 86 -0.386 7.644 -11.873 544 H TYR 87 H TYR 87 1.647 5.433 -9.896 545 HA TYR 87 HA TYR 87 1.213 3.776 -12.226 546 HB3 TYR 87 2HB TYR 87 2.397 1.894 -10.741 547 HD1 TYR 87 1HD TYR 87 2.883 1.597 -13.208 548 HD2 TYR 87 2HD TYR 87 4.984 4.424 -10.781 549 HE1 TYR 87 1HE TYR 87 4.734 1.724 -14.945 550 HE2 TYR 87 2HE TYR 87 6.829 4.541 -12.526 551 HH TYR 87 HH TYR 87 6.640 2.573 -15.482 552 H TYR 88 H TYR 88 -0.381 2.152 -11.877 553 HA TYR 88 HA TYR 88 -1.697 2.358 -9.251 554 HB3 TYR 88 2HB TYR 88 -3.725 1.699 -10.850 555 HD1 TYR 88 2HD TYR 88 -3.130 3.785 -8.832 556 HD2 TYR 88 1HD TYR 88 -3.537 4.092 -13.079 557 HE1 TYR 88 2HE TYR 88 -3.821 6.220 -8.596 558 HE2 TYR 88 1HE TYR 88 -4.227 6.527 -12.829 559 HH TYR 88 HH TYR 88 -4.210 8.264 -11.415 560 H PHE 89 H PHE 89 -2.273 0.459 -8.217 561 HA PHE 89 HA PHE 89 -1.794 -2.008 -9.729 562 HB3 PHE 89 2HB PHE 89 -0.650 -2.878 -7.729 563 HD1 PHE 89 1HD PHE 89 -0.084 0.656 -6.953 564 HD2 PHE 89 2HD PHE 89 1.251 -2.677 -9.216 565 HE1 PHE 89 1HE PHE 89 2.065 1.854 -7.449 566 HE2 PHE 89 2HE PHE 89 3.401 -1.479 -9.712 567 HZ PHE 89 HZ PHE 89 3.782 0.772 -8.823 568 H ARG 90 H ARG 90 -2.919 -3.933 -8.787 569 HA ARG 90 HA ARG 90 -4.988 -3.325 -6.915 570 HB3 ARG 90 2HB ARG 90 -6.007 -2.687 -9.119 571 HG3 ARG 90 2HG ARG 90 -6.389 -5.387 -10.131 572 HD3 ARG 90 2HD ARG 90 -4.965 -4.073 -12.060 573 HE ARG 90 HE ARG 90 -7.780 -3.230 -11.608 574 HH11 ARG 90 2HH2 ARG 90 -5.529 -5.510 -13.061 575 HH12 ARG 90 1HH2 ARG 90 -6.699 -6.164 -14.157 576 HH21 ARG 90 2HH1 ARG 90 -9.326 -4.093 -13.054 577 HH22 ARG 90 1HH1 ARG 90 -8.873 -5.352 -14.154 578 H VAL 91 H VAL 91 -5.780 -5.251 -5.870 579 HA VAL 91 HA VAL 91 -4.259 -7.649 -6.594 580 HB VAL 91 HB VAL 91 -5.515 -6.720 -4.008 581 HG11 VAL 91 1HG1 VAL 91 -4.941 -8.745 -2.971 582 HG12 VAL 91 2HG1 VAL 91 -5.663 -9.245 -4.519 583 HG13 VAL 91 3HG1 VAL 91 -3.894 -9.249 -4.320 584 HG21 VAL 91 3HG2 VAL 91 -2.911 -7.214 -3.445 585 HG22 VAL 91 1HG2 VAL 91 -2.774 -6.706 -5.146 586 HG23 VAL 91 2HG2 VAL 91 -3.532 -5.624 -3.952 587 H PHE 92 H PHE 92 -5.320 -9.653 -6.864 588 HA PHE 92 HA PHE 92 -8.244 -9.425 -7.029 589 HB3 PHE 92 2HB PHE 92 -7.697 -11.331 -8.852 590 HD1 PHE 92 2HD PHE 92 -9.622 -9.853 -9.530 591 HD2 PHE 92 1HD PHE 92 -5.576 -8.646 -9.954 592 HE1 PHE 92 2HE PHE 92 -10.320 -8.092 -11.177 593 HE2 PHE 92 1HE PHE 92 -6.275 -6.884 -11.600 594 HZ PHE 92 HZ PHE 92 -8.638 -6.628 -12.192 595 H SER 93 H SER 93 -9.475 -11.200 -6.300 596 HA SER 93 HA SER 93 -8.017 -12.911 -4.524 597 HB3 SER 93 2HB SER 93 -9.933 -12.407 -3.395 598 HG SER 93 HG SER 93 -10.780 -10.914 -4.897 599 H GLU 94 H GLU 94 -7.420 -15.006 -4.991 600 HA GLU 94 HA GLU 94 -8.726 -16.204 -7.309 601 HB3 GLU 94 2HB GLU 94 -6.228 -17.477 -6.990 602 HG3 GLU 94 2HG GLU 94 -5.771 -15.647 -8.984 603 H ASN 95 H ASN 95 -8.813 -18.639 -7.266 604 HA ASN 95 HA ASN 95 -8.177 -20.062 -4.992 605 HB3 ASN 95 2HB ASN 95 -9.887 -19.065 -3.687 606 HD21 ASN 95 1HD2 ASN 95 -10.370 -17.037 -4.487 607 HD22 ASN 95 2HD2 ASN 95 -11.782 -16.697 -5.430 608 H MET 96 H MET 96 -10.912 -19.625 -7.367 609 HA MET 96 HA MET 96 -10.100 -21.731 -8.971 610 HB3 MET 96 2HB MET 96 -10.797 -23.332 -7.337 611 HG3 MET 96 2HG MET 96 -13.213 -21.527 -6.825 612 HE1 MET 96 3HE MET 96 -15.527 -23.933 -6.333 613 HE2 MET 96 1HE MET 96 -15.321 -23.009 -4.825 614 HE3 MET 96 2HE MET 96 -15.020 -22.227 -6.395 615 H CYS 97 H CYS 97 -12.787 -19.747 -7.660 616 HA CYS 97 HA CYS 97 -14.577 -19.993 -9.717 617 HB3 CYS 97 2HB CYS 97 -15.258 -18.867 -7.740 618 HG CYS 97 HG CYS 97 -13.807 -16.091 -8.193 619 H GLY 98 H GLY 98 -11.761 -17.743 -9.308 620 HA2 GLY 98 1HA GLY 98 -10.437 -17.458 -11.375 621 HA3 GLY 98 2HA GLY 98 -11.949 -17.135 -12.199 622 H LEU 99 H LEU 99 -9.381 -15.818 -10.242 623 HA LEU 99 HA LEU 99 -9.164 -13.849 -9.159 624 HB3 LEU 99 2HB LEU 99 -9.085 -12.019 -10.742 625 HG LEU 99 HG LEU 99 -7.786 -12.951 -12.592 626 HD11 LEU 99 1HD1 LEU 99 -6.024 -13.184 -11.254 627 HD12 LEU 99 2HD1 LEU 99 -7.161 -13.070 -9.890 628 HD13 LEU 99 3HD1 LEU 99 -6.680 -14.665 -10.515 629 HD21 LEU 99 3HD2 LEU 99 -7.815 -15.097 -13.296 630 HD22 LEU 99 1HD2 LEU 99 -8.045 -15.753 -11.657 631 HD23 LEU 99 2HD2 LEU 99 -9.431 -15.081 -12.549 632 H SER 100 H SER 100 -10.696 -11.358 -10.060 633 HA SER 100 HA SER 100 -13.281 -12.012 -8.921 634 HB3 SER 100 2HB SER 100 -12.232 -11.236 -6.958 635 HG SER 100 HG SER 100 -11.156 -8.834 -7.866 636 H GLU 101 H GLU 101 -14.964 -10.415 -9.469 637 HA GLU 101 HA GLU 101 -14.882 -9.567 -12.028 638 HB3 GLU 101 2HB GLU 101 -16.543 -7.765 -10.454 639 HG3 GLU 101 2HG GLU 101 -18.024 -9.955 -11.562 640 H ASP 102 H ASP 102 -13.711 -7.907 -9.095 641 HA ASP 102 HA ASP 102 -12.483 -5.963 -10.846 642 HB3 ASP 102 2HB ASP 102 -14.141 -4.496 -10.181 643 H ALA 103 H ALA 103 -10.820 -4.603 -9.402 644 HA ALA 103 HA ALA 103 -9.830 -6.290 -7.214 645 HB1 ALA 103 3HB ALA 103 -8.516 -6.782 -9.226 646 HB2 ALA 103 1HB ALA 103 -8.216 -5.046 -9.477 647 HB3 ALA 103 2HB ALA 103 -7.529 -5.872 -8.058 648 H THR 104 H THR 104 -9.612 -5.146 -5.358 649 HA THR 104 HA THR 104 -10.238 -2.429 -5.229 650 HB THR 104 HB THR 104 -8.813 -4.353 -3.323 651 HG1 THR 104 1HG THR 104 -11.073 -4.753 -3.995 652 HG21 THR 104 3HG2 THR 104 -8.596 -2.638 -1.832 653 HG22 THR 104 1HG2 THR 104 -9.129 -1.494 -3.088 654 HG23 THR 104 2HG2 THR 104 -10.326 -2.263 -2.018 655 H MET 105 H MET 105 -9.118 -1.016 -6.500 656 HA MET 105 HA MET 105 -6.328 -1.210 -6.772 657 HB3 MET 105 2HB MET 105 -8.101 1.242 -7.255 658 HG3 MET 105 2HG MET 105 -6.175 0.648 -9.336 659 HE1 MET 105 3HE MET 105 -6.562 4.178 -10.183 660 HE2 MET 105 1HE MET 105 -6.010 2.545 -10.627 661 HE3 MET 105 2HE MET 105 -7.711 2.818 -10.179 662 H THR 106 H THR 106 -4.674 0.268 -5.984 663 HA THR 106 HA THR 106 -4.795 0.807 -3.284 664 HB THR 106 HB THR 106 -2.770 2.304 -3.896 665 HG1 THR 106 1HG THR 106 -3.479 2.891 -6.026 666 HG21 THR 106 3HG2 THR 106 -3.133 -0.588 -4.430 667 HG22 THR 106 1HG2 THR 106 -1.861 0.147 -5.435 668 HG23 THR 106 2HG2 THR 106 -1.764 0.252 -3.661 669 H LYS 107 H LYS 107 -6.054 2.117 -2.134 670 HA LYS 107 HA LYS 107 -7.785 3.939 -3.049 671 HB3 LYS 107 2HB LYS 107 -6.757 5.007 -0.621 672 HG3 LYS 107 2HG LYS 107 -8.800 3.304 0.094 673 HD3 LYS 107 2HD LYS 107 -8.838 6.046 -1.217 674 HE3 LYS 107 2HE LYS 107 -11.166 4.367 -0.207 675 HZ1 LYS 107 3HZ LYS 107 -11.650 6.265 0.877 676 HZ2 LYS 107 1HZ LYS 107 -10.756 7.227 -0.094 677 HZ3 LYS 107 2HZ LYS 107 -12.225 6.708 -0.586 678 H GLU 108 H GLU 108 -4.266 4.312 -2.764 679 HA GLU 108 HA GLU 108 -4.610 6.941 -3.976 680 HB3 GLU 108 2HB GLU 108 -3.870 7.201 -1.629 681 HG3 GLU 108 2HG GLU 108 -1.434 5.582 -2.514 682 H SER 109 H SER 109 -2.342 7.630 -5.031 683 HA SER 109 HA SER 109 -1.605 5.337 -6.640 684 HB3 SER 109 2HB SER 109 -0.922 8.270 -7.107 685 HG SER 109 HG SER 109 -1.351 6.746 -9.340 686 H ALA 110 H ALA 110 0.871 5.598 -7.485 687 HA ALA 110 HA ALA 110 2.511 6.184 -5.116 688 HB1 ALA 110 3HB ALA 110 2.328 3.738 -6.847 689 HB2 ALA 110 1HB ALA 110 3.926 4.210 -6.220 690 HB3 ALA 110 2HB ALA 110 2.591 3.874 -5.092 691 H VAL 111 H VAL 111 4.022 7.719 -5.513 692 HA VAL 111 HA VAL 111 4.657 8.235 -8.330 693 HB VAL 111 HB VAL 111 5.599 10.305 -6.660 694 HG11 VAL 111 1HG1 VAL 111 3.754 11.596 -7.833 695 HG12 VAL 111 2HG1 VAL 111 4.888 10.723 -8.891 696 HG13 VAL 111 3HG1 VAL 111 3.268 10.055 -8.577 697 HG21 VAL 111 3HG2 VAL 111 3.481 11.030 -5.559 698 HG22 VAL 111 1HG2 VAL 111 2.778 9.443 -5.947 699 HG23 VAL 111 2HG2 VAL 111 4.179 9.552 -4.855 700 H ILE 112 H ILE 112 6.688 7.845 -9.080 701 HA ILE 112 HA ILE 112 8.572 6.725 -7.200 702 HB ILE 112 HB ILE 112 8.816 7.105 -10.185 703 HG13 ILE 112 2HG1 ILE 112 7.979 4.851 -10.447 704 HG21 ILE 112 1HG2 ILE 112 10.154 4.823 -8.948 705 HG22 ILE 112 2HG2 ILE 112 10.778 6.052 -10.074 706 HG23 ILE 112 3HG2 ILE 112 10.735 6.386 -8.326 707 HD11 ILE 112 3HD1 ILE 112 8.029 3.406 -8.707 708 HD12 ILE 112 1HD1 ILE 112 8.439 4.725 -7.583 709 HD13 ILE 112 2HD1 ILE 112 6.734 4.352 -7.934 710 H ALA 113 H ALA 113 10.681 7.545 -6.785 711 HA ALA 113 HA ALA 113 11.562 9.969 -7.953 712 HB1 ALA 113 3HB ALA 113 11.393 10.775 -5.249 713 HB2 ALA 113 1HB ALA 113 10.500 11.449 -6.635 714 HB3 ALA 113 2HB ALA 113 9.782 10.141 -5.663 715 H ARG 114 H ARG 114 13.771 10.282 -7.526 716 HA ARG 114 HA ARG 114 15.058 8.020 -6.481 717 HB3 ARG 114 2HB ARG 114 16.964 10.116 -6.670 718 HG3 ARG 114 2HG ARG 114 16.382 8.696 -9.201 719 HD3 ARG 114 2HD ARG 114 18.645 9.485 -7.553 720 HE ARG 114 HE ARG 114 18.340 6.747 -7.361 721 HH11 ARG 114 2HH2 ARG 114 20.641 8.809 -9.045 722 HH12 ARG 114 1HH2 ARG 114 21.933 7.658 -8.953 723 HH21 ARG 114 2HH1 ARG 114 20.043 5.230 -7.238 724 HH22 ARG 114 1HH1 ARG 114 21.590 5.609 -7.918 725 H ASP 115 H ASP 115 13.644 8.516 -4.328 726 HA ASP 115 HA ASP 115 15.549 9.269 -2.408 727 HB3 ASP 115 2HB ASP 115 13.071 10.976 -2.232 728 H GLY 116 H GLY 116 11.962 9.175 -3.070 729 HA2 GLY 116 1HA GLY 116 10.263 8.262 -1.875 730 HA3 GLY 116 2HA GLY 116 11.261 6.826 -1.995 731 H LYS 117 H LYS 117 10.235 9.520 0.078 732 HA LYS 117 HA LYS 117 11.855 8.528 2.276 733 HB3 LYS 117 2HB LYS 117 11.761 10.943 1.866 734 HG3 LYS 117 2HG LYS 117 8.791 10.438 2.152 735 HD3 LYS 117 2HD LYS 117 10.357 12.824 3.141 736 HE3 LYS 117 2HE LYS 117 7.457 13.169 2.396 737 HZ1 LYS 117 3HZ LYS 117 9.749 14.779 3.031 738 HZ2 LYS 117 1HZ LYS 117 8.771 15.392 1.875 739 HZ3 LYS 117 2HZ LYS 117 8.170 15.040 3.353 740 H ILE 118 H ILE 118 9.923 9.299 4.346 741 HA ILE 118 HA ILE 118 8.645 6.827 4.633 742 HB ILE 118 HB ILE 118 7.897 9.357 6.078 743 HG13 ILE 118 2HG1 ILE 118 10.528 8.198 5.867 744 HG21 ILE 118 1HG2 ILE 118 8.241 6.776 7.482 745 HG22 ILE 118 2HG2 ILE 118 6.989 8.029 7.656 746 HG23 ILE 118 3HG2 ILE 118 6.893 6.856 6.321 747 HD11 ILE 118 3HD1 ILE 118 9.433 10.417 7.656 748 HD12 ILE 118 1HD1 ILE 118 11.129 10.184 7.168 749 HD13 ILE 118 2HD1 ILE 118 9.907 10.640 5.954 750 H TYR 119 H TYR 119 6.148 8.655 5.617 751 HA TYR 119 HA TYR 119 4.109 9.087 4.864 752 HB3 TYR 119 2HB TYR 119 5.298 9.095 2.037 753 HD1 TYR 119 1HD TYR 119 3.172 10.918 4.531 754 HD2 TYR 119 2HD TYR 119 3.940 10.067 0.409 755 HE1 TYR 119 1HE TYR 119 1.069 12.186 3.870 756 HE2 TYR 119 2HE TYR 119 1.835 11.337 -0.238 757 HH TYR 119 HH TYR 119 -0.288 12.697 2.258 758 H LYS 120 H LYS 120 2.348 7.797 4.450 759 HA LYS 120 HA LYS 120 2.901 5.375 2.880 760 HB3 LYS 120 2HB LYS 120 2.657 5.003 5.343 761 HG3 LYS 120 2HG LYS 120 -0.038 6.246 4.740 762 HD3 LYS 120 2HD LYS 120 0.514 4.374 7.085 763 HE3 LYS 120 2HE LYS 120 -1.806 6.066 6.152 764 HZ1 LYS 120 3HZ LYS 120 -2.068 3.594 7.719 765 HZ2 LYS 120 1HZ LYS 120 -3.263 4.656 7.390 766 HZ3 LYS 120 2HZ LYS 120 -2.593 3.782 6.184 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -5.324 4.734 16.444 2 HA2 GLY 1 1HA GLY 1 -7.683 5.046 17.939 3 HA3 GLY 1 2HA GLY 1 -8.087 5.140 16.237 4 H SER 2 H SER 2 -9.316 3.086 16.787 5 HA SER 2 HA SER 2 -7.804 0.902 15.879 6 HB3 SER 2 2HB SER 2 -7.144 0.947 18.323 7 HG SER 2 HG SER 2 -8.712 1.186 19.750 8 H SER 3 H SER 3 -9.286 -1.164 15.860 9 HA SER 3 HA SER 3 -12.075 -0.349 15.898 10 HB3 SER 3 2HB SER 3 -11.089 -2.141 13.679 11 HG SER 3 HG SER 3 -13.234 -1.896 13.429 12 H GLY 4 H GLY 4 -13.542 -2.042 16.476 13 HA2 GLY 4 1HA GLY 4 -12.505 -4.092 18.093 14 HA3 GLY 4 2HA GLY 4 -14.159 -3.922 17.542 15 H SER 5 H SER 5 -13.257 -6.477 17.746 16 HA SER 5 HA SER 5 -12.454 -7.181 15.039 17 HB3 SER 5 2HB SER 5 -12.469 -9.376 16.993 18 HG SER 5 HG SER 5 -11.159 -9.708 15.251 19 H SER 6 H SER 6 -13.673 -8.785 13.864 20 HA SER 6 HA SER 6 -16.259 -9.354 15.091 21 HB3 SER 6 2HB SER 6 -16.507 -9.490 12.250 22 HG SER 6 HG SER 6 -17.938 -8.593 14.154 23 H GLY 7 H GLY 7 -17.359 -11.324 13.841 24 HA2 GLY 7 1HA GLY 7 -15.289 -13.412 13.613 25 HA3 GLY 7 2HA GLY 7 -16.952 -13.652 14.108 26 H ALA 8 H ALA 8 -17.509 -15.178 12.505 27 HA ALA 8 HA ALA 8 -17.331 -14.192 9.743 28 HB1 ALA 8 3HB ALA 8 -16.959 -16.359 9.060 29 HB2 ALA 8 1HB ALA 8 -16.266 -16.464 10.696 30 HB3 ALA 8 2HB ALA 8 -17.916 -17.058 10.388 31 H SER 9 H SER 9 -19.423 -16.232 11.914 32 HA SER 9 HA SER 9 -21.579 -16.374 12.126 33 HB3 SER 9 2HB SER 9 -22.937 -14.272 11.120 34 HG SER 9 HG SER 9 -22.927 -14.310 13.306 35 H ILE 10 H ILE 10 -22.897 -17.760 10.989 36 HA ILE 10 HA ILE 10 -22.523 -17.919 8.138 37 HB ILE 10 HB ILE 10 -24.049 -19.887 8.386 38 HG13 ILE 10 2HG1 ILE 10 -24.701 -18.701 10.832 39 HG21 ILE 10 1HG2 ILE 10 -21.838 -20.500 8.297 40 HG22 ILE 10 2HG2 ILE 10 -21.410 -19.603 9.774 41 HG23 ILE 10 3HG2 ILE 10 -22.302 -21.140 9.892 42 HD11 ILE 10 3HD1 ILE 10 -26.411 -19.990 9.984 43 HD12 ILE 10 1HD1 ILE 10 -25.300 -21.223 9.340 44 HD13 ILE 10 2HD1 ILE 10 -25.715 -21.215 11.071 45 H ASP 11 H ASP 11 -23.565 -16.482 6.860 46 HA ASP 11 HA ASP 11 -26.365 -16.443 6.901 47 HB3 ASP 11 2HB ASP 11 -25.677 -14.826 8.818 48 H ILE 12 H ILE 12 -27.095 -15.654 4.839 49 HA ILE 12 HA ILE 12 -26.747 -15.388 2.639 50 HB ILE 12 HB ILE 12 -25.758 -12.862 3.932 51 HG13 ILE 12 2HG1 ILE 12 -28.157 -13.621 4.167 52 HG21 ILE 12 1HG2 ILE 12 -25.673 -13.623 1.075 53 HG22 ILE 12 2HG2 ILE 12 -26.414 -12.045 1.435 54 HG23 ILE 12 3HG2 ILE 12 -24.753 -12.390 1.972 55 HD11 ILE 12 3HD1 ILE 12 -28.691 -11.222 2.703 56 HD12 ILE 12 1HD1 ILE 12 -28.471 -11.400 4.461 57 HD13 ILE 12 2HD1 ILE 12 -27.071 -11.045 3.419 58 H GLN 13 H GLN 13 -25.303 -17.131 2.187 59 HA GLN 13 HA GLN 13 -22.505 -16.339 2.128 60 HB3 GLN 13 2HB GLN 13 -22.497 -19.023 1.539 61 HG3 GLN 13 2HG GLN 13 -22.435 -17.514 4.172 62 HE21 GLN 13 1HE2 GLN 13 -23.720 -18.767 5.465 63 HE22 GLN 13 2HE2 GLN 13 -23.344 -20.396 5.917 64 H ILE 14 H ILE 14 -21.240 -16.639 0.186 65 HA ILE 14 HA ILE 14 -22.878 -17.068 -2.213 66 HB ILE 14 HB ILE 14 -20.572 -15.167 -2.211 67 HG13 ILE 14 2HG1 ILE 14 -21.982 -14.482 -0.303 68 HG21 ILE 14 1HG2 ILE 14 -23.120 -14.840 -3.745 69 HG22 ILE 14 2HG2 ILE 14 -21.453 -14.391 -4.180 70 HG23 ILE 14 3HG2 ILE 14 -21.963 -16.095 -4.246 71 HD11 ILE 14 3HD1 ILE 14 -22.857 -12.296 -1.859 72 HD12 ILE 14 1HD1 ILE 14 -21.308 -12.430 -0.991 73 HD13 ILE 14 2HD1 ILE 14 -21.414 -12.908 -2.701 74 H ILE 15 H ILE 15 -22.292 -19.146 -2.727 75 HA ILE 15 HA ILE 15 -19.830 -20.283 -2.215 76 HB ILE 15 HB ILE 15 -20.542 -21.830 -4.146 77 HG13 ILE 15 2HG1 ILE 15 -22.370 -19.713 -4.585 78 HG21 ILE 15 1HG2 ILE 15 -20.804 -22.314 -1.746 79 HG22 ILE 15 2HG2 ILE 15 -22.370 -21.468 -1.756 80 HG23 ILE 15 3HG2 ILE 15 -22.153 -22.950 -2.717 81 HD11 ILE 15 3HD1 ILE 15 -22.654 -22.509 -5.721 82 HD12 ILE 15 1HD1 ILE 15 -22.892 -20.943 -6.533 83 HD13 ILE 15 2HD1 ILE 15 -21.248 -21.503 -6.143 84 H ASP 16 H ASP 16 -17.979 -20.723 -3.553 85 HA ASP 16 HA ASP 16 -16.364 -20.137 -4.875 86 HB3 ASP 16 2HB ASP 16 -16.988 -19.380 -7.241 87 H ARG 17 H ARG 17 -15.417 -18.126 -6.254 88 HA ARG 17 HA ARG 17 -14.767 -16.065 -6.219 89 HB3 ARG 17 2HB ARG 17 -16.675 -14.269 -5.973 90 HG3 ARG 17 2HG ARG 17 -17.173 -16.401 -8.087 91 HD3 ARG 17 2HD ARG 17 -16.974 -13.450 -8.630 92 HE ARG 17 HE ARG 17 -17.982 -15.725 -9.998 93 HH11 ARG 17 2HH2 ARG 17 -18.997 -12.441 -9.248 94 HH12 ARG 17 1HH2 ARG 17 -19.989 -12.288 -10.660 95 HH21 ARG 17 2HH1 ARG 17 -19.290 -15.524 -11.861 96 HH22 ARG 17 1HH1 ARG 17 -20.157 -14.053 -12.156 97 HA PRO 18 HA PRO 18 -14.418 -15.635 -1.789 98 HB3 PRO 18 2HB PRO 18 -12.326 -16.591 -1.672 99 HG3 PRO 18 2HG PRO 18 -11.278 -16.867 -3.708 100 HD3 PRO 18 2HD PRO 18 -13.106 -16.926 -5.103 101 H GLY 19 H GLY 19 -13.930 -13.428 -4.327 102 HA2 GLY 19 1HA GLY 19 -14.666 -11.250 -4.319 103 HA3 GLY 19 2HA GLY 19 -14.786 -11.273 -2.571 104 HA PRO 20 HA PRO 20 -10.857 -9.219 -3.902 105 HB3 PRO 20 2HB PRO 20 -11.545 -7.409 -5.148 106 HG3 PRO 20 2HG PRO 20 -13.821 -7.039 -5.132 107 HD3 PRO 20 2HD PRO 20 -14.575 -9.152 -4.633 108 HA PRO 21 HA PRO 21 -9.537 -8.484 0.067 109 HB3 PRO 21 2HB PRO 21 -7.318 -8.289 -0.515 110 HG3 PRO 21 2HG PRO 21 -6.948 -7.583 -2.680 111 HD3 PRO 21 2HD PRO 21 -8.920 -8.238 -3.665 112 H GLN 22 H GLN 22 -9.308 -7.044 1.986 113 HA GLN 22 HA GLN 22 -11.585 -5.469 2.080 114 HB3 GLN 22 2HB GLN 22 -10.101 -4.575 4.214 115 HG3 GLN 22 2HG GLN 22 -11.023 -7.323 4.675 116 HE21 GLN 22 1HE2 GLN 22 -9.871 -5.126 6.068 117 HE22 GLN 22 2HE2 GLN 22 -11.005 -4.557 7.247 118 H ILE 23 H ILE 23 -8.072 -4.602 1.843 119 HA ILE 23 HA ILE 23 -8.770 -2.229 0.396 120 HB ILE 23 HB ILE 23 -8.993 -1.767 2.946 121 HG13 ILE 23 2HG1 ILE 23 -8.925 0.405 2.378 122 HG21 ILE 23 1HG2 ILE 23 -6.861 -2.784 3.600 123 HG22 ILE 23 2HG2 ILE 23 -5.985 -1.591 2.613 124 HG23 ILE 23 3HG2 ILE 23 -6.925 -1.058 4.027 125 HD11 ILE 23 3HD1 ILE 23 -6.942 1.449 1.182 126 HD12 ILE 23 1HD1 ILE 23 -6.547 0.727 2.760 127 HD13 ILE 23 2HD1 ILE 23 -6.138 -0.138 1.259 128 H VAL 24 H VAL 24 -6.720 -1.074 -0.335 129 HA VAL 24 HA VAL 24 -4.378 -2.804 -0.204 130 HB VAL 24 HB VAL 24 -5.663 -1.861 -2.776 131 HG11 VAL 24 1HG1 VAL 24 -3.350 -1.791 -3.170 132 HG12 VAL 24 2HG1 VAL 24 -3.040 -3.234 -2.176 133 HG13 VAL 24 3HG1 VAL 24 -3.838 -3.399 -3.759 134 HG21 VAL 24 3HG2 VAL 24 -5.713 -4.448 -1.290 135 HG22 VAL 24 1HG2 VAL 24 -6.948 -3.694 -2.327 136 HG23 VAL 24 2HG2 VAL 24 -5.554 -4.521 -3.062 137 H LYS 25 H LYS 25 -2.672 -1.563 0.361 138 HA LYS 25 HA LYS 25 -2.703 1.223 -0.560 139 HB3 LYS 25 2HB LYS 25 -3.334 1.303 1.745 140 HG3 LYS 25 2HG LYS 25 -1.125 -0.736 2.053 141 HD3 LYS 25 2HD LYS 25 -0.799 1.436 3.556 142 HE3 LYS 25 2HE LYS 25 -2.176 0.533 5.784 143 HZ1 LYS 25 3HZ LYS 25 -3.688 2.406 4.320 144 HZ2 LYS 25 1HZ LYS 25 -2.827 2.622 5.690 145 HZ3 LYS 25 2HZ LYS 25 -2.097 2.764 4.236 146 H ILE 26 H ILE 26 -0.462 2.195 -0.608 147 HA ILE 26 HA ILE 26 1.386 0.121 -1.523 148 HB ILE 26 HB ILE 26 0.901 2.979 -2.226 149 HG13 ILE 26 2HG1 ILE 26 0.602 0.402 -3.458 150 HG21 ILE 26 1HG2 ILE 26 3.224 2.470 -3.562 151 HG22 ILE 26 2HG2 ILE 26 3.089 3.445 -2.079 152 HG23 ILE 26 3HG2 ILE 26 3.556 1.731 -1.978 153 HD11 ILE 26 3HD1 ILE 26 -0.775 1.620 -4.963 154 HD12 ILE 26 1HD1 ILE 26 -0.895 2.536 -3.441 155 HD13 ILE 26 2HD1 ILE 26 0.164 3.116 -4.749 156 H GLU 27 H GLU 27 2.560 -0.607 0.202 157 HA GLU 27 HA GLU 27 3.070 0.560 2.508 158 HB3 GLU 27 2HB GLU 27 5.550 -0.662 1.568 159 HG3 GLU 27 2HG GLU 27 4.356 -2.542 3.119 160 H ASP 28 H ASP 28 5.086 1.027 -0.475 161 HA ASP 28 HA ASP 28 5.482 3.687 -0.074 162 HB3 ASP 28 2HB ASP 28 8.106 2.419 0.615 163 H VAL 29 H VAL 29 7.888 4.249 -1.259 164 HA VAL 29 HA VAL 29 8.338 2.264 -3.347 165 HB VAL 29 HB VAL 29 6.666 3.655 -4.312 166 HG11 VAL 29 1HG1 VAL 29 8.136 6.214 -4.162 167 HG12 VAL 29 2HG1 VAL 29 6.398 5.872 -3.984 168 HG13 VAL 29 3HG1 VAL 29 7.499 5.621 -2.609 169 HG21 VAL 29 3HG2 VAL 29 7.714 3.958 -6.291 170 HG22 VAL 29 1HG2 VAL 29 8.968 5.006 -5.587 171 HG23 VAL 29 2HG2 VAL 29 9.107 3.236 -5.451 172 H TRP 30 H TRP 30 10.487 1.899 -3.489 173 HA TRP 30 HA TRP 30 12.278 4.165 -3.066 174 HB3 TRP 30 2HB TRP 30 12.007 3.001 -0.888 175 HD1 TRP 30 HD TRP 30 14.751 0.653 -2.179 176 HE1 TRP 30 1HE TRP 30 14.168 -1.875 -1.695 177 HE3 TRP 30 3HE TRP 30 9.986 1.504 -0.619 178 HZ2 TRP 30 2HZ TRP 30 11.833 -3.205 -0.735 179 HZ3 TRP 30 3HZ TRP 30 8.623 -0.464 0.074 180 HH2 TRP 30 HH TRP 30 9.473 -2.755 0.035 181 H GLY 31 H GLY 31 14.267 3.922 -4.247 182 HA2 GLY 31 1HA GLY 31 15.390 3.328 -6.114 183 HA3 GLY 31 2HA GLY 31 15.328 1.722 -5.417 184 H GLU 32 H GLU 32 12.547 3.699 -6.605 185 HA GLU 32 HA GLU 32 11.139 3.417 -8.237 186 HB3 GLU 32 2HB GLU 32 11.780 2.201 -10.306 187 HG3 GLU 32 2HG GLU 32 13.824 4.001 -8.966 188 H ASN 33 H ASN 33 11.857 1.247 -5.942 189 HA ASN 33 HA ASN 33 10.245 -0.900 -7.011 190 HB3 ASN 33 2HB ASN 33 10.969 -2.160 -5.027 191 HD21 ASN 33 1HD2 ASN 33 13.438 0.310 -5.041 192 HD22 ASN 33 2HD2 ASN 33 14.611 -0.514 -6.011 193 H VAL 34 H VAL 34 8.036 -0.895 -6.564 194 HA VAL 34 HA VAL 34 7.106 0.867 -4.432 195 HB VAL 34 HB VAL 34 6.115 -0.068 -7.027 196 HG11 VAL 34 1HG1 VAL 34 3.677 0.267 -6.181 197 HG12 VAL 34 2HG1 VAL 34 4.463 -1.314 -5.952 198 HG13 VAL 34 3HG1 VAL 34 4.345 -0.174 -4.591 199 HG21 VAL 34 3HG2 VAL 34 4.891 2.100 -6.902 200 HG22 VAL 34 1HG2 VAL 34 5.523 2.324 -5.254 201 HG23 VAL 34 2HG2 VAL 34 6.643 2.260 -6.636 202 H ALA 35 H ALA 35 6.183 0.109 -2.565 203 HA ALA 35 HA ALA 35 6.128 -2.803 -2.291 204 HB1 ALA 35 3HB ALA 35 5.914 -2.039 0.212 205 HB2 ALA 35 1HB ALA 35 7.487 -1.909 -0.610 206 HB3 ALA 35 2HB ALA 35 6.465 -0.465 -0.411 207 H LEU 36 H LEU 36 4.193 -3.801 -2.486 208 HA LEU 36 HA LEU 36 1.800 -2.170 -2.216 209 HB3 LEU 36 2HB LEU 36 0.738 -4.326 -3.091 210 HG LEU 36 HG LEU 36 2.678 -2.707 -4.737 211 HD11 LEU 36 1HD1 LEU 36 0.810 -4.767 -5.917 212 HD12 LEU 36 2HD1 LEU 36 2.083 -3.824 -6.729 213 HD13 LEU 36 3HD1 LEU 36 2.523 -5.102 -5.569 214 HD21 LEU 36 3HD2 LEU 36 -0.090 -2.688 -5.570 215 HD22 LEU 36 1HD2 LEU 36 0.056 -2.278 -3.844 216 HD23 LEU 36 2HD2 LEU 36 0.958 -1.343 -5.061 217 H THR 37 H THR 37 0.079 -2.688 -0.775 218 HA THR 37 HA THR 37 0.526 -4.808 1.148 219 HB THR 37 HB THR 37 0.085 -2.835 2.942 220 HG1 THR 37 1HG THR 37 0.976 -0.891 2.102 221 HG21 THR 37 3HG2 THR 37 2.384 -2.879 3.487 222 HG22 THR 37 1HG2 THR 37 2.230 -4.378 2.539 223 HG23 THR 37 2HG2 THR 37 2.884 -2.908 1.780 224 H TRP 38 H TRP 38 -1.336 -5.891 0.964 225 HA TRP 38 HA TRP 38 -3.785 -4.260 1.000 226 HB3 TRP 38 2HB TRP 38 -3.520 -5.236 -1.181 227 HD1 TRP 38 HD TRP 38 -4.545 -8.618 0.331 228 HE1 TRP 38 1HE TRP 38 -2.943 -10.556 -0.467 229 HE3 TRP 38 3HE TRP 38 -1.152 -5.587 -1.937 230 HZ2 TRP 38 2HZ TRP 38 -0.490 -10.604 -1.925 231 HZ3 TRP 38 3HZ TRP 38 0.818 -6.660 -3.025 232 HH2 TRP 38 HH TRP 38 1.178 -9.078 -3.043 233 H THR 39 H THR 39 -5.576 -5.229 2.224 234 HA THR 39 HA THR 39 -4.566 -6.825 4.444 235 HB THR 39 HB THR 39 -6.788 -6.126 5.439 236 HG1 THR 39 1HG THR 39 -7.542 -5.987 3.009 237 HG21 THR 39 3HG2 THR 39 -5.149 -3.894 4.129 238 HG22 THR 39 1HG2 THR 39 -6.406 -3.619 5.359 239 HG23 THR 39 2HG2 THR 39 -4.936 -4.532 5.777 240 HA PRO 40 HA PRO 40 -6.515 -10.462 3.277 241 HB3 PRO 40 2HB PRO 40 -5.602 -11.629 5.039 242 HG3 PRO 40 2HG PRO 40 -5.031 -10.333 6.860 243 HD3 PRO 40 2HD PRO 40 -4.752 -8.293 5.838 244 HA PRO 41 HA PRO 41 -10.730 -10.133 2.929 245 HB3 PRO 41 2HB PRO 41 -10.845 -11.677 1.224 246 HG3 PRO 41 2HG PRO 41 -9.105 -13.190 1.175 247 HD3 PRO 41 2HD PRO 41 -7.487 -11.988 2.282 248 H LYS 42 H LYS 42 -12.045 -9.441 4.482 249 HA LYS 42 HA LYS 42 -12.006 -10.843 6.965 250 HB3 LYS 42 2HB LYS 42 -14.099 -9.049 7.092 251 HG3 LYS 42 2HG LYS 42 -11.345 -7.931 7.411 252 HD3 LYS 42 2HD LYS 42 -12.775 -8.222 9.870 253 HE3 LYS 42 2HE LYS 42 -12.955 -5.700 8.228 254 HZ1 LYS 42 3HZ LYS 42 -11.728 -5.371 10.639 255 HZ2 LYS 42 1HZ LYS 42 -13.284 -5.023 10.284 256 HZ3 LYS 42 2HZ LYS 42 -12.898 -6.472 10.930 257 H ASP 43 H ASP 43 -13.488 -11.445 3.989 258 HA ASP 43 HA ASP 43 -15.337 -13.210 5.325 259 HB3 ASP 43 2HB ASP 43 -16.568 -12.048 2.931 260 H ASP 44 H ASP 44 -14.068 -14.995 4.538 261 HA ASP 44 HA ASP 44 -12.909 -15.142 2.078 262 HB3 ASP 44 2HB ASP 44 -12.281 -16.792 3.655 263 H GLY 45 H GLY 45 -16.236 -15.934 3.201 264 HA2 GLY 45 1HA GLY 45 -18.159 -16.057 2.001 265 HA3 GLY 45 2HA GLY 45 -17.264 -15.784 0.520 266 H ASN 46 H ASN 46 -15.838 -17.681 -0.263 267 HA ASN 46 HA ASN 46 -16.368 -20.234 0.721 268 HB3 ASN 46 2HB ASN 46 -17.518 -20.853 -1.666 269 HD21 ASN 46 1HD2 ASN 46 -19.811 -18.790 -0.333 270 HD22 ASN 46 2HD2 ASN 46 -20.578 -19.867 0.787 271 H ALA 47 H ALA 47 -15.292 -21.912 -0.768 272 HA ALA 47 HA ALA 47 -13.665 -22.590 -2.106 273 HB1 ALA 47 3HB ALA 47 -14.765 -20.226 -3.525 274 HB2 ALA 47 1HB ALA 47 -13.122 -20.705 -4.013 275 HB3 ALA 47 2HB ALA 47 -14.458 -21.876 -4.117 276 H ALA 48 H ALA 48 -12.038 -22.623 -0.530 277 HA ALA 48 HA ALA 48 -10.778 -20.572 0.664 278 HB1 ALA 48 3HB ALA 48 -8.793 -22.117 0.771 279 HB2 ALA 48 1HB ALA 48 -10.336 -22.890 1.210 280 HB3 ALA 48 2HB ALA 48 -9.620 -23.180 -0.393 281 H ILE 49 H ILE 49 -9.711 -18.784 -0.008 282 HA ILE 49 HA ILE 49 -9.325 -18.045 -2.561 283 HB ILE 49 HB ILE 49 -7.789 -17.383 -0.063 284 HG13 ILE 49 2HG1 ILE 49 -10.239 -16.449 -1.373 285 HG21 ILE 49 1HG2 ILE 49 -7.358 -15.320 -1.908 286 HG22 ILE 49 2HG2 ILE 49 -6.160 -16.469 -1.265 287 HG23 ILE 49 3HG2 ILE 49 -7.005 -16.824 -2.791 288 HD11 ILE 49 3HD1 ILE 49 -9.451 -15.369 1.260 289 HD12 ILE 49 1HD1 ILE 49 -10.898 -16.299 0.802 290 HD13 ILE 49 2HD1 ILE 49 -9.379 -17.146 1.183 291 H THR 50 H THR 50 -8.333 -19.012 -4.242 292 HA THR 50 HA THR 50 -6.374 -21.028 -3.836 293 HB THR 50 HB THR 50 -7.582 -19.561 -6.220 294 HG1 THR 50 1HG THR 50 -7.463 -22.306 -5.181 295 HG21 THR 50 3HG2 THR 50 -6.478 -21.391 -7.601 296 HG22 THR 50 1HG2 THR 50 -5.325 -20.188 -6.975 297 HG23 THR 50 2HG2 THR 50 -5.467 -21.777 -6.187 298 H GLY 51 H GLY 51 -6.233 -17.598 -4.957 299 HA2 GLY 51 1HA GLY 51 -3.659 -17.221 -3.848 300 HA3 GLY 51 2HA GLY 51 -3.520 -17.529 -5.567 301 H TYR 52 H TYR 52 -2.637 -15.131 -5.096 302 HA TYR 52 HA TYR 52 -4.900 -13.341 -5.673 303 HB3 TYR 52 2HB TYR 52 -3.606 -11.655 -4.344 304 HD1 TYR 52 2HD TYR 52 -2.475 -14.793 -2.728 305 HD2 TYR 52 1HD TYR 52 -5.488 -11.758 -2.855 306 HE1 TYR 52 2HE TYR 52 -3.440 -15.649 -0.537 307 HE2 TYR 52 1HE TYR 52 -6.443 -12.625 -0.664 308 HH TYR 52 HH TYR 52 -4.760 -15.012 1.216 309 H THR 53 H THR 53 -4.717 -12.178 -7.536 310 HA THR 53 HA THR 53 -2.138 -12.355 -8.928 311 HB THR 53 HB THR 53 -5.033 -11.933 -9.821 312 HG1 THR 53 1HG THR 53 -2.852 -13.868 -10.117 313 HG21 THR 53 3HG2 THR 53 -4.151 -11.965 -12.137 314 HG22 THR 53 1HG2 THR 53 -3.473 -10.568 -11.265 315 HG23 THR 53 2HG2 THR 53 -2.483 -12.026 -11.518 316 H ILE 54 H ILE 54 -0.872 -10.625 -9.255 317 HA ILE 54 HA ILE 54 -2.048 -8.034 -8.524 318 HB ILE 54 HB ILE 54 0.776 -9.063 -8.247 319 HG13 ILE 54 2HG1 ILE 54 -1.519 -9.052 -6.494 320 HG21 ILE 54 1HG2 ILE 54 -0.337 -6.289 -7.759 321 HG22 ILE 54 2HG2 ILE 54 1.253 -6.859 -7.200 322 HG23 ILE 54 3HG2 ILE 54 0.903 -6.766 -8.943 323 HD11 ILE 54 3HD1 ILE 54 1.336 -10.056 -6.490 324 HD12 ILE 54 1HD1 ILE 54 0.362 -10.143 -5.002 325 HD13 ILE 54 2HD1 ILE 54 -0.182 -10.987 -6.470 326 H GLN 55 H GLN 55 -1.613 -6.217 -9.858 327 HA GLN 55 HA GLN 55 -0.070 -6.679 -12.228 328 HB3 GLN 55 2HB GLN 55 -1.807 -6.316 -13.824 329 HG3 GLN 55 2HG GLN 55 -2.999 -8.054 -11.610 330 HE21 GLN 55 1HE2 GLN 55 -3.422 -10.159 -13.415 331 HE22 GLN 55 2HE2 GLN 55 -4.728 -9.756 -14.479 332 H LYS 56 H LYS 56 0.340 -4.632 -13.431 333 HA LYS 56 HA LYS 56 -0.078 -2.322 -11.666 334 HB3 LYS 56 2HB LYS 56 2.002 -1.419 -12.669 335 HG3 LYS 56 2HG LYS 56 2.123 -4.168 -11.352 336 HD3 LYS 56 2HD LYS 56 4.459 -3.741 -10.851 337 HE3 LYS 56 2HE LYS 56 4.189 -2.959 -13.780 338 HZ1 LYS 56 3HZ LYS 56 6.232 -3.784 -13.902 339 HZ2 LYS 56 1HZ LYS 56 6.304 -3.576 -12.284 340 HZ3 LYS 56 2HZ LYS 56 5.935 -5.041 -12.903 341 H ALA 57 H ALA 57 -0.332 -0.202 -12.787 342 HA ALA 57 HA ALA 57 -1.065 -0.280 -15.559 343 HB1 ALA 57 3HB ALA 57 -3.405 0.564 -15.067 344 HB2 ALA 57 1HB ALA 57 -3.131 -1.152 -14.681 345 HB3 ALA 57 2HB ALA 57 -3.157 0.060 -13.378 346 H ASP 58 H ASP 58 -0.114 1.540 -16.309 347 HA ASP 58 HA ASP 58 0.623 3.580 -14.524 348 HB3 ASP 58 2HB ASP 58 0.758 4.597 -17.169 349 H LYS 59 H LYS 59 0.109 6.029 -15.523 350 HA LYS 59 HA LYS 59 -2.788 6.201 -15.418 351 HB3 LYS 59 2HB LYS 59 -1.726 8.779 -15.508 352 HG3 LYS 59 2HG LYS 59 -1.870 8.074 -12.797 353 HD3 LYS 59 2HD LYS 59 -3.236 9.718 -14.557 354 HE3 LYS 59 2HE LYS 59 -5.263 7.754 -13.390 355 HZ1 LYS 59 3HZ LYS 59 -5.423 10.196 -14.987 356 HZ2 LYS 59 1HZ LYS 59 -6.621 9.088 -15.036 357 HZ3 LYS 59 2HZ LYS 59 -6.239 9.814 -13.624 358 H LYS 60 H LYS 60 -1.049 5.249 -17.815 359 HA LYS 60 HA LYS 60 -1.381 7.296 -19.764 360 HB3 LYS 60 2HB LYS 60 -0.962 5.098 -21.243 361 HG3 LYS 60 2HG LYS 60 0.728 7.042 -19.809 362 HD3 LYS 60 2HD LYS 60 1.573 4.257 -19.797 363 HE3 LYS 60 2HE LYS 60 3.951 5.412 -20.759 364 HZ1 LYS 60 3HZ LYS 60 2.028 3.649 -22.112 365 HZ2 LYS 60 1HZ LYS 60 3.583 3.855 -22.565 366 HZ3 LYS 60 2HZ LYS 60 3.238 3.172 -21.123 367 H SER 61 H SER 61 -2.993 4.081 -19.220 368 HA SER 61 HA SER 61 -5.468 5.299 -19.997 369 HB3 SER 61 2HB SER 61 -5.690 3.081 -21.568 370 HG SER 61 HG SER 61 -5.562 4.485 -23.282 371 H MET 62 H MET 62 -4.108 3.995 -17.619 372 HA MET 62 HA MET 62 -4.488 2.522 -16.058 373 HB3 MET 62 2HB MET 62 -6.996 1.947 -15.722 374 HG3 MET 62 2HG MET 62 -7.258 4.800 -16.149 375 HE1 MET 62 3HE MET 62 -6.308 2.390 -12.348 376 HE2 MET 62 1HE MET 62 -5.575 2.185 -13.956 377 HE3 MET 62 2HE MET 62 -5.151 3.597 -12.959 378 H GLU 63 H GLU 63 -3.416 1.324 -18.367 379 HA GLU 63 HA GLU 63 -4.990 -0.962 -19.007 380 HB3 GLU 63 2HB GLU 63 -2.981 -1.614 -20.362 381 HG3 GLU 63 2HG GLU 63 -3.273 1.314 -20.921 382 H TRP 64 H TRP 64 -4.830 -3.037 -18.163 383 HA TRP 64 HA TRP 64 -2.843 -3.361 -16.018 384 HB3 TRP 64 2HB TRP 64 -4.387 -4.864 -14.945 385 HD1 TRP 64 HD TRP 64 -7.125 -2.600 -16.343 386 HE1 TRP 64 1HE TRP 64 -7.738 -0.655 -14.668 387 HE3 TRP 64 3HE TRP 64 -3.255 -3.422 -13.149 388 HZ2 TRP 64 2HZ TRP 64 -6.562 0.300 -12.250 389 HZ3 TRP 64 3HZ TRP 64 -3.059 -1.938 -11.155 390 HH2 TRP 64 HH TRP 64 -4.634 -0.129 -10.682 391 H PHE 65 H PHE 65 -1.350 -4.990 -16.287 392 HA PHE 65 HA PHE 65 -1.819 -6.782 -18.565 393 HB3 PHE 65 2HB PHE 65 0.857 -6.904 -18.143 394 HD1 PHE 65 1HD PHE 65 -0.967 -3.689 -18.719 395 HD2 PHE 65 2HD PHE 65 1.494 -6.740 -20.345 396 HE1 PHE 65 1HE PHE 65 -0.867 -2.447 -20.898 397 HE2 PHE 65 2HE PHE 65 1.594 -5.498 -22.524 398 HZ PHE 65 HZ PHE 65 0.413 -3.366 -22.774 399 H THR 66 H THR 66 0.702 -7.021 -16.028 400 HA THR 66 HA THR 66 -0.512 -8.759 -14.282 401 HB THR 66 HB THR 66 0.328 -10.006 -16.883 402 HG1 THR 66 1HG THR 66 -1.814 -10.364 -16.383 403 HG21 THR 66 3HG2 THR 66 0.707 -11.341 -14.150 404 HG22 THR 66 1HG2 THR 66 0.708 -12.196 -15.711 405 HG23 THR 66 2HG2 THR 66 1.995 -11.025 -15.338 406 H VAL 67 H VAL 67 0.888 -9.424 -12.637 407 HA VAL 67 HA VAL 67 3.694 -8.686 -13.076 408 HB VAL 67 HB VAL 67 1.832 -7.901 -10.844 409 HG11 VAL 67 1HG1 VAL 67 4.696 -8.538 -10.682 410 HG12 VAL 67 2HG1 VAL 67 4.293 -6.905 -10.102 411 HG13 VAL 67 3HG1 VAL 67 3.492 -8.325 -9.389 412 HG21 VAL 67 3HG2 VAL 67 3.148 -6.556 -13.079 413 HG22 VAL 67 1HG2 VAL 67 1.805 -6.011 -12.045 414 HG23 VAL 67 2HG2 VAL 67 3.488 -5.769 -11.518 415 H ILE 68 H ILE 68 1.253 -10.508 -11.137 416 HA ILE 68 HA ILE 68 3.042 -12.759 -11.099 417 HB ILE 68 HB ILE 68 3.436 -11.050 -9.076 418 HG13 ILE 68 2HG1 ILE 68 4.586 -13.247 -9.707 419 HG21 ILE 68 1HG2 ILE 68 1.100 -11.197 -8.299 420 HG22 ILE 68 2HG2 ILE 68 1.316 -12.941 -8.020 421 HG23 ILE 68 3HG2 ILE 68 2.263 -11.765 -7.077 422 HD11 ILE 68 3HD1 ILE 68 4.847 -11.621 -7.524 423 HD12 ILE 68 1HD1 ILE 68 4.444 -13.160 -6.726 424 HD13 ILE 68 2HD1 ILE 68 5.859 -13.059 -7.802 425 H GLU 69 H GLU 69 1.929 -14.736 -10.650 426 HA GLU 69 HA GLU 69 -0.927 -14.419 -10.243 427 HB3 GLU 69 2HB GLU 69 -1.329 -16.163 -12.036 428 HG3 GLU 69 2HG GLU 69 -0.084 -14.235 -13.762 429 H HIS 70 H HIS 70 -1.875 -16.072 -9.000 430 HA HIS 70 HA HIS 70 -2.009 -17.841 -7.704 431 HB3 HIS 70 2HB HIS 70 -0.867 -19.849 -8.187 432 HD1 HIS 70 1HD HIS 70 -2.759 -20.520 -9.742 433 HD2 HIS 70 2HD HIS 70 -0.056 -17.850 -11.519 434 HE1 HIS 70 1HE HIS 70 -3.394 -20.397 -12.209 435 H TYR 71 H TYR 71 -1.028 -15.588 -6.575 436 HA TYR 71 HA TYR 71 1.469 -16.224 -5.242 437 HB3 TYR 71 2HB TYR 71 -0.432 -13.909 -4.656 438 HD1 TYR 71 2HD TYR 71 3.054 -15.016 -5.434 439 HD2 TYR 71 1HD TYR 71 0.565 -12.088 -3.554 440 HE1 TYR 71 2HE TYR 71 5.104 -13.932 -4.391 441 HE2 TYR 71 1HE TYR 71 2.622 -11.014 -2.517 442 HH TYR 71 HH TYR 71 5.167 -12.198 -1.930 443 H HIS 72 H HIS 72 1.325 -15.344 -2.739 444 HA HIS 72 HA HIS 72 -1.049 -16.512 -1.530 445 HB3 HIS 72 2HB HIS 72 0.289 -18.406 -1.433 446 HD1 HIS 72 1HD HIS 72 2.876 -16.735 0.708 447 HD2 HIS 72 2HD HIS 72 2.559 -18.330 -3.160 448 HE1 HIS 72 1HE HIS 72 5.260 -16.939 -0.179 449 H ARG 73 H ARG 73 2.169 -14.949 -0.886 450 HA ARG 73 HA ARG 73 1.632 -13.892 1.511 451 HB3 ARG 73 2HB ARG 73 2.994 -11.851 -0.022 452 HG3 ARG 73 2HG ARG 73 4.994 -13.341 1.103 453 HD3 ARG 73 2HD ARG 73 3.410 -11.942 3.175 454 HE ARG 73 HE ARG 73 5.656 -11.561 3.655 455 HH11 ARG 73 2HH2 ARG 73 5.210 -11.314 0.172 456 HH12 ARG 73 1HH2 ARG 73 6.859 -10.882 -0.136 457 HH21 ARG 73 2HH1 ARG 73 7.831 -10.991 3.247 458 HH22 ARG 73 1HH1 ARG 73 8.359 -10.697 1.624 459 H THR 74 H THR 74 1.391 -11.326 1.920 460 HA THR 74 HA THR 74 -0.975 -10.482 0.380 461 HB THR 74 HB THR 74 -1.427 -9.180 2.568 462 HG1 THR 74 1HG THR 74 -0.121 -10.347 4.342 463 HG21 THR 74 3HG2 THR 74 -2.669 -10.954 3.326 464 HG22 THR 74 1HG2 THR 74 -1.997 -11.862 1.951 465 HG23 THR 74 2HG2 THR 74 -1.218 -11.961 3.549 466 H SER 75 H SER 75 2.298 -10.006 0.532 467 HA SER 75 HA SER 75 1.910 -7.272 -0.372 468 HB3 SER 75 2HB SER 75 2.908 -6.623 1.584 469 HG SER 75 HG SER 75 3.276 -8.207 2.969 470 H ALA 76 H ALA 76 3.468 -6.589 -2.009 471 HA ALA 76 HA ALA 76 5.420 -8.531 -2.881 472 HB1 ALA 76 3HB ALA 76 3.189 -9.195 -3.916 473 HB2 ALA 76 1HB ALA 76 3.229 -7.645 -4.790 474 HB3 ALA 76 2HB ALA 76 4.501 -8.858 -5.071 475 H THR 77 H THR 77 7.200 -7.469 -3.653 476 HA THR 77 HA THR 77 6.999 -4.575 -3.834 477 HB THR 77 HB THR 77 9.408 -6.463 -3.981 478 HG1 THR 77 1HG THR 77 8.046 -6.555 -1.997 479 HG21 THR 77 3HG2 THR 77 9.794 -3.881 -2.684 480 HG22 THR 77 1HG2 THR 77 10.678 -4.567 -4.068 481 HG23 THR 77 2HG2 THR 77 9.188 -3.632 -4.339 482 H ILE 78 H ILE 78 7.274 -3.337 -5.643 483 HA ILE 78 HA ILE 78 7.237 -4.856 -8.141 484 HB ILE 78 HB ILE 78 6.432 -2.009 -7.535 485 HG13 ILE 78 2HG1 ILE 78 4.127 -2.871 -7.954 486 HG21 ILE 78 1HG2 ILE 78 7.201 -2.123 -9.798 487 HG22 ILE 78 2HG2 ILE 78 6.296 -3.627 -10.091 488 HG23 ILE 78 3HG2 ILE 78 5.421 -2.101 -9.820 489 HD11 ILE 78 3HD1 ILE 78 3.696 -5.254 -7.858 490 HD12 ILE 78 1HD1 ILE 78 4.894 -4.986 -9.146 491 HD13 ILE 78 2HD1 ILE 78 5.416 -5.607 -7.562 492 H THR 79 H THR 79 8.406 -3.756 -10.034 493 HA THR 79 HA THR 79 10.729 -2.215 -9.209 494 HB THR 79 HB THR 79 12.154 -3.975 -10.519 495 HG1 THR 79 1HG THR 79 9.638 -5.319 -9.824 496 HG21 THR 79 3HG2 THR 79 12.381 -3.876 -8.068 497 HG22 THR 79 1HG2 THR 79 10.822 -4.711 -7.859 498 HG23 THR 79 2HG2 THR 79 12.212 -5.581 -8.550 499 H GLU 80 H GLU 80 12.164 -1.968 -11.401 500 HA GLU 80 HA GLU 80 12.227 -0.840 -13.263 501 HB3 GLU 80 2HB GLU 80 10.380 -1.793 -15.028 502 HG3 GLU 80 2HG GLU 80 12.676 -3.541 -14.054 503 H LEU 81 H LEU 81 11.364 1.023 -11.885 504 HA LEU 81 HA LEU 81 8.863 1.961 -13.094 505 HB3 LEU 81 2HB LEU 81 8.285 3.010 -10.945 506 HG LEU 81 HG LEU 81 8.652 0.008 -10.823 507 HD11 LEU 81 1HD1 LEU 81 6.599 0.843 -9.056 508 HD12 LEU 81 2HD1 LEU 81 8.135 0.032 -8.668 509 HD13 LEU 81 3HD1 LEU 81 8.046 1.809 -8.681 510 HD21 LEU 81 3HD2 LEU 81 6.297 -0.102 -11.355 511 HD22 LEU 81 1HD2 LEU 81 6.173 1.674 -11.331 512 HD23 LEU 81 2HD2 LEU 81 7.144 0.867 -12.586 513 H VAL 82 H VAL 82 8.954 4.007 -13.937 514 HA VAL 82 HA VAL 82 11.555 5.265 -13.881 515 HB VAL 82 HB VAL 82 8.989 5.825 -15.377 516 HG11 VAL 82 1HG1 VAL 82 11.371 7.073 -16.482 517 HG12 VAL 82 2HG1 VAL 82 9.787 7.785 -16.093 518 HG13 VAL 82 3HG1 VAL 82 11.038 7.654 -14.833 519 HG21 VAL 82 3HG2 VAL 82 9.907 4.725 -17.195 520 HG22 VAL 82 1HG2 VAL 82 11.578 4.956 -16.631 521 HG23 VAL 82 2HG2 VAL 82 10.532 3.749 -15.845 522 H ILE 83 H ILE 83 12.100 7.073 -12.728 523 HA ILE 83 HA ILE 83 10.227 7.947 -10.747 524 HB ILE 83 HB ILE 83 13.065 8.699 -11.427 525 HG13 ILE 83 2HG1 ILE 83 12.584 6.430 -10.449 526 HG21 ILE 83 1HG2 ILE 83 12.112 10.691 -10.535 527 HG22 ILE 83 2HG2 ILE 83 11.262 9.790 -9.256 528 HG23 ILE 83 3HG2 ILE 83 13.038 9.914 -9.227 529 HD11 ILE 83 3HD1 ILE 83 14.020 7.599 -8.209 530 HD12 ILE 83 1HD1 ILE 83 14.650 6.603 -9.543 531 HD13 ILE 83 2HD1 ILE 83 14.537 8.370 -9.728 532 H GLY 84 H GLY 84 8.606 9.327 -11.217 533 HA2 GLY 84 1HA GLY 84 8.543 11.833 -11.774 534 HA3 GLY 84 2HA GLY 84 9.053 11.297 -13.362 535 H ASN 85 H ASN 85 7.552 8.723 -13.270 536 HA ASN 85 HA ASN 85 4.947 9.890 -13.782 537 HB3 ASN 85 2HB ASN 85 4.628 7.508 -14.891 538 HD21 ASN 85 1HD2 ASN 85 7.439 7.882 -16.461 539 HD22 ASN 85 2HD2 ASN 85 7.039 9.093 -17.632 540 H GLU 86 H GLU 86 2.998 8.541 -13.101 541 HA GLU 86 HA GLU 86 3.616 7.186 -10.603 542 HB3 GLU 86 2HB GLU 86 2.092 9.161 -10.496 543 HG3 GLU 86 2HG GLU 86 -0.352 8.153 -11.399 544 H TYR 87 H TYR 87 1.939 5.357 -10.042 545 HA TYR 87 HA TYR 87 0.976 3.950 -12.384 546 HB3 TYR 87 2HB TYR 87 2.320 1.915 -11.643 547 HD1 TYR 87 2HD TYR 87 4.529 4.845 -11.001 548 HD2 TYR 87 1HD TYR 87 3.244 1.902 -13.827 549 HE1 TYR 87 2HE TYR 87 6.405 5.528 -12.575 550 HE2 TYR 87 1HE TYR 87 5.124 2.595 -15.393 551 HH TYR 87 HH TYR 87 6.518 5.170 -15.501 552 H TYR 88 H TYR 88 -0.637 2.393 -11.887 553 HA TYR 88 HA TYR 88 -1.524 2.519 -9.087 554 HB3 TYR 88 2HB TYR 88 -3.697 1.704 -10.490 555 HD1 TYR 88 1HD TYR 88 -3.679 3.451 -8.375 556 HD2 TYR 88 2HD TYR 88 -3.324 4.489 -12.510 557 HE1 TYR 88 1HE TYR 88 -4.534 5.791 -7.869 558 HE2 TYR 88 2HE TYR 88 -4.179 6.825 -11.990 559 HH TYR 88 HH TYR 88 -4.079 8.248 -9.419 560 H PHE 89 H PHE 89 -2.541 0.567 -8.187 561 HA PHE 89 HA PHE 89 -1.807 -1.881 -9.603 562 HB3 PHE 89 2HB PHE 89 -0.820 -2.727 -7.484 563 HD1 PHE 89 1HD PHE 89 -0.202 0.840 -6.898 564 HD2 PHE 89 2HD PHE 89 1.165 -2.667 -8.859 565 HE1 PHE 89 1HE PHE 89 2.000 1.953 -7.354 566 HE2 PHE 89 2HE PHE 89 3.367 -1.553 -9.314 567 HZ PHE 89 HZ PHE 89 3.759 0.744 -8.556 568 H ARG 90 H ARG 90 -2.983 -3.809 -8.808 569 HA ARG 90 HA ARG 90 -5.149 -3.269 -7.020 570 HB3 ARG 90 2HB ARG 90 -6.081 -2.591 -9.236 571 HG3 ARG 90 2HG ARG 90 -5.486 -5.485 -10.015 572 HD3 ARG 90 2HD ARG 90 -6.748 -3.220 -11.635 573 HE ARG 90 HE ARG 90 -5.627 -5.770 -12.413 574 HH11 ARG 90 2HH2 ARG 90 -8.331 -3.613 -13.055 575 HH12 ARG 90 1HH2 ARG 90 -8.573 -4.188 -14.671 576 HH21 ARG 90 2HH1 ARG 90 -5.945 -6.530 -14.545 577 HH22 ARG 90 1HH1 ARG 90 -7.207 -5.858 -15.524 578 H VAL 91 H VAL 91 -5.681 -5.147 -5.863 579 HA VAL 91 HA VAL 91 -4.344 -7.592 -6.784 580 HB VAL 91 HB VAL 91 -5.147 -6.638 -4.030 581 HG11 VAL 91 1HG1 VAL 91 -5.487 -9.058 -4.213 582 HG12 VAL 91 2HG1 VAL 91 -3.834 -9.254 -4.845 583 HG13 VAL 91 3HG1 VAL 91 -4.089 -8.689 -3.176 584 HG21 VAL 91 3HG2 VAL 91 -2.372 -7.351 -4.330 585 HG22 VAL 91 1HG2 VAL 91 -2.827 -6.176 -5.587 586 HG23 VAL 91 2HG2 VAL 91 -3.093 -5.790 -3.870 587 H PHE 92 H PHE 92 -5.502 -9.641 -6.504 588 HA PHE 92 HA PHE 92 -8.404 -9.271 -6.330 589 HB3 PHE 92 2HB PHE 92 -8.338 -11.173 -8.164 590 HD1 PHE 92 1HD PHE 92 -10.080 -9.542 -8.800 591 HD2 PHE 92 2HD PHE 92 -5.965 -8.764 -9.485 592 HE1 PHE 92 1HE PHE 92 -10.692 -7.720 -10.415 593 HE2 PHE 92 2HE PHE 92 -6.577 -6.943 -11.100 594 HZ PHE 92 HZ PHE 92 -8.934 -6.443 -11.546 595 H SER 93 H SER 93 -9.243 -11.882 -6.593 596 HA SER 93 HA SER 93 -7.630 -13.381 -4.708 597 HB3 SER 93 2HB SER 93 -9.623 -13.951 -3.357 598 HG SER 93 HG SER 93 -9.480 -11.079 -3.701 599 H GLU 94 H GLU 94 -7.059 -14.890 -6.334 600 HA GLU 94 HA GLU 94 -8.897 -15.859 -8.185 601 HB3 GLU 94 2HB GLU 94 -7.017 -17.817 -8.159 602 HG3 GLU 94 2HG GLU 94 -5.596 -16.222 -9.585 603 H ASN 95 H ASN 95 -9.549 -18.246 -8.377 604 HA ASN 95 HA ASN 95 -9.566 -19.865 -6.135 605 HB3 ASN 95 2HB ASN 95 -11.192 -18.058 -5.333 606 HD21 ASN 95 1HD2 ASN 95 -11.667 -16.639 -7.099 607 HD22 ASN 95 2HD2 ASN 95 -13.149 -16.784 -7.984 608 H MET 96 H MET 96 -12.266 -21.038 -6.662 609 HA MET 96 HA MET 96 -11.614 -22.259 -9.185 610 HB3 MET 96 2HB MET 96 -12.212 -23.665 -7.208 611 HG3 MET 96 2HG MET 96 -14.707 -21.943 -7.285 612 HE1 MET 96 3HE MET 96 -14.060 -23.961 -4.411 613 HE2 MET 96 1HE MET 96 -15.121 -25.388 -4.468 614 HE3 MET 96 2HE MET 96 -13.557 -25.408 -5.318 615 H CYS 97 H CYS 97 -12.568 -19.472 -9.208 616 HA CYS 97 HA CYS 97 -14.951 -19.927 -10.827 617 HB3 CYS 97 2HB CYS 97 -14.783 -17.481 -9.073 618 HG CYS 97 HG CYS 97 -17.617 -18.342 -9.139 619 H GLY 98 H GLY 98 -12.566 -17.410 -9.695 620 HA2 GLY 98 1HA GLY 98 -10.930 -16.928 -11.611 621 HA3 GLY 98 2HA GLY 98 -12.376 -16.444 -12.473 622 H LEU 99 H LEU 99 -10.033 -15.591 -9.998 623 HA LEU 99 HA LEU 99 -10.005 -13.869 -8.516 624 HB3 LEU 99 2HB LEU 99 -9.516 -11.826 -9.689 625 HG LEU 99 HG LEU 99 -8.188 -14.180 -10.263 626 HD11 LEU 99 1HD1 LEU 99 -7.785 -14.388 -12.556 627 HD12 LEU 99 2HD1 LEU 99 -9.547 -14.167 -12.441 628 HD13 LEU 99 3HD1 LEU 99 -8.510 -12.804 -12.925 629 HD21 LEU 99 3HD2 LEU 99 -6.976 -12.306 -9.572 630 HD22 LEU 99 1HD2 LEU 99 -6.438 -12.581 -11.246 631 HD23 LEU 99 2HD2 LEU 99 -7.610 -11.290 -10.889 632 H SER 100 H SER 100 -11.326 -11.184 -9.481 633 HA SER 100 HA SER 100 -14.048 -11.883 -8.749 634 HB3 SER 100 2HB SER 100 -13.515 -11.106 -6.653 635 HG SER 100 HG SER 100 -11.760 -9.016 -7.278 636 H GLU 101 H GLU 101 -15.650 -10.502 -9.685 637 HA GLU 101 HA GLU 101 -15.099 -9.437 -12.097 638 HB3 GLU 101 2HB GLU 101 -17.257 -7.916 -10.930 639 HG3 GLU 101 2HG GLU 101 -18.004 -10.401 -12.310 640 H ASP 102 H ASP 102 -14.661 -7.978 -8.897 641 HA ASP 102 HA ASP 102 -13.590 -5.642 -10.261 642 HB3 ASP 102 2HB ASP 102 -15.417 -4.577 -9.330 643 H ALA 103 H ALA 103 -11.823 -4.567 -8.963 644 HA ALA 103 HA ALA 103 -10.742 -6.331 -6.876 645 HB1 ALA 103 3HB ALA 103 -9.038 -6.774 -8.278 646 HB2 ALA 103 1HB ALA 103 -9.628 -5.587 -9.466 647 HB3 ALA 103 2HB ALA 103 -8.571 -5.063 -8.133 648 H THR 104 H THR 104 -9.436 -5.218 -5.248 649 HA THR 104 HA THR 104 -10.460 -2.545 -4.782 650 HB THR 104 HB THR 104 -8.725 -4.443 -3.115 651 HG1 THR 104 1HG THR 104 -11.542 -3.645 -2.981 652 HG21 THR 104 3HG2 THR 104 -9.660 -1.674 -2.697 653 HG22 THR 104 1HG2 THR 104 -10.297 -2.790 -1.465 654 HG23 THR 104 2HG2 THR 104 -8.541 -2.642 -1.708 655 H MET 105 H MET 105 -9.498 -1.044 -6.076 656 HA MET 105 HA MET 105 -6.716 -1.205 -6.594 657 HB3 MET 105 2HB MET 105 -8.383 1.304 -6.993 658 HG3 MET 105 2HG MET 105 -6.174 -0.162 -8.467 659 HE1 MET 105 3HE MET 105 -5.879 2.917 -10.099 660 HE2 MET 105 1HE MET 105 -7.411 3.351 -10.898 661 HE3 MET 105 2HE MET 105 -7.292 3.386 -9.121 662 H THR 106 H THR 106 -5.212 0.714 -6.151 663 HA THR 106 HA THR 106 -5.291 1.271 -3.343 664 HB THR 106 HB THR 106 -3.104 2.429 -3.942 665 HG1 THR 106 1HG THR 106 -3.297 3.076 -6.072 666 HG21 THR 106 3HG2 THR 106 -2.507 0.204 -3.592 667 HG22 THR 106 1HG2 THR 106 -3.753 -0.407 -4.707 668 HG23 THR 106 2HG2 THR 106 -2.234 0.262 -5.351 669 H LYS 107 H LYS 107 -6.191 2.935 -2.308 670 HA LYS 107 HA LYS 107 -7.884 4.702 -3.392 671 HB3 LYS 107 2HB LYS 107 -6.504 6.071 -1.293 672 HG3 LYS 107 2HG LYS 107 -8.659 4.754 -0.150 673 HD3 LYS 107 2HD LYS 107 -8.552 7.272 -1.866 674 HE3 LYS 107 2HE LYS 107 -10.847 5.972 -0.406 675 HZ1 LYS 107 3HZ LYS 107 -11.031 7.817 0.804 676 HZ2 LYS 107 1HZ LYS 107 -10.027 8.703 -0.130 677 HZ3 LYS 107 2HZ LYS 107 -11.588 8.506 -0.568 678 H GLU 108 H GLU 108 -4.333 4.835 -3.470 679 HA GLU 108 HA GLU 108 -4.591 6.989 -5.370 680 HB3 GLU 108 2HB GLU 108 -2.541 8.104 -4.191 681 HG3 GLU 108 2HG GLU 108 -5.361 8.143 -3.026 682 H SER 109 H SER 109 -2.340 7.395 -6.462 683 HA SER 109 HA SER 109 -1.303 4.780 -7.036 684 HB3 SER 109 2HB SER 109 -1.647 5.943 -9.028 685 HG SER 109 HG SER 109 -0.609 8.282 -7.670 686 H ALA 110 H ALA 110 1.260 4.804 -7.517 687 HA ALA 110 HA ALA 110 2.484 5.944 -5.104 688 HB1 ALA 110 3HB ALA 110 2.557 3.536 -5.111 689 HB2 ALA 110 1HB ALA 110 3.136 3.501 -6.794 690 HB3 ALA 110 2HB ALA 110 4.194 4.118 -5.502 691 H VAL 111 H VAL 111 3.656 7.755 -5.471 692 HA VAL 111 HA VAL 111 4.494 8.377 -8.144 693 HB VAL 111 HB VAL 111 4.597 9.728 -5.461 694 HG11 VAL 111 1HG1 VAL 111 6.233 10.336 -7.883 695 HG12 VAL 111 2HG1 VAL 111 5.494 11.708 -7.022 696 HG13 VAL 111 3HG1 VAL 111 6.589 10.602 -6.159 697 HG21 VAL 111 3HG2 VAL 111 2.904 9.807 -7.835 698 HG22 VAL 111 1HG2 VAL 111 2.609 10.442 -6.199 699 HG23 VAL 111 2HG2 VAL 111 3.501 11.423 -7.386 700 H ILE 112 H ILE 112 6.240 7.374 -9.007 701 HA ILE 112 HA ILE 112 8.172 6.064 -7.497 702 HB ILE 112 HB ILE 112 8.394 7.138 -10.311 703 HG13 ILE 112 2HG1 ILE 112 7.580 4.860 -10.965 704 HG21 ILE 112 1HG2 ILE 112 10.287 5.973 -10.561 705 HG22 ILE 112 2HG2 ILE 112 10.364 6.003 -8.783 706 HG23 ILE 112 3HG2 ILE 112 9.681 4.589 -9.620 707 HD11 ILE 112 3HD1 ILE 112 6.229 4.592 -8.313 708 HD12 ILE 112 1HD1 ILE 112 6.799 3.332 -9.434 709 HD13 ILE 112 2HD1 ILE 112 7.954 4.153 -8.357 710 H ALA 113 H ALA 113 10.202 6.627 -6.713 711 HA ALA 113 HA ALA 113 11.536 8.983 -7.388 712 HB1 ALA 113 3HB ALA 113 10.778 9.525 -4.646 713 HB2 ALA 113 1HB ALA 113 10.629 10.568 -6.080 714 HB3 ALA 113 2HB ALA 113 9.326 9.428 -5.670 715 H ARG 114 H ARG 114 13.553 9.189 -6.162 716 HA ARG 114 HA ARG 114 14.227 6.635 -5.014 717 HB3 ARG 114 2HB ARG 114 16.582 8.075 -5.037 718 HG3 ARG 114 2HG ARG 114 15.180 6.375 -7.106 719 HD3 ARG 114 2HD ARG 114 16.692 8.255 -8.183 720 HE ARG 114 HE ARG 114 18.663 6.754 -6.610 721 HH11 ARG 114 2HH2 ARG 114 18.149 8.744 -9.466 722 HH12 ARG 114 1HH2 ARG 114 19.806 9.238 -9.576 723 HH21 ARG 114 2HH1 ARG 114 20.848 7.406 -6.755 724 HH22 ARG 114 1HH1 ARG 114 21.351 8.473 -8.024 725 H ASP 115 H ASP 115 12.676 7.573 -3.147 726 HA ASP 115 HA ASP 115 14.336 9.158 -1.356 727 HB3 ASP 115 2HB ASP 115 11.709 8.900 -0.290 728 H GLY 116 H GLY 116 15.444 7.719 -0.000 729 HA2 GLY 116 1HA GLY 116 14.384 5.122 0.623 730 HA3 GLY 116 2HA GLY 116 15.880 5.837 1.191 731 H LYS 117 H LYS 117 12.940 4.687 2.224 732 HA LYS 117 HA LYS 117 12.132 6.674 4.046 733 HB3 LYS 117 2HB LYS 117 11.376 4.063 4.941 734 HG3 LYS 117 2HG LYS 117 9.161 4.911 3.812 735 HD3 LYS 117 2HD LYS 117 10.574 6.566 5.958 736 HE3 LYS 117 2HE LYS 117 7.605 6.194 5.937 737 HZ1 LYS 117 3HZ LYS 117 9.545 7.917 7.012 738 HZ2 LYS 117 1HZ LYS 117 8.393 8.788 6.250 739 HZ3 LYS 117 2HZ LYS 117 7.977 7.746 7.436 740 H ILE 118 H ILE 118 11.927 5.275 6.517 741 HA ILE 118 HA ILE 118 14.638 4.586 7.257 742 HB ILE 118 HB ILE 118 13.222 6.952 8.492 743 HG13 ILE 118 2HG1 ILE 118 14.087 7.506 6.282 744 HG21 ILE 118 1HG2 ILE 118 14.662 5.403 9.967 745 HG22 ILE 118 2HG2 ILE 118 16.044 6.067 9.063 746 HG23 ILE 118 3HG2 ILE 118 14.989 7.153 9.998 747 HD11 ILE 118 3HD1 ILE 118 15.281 9.422 6.915 748 HD12 ILE 118 1HD1 ILE 118 14.473 8.992 8.442 749 HD13 ILE 118 2HD1 ILE 118 16.181 8.562 8.188 750 H TYR 119 H TYR 119 14.181 2.593 8.068 751 HA TYR 119 HA TYR 119 11.821 2.367 9.794 752 HB3 TYR 119 2HB TYR 119 12.049 -0.024 9.222 753 HD1 TYR 119 2HD TYR 119 10.331 1.699 7.875 754 HD2 TYR 119 1HD TYR 119 13.972 0.022 6.380 755 HE1 TYR 119 2HE TYR 119 9.494 1.988 5.492 756 HE2 TYR 119 1HE TYR 119 13.123 0.316 4.002 757 HH TYR 119 HH TYR 119 9.872 1.030 3.326 758 H LYS 120 H LYS 120 12.199 2.574 11.941 759 HA LYS 120 HA LYS 120 13.379 2.715 13.837 760 HB3 LYS 120 2HB LYS 120 14.433 0.269 14.273 761 HG3 LYS 120 2HG LYS 120 11.421 0.595 14.055 762 HD3 LYS 120 2HD LYS 120 13.126 -0.476 16.340 763 HE3 LYS 120 2HE LYS 120 10.251 -0.161 15.783 764 HZ1 LYS 120 3HZ LYS 120 10.752 -2.671 17.045 765 HZ2 LYS 120 1HZ LYS 120 9.588 -2.256 15.977 766 HZ3 LYS 120 2HZ LYS 120 11.075 -2.672 15.445 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -13.388 -17.931 34.647 2 HA2 GLY 1 1HA GLY 1 -12.078 -19.741 33.199 3 HA3 GLY 1 2HA GLY 1 -13.531 -20.640 33.591 4 H SER 2 H SER 2 -13.356 -20.349 30.994 5 HA SER 2 HA SER 2 -15.567 -18.901 30.284 6 HB3 SER 2 2HB SER 2 -12.946 -17.467 29.685 7 HG SER 2 HG SER 2 -14.305 -17.421 27.795 8 H SER 3 H SER 3 -16.249 -19.643 28.251 9 HA SER 3 HA SER 3 -14.501 -20.315 26.214 10 HB3 SER 3 2HB SER 3 -13.868 -22.201 27.703 11 HG SER 3 HG SER 3 -15.393 -23.222 28.787 12 H GLY 4 H GLY 4 -15.763 -21.647 24.437 13 HA2 GLY 4 1HA GLY 4 -18.654 -21.570 24.742 14 HA3 GLY 4 2HA GLY 4 -17.979 -20.421 23.605 15 H SER 5 H SER 5 -19.692 -22.282 22.569 16 HA SER 5 HA SER 5 -17.851 -23.877 21.010 17 HB3 SER 5 2HB SER 5 -19.551 -25.807 21.131 18 HG SER 5 HG SER 5 -17.523 -25.838 22.338 19 H SER 6 H SER 6 -19.060 -24.804 18.996 20 HA SER 6 HA SER 6 -21.412 -23.269 18.350 21 HB3 SER 6 2HB SER 6 -19.511 -21.852 17.596 22 HG SER 6 HG SER 6 -18.573 -23.020 15.469 23 H GLY 7 H GLY 7 -22.799 -24.412 16.956 24 HA2 GLY 7 1HA GLY 7 -21.752 -26.993 15.955 25 HA3 GLY 7 2HA GLY 7 -23.357 -26.773 16.623 26 H ALA 8 H ALA 8 -24.936 -25.419 15.454 27 HA ALA 8 HA ALA 8 -25.989 -24.742 13.630 28 HB1 ALA 8 3HB ALA 8 -24.853 -23.341 12.125 29 HB2 ALA 8 1HB ALA 8 -23.853 -23.243 13.593 30 HB3 ALA 8 2HB ALA 8 -23.345 -24.280 12.237 31 H SER 9 H SER 9 -26.777 -25.560 11.603 32 HA SER 9 HA SER 9 -25.583 -28.141 10.985 33 HB3 SER 9 2HB SER 9 -28.149 -27.842 9.736 34 HG SER 9 HG SER 9 -28.615 -29.663 10.922 35 H ILE 10 H ILE 10 -27.038 -25.156 9.542 36 HA ILE 10 HA ILE 10 -25.395 -25.656 7.172 37 HB ILE 10 HB ILE 10 -27.145 -25.138 5.689 38 HG13 ILE 10 2HG1 ILE 10 -29.307 -24.345 6.259 39 HG21 ILE 10 1HG2 ILE 10 -28.945 -26.851 6.398 40 HG22 ILE 10 2HG2 ILE 10 -27.271 -27.411 6.165 41 HG23 ILE 10 3HG2 ILE 10 -27.897 -27.138 7.808 42 HD11 ILE 10 3HD1 ILE 10 -30.299 -24.904 8.213 43 HD12 ILE 10 1HD1 ILE 10 -28.773 -25.619 8.787 44 HD13 ILE 10 2HD1 ILE 10 -29.120 -23.901 9.091 45 H ASP 11 H ASP 11 -24.373 -23.840 6.350 46 HA ASP 11 HA ASP 11 -25.215 -21.267 6.743 47 HB3 ASP 11 2HB ASP 11 -22.820 -21.513 8.489 48 H ILE 12 H ILE 12 -23.637 -19.758 5.750 49 HA ILE 12 HA ILE 12 -22.238 -19.406 4.032 50 HB ILE 12 HB ILE 12 -20.541 -20.478 6.269 51 HG13 ILE 12 2HG1 ILE 12 -21.841 -18.356 6.560 52 HG21 ILE 12 1HG2 ILE 12 -18.915 -20.804 4.753 53 HG22 ILE 12 2HG2 ILE 12 -19.725 -19.823 3.509 54 HG23 ILE 12 3HG2 ILE 12 -18.780 -19.030 4.791 55 HD11 ILE 12 3HD1 ILE 12 -18.950 -17.551 6.432 56 HD12 ILE 12 1HD1 ILE 12 -20.123 -17.364 7.757 57 HD13 ILE 12 2HD1 ILE 12 -19.370 -18.947 7.453 58 H GLN 13 H GLN 13 -23.142 -20.834 2.448 59 HA GLN 13 HA GLN 13 -21.467 -23.192 2.077 60 HB3 GLN 13 2HB GLN 13 -23.850 -23.797 0.767 61 HG3 GLN 13 2HG GLN 13 -22.644 -24.528 3.442 62 HE21 GLN 13 1HE2 GLN 13 -23.995 -27.183 2.656 63 HE22 GLN 13 2HE2 GLN 13 -25.557 -27.115 3.402 64 H ILE 14 H ILE 14 -21.111 -23.817 -0.205 65 HA ILE 14 HA ILE 14 -20.250 -23.104 -2.153 66 HB ILE 14 HB ILE 14 -23.205 -22.567 -2.341 67 HG13 ILE 14 2HG1 ILE 14 -22.178 -24.907 -1.926 68 HG21 ILE 14 1HG2 ILE 14 -22.248 -23.004 -4.929 69 HG22 ILE 14 2HG2 ILE 14 -22.885 -21.485 -4.254 70 HG23 ILE 14 3HG2 ILE 14 -21.135 -21.807 -4.223 71 HD11 ILE 14 3HD1 ILE 14 -24.420 -25.046 -2.502 72 HD12 ILE 14 1HD1 ILE 14 -24.212 -24.059 -3.969 73 HD13 ILE 14 2HD1 ILE 14 -23.710 -25.766 -3.967 74 H ILE 15 H ILE 15 -18.793 -21.451 -1.523 75 HA ILE 15 HA ILE 15 -19.892 -18.741 -1.610 76 HB ILE 15 HB ILE 15 -17.187 -19.684 -0.657 77 HG13 ILE 15 2HG1 ILE 15 -19.108 -20.637 0.647 78 HG21 ILE 15 1HG2 ILE 15 -17.952 -17.157 -1.390 79 HG22 ILE 15 2HG2 ILE 15 -18.299 -17.160 0.356 80 HG23 ILE 15 3HG2 ILE 15 -16.663 -17.550 -0.227 81 HD11 ILE 15 3HD1 ILE 15 -18.123 -18.906 2.716 82 HD12 ILE 15 1HD1 ILE 15 -17.619 -20.572 2.347 83 HD13 ILE 15 2HD1 ILE 15 -16.790 -19.200 1.574 84 H ASP 16 H ASP 16 -20.146 -18.420 -3.840 85 HA ASP 16 HA ASP 16 -17.937 -19.043 -5.541 86 HB3 ASP 16 2HB ASP 16 -19.454 -17.900 -7.283 87 H ARG 17 H ARG 17 -16.381 -17.530 -6.236 88 HA ARG 17 HA ARG 17 -15.239 -15.700 -6.351 89 HB3 ARG 17 2HB ARG 17 -16.885 -13.486 -6.395 90 HG3 ARG 17 2HG ARG 17 -16.399 -15.553 -8.587 91 HD3 ARG 17 2HD ARG 17 -17.162 -12.642 -9.025 92 HE ARG 17 HE ARG 17 -16.492 -13.490 -11.116 93 HH11 ARG 17 2HH2 ARG 17 -18.638 -15.786 -9.532 94 HH12 ARG 17 1HH2 ARG 17 -18.810 -16.787 -10.934 95 HH21 ARG 17 2HH1 ARG 17 -16.720 -14.811 -12.967 96 HH22 ARG 17 1HH1 ARG 17 -17.713 -16.230 -12.901 97 HA PRO 18 HA PRO 18 -15.213 -14.635 -2.047 98 HB3 PRO 18 2HB PRO 18 -13.233 -15.740 -1.647 99 HG3 PRO 18 2HG PRO 18 -12.058 -16.328 -3.542 100 HD3 PRO 18 2HD PRO 18 -13.766 -16.392 -5.079 101 H GLY 19 H GLY 19 -14.436 -12.777 -4.760 102 HA2 GLY 19 1HA GLY 19 -14.967 -10.561 -5.027 103 HA3 GLY 19 2HA GLY 19 -15.166 -10.376 -3.297 104 HA PRO 20 HA PRO 20 -11.116 -8.608 -4.449 105 HB3 PRO 20 2HB PRO 20 -11.763 -6.586 -5.342 106 HG3 PRO 20 2HG PRO 20 -14.002 -6.094 -5.087 107 HD3 PRO 20 2HD PRO 20 -14.863 -8.214 -4.861 108 HA PRO 21 HA PRO 21 -9.473 -8.590 -0.533 109 HB3 PRO 21 2HB PRO 21 -7.292 -8.433 -1.255 110 HG3 PRO 21 2HG PRO 21 -7.028 -7.414 -3.306 111 HD3 PRO 21 2HD PRO 21 -9.103 -7.790 -4.220 112 H GLN 22 H GLN 22 -9.290 -7.667 1.588 113 HA GLN 22 HA GLN 22 -11.346 -5.998 2.131 114 HB3 GLN 22 2HB GLN 22 -9.645 -5.420 4.200 115 HG3 GLN 22 2HG GLN 22 -10.558 -8.239 4.244 116 HE21 GLN 22 1HE2 GLN 22 -9.231 -7.527 6.162 117 HE22 GLN 22 2HE2 GLN 22 -10.074 -6.839 7.511 118 H ILE 23 H ILE 23 -7.839 -5.089 1.804 119 HA ILE 23 HA ILE 23 -8.621 -2.559 0.691 120 HB ILE 23 HB ILE 23 -8.682 -2.429 3.285 121 HG13 ILE 23 2HG1 ILE 23 -8.634 -0.203 2.996 122 HG21 ILE 23 1HG2 ILE 23 -5.700 -2.155 2.818 123 HG22 ILE 23 2HG2 ILE 23 -6.573 -1.911 4.350 124 HG23 ILE 23 3HG2 ILE 23 -6.493 -3.532 3.620 125 HD11 ILE 23 3HD1 ILE 23 -5.929 -0.572 1.634 126 HD12 ILE 23 1HD1 ILE 23 -6.722 1.004 1.872 127 HD13 ILE 23 2HD1 ILE 23 -6.222 0.037 3.281 128 H VAL 24 H VAL 24 -6.622 -1.312 -0.020 129 HA VAL 24 HA VAL 24 -4.286 -3.040 -0.269 130 HB VAL 24 HB VAL 24 -5.717 -1.750 -2.602 131 HG11 VAL 24 1HG1 VAL 24 -3.201 -1.772 -2.721 132 HG12 VAL 24 2HG1 VAL 24 -3.275 -3.549 -2.648 133 HG13 VAL 24 3HG1 VAL 24 -4.018 -2.683 -4.013 134 HG21 VAL 24 3HG2 VAL 24 -5.700 -4.524 -1.491 135 HG22 VAL 24 1HG2 VAL 24 -7.000 -3.620 -2.305 136 HG23 VAL 24 2HG2 VAL 24 -5.681 -4.336 -3.261 137 H LYS 25 H LYS 25 -2.612 -1.869 0.502 138 HA LYS 25 HA LYS 25 -2.613 0.997 -0.135 139 HB3 LYS 25 2HB LYS 25 -3.230 0.886 2.158 140 HG3 LYS 25 2HG LYS 25 -1.271 -1.374 2.203 141 HD3 LYS 25 2HD LYS 25 -0.722 0.795 3.879 142 HE3 LYS 25 2HE LYS 25 -1.489 -0.938 6.014 143 HZ1 LYS 25 3HZ LYS 25 -3.137 1.221 5.976 144 HZ2 LYS 25 1HZ LYS 25 -1.685 1.128 6.715 145 HZ3 LYS 25 2HZ LYS 25 -1.795 1.744 5.208 146 H ILE 26 H ILE 26 -0.264 1.903 0.201 147 HA ILE 26 HA ILE 26 1.555 -0.091 -0.958 148 HB ILE 26 HB ILE 26 1.322 2.880 -1.425 149 HG13 ILE 26 2HG1 ILE 26 0.107 0.661 -2.679 150 HG21 ILE 26 1HG2 ILE 26 3.310 2.909 -2.602 151 HG22 ILE 26 2HG2 ILE 26 3.711 1.857 -1.224 152 HG23 ILE 26 3HG2 ILE 26 3.340 1.141 -2.810 153 HD11 ILE 26 3HD1 ILE 26 -0.494 3.214 -2.490 154 HD12 ILE 26 1HD1 ILE 26 0.465 3.373 -3.981 155 HD13 ILE 26 2HD1 ILE 26 -0.973 2.325 -3.956 156 H GLU 27 H GLU 27 2.846 -0.850 0.644 157 HA GLU 27 HA GLU 27 3.286 0.256 3.036 158 HB3 GLU 27 2HB GLU 27 5.769 -0.954 2.192 159 HG3 GLU 27 2HG GLU 27 4.285 -2.931 3.444 160 H ASP 28 H ASP 28 5.088 0.926 -0.016 161 HA ASP 28 HA ASP 28 5.601 3.519 0.587 162 HB3 ASP 28 2HB ASP 28 8.262 2.212 0.899 163 H VAL 29 H VAL 29 7.777 4.234 -0.814 164 HA VAL 29 HA VAL 29 8.233 2.386 -2.999 165 HB VAL 29 HB VAL 29 6.312 3.417 -3.854 166 HG11 VAL 29 1HG1 VAL 29 5.795 5.760 -3.776 167 HG12 VAL 29 2HG1 VAL 29 6.236 5.246 -2.131 168 HG13 VAL 29 3HG1 VAL 29 7.404 6.151 -3.123 169 HG21 VAL 29 3HG2 VAL 29 8.674 4.995 -4.931 170 HG22 VAL 29 1HG2 VAL 29 8.198 3.355 -5.435 171 HG23 VAL 29 2HG2 VAL 29 7.118 4.733 -5.756 172 H TRP 30 H TRP 30 10.380 2.400 -3.419 173 HA TRP 30 HA TRP 30 11.813 4.915 -2.921 174 HB3 TRP 30 2HB TRP 30 12.252 3.517 -1.025 175 HD1 TRP 30 HD TRP 30 14.768 1.330 -2.714 176 HE1 TRP 30 1HE TRP 30 14.170 -1.236 -2.562 177 HE3 TRP 30 3HE TRP 30 9.991 2.002 -1.108 178 HZ2 TRP 30 2HZ TRP 30 11.818 -2.664 -1.804 179 HZ3 TRP 30 3HZ TRP 30 8.611 -0.031 -0.686 180 HH2 TRP 30 HH TRP 30 9.453 -2.303 -1.009 181 H GLY 31 H GLY 31 13.587 5.277 -4.390 182 HA2 GLY 31 1HA GLY 31 14.318 5.322 -6.543 183 HA3 GLY 31 2HA GLY 31 14.809 3.687 -6.144 184 H GLU 32 H GLU 32 14.196 2.196 -7.641 185 HA GLU 32 HA GLU 32 11.741 2.776 -9.098 186 HB3 GLU 32 2HB GLU 32 12.654 1.334 -10.885 187 HG3 GLU 32 2HG GLU 32 14.693 3.358 -9.842 188 H ASN 33 H ASN 33 11.488 1.723 -6.490 189 HA ASN 33 HA ASN 33 10.460 -0.901 -7.170 190 HB3 ASN 33 2HB ASN 33 11.269 -1.827 -5.012 191 HD21 ASN 33 1HD2 ASN 33 13.795 0.492 -5.610 192 HD22 ASN 33 2HD2 ASN 33 14.859 -0.522 -6.526 193 H VAL 34 H VAL 34 8.353 -1.165 -6.330 194 HA VAL 34 HA VAL 34 7.480 0.885 -4.413 195 HB VAL 34 HB VAL 34 6.292 -0.235 -6.893 196 HG11 VAL 34 1HG1 VAL 34 4.007 0.633 -5.903 197 HG12 VAL 34 2HG1 VAL 34 4.545 -1.039 -5.618 198 HG13 VAL 34 3HG1 VAL 34 4.756 0.193 -4.351 199 HG21 VAL 34 3HG2 VAL 34 5.565 2.020 -7.236 200 HG22 VAL 34 1HG2 VAL 34 5.898 2.452 -5.542 201 HG23 VAL 34 2HG2 VAL 34 7.244 2.089 -6.649 202 H ALA 35 H ALA 35 6.120 0.218 -2.677 203 HA ALA 35 HA ALA 35 6.173 -2.691 -2.253 204 HB1 ALA 35 3HB ALA 35 7.575 -1.748 -0.615 205 HB2 ALA 35 1HB ALA 35 6.532 -0.320 -0.409 206 HB3 ALA 35 2HB ALA 35 6.012 -1.901 0.222 207 H LEU 36 H LEU 36 4.215 -3.664 -2.333 208 HA LEU 36 HA LEU 36 1.875 -1.938 -1.953 209 HB3 LEU 36 2HB LEU 36 0.765 -4.009 -3.082 210 HG LEU 36 HG LEU 36 2.510 -2.039 -4.566 211 HD11 LEU 36 1HD1 LEU 36 2.114 -4.335 -5.733 212 HD12 LEU 36 2HD1 LEU 36 0.459 -3.725 -5.968 213 HD13 LEU 36 3HD1 LEU 36 1.842 -2.823 -6.633 214 HD21 LEU 36 3HD2 LEU 36 -0.095 -1.566 -5.261 215 HD22 LEU 36 1HD2 LEU 36 -0.253 -2.083 -3.566 216 HD23 LEU 36 2HD2 LEU 36 0.803 -0.713 -3.984 217 H THR 37 H THR 37 0.094 -2.716 -0.649 218 HA THR 37 HA THR 37 0.589 -5.055 0.988 219 HB THR 37 HB THR 37 0.107 -3.405 3.037 220 HG1 THR 37 1HG THR 37 1.192 -1.872 0.792 221 HG21 THR 37 3HG2 THR 37 2.861 -2.918 1.958 222 HG22 THR 37 1HG2 THR 37 2.365 -3.514 3.560 223 HG23 THR 37 2HG2 THR 37 2.408 -4.626 2.171 224 H TRP 38 H TRP 38 -1.236 -6.157 0.619 225 HA TRP 38 HA TRP 38 -3.736 -4.616 0.814 226 HB3 TRP 38 2HB TRP 38 -3.363 -5.369 -1.458 227 HD1 TRP 38 HD TRP 38 -4.461 -8.862 -0.271 228 HE1 TRP 38 1HE TRP 38 -2.856 -10.740 -1.200 229 HE3 TRP 38 3HE TRP 38 -0.995 -5.681 -2.201 230 HZ2 TRP 38 2HZ TRP 38 -0.374 -10.685 -2.606 231 HZ3 TRP 38 3HZ TRP 38 0.990 -6.675 -3.335 232 HH2 TRP 38 HH TRP 38 1.330 -9.086 -3.554 233 H THR 39 H THR 39 -5.526 -5.791 1.868 234 HA THR 39 HA THR 39 -4.488 -7.635 3.889 235 HB THR 39 HB THR 39 -6.801 -7.042 4.914 236 HG1 THR 39 1HG THR 39 -7.696 -5.113 3.816 237 HG21 THR 39 3HG2 THR 39 -4.965 -5.790 5.846 238 HG22 THR 39 1HG2 THR 39 -4.687 -4.923 4.316 239 HG23 THR 39 2HG2 THR 39 -6.125 -4.555 5.298 240 HA PRO 40 HA PRO 40 -6.565 -11.033 2.298 241 HB3 PRO 40 2HB PRO 40 -5.645 -12.449 3.865 242 HG3 PRO 40 2HG PRO 40 -4.997 -11.423 5.826 243 HD3 PRO 40 2HD PRO 40 -4.684 -9.271 5.078 244 HA PRO 41 HA PRO 41 -10.788 -10.656 2.141 245 HB3 PRO 41 2HB PRO 41 -11.017 -12.151 0.405 246 HG3 PRO 41 2HG PRO 41 -9.333 -13.720 0.257 247 HD3 PRO 41 2HD PRO 41 -7.637 -12.602 1.334 248 H LYS 42 H LYS 42 -12.545 -10.337 3.414 249 HA LYS 42 HA LYS 42 -12.242 -11.221 6.082 250 HB3 LYS 42 2HB LYS 42 -14.896 -10.238 5.286 251 HG3 LYS 42 2HG LYS 42 -12.699 -9.183 7.130 252 HD3 LYS 42 2HD LYS 42 -14.829 -7.746 6.220 253 HE3 LYS 42 2HE LYS 42 -16.203 -8.083 8.651 254 HZ1 LYS 42 3HZ LYS 42 -16.693 -8.283 5.906 255 HZ2 LYS 42 1HZ LYS 42 -17.529 -9.453 6.679 256 HZ3 LYS 42 2HZ LYS 42 -17.733 -7.889 7.101 257 H ASP 43 H ASP 43 -13.268 -12.810 3.261 258 HA ASP 43 HA ASP 43 -14.917 -14.599 4.867 259 HB3 ASP 43 2HB ASP 43 -14.897 -14.618 1.841 260 H ASP 44 H ASP 44 -14.540 -16.942 4.520 261 HA ASP 44 HA ASP 44 -12.682 -17.893 2.707 262 HB3 ASP 44 2HB ASP 44 -11.060 -16.703 4.204 263 H GLY 45 H GLY 45 -13.823 -19.825 2.433 264 HA2 GLY 45 1HA GLY 45 -13.965 -21.711 4.584 265 HA3 GLY 45 2HA GLY 45 -15.532 -21.025 4.203 266 H ASN 46 H ASN 46 -15.489 -20.670 1.448 267 HA ASN 46 HA ASN 46 -15.371 -23.437 0.613 268 HB3 ASN 46 2HB ASN 46 -16.460 -21.424 -1.291 269 HD21 ASN 46 1HD2 ASN 46 -19.095 -22.507 0.031 270 HD22 ASN 46 2HD2 ASN 46 -19.302 -24.067 -0.693 271 H ALA 47 H ALA 47 -13.312 -23.893 -0.237 272 HA ALA 47 HA ALA 47 -11.561 -23.812 -1.587 273 HB1 ALA 47 3HB ALA 47 -12.568 -23.604 -3.612 274 HB2 ALA 47 1HB ALA 47 -13.636 -22.293 -3.054 275 HB3 ALA 47 2HB ALA 47 -11.965 -21.930 -3.551 276 H ALA 48 H ALA 48 -10.700 -22.836 0.530 277 HA ALA 48 HA ALA 48 -10.401 -20.222 1.084 278 HB1 ALA 48 3HB ALA 48 -9.507 -22.355 2.258 279 HB2 ALA 48 1HB ALA 48 -8.057 -22.133 1.249 280 HB3 ALA 48 2HB ALA 48 -8.546 -20.863 2.397 281 H ILE 49 H ILE 49 -9.272 -18.450 0.325 282 HA ILE 49 HA ILE 49 -8.519 -18.392 -2.332 283 HB ILE 49 HB ILE 49 -7.945 -16.597 0.013 284 HG13 ILE 49 2HG1 ILE 49 -9.989 -16.740 -2.163 285 HG21 ILE 49 1HG2 ILE 49 -6.191 -15.834 -1.181 286 HG22 ILE 49 2HG2 ILE 49 -6.788 -16.520 -2.712 287 HG23 ILE 49 3HG2 ILE 49 -7.459 -14.989 -2.101 288 HD11 ILE 49 3HD1 ILE 49 -9.817 -16.429 0.798 289 HD12 ILE 49 1HD1 ILE 49 -11.074 -15.456 -0.003 290 HD13 ILE 49 2HD1 ILE 49 -11.062 -17.226 -0.192 291 H THR 50 H THR 50 -6.897 -19.450 -3.328 292 HA THR 50 HA THR 50 -4.719 -20.530 -1.857 293 HB THR 50 HB THR 50 -3.980 -21.112 -4.256 294 HG1 THR 50 1HG THR 50 -5.539 -20.407 -5.861 295 HG21 THR 50 3HG2 THR 50 -6.940 -21.708 -4.030 296 HG22 THR 50 1HG2 THR 50 -5.613 -22.787 -4.523 297 HG23 THR 50 2HG2 THR 50 -5.844 -22.390 -2.804 298 H GLY 51 H GLY 51 -4.863 -17.948 -4.406 299 HA2 GLY 51 1HA GLY 51 -2.692 -16.576 -2.994 300 HA3 GLY 51 2HA GLY 51 -2.410 -17.075 -4.650 301 H TYR 52 H TYR 52 -2.160 -14.528 -4.641 302 HA TYR 52 HA TYR 52 -4.765 -13.464 -5.482 303 HB3 TYR 52 2HB TYR 52 -4.072 -11.346 -4.350 304 HD1 TYR 52 1HD TYR 52 -2.256 -13.866 -2.312 305 HD2 TYR 52 2HD TYR 52 -5.919 -11.730 -2.884 306 HE1 TYR 52 1HE TYR 52 -3.090 -14.675 -0.050 307 HE2 TYR 52 2HE TYR 52 -6.740 -12.546 -0.621 308 HH TYR 52 HH TYR 52 -5.030 -14.990 1.143 309 H THR 53 H THR 53 -4.746 -12.286 -7.382 310 HA THR 53 HA THR 53 -2.234 -12.338 -8.846 311 HB THR 53 HB THR 53 -5.161 -11.798 -9.544 312 HG1 THR 53 1HG THR 53 -4.117 -14.005 -9.121 313 HG21 THR 53 3HG2 THR 53 -4.477 -11.702 -11.889 314 HG22 THR 53 1HG2 THR 53 -3.560 -10.449 -11.020 315 HG23 THR 53 2HG2 THR 53 -2.775 -11.987 -11.451 316 H ILE 54 H ILE 54 -1.116 -10.569 -9.624 317 HA ILE 54 HA ILE 54 -2.068 -7.988 -8.593 318 HB ILE 54 HB ILE 54 0.697 -9.177 -8.548 319 HG13 ILE 54 2HG1 ILE 54 -1.411 -8.741 -6.598 320 HG21 ILE 54 1HG2 ILE 54 -0.051 -6.281 -8.065 321 HG22 ILE 54 2HG2 ILE 54 1.555 -7.013 -7.843 322 HG23 ILE 54 3HG2 ILE 54 0.843 -6.905 -9.471 323 HD11 ILE 54 3HD1 ILE 54 0.247 -10.118 -5.220 324 HD12 ILE 54 1HD1 ILE 54 -0.278 -10.868 -6.747 325 HD13 ILE 54 2HD1 ILE 54 1.321 -10.093 -6.640 326 H GLN 55 H GLN 55 -1.871 -6.206 -9.975 327 HA GLN 55 HA GLN 55 -0.620 -6.724 -12.532 328 HB3 GLN 55 2HB GLN 55 -2.567 -5.915 -13.791 329 HG3 GLN 55 2HG GLN 55 -3.700 -7.939 -11.834 330 HE21 GLN 55 1HE2 GLN 55 -3.273 -9.673 -14.346 331 HE22 GLN 55 2HE2 GLN 55 -4.614 -9.287 -15.374 332 H LYS 56 H LYS 56 -0.020 -4.749 -13.688 333 HA LYS 56 HA LYS 56 -0.169 -2.368 -11.973 334 HB3 LYS 56 2HB LYS 56 2.094 -1.780 -12.831 335 HG3 LYS 56 2HG LYS 56 1.874 -4.481 -11.419 336 HD3 LYS 56 2HD LYS 56 4.091 -4.085 -10.584 337 HE3 LYS 56 2HE LYS 56 4.173 -3.167 -13.496 338 HZ1 LYS 56 3HZ LYS 56 6.044 -4.868 -12.015 339 HZ2 LYS 56 1HZ LYS 56 6.270 -4.151 -13.465 340 HZ3 LYS 56 2HZ LYS 56 6.229 -3.248 -12.104 341 H ALA 57 H ALA 57 -0.044 -0.289 -13.189 342 HA ALA 57 HA ALA 57 -0.544 -0.419 -16.014 343 HB1 ALA 57 3HB ALA 57 -2.774 0.732 -15.793 344 HB2 ALA 57 1HB ALA 57 -2.774 -0.959 -15.238 345 HB3 ALA 57 2HB ALA 57 -2.733 0.368 -14.052 346 H ASP 58 H ASP 58 -0.600 1.784 -16.964 347 HA ASP 58 HA ASP 58 0.922 3.559 -15.254 348 HB3 ASP 58 2HB ASP 58 0.792 4.659 -17.849 349 H LYS 59 H LYS 59 0.449 6.058 -15.970 350 HA LYS 59 HA LYS 59 -2.445 6.369 -15.721 351 HB3 LYS 59 2HB LYS 59 -0.974 8.817 -15.377 352 HG3 LYS 59 2HG LYS 59 -1.893 8.454 -12.990 353 HD3 LYS 59 2HD LYS 59 -4.355 8.095 -14.396 354 HE3 LYS 59 2HE LYS 59 -2.753 10.368 -13.250 355 HZ1 LYS 59 3HZ LYS 59 -4.235 10.733 -15.511 356 HZ2 LYS 59 1HZ LYS 59 -5.206 11.242 -14.300 357 HZ3 LYS 59 2HZ LYS 59 -3.720 11.894 -14.485 358 H LYS 60 H LYS 60 -0.776 5.747 -18.247 359 HA LYS 60 HA LYS 60 -1.802 8.031 -19.781 360 HB3 LYS 60 2HB LYS 60 0.565 8.279 -19.781 361 HG3 LYS 60 2HG LYS 60 1.501 5.893 -21.052 362 HD3 LYS 60 2HD LYS 60 2.318 5.822 -18.353 363 HE3 LYS 60 2HE LYS 60 3.502 6.096 -20.833 364 HZ1 LYS 60 3HZ LYS 60 4.092 8.539 -19.315 365 HZ2 LYS 60 1HZ LYS 60 4.752 8.093 -20.741 366 HZ3 LYS 60 2HZ LYS 60 3.173 8.503 -20.664 367 H SER 61 H SER 61 -1.175 4.520 -19.502 368 HA SER 61 HA SER 61 -3.016 4.179 -21.739 369 HB3 SER 61 2HB SER 61 -1.913 1.866 -21.936 370 HG SER 61 HG SER 61 -0.489 2.696 -23.347 371 H MET 62 H MET 62 -2.115 3.366 -18.400 372 HA MET 62 HA MET 62 -3.185 2.398 -16.774 373 HB3 MET 62 2HB MET 62 -5.765 2.206 -17.013 374 HG3 MET 62 2HG MET 62 -6.067 4.740 -17.292 375 HE1 MET 62 3HE MET 62 -6.321 3.570 -13.712 376 HE2 MET 62 1HE MET 62 -7.041 3.611 -15.338 377 HE3 MET 62 2HE MET 62 -5.972 2.266 -14.872 378 H GLU 63 H GLU 63 -2.252 0.866 -19.344 379 HA GLU 63 HA GLU 63 -3.892 -1.338 -19.642 380 HB3 GLU 63 2HB GLU 63 -2.306 -1.078 -21.341 381 HG3 GLU 63 2HG GLU 63 -0.392 -0.500 -19.067 382 H TRP 64 H TRP 64 -4.337 -3.042 -18.310 383 HA TRP 64 HA TRP 64 -2.741 -3.294 -15.894 384 HB3 TRP 64 2HB TRP 64 -4.544 -4.799 -15.164 385 HD1 TRP 64 HD TRP 64 -6.909 -2.497 -16.991 386 HE1 TRP 64 1HE TRP 64 -7.660 -0.444 -15.514 387 HE3 TRP 64 3HE TRP 64 -3.482 -3.223 -13.305 388 HZ2 TRP 64 2HZ TRP 64 -6.758 0.622 -13.025 389 HZ3 TRP 64 3HZ TRP 64 -3.486 -1.632 -11.386 390 HH2 TRP 64 HH TRP 64 -5.049 0.238 -11.210 391 H PHE 65 H PHE 65 -1.027 -4.679 -15.893 392 HA PHE 65 HA PHE 65 -1.179 -6.957 -17.740 393 HB3 PHE 65 2HB PHE 65 1.494 -6.317 -16.747 394 HD1 PHE 65 1HD PHE 65 0.054 -4.550 -19.634 395 HD2 PHE 65 2HD PHE 65 2.157 -7.996 -18.324 396 HE1 PHE 65 1HE PHE 65 0.629 -5.105 -22.014 397 HE2 PHE 65 2HE PHE 65 2.731 -8.550 -20.704 398 HZ PHE 65 HZ PHE 65 1.960 -7.098 -22.520 399 H THR 66 H THR 66 -0.868 -9.013 -16.923 400 HA THR 66 HA THR 66 -1.130 -9.401 -14.154 401 HB THR 66 HB THR 66 -0.292 -11.259 -16.442 402 HG1 THR 66 1HG THR 66 -2.593 -11.581 -16.452 403 HG21 THR 66 3HG2 THR 66 -0.482 -11.741 -13.581 404 HG22 THR 66 1HG2 THR 66 -1.839 -12.554 -14.399 405 HG23 THR 66 2HG2 THR 66 -0.163 -12.917 -14.877 406 H VAL 67 H VAL 67 0.290 -9.114 -12.567 407 HA VAL 67 HA VAL 67 3.103 -9.017 -13.261 408 HB VAL 67 HB VAL 67 1.564 -8.419 -10.728 409 HG11 VAL 67 1HG1 VAL 67 4.408 -8.844 -11.160 410 HG12 VAL 67 2HG1 VAL 67 4.078 -7.193 -10.582 411 HG13 VAL 67 3HG1 VAL 67 3.510 -8.595 -9.644 412 HG21 VAL 67 3HG2 VAL 67 1.249 -6.365 -11.540 413 HG22 VAL 67 1HG2 VAL 67 2.982 -6.191 -11.906 414 HG23 VAL 67 2HG2 VAL 67 1.891 -6.931 -13.101 415 H ILE 68 H ILE 68 0.858 -10.829 -11.068 416 HA ILE 68 HA ILE 68 2.525 -13.153 -11.368 417 HB ILE 68 HB ILE 68 3.063 -11.438 -9.243 418 HG13 ILE 68 2HG1 ILE 68 4.591 -13.194 -8.533 419 HG21 ILE 68 1HG2 ILE 68 2.487 -12.851 -7.261 420 HG22 ILE 68 2HG2 ILE 68 1.094 -12.060 -8.035 421 HG23 ILE 68 3HG2 ILE 68 1.401 -13.791 -8.312 422 HD11 ILE 68 3HD1 ILE 68 2.816 -15.061 -8.912 423 HD12 ILE 68 1HD1 ILE 68 3.332 -15.013 -10.614 424 HD13 ILE 68 2HD1 ILE 68 4.504 -15.428 -9.340 425 H GLU 69 H GLU 69 1.462 -15.082 -10.260 426 HA GLU 69 HA GLU 69 -1.361 -14.602 -9.817 427 HB3 GLU 69 2HB GLU 69 -1.889 -16.627 -11.263 428 HG3 GLU 69 2HG GLU 69 -0.696 -14.962 -13.313 429 H HIS 70 H HIS 70 -2.412 -16.302 -8.547 430 HA HIS 70 HA HIS 70 -2.392 -17.546 -6.718 431 HB3 HIS 70 2HB HIS 70 -1.959 -19.770 -7.139 432 HD1 HIS 70 1HD HIS 70 -4.001 -20.223 -8.539 433 HD2 HIS 70 2HD HIS 70 -0.959 -18.319 -10.711 434 HE1 HIS 70 1HE HIS 70 -4.782 -20.171 -10.968 435 H TYR 71 H TYR 71 -1.082 -15.641 -5.752 436 HA TYR 71 HA TYR 71 1.691 -16.265 -5.238 437 HB3 TYR 71 2HB TYR 71 -0.065 -14.146 -3.903 438 HD1 TYR 71 1HD TYR 71 3.146 -14.960 -5.635 439 HD2 TYR 71 2HD TYR 71 1.109 -12.368 -2.908 440 HE1 TYR 71 1HE TYR 71 5.352 -13.852 -5.029 441 HE2 TYR 71 2HE TYR 71 3.323 -11.268 -2.311 442 HH TYR 71 HH TYR 71 6.320 -12.250 -3.943 443 H HIS 72 H HIS 72 2.176 -15.507 -2.679 444 HA HIS 72 HA HIS 72 0.531 -17.363 -1.117 445 HB3 HIS 72 2HB HIS 72 3.270 -16.927 -0.158 446 HD1 HIS 72 1HD HIS 72 2.013 -20.013 -1.966 447 HD2 HIS 72 2HD HIS 72 2.509 -18.599 1.953 448 HE1 HIS 72 1HE HIS 72 1.618 -22.011 -0.429 449 H ARG 73 H ARG 73 3.099 -14.896 -0.399 450 HA ARG 73 HA ARG 73 1.842 -14.066 1.907 451 HB3 ARG 73 2HB ARG 73 3.350 -11.866 1.178 452 HG3 ARG 73 2HG ARG 73 3.667 -13.362 3.187 453 HD3 ARG 73 2HD ARG 73 5.682 -15.019 1.760 454 HE ARG 73 HE ARG 73 3.994 -15.218 4.111 455 HH11 ARG 73 2HH2 ARG 73 5.695 -17.149 1.711 456 HH12 ARG 73 1HH2 ARG 73 5.863 -18.525 2.751 457 HH21 ARG 73 2HH1 ARG 73 4.216 -17.032 5.483 458 HH22 ARG 73 1HH1 ARG 73 5.017 -18.458 4.910 459 H THR 74 H THR 74 1.637 -11.289 1.934 460 HA THR 74 HA THR 74 -0.495 -10.787 -0.039 461 HB THR 74 HB THR 74 -1.492 -9.377 1.801 462 HG1 THR 74 1HG THR 74 -0.324 -9.351 3.771 463 HG21 THR 74 3HG2 THR 74 -2.010 -11.237 3.427 464 HG22 THR 74 1HG2 THR 74 -2.244 -11.739 1.737 465 HG23 THR 74 2HG2 THR 74 -0.784 -12.244 2.621 466 H SER 75 H SER 75 2.678 -10.069 0.743 467 HA SER 75 HA SER 75 2.339 -7.418 -0.427 468 HB3 SER 75 2HB SER 75 3.276 -6.659 1.500 469 HG SER 75 HG SER 75 3.004 -8.544 2.728 470 H ALA 76 H ALA 76 3.857 -6.828 -2.081 471 HA ALA 76 HA ALA 76 5.961 -8.693 -2.734 472 HB1 ALA 76 3HB ALA 76 5.146 -9.341 -4.856 473 HB2 ALA 76 1HB ALA 76 3.739 -9.516 -3.779 474 HB3 ALA 76 2HB ALA 76 3.872 -8.098 -4.845 475 H THR 77 H THR 77 7.699 -7.553 -3.472 476 HA THR 77 HA THR 77 7.401 -4.713 -3.774 477 HB THR 77 HB THR 77 9.787 -6.617 -4.060 478 HG1 THR 77 1HG THR 77 10.001 -6.044 -1.829 479 HG21 THR 77 3HG2 THR 77 9.845 -4.078 -4.967 480 HG22 THR 77 1HG2 THR 77 9.969 -3.717 -3.229 481 HG23 THR 77 2HG2 THR 77 11.195 -4.740 -4.015 482 H ILE 78 H ILE 78 7.479 -3.459 -5.589 483 HA ILE 78 HA ILE 78 7.261 -4.965 -8.087 484 HB ILE 78 HB ILE 78 6.377 -2.190 -7.297 485 HG13 ILE 78 2HG1 ILE 78 4.132 -3.050 -7.566 486 HG21 ILE 78 1HG2 ILE 78 6.348 -3.563 -9.989 487 HG22 ILE 78 2HG2 ILE 78 5.288 -2.193 -9.581 488 HG23 ILE 78 3HG2 ILE 78 7.056 -1.989 -9.555 489 HD11 ILE 78 3HD1 ILE 78 5.386 -5.073 -9.106 490 HD12 ILE 78 1HD1 ILE 78 4.761 -5.895 -7.656 491 HD13 ILE 78 2HD1 ILE 78 3.658 -4.957 -8.692 492 H THR 79 H THR 79 8.270 -3.922 -10.057 493 HA THR 79 HA THR 79 10.627 -2.321 -9.409 494 HB THR 79 HB THR 79 11.906 -4.019 -10.947 495 HG1 THR 79 1HG THR 79 9.579 -5.501 -9.940 496 HG21 THR 79 3HG2 THR 79 12.463 -4.034 -8.572 497 HG22 THR 79 1HG2 THR 79 10.902 -4.784 -8.160 498 HG23 THR 79 2HG2 THR 79 12.135 -5.720 -9.038 499 H GLU 80 H GLU 80 11.838 -2.097 -11.794 500 HA GLU 80 HA GLU 80 11.724 -0.908 -13.614 501 HB3 GLU 80 2HB GLU 80 9.924 -1.664 -15.313 502 HG3 GLU 80 2HG GLU 80 11.856 -3.568 -13.935 503 H LEU 81 H LEU 81 11.205 0.999 -12.189 504 HA LEU 81 HA LEU 81 8.674 2.154 -13.069 505 HB3 LEU 81 2HB LEU 81 8.167 2.981 -10.857 506 HG LEU 81 HG LEU 81 8.612 -0.008 -10.927 507 HD11 LEU 81 1HD1 LEU 81 8.608 0.160 -8.665 508 HD12 LEU 81 2HD1 LEU 81 7.768 1.729 -8.665 509 HD13 LEU 81 3HD1 LEU 81 6.850 0.228 -8.928 510 HD21 LEU 81 3HD2 LEU 81 6.558 1.780 -11.895 511 HD22 LEU 81 1HD2 LEU 81 6.764 0.032 -12.155 512 HD23 LEU 81 2HD2 LEU 81 5.889 0.622 -10.722 513 H VAL 82 H VAL 82 9.001 4.132 -13.941 514 HA VAL 82 HA VAL 82 11.647 5.231 -13.813 515 HB VAL 82 HB VAL 82 10.371 5.181 -15.882 516 HG11 VAL 82 1HG1 VAL 82 8.211 5.720 -16.028 517 HG12 VAL 82 2HG1 VAL 82 8.210 5.981 -14.266 518 HG13 VAL 82 3HG1 VAL 82 8.518 7.344 -15.368 519 HG21 VAL 82 3HG2 VAL 82 10.336 7.927 -16.060 520 HG22 VAL 82 1HG2 VAL 82 11.436 7.650 -14.688 521 HG23 VAL 82 2HG2 VAL 82 11.774 6.897 -16.266 522 H ILE 83 H ILE 83 12.260 7.248 -12.904 523 HA ILE 83 HA ILE 83 10.616 7.977 -10.634 524 HB ILE 83 HB ILE 83 13.382 8.836 -11.490 525 HG13 ILE 83 2HG1 ILE 83 13.100 6.415 -10.889 526 HG21 ILE 83 1HG2 ILE 83 13.027 9.269 -8.741 527 HG22 ILE 83 2HG2 ILE 83 13.183 10.492 -10.025 528 HG23 ILE 83 3HG2 ILE 83 11.571 9.930 -9.522 529 HD11 ILE 83 3HD1 ILE 83 15.271 6.711 -10.312 530 HD12 ILE 83 1HD1 ILE 83 14.951 8.378 -9.776 531 HD13 ILE 83 2HD1 ILE 83 14.720 7.021 -8.648 532 H GLY 84 H GLY 84 8.865 9.190 -11.265 533 HA2 GLY 84 1HA GLY 84 8.755 11.769 -11.554 534 HA3 GLY 84 2HA GLY 84 9.324 11.380 -13.166 535 H ASN 85 H ASN 85 7.832 8.674 -13.007 536 HA ASN 85 HA ASN 85 5.266 9.826 -13.729 537 HB3 ASN 85 2HB ASN 85 5.002 7.399 -14.757 538 HD21 ASN 85 1HD2 ASN 85 7.018 7.102 -16.743 539 HD22 ASN 85 2HD2 ASN 85 6.975 8.480 -17.790 540 H GLU 86 H GLU 86 3.320 8.258 -13.239 541 HA GLU 86 HA GLU 86 3.840 6.874 -10.725 542 HB3 GLU 86 2HB GLU 86 2.652 9.037 -10.350 543 HG3 GLU 86 2HG GLU 86 0.050 8.616 -11.133 544 H TYR 87 H TYR 87 2.253 5.095 -10.241 545 HA TYR 87 HA TYR 87 0.875 4.114 -12.628 546 HB3 TYR 87 2HB TYR 87 1.956 1.895 -12.206 547 HD1 TYR 87 1HD TYR 87 4.542 4.245 -10.942 548 HD2 TYR 87 2HD TYR 87 2.983 2.168 -14.341 549 HE1 TYR 87 1HE TYR 87 6.601 4.888 -12.288 550 HE2 TYR 87 2HE TYR 87 5.047 2.817 -15.676 551 HH TYR 87 HH TYR 87 7.071 3.650 -15.566 552 H TYR 88 H TYR 88 -0.533 2.136 -12.024 553 HA TYR 88 HA TYR 88 -1.590 2.566 -9.309 554 HB3 TYR 88 2HB TYR 88 -3.708 1.614 -10.698 555 HD1 TYR 88 1HD TYR 88 -3.635 3.598 -8.739 556 HD2 TYR 88 2HD TYR 88 -3.428 4.156 -12.975 557 HE1 TYR 88 1HE TYR 88 -4.522 5.966 -8.477 558 HE2 TYR 88 2HE TYR 88 -4.316 6.522 -12.699 559 HH TYR 88 HH TYR 88 -5.846 7.574 -10.041 560 H PHE 89 H PHE 89 -2.660 0.662 -8.325 561 HA PHE 89 HA PHE 89 -1.763 -1.865 -9.491 562 HB3 PHE 89 2HB PHE 89 -0.932 -2.519 -7.252 563 HD1 PHE 89 2HD PHE 89 0.932 -2.144 -9.016 564 HD2 PHE 89 1HD PHE 89 -0.302 0.815 -6.237 565 HE1 PHE 89 2HE PHE 89 3.115 -0.944 -9.327 566 HE2 PHE 89 1HE PHE 89 1.880 2.016 -6.547 567 HZ PHE 89 HZ PHE 89 3.563 1.122 -8.088 568 H ARG 90 H ARG 90 -3.114 -3.663 -9.042 569 HA ARG 90 HA ARG 90 -5.385 -3.124 -7.345 570 HB3 ARG 90 2HB ARG 90 -6.573 -4.491 -9.472 571 HG3 ARG 90 2HG ARG 90 -6.442 -1.562 -8.696 572 HD3 ARG 90 2HD ARG 90 -6.814 -1.764 -11.214 573 HE ARG 90 HE ARG 90 -8.176 -3.656 -11.625 574 HH11 ARG 90 2HH2 ARG 90 -9.753 -1.469 -9.366 575 HH12 ARG 90 1HH2 ARG 90 -11.288 -2.263 -9.469 576 HH21 ARG 90 2HH1 ARG 90 -10.201 -4.706 -11.763 577 HH22 ARG 90 1HH1 ARG 90 -11.545 -4.118 -10.842 578 H VAL 91 H VAL 91 -5.552 -4.858 -5.959 579 HA VAL 91 HA VAL 91 -4.357 -7.380 -6.828 580 HB VAL 91 HB VAL 91 -5.120 -6.296 -4.110 581 HG11 VAL 91 1HG1 VAL 91 -4.546 -8.283 -3.111 582 HG12 VAL 91 2HG1 VAL 91 -5.241 -8.897 -4.629 583 HG13 VAL 91 3HG1 VAL 91 -3.475 -8.776 -4.444 584 HG21 VAL 91 3HG2 VAL 91 -2.356 -6.971 -4.336 585 HG22 VAL 91 1HG2 VAL 91 -2.792 -5.966 -5.740 586 HG23 VAL 91 2HG2 VAL 91 -3.094 -5.368 -4.090 587 H PHE 92 H PHE 92 -5.541 -9.283 -6.974 588 HA PHE 92 HA PHE 92 -8.430 -8.949 -6.555 589 HB3 PHE 92 2HB PHE 92 -8.632 -10.535 -8.473 590 HD1 PHE 92 2HD PHE 92 -5.435 -8.662 -8.895 591 HD2 PHE 92 1HD PHE 92 -9.540 -8.975 -9.926 592 HE1 PHE 92 2HE PHE 92 -5.157 -6.806 -10.563 593 HE2 PHE 92 1HE PHE 92 -9.262 -7.119 -11.594 594 HZ PHE 92 HZ PHE 92 -7.074 -6.057 -11.892 595 H SER 93 H SER 93 -9.495 -11.315 -6.462 596 HA SER 93 HA SER 93 -7.858 -12.792 -4.552 597 HB3 SER 93 2HB SER 93 -9.997 -13.519 -3.507 598 HG SER 93 HG SER 93 -9.921 -10.645 -3.868 599 H GLU 94 H GLU 94 -7.458 -14.955 -5.001 600 HA GLU 94 HA GLU 94 -9.002 -16.072 -7.211 601 HB3 GLU 94 2HB GLU 94 -6.564 -17.458 -7.169 602 HG3 GLU 94 2HG GLU 94 -6.255 -15.398 -9.062 603 H ASN 95 H ASN 95 -9.118 -18.525 -7.179 604 HA ASN 95 HA ASN 95 -8.384 -19.912 -4.883 605 HB3 ASN 95 2HB ASN 95 -10.099 -19.087 -3.536 606 HD21 ASN 95 1HD2 ASN 95 -12.886 -19.795 -5.058 607 HD22 ASN 95 2HD2 ASN 95 -13.363 -18.243 -5.662 608 H MET 96 H MET 96 -11.363 -19.740 -6.995 609 HA MET 96 HA MET 96 -10.411 -22.024 -8.460 610 HB3 MET 96 2HB MET 96 -12.617 -23.235 -8.078 611 HG3 MET 96 2HG MET 96 -11.424 -22.664 -5.350 612 HE1 MET 96 3HE MET 96 -11.425 -26.133 -4.114 613 HE2 MET 96 1HE MET 96 -10.569 -26.434 -5.645 614 HE3 MET 96 2HE MET 96 -10.235 -24.953 -4.716 615 H CYS 97 H CYS 97 -13.278 -19.875 -7.839 616 HA CYS 97 HA CYS 97 -14.475 -20.051 -10.260 617 HB3 CYS 97 2HB CYS 97 -14.516 -17.294 -9.382 618 HG CYS 97 HG CYS 97 -16.833 -19.269 -8.387 619 H GLY 98 H GLY 98 -12.097 -17.463 -9.277 620 HA2 GLY 98 1HA GLY 98 -10.315 -17.627 -11.313 621 HA3 GLY 98 2HA GLY 98 -11.638 -16.725 -12.025 622 H LEU 99 H LEU 99 -11.083 -14.585 -12.047 623 HA LEU 99 HA LEU 99 -9.708 -13.539 -9.686 624 HB3 LEU 99 2HB LEU 99 -9.293 -11.577 -11.235 625 HG LEU 99 HG LEU 99 -7.512 -12.605 -12.541 626 HD11 LEU 99 1HD1 LEU 99 -7.716 -13.720 -9.730 627 HD12 LEU 99 2HD1 LEU 99 -6.227 -13.627 -10.701 628 HD13 LEU 99 3HD1 LEU 99 -7.062 -12.135 -10.206 629 HD21 LEU 99 3HD2 LEU 99 -8.871 -14.640 -13.177 630 HD22 LEU 99 1HD2 LEU 99 -7.169 -14.939 -12.752 631 HD23 LEU 99 2HD2 LEU 99 -8.458 -15.312 -11.581 632 H SER 100 H SER 100 -10.578 -11.880 -8.441 633 HA SER 100 HA SER 100 -13.298 -11.764 -8.255 634 HB3 SER 100 2HB SER 100 -12.197 -11.042 -6.334 635 HG SER 100 HG SER 100 -10.523 -9.534 -8.132 636 H GLU 101 H GLU 101 -14.853 -10.789 -9.502 637 HA GLU 101 HA GLU 101 -14.462 -9.595 -11.820 638 HB3 GLU 101 2HB GLU 101 -16.652 -8.181 -10.586 639 HG3 GLU 101 2HG GLU 101 -17.459 -10.635 -11.891 640 H ASP 102 H ASP 102 -14.601 -7.871 -8.635 641 HA ASP 102 HA ASP 102 -13.547 -5.542 -10.030 642 HB3 ASP 102 2HB ASP 102 -14.610 -4.177 -8.445 643 H ALA 103 H ALA 103 -11.716 -4.404 -8.978 644 HA ALA 103 HA ALA 103 -10.348 -6.045 -6.958 645 HB1 ALA 103 3HB ALA 103 -8.378 -5.957 -8.140 646 HB2 ALA 103 1HB ALA 103 -9.514 -5.890 -9.508 647 HB3 ALA 103 2HB ALA 103 -8.773 -4.393 -8.894 648 H THR 104 H THR 104 -9.396 -4.926 -5.237 649 HA THR 104 HA THR 104 -10.357 -2.219 -4.900 650 HB THR 104 HB THR 104 -8.834 -4.195 -3.121 651 HG1 THR 104 1HG THR 104 -11.563 -3.134 -3.362 652 HG21 THR 104 3HG2 THR 104 -8.636 -2.535 -1.567 653 HG22 THR 104 1HG2 THR 104 -9.206 -1.361 -2.778 654 HG23 THR 104 2HG2 THR 104 -10.374 -2.180 -1.713 655 H MET 105 H MET 105 -9.297 -0.689 -6.044 656 HA MET 105 HA MET 105 -6.479 -0.930 -6.398 657 HB3 MET 105 2HB MET 105 -8.338 1.433 -7.014 658 HG3 MET 105 2HG MET 105 -6.129 0.727 -8.867 659 HE1 MET 105 3HE MET 105 -5.790 2.656 -10.547 660 HE2 MET 105 1HE MET 105 -7.465 2.063 -10.457 661 HE3 MET 105 2HE MET 105 -7.145 3.809 -10.583 662 H THR 106 H THR 106 -4.835 0.345 -5.455 663 HA THR 106 HA THR 106 -5.080 1.095 -2.847 664 HB THR 106 HB THR 106 -2.966 2.448 -3.380 665 HG1 THR 106 1HG THR 106 -3.837 2.985 -5.575 666 HG21 THR 106 3HG2 THR 106 -2.229 0.263 -3.046 667 HG22 THR 106 1HG2 THR 106 -3.418 -0.415 -4.184 668 HG23 THR 106 2HG2 THR 106 -1.938 0.359 -4.799 669 H LYS 107 H LYS 107 -6.076 2.639 -1.720 670 HA LYS 107 HA LYS 107 -7.846 4.385 -2.742 671 HB3 LYS 107 2HB LYS 107 -6.698 5.692 -0.508 672 HG3 LYS 107 2HG LYS 107 -8.668 4.045 0.506 673 HD3 LYS 107 2HD LYS 107 -9.781 6.219 -1.157 674 HE3 LYS 107 2HE LYS 107 -10.639 5.134 1.075 675 HZ1 LYS 107 3HZ LYS 107 -8.273 6.230 1.935 676 HZ2 LYS 107 1HZ LYS 107 -9.447 7.169 2.573 677 HZ3 LYS 107 2HZ LYS 107 -9.445 5.561 2.855 678 H GLU 108 H GLU 108 -4.299 4.753 -2.572 679 HA GLU 108 HA GLU 108 -4.652 7.187 -4.138 680 HB3 GLU 108 2HB GLU 108 -2.443 7.950 -3.039 681 HG3 GLU 108 2HG GLU 108 -4.108 7.991 -0.706 682 H SER 109 H SER 109 -2.564 7.711 -5.441 683 HA SER 109 HA SER 109 -1.753 5.219 -6.641 684 HB3 SER 109 2HB SER 109 -2.593 7.088 -8.063 685 HG SER 109 HG SER 109 -0.161 8.496 -7.868 686 H ALA 110 H ALA 110 0.695 5.314 -7.526 687 HA ALA 110 HA ALA 110 2.342 6.145 -5.236 688 HB1 ALA 110 3HB ALA 110 3.813 4.258 -5.855 689 HB2 ALA 110 1HB ALA 110 2.158 3.700 -5.511 690 HB3 ALA 110 2HB ALA 110 2.717 3.842 -7.195 691 H VAL 111 H VAL 111 3.597 7.882 -5.671 692 HA VAL 111 HA VAL 111 4.311 8.330 -8.480 693 HB VAL 111 HB VAL 111 4.916 10.597 -6.949 694 HG11 VAL 111 1HG1 VAL 111 2.442 10.091 -8.636 695 HG12 VAL 111 2HG1 VAL 111 3.202 11.661 -8.282 696 HG13 VAL 111 3HG1 VAL 111 4.055 10.466 -9.288 697 HG21 VAL 111 3HG2 VAL 111 3.621 9.823 -5.077 698 HG22 VAL 111 1HG2 VAL 111 2.692 11.100 -5.900 699 HG23 VAL 111 2HG2 VAL 111 2.255 9.390 -6.132 700 H ILE 112 H ILE 112 6.277 7.485 -8.958 701 HA ILE 112 HA ILE 112 8.186 6.831 -7.047 702 HB ILE 112 HB ILE 112 8.556 7.377 -9.994 703 HG13 ILE 112 2HG1 ILE 112 8.303 4.830 -10.105 704 HG21 ILE 112 1HG2 ILE 112 10.534 6.109 -9.897 705 HG22 ILE 112 2HG2 ILE 112 10.624 7.224 -8.512 706 HG23 ILE 112 3HG2 ILE 112 10.181 5.520 -8.255 707 HD11 ILE 112 3HD1 ILE 112 6.492 5.115 -7.727 708 HD12 ILE 112 1HD1 ILE 112 7.321 3.672 -8.356 709 HD13 ILE 112 2HD1 ILE 112 8.226 4.876 -7.409 710 H ALA 113 H ALA 113 9.486 8.071 -5.817 711 HA ALA 113 HA ALA 113 10.295 10.661 -6.936 712 HB1 ALA 113 3HB ALA 113 8.447 10.988 -5.320 713 HB2 ALA 113 1HB ALA 113 9.378 10.108 -4.084 714 HB3 ALA 113 2HB ALA 113 9.977 11.662 -4.709 715 H ARG 114 H ARG 114 11.277 7.649 -6.220 716 HA ARG 114 HA ARG 114 13.160 6.721 -5.715 717 HB3 ARG 114 2HB ARG 114 14.362 9.528 -5.936 718 HG3 ARG 114 2HG ARG 114 16.116 7.428 -6.825 719 HD3 ARG 114 2HD ARG 114 16.086 9.634 -4.798 720 HE ARG 114 HE ARG 114 17.386 8.390 -3.318 721 HH11 ARG 114 2HH2 ARG 114 18.099 7.326 -6.596 722 HH12 ARG 114 1HH2 ARG 114 19.348 6.231 -6.105 723 HH21 ARG 114 2HH1 ARG 114 19.034 6.945 -2.671 724 HH22 ARG 114 1HH1 ARG 114 19.883 6.012 -3.858 725 H ASP 115 H ASP 115 11.422 8.208 -3.613 726 HA ASP 115 HA ASP 115 13.156 7.620 -1.441 727 HB3 ASP 115 2HB ASP 115 11.951 10.403 -1.438 728 H GLY 116 H GLY 116 11.859 7.024 0.379 729 HA2 GLY 116 1HA GLY 116 8.946 7.427 0.047 730 HA3 GLY 116 2HA GLY 116 9.683 5.985 0.717 731 H LYS 117 H LYS 117 7.710 7.553 2.096 732 HA LYS 117 HA LYS 117 9.344 8.801 4.193 733 HB3 LYS 117 2HB LYS 117 6.580 9.449 4.477 734 HG3 LYS 117 2HG LYS 117 7.512 11.765 3.909 735 HD3 LYS 117 2HD LYS 117 9.188 10.179 5.908 736 HE3 LYS 117 2HE LYS 117 8.186 12.964 6.400 737 HZ1 LYS 117 3HZ LYS 117 9.521 11.980 8.023 738 HZ2 LYS 117 1HZ LYS 117 10.625 11.435 6.949 739 HZ3 LYS 117 2HZ LYS 117 10.509 13.034 7.262 740 H ILE 118 H ILE 118 8.095 8.631 6.437 741 HA ILE 118 HA ILE 118 7.060 5.897 6.668 742 HB ILE 118 HB ILE 118 9.302 7.200 8.172 743 HG13 ILE 118 2HG1 ILE 118 9.299 5.412 6.125 744 HG21 ILE 118 1HG2 ILE 118 7.647 4.870 9.180 745 HG22 ILE 118 2HG2 ILE 118 9.130 5.520 9.920 746 HG23 ILE 118 3HG2 ILE 118 7.654 6.514 9.862 747 HD11 ILE 118 3HD1 ILE 118 11.176 6.631 7.670 748 HD12 ILE 118 1HD1 ILE 118 11.376 4.951 8.229 749 HD13 ILE 118 2HD1 ILE 118 11.571 5.345 6.504 750 H TYR 119 H TYR 119 4.959 6.127 7.223 751 HA TYR 119 HA TYR 119 4.377 8.079 9.342 752 HB3 TYR 119 2HB TYR 119 3.156 7.486 6.612 753 HD1 TYR 119 2HD TYR 119 1.158 6.164 7.324 754 HD2 TYR 119 1HD TYR 119 1.835 10.156 8.705 755 HE1 TYR 119 2HE TYR 119 -1.275 6.336 8.044 756 HE2 TYR 119 1HE TYR 119 -0.600 10.315 9.420 757 HH TYR 119 HH TYR 119 -2.458 9.221 9.723 758 H LYS 120 H LYS 120 2.967 7.387 10.950 759 HA LYS 120 HA LYS 120 2.742 4.674 11.404 760 HB3 LYS 120 2HB LYS 120 0.991 6.886 12.519 761 HG3 LYS 120 2HG LYS 120 1.899 4.616 14.202 762 HD3 LYS 120 2HD LYS 120 -0.475 6.383 13.828 763 HE3 LYS 120 2HE LYS 120 -0.693 3.438 14.455 764 HZ1 LYS 120 3HZ LYS 120 -1.822 5.570 15.991 765 HZ2 LYS 120 1HZ LYS 120 -2.918 4.481 15.460 766 HZ3 LYS 120 2HZ LYS 120 -1.653 3.990 16.368 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 3.889 -19.667 6.133 2 HA2 GLY 1 1HA GLY 1 1.598 -19.546 6.276 3 HA3 GLY 1 2HA GLY 1 1.848 -21.275 6.408 4 H SER 2 H SER 2 0.433 -18.562 7.874 5 HA SER 2 HA SER 2 -0.313 -20.140 10.113 6 HB3 SER 2 2HB SER 2 0.415 -18.030 11.632 7 HG SER 2 HG SER 2 1.172 -20.464 11.540 8 H SER 3 H SER 3 -2.231 -19.278 11.146 9 HA SER 3 HA SER 3 -3.126 -16.685 10.504 10 HB3 SER 3 2HB SER 3 -4.739 -18.964 9.285 11 HG SER 3 HG SER 3 -4.986 -16.379 8.264 12 H GLY 4 H GLY 4 -5.575 -16.484 11.312 13 HA2 GLY 4 1HA GLY 4 -6.795 -18.341 12.929 14 HA3 GLY 4 2HA GLY 4 -5.630 -17.542 13.964 15 H SER 5 H SER 5 -7.135 -16.411 15.257 16 HA SER 5 HA SER 5 -8.431 -14.771 15.838 17 HB3 SER 5 2HB SER 5 -8.591 -12.736 14.230 18 HG SER 5 HG SER 5 -5.995 -12.668 14.372 19 H SER 6 H SER 6 -10.679 -14.390 15.854 20 HA SER 6 HA SER 6 -12.230 -14.436 13.551 21 HB3 SER 6 2HB SER 6 -12.591 -16.951 15.224 22 HG SER 6 HG SER 6 -13.603 -15.974 12.710 23 H GLY 7 H GLY 7 -14.612 -14.267 14.118 24 HA2 GLY 7 1HA GLY 7 -15.324 -14.067 16.902 25 HA3 GLY 7 2HA GLY 7 -15.150 -12.511 16.116 26 H ALA 8 H ALA 8 -17.573 -14.106 17.156 27 HA ALA 8 HA ALA 8 -19.685 -14.447 16.590 28 HB1 ALA 8 3HB ALA 8 -18.765 -12.255 14.808 29 HB2 ALA 8 1HB ALA 8 -20.265 -13.070 14.304 30 HB3 ALA 8 2HB ALA 8 -20.157 -12.322 15.916 31 H SER 9 H SER 9 -21.173 -15.507 14.957 32 HA SER 9 HA SER 9 -20.117 -16.575 12.620 33 HB3 SER 9 2HB SER 9 -20.505 -19.029 13.988 34 HG SER 9 HG SER 9 -18.371 -19.405 13.370 35 H ILE 10 H ILE 10 -22.165 -15.866 11.832 36 HA ILE 10 HA ILE 10 -24.507 -17.120 13.047 37 HB ILE 10 HB ILE 10 -25.772 -15.490 11.711 38 HG13 ILE 10 2HG1 ILE 10 -23.529 -15.315 10.134 39 HG21 ILE 10 1HG2 ILE 10 -24.473 -13.427 12.926 40 HG22 ILE 10 2HG2 ILE 10 -25.600 -14.542 13.737 41 HG23 ILE 10 3HG2 ILE 10 -23.845 -14.821 13.837 42 HD11 ILE 10 3HD1 ILE 10 -24.942 -12.938 9.649 43 HD12 ILE 10 1HD1 ILE 10 -25.275 -14.525 8.917 44 HD13 ILE 10 2HD1 ILE 10 -26.152 -14.018 10.381 45 H ASP 11 H ASP 11 -23.368 -19.180 12.067 46 HA ASP 11 HA ASP 11 -23.189 -20.685 10.486 47 HB3 ASP 11 2HB ASP 11 -25.520 -20.825 9.119 48 H ILE 12 H ILE 12 -21.622 -18.997 9.375 49 HA ILE 12 HA ILE 12 -22.714 -17.756 7.009 50 HB ILE 12 HB ILE 12 -19.939 -17.854 8.193 51 HG13 ILE 12 2HG1 ILE 12 -21.680 -16.611 9.482 52 HG21 ILE 12 1HG2 ILE 12 -20.279 -17.560 5.586 53 HG22 ILE 12 2HG2 ILE 12 -20.700 -15.899 6.066 54 HG23 ILE 12 3HG2 ILE 12 -19.108 -16.573 6.493 55 HD11 ILE 12 3HD1 ILE 12 -19.092 -15.772 8.681 56 HD12 ILE 12 1HD1 ILE 12 -20.126 -14.329 8.552 57 HD13 ILE 12 2HD1 ILE 12 -20.013 -15.208 10.096 58 H GLN 13 H GLN 13 -23.466 -19.577 5.803 59 HA GLN 13 HA GLN 13 -21.370 -21.420 5.007 60 HB3 GLN 13 2HB GLN 13 -23.537 -22.524 3.885 61 HG3 GLN 13 2HG GLN 13 -23.450 -22.651 6.904 62 HE21 GLN 13 1HE2 GLN 13 -22.371 -24.768 4.285 63 HE22 GLN 13 2HE2 GLN 13 -23.578 -25.998 4.471 64 H ILE 14 H ILE 14 -21.647 -22.186 2.564 65 HA ILE 14 HA ILE 14 -21.052 -21.482 0.519 66 HB ILE 14 HB ILE 14 -23.877 -20.549 0.932 67 HG13 ILE 14 2HG1 ILE 14 -23.228 -23.004 0.956 68 HG21 ILE 14 1HG2 ILE 14 -23.835 -19.334 -0.921 69 HG22 ILE 14 2HG2 ILE 14 -22.125 -19.740 -1.199 70 HG23 ILE 14 3HG2 ILE 14 -23.406 -20.798 -1.838 71 HD11 ILE 14 3HD1 ILE 14 -24.960 -23.212 -1.251 72 HD12 ILE 14 1HD1 ILE 14 -25.440 -23.097 0.459 73 HD13 ILE 14 2HD1 ILE 14 -25.341 -21.626 -0.539 74 H ILE 15 H ILE 15 -19.298 -20.084 1.394 75 HA ILE 15 HA ILE 15 -19.847 -17.300 1.691 76 HB ILE 15 HB ILE 15 -17.364 -18.992 1.647 77 HG13 ILE 15 2HG1 ILE 15 -18.795 -17.393 3.787 78 HG21 ILE 15 1HG2 ILE 15 -17.519 -15.973 1.839 79 HG22 ILE 15 2HG2 ILE 15 -16.086 -16.951 2.234 80 HG23 ILE 15 3HG2 ILE 15 -16.720 -16.931 0.571 81 HD11 ILE 15 3HD1 ILE 15 -18.327 -20.348 3.235 82 HD12 ILE 15 1HD1 ILE 15 -18.726 -19.744 4.862 83 HD13 ILE 15 2HD1 ILE 15 -19.872 -19.512 3.520 84 H ASP 16 H ASP 16 -18.889 -19.501 -0.924 85 HA ASP 16 HA ASP 16 -18.532 -19.203 -3.042 86 HB3 ASP 16 2HB ASP 16 -19.672 -16.676 -3.686 87 H ARG 17 H ARG 17 -18.015 -16.995 -4.735 88 HA ARG 17 HA ARG 17 -15.472 -16.461 -4.466 89 HB3 ARG 17 2HB ARG 17 -16.206 -14.035 -5.464 90 HG3 ARG 17 2HG ARG 17 -16.188 -16.805 -6.627 91 HD3 ARG 17 2HD ARG 17 -17.873 -14.670 -7.684 92 HE ARG 17 HE ARG 17 -15.362 -14.755 -8.981 93 HH11 ARG 17 2HH2 ARG 17 -18.747 -15.193 -9.840 94 HH12 ARG 17 1HH2 ARG 17 -18.532 -14.665 -11.475 95 HH21 ARG 17 2HH1 ARG 17 -15.079 -14.056 -11.139 96 HH22 ARG 17 1HH1 ARG 17 -16.432 -14.013 -12.218 97 HA PRO 18 HA PRO 18 -15.084 -13.992 -0.866 98 HB3 PRO 18 2HB PRO 18 -13.070 -14.966 -0.323 99 HG3 PRO 18 2HG PRO 18 -12.025 -16.053 -2.068 100 HD3 PRO 18 2HD PRO 18 -13.836 -16.513 -3.406 101 H GLY 19 H GLY 19 -14.579 -12.941 -4.024 102 HA2 GLY 19 1HA GLY 19 -14.907 -10.900 -4.929 103 HA3 GLY 19 2HA GLY 19 -15.391 -10.294 -3.357 104 HA PRO 20 HA PRO 20 -11.419 -8.341 -4.107 105 HB3 PRO 20 2HB PRO 20 -12.244 -6.335 -4.883 106 HG3 PRO 20 2HG PRO 20 -14.518 -6.061 -4.615 107 HD3 PRO 20 2HD PRO 20 -15.186 -8.259 -4.522 108 HA PRO 21 HA PRO 21 -9.817 -8.518 -0.182 109 HB3 PRO 21 2HB PRO 21 -7.634 -8.385 -0.905 110 HG3 PRO 21 2HG PRO 21 -7.355 -7.336 -2.940 111 HD3 PRO 21 2HD PRO 21 -9.439 -7.661 -3.856 112 H GLN 22 H GLN 22 -9.242 -7.397 1.910 113 HA GLN 22 HA GLN 22 -11.397 -5.784 2.530 114 HB3 GLN 22 2HB GLN 22 -9.586 -5.235 4.534 115 HG3 GLN 22 2HG GLN 22 -10.675 -8.001 4.622 116 HE21 GLN 22 1HE2 GLN 22 -9.177 -7.403 6.459 117 HE22 GLN 22 2HE2 GLN 22 -9.884 -6.681 7.865 118 H ILE 23 H ILE 23 -7.970 -5.008 1.712 119 HA ILE 23 HA ILE 23 -8.699 -2.472 0.718 120 HB ILE 23 HB ILE 23 -8.786 -2.208 3.276 121 HG13 ILE 23 2HG1 ILE 23 -8.440 0.033 3.008 122 HG21 ILE 23 1HG2 ILE 23 -6.305 -1.444 3.947 123 HG22 ILE 23 2HG2 ILE 23 -6.935 -3.081 4.244 124 HG23 ILE 23 3HG2 ILE 23 -5.903 -2.769 2.828 125 HD11 ILE 23 3HD1 ILE 23 -6.223 0.569 2.830 126 HD12 ILE 23 1HD1 ILE 23 -5.864 -0.853 1.821 127 HD13 ILE 23 2HD1 ILE 23 -6.555 0.612 1.082 128 H VAL 24 H VAL 24 -6.736 -1.293 -0.112 129 HA VAL 24 HA VAL 24 -4.404 -3.046 -0.296 130 HB VAL 24 HB VAL 24 -5.968 -1.867 -2.596 131 HG11 VAL 24 1HG1 VAL 24 -3.386 -3.389 -2.926 132 HG12 VAL 24 2HG1 VAL 24 -4.227 -2.327 -4.080 133 HG13 VAL 24 3HG1 VAL 24 -3.382 -1.626 -2.679 134 HG21 VAL 24 3HG2 VAL 24 -6.034 -4.399 -1.339 135 HG22 VAL 24 1HG2 VAL 24 -6.815 -3.913 -2.862 136 HG23 VAL 24 2HG2 VAL 24 -5.186 -4.629 -2.887 137 H LYS 25 H LYS 25 -2.758 -1.873 0.532 138 HA LYS 25 HA LYS 25 -2.715 0.984 -0.156 139 HB3 LYS 25 2HB LYS 25 -1.318 0.951 2.142 140 HG3 LYS 25 2HG LYS 25 -4.278 0.935 2.545 141 HD3 LYS 25 2HD LYS 25 -3.337 3.492 2.976 142 HE3 LYS 25 2HE LYS 25 -2.673 2.021 5.329 143 HZ1 LYS 25 3HZ LYS 25 -4.018 4.029 5.130 144 HZ2 LYS 25 1HZ LYS 25 -5.255 3.160 4.512 145 HZ3 LYS 25 2HZ LYS 25 -4.755 2.893 6.044 146 H ILE 26 H ILE 26 -0.320 1.844 0.198 147 HA ILE 26 HA ILE 26 1.435 -0.150 -1.060 148 HB ILE 26 HB ILE 26 1.163 2.816 -1.510 149 HG13 ILE 26 2HG1 ILE 26 0.016 0.589 -2.772 150 HG21 ILE 26 1HG2 ILE 26 3.146 2.862 -2.768 151 HG22 ILE 26 2HG2 ILE 26 3.575 2.021 -1.259 152 HG23 ILE 26 3HG2 ILE 26 3.304 1.089 -2.751 153 HD11 ILE 26 3HD1 ILE 26 -0.701 2.312 -4.449 154 HD12 ILE 26 1HD1 ILE 26 -0.920 2.862 -2.770 155 HD13 ILE 26 2HD1 ILE 26 0.457 3.455 -3.729 156 H GLU 27 H GLU 27 2.826 -0.925 0.437 157 HA GLU 27 HA GLU 27 3.320 0.140 2.855 158 HB3 GLU 27 2HB GLU 27 5.750 -1.099 1.825 159 HG3 GLU 27 2HG GLU 27 4.503 -3.012 3.317 160 H ASP 28 H ASP 28 5.129 0.760 -0.217 161 HA ASP 28 HA ASP 28 5.655 3.365 0.374 162 HB3 ASP 28 2HB ASP 28 8.301 2.013 0.645 163 H VAL 29 H VAL 29 7.866 4.025 -1.038 164 HA VAL 29 HA VAL 29 8.211 2.188 -3.255 165 HB VAL 29 HB VAL 29 6.349 3.306 -4.100 166 HG11 VAL 29 1HG1 VAL 29 6.369 5.080 -2.281 167 HG12 VAL 29 2HG1 VAL 29 7.483 6.004 -3.318 168 HG13 VAL 29 3HG1 VAL 29 5.843 5.620 -3.892 169 HG21 VAL 29 3HG2 VAL 29 8.231 3.260 -5.680 170 HG22 VAL 29 1HG2 VAL 29 7.200 4.689 -5.940 171 HG23 VAL 29 2HG2 VAL 29 8.761 4.858 -5.101 172 H TRP 30 H TRP 30 10.309 2.213 -3.937 173 HA TRP 30 HA TRP 30 11.882 4.604 -3.306 174 HB3 TRP 30 2HB TRP 30 12.334 3.113 -1.493 175 HD1 TRP 30 HD TRP 30 14.597 0.876 -3.514 176 HE1 TRP 30 1HE TRP 30 13.890 -1.663 -3.380 177 HE3 TRP 30 3HE TRP 30 10.077 1.707 -1.337 178 HZ2 TRP 30 2HZ TRP 30 11.571 -3.009 -2.401 179 HZ3 TRP 30 3HZ TRP 30 8.653 -0.275 -0.825 180 HH2 TRP 30 HH TRP 30 9.334 -2.569 -1.321 181 H GLY 31 H GLY 31 13.709 4.883 -4.776 182 HA2 GLY 31 1HA GLY 31 14.394 5.004 -6.940 183 HA3 GLY 31 2HA GLY 31 14.723 3.304 -6.669 184 H GLU 32 H GLU 32 13.876 1.942 -8.175 185 HA GLU 32 HA GLU 32 11.474 2.881 -9.535 186 HB3 GLU 32 2HB GLU 32 12.214 1.323 -11.394 187 HG3 GLU 32 2HG GLU 32 14.224 3.456 -10.527 188 H ASN 33 H ASN 33 11.401 1.570 -6.942 189 HA ASN 33 HA ASN 33 10.069 -0.880 -7.779 190 HB3 ASN 33 2HB ASN 33 10.813 -1.953 -5.654 191 HD21 ASN 33 1HD2 ASN 33 13.430 0.264 -6.427 192 HD22 ASN 33 2HD2 ASN 33 14.418 -0.836 -7.328 193 H VAL 34 H VAL 34 8.170 -1.421 -6.401 194 HA VAL 34 HA VAL 34 7.358 0.756 -4.611 195 HB VAL 34 HB VAL 34 6.017 -0.325 -7.030 196 HG11 VAL 34 1HG1 VAL 34 3.783 0.464 -6.013 197 HG12 VAL 34 2HG1 VAL 34 4.397 -1.138 -5.534 198 HG13 VAL 34 3HG1 VAL 34 4.580 0.251 -4.435 199 HG21 VAL 34 3HG2 VAL 34 5.613 2.352 -5.689 200 HG22 VAL 34 1HG2 VAL 34 7.046 2.012 -6.689 201 HG23 VAL 34 2HG2 VAL 34 5.419 1.915 -7.404 202 H ALA 35 H ALA 35 5.893 0.088 -2.895 203 HA ALA 35 HA ALA 35 5.978 -2.821 -2.463 204 HB1 ALA 35 3HB ALA 35 6.568 -0.476 -0.668 205 HB2 ALA 35 1HB ALA 35 5.896 -1.966 0.039 206 HB3 ALA 35 2HB ALA 35 7.441 -2.018 -0.844 207 H LEU 36 H LEU 36 3.988 -3.728 -2.515 208 HA LEU 36 HA LEU 36 1.713 -1.957 -2.015 209 HB3 LEU 36 2HB LEU 36 0.513 -4.023 -3.068 210 HG LEU 36 HG LEU 36 2.122 -1.960 -4.535 211 HD11 LEU 36 1HD1 LEU 36 1.564 -2.768 -6.671 212 HD12 LEU 36 2HD1 LEU 36 2.209 -4.177 -5.793 213 HD13 LEU 36 3HD1 LEU 36 0.451 -3.994 -6.013 214 HD21 LEU 36 3HD2 LEU 36 0.232 -0.835 -4.247 215 HD22 LEU 36 1HD2 LEU 36 -0.566 -1.985 -5.346 216 HD23 LEU 36 2HD2 LEU 36 -0.588 -2.272 -3.589 217 H THR 37 H THR 37 -0.048 -2.705 -0.650 218 HA THR 37 HA THR 37 0.483 -5.021 1.009 219 HB THR 37 HB THR 37 0.080 -3.331 3.044 220 HG1 THR 37 1HG THR 37 1.143 -1.849 0.752 221 HG21 THR 37 3HG2 THR 37 2.263 -4.650 2.449 222 HG22 THR 37 1HG2 THR 37 2.787 -3.146 1.654 223 HG23 THR 37 2HG2 THR 37 2.446 -3.157 3.400 224 H TRP 38 H TRP 38 -1.363 -6.111 0.705 225 HA TRP 38 HA TRP 38 -3.842 -4.540 0.894 226 HB3 TRP 38 2HB TRP 38 -3.557 -5.464 -1.314 227 HD1 TRP 38 HD TRP 38 -4.645 -8.886 -0.013 228 HE1 TRP 38 1HE TRP 38 -3.002 -10.798 -0.795 229 HE3 TRP 38 3HE TRP 38 -1.076 -5.779 -1.874 230 HZ2 TRP 38 2HZ TRP 38 -0.451 -10.796 -2.074 231 HZ3 TRP 38 3HZ TRP 38 0.960 -6.815 -2.872 232 HH2 TRP 38 HH TRP 38 1.303 -9.232 -2.989 233 H THR 39 H THR 39 -5.682 -5.795 1.927 234 HA THR 39 HA THR 39 -4.596 -7.432 4.114 235 HB THR 39 HB THR 39 -6.847 -6.723 5.174 236 HG1 THR 39 1HG THR 39 -6.698 -4.691 3.107 237 HG21 THR 39 3HG2 THR 39 -4.768 -5.452 5.736 238 HG22 THR 39 1HG2 THR 39 -4.963 -4.488 4.252 239 HG23 THR 39 2HG2 THR 39 -6.156 -4.350 5.566 240 HA PRO 40 HA PRO 40 -6.757 -10.886 2.775 241 HB3 PRO 40 2HB PRO 40 -5.771 -12.229 4.364 242 HG3 PRO 40 2HG PRO 40 -5.019 -11.112 6.237 243 HD3 PRO 40 2HD PRO 40 -4.727 -9.005 5.366 244 HA PRO 41 HA PRO 41 -10.981 -10.474 2.811 245 HB3 PRO 41 2HB PRO 41 -11.308 -12.054 1.169 246 HG3 PRO 41 2HG PRO 41 -9.646 -13.646 1.018 247 HD3 PRO 41 2HD PRO 41 -7.890 -12.491 1.949 248 H LYS 42 H LYS 42 -12.896 -10.368 4.009 249 HA LYS 42 HA LYS 42 -12.401 -10.979 6.761 250 HB3 LYS 42 2HB LYS 42 -15.007 -10.146 6.625 251 HG3 LYS 42 2HG LYS 42 -12.731 -8.156 6.404 252 HD3 LYS 42 2HD LYS 42 -14.065 -7.396 8.568 253 HE3 LYS 42 2HE LYS 42 -14.081 -6.562 5.943 254 HZ1 LYS 42 3HZ LYS 42 -16.842 -6.382 6.291 255 HZ2 LYS 42 1HZ LYS 42 -16.015 -6.991 5.021 256 HZ3 LYS 42 2HZ LYS 42 -16.424 -7.960 6.270 257 H ASP 43 H ASP 43 -13.401 -12.795 4.095 258 HA ASP 43 HA ASP 43 -14.824 -14.595 5.894 259 HB3 ASP 43 2HB ASP 43 -15.539 -15.197 3.194 260 H ASP 44 H ASP 44 -14.669 -16.973 5.033 261 HA ASP 44 HA ASP 44 -12.904 -17.706 3.083 262 HB3 ASP 44 2HB ASP 44 -10.997 -16.910 4.219 263 H GLY 45 H GLY 45 -14.063 -19.610 2.703 264 HA2 GLY 45 1HA GLY 45 -14.006 -21.725 4.620 265 HA3 GLY 45 2HA GLY 45 -15.600 -21.006 4.505 266 H ASN 46 H ASN 46 -16.110 -20.431 1.941 267 HA ASN 46 HA ASN 46 -16.087 -23.037 0.754 268 HB3 ASN 46 2HB ASN 46 -17.296 -21.177 -1.032 269 HD21 ASN 46 1HD2 ASN 46 -18.965 -21.770 1.946 270 HD22 ASN 46 2HD2 ASN 46 -19.892 -23.149 1.457 271 H ALA 47 H ALA 47 -14.108 -23.476 -0.291 272 HA ALA 47 HA ALA 47 -12.559 -23.363 -1.876 273 HB1 ALA 47 3HB ALA 47 -13.436 -22.626 -3.806 274 HB2 ALA 47 1HB ALA 47 -14.681 -21.725 -2.908 275 HB3 ALA 47 2HB ALA 47 -13.128 -20.948 -3.298 276 H ALA 48 H ALA 48 -10.808 -23.011 -0.514 277 HA ALA 48 HA ALA 48 -10.307 -20.619 0.817 278 HB1 ALA 48 3HB ALA 48 -8.683 -23.034 0.010 279 HB2 ALA 48 1HB ALA 48 -7.888 -21.639 0.779 280 HB3 ALA 48 2HB ALA 48 -9.188 -22.504 1.633 281 H ILE 49 H ILE 49 -8.897 -18.855 0.363 282 HA ILE 49 HA ILE 49 -8.960 -17.970 -2.278 283 HB ILE 49 HB ILE 49 -7.498 -17.091 0.195 284 HG13 ILE 49 2HG1 ILE 49 -10.081 -16.551 -1.059 285 HG21 ILE 49 1HG2 ILE 49 -5.964 -16.274 -1.296 286 HG22 ILE 49 2HG2 ILE 49 -7.149 -16.129 -2.617 287 HG23 ILE 49 3HG2 ILE 49 -7.144 -14.942 -1.291 288 HD11 ILE 49 3HD1 ILE 49 -10.622 -15.806 1.189 289 HD12 ILE 49 1HD1 ILE 49 -9.613 -17.266 1.335 290 HD13 ILE 49 2HD1 ILE 49 -8.898 -15.659 1.608 291 H THR 50 H THR 50 -8.052 -19.306 -3.819 292 HA THR 50 HA THR 50 -5.850 -20.879 -3.604 293 HB THR 50 HB THR 50 -7.184 -19.338 -5.846 294 HG1 THR 50 1HG THR 50 -8.148 -21.325 -5.692 295 HG21 THR 50 3HG2 THR 50 -5.748 -20.609 -7.462 296 HG22 THR 50 1HG2 THR 50 -4.789 -19.426 -6.541 297 HG23 THR 50 2HG2 THR 50 -4.726 -21.152 -6.109 298 H GLY 51 H GLY 51 -5.906 -17.345 -4.305 299 HA2 GLY 51 1HA GLY 51 -3.429 -16.892 -3.073 300 HA3 GLY 51 2HA GLY 51 -3.151 -17.083 -4.793 301 H TYR 52 H TYR 52 -2.502 -14.810 -4.888 302 HA TYR 52 HA TYR 52 -4.835 -13.083 -5.188 303 HB3 TYR 52 2HB TYR 52 -3.677 -11.353 -3.827 304 HD1 TYR 52 1HD TYR 52 -2.461 -14.656 -2.543 305 HD2 TYR 52 2HD TYR 52 -5.211 -11.414 -2.065 306 HE1 TYR 52 1HE TYR 52 -3.261 -15.649 -0.343 307 HE2 TYR 52 2HE TYR 52 -6.002 -12.418 0.133 308 HH TYR 52 HH TYR 52 -5.243 -13.877 1.819 309 H THR 53 H THR 53 -4.743 -12.408 -7.269 310 HA THR 53 HA THR 53 -2.193 -12.332 -8.625 311 HB THR 53 HB THR 53 -5.124 -11.961 -9.377 312 HG1 THR 53 1HG THR 53 -4.503 -13.916 -10.540 313 HG21 THR 53 3HG2 THR 53 -4.507 -11.569 -11.661 314 HG22 THR 53 1HG2 THR 53 -3.500 -10.424 -10.743 315 HG23 THR 53 2HG2 THR 53 -2.796 -11.944 -11.345 316 H ILE 54 H ILE 54 -0.982 -10.588 -9.172 317 HA ILE 54 HA ILE 54 -2.066 -8.001 -8.295 318 HB ILE 54 HB ILE 54 0.707 -9.154 -8.105 319 HG13 ILE 54 2HG1 ILE 54 -1.450 -8.965 -6.302 320 HG21 ILE 54 1HG2 ILE 54 1.400 -7.108 -8.782 321 HG22 ILE 54 2HG2 ILE 54 -0.133 -6.315 -8.349 322 HG23 ILE 54 3HG2 ILE 54 1.057 -6.700 -7.084 323 HD11 ILE 54 3HD1 ILE 54 0.799 -10.433 -6.521 324 HD12 ILE 54 1HD1 ILE 54 1.371 -9.260 -5.310 325 HD13 ILE 54 2HD1 ILE 54 -0.062 -10.261 -4.972 326 H GLN 55 H GLN 55 -1.824 -6.221 -9.679 327 HA GLN 55 HA GLN 55 -0.446 -6.728 -12.168 328 HB3 GLN 55 2HB GLN 55 -2.426 -5.792 -13.453 329 HG3 GLN 55 2HG GLN 55 -3.558 -8.193 -12.107 330 HE21 GLN 55 1HE2 GLN 55 -4.170 -9.747 -13.668 331 HE22 GLN 55 2HE2 GLN 55 -4.400 -9.325 -15.332 332 H LYS 56 H LYS 56 0.412 -4.831 -13.129 333 HA LYS 56 HA LYS 56 -0.012 -2.405 -11.527 334 HB3 LYS 56 2HB LYS 56 2.254 -3.501 -11.357 335 HG3 LYS 56 2HG LYS 56 2.891 -2.302 -14.041 336 HD3 LYS 56 2HD LYS 56 3.974 -4.464 -12.217 337 HE3 LYS 56 2HE LYS 56 4.675 -4.081 -15.168 338 HZ1 LYS 56 3HZ LYS 56 5.723 -6.085 -13.311 339 HZ2 LYS 56 1HZ LYS 56 6.300 -5.667 -14.780 340 HZ3 LYS 56 2HZ LYS 56 6.469 -4.646 -13.516 341 H ALA 57 H ALA 57 0.165 -0.338 -12.748 342 HA ALA 57 HA ALA 57 -0.071 -0.497 -15.604 343 HB1 ALA 57 3HB ALA 57 -2.354 -1.118 -14.914 344 HB2 ALA 57 1HB ALA 57 -2.456 0.347 -13.907 345 HB3 ALA 57 2HB ALA 57 -2.338 0.490 -15.677 346 H ASP 58 H ASP 58 -0.258 1.755 -16.545 347 HA ASP 58 HA ASP 58 0.909 3.635 -14.645 348 HB3 ASP 58 2HB ASP 58 1.301 4.229 -17.511 349 H LYS 59 H LYS 59 0.625 6.045 -15.803 350 HA LYS 59 HA LYS 59 -2.247 6.296 -16.144 351 HB3 LYS 59 2HB LYS 59 -1.248 8.844 -16.130 352 HG3 LYS 59 2HG LYS 59 -1.533 8.423 -13.473 353 HD3 LYS 59 2HD LYS 59 -3.111 9.535 -15.293 354 HE3 LYS 59 2HE LYS 59 -4.033 6.709 -15.167 355 HZ1 LYS 59 3HZ LYS 59 -6.165 7.112 -14.747 356 HZ2 LYS 59 1HZ LYS 59 -5.641 8.436 -13.947 357 HZ3 LYS 59 2HZ LYS 59 -6.182 8.571 -15.482 358 H LYS 60 H LYS 60 -0.228 5.188 -18.215 359 HA LYS 60 HA LYS 60 -0.250 7.190 -20.266 360 HB3 LYS 60 2HB LYS 60 0.470 4.943 -21.560 361 HG3 LYS 60 2HG LYS 60 1.857 7.018 -19.967 362 HD3 LYS 60 2HD LYS 60 2.830 4.261 -19.857 363 HE3 LYS 60 2HE LYS 60 4.000 5.521 -21.982 364 HZ1 LYS 60 3HZ LYS 60 4.948 7.267 -20.788 365 HZ2 LYS 60 1HZ LYS 60 5.456 6.310 -19.566 366 HZ3 LYS 60 2HZ LYS 60 6.179 6.221 -21.028 367 H SER 61 H SER 61 -1.810 3.930 -19.853 368 HA SER 61 HA SER 61 -4.154 5.022 -21.105 369 HB3 SER 61 2HB SER 61 -4.042 2.662 -22.491 370 HG SER 61 HG SER 61 -4.317 4.962 -23.279 371 H MET 62 H MET 62 -3.083 3.840 -18.460 372 HA MET 62 HA MET 62 -3.756 2.535 -16.857 373 HB3 MET 62 2HB MET 62 -6.239 1.913 -16.856 374 HG3 MET 62 2HG MET 62 -7.089 4.242 -16.933 375 HE1 MET 62 3HE MET 62 -6.235 3.733 -13.471 376 HE2 MET 62 1HE MET 62 -7.149 3.142 -14.881 377 HE3 MET 62 2HE MET 62 -5.683 2.285 -14.348 378 H GLU 63 H GLU 63 -2.309 1.255 -18.993 379 HA GLU 63 HA GLU 63 -3.629 -1.158 -19.649 380 HB3 GLU 63 2HB GLU 63 -1.465 -1.793 -20.655 381 HG3 GLU 63 2HG GLU 63 -1.311 1.033 -21.405 382 H TRP 64 H TRP 64 -3.670 -3.089 -18.542 383 HA TRP 64 HA TRP 64 -2.058 -3.186 -16.088 384 HB3 TRP 64 2HB TRP 64 -3.730 -4.754 -15.252 385 HD1 TRP 64 HD TRP 64 -6.089 -2.404 -17.165 386 HE1 TRP 64 1HE TRP 64 -6.999 -0.476 -15.611 387 HE3 TRP 64 3HE TRP 64 -3.042 -3.426 -13.224 388 HZ2 TRP 64 2HZ TRP 64 -6.357 0.387 -12.968 389 HZ3 TRP 64 3HZ TRP 64 -3.247 -1.992 -11.195 390 HH2 TRP 64 HH TRP 64 -4.834 -0.140 -11.028 391 H PHE 65 H PHE 65 -0.547 -4.823 -15.874 392 HA PHE 65 HA PHE 65 -0.630 -6.941 -17.898 393 HB3 PHE 65 2HB PHE 65 2.084 -6.415 -17.211 394 HD1 PHE 65 1HD PHE 65 1.454 -7.995 -19.267 395 HD2 PHE 65 2HD PHE 65 1.368 -3.753 -19.345 396 HE1 PHE 65 1HE PHE 65 1.677 -8.036 -21.767 397 HE2 PHE 65 2HE PHE 65 1.592 -3.793 -21.845 398 HZ PHE 65 HZ PHE 65 1.744 -5.935 -23.026 399 H THR 66 H THR 66 -0.793 -8.887 -16.899 400 HA THR 66 HA THR 66 -0.798 -9.399 -14.271 401 HB THR 66 HB THR 66 0.349 -11.161 -16.503 402 HG1 THR 66 1HG THR 66 -1.822 -11.326 -16.995 403 HG21 THR 66 3HG2 THR 66 -1.348 -12.354 -14.390 404 HG22 THR 66 1HG2 THR 66 0.184 -12.951 -15.072 405 HG23 THR 66 2HG2 THR 66 0.203 -11.746 -13.763 406 H VAL 67 H VAL 67 0.517 -9.240 -12.572 407 HA VAL 67 HA VAL 67 3.369 -8.935 -13.159 408 HB VAL 67 HB VAL 67 1.561 -8.028 -10.933 409 HG11 VAL 67 1HG1 VAL 67 4.140 -7.093 -10.343 410 HG12 VAL 67 2HG1 VAL 67 3.196 -8.297 -9.435 411 HG13 VAL 67 3HG1 VAL 67 4.341 -8.827 -10.691 412 HG21 VAL 67 3HG2 VAL 67 1.720 -6.577 -12.888 413 HG22 VAL 67 1HG2 VAL 67 2.519 -5.819 -11.490 414 HG23 VAL 67 2HG2 VAL 67 3.496 -6.577 -12.771 415 H ILE 68 H ILE 68 0.995 -10.648 -11.037 416 HA ILE 68 HA ILE 68 2.752 -12.919 -10.981 417 HB ILE 68 HB ILE 68 3.168 -11.056 -9.018 418 HG13 ILE 68 2HG1 ILE 68 4.338 -13.321 -9.823 419 HG21 ILE 68 1HG2 ILE 68 2.207 -11.769 -6.975 420 HG22 ILE 68 2HG2 ILE 68 0.865 -11.611 -8.134 421 HG23 ILE 68 3HG2 ILE 68 1.502 -13.222 -7.725 422 HD11 ILE 68 3HD1 ILE 68 4.814 -12.410 -6.972 423 HD12 ILE 68 1HD1 ILE 68 6.004 -12.891 -8.206 424 HD13 ILE 68 2HD1 ILE 68 5.171 -11.323 -8.336 425 H GLU 69 H GLU 69 1.580 -14.805 -10.801 426 HA GLU 69 HA GLU 69 -1.219 -14.438 -10.067 427 HB3 GLU 69 2HB GLU 69 -1.759 -16.202 -11.801 428 HG3 GLU 69 2HG GLU 69 -0.579 -14.342 -13.639 429 H HIS 70 H HIS 70 -2.140 -16.067 -8.765 430 HA HIS 70 HA HIS 70 -2.208 -17.749 -7.358 431 HB3 HIS 70 2HB HIS 70 -1.331 -19.841 -7.947 432 HD1 HIS 70 1HD HIS 70 -3.390 -20.345 -9.339 433 HD2 HIS 70 2HD HIS 70 -0.611 -17.935 -11.354 434 HE1 HIS 70 1HE HIS 70 -4.211 -20.169 -11.749 435 H TYR 71 H TYR 71 -1.039 -15.639 -6.283 436 HA TYR 71 HA TYR 71 1.627 -16.279 -5.372 437 HB3 TYR 71 2HB TYR 71 -0.211 -14.122 -4.255 438 HD1 TYR 71 2HD TYR 71 3.033 -14.769 -6.038 439 HD2 TYR 71 1HD TYR 71 0.964 -12.539 -3.029 440 HE1 TYR 71 2HE TYR 71 5.213 -13.654 -5.355 441 HE2 TYR 71 1HE TYR 71 3.151 -11.432 -2.356 442 HH TYR 71 HH TYR 71 6.091 -12.601 -3.180 443 H HIS 72 H HIS 72 1.529 -15.249 -2.740 444 HA HIS 72 HA HIS 72 -0.389 -16.948 -1.371 445 HB3 HIS 72 2HB HIS 72 2.597 -17.243 -1.285 446 HD1 HIS 72 1HD HIS 72 0.034 -19.126 0.797 447 HD2 HIS 72 2HD HIS 72 3.362 -16.626 1.322 448 HE1 HIS 72 1HE HIS 72 0.591 -19.190 3.287 449 H ARG 73 H ARG 73 2.579 -15.009 -0.558 450 HA ARG 73 HA ARG 73 1.637 -13.995 1.751 451 HB3 ARG 73 2HB ARG 73 3.200 -12.048 0.115 452 HG3 ARG 73 2HG ARG 73 2.918 -12.613 2.808 453 HD3 ARG 73 2HD ARG 73 4.913 -14.451 1.764 454 HE ARG 73 HE ARG 73 6.029 -12.115 3.130 455 HH11 ARG 73 2HH2 ARG 73 6.396 -15.572 2.586 456 HH12 ARG 73 1HH2 ARG 73 8.090 -15.578 2.945 457 HH21 ARG 73 2HH1 ARG 73 8.264 -12.123 3.604 458 HH22 ARG 73 1HH1 ARG 73 9.160 -13.603 3.528 459 H THR 74 H THR 74 1.281 -11.412 2.067 460 HA THR 74 HA THR 74 -0.899 -10.698 0.222 461 HB THR 74 HB THR 74 -1.698 -9.363 2.230 462 HG1 THR 74 1HG THR 74 -0.190 -9.221 3.843 463 HG21 THR 74 3HG2 THR 74 -2.810 -11.212 2.992 464 HG22 THR 74 1HG2 THR 74 -1.785 -12.187 1.910 465 HG23 THR 74 2HG2 THR 74 -1.296 -11.923 3.601 466 H SER 75 H SER 75 2.286 -10.191 0.421 467 HA SER 75 HA SER 75 1.936 -7.471 -0.516 468 HB3 SER 75 2HB SER 75 2.919 -6.672 1.365 469 HG SER 75 HG SER 75 2.587 -8.582 2.591 470 H ALA 76 H ALA 76 3.497 -6.850 -2.148 471 HA ALA 76 HA ALA 76 5.547 -8.758 -2.848 472 HB1 ALA 76 3HB ALA 76 4.713 -9.288 -5.013 473 HB2 ALA 76 1HB ALA 76 3.336 -9.524 -3.912 474 HB3 ALA 76 2HB ALA 76 3.435 -8.053 -4.911 475 H THR 77 H THR 77 7.297 -7.705 -3.730 476 HA THR 77 HA THR 77 7.084 -4.827 -3.917 477 HB THR 77 HB THR 77 9.387 -6.835 -4.135 478 HG1 THR 77 1HG THR 77 8.421 -4.854 -2.195 479 HG21 THR 77 3HG2 THR 77 9.849 -4.619 -5.327 480 HG22 THR 77 1HG2 THR 77 9.500 -3.796 -3.787 481 HG23 THR 77 2HG2 THR 77 10.883 -4.911 -3.908 482 H ILE 78 H ILE 78 6.943 -3.605 -5.709 483 HA ILE 78 HA ILE 78 6.896 -5.075 -8.233 484 HB ILE 78 HB ILE 78 5.878 -2.303 -7.612 485 HG13 ILE 78 2HG1 ILE 78 3.770 -3.144 -7.151 486 HG21 ILE 78 1HG2 ILE 78 4.499 -2.805 -9.703 487 HG22 ILE 78 2HG2 ILE 78 6.228 -2.447 -9.929 488 HG23 ILE 78 3HG2 ILE 78 5.650 -4.129 -10.003 489 HD11 ILE 78 3HD1 ILE 78 3.704 -4.709 -9.133 490 HD12 ILE 78 1HD1 ILE 78 4.651 -5.878 -8.182 491 HD13 ILE 78 2HD1 ILE 78 3.017 -5.413 -7.650 492 H THR 79 H THR 79 7.761 -3.784 -10.183 493 HA THR 79 HA THR 79 9.872 -1.925 -9.573 494 HB THR 79 HB THR 79 10.895 -4.183 -9.074 495 HG1 THR 79 1HG THR 79 12.383 -2.697 -9.902 496 HG21 THR 79 3HG2 THR 79 11.426 -5.134 -11.662 497 HG22 THR 79 1HG2 THR 79 10.335 -5.905 -10.485 498 HG23 THR 79 2HG2 THR 79 9.681 -4.785 -11.705 499 H GLU 80 H GLU 80 11.241 -2.570 -12.142 500 HA GLU 80 HA GLU 80 11.164 -1.734 -14.155 501 HB3 GLU 80 2HB GLU 80 8.784 -2.495 -15.329 502 HG3 GLU 80 2HG GLU 80 10.499 -4.825 -14.918 503 H LEU 81 H LEU 81 10.451 0.193 -12.252 504 HA LEU 81 HA LEU 81 8.217 1.599 -13.533 505 HB3 LEU 81 2HB LEU 81 8.218 2.945 -11.420 506 HG LEU 81 HG LEU 81 7.789 -0.031 -11.036 507 HD11 LEU 81 1HD1 LEU 81 6.660 0.392 -9.056 508 HD12 LEU 81 2HD1 LEU 81 8.045 1.505 -8.961 509 HD13 LEU 81 3HD1 LEU 81 6.440 2.118 -9.424 510 HD21 LEU 81 3HD2 LEU 81 6.422 1.796 -12.689 511 HD22 LEU 81 1HD2 LEU 81 5.938 0.142 -12.244 512 HD23 LEU 81 2HD2 LEU 81 5.379 1.524 -11.272 513 H VAL 82 H VAL 82 8.496 3.722 -14.297 514 HA VAL 82 HA VAL 82 11.315 4.468 -14.594 515 HB VAL 82 HB VAL 82 8.845 5.036 -16.232 516 HG11 VAL 82 1HG1 VAL 82 11.226 5.968 -17.523 517 HG12 VAL 82 2HG1 VAL 82 9.774 6.886 -17.058 518 HG13 VAL 82 3HG1 VAL 82 11.124 6.714 -15.910 519 HG21 VAL 82 3HG2 VAL 82 9.907 2.821 -16.539 520 HG22 VAL 82 1HG2 VAL 82 10.025 3.839 -17.995 521 HG23 VAL 82 2HG2 VAL 82 11.442 3.629 -16.939 522 H ILE 83 H ILE 83 11.946 5.903 -13.061 523 HA ILE 83 HA ILE 83 10.393 7.336 -11.395 524 HB ILE 83 HB ILE 83 13.060 8.082 -12.594 525 HG13 ILE 83 2HG1 ILE 83 12.566 5.867 -11.207 526 HG21 ILE 83 1HG2 ILE 83 12.180 10.093 -11.686 527 HG22 ILE 83 2HG2 ILE 83 11.569 9.257 -10.239 528 HG23 ILE 83 3HG2 ILE 83 13.322 9.441 -10.487 529 HD11 ILE 83 3HD1 ILE 83 14.802 6.010 -11.698 530 HD12 ILE 83 1HD1 ILE 83 14.869 7.752 -11.339 531 HD13 ILE 83 2HD1 ILE 83 14.934 6.567 -10.012 532 H GLY 84 H GLY 84 9.534 9.485 -11.301 533 HA2 GLY 84 1HA GLY 84 8.691 11.418 -12.134 534 HA3 GLY 84 2HA GLY 84 9.565 11.160 -13.632 535 H ASN 85 H ASN 85 7.014 9.268 -11.849 536 HA ASN 85 HA ASN 85 5.036 9.865 -13.708 537 HB3 ASN 85 2HB ASN 85 5.047 7.151 -14.312 538 HD21 ASN 85 1HD2 ASN 85 7.529 7.879 -16.207 539 HD22 ASN 85 2HD2 ASN 85 6.776 8.773 -17.485 540 H GLU 86 H GLU 86 3.039 8.373 -13.262 541 HA GLU 86 HA GLU 86 3.301 7.242 -10.583 542 HB3 GLU 86 2HB GLU 86 2.016 9.402 -10.647 543 HG3 GLU 86 2HG GLU 86 -0.162 7.844 -12.079 544 H TYR 87 H TYR 87 2.252 5.244 -10.182 545 HA TYR 87 HA TYR 87 0.920 4.052 -12.515 546 HB3 TYR 87 2HB TYR 87 2.176 1.967 -11.897 547 HD1 TYR 87 2HD TYR 87 4.513 4.622 -10.762 548 HD2 TYR 87 1HD TYR 87 3.217 2.191 -14.036 549 HE1 TYR 87 2HE TYR 87 6.538 5.351 -12.114 550 HE2 TYR 87 1HE TYR 87 5.248 2.928 -15.377 551 HH TYR 87 HH TYR 87 6.757 5.054 -15.333 552 H TYR 88 H TYR 88 -0.595 2.301 -11.985 553 HA TYR 88 HA TYR 88 -1.671 2.658 -9.272 554 HB3 TYR 88 2HB TYR 88 -3.723 1.623 -10.638 555 HD1 TYR 88 2HD TYR 88 -3.905 3.717 -8.919 556 HD2 TYR 88 1HD TYR 88 -3.194 4.001 -13.129 557 HE1 TYR 88 2HE TYR 88 -4.804 6.095 -8.918 558 HE2 TYR 88 1HE TYR 88 -4.095 6.379 -13.112 559 HH TYR 88 HH TYR 88 -5.165 7.888 -11.944 560 H PHE 89 H PHE 89 -3.103 0.603 -8.663 561 HA PHE 89 HA PHE 89 -2.040 -1.873 -9.624 562 HB3 PHE 89 2HB PHE 89 -1.082 -2.497 -7.399 563 HD1 PHE 89 2HD PHE 89 0.606 -2.323 -9.383 564 HD2 PHE 89 1HD PHE 89 -0.146 0.817 -6.629 565 HE1 PHE 89 2HE PHE 89 2.816 -1.284 -9.963 566 HE2 PHE 89 1HE PHE 89 2.064 1.855 -7.209 567 HZ PHE 89 HZ PHE 89 3.519 0.793 -8.869 568 H ARG 90 H ARG 90 -3.394 -3.628 -9.105 569 HA ARG 90 HA ARG 90 -5.493 -3.072 -7.201 570 HB3 ARG 90 2HB ARG 90 -6.567 -2.455 -9.286 571 HG3 ARG 90 2HG ARG 90 -4.892 -4.633 -10.351 572 HD3 ARG 90 2HD ARG 90 -7.789 -4.945 -10.534 573 HE ARG 90 HE ARG 90 -7.905 -3.892 -12.658 574 HH11 ARG 90 2HH2 ARG 90 -5.225 -6.169 -12.533 575 HH12 ARG 90 1HH2 ARG 90 -4.961 -6.149 -14.244 576 HH21 ARG 90 2HH1 ARG 90 -7.557 -3.866 -14.916 577 HH22 ARG 90 1HH1 ARG 90 -6.297 -4.831 -15.609 578 H VAL 91 H VAL 91 -5.642 -4.820 -5.827 579 HA VAL 91 HA VAL 91 -4.466 -7.330 -6.744 580 HB VAL 91 HB VAL 91 -5.205 -6.285 -4.004 581 HG11 VAL 91 1HG1 VAL 91 -5.469 -8.747 -4.174 582 HG12 VAL 91 2HG1 VAL 91 -3.780 -8.869 -4.723 583 HG13 VAL 91 3HG1 VAL 91 -4.143 -8.270 -3.086 584 HG21 VAL 91 3HG2 VAL 91 -2.491 -6.793 -4.041 585 HG22 VAL 91 1HG2 VAL 91 -2.790 -6.135 -5.668 586 HG23 VAL 91 2HG2 VAL 91 -3.254 -5.196 -4.229 587 H PHE 92 H PHE 92 -5.667 -9.163 -7.081 588 HA PHE 92 HA PHE 92 -8.548 -8.845 -6.691 589 HB3 PHE 92 2HB PHE 92 -8.349 -10.984 -8.292 590 HD1 PHE 92 1HD PHE 92 -9.967 -8.680 -8.424 591 HD2 PHE 92 2HD PHE 92 -6.344 -9.427 -10.501 592 HE1 PHE 92 1HE PHE 92 -10.669 -7.077 -10.224 593 HE2 PHE 92 2HE PHE 92 -7.045 -7.825 -12.302 594 HZ PHE 92 HZ PHE 92 -9.199 -6.669 -12.142 595 H SER 93 H SER 93 -9.426 -11.453 -6.726 596 HA SER 93 HA SER 93 -7.995 -12.673 -4.501 597 HB3 SER 93 2HB SER 93 -10.277 -13.350 -3.595 598 HG SER 93 HG SER 93 -9.887 -10.488 -3.818 599 H GLU 94 H GLU 94 -7.067 -14.381 -5.662 600 HA GLU 94 HA GLU 94 -8.492 -15.686 -7.708 601 HB3 GLU 94 2HB GLU 94 -6.458 -17.419 -7.106 602 HG3 GLU 94 2HG GLU 94 -6.306 -14.743 -8.568 603 H ASN 95 H ASN 95 -9.052 -18.051 -7.712 604 HA ASN 95 HA ASN 95 -9.128 -19.597 -5.481 605 HB3 ASN 95 2HB ASN 95 -10.642 -18.091 -4.350 606 HD21 ASN 95 1HD2 ASN 95 -13.448 -18.068 -4.813 607 HD22 ASN 95 2HD2 ASN 95 -13.801 -16.901 -6.043 608 H MET 96 H MET 96 -11.413 -21.145 -5.785 609 HA MET 96 HA MET 96 -11.006 -22.536 -8.051 610 HB3 MET 96 2HB MET 96 -13.337 -23.457 -7.625 611 HG3 MET 96 2HG MET 96 -12.953 -24.184 -5.305 612 HE1 MET 96 3HE MET 96 -10.238 -26.496 -5.204 613 HE2 MET 96 1HE MET 96 -11.823 -25.873 -4.684 614 HE3 MET 96 2HE MET 96 -11.679 -26.772 -6.213 615 H CYS 97 H CYS 97 -13.317 -19.807 -7.542 616 HA CYS 97 HA CYS 97 -14.563 -20.015 -10.025 617 HB3 CYS 97 2HB CYS 97 -14.442 -17.271 -9.108 618 HG CYS 97 HG CYS 97 -16.979 -18.981 -8.237 619 H GLY 98 H GLY 98 -12.372 -17.300 -9.011 620 HA2 GLY 98 1HA GLY 98 -10.327 -17.635 -10.820 621 HA3 GLY 98 2HA GLY 98 -11.578 -16.784 -11.705 622 H LEU 99 H LEU 99 -11.232 -14.612 -11.734 623 HA LEU 99 HA LEU 99 -9.885 -13.435 -9.426 624 HB3 LEU 99 2HB LEU 99 -9.641 -11.477 -10.989 625 HG LEU 99 HG LEU 99 -7.923 -12.438 -12.451 626 HD11 LEU 99 1HD1 LEU 99 -7.244 -11.878 -10.225 627 HD12 LEU 99 2HD1 LEU 99 -7.885 -13.410 -9.584 628 HD13 LEU 99 3HD1 LEU 99 -6.473 -13.421 -10.668 629 HD21 LEU 99 3HD2 LEU 99 -7.471 -14.765 -12.616 630 HD22 LEU 99 1HD2 LEU 99 -8.667 -15.159 -11.359 631 HD23 LEU 99 2HD2 LEU 99 -9.207 -14.550 -12.942 632 H SER 100 H SER 100 -10.929 -12.131 -7.997 633 HA SER 100 HA SER 100 -13.586 -12.119 -7.746 634 HB3 SER 100 2HB SER 100 -12.329 -11.303 -5.919 635 HG SER 100 HG SER 100 -11.395 -8.896 -6.881 636 H GLU 101 H GLU 101 -15.338 -10.632 -8.249 637 HA GLU 101 HA GLU 101 -15.559 -9.847 -10.771 638 HB3 GLU 101 2HB GLU 101 -16.938 -7.858 -9.210 639 HG3 GLU 101 2HG GLU 101 -18.429 -10.327 -9.766 640 H ASP 102 H ASP 102 -13.777 -8.176 -8.209 641 HA ASP 102 HA ASP 102 -12.577 -6.517 -10.167 642 HB3 ASP 102 2HB ASP 102 -14.225 -5.240 -7.931 643 H ALA 103 H ALA 103 -10.955 -4.924 -8.866 644 HA ALA 103 HA ALA 103 -10.101 -6.307 -6.417 645 HB1 ALA 103 3HB ALA 103 -8.369 -7.006 -7.719 646 HB2 ALA 103 1HB ALA 103 -8.665 -5.763 -8.958 647 HB3 ALA 103 2HB ALA 103 -7.768 -5.348 -7.476 648 H THR 104 H THR 104 -9.198 -4.959 -4.777 649 HA THR 104 HA THR 104 -10.235 -2.291 -4.820 650 HB THR 104 HB THR 104 -8.802 -4.131 -2.886 651 HG1 THR 104 1HG THR 104 -10.844 -3.806 -1.903 652 HG21 THR 104 3HG2 THR 104 -7.835 -2.351 -1.809 653 HG22 THR 104 1HG2 THR 104 -8.637 -1.182 -2.885 654 HG23 THR 104 2HG2 THR 104 -9.492 -1.807 -1.454 655 H MET 105 H MET 105 -9.321 -0.806 -6.118 656 HA MET 105 HA MET 105 -6.507 -0.901 -6.570 657 HB3 MET 105 2HB MET 105 -8.293 1.434 -7.338 658 HG3 MET 105 2HG MET 105 -6.043 -0.133 -8.673 659 HE1 MET 105 3HE MET 105 -7.496 3.567 -10.735 660 HE2 MET 105 1HE MET 105 -6.735 3.348 -9.142 661 HE3 MET 105 2HE MET 105 -5.792 3.068 -10.626 662 H THR 106 H THR 106 -4.917 0.528 -5.795 663 HA THR 106 HA THR 106 -5.220 1.590 -3.276 664 HB THR 106 HB THR 106 -3.081 2.851 -3.952 665 HG1 THR 106 1HG THR 106 -3.949 2.981 -6.240 666 HG21 THR 106 3HG2 THR 106 -3.556 -0.069 -4.082 667 HG22 THR 106 1HG2 THR 106 -2.183 0.450 -5.089 668 HG23 THR 106 2HG2 THR 106 -2.199 0.818 -3.347 669 H LYS 107 H LYS 107 -6.305 3.244 -2.429 670 HA LYS 107 HA LYS 107 -7.994 4.854 -3.746 671 HB3 LYS 107 2HB LYS 107 -6.863 6.418 -1.641 672 HG3 LYS 107 2HG LYS 107 -9.006 5.073 -0.552 673 HD3 LYS 107 2HD LYS 107 -9.165 7.315 -2.622 674 HE3 LYS 107 2HE LYS 107 -11.027 7.813 -0.629 675 HZ1 LYS 107 3HZ LYS 107 -11.635 8.059 -2.821 676 HZ2 LYS 107 1HZ LYS 107 -11.223 6.537 -3.248 677 HZ3 LYS 107 2HZ LYS 107 -12.564 6.799 -2.353 678 H GLU 108 H GLU 108 -4.455 5.194 -3.523 679 HA GLU 108 HA GLU 108 -4.714 7.376 -5.431 680 HB3 GLU 108 2HB GLU 108 -4.131 8.432 -3.324 681 HG3 GLU 108 2HG GLU 108 -1.852 6.398 -3.215 682 H SER 109 H SER 109 -2.168 7.787 -6.246 683 HA SER 109 HA SER 109 -1.384 5.121 -7.118 684 HB3 SER 109 2HB SER 109 -2.096 6.675 -8.918 685 HG SER 109 HG SER 109 -0.717 8.496 -7.525 686 H ALA 110 H ALA 110 1.083 4.943 -7.621 687 HA ALA 110 HA ALA 110 2.491 6.097 -5.336 688 HB1 ALA 110 3HB ALA 110 4.196 4.311 -5.999 689 HB2 ALA 110 1HB ALA 110 2.621 3.712 -5.427 690 HB3 ALA 110 2HB ALA 110 2.988 3.726 -7.168 691 H VAL 111 H VAL 111 3.663 7.912 -5.674 692 HA VAL 111 HA VAL 111 4.519 8.467 -8.410 693 HB VAL 111 HB VAL 111 4.325 10.192 -5.934 694 HG11 VAL 111 1HG1 VAL 111 6.057 10.597 -8.028 695 HG12 VAL 111 2HG1 VAL 111 4.622 11.515 -8.549 696 HG13 VAL 111 3HG1 VAL 111 5.390 11.875 -6.984 697 HG21 VAL 111 3HG2 VAL 111 2.441 9.474 -8.052 698 HG22 VAL 111 1HG2 VAL 111 2.158 10.284 -6.491 699 HG23 VAL 111 2HG2 VAL 111 2.669 11.234 -7.908 700 H ILE 112 H ILE 112 6.585 8.093 -9.016 701 HA ILE 112 HA ILE 112 8.457 7.201 -7.053 702 HB ILE 112 HB ILE 112 8.852 7.769 -9.992 703 HG13 ILE 112 2HG1 ILE 112 8.378 5.398 -10.360 704 HG21 ILE 112 1HG2 ILE 112 10.461 6.274 -7.923 705 HG22 ILE 112 2HG2 ILE 112 10.624 5.952 -9.666 706 HG23 ILE 112 3HG2 ILE 112 10.979 7.574 -9.024 707 HD11 ILE 112 3HD1 ILE 112 8.605 5.256 -7.503 708 HD12 ILE 112 1HD1 ILE 112 6.931 4.828 -7.931 709 HD13 ILE 112 2HD1 ILE 112 8.290 3.927 -8.645 710 H ALA 113 H ALA 113 10.255 8.257 -6.220 711 HA ALA 113 HA ALA 113 10.626 11.030 -7.100 712 HB1 ALA 113 3HB ALA 113 10.465 10.044 -4.222 713 HB2 ALA 113 1HB ALA 113 10.853 11.704 -4.736 714 HB3 ALA 113 2HB ALA 113 9.238 11.028 -5.057 715 H ARG 114 H ARG 114 11.886 8.063 -7.154 716 HA ARG 114 HA ARG 114 13.855 7.136 -6.828 717 HB3 ARG 114 2HB ARG 114 14.246 8.156 -8.971 718 HG3 ARG 114 2HG ARG 114 14.685 10.717 -7.374 719 HD3 ARG 114 2HD ARG 114 15.058 10.397 -10.382 720 HE ARG 114 HE ARG 114 15.031 12.656 -8.594 721 HH11 ARG 114 2HH2 ARG 114 16.786 11.364 -11.357 722 HH12 ARG 114 1HH2 ARG 114 17.293 12.920 -11.925 723 HH21 ARG 114 2HH1 ARG 114 15.697 14.709 -9.344 724 HH22 ARG 114 1HH1 ARG 114 16.669 14.835 -10.772 725 H ASP 115 H ASP 115 13.682 7.443 -4.378 726 HA ASP 115 HA ASP 115 16.101 8.516 -3.448 727 HB3 ASP 115 2HB ASP 115 13.821 9.818 -2.015 728 H GLY 116 H GLY 116 16.100 8.290 -0.877 729 HA2 GLY 116 1HA GLY 116 14.461 5.928 -0.204 730 HA3 GLY 116 2HA GLY 116 16.043 6.305 0.449 731 H LYS 117 H LYS 117 12.628 7.477 0.307 732 HA LYS 117 HA LYS 117 12.933 9.400 2.330 733 HB3 LYS 117 2HB LYS 117 10.251 8.438 2.259 734 HG3 LYS 117 2HG LYS 117 10.342 10.621 0.577 735 HD3 LYS 117 2HD LYS 117 10.774 11.337 3.425 736 HE3 LYS 117 2HE LYS 117 8.275 11.517 1.681 737 HZ1 LYS 117 3HZ LYS 117 7.972 12.031 3.976 738 HZ2 LYS 117 1HZ LYS 117 9.254 13.042 3.994 739 HZ3 LYS 117 2HZ LYS 117 7.925 13.426 3.128 740 H ILE 118 H ILE 118 11.302 9.101 4.383 741 HA ILE 118 HA ILE 118 12.546 6.964 5.860 742 HB ILE 118 HB ILE 118 11.947 9.485 6.499 743 HG13 ILE 118 2HG1 ILE 118 13.209 7.539 7.729 744 HG21 ILE 118 1HG2 ILE 118 9.455 8.823 6.291 745 HG22 ILE 118 2HG2 ILE 118 9.694 8.036 7.869 746 HG23 ILE 118 3HG2 ILE 118 9.978 9.784 7.694 747 HD11 ILE 118 3HD1 ILE 118 11.889 9.795 9.304 748 HD12 ILE 118 1HD1 ILE 118 13.403 8.955 9.718 749 HD13 ILE 118 2HD1 ILE 118 13.327 9.993 8.274 750 H TYR 119 H TYR 119 10.508 6.305 7.701 751 HA TYR 119 HA TYR 119 8.969 4.511 6.024 752 HB3 TYR 119 2HB TYR 119 8.313 3.878 8.564 753 HD1 TYR 119 1HD TYR 119 11.860 4.450 7.449 754 HD2 TYR 119 2HD TYR 119 8.832 1.625 8.523 755 HE1 TYR 119 1HE TYR 119 13.511 2.545 7.121 756 HE2 TYR 119 2HE TYR 119 10.493 -0.271 8.192 757 HH TYR 119 HH TYR 119 12.799 -0.655 8.160 758 H LYS 120 H LYS 120 8.287 7.364 5.874 759 HA LYS 120 HA LYS 120 5.499 7.100 6.295 760 HB3 LYS 120 2HB LYS 120 6.341 9.431 7.859 761 HG3 LYS 120 2HG LYS 120 4.600 7.060 8.647 762 HD3 LYS 120 2HD LYS 120 4.240 10.012 9.284 763 HE3 LYS 120 2HE LYS 120 3.447 8.196 11.369 764 HZ1 LYS 120 3HZ LYS 120 2.518 10.391 10.560 765 HZ2 LYS 120 1HZ LYS 120 1.655 9.523 9.481 766 HZ3 LYS 120 2HZ LYS 120 1.446 9.275 11.082 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -11.880 -49.094 10.519 2 HA2 GLY 1 1HA GLY 1 -11.656 -46.706 11.531 3 HA3 GLY 1 2HA GLY 1 -12.074 -46.233 9.895 4 H SER 2 H SER 2 -13.409 -46.579 12.859 5 HA SER 2 HA SER 2 -16.003 -47.027 11.694 6 HB3 SER 2 2HB SER 2 -15.615 -49.261 12.410 7 HG SER 2 HG SER 2 -13.879 -48.165 14.130 8 H SER 3 H SER 3 -17.036 -45.144 12.256 9 HA SER 3 HA SER 3 -17.463 -44.530 14.930 10 HB3 SER 3 2HB SER 3 -15.821 -42.351 13.637 11 HG SER 3 HG SER 3 -16.059 -43.224 16.388 12 H GLY 4 H GLY 4 -19.212 -43.042 15.108 13 HA2 GLY 4 1HA GLY 4 -19.993 -41.582 12.687 14 HA3 GLY 4 2HA GLY 4 -21.106 -42.767 13.339 15 H SER 5 H SER 5 -19.716 -39.566 13.702 16 HA SER 5 HA SER 5 -21.806 -38.742 15.325 17 HB3 SER 5 2HB SER 5 -19.947 -38.085 17.237 18 HG SER 5 HG SER 5 -21.116 -40.664 17.500 19 H SER 6 H SER 6 -21.654 -37.281 13.427 20 HA SER 6 HA SER 6 -20.412 -34.903 14.076 21 HB3 SER 6 2HB SER 6 -18.315 -36.051 13.434 22 HG SER 6 HG SER 6 -18.056 -37.051 11.509 23 H GLY 7 H GLY 7 -20.757 -33.233 12.288 24 HA2 GLY 7 1HA GLY 7 -21.682 -32.901 10.051 25 HA3 GLY 7 2HA GLY 7 -22.866 -34.139 10.418 26 H ALA 8 H ALA 8 -22.446 -30.843 10.193 27 HA ALA 8 HA ALA 8 -24.936 -30.247 11.288 28 HB1 ALA 8 3HB ALA 8 -23.838 -28.698 13.151 29 HB2 ALA 8 1HB ALA 8 -24.244 -30.396 13.493 30 HB3 ALA 8 2HB ALA 8 -22.566 -29.942 13.110 31 H SER 9 H SER 9 -25.614 -28.434 10.230 32 HA SER 9 HA SER 9 -23.554 -26.976 8.823 33 HB3 SER 9 2HB SER 9 -25.950 -25.916 7.961 34 HG SER 9 HG SER 9 -24.495 -28.253 7.094 35 H ILE 10 H ILE 10 -22.875 -24.976 9.517 36 HA ILE 10 HA ILE 10 -24.484 -23.701 11.601 37 HB ILE 10 HB ILE 10 -22.331 -22.381 11.927 38 HG13 ILE 10 2HG1 ILE 10 -21.501 -23.369 9.599 39 HG21 ILE 10 1HG2 ILE 10 -21.365 -24.116 13.332 40 HG22 ILE 10 2HG2 ILE 10 -23.141 -24.130 13.451 41 HG23 ILE 10 3HG2 ILE 10 -22.305 -25.362 12.476 42 HD11 ILE 10 3HD1 ILE 10 -19.398 -22.527 10.148 43 HD12 ILE 10 1HD1 ILE 10 -20.375 -21.804 11.449 44 HD13 ILE 10 2HD1 ILE 10 -19.410 -23.266 11.767 45 H ASP 11 H ASP 11 -26.019 -22.443 10.617 46 HA ASP 11 HA ASP 11 -26.879 -20.814 9.478 47 HB3 ASP 11 2HB ASP 11 -25.210 -18.960 8.639 48 H ILE 12 H ILE 12 -27.216 -20.034 7.194 49 HA ILE 12 HA ILE 12 -26.453 -21.996 5.311 50 HB ILE 12 HB ILE 12 -27.876 -19.347 5.099 51 HG13 ILE 12 2HG1 ILE 12 -29.007 -21.178 6.341 52 HG21 ILE 12 1HG2 ILE 12 -28.334 -21.058 2.835 53 HG22 ILE 12 2HG2 ILE 12 -27.748 -19.378 2.886 54 HG23 ILE 12 3HG2 ILE 12 -26.593 -20.727 2.998 55 HD11 ILE 12 3HD1 ILE 12 -30.957 -20.375 5.513 56 HD12 ILE 12 1HD1 ILE 12 -30.016 -19.584 4.227 57 HD13 ILE 12 2HD1 ILE 12 -30.693 -21.208 3.963 58 H GLN 13 H GLN 13 -24.108 -21.987 5.477 59 HA GLN 13 HA GLN 13 -23.009 -19.784 3.921 60 HB3 GLN 13 2HB GLN 13 -20.909 -20.722 5.564 61 HG3 GLN 13 2HG GLN 13 -22.670 -18.254 5.510 62 HE21 GLN 13 1HE2 GLN 13 -23.153 -17.617 7.495 63 HE22 GLN 13 2HE2 GLN 13 -22.038 -17.399 8.802 64 H ILE 14 H ILE 14 -22.415 -20.641 1.977 65 HA ILE 14 HA ILE 14 -21.089 -23.260 2.055 66 HB ILE 14 HB ILE 14 -22.682 -22.424 -0.323 67 HG13 ILE 14 2HG1 ILE 14 -24.281 -22.012 1.419 68 HG21 ILE 14 1HG2 ILE 14 -21.121 -24.586 0.224 69 HG22 ILE 14 2HG2 ILE 14 -22.728 -25.194 0.687 70 HG23 ILE 14 3HG2 ILE 14 -22.454 -24.566 -0.956 71 HD11 ILE 14 3HD1 ILE 14 -25.881 -23.179 0.321 72 HD12 ILE 14 1HD1 ILE 14 -24.580 -24.042 -0.532 73 HD13 ILE 14 2HD1 ILE 14 -25.265 -24.720 0.964 74 H ILE 15 H ILE 15 -20.739 -22.944 -0.959 75 HA ILE 15 HA ILE 15 -18.302 -21.421 -0.750 76 HB ILE 15 HB ILE 15 -18.132 -22.213 -3.193 77 HG13 ILE 15 2HG1 ILE 15 -20.744 -22.862 -2.931 78 HG21 ILE 15 1HG2 ILE 15 -16.862 -23.908 -2.432 79 HG22 ILE 15 2HG2 ILE 15 -17.254 -23.223 -0.837 80 HG23 ILE 15 3HG2 ILE 15 -18.180 -24.609 -1.462 81 HD11 ILE 15 3HD1 ILE 15 -18.884 -24.609 -4.578 82 HD12 ILE 15 1HD1 ILE 15 -20.507 -24.011 -4.997 83 HD13 ILE 15 2HD1 ILE 15 -19.125 -22.889 -4.972 84 H ASP 16 H ASP 16 -17.729 -19.723 -2.342 85 HA ASP 16 HA ASP 16 -19.526 -18.569 -4.030 86 HB3 ASP 16 2HB ASP 16 -20.945 -17.988 -2.150 87 H ARG 17 H ARG 17 -18.464 -16.781 -5.116 88 HA ARG 17 HA ARG 17 -15.842 -16.669 -5.172 89 HB3 ARG 17 2HB ARG 17 -16.407 -13.991 -5.620 90 HG3 ARG 17 2HG ARG 17 -17.280 -16.180 -7.548 91 HD3 ARG 17 2HD ARG 17 -15.814 -14.411 -8.992 92 HE ARG 17 HE ARG 17 -18.480 -13.365 -8.686 93 HH11 ARG 17 2HH2 ARG 17 -16.775 -16.299 -9.621 94 HH12 ARG 17 1HH2 ARG 17 -18.048 -16.862 -10.652 95 HH21 ARG 17 2HH1 ARG 17 -20.158 -14.109 -10.046 96 HH22 ARG 17 1HH1 ARG 17 -19.985 -15.608 -10.895 97 HA PRO 18 HA PRO 18 -14.530 -14.823 -1.433 98 HB3 PRO 18 2HB PRO 18 -12.510 -15.925 -1.515 99 HG3 PRO 18 2HG PRO 18 -11.914 -16.689 -3.608 100 HD3 PRO 18 2HD PRO 18 -13.987 -16.852 -4.588 101 H GLY 19 H GLY 19 -14.551 -13.212 -4.405 102 HA2 GLY 19 1HA GLY 19 -14.898 -11.032 -4.864 103 HA3 GLY 19 2HA GLY 19 -15.122 -10.726 -3.154 104 HA PRO 20 HA PRO 20 -11.134 -8.884 -4.390 105 HB3 PRO 20 2HB PRO 20 -11.857 -6.945 -5.398 106 HG3 PRO 20 2HG PRO 20 -14.114 -6.526 -5.173 107 HD3 PRO 20 2HD PRO 20 -14.893 -8.661 -4.827 108 HA PRO 21 HA PRO 21 -9.505 -8.579 -0.480 109 HB3 PRO 21 2HB PRO 21 -7.330 -8.378 -1.207 110 HG3 PRO 21 2HG PRO 21 -7.099 -7.469 -3.314 111 HD3 PRO 21 2HD PRO 21 -9.156 -7.977 -4.207 112 H GLN 22 H GLN 22 -9.127 -7.368 1.555 113 HA GLN 22 HA GLN 22 -11.332 -5.763 1.983 114 HB3 GLN 22 2HB GLN 22 -9.713 -5.087 4.070 115 HG3 GLN 22 2HG GLN 22 -10.830 -7.906 3.783 116 HE21 GLN 22 1HE2 GLN 22 -9.120 -8.225 5.390 117 HE22 GLN 22 2HE2 GLN 22 -9.423 -7.824 7.047 118 H ILE 23 H ILE 23 -7.813 -4.851 1.771 119 HA ILE 23 HA ILE 23 -8.571 -2.380 0.497 120 HB ILE 23 HB ILE 23 -8.661 -2.164 3.100 121 HG13 ILE 23 2HG1 ILE 23 -9.068 -0.236 1.884 122 HG21 ILE 23 1HG2 ILE 23 -6.636 -1.690 4.213 123 HG22 ILE 23 2HG2 ILE 23 -6.356 -3.207 3.325 124 HG23 ILE 23 3HG2 ILE 23 -5.708 -1.674 2.693 125 HD11 ILE 23 3HD1 ILE 23 -7.780 0.204 4.059 126 HD12 ILE 23 1HD1 ILE 23 -6.331 0.422 3.048 127 HD13 ILE 23 2HD1 ILE 23 -7.724 1.512 2.853 128 H VAL 24 H VAL 24 -6.634 -1.231 -0.364 129 HA VAL 24 HA VAL 24 -4.249 -2.914 -0.419 130 HB VAL 24 HB VAL 24 -5.616 -1.824 -2.886 131 HG11 VAL 24 1HG1 VAL 24 -3.122 -3.501 -2.484 132 HG12 VAL 24 2HG1 VAL 24 -3.937 -3.302 -4.054 133 HG13 VAL 24 3HG1 VAL 24 -3.248 -1.886 -3.223 134 HG21 VAL 24 3HG2 VAL 24 -6.795 -3.760 -1.730 135 HG22 VAL 24 1HG2 VAL 24 -6.318 -4.029 -3.423 136 HG23 VAL 24 2HG2 VAL 24 -5.357 -4.738 -2.104 137 H LYS 25 H LYS 25 -2.612 -1.646 0.272 138 HA LYS 25 HA LYS 25 -2.643 1.145 -0.631 139 HB3 LYS 25 2HB LYS 25 -3.321 1.278 1.633 140 HG3 LYS 25 2HG LYS 25 -1.490 -1.035 1.950 141 HD3 LYS 25 2HD LYS 25 -0.914 1.358 3.443 142 HE3 LYS 25 2HE LYS 25 -1.245 -0.502 5.604 143 HZ1 LYS 25 3HZ LYS 25 -2.536 2.051 4.942 144 HZ2 LYS 25 1HZ LYS 25 -2.655 1.320 6.398 145 HZ3 LYS 25 2HZ LYS 25 -1.203 1.839 5.861 146 H ILE 26 H ILE 26 -0.274 2.094 -0.162 147 HA ILE 26 HA ILE 26 1.580 0.048 -1.166 148 HB ILE 26 HB ILE 26 1.938 2.972 -1.677 149 HG13 ILE 26 2HG1 ILE 26 0.458 3.085 -3.435 150 HG21 ILE 26 1HG2 ILE 26 2.838 1.872 -3.862 151 HG22 ILE 26 2HG2 ILE 26 3.806 1.806 -2.370 152 HG23 ILE 26 3HG2 ILE 26 2.866 0.384 -2.886 153 HD11 ILE 26 3HD1 ILE 26 0.515 1.386 -4.939 154 HD12 ILE 26 1HD1 ILE 26 1.091 0.234 -3.711 155 HD13 ILE 26 2HD1 ILE 26 -0.652 0.542 -3.894 156 H GLU 27 H GLU 27 2.833 -0.624 0.499 157 HA GLU 27 HA GLU 27 3.166 0.585 2.862 158 HB3 GLU 27 2HB GLU 27 5.671 -0.679 1.969 159 HG3 GLU 27 2HG GLU 27 3.733 -2.109 3.728 160 H ASP 28 H ASP 28 5.215 1.047 -0.089 161 HA ASP 28 HA ASP 28 5.651 3.708 0.428 162 HB3 ASP 28 2HB ASP 28 8.285 2.355 0.850 163 H VAL 29 H VAL 29 7.873 4.371 -0.935 164 HA VAL 29 HA VAL 29 8.324 2.469 -3.083 165 HB VAL 29 HB VAL 29 6.502 3.545 -4.040 166 HG11 VAL 29 1HG1 VAL 29 7.550 6.261 -3.192 167 HG12 VAL 29 2HG1 VAL 29 5.966 5.873 -3.904 168 HG13 VAL 29 3HG1 VAL 29 6.359 5.325 -2.257 169 HG21 VAL 29 3HG2 VAL 29 8.796 5.286 -4.988 170 HG22 VAL 29 1HG2 VAL 29 8.622 3.570 -5.426 171 HG23 VAL 29 2HG2 VAL 29 7.374 4.742 -5.910 172 H TRP 30 H TRP 30 10.477 2.388 -3.454 173 HA TRP 30 HA TRP 30 12.008 4.834 -2.894 174 HB3 TRP 30 2HB TRP 30 12.366 3.351 -1.045 175 HD1 TRP 30 HD TRP 30 14.763 1.139 -2.933 176 HE1 TRP 30 1HE TRP 30 14.081 -1.409 -2.831 177 HE3 TRP 30 3HE TRP 30 10.120 1.917 -1.010 178 HZ2 TRP 30 2HZ TRP 30 11.728 -2.781 -1.976 179 HZ3 TRP 30 3HZ TRP 30 8.694 -0.081 -0.572 180 HH2 TRP 30 HH TRP 30 9.431 -2.367 -1.022 181 H GLY 31 H GLY 31 13.350 5.435 -4.575 182 HA2 GLY 31 1HA GLY 31 14.125 5.461 -6.695 183 HA3 GLY 31 2HA GLY 31 14.761 3.878 -6.293 184 H GLU 32 H GLU 32 14.143 2.213 -7.600 185 HA GLU 32 HA GLU 32 11.690 2.635 -9.112 186 HB3 GLU 32 2HB GLU 32 12.655 1.068 -10.779 187 HG3 GLU 32 2HG GLU 32 14.755 3.142 -10.017 188 H ASN 33 H ASN 33 11.683 1.682 -6.359 189 HA ASN 33 HA ASN 33 10.644 -0.984 -6.886 190 HB3 ASN 33 2HB ASN 33 11.472 -1.699 -4.633 191 HD21 ASN 33 1HD2 ASN 33 13.797 0.630 -5.924 192 HD22 ASN 33 2HD2 ASN 33 14.898 -0.507 -6.628 193 H VAL 34 H VAL 34 8.539 -1.239 -6.051 194 HA VAL 34 HA VAL 34 7.625 0.860 -4.205 195 HB VAL 34 HB VAL 34 6.510 -0.246 -6.712 196 HG11 VAL 34 1HG1 VAL 34 4.161 0.301 -5.936 197 HG12 VAL 34 2HG1 VAL 34 4.863 -1.194 -5.273 198 HG13 VAL 34 3HG1 VAL 34 4.791 0.276 -4.271 199 HG21 VAL 34 3HG2 VAL 34 5.724 2.352 -5.427 200 HG22 VAL 34 1HG2 VAL 34 7.364 2.168 -6.094 201 HG23 VAL 34 2HG2 VAL 34 5.945 1.951 -7.148 202 H ALA 35 H ALA 35 6.158 0.206 -2.525 203 HA ALA 35 HA ALA 35 6.215 -2.698 -2.061 204 HB1 ALA 35 3HB ALA 35 6.040 -1.872 0.414 205 HB2 ALA 35 1HB ALA 35 7.616 -1.794 -0.411 206 HB3 ALA 35 2HB ALA 35 6.628 -0.324 -0.238 207 H LEU 36 H LEU 36 4.233 -3.590 -2.304 208 HA LEU 36 HA LEU 36 1.924 -1.841 -1.915 209 HB3 LEU 36 2HB LEU 36 0.855 -4.034 -2.973 210 HG LEU 36 HG LEU 36 2.281 -1.801 -4.396 211 HD11 LEU 36 1HD1 LEU 36 1.312 -4.357 -5.586 212 HD12 LEU 36 2HD1 LEU 36 0.962 -2.845 -6.459 213 HD13 LEU 36 3HD1 LEU 36 2.645 -3.286 -6.081 214 HD21 LEU 36 3HD2 LEU 36 0.063 -1.100 -4.998 215 HD22 LEU 36 1HD2 LEU 36 -0.642 -2.596 -4.342 216 HD23 LEU 36 2HD2 LEU 36 0.108 -1.410 -3.247 217 H THR 37 H THR 37 0.082 -2.604 -0.656 218 HA THR 37 HA THR 37 0.540 -4.883 1.070 219 HB THR 37 HB THR 37 -0.030 -3.119 3.034 220 HG1 THR 37 1HG THR 37 1.277 -1.765 0.789 221 HG21 THR 37 3HG2 THR 37 2.176 -3.344 3.703 222 HG22 THR 37 1HG2 THR 37 2.262 -4.488 2.343 223 HG23 THR 37 2HG2 THR 37 2.804 -2.806 2.126 224 H TRP 38 H TRP 38 -1.275 -5.991 0.643 225 HA TRP 38 HA TRP 38 -3.778 -4.448 0.740 226 HB3 TRP 38 2HB TRP 38 -3.363 -5.263 -1.494 227 HD1 TRP 38 HD TRP 38 -4.494 -8.745 -0.393 228 HE1 TRP 38 1HE TRP 38 -2.807 -10.615 -1.182 229 HE3 TRP 38 3HE TRP 38 -0.868 -5.547 -1.965 230 HZ2 TRP 38 2HZ TRP 38 -0.203 -10.546 -2.349 231 HZ3 TRP 38 3HZ TRP 38 1.215 -6.530 -2.917 232 HH2 TRP 38 HH TRP 38 1.578 -8.938 -3.122 233 H THR 39 H THR 39 -5.554 -5.486 1.878 234 HA THR 39 HA THR 39 -4.584 -7.357 3.908 235 HB THR 39 HB THR 39 -6.825 -6.622 4.978 236 HG1 THR 39 1HG THR 39 -7.665 -4.677 3.855 237 HG21 THR 39 3HG2 THR 39 -5.087 -5.354 5.928 238 HG22 THR 39 1HG2 THR 39 -4.521 -4.767 4.346 239 HG23 THR 39 2HG2 THR 39 -5.985 -4.071 5.081 240 HA PRO 40 HA PRO 40 -6.833 -10.655 2.341 241 HB3 PRO 40 2HB PRO 40 -5.845 -12.132 3.806 242 HG3 PRO 40 2HG PRO 40 -5.024 -11.170 5.735 243 HD3 PRO 40 2HD PRO 40 -4.702 -9.013 5.010 244 HA PRO 41 HA PRO 41 -11.051 -10.209 2.529 245 HB3 PRO 41 2HB PRO 41 -11.466 -11.762 0.881 246 HG3 PRO 41 2HG PRO 41 -9.844 -13.388 0.660 247 HD3 PRO 41 2HD PRO 41 -8.035 -12.283 1.547 248 H LYS 42 H LYS 42 -13.014 -10.222 3.731 249 HA LYS 42 HA LYS 42 -12.421 -10.817 6.484 250 HB3 LYS 42 2HB LYS 42 -15.038 -9.964 6.391 251 HG3 LYS 42 2HG LYS 42 -12.741 -7.992 6.247 252 HD3 LYS 42 2HD LYS 42 -14.010 -7.189 8.360 253 HE3 LYS 42 2HE LYS 42 -14.332 -6.551 5.691 254 HZ1 LYS 42 3HZ LYS 42 -17.058 -6.780 6.651 255 HZ2 LYS 42 1HZ LYS 42 -16.502 -6.710 5.118 256 HZ3 LYS 42 2HZ LYS 42 -16.376 -8.098 5.969 257 H ASP 43 H ASP 43 -13.503 -12.590 3.822 258 HA ASP 43 HA ASP 43 -15.305 -14.185 5.428 259 HB3 ASP 43 2HB ASP 43 -15.070 -15.389 2.904 260 H ASP 44 H ASP 44 -12.893 -15.008 2.826 261 HA ASP 44 HA ASP 44 -11.491 -16.667 2.636 262 HB3 ASP 44 2HB ASP 44 -10.883 -15.741 5.475 263 H GLY 45 H GLY 45 -13.322 -18.286 2.595 264 HA2 GLY 45 1HA GLY 45 -12.897 -20.444 4.358 265 HA3 GLY 45 2HA GLY 45 -14.331 -19.570 4.860 266 H ASN 46 H ASN 46 -15.399 -18.678 2.406 267 HA ASN 46 HA ASN 46 -16.765 -20.919 1.602 268 HB3 ASN 46 2HB ASN 46 -17.716 -19.484 -0.141 269 HD21 ASN 46 1HD2 ASN 46 -19.194 -19.491 1.568 270 HD22 ASN 46 2HD2 ASN 46 -19.342 -18.169 2.676 271 H ALA 47 H ALA 47 -14.280 -18.943 -0.206 272 HA ALA 47 HA ALA 47 -13.611 -21.382 -1.709 273 HB1 ALA 47 3HB ALA 47 -12.806 -19.382 -3.355 274 HB2 ALA 47 1HB ALA 47 -14.430 -20.108 -3.423 275 HB3 ALA 47 2HB ALA 47 -14.176 -18.578 -2.551 276 H ALA 48 H ALA 48 -11.788 -22.149 -0.717 277 HA ALA 48 HA ALA 48 -10.015 -20.800 0.809 278 HB1 ALA 48 3HB ALA 48 -8.527 -22.675 -0.750 279 HB2 ALA 48 1HB ALA 48 -9.222 -22.898 0.874 280 HB3 ALA 48 2HB ALA 48 -10.176 -23.319 -0.570 281 H ILE 49 H ILE 49 -8.892 -18.956 0.452 282 HA ILE 49 HA ILE 49 -8.441 -18.004 -2.173 283 HB ILE 49 HB ILE 49 -7.591 -17.130 0.575 284 HG13 ILE 49 2HG1 ILE 49 -9.823 -16.582 -1.241 285 HG21 ILE 49 1HG2 ILE 49 -5.915 -15.946 -0.268 286 HG22 ILE 49 2HG2 ILE 49 -6.322 -16.450 -1.926 287 HG23 ILE 49 3HG2 ILE 49 -7.104 -15.018 -1.214 288 HD11 ILE 49 3HD1 ILE 49 -10.850 -15.825 0.865 289 HD12 ILE 49 1HD1 ILE 49 -10.022 -17.380 1.122 290 HD13 ILE 49 2HD1 ILE 49 -9.264 -15.866 1.674 291 H THR 50 H THR 50 -7.234 -19.459 -3.404 292 HA THR 50 HA THR 50 -5.004 -20.847 -2.511 293 HB THR 50 HB THR 50 -4.536 -20.919 -5.049 294 HG1 THR 50 1HG THR 50 -6.151 -19.739 -6.275 295 HG21 THR 50 3HG2 THR 50 -6.096 -22.598 -4.098 296 HG22 THR 50 1HG2 THR 50 -7.412 -21.399 -4.104 297 HG23 THR 50 2HG2 THR 50 -6.742 -21.992 -5.642 298 H GLY 51 H GLY 51 -5.194 -17.614 -4.122 299 HA2 GLY 51 1HA GLY 51 -2.823 -16.773 -2.722 300 HA3 GLY 51 2HA GLY 51 -2.557 -17.043 -4.433 301 H TYR 52 H TYR 52 -2.219 -14.818 -4.928 302 HA TYR 52 HA TYR 52 -4.678 -13.342 -5.253 303 HB3 TYR 52 2HB TYR 52 -3.867 -11.450 -3.913 304 HD1 TYR 52 2HD TYR 52 -1.926 -14.291 -2.461 305 HD2 TYR 52 1HD TYR 52 -5.438 -11.861 -2.205 306 HE1 TYR 52 2HE TYR 52 -2.496 -15.340 -0.218 307 HE2 TYR 52 1HE TYR 52 -5.997 -12.919 0.039 308 HH TYR 52 HH TYR 52 -4.462 -15.724 1.141 309 H THR 53 H THR 53 -4.621 -12.492 -7.270 310 HA THR 53 HA THR 53 -2.046 -12.324 -8.605 311 HB THR 53 HB THR 53 -4.928 -11.919 -9.568 312 HG1 THR 53 1HG THR 53 -2.984 -14.092 -9.868 313 HG21 THR 53 3HG2 THR 53 -2.432 -12.626 -11.183 314 HG22 THR 53 1HG2 THR 53 -4.043 -12.194 -11.804 315 HG23 THR 53 2HG2 THR 53 -3.022 -10.954 -11.037 316 H ILE 54 H ILE 54 -0.916 -10.517 -9.031 317 HA ILE 54 HA ILE 54 -2.240 -7.997 -8.301 318 HB ILE 54 HB ILE 54 0.669 -8.780 -8.096 319 HG13 ILE 54 2HG1 ILE 54 -1.557 -9.097 -6.293 320 HG21 ILE 54 1HG2 ILE 54 1.215 -6.639 -7.478 321 HG22 ILE 54 2HG2 ILE 54 -0.030 -6.323 -8.712 322 HG23 ILE 54 3HG2 ILE 54 -0.446 -6.234 -6.983 323 HD11 ILE 54 3HD1 ILE 54 1.415 -9.705 -6.324 324 HD12 ILE 54 1HD1 ILE 54 0.433 -10.025 -4.875 325 HD13 ILE 54 2HD1 ILE 54 0.046 -10.838 -6.410 326 H GLN 55 H GLN 55 -2.102 -6.247 -9.723 327 HA GLN 55 HA GLN 55 -0.515 -6.618 -12.095 328 HB3 GLN 55 2HB GLN 55 -2.348 -6.317 -13.651 329 HG3 GLN 55 2HG GLN 55 -3.384 -8.299 -11.583 330 HE21 GLN 55 1HE2 GLN 55 -3.147 -10.416 -13.415 331 HE22 GLN 55 2HE2 GLN 55 -4.305 -10.210 -14.686 332 H LYS 56 H LYS 56 0.128 -4.635 -13.041 333 HA LYS 56 HA LYS 56 -0.825 -2.267 -11.585 334 HB3 LYS 56 2HB LYS 56 1.564 -2.994 -11.177 335 HG3 LYS 56 2HG LYS 56 2.130 -1.786 -13.900 336 HD3 LYS 56 2HD LYS 56 3.636 -3.549 -11.920 337 HE3 LYS 56 2HE LYS 56 4.624 -2.614 -14.652 338 HZ1 LYS 56 3HZ LYS 56 5.671 -4.272 -12.493 339 HZ2 LYS 56 1HZ LYS 56 6.189 -4.504 -14.024 340 HZ3 LYS 56 2HZ LYS 56 6.406 -3.057 -13.300 341 H ALA 57 H ALA 57 -0.526 -0.185 -12.960 342 HA ALA 57 HA ALA 57 -0.691 -0.586 -15.796 343 HB1 ALA 57 3HB ALA 57 -3.135 0.303 -14.208 344 HB2 ALA 57 1HB ALA 57 -2.978 0.388 -15.979 345 HB3 ALA 57 2HB ALA 57 -2.976 -1.193 -15.161 346 H ASP 58 H ASP 58 0.298 1.145 -16.718 347 HA ASP 58 HA ASP 58 1.216 3.213 -15.112 348 HB3 ASP 58 2HB ASP 58 2.296 3.982 -17.046 349 H LYS 59 H LYS 59 0.764 5.648 -15.699 350 HA LYS 59 HA LYS 59 -2.125 5.975 -15.826 351 HB3 LYS 59 2HB LYS 59 -0.790 8.445 -15.372 352 HG3 LYS 59 2HG LYS 59 -1.740 7.992 -13.007 353 HD3 LYS 59 2HD LYS 59 -4.140 7.505 -14.468 354 HE3 LYS 59 2HE LYS 59 -2.763 10.153 -13.804 355 HZ1 LYS 59 3HZ LYS 59 -4.571 10.736 -15.005 356 HZ2 LYS 59 1HZ LYS 59 -5.432 9.395 -14.647 357 HZ3 LYS 59 2HZ LYS 59 -5.293 10.595 -13.547 358 H LYS 60 H LYS 60 -0.392 5.243 -18.199 359 HA LYS 60 HA LYS 60 -0.706 7.683 -19.779 360 HB3 LYS 60 2HB LYS 60 0.869 6.791 -21.287 361 HG3 LYS 60 2HG LYS 60 2.788 6.131 -19.846 362 HD3 LYS 60 2HD LYS 60 2.748 8.059 -18.287 363 HE3 LYS 60 2HE LYS 60 1.194 9.002 -20.710 364 HZ1 LYS 60 3HZ LYS 60 3.447 9.919 -19.100 365 HZ2 LYS 60 1HZ LYS 60 3.243 10.487 -20.617 366 HZ3 LYS 60 2HZ LYS 60 2.079 10.716 -19.496 367 H SER 61 H SER 61 -1.592 4.186 -19.634 368 HA SER 61 HA SER 61 -3.854 4.888 -21.319 369 HB3 SER 61 2HB SER 61 -3.620 2.673 -22.481 370 HG SER 61 HG SER 61 -2.501 3.772 -23.924 371 H MET 62 H MET 62 -2.943 4.106 -18.329 372 HA MET 62 HA MET 62 -3.620 2.767 -16.704 373 HB3 MET 62 2HB MET 62 -6.365 2.845 -16.783 374 HG3 MET 62 2HG MET 62 -5.075 5.538 -16.481 375 HE1 MET 62 3HE MET 62 -7.604 2.574 -14.481 376 HE2 MET 62 1HE MET 62 -5.825 2.586 -14.489 377 HE3 MET 62 2HE MET 62 -6.713 3.251 -13.098 378 H GLU 63 H GLU 63 -2.835 1.061 -18.735 379 HA GLU 63 HA GLU 63 -5.027 -0.796 -19.078 380 HB3 GLU 63 2HB GLU 63 -3.226 -1.992 -20.537 381 HG3 GLU 63 2HG GLU 63 -4.032 0.831 -21.371 382 H TRP 64 H TRP 64 -4.985 -2.948 -18.273 383 HA TRP 64 HA TRP 64 -2.955 -3.363 -16.192 384 HB3 TRP 64 2HB TRP 64 -4.557 -4.820 -15.119 385 HD1 TRP 64 HD TRP 64 -7.087 -2.303 -16.537 386 HE1 TRP 64 1HE TRP 64 -7.610 -0.381 -14.805 387 HE3 TRP 64 3HE TRP 64 -3.460 -3.590 -13.213 388 HZ2 TRP 64 2HZ TRP 64 -6.474 0.368 -12.297 389 HZ3 TRP 64 3HZ TRP 64 -3.233 -2.211 -11.149 390 HH2 TRP 64 HH TRP 64 -4.668 -0.291 -10.666 391 H PHE 65 H PHE 65 -1.669 -5.223 -16.276 392 HA PHE 65 HA PHE 65 -2.165 -6.967 -18.586 393 HB3 PHE 65 2HB PHE 65 0.497 -7.198 -18.217 394 HD1 PHE 65 1HD PHE 65 -1.091 -7.027 -20.547 395 HD2 PHE 65 2HD PHE 65 1.028 -3.903 -18.608 396 HE1 PHE 65 1HE PHE 65 -0.963 -5.769 -22.715 397 HE2 PHE 65 2HE PHE 65 1.155 -2.644 -20.776 398 HZ PHE 65 HZ PHE 65 0.159 -3.592 -22.804 399 H THR 66 H THR 66 0.347 -7.235 -16.037 400 HA THR 66 HA THR 66 -0.916 -8.876 -14.245 401 HB THR 66 HB THR 66 -0.222 -10.220 -16.829 402 HG1 THR 66 1HG THR 66 -2.380 -10.065 -15.882 403 HG21 THR 66 3HG2 THR 66 0.335 -11.459 -14.084 404 HG22 THR 66 1HG2 THR 66 0.116 -12.405 -15.576 405 HG23 THR 66 2HG2 THR 66 1.496 -11.289 -15.422 406 H VAL 67 H VAL 67 0.357 -8.411 -12.572 407 HA VAL 67 HA VAL 67 3.196 -8.076 -13.059 408 HB VAL 67 HB VAL 67 1.398 -7.592 -10.680 409 HG11 VAL 67 1HG1 VAL 67 3.880 -6.280 -10.321 410 HG12 VAL 67 2HG1 VAL 67 3.194 -7.611 -9.359 411 HG13 VAL 67 3HG1 VAL 67 4.255 -7.968 -10.744 412 HG21 VAL 67 3HG2 VAL 67 2.963 -5.449 -12.060 413 HG22 VAL 67 1HG2 VAL 67 1.517 -6.092 -12.875 414 HG23 VAL 67 2HG2 VAL 67 1.378 -5.373 -11.253 415 H ILE 68 H ILE 68 0.930 -10.112 -11.105 416 HA ILE 68 HA ILE 68 2.847 -12.258 -11.233 417 HB ILE 68 HB ILE 68 3.269 -10.647 -9.177 418 HG13 ILE 68 2HG1 ILE 68 3.559 -13.563 -9.587 419 HG21 ILE 68 1HG2 ILE 68 2.136 -11.394 -7.159 420 HG22 ILE 68 2HG2 ILE 68 0.963 -10.763 -8.340 421 HG23 ILE 68 3HG2 ILE 68 1.138 -12.520 -8.111 422 HD11 ILE 68 3HD1 ILE 68 5.164 -11.126 -9.467 423 HD12 ILE 68 1HD1 ILE 68 5.832 -12.377 -8.391 424 HD13 ILE 68 2HD1 ILE 68 5.596 -12.725 -10.120 425 H GLU 69 H GLU 69 1.873 -14.328 -10.537 426 HA GLU 69 HA GLU 69 -1.020 -14.143 -10.324 427 HB3 GLU 69 2HB GLU 69 -1.245 -16.043 -11.933 428 HG3 GLU 69 2HG GLU 69 0.084 -14.503 -13.865 429 H HIS 70 H HIS 70 -1.994 -15.790 -9.048 430 HA HIS 70 HA HIS 70 -2.005 -17.092 -7.260 431 HB3 HIS 70 2HB HIS 70 -2.059 -18.786 -8.914 432 HD1 HIS 70 1HD HIS 70 1.360 -20.009 -8.310 433 HD2 HIS 70 2HD HIS 70 -0.626 -17.841 -11.303 434 HE1 HIS 70 1HE HIS 70 2.863 -20.093 -10.371 435 H TYR 71 H TYR 71 -0.793 -15.320 -6.083 436 HA TYR 71 HA TYR 71 2.008 -15.874 -5.610 437 HB3 TYR 71 2HB TYR 71 0.264 -13.928 -4.054 438 HD1 TYR 71 2HD TYR 71 3.227 -14.259 -6.337 439 HD2 TYR 71 1HD TYR 71 1.533 -12.365 -2.894 440 HE1 TYR 71 2HE TYR 71 5.436 -13.082 -5.888 441 HE2 TYR 71 1HE TYR 71 3.748 -11.196 -2.457 442 HH TYR 71 HH TYR 71 6.110 -11.572 -2.957 443 H HIS 72 H HIS 72 1.959 -14.899 -2.833 444 HA HIS 72 HA HIS 72 0.465 -16.975 -1.464 445 HB3 HIS 72 2HB HIS 72 2.640 -17.452 -0.136 446 HD1 HIS 72 1HD HIS 72 2.581 -17.947 -3.949 447 HD2 HIS 72 2HD HIS 72 2.349 -20.147 -0.386 448 HE1 HIS 72 1HE HIS 72 2.433 -20.401 -4.633 449 H ARG 73 H ARG 73 3.168 -14.670 -0.692 450 HA ARG 73 HA ARG 73 2.131 -13.937 1.721 451 HB3 ARG 73 2HB ARG 73 3.500 -11.655 0.876 452 HG3 ARG 73 2HG ARG 73 3.994 -13.136 2.869 453 HD3 ARG 73 2HD ARG 73 5.948 -14.733 1.290 454 HE ARG 73 HE ARG 73 4.118 -16.024 3.162 455 HH11 ARG 73 2HH2 ARG 73 6.995 -14.012 2.915 456 HH12 ARG 73 1HH2 ARG 73 7.605 -14.469 4.470 457 HH21 ARG 73 2HH1 ARG 73 4.923 -16.628 5.215 458 HH22 ARG 73 1HH1 ARG 73 6.417 -15.967 5.787 459 H THR 74 H THR 74 1.914 -11.140 1.869 460 HA THR 74 HA THR 74 -0.444 -10.605 0.183 461 HB THR 74 HB THR 74 -1.053 -9.155 2.295 462 HG1 THR 74 1HG THR 74 0.727 -11.197 3.398 463 HG21 THR 74 3HG2 THR 74 -1.706 -11.310 3.622 464 HG22 THR 74 1HG2 THR 74 -2.408 -11.118 1.997 465 HG23 THR 74 2HG2 THR 74 -1.021 -12.205 2.245 466 H SER 75 H SER 75 2.767 -9.897 0.527 467 HA SER 75 HA SER 75 2.266 -7.228 -0.515 468 HB3 SER 75 2HB SER 75 3.195 -6.413 1.398 469 HG SER 75 HG SER 75 3.742 -7.743 2.986 470 H ALA 76 H ALA 76 3.700 -6.585 -2.221 471 HA ALA 76 HA ALA 76 5.826 -8.433 -2.932 472 HB1 ALA 76 3HB ALA 76 3.675 -9.233 -4.014 473 HB2 ALA 76 1HB ALA 76 3.639 -7.697 -4.911 474 HB3 ALA 76 2HB ALA 76 4.986 -8.834 -5.149 475 H THR 77 H THR 77 7.476 -7.432 -4.167 476 HA THR 77 HA THR 77 7.270 -4.513 -4.180 477 HB THR 77 HB THR 77 9.629 -6.453 -4.439 478 HG1 THR 77 1HG THR 77 8.493 -6.294 -2.339 479 HG21 THR 77 3HG2 THR 77 11.010 -4.639 -4.710 480 HG22 THR 77 1HG2 THR 77 9.549 -3.743 -5.189 481 HG23 THR 77 2HG2 THR 77 10.110 -3.692 -3.500 482 H ILE 78 H ILE 78 7.324 -3.259 -5.984 483 HA ILE 78 HA ILE 78 7.112 -4.739 -8.492 484 HB ILE 78 HB ILE 78 6.427 -1.863 -7.879 485 HG13 ILE 78 2HG1 ILE 78 4.118 -2.559 -7.713 486 HG21 ILE 78 1HG2 ILE 78 6.726 -1.975 -10.183 487 HG22 ILE 78 2HG2 ILE 78 6.079 -3.630 -10.291 488 HG23 ILE 78 3HG2 ILE 78 4.980 -2.264 -9.984 489 HD11 ILE 78 3HD1 ILE 78 4.774 -5.460 -7.526 490 HD12 ILE 78 1HD1 ILE 78 3.330 -4.659 -8.193 491 HD13 ILE 78 2HD1 ILE 78 4.815 -4.774 -9.168 492 H THR 79 H THR 79 8.453 -4.318 -10.278 493 HA THR 79 HA THR 79 10.759 -2.582 -9.687 494 HB THR 79 HB THR 79 11.947 -4.408 -11.192 495 HG1 THR 79 1HG THR 79 10.754 -6.454 -10.938 496 HG21 THR 79 3HG2 THR 79 12.533 -4.271 -8.812 497 HG22 THR 79 1HG2 THR 79 10.974 -4.991 -8.347 498 HG23 THR 79 2HG2 THR 79 12.191 -5.976 -9.194 499 H GLU 80 H GLU 80 12.002 -2.092 -11.833 500 HA GLU 80 HA GLU 80 11.993 -1.007 -13.714 501 HB3 GLU 80 2HB GLU 80 10.024 -1.816 -15.392 502 HG3 GLU 80 2HG GLU 80 12.315 -3.636 -14.521 503 H LEU 81 H LEU 81 11.244 0.775 -12.104 504 HA LEU 81 HA LEU 81 8.770 1.914 -13.188 505 HB3 LEU 81 2HB LEU 81 8.133 2.706 -11.012 506 HG LEU 81 HG LEU 81 8.790 -0.250 -10.918 507 HD11 LEU 81 1HD1 LEU 81 8.057 1.428 -8.765 508 HD12 LEU 81 2HD1 LEU 81 6.609 0.488 -9.200 509 HD13 LEU 81 3HD1 LEU 81 8.129 -0.351 -8.804 510 HD21 LEU 81 3HD2 LEU 81 7.173 -0.333 -12.457 511 HD22 LEU 81 1HD2 LEU 81 6.061 0.014 -11.110 512 HD23 LEU 81 2HD2 LEU 81 6.651 1.339 -12.141 513 H VAL 82 H VAL 82 9.027 3.942 -13.985 514 HA VAL 82 HA VAL 82 11.648 5.101 -13.810 515 HB VAL 82 HB VAL 82 10.463 5.080 -15.904 516 HG11 VAL 82 1HG1 VAL 82 8.268 5.429 -16.098 517 HG12 VAL 82 2HG1 VAL 82 8.191 5.665 -14.335 518 HG13 VAL 82 3HG1 VAL 82 8.423 7.064 -15.411 519 HG21 VAL 82 3HG2 VAL 82 11.728 6.918 -16.184 520 HG22 VAL 82 1HG2 VAL 82 10.206 7.820 -15.991 521 HG23 VAL 82 2HG2 VAL 82 11.283 7.583 -14.594 522 H ILE 83 H ILE 83 12.254 6.986 -12.725 523 HA ILE 83 HA ILE 83 10.538 7.673 -10.517 524 HB ILE 83 HB ILE 83 13.309 8.562 -11.320 525 HG13 ILE 83 2HG1 ILE 83 13.097 6.176 -10.699 526 HG21 ILE 83 1HG2 ILE 83 11.484 9.794 -9.514 527 HG22 ILE 83 2HG2 ILE 83 12.770 9.017 -8.558 528 HG23 ILE 83 3HG2 ILE 83 13.190 10.194 -9.827 529 HD11 ILE 83 3HD1 ILE 83 15.088 7.726 -10.025 530 HD12 ILE 83 1HD1 ILE 83 14.396 7.653 -8.387 531 HD13 ILE 83 2HD1 ILE 83 14.931 6.159 -9.196 532 H GLY 84 H GLY 84 8.786 8.901 -11.077 533 HA2 GLY 84 1HA GLY 84 8.621 11.470 -11.320 534 HA3 GLY 84 2HA GLY 84 9.217 11.140 -12.934 535 H ASN 85 H ASN 85 7.802 8.424 -12.968 536 HA ASN 85 HA ASN 85 5.234 9.535 -13.706 537 HB3 ASN 85 2HB ASN 85 5.017 7.087 -14.702 538 HD21 ASN 85 1HD2 ASN 85 6.941 6.738 -16.686 539 HD22 ASN 85 2HD2 ASN 85 6.965 8.116 -17.735 540 H GLU 86 H GLU 86 3.231 8.290 -13.072 541 HA GLU 86 HA GLU 86 3.674 6.927 -10.536 542 HB3 GLU 86 2HB GLU 86 2.335 9.030 -10.431 543 HG3 GLU 86 2HG GLU 86 -0.137 8.581 -11.342 544 H TYR 87 H TYR 87 2.288 5.037 -10.037 545 HA TYR 87 HA TYR 87 1.055 3.818 -12.393 546 HB3 TYR 87 2HB TYR 87 2.291 1.692 -11.701 547 HD1 TYR 87 1HD TYR 87 2.875 2.097 -14.081 548 HD2 TYR 87 2HD TYR 87 4.962 4.047 -10.896 549 HE1 TYR 87 1HE TYR 87 4.759 2.705 -15.677 550 HE2 TYR 87 2HE TYR 87 6.839 4.647 -12.502 551 HH TYR 87 HH TYR 87 7.538 3.276 -15.047 552 H TYR 88 H TYR 88 -0.492 2.117 -11.867 553 HA TYR 88 HA TYR 88 -1.498 2.428 -9.123 554 HB3 TYR 88 2HB TYR 88 -3.570 1.393 -10.494 555 HD1 TYR 88 1HD TYR 88 -3.560 3.469 -8.634 556 HD2 TYR 88 2HD TYR 88 -3.318 3.829 -12.890 557 HE1 TYR 88 1HE TYR 88 -4.498 5.827 -8.495 558 HE2 TYR 88 2HE TYR 88 -4.257 6.187 -12.736 559 HH TYR 88 HH TYR 88 -4.197 8.020 -10.734 560 H PHE 89 H PHE 89 -2.875 0.397 -8.442 561 HA PHE 89 HA PHE 89 -1.816 -2.078 -9.466 562 HB3 PHE 89 2HB PHE 89 -0.869 -2.721 -7.268 563 HD1 PHE 89 2HD PHE 89 1.066 -2.544 -8.812 564 HD2 PHE 89 1HD PHE 89 -0.354 0.806 -6.630 565 HE1 PHE 89 2HE PHE 89 3.228 -1.346 -9.246 566 HE2 PHE 89 1HE PHE 89 1.808 2.005 -7.064 567 HZ PHE 89 HZ PHE 89 3.573 0.915 -8.367 568 H ARG 90 H ARG 90 -3.176 -3.846 -9.017 569 HA ARG 90 HA ARG 90 -5.338 -3.326 -7.172 570 HB3 ARG 90 2HB ARG 90 -6.077 -2.731 -9.547 571 HG3 ARG 90 2HG ARG 90 -6.056 -5.740 -10.002 572 HD3 ARG 90 2HD ARG 90 -6.238 -3.368 -11.922 573 HE ARG 90 HE ARG 90 -5.648 -6.051 -12.473 574 HH11 ARG 90 2HH2 ARG 90 -8.214 -3.798 -13.327 575 HH12 ARG 90 1HH2 ARG 90 -8.546 -4.555 -14.849 576 HH21 ARG 90 2HH1 ARG 90 -6.086 -7.050 -14.481 577 HH22 ARG 90 1HH1 ARG 90 -7.328 -6.417 -15.510 578 H VAL 91 H VAL 91 -5.476 -5.077 -5.802 579 HA VAL 91 HA VAL 91 -4.275 -7.577 -6.712 580 HB VAL 91 HB VAL 91 -5.083 -6.588 -3.971 581 HG11 VAL 91 1HG1 VAL 91 -3.294 -8.955 -4.420 582 HG12 VAL 91 2HG1 VAL 91 -4.339 -8.561 -3.034 583 HG13 VAL 91 3HG1 VAL 91 -5.057 -9.164 -4.547 584 HG21 VAL 91 3HG2 VAL 91 -2.857 -6.045 -3.565 585 HG22 VAL 91 1HG2 VAL 91 -2.255 -7.073 -4.888 586 HG23 VAL 91 2HG2 VAL 91 -3.071 -5.534 -5.257 587 H PHE 92 H PHE 92 -5.420 -9.535 -6.768 588 HA PHE 92 HA PHE 92 -8.325 -9.196 -6.520 589 HB3 PHE 92 2HB PHE 92 -8.082 -11.355 -8.102 590 HD1 PHE 92 2HD PHE 92 -9.975 -9.839 -8.794 591 HD2 PHE 92 1HD PHE 92 -5.930 -9.014 -9.779 592 HE1 PHE 92 2HE PHE 92 -10.734 -8.270 -10.600 593 HE2 PHE 92 1HE PHE 92 -6.690 -7.446 -11.586 594 HZ PHE 92 HZ PHE 92 -9.083 -7.092 -11.975 595 H SER 93 H SER 93 -9.165 -11.820 -6.550 596 HA SER 93 HA SER 93 -7.741 -12.992 -4.293 597 HB3 SER 93 2HB SER 93 -9.996 -13.708 -3.398 598 HG SER 93 HG SER 93 -9.842 -10.839 -3.739 599 H GLU 94 H GLU 94 -6.742 -14.689 -5.406 600 HA GLU 94 HA GLU 94 -8.079 -16.048 -7.476 601 HB3 GLU 94 2HB GLU 94 -5.891 -17.596 -6.375 602 HG3 GLU 94 2HG GLU 94 -5.127 -15.984 -8.645 603 H ASN 95 H ASN 95 -8.624 -18.401 -7.480 604 HA ASN 95 HA ASN 95 -8.714 -19.912 -5.199 605 HB3 ASN 95 2HB ASN 95 -10.367 -18.588 -4.133 606 HD21 ASN 95 1HD2 ASN 95 -13.121 -18.928 -5.635 607 HD22 ASN 95 2HD2 ASN 95 -13.281 -17.448 -6.518 608 H MET 96 H MET 96 -10.873 -21.591 -5.582 609 HA MET 96 HA MET 96 -10.272 -22.863 -7.949 610 HB3 MET 96 2HB MET 96 -11.320 -23.904 -5.902 611 HG3 MET 96 2HG MET 96 -13.125 -21.805 -6.039 612 HE1 MET 96 3HE MET 96 -16.733 -22.299 -6.692 613 HE2 MET 96 1HE MET 96 -16.346 -23.522 -5.458 614 HE3 MET 96 2HE MET 96 -15.555 -21.928 -5.410 615 H CYS 97 H CYS 97 -12.506 -20.234 -7.241 616 HA CYS 97 HA CYS 97 -14.174 -20.668 -9.494 617 HB3 CYS 97 2HB CYS 97 -13.969 -17.939 -8.328 618 HG CYS 97 HG CYS 97 -15.779 -18.177 -10.055 619 H GLY 98 H GLY 98 -11.828 -17.996 -8.679 620 HA2 GLY 98 1HA GLY 98 -10.163 -18.144 -10.830 621 HA3 GLY 98 2HA GLY 98 -11.552 -17.269 -11.446 622 H LEU 99 H LEU 99 -10.967 -15.131 -11.534 623 HA LEU 99 HA LEU 99 -9.541 -14.053 -9.215 624 HB3 LEU 99 2HB LEU 99 -9.148 -12.118 -10.828 625 HG LEU 99 HG LEU 99 -7.312 -13.129 -12.015 626 HD11 LEU 99 1HD1 LEU 99 -7.136 -12.752 -9.546 627 HD12 LEU 99 2HD1 LEU 99 -7.504 -14.478 -9.311 628 HD13 LEU 99 3HD1 LEU 99 -6.033 -13.993 -10.190 629 HD21 LEU 99 3HD2 LEU 99 -8.743 -15.193 -12.649 630 HD22 LEU 99 1HD2 LEU 99 -6.991 -15.395 -12.407 631 HD23 LEU 99 2HD2 LEU 99 -8.129 -15.886 -11.129 632 H SER 100 H SER 100 -10.443 -12.479 -7.925 633 HA SER 100 HA SER 100 -13.079 -12.308 -7.621 634 HB3 SER 100 2HB SER 100 -10.839 -10.376 -7.036 635 HG SER 100 HG SER 100 -12.168 -8.824 -6.311 636 H GLU 101 H GLU 101 -14.834 -11.128 -8.468 637 HA GLU 101 HA GLU 101 -14.924 -10.472 -11.026 638 HB3 GLU 101 2HB GLU 101 -16.558 -8.518 -9.689 639 HG3 GLU 101 2HG GLU 101 -17.742 -11.183 -10.213 640 H ASP 102 H ASP 102 -13.791 -8.337 -8.362 641 HA ASP 102 HA ASP 102 -12.669 -6.630 -10.424 642 HB3 ASP 102 2HB ASP 102 -13.169 -4.743 -8.580 643 H ALA 103 H ALA 103 -11.031 -4.994 -9.177 644 HA ALA 103 HA ALA 103 -9.802 -6.433 -6.935 645 HB1 ALA 103 3HB ALA 103 -7.576 -5.822 -8.002 646 HB2 ALA 103 1HB ALA 103 -8.508 -7.076 -8.853 647 HB3 ALA 103 2HB ALA 103 -8.484 -5.408 -9.476 648 H THR 104 H THR 104 -9.326 -5.119 -5.225 649 HA THR 104 HA THR 104 -10.158 -2.416 -5.307 650 HB THR 104 HB THR 104 -8.662 -4.177 -3.308 651 HG1 THR 104 1HG THR 104 -10.843 -3.953 -2.351 652 HG21 THR 104 3HG2 THR 104 -9.963 -1.940 -2.060 653 HG22 THR 104 1HG2 THR 104 -8.228 -2.333 -2.034 654 HG23 THR 104 2HG2 THR 104 -8.882 -1.281 -3.311 655 H MET 105 H MET 105 -9.145 -1.032 -6.670 656 HA MET 105 HA MET 105 -6.313 -1.179 -6.946 657 HB3 MET 105 2HB MET 105 -8.309 0.942 -7.916 658 HG3 MET 105 2HG MET 105 -6.288 0.600 -9.824 659 HE1 MET 105 3HE MET 105 -7.482 2.376 -10.716 660 HE2 MET 105 1HE MET 105 -7.242 4.090 -10.300 661 HE3 MET 105 2HE MET 105 -5.866 3.108 -10.854 662 H THR 106 H THR 106 -4.797 0.569 -6.437 663 HA THR 106 HA THR 106 -5.463 1.824 -3.923 664 HB THR 106 HB THR 106 -3.004 2.476 -4.093 665 HG1 THR 106 1HG THR 106 -3.114 2.498 -6.501 666 HG21 THR 106 3HG2 THR 106 -4.096 -0.178 -3.848 667 HG22 THR 106 1HG2 THR 106 -2.644 -0.293 -4.870 668 HG23 THR 106 2HG2 THR 106 -2.530 0.411 -3.239 669 H LYS 107 H LYS 107 -6.837 3.522 -4.051 670 HA LYS 107 HA LYS 107 -6.901 5.275 -6.238 671 HB3 LYS 107 2HB LYS 107 -7.936 6.560 -3.920 672 HG3 LYS 107 2HG LYS 107 -10.090 5.370 -5.133 673 HD3 LYS 107 2HD LYS 107 -8.443 7.815 -5.774 674 HE3 LYS 107 2HE LYS 107 -10.931 6.984 -7.342 675 HZ1 LYS 107 3HZ LYS 107 -10.034 9.420 -6.826 676 HZ2 LYS 107 1HZ LYS 107 -9.205 9.103 -8.197 677 HZ3 LYS 107 2HZ LYS 107 -10.836 9.025 -8.192 678 H GLU 108 H GLU 108 -4.780 4.986 -3.473 679 HA GLU 108 HA GLU 108 -3.997 7.717 -3.522 680 HB3 GLU 108 2HB GLU 108 -1.990 6.241 -2.205 681 HG3 GLU 108 2HG GLU 108 -4.589 7.424 -1.113 682 H SER 109 H SER 109 -2.913 4.634 -4.963 683 HA SER 109 HA SER 109 -1.495 4.184 -6.543 684 HB3 SER 109 2HB SER 109 -1.328 7.191 -7.037 685 HG SER 109 HG SER 109 0.199 6.417 -8.385 686 H ALA 110 H ALA 110 0.937 4.643 -7.307 687 HA ALA 110 HA ALA 110 2.431 5.501 -4.923 688 HB1 ALA 110 3HB ALA 110 3.268 3.351 -6.898 689 HB2 ALA 110 1HB ALA 110 3.977 3.714 -5.306 690 HB3 ALA 110 2HB ALA 110 2.351 2.996 -5.415 691 H VAL 111 H VAL 111 3.533 7.351 -5.309 692 HA VAL 111 HA VAL 111 4.138 8.010 -8.081 693 HB VAL 111 HB VAL 111 3.943 9.523 -5.496 694 HG11 VAL 111 1HG1 VAL 111 4.670 11.543 -6.991 695 HG12 VAL 111 2HG1 VAL 111 5.909 10.516 -6.230 696 HG13 VAL 111 3HG1 VAL 111 5.503 10.297 -7.950 697 HG21 VAL 111 3HG2 VAL 111 1.902 9.823 -6.386 698 HG22 VAL 111 1HG2 VAL 111 2.704 10.967 -7.488 699 HG23 VAL 111 2HG2 VAL 111 2.424 9.286 -8.001 700 H ILE 112 H ILE 112 5.984 7.002 -8.768 701 HA ILE 112 HA ILE 112 8.056 6.176 -7.161 702 HB ILE 112 HB ILE 112 8.222 7.056 -10.044 703 HG13 ILE 112 2HG1 ILE 112 7.762 4.579 -10.466 704 HG21 ILE 112 1HG2 ILE 112 10.368 6.583 -8.767 705 HG22 ILE 112 2HG2 ILE 112 9.817 4.895 -8.663 706 HG23 ILE 112 3HG2 ILE 112 10.097 5.643 -10.254 707 HD11 ILE 112 3HD1 ILE 112 6.876 3.238 -8.805 708 HD12 ILE 112 1HD1 ILE 112 7.902 4.269 -7.778 709 HD13 ILE 112 2HD1 ILE 112 6.162 4.615 -7.930 710 H ALA 113 H ALA 113 10.126 7.036 -6.627 711 HA ALA 113 HA ALA 113 11.087 9.494 -7.397 712 HB1 ALA 113 3HB ALA 113 10.491 10.581 -5.000 713 HB2 ALA 113 1HB ALA 113 9.483 10.830 -6.446 714 HB3 ALA 113 2HB ALA 113 9.023 9.605 -5.240 715 H ARG 114 H ARG 114 13.168 9.764 -6.559 716 HA ARG 114 HA ARG 114 14.110 7.527 -5.100 717 HB3 ARG 114 2HB ARG 114 16.168 9.487 -5.227 718 HG3 ARG 114 2HG ARG 114 16.306 7.943 -7.597 719 HD3 ARG 114 2HD ARG 114 17.372 7.594 -4.768 720 HE ARG 114 HE ARG 114 17.177 5.419 -6.409 721 HH11 ARG 114 2HH2 ARG 114 19.923 7.434 -5.529 722 HH12 ARG 114 1HH2 ARG 114 21.080 6.158 -5.705 723 HH21 ARG 114 2HH1 ARG 114 18.703 3.734 -6.640 724 HH22 ARG 114 1HH1 ARG 114 20.381 4.038 -6.341 725 H ASP 115 H ASP 115 12.351 8.492 -3.347 726 HA ASP 115 HA ASP 115 13.735 10.388 -1.651 727 HB3 ASP 115 2HB ASP 115 11.372 10.861 -2.121 728 H GLY 116 H GLY 116 13.064 9.767 0.892 729 HA2 GLY 116 1HA GLY 116 12.637 7.593 2.136 730 HA3 GLY 116 2HA GLY 116 14.032 7.003 1.254 731 H LYS 117 H LYS 117 13.393 10.260 2.722 732 HA LYS 117 HA LYS 117 15.486 9.723 4.674 733 HB3 LYS 117 2HB LYS 117 16.054 12.315 3.830 734 HG3 LYS 117 2HG LYS 117 18.056 11.008 2.694 735 HD3 LYS 117 2HD LYS 117 17.321 11.457 5.519 736 HE3 LYS 117 2HE LYS 117 18.653 8.950 4.808 737 HZ1 LYS 117 3HZ LYS 117 20.495 9.231 6.280 738 HZ2 LYS 117 1HZ LYS 117 20.615 10.335 5.083 739 HZ3 LYS 117 2HZ LYS 117 20.115 10.793 6.569 740 H ILE 118 H ILE 118 14.323 9.933 6.523 741 HA ILE 118 HA ILE 118 13.006 10.799 8.066 742 HB ILE 118 HB ILE 118 14.691 12.695 7.575 743 HG13 ILE 118 2HG1 ILE 118 13.085 12.258 9.603 744 HG21 ILE 118 1HG2 ILE 118 12.315 13.575 6.045 745 HG22 ILE 118 2HG2 ILE 118 13.086 14.808 7.073 746 HG23 ILE 118 3HG2 ILE 118 14.038 13.963 5.829 747 HD11 ILE 118 3HD1 ILE 118 14.513 14.849 8.899 748 HD12 ILE 118 1HD1 ILE 118 13.734 14.614 10.483 749 HD13 ILE 118 2HD1 ILE 118 15.060 13.541 9.975 750 H TYR 119 H TYR 119 10.800 11.151 8.482 751 HA TYR 119 HA TYR 119 9.176 11.844 6.141 752 HB3 TYR 119 2HB TYR 119 7.702 9.913 6.810 753 HD1 TYR 119 2HD TYR 119 10.938 8.540 7.915 754 HD2 TYR 119 1HD TYR 119 8.354 9.211 4.571 755 HE1 TYR 119 2HE TYR 119 12.320 6.929 6.515 756 HE2 TYR 119 1HE TYR 119 9.745 7.598 3.183 757 HH TYR 119 HH TYR 119 12.383 5.769 4.649 758 H LYS 120 H LYS 120 7.782 13.465 6.615 759 HA LYS 120 HA LYS 120 6.604 14.927 7.778 760 HB3 LYS 120 2HB LYS 120 5.311 13.897 9.794 761 HG3 LYS 120 2HG LYS 120 5.083 13.525 6.872 762 HD3 LYS 120 2HD LYS 120 4.673 11.181 8.357 763 HE3 LYS 120 2HE LYS 120 2.200 12.859 8.295 764 HZ1 LYS 120 3HZ LYS 120 0.825 11.219 7.619 765 HZ2 LYS 120 1HZ LYS 120 2.083 10.881 6.633 766 HZ3 LYS 120 2HZ LYS 120 1.848 10.001 7.988 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -13.580 -3.162 23.604 2 HA2 GLY 1 1HA GLY 1 -11.138 -3.498 22.211 3 HA3 GLY 1 2HA GLY 1 -11.309 -4.752 23.425 4 H SER 2 H SER 2 -11.260 -5.651 20.873 5 HA SER 2 HA SER 2 -13.967 -6.569 20.567 6 HB3 SER 2 2HB SER 2 -14.124 -4.779 19.019 7 HG SER 2 HG SER 2 -12.303 -4.740 17.278 8 H SER 3 H SER 3 -13.156 -8.629 21.241 9 HA SER 3 HA SER 3 -12.139 -10.193 19.182 10 HB3 SER 3 2HB SER 3 -10.024 -10.711 20.933 11 HG SER 3 HG SER 3 -8.771 -9.460 19.264 12 H GLY 4 H GLY 4 -12.155 -12.484 19.786 13 HA2 GLY 4 1HA GLY 4 -12.176 -13.872 21.948 14 HA3 GLY 4 2HA GLY 4 -13.617 -12.941 22.303 15 H SER 5 H SER 5 -12.141 -14.961 19.670 16 HA SER 5 HA SER 5 -14.739 -16.202 19.374 17 HB3 SER 5 2HB SER 5 -14.633 -14.428 17.638 18 HG SER 5 HG SER 5 -12.357 -15.915 16.635 19 H SER 6 H SER 6 -14.486 -18.235 17.849 20 HA SER 6 HA SER 6 -11.968 -19.267 17.372 21 HB3 SER 6 2HB SER 6 -11.870 -19.360 19.884 22 HG SER 6 HG SER 6 -13.374 -21.582 20.258 23 H GLY 7 H GLY 7 -12.122 -21.376 16.320 24 HA2 GLY 7 1HA GLY 7 -13.377 -23.317 15.777 25 HA3 GLY 7 2HA GLY 7 -14.863 -22.429 16.048 26 H ALA 8 H ALA 8 -15.900 -22.386 14.081 27 HA ALA 8 HA ALA 8 -14.427 -21.121 11.894 28 HB1 ALA 8 3HB ALA 8 -14.969 -22.797 10.346 29 HB2 ALA 8 1HB ALA 8 -14.532 -23.731 11.797 30 HB3 ALA 8 2HB ALA 8 -16.245 -23.481 11.382 31 H SER 9 H SER 9 -15.952 -20.243 10.207 32 HA SER 9 HA SER 9 -18.504 -19.615 11.473 33 HB3 SER 9 2HB SER 9 -17.599 -17.673 9.459 34 HG SER 9 HG SER 9 -19.255 -17.495 11.300 35 H ILE 10 H ILE 10 -20.075 -20.764 10.398 36 HA ILE 10 HA ILE 10 -19.793 -20.953 7.480 37 HB ILE 10 HB ILE 10 -21.259 -22.843 9.320 38 HG13 ILE 10 2HG1 ILE 10 -18.460 -22.567 8.967 39 HG21 ILE 10 1HG2 ILE 10 -22.262 -23.296 7.347 40 HG22 ILE 10 2HG2 ILE 10 -20.935 -22.607 6.381 41 HG23 ILE 10 3HG2 ILE 10 -20.781 -24.241 7.070 42 HD11 ILE 10 3HD1 ILE 10 -19.256 -23.431 11.018 43 HD12 ILE 10 1HD1 ILE 10 -20.345 -24.587 10.215 44 HD13 ILE 10 2HD1 ILE 10 -18.587 -24.871 10.213 45 H ASP 11 H ASP 11 -20.728 -18.699 7.549 46 HA ASP 11 HA ASP 11 -23.611 -18.982 7.540 47 HB3 ASP 11 2HB ASP 11 -22.393 -16.416 8.572 48 H ILE 12 H ILE 12 -24.587 -17.706 5.850 49 HA ILE 12 HA ILE 12 -24.514 -16.896 3.760 50 HB ILE 12 HB ILE 12 -23.312 -14.762 5.502 51 HG13 ILE 12 2HG1 ILE 12 -25.657 -15.512 5.895 52 HG21 ILE 12 1HG2 ILE 12 -22.539 -13.807 3.617 53 HG22 ILE 12 2HG2 ILE 12 -23.580 -14.790 2.559 54 HG23 ILE 12 3HG2 ILE 12 -24.245 -13.358 3.380 55 HD11 ILE 12 3HD1 ILE 12 -26.516 -12.987 5.097 56 HD12 ILE 12 1HD1 ILE 12 -25.701 -13.359 6.635 57 HD13 ILE 12 2HD1 ILE 12 -24.755 -12.776 5.245 58 H GLN 13 H GLN 13 -23.088 -18.604 2.928 59 HA GLN 13 HA GLN 13 -20.355 -17.685 2.573 60 HB3 GLN 13 2HB GLN 13 -20.284 -20.204 1.590 61 HG3 GLN 13 2HG GLN 13 -20.412 -19.601 4.582 62 HE21 GLN 13 1HE2 GLN 13 -18.437 -20.776 5.556 63 HE22 GLN 13 2HE2 GLN 13 -18.262 -22.450 5.142 64 H ILE 14 H ILE 14 -19.909 -16.633 0.690 65 HA ILE 14 HA ILE 14 -21.753 -16.825 -1.497 66 HB ILE 14 HB ILE 14 -19.139 -15.337 -1.215 67 HG13 ILE 14 2HG1 ILE 14 -20.570 -13.372 -0.768 68 HG21 ILE 14 1HG2 ILE 14 -19.346 -14.688 -3.325 69 HG22 ILE 14 2HG2 ILE 14 -20.678 -15.853 -3.515 70 HG23 ILE 14 3HG2 ILE 14 -21.027 -14.171 -3.050 71 HD11 ILE 14 3HD1 ILE 14 -22.656 -15.042 -1.650 72 HD12 ILE 14 1HD1 ILE 14 -22.892 -14.930 0.111 73 HD13 ILE 14 2HD1 ILE 14 -22.835 -13.450 -0.876 74 H ILE 15 H ILE 15 -21.610 -19.095 -2.024 75 HA ILE 15 HA ILE 15 -19.253 -20.429 -2.550 76 HB ILE 15 HB ILE 15 -20.566 -22.086 -3.490 77 HG13 ILE 15 2HG1 ILE 15 -22.299 -19.846 -4.479 78 HG21 ILE 15 1HG2 ILE 15 -22.120 -22.470 -1.867 79 HG22 ILE 15 2HG2 ILE 15 -21.236 -21.123 -1.110 80 HG23 ILE 15 3HG2 ILE 15 -22.780 -20.818 -1.943 81 HD11 ILE 15 3HD1 ILE 15 -21.889 -22.310 -6.057 82 HD12 ILE 15 1HD1 ILE 15 -21.635 -20.610 -6.519 83 HD13 ILE 15 2HD1 ILE 15 -20.370 -21.489 -5.627 84 H ASP 16 H ASP 16 -21.174 -18.176 -4.563 85 HA ASP 16 HA ASP 16 -19.982 -18.729 -6.970 86 HB3 ASP 16 2HB ASP 16 -20.417 -15.927 -6.907 87 H ARG 17 H ARG 17 -18.636 -16.666 -8.080 88 HA ARG 17 HA ARG 17 -16.115 -16.849 -7.201 89 HB3 ARG 17 2HB ARG 17 -15.907 -14.443 -8.353 90 HG3 ARG 17 2HG ARG 17 -16.763 -17.060 -9.631 91 HD3 ARG 17 2HD ARG 17 -15.610 -14.945 -11.392 92 HE ARG 17 HE ARG 17 -17.959 -16.454 -12.227 93 HH11 ARG 17 2HH2 ARG 17 -14.486 -16.674 -11.705 94 HH12 ARG 17 1HH2 ARG 17 -14.273 -17.984 -12.820 95 HH21 ARG 17 2HH1 ARG 17 -17.678 -18.180 -13.697 96 HH22 ARG 17 1HH1 ARG 17 -16.100 -18.845 -13.961 97 HA PRO 18 HA PRO 18 -15.865 -14.282 -3.680 98 HB3 PRO 18 2HB PRO 18 -13.936 -15.318 -2.967 99 HG3 PRO 18 2HG PRO 18 -12.756 -16.404 -4.626 100 HD3 PRO 18 2HD PRO 18 -14.444 -16.793 -6.138 101 H GLY 19 H GLY 19 -14.907 -12.148 -2.788 102 HA2 GLY 19 1HA GLY 19 -15.371 -10.201 -4.947 103 HA3 GLY 19 2HA GLY 19 -15.580 -9.930 -3.228 104 HA PRO 20 HA PRO 20 -11.478 -8.318 -4.314 105 HB3 PRO 20 2HB PRO 20 -12.082 -6.214 -5.031 106 HG3 PRO 20 2HG PRO 20 -14.291 -5.667 -4.658 107 HD3 PRO 20 2HD PRO 20 -15.221 -7.767 -4.559 108 HA PRO 21 HA PRO 21 -9.708 -8.663 -0.470 109 HB3 PRO 21 2HB PRO 21 -7.548 -8.561 -1.261 110 HG3 PRO 21 2HG PRO 21 -7.305 -7.415 -3.248 111 HD3 PRO 21 2HD PRO 21 -9.427 -7.628 -4.105 112 H GLN 22 H GLN 22 -9.404 -7.898 1.700 113 HA GLN 22 HA GLN 22 -11.352 -6.221 2.473 114 HB3 GLN 22 2HB GLN 22 -9.424 -5.757 4.406 115 HG3 GLN 22 2HG GLN 22 -10.646 -8.495 4.349 116 HE21 GLN 22 1HE2 GLN 22 -10.682 -5.218 5.746 117 HE22 GLN 22 2HE2 GLN 22 -10.540 -5.685 7.408 118 H ILE 23 H ILE 23 -7.977 -5.370 1.532 119 HA ILE 23 HA ILE 23 -8.740 -2.820 0.657 120 HB ILE 23 HB ILE 23 -8.818 -2.671 3.250 121 HG13 ILE 23 2HG1 ILE 23 -8.788 -0.441 2.957 122 HG21 ILE 23 1HG2 ILE 23 -6.717 -3.684 3.789 123 HG22 ILE 23 2HG2 ILE 23 -5.837 -2.554 2.731 124 HG23 ILE 23 3HG2 ILE 23 -6.626 -1.958 4.211 125 HD11 ILE 23 3HD1 ILE 23 -6.877 0.714 1.656 126 HD12 ILE 23 1HD1 ILE 23 -6.443 -0.037 3.210 127 HD13 ILE 23 2HD1 ILE 23 -6.059 -0.867 1.683 128 H VAL 24 H VAL 24 -6.752 -1.539 -0.042 129 HA VAL 24 HA VAL 24 -4.391 -3.236 -0.275 130 HB VAL 24 HB VAL 24 -5.925 -2.023 -2.582 131 HG11 VAL 24 1HG1 VAL 24 -4.132 -2.839 -4.036 132 HG12 VAL 24 2HG1 VAL 24 -3.503 -1.662 -2.858 133 HG13 VAL 24 3HG1 VAL 24 -3.218 -3.403 -2.616 134 HG21 VAL 24 3HG2 VAL 24 -5.102 -4.912 -2.205 135 HG22 VAL 24 1HG2 VAL 24 -6.650 -4.272 -1.601 136 HG23 VAL 24 2HG2 VAL 24 -6.290 -4.232 -3.344 137 H LYS 25 H LYS 25 -2.675 -2.063 0.390 138 HA LYS 25 HA LYS 25 -2.742 0.814 -0.177 139 HB3 LYS 25 2HB LYS 25 -1.395 0.842 2.127 140 HG3 LYS 25 2HG LYS 25 -4.351 0.600 2.513 141 HD3 LYS 25 2HD LYS 25 -3.432 3.241 2.923 142 HE3 LYS 25 2HE LYS 25 -4.322 0.924 4.522 143 HZ1 LYS 25 3HZ LYS 25 -2.790 2.986 5.923 144 HZ2 LYS 25 1HZ LYS 25 -3.373 1.580 6.514 145 HZ3 LYS 25 2HZ LYS 25 -2.103 1.570 5.488 146 H ILE 26 H ILE 26 -0.391 1.741 0.156 147 HA ILE 26 HA ILE 26 1.446 -0.224 -1.029 148 HB ILE 26 HB ILE 26 1.156 2.731 -1.566 149 HG13 ILE 26 2HG1 ILE 26 -0.179 0.553 -2.682 150 HG21 ILE 26 1HG2 ILE 26 3.100 0.989 -3.033 151 HG22 ILE 26 2HG2 ILE 26 3.106 2.751 -2.777 152 HG23 ILE 26 3HG2 ILE 26 3.552 1.657 -1.445 153 HD11 ILE 26 3HD1 ILE 26 -0.623 2.329 -4.552 154 HD12 ILE 26 1HD1 ILE 26 -1.129 2.712 -2.888 155 HD13 ILE 26 2HD1 ILE 26 0.371 3.408 -3.544 156 H GLU 27 H GLU 27 2.707 -0.916 0.641 157 HA GLU 27 HA GLU 27 3.181 0.228 2.970 158 HB3 GLU 27 2HB GLU 27 5.703 -0.844 1.932 159 HG3 GLU 27 2HG GLU 27 3.851 -2.472 3.628 160 H ASP 28 H ASP 28 4.992 0.950 -0.079 161 HA ASP 28 HA ASP 28 5.297 3.591 0.441 162 HB3 ASP 28 2HB ASP 28 8.031 2.499 0.905 163 H VAL 29 H VAL 29 7.506 4.394 -0.885 164 HA VAL 29 HA VAL 29 8.161 2.510 -2.986 165 HB VAL 29 HB VAL 29 6.192 3.411 -3.920 166 HG11 VAL 29 1HG1 VAL 29 5.894 5.307 -2.382 167 HG12 VAL 29 2HG1 VAL 29 7.209 6.182 -3.203 168 HG13 VAL 29 3HG1 VAL 29 5.706 5.809 -4.080 169 HG21 VAL 29 3HG2 VAL 29 8.526 4.996 -5.046 170 HG22 VAL 29 1HG2 VAL 29 8.123 3.309 -5.448 171 HG23 VAL 29 2HG2 VAL 29 7.002 4.621 -5.886 172 H TRP 30 H TRP 30 10.320 2.640 -3.303 173 HA TRP 30 HA TRP 30 11.573 5.258 -2.850 174 HB3 TRP 30 2HB TRP 30 12.008 3.968 -0.879 175 HD1 TRP 30 HD TRP 30 14.738 1.876 -2.324 176 HE1 TRP 30 1HE TRP 30 14.284 -0.715 -2.102 177 HE3 TRP 30 3HE TRP 30 9.834 2.311 -1.051 178 HZ2 TRP 30 2HZ TRP 30 11.976 -2.256 -1.435 179 HZ3 TRP 30 3HZ TRP 30 8.552 0.214 -0.631 180 HH2 TRP 30 HH TRP 30 9.547 -2.012 -0.805 181 H GLY 31 H GLY 31 13.550 5.559 -4.150 182 HA2 GLY 31 1HA GLY 31 14.395 5.588 -6.266 183 HA3 GLY 31 2HA GLY 31 14.845 3.953 -5.822 184 H GLU 32 H GLU 32 14.290 2.432 -7.310 185 HA GLU 32 HA GLU 32 11.914 3.006 -8.901 186 HB3 GLU 32 2HB GLU 32 12.930 1.611 -10.665 187 HG3 GLU 32 2HG GLU 32 14.990 3.578 -9.562 188 H ASN 33 H ASN 33 11.459 1.953 -6.372 189 HA ASN 33 HA ASN 33 10.565 -0.698 -7.108 190 HB3 ASN 33 2HB ASN 33 11.284 -1.635 -4.926 191 HD21 ASN 33 1HD2 ASN 33 13.709 0.831 -5.528 192 HD22 ASN 33 2HD2 ASN 33 14.873 -0.167 -6.336 193 H VAL 34 H VAL 34 8.478 -1.136 -6.215 194 HA VAL 34 HA VAL 34 7.433 0.951 -4.425 195 HB VAL 34 HB VAL 34 6.395 -0.283 -6.912 196 HG11 VAL 34 1HG1 VAL 34 4.709 0.139 -4.451 197 HG12 VAL 34 2HG1 VAL 34 4.018 0.365 -6.075 198 HG13 VAL 34 3HG1 VAL 34 4.700 -1.212 -5.609 199 HG21 VAL 34 3HG2 VAL 34 5.483 1.919 -7.275 200 HG22 VAL 34 1HG2 VAL 34 5.814 2.386 -5.589 201 HG23 VAL 34 2HG2 VAL 34 7.163 2.091 -6.712 202 H ALA 35 H ALA 35 6.041 0.265 -2.717 203 HA ALA 35 HA ALA 35 6.192 -2.629 -2.217 204 HB1 ALA 35 3HB ALA 35 6.029 -1.813 0.242 205 HB2 ALA 35 1HB ALA 35 7.581 -1.612 -0.605 206 HB3 ALA 35 2HB ALA 35 6.489 -0.221 -0.407 207 H LEU 36 H LEU 36 4.245 -3.610 -2.382 208 HA LEU 36 HA LEU 36 1.879 -1.933 -1.952 209 HB3 LEU 36 2HB LEU 36 0.828 -4.038 -3.126 210 HG LEU 36 HG LEU 36 2.298 -1.769 -4.420 211 HD11 LEU 36 1HD1 LEU 36 1.018 -2.878 -6.557 212 HD12 LEU 36 2HD1 LEU 36 2.758 -3.033 -6.214 213 HD13 LEU 36 3HD1 LEU 36 1.637 -4.326 -5.726 214 HD21 LEU 36 3HD2 LEU 36 -0.457 -2.244 -5.207 215 HD22 LEU 36 1HD2 LEU 36 -0.283 -2.156 -3.438 216 HD23 LEU 36 2HD2 LEU 36 0.291 -0.813 -4.458 217 H THR 37 H THR 37 0.093 -2.800 -0.694 218 HA THR 37 HA THR 37 0.638 -5.162 0.891 219 HB THR 37 HB THR 37 0.074 -3.541 2.965 220 HG1 THR 37 1HG THR 37 1.154 -1.456 2.418 221 HG21 THR 37 3HG2 THR 37 2.305 -3.714 3.557 222 HG22 THR 37 1HG2 THR 37 2.401 -4.761 2.121 223 HG23 THR 37 2HG2 THR 37 2.862 -3.046 2.004 224 H TRP 38 H TRP 38 -1.157 -6.313 0.568 225 HA TRP 38 HA TRP 38 -3.695 -4.830 0.708 226 HB3 TRP 38 2HB TRP 38 -3.344 -5.588 -1.539 227 HD1 TRP 38 HD TRP 38 -4.301 -9.152 -0.703 228 HE1 TRP 38 1HE TRP 38 -2.491 -10.891 -1.516 229 HE3 TRP 38 3HE TRP 38 -0.725 -5.709 -1.805 230 HZ2 TRP 38 2HZ TRP 38 0.174 -10.638 -2.508 231 HZ3 TRP 38 3HZ TRP 38 1.453 -6.539 -2.690 232 HH2 TRP 38 HH TRP 38 1.929 -8.910 -3.045 233 H THR 39 H THR 39 -5.432 -5.939 1.848 234 HA THR 39 HA THR 39 -4.380 -7.799 3.848 235 HB THR 39 HB THR 39 -6.510 -7.127 5.042 236 HG1 THR 39 1HG THR 39 -7.317 -6.620 2.650 237 HG21 THR 39 3HG2 THR 39 -5.955 -4.747 5.413 238 HG22 THR 39 1HG2 THR 39 -4.445 -5.686 5.327 239 HG23 THR 39 2HG2 THR 39 -4.973 -4.722 3.928 240 HA PRO 40 HA PRO 40 -6.573 -11.154 2.321 241 HB3 PRO 40 2HB PRO 40 -5.623 -12.589 3.850 242 HG3 PRO 40 2HG PRO 40 -4.883 -11.581 5.788 243 HD3 PRO 40 2HD PRO 40 -4.556 -9.434 5.031 244 HA PRO 41 HA PRO 41 -10.784 -10.641 2.303 245 HB3 PRO 41 2HB PRO 41 -11.091 -12.022 0.487 246 HG3 PRO 41 2HG PRO 41 -9.440 -13.607 0.192 247 HD3 PRO 41 2HD PRO 41 -7.694 -12.585 1.283 248 H LYS 42 H LYS 42 -12.515 -10.390 3.631 249 HA LYS 42 HA LYS 42 -12.162 -11.675 6.187 250 HB3 LYS 42 2HB LYS 42 -14.559 -10.022 5.769 251 HG3 LYS 42 2HG LYS 42 -12.188 -9.455 7.570 252 HD3 LYS 42 2HD LYS 42 -13.928 -8.660 9.094 253 HE3 LYS 42 2HE LYS 42 -14.240 -7.746 6.206 254 HZ1 LYS 42 3HZ LYS 42 -15.775 -7.045 8.537 255 HZ2 LYS 42 1HZ LYS 42 -15.230 -5.790 7.647 256 HZ3 LYS 42 2HZ LYS 42 -16.169 -6.934 6.956 257 H ASP 43 H ASP 43 -13.602 -12.475 3.222 258 HA ASP 43 HA ASP 43 -15.901 -13.733 4.337 259 HB3 ASP 43 2HB ASP 43 -14.598 -13.622 1.600 260 H ASP 44 H ASP 44 -13.578 -15.235 2.011 261 HA ASP 44 HA ASP 44 -12.762 -17.257 1.916 262 HB3 ASP 44 2HB ASP 44 -12.034 -16.554 4.797 263 H GLY 45 H GLY 45 -15.271 -17.876 2.010 264 HA2 GLY 45 1HA GLY 45 -15.593 -19.863 4.167 265 HA3 GLY 45 2HA GLY 45 -16.879 -18.731 3.799 266 H ASN 46 H ASN 46 -14.570 -20.711 1.793 267 HA ASN 46 HA ASN 46 -16.433 -22.513 0.930 268 HB3 ASN 46 2HB ASN 46 -17.714 -20.993 -0.336 269 HD21 ASN 46 1HD2 ASN 46 -17.702 -18.938 0.393 270 HD22 ASN 46 2HD2 ASN 46 -16.677 -17.678 -0.206 271 H ALA 47 H ALA 47 -13.661 -20.363 0.137 272 HA ALA 47 HA ALA 47 -12.266 -22.707 -0.959 273 HB1 ALA 47 3HB ALA 47 -11.180 -21.221 -2.574 274 HB2 ALA 47 1HB ALA 47 -12.947 -21.121 -2.753 275 HB3 ALA 47 2HB ALA 47 -12.063 -19.823 -1.916 276 H ALA 48 H ALA 48 -9.720 -21.878 -1.089 277 HA ALA 48 HA ALA 48 -9.179 -20.852 1.615 278 HB1 ALA 48 3HB ALA 48 -7.558 -22.863 0.003 279 HB2 ALA 48 1HB ALA 48 -7.264 -22.348 1.681 280 HB3 ALA 48 2HB ALA 48 -8.717 -23.295 1.282 281 H ILE 49 H ILE 49 -9.459 -19.646 -1.275 282 HA ILE 49 HA ILE 49 -8.368 -18.235 -2.603 283 HB ILE 49 HB ILE 49 -7.116 -17.265 -0.036 284 HG13 ILE 49 2HG1 ILE 49 -9.963 -17.181 -0.970 285 HG21 ILE 49 1HG2 ILE 49 -8.048 -15.708 -2.460 286 HG22 ILE 49 2HG2 ILE 49 -7.127 -15.106 -1.060 287 HG23 ILE 49 3HG2 ILE 49 -6.371 -16.246 -2.200 288 HD11 ILE 49 3HD1 ILE 49 -9.667 -18.629 0.870 289 HD12 ILE 49 1HD1 ILE 49 -8.425 -17.590 1.609 290 HD13 ILE 49 2HD1 ILE 49 -10.135 -17.099 1.652 291 H THR 50 H THR 50 -7.168 -19.975 -3.667 292 HA THR 50 HA THR 50 -4.834 -21.098 -2.963 293 HB THR 50 HB THR 50 -4.413 -21.243 -5.409 294 HG1 THR 50 1HG THR 50 -6.557 -19.237 -5.441 295 HG21 THR 50 3HG2 THR 50 -6.700 -22.188 -4.233 296 HG22 THR 50 1HG2 THR 50 -7.409 -21.060 -5.413 297 HG23 THR 50 2HG2 THR 50 -6.358 -22.385 -5.969 298 H GLY 51 H GLY 51 -5.195 -17.761 -4.294 299 HA2 GLY 51 1HA GLY 51 -2.903 -16.874 -2.847 300 HA3 GLY 51 2HA GLY 51 -2.535 -17.100 -4.546 301 H TYR 52 H TYR 52 -2.194 -14.726 -4.612 302 HA TYR 52 HA TYR 52 -4.751 -13.366 -5.055 303 HB3 TYR 52 2HB TYR 52 -3.639 -11.371 -3.911 304 HD1 TYR 52 1HD TYR 52 -5.777 -11.801 -2.708 305 HD2 TYR 52 2HD TYR 52 -2.195 -13.942 -1.765 306 HE1 TYR 52 1HE TYR 52 -6.791 -12.538 -0.495 307 HE2 TYR 52 2HE TYR 52 -3.220 -14.671 0.444 308 HH TYR 52 HH TYR 52 -5.864 -13.222 1.768 309 H THR 53 H THR 53 -4.817 -12.521 -7.073 310 HA THR 53 HA THR 53 -2.367 -12.401 -8.599 311 HB THR 53 HB THR 53 -5.327 -11.906 -9.204 312 HG1 THR 53 1HG THR 53 -3.280 -13.916 -9.836 313 HG21 THR 53 3HG2 THR 53 -3.926 -10.614 -10.819 314 HG22 THR 53 1HG2 THR 53 -2.914 -12.054 -11.089 315 HG23 THR 53 2HG2 THR 53 -4.619 -12.054 -11.602 316 H ILE 54 H ILE 54 -1.680 -10.501 -9.813 317 HA ILE 54 HA ILE 54 -2.542 -7.995 -8.573 318 HB ILE 54 HB ILE 54 0.252 -9.090 -8.720 319 HG13 ILE 54 2HG1 ILE 54 -1.652 -8.837 -6.668 320 HG21 ILE 54 1HG2 ILE 54 1.160 -6.901 -8.297 321 HG22 ILE 54 2HG2 ILE 54 0.223 -6.858 -9.809 322 HG23 ILE 54 3HG2 ILE 54 -0.464 -6.174 -8.316 323 HD11 ILE 54 3HD1 ILE 54 1.239 -9.574 -6.969 324 HD12 ILE 54 1HD1 ILE 54 0.656 -9.251 -5.318 325 HD13 ILE 54 2HD1 ILE 54 -0.111 -10.521 -6.300 326 H GLN 55 H GLN 55 -2.052 -6.085 -9.923 327 HA GLN 55 HA GLN 55 -1.178 -6.610 -12.584 328 HB3 GLN 55 2HB GLN 55 -3.322 -5.653 -13.597 329 HG3 GLN 55 2HG GLN 55 -3.701 -8.274 -12.081 330 HE21 GLN 55 1HE2 GLN 55 -4.592 -9.863 -13.799 331 HE22 GLN 55 2HE2 GLN 55 -5.955 -9.308 -14.713 332 H LYS 56 H LYS 56 -0.178 -4.786 -13.404 333 HA LYS 56 HA LYS 56 -0.719 -2.285 -11.958 334 HB3 LYS 56 2HB LYS 56 1.790 -1.898 -12.845 335 HG3 LYS 56 2HG LYS 56 0.520 -2.729 -10.339 336 HD3 LYS 56 2HD LYS 56 3.158 -3.152 -9.583 337 HE3 LYS 56 2HE LYS 56 2.048 -5.733 -10.038 338 HZ1 LYS 56 3HZ LYS 56 2.586 -3.981 -7.911 339 HZ2 LYS 56 1HZ LYS 56 1.195 -4.788 -7.625 340 HZ3 LYS 56 2HZ LYS 56 2.574 -5.614 -7.917 341 H ALA 57 H ALA 57 -0.443 -0.294 -13.253 342 HA ALA 57 HA ALA 57 -0.357 -0.620 -16.112 343 HB1 ALA 57 3HB ALA 57 -2.720 -1.163 -15.567 344 HB2 ALA 57 1HB ALA 57 -2.877 0.407 -14.744 345 HB3 ALA 57 2HB ALA 57 -2.579 0.348 -16.498 346 H ASP 58 H ASP 58 0.178 1.344 -17.161 347 HA ASP 58 HA ASP 58 1.233 3.285 -15.353 348 HB3 ASP 58 2HB ASP 58 2.610 3.826 -17.094 349 H LYS 59 H LYS 59 0.829 5.727 -15.940 350 HA LYS 59 HA LYS 59 -2.041 6.062 -16.277 351 HB3 LYS 59 2HB LYS 59 -1.120 8.530 -15.655 352 HG3 LYS 59 2HG LYS 59 -1.182 6.997 -13.208 353 HD3 LYS 59 2HD LYS 59 -2.187 9.309 -13.792 354 HE3 LYS 59 2HE LYS 59 -4.272 7.433 -14.986 355 HZ1 LYS 59 3HZ LYS 59 -5.682 8.787 -13.935 356 HZ2 LYS 59 1HZ LYS 59 -4.584 9.966 -13.667 357 HZ3 LYS 59 2HZ LYS 59 -5.315 9.847 -15.122 358 H LYS 60 H LYS 60 -0.203 5.326 -18.538 359 HA LYS 60 HA LYS 60 -0.677 7.727 -20.165 360 HB3 LYS 60 2HB LYS 60 1.258 7.014 -21.538 361 HG3 LYS 60 2HG LYS 60 1.282 8.207 -18.951 362 HD3 LYS 60 2HD LYS 60 2.768 5.814 -18.820 363 HE3 LYS 60 2HE LYS 60 5.109 6.860 -18.444 364 HZ1 LYS 60 3HZ LYS 60 5.429 5.778 -20.316 365 HZ2 LYS 60 1HZ LYS 60 3.871 5.951 -20.775 366 HZ3 LYS 60 2HZ LYS 60 4.973 7.087 -21.179 367 H SER 61 H SER 61 -0.683 4.138 -19.938 368 HA SER 61 HA SER 61 -2.452 4.174 -22.257 369 HB3 SER 61 2HB SER 61 -1.714 1.766 -22.586 370 HG SER 61 HG SER 61 0.372 2.334 -23.446 371 H MET 62 H MET 62 -1.949 3.359 -18.886 372 HA MET 62 HA MET 62 -3.233 2.528 -17.341 373 HB3 MET 62 2HB MET 62 -5.796 2.543 -17.838 374 HG3 MET 62 2HG MET 62 -5.032 5.241 -18.680 375 HE1 MET 62 3HE MET 62 -5.607 2.683 -15.802 376 HE2 MET 62 1HE MET 62 -4.770 4.010 -14.961 377 HE3 MET 62 2HE MET 62 -6.475 3.658 -14.592 378 H GLU 63 H GLU 63 -2.069 0.759 -19.513 379 HA GLU 63 HA GLU 63 -3.984 -1.321 -19.818 380 HB3 GLU 63 2HB GLU 63 -1.946 -2.545 -20.803 381 HG3 GLU 63 2HG GLU 63 -2.787 0.194 -21.854 382 H TRP 64 H TRP 64 -4.093 -3.306 -18.711 383 HA TRP 64 HA TRP 64 -2.425 -3.419 -16.297 384 HB3 TRP 64 2HB TRP 64 -4.205 -4.807 -15.351 385 HD1 TRP 64 HD TRP 64 -6.349 -2.268 -17.287 386 HE1 TRP 64 1HE TRP 64 -7.024 -0.220 -15.766 387 HE3 TRP 64 3HE TRP 64 -3.368 -3.527 -13.365 388 HZ2 TRP 64 2HZ TRP 64 -6.251 0.624 -13.151 389 HZ3 TRP 64 3HZ TRP 64 -3.387 -2.037 -11.367 390 HH2 TRP 64 HH TRP 64 -4.764 -0.022 -11.220 391 H PHE 65 H PHE 65 -0.983 -5.104 -16.112 392 HA PHE 65 HA PHE 65 -1.380 -7.385 -17.900 393 HB3 PHE 65 2HB PHE 65 0.306 -5.756 -18.842 394 HD1 PHE 65 1HD PHE 65 0.584 -3.750 -17.398 395 HD2 PHE 65 2HD PHE 65 2.714 -7.345 -16.660 396 HE1 PHE 65 1HE PHE 65 2.203 -2.494 -15.948 397 HE2 PHE 65 2HE PHE 65 4.333 -6.089 -15.210 398 HZ PHE 65 HZ PHE 65 4.058 -3.679 -14.871 399 H THR 66 H THR 66 -1.448 -9.234 -16.721 400 HA THR 66 HA THR 66 -1.195 -9.479 -14.062 401 HB THR 66 HB THR 66 -0.323 -11.510 -16.187 402 HG1 THR 66 1HG THR 66 -2.832 -10.680 -14.911 403 HG21 THR 66 3HG2 THR 66 -0.966 -11.667 -13.254 404 HG22 THR 66 1HG2 THR 66 -1.724 -12.894 -14.296 405 HG23 THR 66 2HG2 THR 66 0.048 -12.742 -14.246 406 H VAL 67 H VAL 67 0.299 -9.024 -12.586 407 HA VAL 67 HA VAL 67 3.070 -8.908 -13.480 408 HB VAL 67 HB VAL 67 1.449 -7.730 -11.271 409 HG11 VAL 67 1HG1 VAL 67 3.892 -6.979 -10.433 410 HG12 VAL 67 2HG1 VAL 67 3.032 -8.391 -9.774 411 HG13 VAL 67 3HG1 VAL 67 4.282 -8.613 -11.023 412 HG21 VAL 67 3HG2 VAL 67 3.094 -6.830 -13.548 413 HG22 VAL 67 1HG2 VAL 67 1.695 -6.058 -12.763 414 HG23 VAL 67 2HG2 VAL 67 3.320 -5.887 -12.055 415 H ILE 68 H ILE 68 0.849 -10.636 -11.270 416 HA ILE 68 HA ILE 68 2.731 -12.789 -11.115 417 HB ILE 68 HB ILE 68 3.242 -10.933 -9.291 418 HG13 ILE 68 2HG1 ILE 68 4.011 -13.507 -9.737 419 HG21 ILE 68 1HG2 ILE 68 0.916 -10.972 -8.410 420 HG22 ILE 68 2HG2 ILE 68 1.183 -12.651 -7.883 421 HG23 ILE 68 3HG2 ILE 68 2.156 -11.333 -7.185 422 HD11 ILE 68 3HD1 ILE 68 5.506 -11.726 -8.975 423 HD12 ILE 68 1HD1 ILE 68 4.702 -11.684 -7.389 424 HD13 ILE 68 2HD1 ILE 68 5.653 -13.111 -7.867 425 H GLU 69 H GLU 69 1.735 -14.723 -10.105 426 HA GLU 69 HA GLU 69 -1.106 -14.463 -9.675 427 HB3 GLU 69 2HB GLU 69 -1.432 -16.529 -11.213 428 HG3 GLU 69 2HG GLU 69 -0.584 -14.241 -12.941 429 H HIS 70 H HIS 70 -2.035 -16.354 -8.547 430 HA HIS 70 HA HIS 70 -1.967 -17.797 -6.890 431 HB3 HIS 70 2HB HIS 70 -0.653 -19.835 -7.246 432 HD1 HIS 70 1HD HIS 70 -1.524 -21.602 -8.942 433 HD2 HIS 70 2HD HIS 70 -2.499 -17.644 -9.934 434 HE1 HIS 70 1HE HIS 70 -3.268 -21.740 -10.800 435 H TYR 71 H TYR 71 -1.057 -15.654 -5.806 436 HA TYR 71 HA TYR 71 1.629 -16.186 -4.760 437 HB3 TYR 71 2HB TYR 71 -0.152 -13.734 -4.331 438 HD1 TYR 71 1HD TYR 71 2.597 -15.267 -3.200 439 HD2 TYR 71 2HD TYR 71 1.612 -11.656 -5.270 440 HE1 TYR 71 1HE TYR 71 4.711 -14.171 -2.309 441 HE2 TYR 71 2HE TYR 71 3.729 -10.571 -4.371 442 HH TYR 71 HH TYR 71 5.196 -11.087 -2.116 443 H HIS 72 H HIS 72 1.854 -17.014 -2.745 444 HA HIS 72 HA HIS 72 -0.452 -17.441 -1.155 445 HB3 HIS 72 2HB HIS 72 1.178 -18.413 0.452 446 HD1 HIS 72 1HD HIS 72 -0.591 -20.120 -0.872 447 HD2 HIS 72 2HD HIS 72 3.273 -19.681 -2.448 448 HE1 HIS 72 1HE HIS 72 -0.208 -22.130 -2.396 449 H ARG 73 H ARG 73 2.588 -15.507 -0.645 450 HA ARG 73 HA ARG 73 1.823 -14.352 1.685 451 HB3 ARG 73 2HB ARG 73 3.268 -12.328 0.390 452 HG3 ARG 73 2HG ARG 73 3.798 -13.540 2.564 453 HD3 ARG 73 2HD ARG 73 3.988 -15.787 0.831 454 HE ARG 73 HE ARG 73 6.287 -15.735 0.352 455 HH11 ARG 73 2HH2 ARG 73 5.765 -14.875 3.725 456 HH12 ARG 73 1HH2 ARG 73 7.447 -14.925 4.131 457 HH21 ARG 73 2HH1 ARG 73 8.508 -15.802 0.888 458 HH22 ARG 73 1HH1 ARG 73 9.019 -15.455 2.507 459 H THR 74 H THR 74 1.834 -11.548 1.454 460 HA THR 74 HA THR 74 -0.407 -10.909 -0.322 461 HB THR 74 HB THR 74 -1.513 -9.763 1.640 462 HG1 THR 74 1HG THR 74 0.566 -11.292 3.038 463 HG21 THR 74 3HG2 THR 74 -2.199 -12.125 1.165 464 HG22 THR 74 1HG2 THR 74 -0.840 -12.707 2.157 465 HG23 THR 74 2HG2 THR 74 -2.173 -11.805 2.917 466 H SER 75 H SER 75 2.556 -10.433 -0.346 467 HA SER 75 HA SER 75 2.304 -7.611 -0.772 468 HB3 SER 75 2HB SER 75 3.120 -7.251 1.367 469 HG SER 75 HG SER 75 4.151 -9.876 1.084 470 H ALA 76 H ALA 76 4.138 -6.764 -2.100 471 HA ALA 76 HA ALA 76 6.028 -8.699 -3.090 472 HB1 ALA 76 3HB ALA 76 4.582 -7.472 -5.335 473 HB2 ALA 76 1HB ALA 76 5.074 -9.164 -5.084 474 HB3 ALA 76 2HB ALA 76 3.560 -8.561 -4.366 475 H THR 77 H THR 77 7.663 -7.641 -4.503 476 HA THR 77 HA THR 77 7.724 -4.737 -4.001 477 HB THR 77 HB THR 77 10.022 -6.757 -4.184 478 HG1 THR 77 1HG THR 77 8.723 -5.236 -2.033 479 HG21 THR 77 3HG2 THR 77 10.394 -4.187 -4.733 480 HG22 THR 77 1HG2 THR 77 10.121 -3.966 -2.988 481 HG23 THR 77 2HG2 THR 77 11.468 -4.982 -3.556 482 H ILE 78 H ILE 78 7.113 -3.710 -5.811 483 HA ILE 78 HA ILE 78 7.661 -4.889 -8.369 484 HB ILE 78 HB ILE 78 6.520 -2.173 -7.713 485 HG13 ILE 78 2HG1 ILE 78 4.334 -3.135 -7.727 486 HG21 ILE 78 1HG2 ILE 78 6.345 -3.908 -10.192 487 HG22 ILE 78 2HG2 ILE 78 5.465 -2.382 -9.930 488 HG23 ILE 78 3HG2 ILE 78 7.243 -2.380 -10.018 489 HD11 ILE 78 3HD1 ILE 78 4.517 -5.869 -7.657 490 HD12 ILE 78 1HD1 ILE 78 4.111 -4.943 -9.123 491 HD13 ILE 78 2HD1 ILE 78 5.783 -5.487 -8.847 492 H THR 79 H THR 79 8.818 -3.668 -10.111 493 HA THR 79 HA THR 79 10.820 -1.798 -9.116 494 HB THR 79 HB THR 79 11.773 -4.119 -8.841 495 HG1 THR 79 1HG THR 79 13.297 -2.518 -9.387 496 HG21 THR 79 3HG2 THR 79 11.602 -5.679 -10.501 497 HG22 THR 79 1HG2 THR 79 10.553 -4.554 -11.398 498 HG23 THR 79 2HG2 THR 79 12.312 -4.542 -11.672 499 H GLU 80 H GLU 80 12.387 -2.044 -11.597 500 HA GLU 80 HA GLU 80 12.454 -0.837 -13.426 501 HB3 GLU 80 2HB GLU 80 10.584 -1.634 -15.143 502 HG3 GLU 80 2HG GLU 80 12.143 -3.982 -14.172 503 H LEU 81 H LEU 81 11.374 0.763 -11.471 504 HA LEU 81 HA LEU 81 9.059 2.023 -12.759 505 HB3 LEU 81 2HB LEU 81 8.911 3.181 -10.478 506 HG LEU 81 HG LEU 81 8.443 0.190 -10.604 507 HD11 LEU 81 1HD1 LEU 81 8.267 2.002 -8.386 508 HD12 LEU 81 2HD1 LEU 81 6.638 1.431 -8.819 509 HD13 LEU 81 3HD1 LEU 81 7.923 0.257 -8.451 510 HD21 LEU 81 3HD2 LEU 81 6.088 0.842 -11.044 511 HD22 LEU 81 1HD2 LEU 81 6.615 2.537 -11.177 512 HD23 LEU 81 2HD2 LEU 81 7.212 1.326 -12.336 513 H VAL 82 H VAL 82 9.132 4.192 -13.374 514 HA VAL 82 HA VAL 82 11.840 5.279 -13.479 515 HB VAL 82 HB VAL 82 10.659 4.982 -15.580 516 HG11 VAL 82 1HG1 VAL 82 8.484 5.399 -15.859 517 HG12 VAL 82 2HG1 VAL 82 8.394 5.806 -14.129 518 HG13 VAL 82 3HG1 VAL 82 8.684 7.087 -15.331 519 HG21 VAL 82 3HG2 VAL 82 11.968 6.730 -16.097 520 HG22 VAL 82 1HG2 VAL 82 10.491 7.715 -15.975 521 HG23 VAL 82 2HG2 VAL 82 11.586 7.578 -14.579 522 H ILE 83 H ILE 83 12.385 7.276 -12.582 523 HA ILE 83 HA ILE 83 10.563 8.182 -10.535 524 HB ILE 83 HB ILE 83 13.382 8.987 -11.255 525 HG13 ILE 83 2HG1 ILE 83 13.099 6.647 -10.458 526 HG21 ILE 83 1HG2 ILE 83 12.871 10.841 -10.091 527 HG22 ILE 83 2HG2 ILE 83 11.425 10.112 -9.352 528 HG23 ILE 83 3HG2 ILE 83 13.037 9.772 -8.678 529 HD11 ILE 83 3HD1 ILE 83 14.352 8.104 -8.151 530 HD12 ILE 83 1HD1 ILE 83 14.986 6.751 -9.119 531 HD13 ILE 83 2HD1 ILE 83 15.025 8.408 -9.771 532 H GLY 84 H GLY 84 8.869 9.371 -11.310 533 HA2 GLY 84 1HA GLY 84 8.726 11.886 -11.819 534 HA3 GLY 84 2HA GLY 84 9.459 11.420 -13.341 535 H ASN 85 H ASN 85 7.873 8.671 -12.805 536 HA ASN 85 HA ASN 85 5.412 9.718 -13.963 537 HB3 ASN 85 2HB ASN 85 5.259 7.258 -14.874 538 HD21 ASN 85 1HD2 ASN 85 7.283 6.752 -16.690 539 HD22 ASN 85 2HD2 ASN 85 7.454 8.082 -17.786 540 H GLU 86 H GLU 86 3.403 8.448 -13.372 541 HA GLU 86 HA GLU 86 3.729 7.290 -10.720 542 HB3 GLU 86 2HB GLU 86 1.410 7.916 -10.302 543 HG3 GLU 86 2HG GLU 86 3.468 9.801 -10.964 544 H TYR 87 H TYR 87 1.947 5.553 -10.201 545 HA TYR 87 HA TYR 87 1.099 4.034 -12.503 546 HB3 TYR 87 2HB TYR 87 2.347 1.999 -11.491 547 HD1 TYR 87 1HD TYR 87 2.841 2.141 -13.947 548 HD2 TYR 87 2HD TYR 87 5.001 4.445 -11.061 549 HE1 TYR 87 1HE TYR 87 4.685 2.555 -15.648 550 HE2 TYR 87 2HE TYR 87 6.837 4.852 -12.772 551 HH TYR 87 HH TYR 87 6.426 4.347 -16.010 552 H TYR 88 H TYR 88 -0.393 2.288 -11.918 553 HA TYR 88 HA TYR 88 -1.548 2.756 -9.255 554 HB3 TYR 88 2HB TYR 88 -3.523 1.573 -10.665 555 HD1 TYR 88 2HD TYR 88 -3.948 3.598 -8.948 556 HD2 TYR 88 1HD TYR 88 -2.976 4.041 -13.091 557 HE1 TYR 88 2HE TYR 88 -4.977 5.922 -8.948 558 HE2 TYR 88 1HE TYR 88 -4.008 6.364 -13.077 559 HH TYR 88 HH TYR 88 -4.363 8.162 -10.936 560 H PHE 89 H PHE 89 -2.904 0.732 -8.513 561 HA PHE 89 HA PHE 89 -1.825 -1.780 -9.364 562 HB3 PHE 89 2HB PHE 89 -0.784 -2.282 -7.177 563 HD1 PHE 89 2HD PHE 89 -0.414 1.365 -7.028 564 HD2 PHE 89 1HD PHE 89 1.214 -2.257 -8.524 565 HE1 PHE 89 2HE PHE 89 1.716 2.562 -7.607 566 HE2 PHE 89 1HE PHE 89 3.343 -1.060 -9.102 567 HZ PHE 89 HZ PHE 89 3.569 1.335 -8.637 568 H ARG 90 H ARG 90 -3.040 -3.587 -8.527 569 HA ARG 90 HA ARG 90 -5.082 -3.033 -6.629 570 HB3 ARG 90 2HB ARG 90 -6.313 -2.245 -8.553 571 HG3 ARG 90 2HG ARG 90 -4.917 -4.530 -9.914 572 HD3 ARG 90 2HD ARG 90 -7.736 -3.576 -10.587 573 HE ARG 90 HE ARG 90 -5.625 -4.458 -12.423 574 HH11 ARG 90 2HH2 ARG 90 -9.095 -4.327 -11.856 575 HH12 ARG 90 1HH2 ARG 90 -9.504 -4.479 -13.534 576 HH21 ARG 90 2HH1 ARG 90 -6.163 -4.659 -14.635 577 HH22 ARG 90 1HH1 ARG 90 -7.823 -4.669 -15.124 578 H VAL 91 H VAL 91 -5.559 -4.933 -5.494 579 HA VAL 91 HA VAL 91 -4.366 -7.375 -6.592 580 HB VAL 91 HB VAL 91 -5.032 -6.533 -3.765 581 HG11 VAL 91 1HG1 VAL 91 -5.098 -9.108 -4.658 582 HG12 VAL 91 2HG1 VAL 91 -3.385 -8.949 -4.203 583 HG13 VAL 91 3HG1 VAL 91 -4.658 -8.626 -3.002 584 HG21 VAL 91 3HG2 VAL 91 -3.027 -5.548 -3.851 585 HG22 VAL 91 1HG2 VAL 91 -2.319 -7.177 -3.971 586 HG23 VAL 91 2HG2 VAL 91 -2.674 -6.249 -5.449 587 H PHE 92 H PHE 92 -5.593 -9.248 -6.842 588 HA PHE 92 HA PHE 92 -8.473 -8.806 -6.592 589 HB3 PHE 92 2HB PHE 92 -8.509 -10.746 -8.234 590 HD1 PHE 92 2HD PHE 92 -5.358 -8.877 -8.846 591 HD2 PHE 92 1HD PHE 92 -9.467 -9.309 -9.815 592 HE1 PHE 92 2HE PHE 92 -5.082 -7.251 -10.738 593 HE2 PHE 92 1HE PHE 92 -9.191 -7.683 -11.707 594 HZ PHE 92 HZ PHE 92 -7.002 -6.673 -12.146 595 H SER 93 H SER 93 -9.388 -11.441 -6.630 596 HA SER 93 HA SER 93 -8.187 -12.542 -4.212 597 HB3 SER 93 2HB SER 93 -10.647 -13.293 -3.705 598 HG SER 93 HG SER 93 -9.942 -10.486 -3.545 599 H GLU 94 H GLU 94 -7.017 -14.112 -5.464 600 HA GLU 94 HA GLU 94 -8.284 -15.622 -7.449 601 HB3 GLU 94 2HB GLU 94 -6.069 -17.098 -6.438 602 HG3 GLU 94 2HG GLU 94 -4.910 -16.022 -8.446 603 H ASN 95 H ASN 95 -9.109 -17.775 -7.412 604 HA ASN 95 HA ASN 95 -9.049 -19.251 -5.004 605 HB3 ASN 95 2HB ASN 95 -10.897 -17.595 -4.511 606 HD21 ASN 95 1HD2 ASN 95 -11.046 -16.397 -6.589 607 HD22 ASN 95 2HD2 ASN 95 -12.448 -16.627 -7.579 608 H MET 96 H MET 96 -11.309 -20.946 -5.526 609 HA MET 96 HA MET 96 -10.336 -22.527 -7.551 610 HB3 MET 96 2HB MET 96 -12.524 -23.749 -7.269 611 HG3 MET 96 2HG MET 96 -11.644 -22.647 -4.564 612 HE1 MET 96 3HE MET 96 -13.045 -23.444 -2.748 613 HE2 MET 96 1HE MET 96 -13.237 -25.180 -2.402 614 HE3 MET 96 2HE MET 96 -11.609 -24.486 -2.596 615 H CYS 97 H CYS 97 -13.057 -20.143 -7.546 616 HA CYS 97 HA CYS 97 -13.958 -20.702 -10.110 617 HB3 CYS 97 2HB CYS 97 -14.966 -18.408 -10.001 618 HG CYS 97 HG CYS 97 -16.830 -18.950 -8.533 619 H GLY 98 H GLY 98 -12.348 -17.578 -9.231 620 HA2 GLY 98 1HA GLY 98 -10.111 -17.898 -10.931 621 HA3 GLY 98 2HA GLY 98 -11.383 -17.050 -11.788 622 H LEU 99 H LEU 99 -11.092 -14.869 -11.727 623 HA LEU 99 HA LEU 99 -9.872 -13.755 -9.311 624 HB3 LEU 99 2HB LEU 99 -9.583 -11.740 -10.859 625 HG LEU 99 HG LEU 99 -7.597 -12.547 -11.952 626 HD11 LEU 99 1HD1 LEU 99 -7.886 -13.917 -9.264 627 HD12 LEU 99 2HD1 LEU 99 -6.366 -13.452 -10.065 628 HD13 LEU 99 3HD1 LEU 99 -7.504 -12.197 -9.517 629 HD21 LEU 99 3HD2 LEU 99 -7.959 -15.386 -11.165 630 HD22 LEU 99 1HD2 LEU 99 -8.930 -14.805 -12.539 631 HD23 LEU 99 2HD2 LEU 99 -7.155 -14.673 -12.585 632 H SER 100 H SER 100 -10.723 -11.536 -8.652 633 HA SER 100 HA SER 100 -13.540 -11.807 -8.381 634 HB3 SER 100 2HB SER 100 -12.447 -11.044 -6.426 635 HG SER 100 HG SER 100 -11.054 -9.247 -8.200 636 H GLU 101 H GLU 101 -15.162 -10.521 -9.332 637 HA GLU 101 HA GLU 101 -14.793 -9.547 -11.801 638 HB3 GLU 101 2HB GLU 101 -16.817 -7.929 -10.521 639 HG3 GLU 101 2HG GLU 101 -18.088 -10.124 -11.673 640 H ASP 102 H ASP 102 -14.184 -7.903 -8.696 641 HA ASP 102 HA ASP 102 -13.008 -5.743 -10.238 642 HB3 ASP 102 2HB ASP 102 -14.846 -4.528 -9.524 643 H ALA 103 H ALA 103 -11.304 -4.557 -8.910 644 HA ALA 103 HA ALA 103 -10.383 -6.161 -6.627 645 HB1 ALA 103 3HB ALA 103 -9.108 -6.630 -8.755 646 HB2 ALA 103 1HB ALA 103 -8.617 -4.919 -8.771 647 HB3 ALA 103 2HB ALA 103 -8.111 -5.978 -7.433 648 H THR 104 H THR 104 -9.261 -4.957 -4.976 649 HA THR 104 HA THR 104 -10.213 -2.247 -4.792 650 HB THR 104 HB THR 104 -8.816 -4.274 -3.019 651 HG1 THR 104 1HG THR 104 -11.236 -3.868 -3.445 652 HG21 THR 104 3HG2 THR 104 -9.405 -2.042 -1.415 653 HG22 THR 104 1HG2 THR 104 -7.771 -2.595 -1.854 654 HG23 THR 104 2HG2 THR 104 -8.573 -1.334 -2.821 655 H MET 105 H MET 105 -9.244 -0.776 -6.086 656 HA MET 105 HA MET 105 -6.400 -0.961 -6.439 657 HB3 MET 105 2HB MET 105 -8.532 0.982 -7.488 658 HG3 MET 105 2HG MET 105 -6.021 0.750 -9.018 659 HE1 MET 105 3HE MET 105 -7.367 1.696 -10.788 660 HE2 MET 105 1HE MET 105 -7.533 3.458 -10.970 661 HE3 MET 105 2HE MET 105 -5.923 2.736 -10.741 662 H THR 106 H THR 106 -4.857 0.399 -5.528 663 HA THR 106 HA THR 106 -5.294 1.614 -3.133 664 HB THR 106 HB THR 106 -3.117 2.779 -3.646 665 HG1 THR 106 1HG THR 106 -3.902 3.131 -5.949 666 HG21 THR 106 3HG2 THR 106 -2.298 0.677 -3.193 667 HG22 THR 106 1HG2 THR 106 -3.605 -0.112 -4.109 668 HG23 THR 106 2HG2 THR 106 -2.168 0.503 -4.960 669 H LYS 107 H LYS 107 -6.463 3.272 -2.416 670 HA LYS 107 HA LYS 107 -8.086 4.817 -3.875 671 HB3 LYS 107 2HB LYS 107 -7.067 6.466 -1.771 672 HG3 LYS 107 2HG LYS 107 -9.269 5.193 -0.746 673 HD3 LYS 107 2HD LYS 107 -8.919 7.482 -2.680 674 HE3 LYS 107 2HE LYS 107 -11.662 7.040 -1.568 675 HZ1 LYS 107 3HZ LYS 107 -10.828 8.897 -3.019 676 HZ2 LYS 107 1HZ LYS 107 -10.831 7.835 -4.259 677 HZ3 LYS 107 2HZ LYS 107 -12.224 8.189 -3.484 678 H GLU 108 H GLU 108 -4.567 5.144 -3.563 679 HA GLU 108 HA GLU 108 -4.751 7.274 -5.534 680 HB3 GLU 108 2HB GLU 108 -2.674 8.286 -4.369 681 HG3 GLU 108 2HG GLU 108 -5.436 8.283 -3.079 682 H SER 109 H SER 109 -2.300 7.655 -6.416 683 HA SER 109 HA SER 109 -1.448 4.978 -7.132 684 HB3 SER 109 2HB SER 109 -1.858 6.214 -9.096 685 HG SER 109 HG SER 109 -0.784 8.402 -7.601 686 H ALA 110 H ALA 110 1.080 4.860 -7.599 687 HA ALA 110 HA ALA 110 2.371 5.925 -5.199 688 HB1 ALA 110 3HB ALA 110 3.923 4.104 -5.449 689 HB2 ALA 110 1HB ALA 110 2.289 3.435 -5.675 690 HB3 ALA 110 2HB ALA 110 3.329 3.743 -7.087 691 H VAL 111 H VAL 111 3.533 7.761 -5.453 692 HA VAL 111 HA VAL 111 4.406 8.484 -8.116 693 HB VAL 111 HB VAL 111 4.205 9.842 -5.448 694 HG11 VAL 111 1HG1 VAL 111 5.299 11.832 -6.360 695 HG12 VAL 111 2HG1 VAL 111 6.419 10.449 -6.345 696 HG13 VAL 111 3HG1 VAL 111 5.657 10.961 -7.870 697 HG21 VAL 111 3HG2 VAL 111 2.722 9.805 -7.943 698 HG22 VAL 111 1HG2 VAL 111 2.275 10.493 -6.363 699 HG23 VAL 111 2HG2 VAL 111 3.221 11.459 -7.520 700 H ILE 112 H ILE 112 6.270 7.604 -8.856 701 HA ILE 112 HA ILE 112 8.195 6.482 -7.156 702 HB ILE 112 HB ILE 112 8.497 7.360 -10.029 703 HG13 ILE 112 2HG1 ILE 112 7.823 4.995 -10.547 704 HG21 ILE 112 1HG2 ILE 112 10.447 6.471 -8.362 705 HG22 ILE 112 2HG2 ILE 112 9.848 4.933 -9.027 706 HG23 ILE 112 3HG2 ILE 112 10.428 6.210 -10.123 707 HD11 ILE 112 3HD1 ILE 112 7.995 4.608 -7.807 708 HD12 ILE 112 1HD1 ILE 112 6.244 4.821 -8.048 709 HD13 ILE 112 2HD1 ILE 112 7.116 3.546 -8.932 710 H ALA 113 H ALA 113 10.218 7.222 -6.435 711 HA ALA 113 HA ALA 113 11.243 9.741 -7.204 712 HB1 ALA 113 3HB ALA 113 9.160 9.855 -5.306 713 HB2 ALA 113 1HB ALA 113 10.662 10.034 -4.368 714 HB3 ALA 113 2HB ALA 113 10.316 11.146 -5.713 715 H ARG 114 H ARG 114 13.124 10.336 -5.573 716 HA ARG 114 HA ARG 114 14.268 7.783 -4.765 717 HB3 ARG 114 2HB ARG 114 15.754 8.493 -6.422 718 HG3 ARG 114 2HG ARG 114 14.939 11.297 -5.583 719 HD3 ARG 114 2HD ARG 114 17.374 10.409 -7.168 720 HE ARG 114 HE ARG 114 15.585 12.448 -8.039 721 HH11 ARG 114 2HH2 ARG 114 19.005 12.041 -7.317 722 HH12 ARG 114 1HH2 ARG 114 19.515 13.273 -8.422 723 HH21 ARG 114 2HH1 ARG 114 16.258 14.072 -9.498 724 HH22 ARG 114 1HH1 ARG 114 17.943 14.436 -9.672 725 H ASP 115 H ASP 115 13.874 7.699 -2.542 726 HA ASP 115 HA ASP 115 15.169 9.731 -0.992 727 HB3 ASP 115 2HB ASP 115 12.956 10.700 -1.091 728 H GLY 116 H GLY 116 15.938 8.810 0.991 729 HA2 GLY 116 1HA GLY 116 16.049 6.005 1.186 730 HA3 GLY 116 2HA GLY 116 16.549 7.167 2.398 731 H LYS 117 H LYS 117 15.286 4.675 3.034 732 HA LYS 117 HA LYS 117 12.682 5.635 3.999 733 HB3 LYS 117 2HB LYS 117 13.557 2.897 3.068 734 HG3 LYS 117 2HG LYS 117 10.845 3.458 4.280 735 HD3 LYS 117 2HD LYS 117 11.968 0.871 4.865 736 HE3 LYS 117 2HE LYS 117 9.868 1.667 2.791 737 HZ1 LYS 117 3HZ LYS 117 9.135 -0.597 3.950 738 HZ2 LYS 117 1HZ LYS 117 9.967 -0.532 2.547 739 HZ3 LYS 117 2HZ LYS 117 10.755 -0.798 3.953 740 H ILE 118 H ILE 118 12.232 5.450 6.192 741 HA ILE 118 HA ILE 118 12.765 5.467 8.342 742 HB ILE 118 HB ILE 118 13.760 2.782 7.437 743 HG13 ILE 118 2HG1 ILE 118 11.745 1.958 8.431 744 HG21 ILE 118 1HG2 ILE 118 13.576 3.683 10.323 745 HG22 ILE 118 2HG2 ILE 118 14.069 2.085 9.714 746 HG23 ILE 118 3HG2 ILE 118 15.095 3.507 9.411 747 HD11 ILE 118 3HD1 ILE 118 10.230 4.204 9.139 748 HD12 ILE 118 1HD1 ILE 118 10.957 3.038 10.270 749 HD13 ILE 118 2HD1 ILE 118 11.827 4.534 9.853 750 H TYR 119 H TYR 119 14.102 7.228 8.656 751 HA TYR 119 HA TYR 119 16.981 6.636 8.508 752 HB3 TYR 119 2HB TYR 119 16.928 8.452 7.051 753 HD1 TYR 119 1HD TYR 119 14.763 7.131 6.061 754 HD2 TYR 119 2HD TYR 119 14.664 10.795 8.268 755 HE1 TYR 119 1HE TYR 119 12.511 7.701 5.028 756 HE2 TYR 119 2HE TYR 119 12.413 11.353 7.227 757 HH TYR 119 HH TYR 119 10.529 9.104 5.697 758 H LYS 120 H LYS 120 14.416 6.981 10.593 759 HA LYS 120 HA LYS 120 15.954 8.541 12.533 760 HB3 LYS 120 2HB LYS 120 13.628 9.252 12.010 761 HG3 LYS 120 2HG LYS 120 13.035 6.531 12.103 762 HD3 LYS 120 2HD LYS 120 11.481 7.670 14.411 763 HE3 LYS 120 2HE LYS 120 12.039 5.093 15.039 764 HZ1 LYS 120 3HZ LYS 120 9.853 5.645 14.774 765 HZ2 LYS 120 1HZ LYS 120 10.033 6.231 13.261 766 HZ3 LYS 120 2HZ LYS 120 10.053 4.619 13.521 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -47.402 -27.096 -5.872 2 HA2 GLY 1 1HA GLY 1 -44.958 -26.658 -6.443 3 HA3 GLY 1 2HA GLY 1 -45.673 -25.674 -5.182 4 H SER 2 H SER 2 -44.237 -29.010 -5.477 5 HA SER 2 HA SER 2 -42.793 -30.082 -4.265 6 HB3 SER 2 2HB SER 2 -41.534 -27.821 -2.846 7 HG SER 2 HG SER 2 -39.708 -28.767 -3.620 8 H SER 3 H SER 3 -44.391 -31.034 -2.872 9 HA SER 3 HA SER 3 -45.444 -29.707 -0.678 10 HB3 SER 3 2HB SER 3 -46.414 -31.756 -1.730 11 HG SER 3 HG SER 3 -44.588 -33.085 -2.013 12 H GLY 4 H GLY 4 -44.094 -28.817 0.871 13 HA2 GLY 4 1HA GLY 4 -42.693 -28.778 2.636 14 HA3 GLY 4 2HA GLY 4 -42.673 -30.530 2.630 15 H SER 5 H SER 5 -40.972 -31.671 1.630 16 HA SER 5 HA SER 5 -38.936 -31.992 0.945 17 HB3 SER 5 2HB SER 5 -39.451 -29.592 -0.870 18 HG SER 5 HG SER 5 -37.643 -30.137 -1.881 19 H SER 6 H SER 6 -38.000 -31.413 3.031 20 HA SER 6 HA SER 6 -36.990 -28.703 3.183 21 HB3 SER 6 2HB SER 6 -36.414 -30.522 5.443 22 HG SER 6 HG SER 6 -36.317 -28.419 6.030 23 H GLY 7 H GLY 7 -34.897 -28.291 2.576 24 HA2 GLY 7 1HA GLY 7 -32.582 -29.169 3.250 25 HA3 GLY 7 2HA GLY 7 -33.067 -30.587 2.340 26 H ALA 8 H ALA 8 -33.058 -30.563 0.067 27 HA ALA 8 HA ALA 8 -32.680 -29.828 -1.990 28 HB1 ALA 8 3HB ALA 8 -32.535 -27.000 -1.814 29 HB2 ALA 8 1HB ALA 8 -33.916 -27.987 -2.354 30 HB3 ALA 8 2HB ALA 8 -33.777 -27.510 -0.644 31 H SER 9 H SER 9 -31.129 -27.042 -0.293 32 HA SER 9 HA SER 9 -28.656 -27.839 -1.535 33 HB3 SER 9 2HB SER 9 -28.154 -25.511 -0.077 34 HG SER 9 HG SER 9 -27.540 -25.359 -2.160 35 H ILE 10 H ILE 10 -29.825 -26.806 1.759 36 HA ILE 10 HA ILE 10 -29.238 -27.448 3.790 37 HB ILE 10 HB ILE 10 -27.836 -29.765 2.453 38 HG13 ILE 10 2HG1 ILE 10 -30.394 -29.306 2.039 39 HG21 ILE 10 1HG2 ILE 10 -27.520 -29.006 5.020 40 HG22 ILE 10 2HG2 ILE 10 -28.982 -30.008 5.176 41 HG23 ILE 10 3HG2 ILE 10 -27.498 -30.702 4.479 42 HD11 ILE 10 3HD1 ILE 10 -28.747 -31.624 2.173 43 HD12 ILE 10 1HD1 ILE 10 -30.275 -32.050 2.981 44 HD13 ILE 10 2HD1 ILE 10 -30.292 -31.444 1.308 45 H ASP 11 H ASP 11 -27.959 -25.902 4.663 46 HA ASP 11 HA ASP 11 -26.168 -24.868 5.319 47 HB3 ASP 11 2HB ASP 11 -24.133 -26.659 4.093 48 H ILE 12 H ILE 12 -24.548 -23.337 4.440 49 HA ILE 12 HA ILE 12 -24.932 -22.860 1.638 50 HB ILE 12 HB ILE 12 -23.405 -21.414 3.801 51 HG13 ILE 12 2HG1 ILE 12 -25.894 -21.447 3.976 52 HG21 ILE 12 1HG2 ILE 12 -23.990 -20.260 1.085 53 HG22 ILE 12 2HG2 ILE 12 -22.828 -19.719 2.320 54 HG23 ILE 12 3HG2 ILE 12 -22.508 -21.200 1.385 55 HD11 ILE 12 3HD1 ILE 12 -26.132 -19.059 4.303 56 HD12 ILE 12 1HD1 ILE 12 -24.454 -19.482 4.722 57 HD13 ILE 12 2HD1 ILE 12 -24.814 -18.716 3.156 58 H GLN 13 H GLN 13 -23.976 -24.756 0.686 59 HA GLN 13 HA GLN 13 -21.129 -25.012 1.140 60 HB3 GLN 13 2HB GLN 13 -21.635 -27.057 -0.526 61 HG3 GLN 13 2HG GLN 13 -22.495 -26.956 2.405 62 HE21 GLN 13 1HE2 GLN 13 -22.577 -28.934 3.456 63 HE22 GLN 13 2HE2 GLN 13 -22.820 -30.435 2.628 64 H ILE 14 H ILE 14 -19.748 -25.466 -0.901 65 HA ILE 14 HA ILE 14 -18.813 -24.353 -2.614 66 HB ILE 14 HB ILE 14 -21.394 -25.468 -3.683 67 HG13 ILE 14 2HG1 ILE 14 -19.501 -26.915 -2.699 68 HG21 ILE 14 1HG2 ILE 14 -19.725 -25.262 -5.863 69 HG22 ILE 14 2HG2 ILE 14 -21.119 -24.213 -5.510 70 HG23 ILE 14 3HG2 ILE 14 -19.481 -23.707 -5.031 71 HD11 ILE 14 3HD1 ILE 14 -21.391 -27.414 -4.594 72 HD12 ILE 14 1HD1 ILE 14 -19.919 -27.701 -5.554 73 HD13 ILE 14 2HD1 ILE 14 -20.205 -28.632 -4.064 74 H ILE 15 H ILE 15 -18.658 -22.196 -1.891 75 HA ILE 15 HA ILE 15 -20.923 -20.467 -2.482 76 HB ILE 15 HB ILE 15 -18.321 -19.957 -1.035 77 HG13 ILE 15 2HG1 ILE 15 -19.703 -21.499 0.205 78 HG21 ILE 15 1HG2 ILE 15 -20.262 -18.025 -0.364 79 HG22 ILE 15 2HG2 ILE 15 -18.742 -17.792 -1.260 80 HG23 ILE 15 3HG2 ILE 15 -20.252 -18.134 -2.141 81 HD11 ILE 15 3HD1 ILE 15 -18.854 -19.024 1.158 82 HD12 ILE 15 1HD1 ILE 15 -20.562 -19.076 1.655 83 HD13 ILE 15 2HD1 ILE 15 -19.447 -20.367 2.163 84 H ASP 16 H ASP 16 -20.966 -18.986 -4.136 85 HA ASP 16 HA ASP 16 -19.542 -19.392 -6.361 86 HB3 ASP 16 2HB ASP 16 -20.158 -16.524 -5.723 87 H ARG 17 H ARG 17 -18.021 -17.512 -7.409 88 HA ARG 17 HA ARG 17 -15.606 -17.667 -6.317 89 HB3 ARG 17 2HB ARG 17 -15.011 -15.625 -7.653 90 HG3 ARG 17 2HG ARG 17 -16.511 -17.938 -8.651 91 HD3 ARG 17 2HD ARG 17 -17.182 -15.300 -9.778 92 HE ARG 17 HE ARG 17 -15.776 -15.626 -11.646 93 HH11 ARG 17 2HH2 ARG 17 -17.492 -18.602 -10.884 94 HH12 ARG 17 1HH2 ARG 17 -17.034 -19.394 -12.355 95 HH21 ARG 17 2HH1 ARG 17 -15.171 -16.670 -13.587 96 HH22 ARG 17 1HH1 ARG 17 -15.705 -18.288 -13.903 97 HA PRO 18 HA PRO 18 -15.449 -14.926 -2.928 98 HB3 PRO 18 2HB PRO 18 -13.389 -15.709 -2.265 99 HG3 PRO 18 2HG PRO 18 -12.135 -16.669 -3.945 100 HD3 PRO 18 2HD PRO 18 -13.807 -17.285 -5.399 101 H GLY 19 H GLY 19 -13.950 -12.659 -2.356 102 HA2 GLY 19 1HA GLY 19 -15.000 -10.817 -4.422 103 HA3 GLY 19 2HA GLY 19 -15.128 -10.512 -2.701 104 HA PRO 20 HA PRO 20 -11.212 -8.677 -4.143 105 HB3 PRO 20 2HB PRO 20 -11.987 -6.718 -5.071 106 HG3 PRO 20 2HG PRO 20 -14.223 -6.293 -4.696 107 HD3 PRO 20 2HD PRO 20 -14.989 -8.431 -4.337 108 HA PRO 21 HA PRO 21 -9.338 -8.448 -0.339 109 HB3 PRO 21 2HB PRO 21 -7.211 -8.247 -1.199 110 HG3 PRO 21 2HG PRO 21 -7.107 -7.304 -3.301 111 HD3 PRO 21 2HD PRO 21 -9.220 -7.787 -4.070 112 H GLN 22 H GLN 22 -9.595 -7.699 1.716 113 HA GLN 22 HA GLN 22 -11.490 -5.948 2.240 114 HB3 GLN 22 2HB GLN 22 -9.883 -5.368 4.348 115 HG3 GLN 22 2HG GLN 22 -10.994 -8.165 3.828 116 HE21 GLN 22 1HE2 GLN 22 -10.590 -5.465 6.121 117 HE22 GLN 22 2HE2 GLN 22 -10.274 -6.420 7.531 118 H ILE 23 H ILE 23 -7.991 -5.066 1.835 119 HA ILE 23 HA ILE 23 -8.757 -2.533 0.746 120 HB ILE 23 HB ILE 23 -8.842 -2.382 3.339 121 HG13 ILE 23 2HG1 ILE 23 -8.682 -0.131 3.103 122 HG21 ILE 23 1HG2 ILE 23 -6.825 -3.367 4.013 123 HG22 ILE 23 2HG2 ILE 23 -5.875 -2.472 2.802 124 HG23 ILE 23 3HG2 ILE 23 -6.558 -1.617 4.205 125 HD11 ILE 23 3HD1 ILE 23 -6.816 0.765 1.380 126 HD12 ILE 23 1HD1 ILE 23 -6.431 0.425 3.085 127 HD13 ILE 23 2HD1 ILE 23 -6.037 -0.772 1.827 128 H VAL 24 H VAL 24 -6.784 -1.316 -0.015 129 HA VAL 24 HA VAL 24 -4.440 -3.048 -0.221 130 HB VAL 24 HB VAL 24 -5.748 -1.687 -2.580 131 HG11 VAL 24 1HG1 VAL 24 -3.369 -3.551 -2.326 132 HG12 VAL 24 2HG1 VAL 24 -4.150 -3.139 -3.871 133 HG13 VAL 24 3HG1 VAL 24 -3.377 -1.866 -2.898 134 HG21 VAL 24 3HG2 VAL 24 -6.187 -4.350 -1.373 135 HG22 VAL 24 1HG2 VAL 24 -7.223 -3.392 -2.459 136 HG23 VAL 24 2HG2 VAL 24 -5.885 -4.357 -3.127 137 H LYS 25 H LYS 25 -2.718 -1.910 0.485 138 HA LYS 25 HA LYS 25 -2.724 0.971 -0.079 139 HB3 LYS 25 2HB LYS 25 -1.353 0.941 2.216 140 HG3 LYS 25 2HG LYS 25 -4.302 0.785 2.649 141 HD3 LYS 25 2HD LYS 25 -3.476 3.383 3.083 142 HE3 LYS 25 2HE LYS 25 -4.026 1.009 4.672 143 HZ1 LYS 25 3HZ LYS 25 -2.693 2.422 6.530 144 HZ2 LYS 25 1HZ LYS 25 -2.199 1.001 5.895 145 HZ3 LYS 25 2HZ LYS 25 -1.634 2.407 5.288 146 H ILE 26 H ILE 26 -0.356 1.853 0.238 147 HA ILE 26 HA ILE 26 1.427 -0.126 -1.003 148 HB ILE 26 HB ILE 26 1.201 2.851 -1.444 149 HG13 ILE 26 2HG1 ILE 26 -0.157 0.717 -2.634 150 HG21 ILE 26 1HG2 ILE 26 3.176 2.903 -2.570 151 HG22 ILE 26 2HG2 ILE 26 3.575 1.644 -1.377 152 HG23 ILE 26 3HG2 ILE 26 3.095 1.184 -3.028 153 HD11 ILE 26 3HD1 ILE 26 -0.975 3.006 -2.635 154 HD12 ILE 26 1HD1 ILE 26 0.435 3.559 -3.570 155 HD13 ILE 26 2HD1 ILE 26 -0.777 2.499 -4.330 156 H GLU 27 H GLU 27 2.849 -0.864 0.482 157 HA GLU 27 HA GLU 27 3.323 0.198 2.900 158 HB3 GLU 27 2HB GLU 27 5.797 -0.945 1.906 159 HG3 GLU 27 2HG GLU 27 4.503 -2.952 3.269 160 H ASP 28 H ASP 28 4.989 0.980 -0.199 161 HA ASP 28 HA ASP 28 5.459 3.564 0.401 162 HB3 ASP 28 2HB ASP 28 8.201 2.648 0.639 163 H VAL 29 H VAL 29 7.675 4.302 -0.981 164 HA VAL 29 HA VAL 29 8.118 2.472 -3.186 165 HB VAL 29 HB VAL 29 6.199 3.534 -4.021 166 HG11 VAL 29 1HG1 VAL 29 6.255 5.380 -2.257 167 HG12 VAL 29 2HG1 VAL 29 7.308 6.276 -3.377 168 HG13 VAL 29 3HG1 VAL 29 5.656 5.834 -3.870 169 HG21 VAL 29 3HG2 VAL 29 7.082 5.005 -5.864 170 HG22 VAL 29 1HG2 VAL 29 8.677 4.927 -5.078 171 HG23 VAL 29 2HG2 VAL 29 7.915 3.441 -5.692 172 H TRP 30 H TRP 30 10.264 2.472 -3.603 173 HA TRP 30 HA TRP 30 11.713 4.980 -3.152 174 HB3 TRP 30 2HB TRP 30 12.086 3.686 -1.167 175 HD1 TRP 30 HD TRP 30 14.543 1.400 -2.937 176 HE1 TRP 30 1HE TRP 30 13.974 -1.150 -2.564 177 HE3 TRP 30 3HE TRP 30 9.971 2.183 -0.854 178 HZ2 TRP 30 2HZ TRP 30 11.727 -2.522 -1.463 179 HZ3 TRP 30 3HZ TRP 30 8.655 0.185 -0.157 180 HH2 TRP 30 HH TRP 30 9.463 -2.105 -0.433 181 H GLY 31 H GLY 31 13.776 5.031 -4.425 182 HA2 GLY 31 1HA GLY 31 14.655 4.959 -6.518 183 HA3 GLY 31 2HA GLY 31 14.808 3.256 -6.134 184 H GLU 32 H GLU 32 14.043 1.936 -7.720 185 HA GLU 32 HA GLU 32 11.748 2.937 -9.218 186 HB3 GLU 32 2HB GLU 32 12.578 1.437 -11.076 187 HG3 GLU 32 2HG GLU 32 14.752 3.364 -10.154 188 H ASN 33 H ASN 33 11.264 1.708 -6.755 189 HA ASN 33 HA ASN 33 10.037 -0.741 -7.689 190 HB3 ASN 33 2HB ASN 33 11.839 -1.744 -6.528 191 HD21 ASN 33 1HD2 ASN 33 13.751 -0.935 -6.115 192 HD22 ASN 33 2HD2 ASN 33 14.162 0.193 -4.867 193 H VAL 34 H VAL 34 8.028 -1.211 -6.512 194 HA VAL 34 HA VAL 34 7.219 0.928 -4.667 195 HB VAL 34 HB VAL 34 5.983 -0.106 -7.140 196 HG11 VAL 34 1HG1 VAL 34 4.416 0.228 -4.582 197 HG12 VAL 34 2HG1 VAL 34 3.670 0.527 -6.171 198 HG13 VAL 34 3HG1 VAL 34 4.336 -1.079 -5.789 199 HG21 VAL 34 3HG2 VAL 34 6.827 2.209 -6.868 200 HG22 VAL 34 1HG2 VAL 34 5.091 2.152 -7.261 201 HG23 VAL 34 2HG2 VAL 34 5.616 2.480 -5.592 202 H ALA 35 H ALA 35 6.157 0.287 -2.790 203 HA ALA 35 HA ALA 35 6.102 -2.617 -2.386 204 HB1 ALA 35 3HB ALA 35 6.467 -0.231 -0.553 205 HB2 ALA 35 1HB ALA 35 6.042 -1.841 0.079 206 HB3 ALA 35 2HB ALA 35 7.562 -1.609 -0.818 207 H LEU 36 H LEU 36 4.134 -3.565 -2.496 208 HA LEU 36 HA LEU 36 1.810 -1.851 -2.006 209 HB3 LEU 36 2HB LEU 36 0.675 -3.916 -3.133 210 HG LEU 36 HG LEU 36 2.261 -1.780 -4.525 211 HD11 LEU 36 1HD1 LEU 36 2.212 -4.114 -5.770 212 HD12 LEU 36 2HD1 LEU 36 0.561 -3.595 -6.183 213 HD13 LEU 36 3HD1 LEU 36 1.953 -2.584 -6.641 214 HD21 LEU 36 3HD2 LEU 36 0.352 -0.701 -4.158 215 HD22 LEU 36 1HD2 LEU 36 -0.396 -1.769 -5.369 216 HD23 LEU 36 2HD2 LEU 36 -0.475 -2.189 -3.642 217 H THR 37 H THR 37 0.042 -2.682 -0.694 218 HA THR 37 HA THR 37 0.601 -5.029 0.910 219 HB THR 37 HB THR 37 0.141 -3.424 2.990 220 HG1 THR 37 1HG THR 37 1.170 -1.814 0.767 221 HG21 THR 37 3HG2 THR 37 2.498 -4.481 1.884 222 HG22 THR 37 1HG2 THR 37 2.842 -2.738 2.003 223 HG23 THR 37 2HG2 THR 37 2.375 -3.655 3.456 224 H TRP 38 H TRP 38 -1.213 -6.162 0.611 225 HA TRP 38 HA TRP 38 -3.732 -4.652 0.806 226 HB3 TRP 38 2HB TRP 38 -3.405 -5.455 -1.444 227 HD1 TRP 38 HD TRP 38 -4.442 -8.963 -0.369 228 HE1 TRP 38 1HE TRP 38 -2.740 -10.794 -1.217 229 HE3 TRP 38 3HE TRP 38 -0.887 -5.685 -1.940 230 HZ2 TRP 38 2HZ TRP 38 -0.157 -10.668 -2.421 231 HZ3 TRP 38 3HZ TRP 38 1.195 -6.622 -2.941 232 HH2 TRP 38 HH TRP 38 1.590 -9.021 -3.192 233 H THR 39 H THR 39 -5.421 -5.668 2.056 234 HA THR 39 HA THR 39 -4.353 -7.503 4.055 235 HB THR 39 HB THR 39 -6.473 -6.830 5.251 236 HG1 THR 39 1HG THR 39 -7.311 -6.428 2.836 237 HG21 THR 39 3HG2 THR 39 -4.429 -5.321 5.418 238 HG22 THR 39 1HG2 THR 39 -5.054 -4.410 4.023 239 HG23 THR 39 2HG2 THR 39 -5.971 -4.441 5.548 240 HA PRO 40 HA PRO 40 -6.498 -10.936 2.639 241 HB3 PRO 40 2HB PRO 40 -5.531 -12.308 4.215 242 HG3 PRO 40 2HG PRO 40 -4.809 -11.227 6.121 243 HD3 PRO 40 2HD PRO 40 -4.512 -9.102 5.297 244 HA PRO 41 HA PRO 41 -10.697 -10.343 2.555 245 HB3 PRO 41 2HB PRO 41 -10.939 -11.494 0.576 246 HG3 PRO 41 2HG PRO 41 -9.255 -13.006 0.129 247 HD3 PRO 41 2HD PRO 41 -7.551 -12.099 1.379 248 H LYS 42 H LYS 42 -12.746 -10.663 3.561 249 HA LYS 42 HA LYS 42 -12.329 -12.045 6.090 250 HB3 LYS 42 2HB LYS 42 -14.795 -10.815 6.220 251 HG3 LYS 42 2HG LYS 42 -13.020 -8.849 7.058 252 HD3 LYS 42 2HD LYS 42 -13.051 -10.152 9.274 253 HE3 LYS 42 2HE LYS 42 -15.754 -9.901 7.874 254 HZ1 LYS 42 3HZ LYS 42 -16.464 -10.359 9.891 255 HZ2 LYS 42 1HZ LYS 42 -14.950 -10.449 10.496 256 HZ3 LYS 42 2HZ LYS 42 -15.734 -9.017 10.469 257 H ASP 43 H ASP 43 -14.084 -12.248 3.024 258 HA ASP 43 HA ASP 43 -15.549 -14.511 4.122 259 HB3 ASP 43 2HB ASP 43 -17.282 -13.436 3.105 260 H ASP 44 H ASP 44 -13.538 -15.859 3.864 261 HA ASP 44 HA ASP 44 -11.954 -16.117 1.780 262 HB3 ASP 44 2HB ASP 44 -11.440 -17.678 3.401 263 H GLY 45 H GLY 45 -15.302 -17.452 2.105 264 HA2 GLY 45 1HA GLY 45 -16.753 -17.523 0.233 265 HA3 GLY 45 2HA GLY 45 -15.381 -17.814 -0.820 266 H ASN 46 H ASN 46 -14.437 -19.928 -0.971 267 HA ASN 46 HA ASN 46 -15.154 -22.006 0.711 268 HB3 ASN 46 2HB ASN 46 -16.561 -22.153 -2.001 269 HD21 ASN 46 1HD2 ASN 46 -18.740 -23.178 -0.068 270 HD22 ASN 46 2HD2 ASN 46 -18.344 -24.845 0.185 271 H ALA 47 H ALA 47 -12.820 -20.855 -0.590 272 HA ALA 47 HA ALA 47 -11.964 -23.181 -2.140 273 HB1 ALA 47 3HB ALA 47 -12.497 -20.587 -3.223 274 HB2 ALA 47 1HB ALA 47 -10.732 -20.819 -3.216 275 HB3 ALA 47 2HB ALA 47 -11.782 -21.998 -4.038 276 H ALA 48 H ALA 48 -11.706 -21.717 0.668 277 HA ALA 48 HA ALA 48 -10.123 -21.356 2.175 278 HB1 ALA 48 3HB ALA 48 -8.258 -22.933 2.188 279 HB2 ALA 48 1HB ALA 48 -9.737 -23.767 1.652 280 HB3 ALA 48 2HB ALA 48 -8.507 -23.284 0.461 281 H ILE 49 H ILE 49 -10.202 -19.766 -0.483 282 HA ILE 49 HA ILE 49 -9.026 -18.208 -1.530 283 HB ILE 49 HB ILE 49 -7.831 -17.951 1.230 284 HG13 ILE 49 2HG1 ILE 49 -9.530 -16.368 1.683 285 HG21 ILE 49 1HG2 ILE 49 -6.585 -16.226 0.573 286 HG22 ILE 49 2HG2 ILE 49 -6.878 -16.767 -1.097 287 HG23 ILE 49 3HG2 ILE 49 -7.920 -15.521 -0.370 288 HD11 ILE 49 3HD1 ILE 49 -9.859 -15.056 -0.234 289 HD12 ILE 49 1HD1 ILE 49 -9.969 -16.472 -1.307 290 HD13 ILE 49 2HD1 ILE 49 -11.331 -16.057 -0.237 291 H THR 50 H THR 50 -8.031 -19.705 -3.013 292 HA THR 50 HA THR 50 -5.749 -21.159 -2.560 293 HB THR 50 HB THR 50 -6.860 -19.737 -5.028 294 HG1 THR 50 1HG THR 50 -7.923 -21.585 -3.751 295 HG21 THR 50 3HG2 THR 50 -4.531 -20.215 -5.582 296 HG22 THR 50 1HG2 THR 50 -4.606 -21.789 -4.753 297 HG23 THR 50 2HG2 THR 50 -5.511 -21.534 -6.265 298 H GLY 51 H GLY 51 -5.840 -17.842 -4.039 299 HA2 GLY 51 1HA GLY 51 -3.565 -17.022 -2.498 300 HA3 GLY 51 2HA GLY 51 -3.146 -17.388 -4.160 301 H TYR 52 H TYR 52 -2.625 -15.094 -4.461 302 HA TYR 52 HA TYR 52 -5.042 -13.560 -5.065 303 HB3 TYR 52 2HB TYR 52 -3.860 -11.586 -3.999 304 HD1 TYR 52 2HD TYR 52 -6.072 -11.977 -2.839 305 HD2 TYR 52 1HD TYR 52 -2.477 -13.963 -1.643 306 HE1 TYR 52 2HE TYR 52 -7.122 -12.539 -0.594 307 HE2 TYR 52 1HE TYR 52 -3.539 -14.520 0.600 308 HH TYR 52 HH TYR 52 -5.681 -13.160 1.963 309 H THR 53 H THR 53 -4.764 -11.979 -6.749 310 HA THR 53 HA THR 53 -2.308 -12.432 -8.311 311 HB THR 53 HB THR 53 -5.162 -11.719 -9.171 312 HG1 THR 53 1HG THR 53 -3.371 -14.039 -9.247 313 HG21 THR 53 3HG2 THR 53 -2.871 -12.652 -10.948 314 HG22 THR 53 1HG2 THR 53 -4.409 -11.895 -11.431 315 HG23 THR 53 2HG2 THR 53 -3.140 -10.916 -10.656 316 H ILE 54 H ILE 54 -1.131 -10.715 -9.104 317 HA ILE 54 HA ILE 54 -2.014 -8.101 -8.094 318 HB ILE 54 HB ILE 54 0.717 -9.352 -8.250 319 HG13 ILE 54 2HG1 ILE 54 -1.211 -8.737 -6.142 320 HG21 ILE 54 1HG2 ILE 54 0.071 -6.420 -7.834 321 HG22 ILE 54 2HG2 ILE 54 1.668 -7.178 -7.628 322 HG23 ILE 54 3HG2 ILE 54 0.906 -7.131 -9.236 323 HD11 ILE 54 3HD1 ILE 54 -0.450 -10.903 -5.957 324 HD12 ILE 54 1HD1 ILE 54 1.124 -10.521 -6.696 325 HD13 ILE 54 2HD1 ILE 54 0.824 -10.126 -4.986 326 H GLN 55 H GLN 55 -1.679 -6.263 -9.459 327 HA GLN 55 HA GLN 55 -0.711 -6.816 -12.109 328 HB3 GLN 55 2HB GLN 55 -2.754 -5.886 -13.198 329 HG3 GLN 55 2HG GLN 55 -3.612 -8.153 -11.364 330 HE21 GLN 55 1HE2 GLN 55 -3.658 -9.779 -13.817 331 HE22 GLN 55 2HE2 GLN 55 -5.046 -9.282 -14.725 332 H LYS 56 H LYS 56 0.354 -5.035 -12.955 333 HA LYS 56 HA LYS 56 0.058 -2.555 -11.411 334 HB3 LYS 56 2HB LYS 56 2.272 -3.840 -11.339 335 HG3 LYS 56 2HG LYS 56 2.820 -2.469 -13.978 336 HD3 LYS 56 2HD LYS 56 3.987 -4.942 -12.614 337 HE3 LYS 56 2HE LYS 56 4.509 -3.515 -15.215 338 HZ1 LYS 56 3HZ LYS 56 6.677 -3.492 -14.933 339 HZ2 LYS 56 1HZ LYS 56 6.485 -3.815 -13.343 340 HZ3 LYS 56 2HZ LYS 56 6.716 -5.036 -14.403 341 H ALA 57 H ALA 57 0.198 -0.520 -12.621 342 HA ALA 57 HA ALA 57 -0.130 -0.731 -15.489 343 HB1 ALA 57 3HB ALA 57 -2.319 0.157 -13.587 344 HB2 ALA 57 1HB ALA 57 -2.268 0.685 -15.286 345 HB3 ALA 57 2HB ALA 57 -2.410 -1.046 -14.895 346 H ASP 58 H ASP 58 -0.341 1.596 -16.425 347 HA ASP 58 HA ASP 58 1.181 3.372 -14.683 348 HB3 ASP 58 2HB ASP 58 1.459 3.748 -17.622 349 H LYS 59 H LYS 59 1.051 5.765 -15.862 350 HA LYS 59 HA LYS 59 -1.797 6.253 -16.139 351 HB3 LYS 59 2HB LYS 59 -0.589 8.708 -16.183 352 HG3 LYS 59 2HG LYS 59 -0.878 8.435 -13.547 353 HD3 LYS 59 2HD LYS 59 -3.538 8.055 -14.287 354 HE3 LYS 59 2HE LYS 59 -1.901 10.619 -14.586 355 HZ1 LYS 59 3HZ LYS 59 -3.869 11.462 -15.033 356 HZ2 LYS 59 1HZ LYS 59 -4.630 10.032 -14.827 357 HZ3 LYS 59 2HZ LYS 59 -4.400 11.024 -13.551 358 H LYS 60 H LYS 60 0.068 4.954 -18.240 359 HA LYS 60 HA LYS 60 0.134 6.934 -20.319 360 HB3 LYS 60 2HB LYS 60 1.034 5.081 -21.680 361 HG3 LYS 60 2HG LYS 60 3.110 4.820 -20.465 362 HD3 LYS 60 2HD LYS 60 2.051 7.381 -19.249 363 HE3 LYS 60 2HE LYS 60 4.638 6.267 -20.199 364 HZ1 LYS 60 3HZ LYS 60 5.165 8.793 -20.569 365 HZ2 LYS 60 1HZ LYS 60 4.735 7.817 -21.806 366 HZ3 LYS 60 2HZ LYS 60 3.629 8.809 -21.126 367 H SER 61 H SER 61 -1.678 3.860 -19.656 368 HA SER 61 HA SER 61 -3.953 5.023 -20.927 369 HB3 SER 61 2HB SER 61 -4.019 2.646 -22.283 370 HG SER 61 HG SER 61 -2.867 5.177 -23.063 371 H MET 62 H MET 62 -2.982 3.935 -18.267 372 HA MET 62 HA MET 62 -3.627 2.637 -16.639 373 HB3 MET 62 2HB MET 62 -6.150 2.201 -16.540 374 HG3 MET 62 2HG MET 62 -6.822 4.593 -16.616 375 HE1 MET 62 3HE MET 62 -5.692 3.706 -13.161 376 HE2 MET 62 1HE MET 62 -6.854 3.431 -14.481 377 HE3 MET 62 2HE MET 62 -5.431 2.375 -14.313 378 H GLU 63 H GLU 63 -2.365 1.229 -18.811 379 HA GLU 63 HA GLU 63 -3.892 -1.090 -19.366 380 HB3 GLU 63 2HB GLU 63 -1.816 -1.894 -20.459 381 HG3 GLU 63 2HG GLU 63 -2.048 1.084 -21.025 382 H TRP 64 H TRP 64 -3.946 -3.044 -18.279 383 HA TRP 64 HA TRP 64 -2.322 -3.167 -15.842 384 HB3 TRP 64 2HB TRP 64 -3.977 -4.799 -15.066 385 HD1 TRP 64 HD TRP 64 -6.568 -2.626 -16.756 386 HE1 TRP 64 1HE TRP 64 -7.412 -0.672 -15.195 387 HE3 TRP 64 3HE TRP 64 -2.986 -3.218 -13.196 388 HZ2 TRP 64 2HZ TRP 64 -6.506 0.383 -12.703 389 HZ3 TRP 64 3HZ TRP 64 -3.037 -1.685 -11.231 390 HH2 TRP 64 HH TRP 64 -4.719 0.067 -10.951 391 H PHE 65 H PHE 65 -0.747 -4.738 -15.659 392 HA PHE 65 HA PHE 65 -0.747 -6.813 -17.734 393 HB3 PHE 65 2HB PHE 65 1.916 -6.265 -16.812 394 HD1 PHE 65 1HD PHE 65 -0.252 -4.496 -19.296 395 HD2 PHE 65 2HD PHE 65 3.073 -7.049 -18.636 396 HE1 PHE 65 1HE PHE 65 0.182 -4.569 -21.766 397 HE2 PHE 65 2HE PHE 65 3.508 -7.121 -21.107 398 HZ PHE 65 HZ PHE 65 2.057 -5.880 -22.642 399 H THR 66 H THR 66 -1.255 -8.684 -16.675 400 HA THR 66 HA THR 66 -1.172 -9.232 -14.048 401 HB THR 66 HB THR 66 -0.627 -10.960 -16.504 402 HG1 THR 66 1HG THR 66 -2.748 -9.943 -16.104 403 HG21 THR 66 3HG2 THR 66 -0.475 -11.679 -13.621 404 HG22 THR 66 1HG2 THR 66 -1.675 -12.626 -14.534 405 HG23 THR 66 2HG2 THR 66 0.031 -12.618 -15.046 406 H VAL 67 H VAL 67 0.311 -8.931 -12.516 407 HA VAL 67 HA VAL 67 3.101 -9.000 -13.248 408 HB VAL 67 HB VAL 67 1.566 -8.345 -10.735 409 HG11 VAL 67 1HG1 VAL 67 4.267 -9.260 -10.902 410 HG12 VAL 67 2HG1 VAL 67 4.295 -7.520 -10.527 411 HG13 VAL 67 3HG1 VAL 67 3.387 -8.641 -9.485 412 HG21 VAL 67 3HG2 VAL 67 1.364 -6.493 -12.083 413 HG22 VAL 67 1HG2 VAL 67 2.899 -6.117 -11.262 414 HG23 VAL 67 2HG2 VAL 67 2.912 -6.786 -12.912 415 H ILE 68 H ILE 68 0.741 -10.875 -11.269 416 HA ILE 68 HA ILE 68 2.334 -13.220 -11.618 417 HB ILE 68 HB ILE 68 2.942 -11.625 -9.405 418 HG13 ILE 68 2HG1 ILE 68 4.432 -13.469 -8.817 419 HG21 ILE 68 1HG2 ILE 68 2.340 -13.036 -7.488 420 HG22 ILE 68 2HG2 ILE 68 0.905 -12.352 -8.287 421 HG23 ILE 68 3HG2 ILE 68 1.344 -14.056 -8.552 422 HD11 ILE 68 3HD1 ILE 68 4.335 -15.610 -9.929 423 HD12 ILE 68 1HD1 ILE 68 2.707 -15.300 -9.278 424 HD13 ILE 68 2HD1 ILE 68 3.033 -15.058 -11.011 425 H GLU 69 H GLU 69 1.204 -15.134 -10.460 426 HA GLU 69 HA GLU 69 -1.604 -14.545 -10.061 427 HB3 GLU 69 2HB GLU 69 -2.198 -16.548 -11.504 428 HG3 GLU 69 2HG GLU 69 -1.101 -15.138 -13.662 429 H HIS 70 H HIS 70 -2.703 -16.096 -8.705 430 HA HIS 70 HA HIS 70 -2.759 -17.350 -6.890 431 HB3 HIS 70 2HB HIS 70 -2.362 -19.611 -7.251 432 HD1 HIS 70 1HD HIS 70 -4.567 -19.869 -8.484 433 HD2 HIS 70 2HD HIS 70 -1.496 -18.386 -10.925 434 HE1 HIS 70 1HE HIS 70 -5.483 -19.871 -10.866 435 H TYR 71 H TYR 71 -1.379 -15.510 -5.920 436 HA TYR 71 HA TYR 71 1.351 -16.322 -5.352 437 HB3 TYR 71 2HB TYR 71 -0.176 -13.951 -4.186 438 HD1 TYR 71 2HD TYR 71 2.884 -15.160 -5.969 439 HD2 TYR 71 1HD TYR 71 1.196 -12.261 -3.314 440 HE1 TYR 71 2HE TYR 71 5.203 -14.228 -5.502 441 HE2 TYR 71 1HE TYR 71 3.521 -11.338 -2.855 442 HH TYR 71 HH TYR 71 6.204 -12.893 -3.344 443 H HIS 72 H HIS 72 1.991 -15.664 -2.902 444 HA HIS 72 HA HIS 72 0.061 -17.097 -1.224 445 HB3 HIS 72 2HB HIS 72 2.881 -17.012 -0.350 446 HD1 HIS 72 1HD HIS 72 -0.115 -19.237 -1.221 447 HD2 HIS 72 2HD HIS 72 3.108 -19.063 1.459 448 HE1 HIS 72 1HE HIS 72 -0.443 -21.165 0.418 449 H ARG 73 H ARG 73 2.928 -14.891 -0.817 450 HA ARG 73 HA ARG 73 2.036 -13.821 1.533 451 HB3 ARG 73 2HB ARG 73 3.496 -11.825 -0.022 452 HG3 ARG 73 2HG ARG 73 5.183 -13.367 1.744 453 HD3 ARG 73 2HD ARG 73 3.727 -10.722 2.221 454 HE ARG 73 HE ARG 73 6.390 -11.131 3.331 455 HH11 ARG 73 2HH2 ARG 73 2.962 -11.691 3.902 456 HH12 ARG 73 1HH2 ARG 73 3.133 -11.782 5.622 457 HH21 ARG 73 2HH1 ARG 73 6.616 -11.251 5.602 458 HH22 ARG 73 1HH1 ARG 73 5.225 -11.530 6.597 459 H THR 74 H THR 74 1.601 -11.258 1.735 460 HA THR 74 HA THR 74 -0.552 -10.643 -0.179 461 HB THR 74 HB THR 74 -1.451 -9.307 1.815 462 HG1 THR 74 1HG THR 74 0.727 -9.262 2.842 463 HG21 THR 74 3HG2 THR 74 -2.017 -11.343 3.239 464 HG22 THR 74 1HG2 THR 74 -2.395 -11.556 1.513 465 HG23 THR 74 2HG2 THR 74 -0.933 -12.300 2.203 466 H SER 75 H SER 75 2.575 -10.053 0.047 467 HA SER 75 HA SER 75 2.175 -7.317 -0.814 468 HB3 SER 75 2HB SER 75 3.151 -6.524 1.070 469 HG SER 75 HG SER 75 4.576 -8.275 2.325 470 H ALA 76 H ALA 76 3.679 -6.648 -2.458 471 HA ALA 76 HA ALA 76 5.817 -8.450 -3.169 472 HB1 ALA 76 3HB ALA 76 5.000 -9.060 -5.307 473 HB2 ALA 76 1HB ALA 76 3.618 -9.315 -4.215 474 HB3 ALA 76 2HB ALA 76 3.685 -7.862 -5.243 475 H THR 77 H THR 77 7.497 -7.321 -4.110 476 HA THR 77 HA THR 77 7.082 -4.452 -4.363 477 HB THR 77 HB THR 77 9.621 -6.160 -4.521 478 HG1 THR 77 1HG THR 77 8.310 -6.300 -2.501 479 HG21 THR 77 3HG2 THR 77 9.336 -3.473 -5.125 480 HG22 THR 77 1HG2 THR 77 9.604 -3.407 -3.367 481 HG23 THR 77 2HG2 THR 77 10.811 -4.181 -4.423 482 H ILE 78 H ILE 78 6.954 -3.330 -6.219 483 HA ILE 78 HA ILE 78 7.049 -4.909 -8.660 484 HB ILE 78 HB ILE 78 6.119 -2.073 -8.202 485 HG13 ILE 78 2HG1 ILE 78 3.931 -2.845 -7.916 486 HG21 ILE 78 1HG2 ILE 78 4.899 -2.471 -10.354 487 HG22 ILE 78 2HG2 ILE 78 6.671 -2.393 -10.503 488 HG23 ILE 78 3HG2 ILE 78 5.843 -3.968 -10.545 489 HD11 ILE 78 3HD1 ILE 78 4.880 -5.658 -8.629 490 HD12 ILE 78 1HD1 ILE 78 3.210 -5.151 -8.278 491 HD13 ILE 78 2HD1 ILE 78 4.024 -4.575 -9.752 492 H THR 79 H THR 79 8.100 -3.878 -10.625 493 HA THR 79 HA THR 79 10.404 -2.225 -9.887 494 HB THR 79 HB THR 79 11.300 -4.475 -9.810 495 HG1 THR 79 1HG THR 79 12.776 -4.122 -11.513 496 HG21 THR 79 3HG2 THR 79 10.048 -6.089 -10.883 497 HG22 THR 79 1HG2 THR 79 9.373 -4.917 -12.040 498 HG23 THR 79 2HG2 THR 79 10.986 -5.614 -12.319 499 H GLU 80 H GLU 80 11.660 -1.972 -12.274 500 HA GLU 80 HA GLU 80 11.586 -0.790 -14.095 501 HB3 GLU 80 2HB GLU 80 9.715 -1.375 -15.767 502 HG3 GLU 80 2HG GLU 80 11.524 -3.416 -14.439 503 H LEU 81 H LEU 81 10.938 0.818 -12.082 504 HA LEU 81 HA LEU 81 8.561 2.268 -13.022 505 HB3 LEU 81 2HB LEU 81 8.414 3.133 -10.688 506 HG LEU 81 HG LEU 81 8.171 0.135 -11.023 507 HD11 LEU 81 1HD1 LEU 81 7.455 -0.138 -8.913 508 HD12 LEU 81 2HD1 LEU 81 8.376 1.352 -8.597 509 HD13 LEU 81 3HD1 LEU 81 6.621 1.434 -8.879 510 HD21 LEU 81 3HD2 LEU 81 6.084 0.455 -11.807 511 HD22 LEU 81 1HD2 LEU 81 5.779 1.852 -10.747 512 HD23 LEU 81 2HD2 LEU 81 6.717 2.060 -12.245 513 H VAL 82 H VAL 82 8.837 4.372 -13.650 514 HA VAL 82 HA VAL 82 11.584 5.331 -13.613 515 HB VAL 82 HB VAL 82 10.414 5.267 -15.730 516 HG11 VAL 82 1HG1 VAL 82 8.524 7.419 -15.357 517 HG12 VAL 82 2HG1 VAL 82 8.254 5.769 -15.969 518 HG13 VAL 82 3HG1 VAL 82 8.176 6.094 -14.220 519 HG21 VAL 82 3HG2 VAL 82 10.361 8.022 -15.925 520 HG22 VAL 82 1HG2 VAL 82 11.426 7.745 -14.525 521 HG23 VAL 82 2HG2 VAL 82 11.804 6.993 -16.094 522 H ILE 83 H ILE 83 12.240 7.238 -12.592 523 HA ILE 83 HA ILE 83 10.523 8.064 -10.437 524 HB ILE 83 HB ILE 83 13.320 8.859 -11.250 525 HG13 ILE 83 2HG1 ILE 83 13.009 6.490 -10.542 526 HG21 ILE 83 1HG2 ILE 83 12.937 9.459 -8.551 527 HG22 ILE 83 2HG2 ILE 83 13.091 10.609 -9.900 528 HG23 ILE 83 3HG2 ILE 83 11.480 10.074 -9.366 529 HD11 ILE 83 3HD1 ILE 83 14.420 7.609 -8.194 530 HD12 ILE 83 1HD1 ILE 83 15.030 6.550 -9.489 531 HD13 ILE 83 2HD1 ILE 83 14.948 8.310 -9.744 532 H GLY 84 H GLY 84 8.799 9.294 -11.089 533 HA2 GLY 84 1HA GLY 84 8.716 11.867 -11.429 534 HA3 GLY 84 2HA GLY 84 9.294 11.443 -13.027 535 H ASN 85 H ASN 85 7.853 8.842 -13.161 536 HA ASN 85 HA ASN 85 5.283 9.979 -13.813 537 HB3 ASN 85 2HB ASN 85 5.011 7.554 -14.830 538 HD21 ASN 85 1HD2 ASN 85 7.097 7.203 -16.744 539 HD22 ASN 85 2HD2 ASN 85 7.108 8.571 -17.807 540 H GLU 86 H GLU 86 3.282 8.585 -13.273 541 HA GLU 86 HA GLU 86 3.680 7.406 -10.643 542 HB3 GLU 86 2HB GLU 86 1.339 7.926 -10.202 543 HG3 GLU 86 2HG GLU 86 3.020 10.116 -11.450 544 H TYR 87 H TYR 87 1.974 5.590 -10.127 545 HA TYR 87 HA TYR 87 1.210 4.048 -12.452 546 HB3 TYR 87 2HB TYR 87 2.505 2.061 -11.408 547 HD1 TYR 87 1HD TYR 87 3.189 2.035 -13.762 548 HD2 TYR 87 2HD TYR 87 4.928 4.791 -10.989 549 HE1 TYR 87 1HE TYR 87 5.064 2.520 -15.409 550 HE2 TYR 87 2HE TYR 87 6.797 5.267 -12.646 551 HH TYR 87 HH TYR 87 6.618 4.324 -15.883 552 H TYR 88 H TYR 88 -0.327 2.368 -11.947 553 HA TYR 88 HA TYR 88 -1.489 2.721 -9.269 554 HB3 TYR 88 2HB TYR 88 -3.465 1.617 -10.736 555 HD1 TYR 88 1HD TYR 88 -4.069 3.499 -9.013 556 HD2 TYR 88 2HD TYR 88 -2.689 4.253 -12.992 557 HE1 TYR 88 1HE TYR 88 -5.075 5.832 -8.927 558 HE2 TYR 88 2HE TYR 88 -3.699 6.584 -12.893 559 HH TYR 88 HH TYR 88 -4.421 8.122 -10.251 560 H PHE 89 H PHE 89 -2.982 0.626 -8.792 561 HA PHE 89 HA PHE 89 -1.798 -1.822 -9.672 562 HB3 PHE 89 2HB PHE 89 -0.986 -2.442 -7.395 563 HD1 PHE 89 1HD PHE 89 1.008 -2.374 -8.882 564 HD2 PHE 89 2HD PHE 89 -0.387 1.085 -6.859 565 HE1 PHE 89 1HE PHE 89 3.221 -1.254 -9.271 566 HE2 PHE 89 2HE PHE 89 1.825 2.205 -7.248 567 HZ PHE 89 HZ PHE 89 3.602 1.022 -8.448 568 H ARG 90 H ARG 90 -2.977 -3.722 -8.840 569 HA ARG 90 HA ARG 90 -5.255 -3.191 -7.221 570 HB3 ARG 90 2HB ARG 90 -6.775 -4.305 -9.069 571 HG3 ARG 90 2HG ARG 90 -5.820 -1.497 -9.732 572 HD3 ARG 90 2HD ARG 90 -8.277 -1.127 -10.019 573 HE ARG 90 HE ARG 90 -6.726 -2.903 -11.691 574 HH11 ARG 90 2HH2 ARG 90 -9.997 -1.701 -11.208 575 HH12 ARG 90 1HH2 ARG 90 -10.466 -1.941 -12.858 576 HH21 ARG 90 2HH1 ARG 90 -7.344 -3.220 -13.868 577 HH22 ARG 90 1HH1 ARG 90 -8.947 -2.811 -14.381 578 H VAL 91 H VAL 91 -5.573 -5.010 -5.955 579 HA VAL 91 HA VAL 91 -4.269 -7.467 -6.867 580 HB VAL 91 HB VAL 91 -5.117 -6.496 -4.133 581 HG11 VAL 91 1HG1 VAL 91 -3.432 -8.945 -4.545 582 HG12 VAL 91 2HG1 VAL 91 -4.495 -8.505 -3.186 583 HG13 VAL 91 3HG1 VAL 91 -5.199 -9.070 -4.719 584 HG21 VAL 91 3HG2 VAL 91 -2.288 -7.154 -4.817 585 HG22 VAL 91 1HG2 VAL 91 -2.968 -5.653 -5.491 586 HG23 VAL 91 2HG2 VAL 91 -2.948 -5.909 -3.729 587 H PHE 92 H PHE 92 -5.453 -9.251 -7.395 588 HA PHE 92 HA PHE 92 -8.328 -9.083 -6.816 589 HB3 PHE 92 2HB PHE 92 -8.557 -10.374 -8.947 590 HD1 PHE 92 2HD PHE 92 -5.441 -8.352 -9.234 591 HD2 PHE 92 1HD PHE 92 -9.596 -8.616 -10.057 592 HE1 PHE 92 2HE PHE 92 -5.303 -6.251 -10.602 593 HE2 PHE 92 1HE PHE 92 -9.458 -6.515 -11.425 594 HZ PHE 92 HZ PHE 92 -7.314 -5.359 -11.680 595 H SER 93 H SER 93 -9.225 -10.716 -5.627 596 HA SER 93 HA SER 93 -7.518 -12.625 -4.501 597 HB3 SER 93 2HB SER 93 -9.590 -13.499 -3.441 598 HG SER 93 HG SER 93 -9.655 -10.607 -3.609 599 H GLU 94 H GLU 94 -7.575 -14.977 -4.744 600 HA GLU 94 HA GLU 94 -8.864 -15.833 -7.211 601 HB3 GLU 94 2HB GLU 94 -6.534 -17.404 -6.969 602 HG3 GLU 94 2HG GLU 94 -5.891 -15.457 -8.840 603 H ASN 95 H ASN 95 -8.984 -18.345 -7.310 604 HA ASN 95 HA ASN 95 -8.831 -19.634 -4.779 605 HB3 ASN 95 2HB ASN 95 -10.996 -19.096 -4.190 606 HD21 ASN 95 1HD2 ASN 95 -12.879 -19.777 -6.776 607 HD22 ASN 95 2HD2 ASN 95 -13.180 -18.195 -7.412 608 H MET 96 H MET 96 -10.816 -19.888 -7.837 609 HA MET 96 HA MET 96 -9.141 -21.789 -8.994 610 HB3 MET 96 2HB MET 96 -9.899 -23.475 -7.501 611 HG3 MET 96 2HG MET 96 -12.136 -21.646 -7.144 612 HE1 MET 96 3HE MET 96 -13.623 -25.976 -6.990 613 HE2 MET 96 1HE MET 96 -11.931 -25.650 -7.434 614 HE3 MET 96 2HE MET 96 -12.547 -25.143 -5.843 615 H CYS 97 H CYS 97 -12.443 -20.430 -8.621 616 HA CYS 97 HA CYS 97 -13.425 -21.133 -11.107 617 HB3 CYS 97 2HB CYS 97 -14.883 -19.023 -10.763 618 HG CYS 97 HG CYS 97 -14.681 -21.891 -9.600 619 H GLY 98 H GLY 98 -11.789 -18.082 -9.975 620 HA2 GLY 98 1HA GLY 98 -10.150 -17.753 -12.181 621 HA3 GLY 98 2HA GLY 98 -11.648 -16.930 -12.569 622 H LEU 99 H LEU 99 -10.974 -14.780 -12.418 623 HA LEU 99 HA LEU 99 -9.579 -13.975 -9.998 624 HB3 LEU 99 2HB LEU 99 -9.628 -11.730 -11.287 625 HG LEU 99 HG LEU 99 -7.742 -12.286 -12.712 626 HD11 LEU 99 1HD1 LEU 99 -7.474 -12.094 -10.222 627 HD12 LEU 99 2HD1 LEU 99 -7.496 -13.872 -10.146 628 HD13 LEU 99 3HD1 LEU 99 -6.209 -13.037 -11.048 629 HD21 LEU 99 3HD2 LEU 99 -8.963 -14.647 -13.219 630 HD22 LEU 99 1HD2 LEU 99 -7.243 -14.320 -13.542 631 HD23 LEU 99 2HD2 LEU 99 -7.723 -15.171 -12.054 632 H SER 100 H SER 100 -10.379 -11.706 -9.116 633 HA SER 100 HA SER 100 -13.051 -12.210 -8.278 634 HB3 SER 100 2HB SER 100 -11.643 -11.414 -6.554 635 HG SER 100 HG SER 100 -10.739 -9.509 -8.516 636 H GLU 101 H GLU 101 -14.921 -11.183 -8.983 637 HA GLU 101 HA GLU 101 -15.012 -9.978 -11.391 638 HB3 GLU 101 2HB GLU 101 -17.093 -8.883 -9.666 639 HG3 GLU 101 2HG GLU 101 -17.955 -11.181 -11.159 640 H ASP 102 H ASP 102 -14.603 -8.442 -8.158 641 HA ASP 102 HA ASP 102 -14.041 -5.965 -9.592 642 HB3 ASP 102 2HB ASP 102 -15.810 -5.238 -8.308 643 H ALA 103 H ALA 103 -12.259 -4.647 -8.611 644 HA ALA 103 HA ALA 103 -10.583 -6.177 -6.749 645 HB1 ALA 103 3HB ALA 103 -10.020 -5.284 -9.507 646 HB2 ALA 103 1HB ALA 103 -8.784 -4.796 -8.323 647 HB3 ALA 103 2HB ALA 103 -9.204 -6.516 -8.515 648 H THR 104 H THR 104 -9.388 -4.903 -5.253 649 HA THR 104 HA THR 104 -10.461 -2.193 -4.983 650 HB THR 104 HB THR 104 -8.991 -4.088 -3.074 651 HG1 THR 104 1HG THR 104 -11.713 -3.022 -3.374 652 HG21 THR 104 3HG2 THR 104 -8.695 -2.242 -1.752 653 HG22 THR 104 1HG2 THR 104 -9.579 -1.211 -2.903 654 HG23 THR 104 2HG2 THR 104 -10.469 -2.127 -1.663 655 H MET 105 H MET 105 -9.356 -0.681 -6.077 656 HA MET 105 HA MET 105 -6.515 -1.030 -6.356 657 HB3 MET 105 2HB MET 105 -8.377 1.211 -7.322 658 HG3 MET 105 2HG MET 105 -5.966 0.481 -8.896 659 HE1 MET 105 3HE MET 105 -6.951 1.524 -10.735 660 HE2 MET 105 1HE MET 105 -6.984 3.285 -10.997 661 HE3 MET 105 2HE MET 105 -5.439 2.462 -10.669 662 H THR 106 H THR 106 -4.920 0.497 -5.614 663 HA THR 106 HA THR 106 -5.295 1.469 -3.056 664 HB THR 106 HB THR 106 -3.133 2.691 -3.571 665 HG1 THR 106 1HG THR 106 -4.018 3.062 -5.860 666 HG21 THR 106 3HG2 THR 106 -2.159 0.641 -3.296 667 HG22 THR 106 1HG2 THR 106 -3.617 -0.168 -3.919 668 HG23 THR 106 2HG2 THR 106 -2.350 0.372 -5.046 669 H LYS 107 H LYS 107 -6.335 3.136 -2.171 670 HA LYS 107 HA LYS 107 -8.043 4.750 -3.461 671 HB3 LYS 107 2HB LYS 107 -6.890 6.298 -1.353 672 HG3 LYS 107 2HG LYS 107 -9.028 4.958 -0.255 673 HD3 LYS 107 2HD LYS 107 -9.709 7.014 -2.331 674 HE3 LYS 107 2HE LYS 107 -10.104 7.384 0.622 675 HZ1 LYS 107 3HZ LYS 107 -11.394 8.037 -1.858 676 HZ2 LYS 107 1HZ LYS 107 -12.406 7.703 -0.621 677 HZ3 LYS 107 2HZ LYS 107 -11.301 8.897 -0.472 678 H GLU 108 H GLU 108 -4.513 5.024 -3.373 679 HA GLU 108 HA GLU 108 -4.776 7.162 -5.306 680 HB3 GLU 108 2HB GLU 108 -2.770 8.312 -4.154 681 HG3 GLU 108 2HG GLU 108 -5.611 8.220 -3.155 682 H SER 109 H SER 109 -2.593 7.536 -6.473 683 HA SER 109 HA SER 109 -1.554 4.934 -7.057 684 HB3 SER 109 2HB SER 109 -2.095 6.419 -8.918 685 HG SER 109 HG SER 109 -1.697 8.505 -8.710 686 H ALA 110 H ALA 110 1.010 4.954 -7.563 687 HA ALA 110 HA ALA 110 2.254 6.018 -5.127 688 HB1 ALA 110 3HB ALA 110 3.404 3.843 -6.884 689 HB2 ALA 110 1HB ALA 110 3.668 4.146 -5.150 690 HB3 ALA 110 2HB ALA 110 2.119 3.472 -5.709 691 H VAL 111 H VAL 111 3.476 7.809 -5.410 692 HA VAL 111 HA VAL 111 4.347 8.466 -8.091 693 HB VAL 111 HB VAL 111 4.321 9.899 -5.439 694 HG11 VAL 111 1HG1 VAL 111 4.975 11.757 -7.447 695 HG12 VAL 111 2HG1 VAL 111 6.012 11.190 -6.116 696 HG13 VAL 111 3HG1 VAL 111 6.072 10.378 -7.698 697 HG21 VAL 111 3HG2 VAL 111 2.263 10.427 -6.136 698 HG22 VAL 111 1HG2 VAL 111 3.038 11.420 -7.396 699 HG23 VAL 111 2HG2 VAL 111 2.557 9.744 -7.754 700 H ILE 112 H ILE 112 6.270 7.788 -8.869 701 HA ILE 112 HA ILE 112 8.168 6.583 -7.138 702 HB ILE 112 HB ILE 112 8.436 7.377 -10.038 703 HG13 ILE 112 2HG1 ILE 112 7.686 5.096 -10.558 704 HG21 ILE 112 1HG2 ILE 112 10.465 6.656 -8.501 705 HG22 ILE 112 2HG2 ILE 112 9.816 5.027 -8.812 706 HG23 ILE 112 3HG2 ILE 112 10.303 6.066 -10.173 707 HD11 ILE 112 3HD1 ILE 112 6.315 4.560 -8.055 708 HD12 ILE 112 1HD1 ILE 112 7.435 3.514 -8.961 709 HD13 ILE 112 2HD1 ILE 112 8.069 4.674 -7.770 710 H ALA 113 H ALA 113 10.243 7.315 -6.520 711 HA ALA 113 HA ALA 113 11.342 9.738 -7.356 712 HB1 ALA 113 3HB ALA 113 10.671 10.384 -4.628 713 HB2 ALA 113 1HB ALA 113 10.311 11.297 -6.114 714 HB3 ALA 113 2HB ALA 113 9.175 10.056 -5.534 715 H ARG 114 H ARG 114 13.382 10.165 -6.242 716 HA ARG 114 HA ARG 114 14.231 7.780 -4.823 717 HB3 ARG 114 2HB ARG 114 15.725 8.017 -6.612 718 HG3 ARG 114 2HG ARG 114 15.275 11.003 -6.255 719 HD3 ARG 114 2HD ARG 114 16.908 11.024 -8.361 720 HE ARG 114 HE ARG 114 17.663 12.282 -6.467 721 HH11 ARG 114 2HH2 ARG 114 18.350 8.847 -6.134 722 HH12 ARG 114 1HH2 ARG 114 19.482 9.068 -4.842 723 HH21 ARG 114 2HH1 ARG 114 19.157 12.574 -4.762 724 HH22 ARG 114 1HH1 ARG 114 19.944 11.203 -4.057 725 H ASP 115 H ASP 115 13.730 8.243 -2.644 726 HA ASP 115 HA ASP 115 15.469 9.979 -1.328 727 HB3 ASP 115 2HB ASP 115 12.534 10.830 -1.385 728 H GLY 116 H GLY 116 14.723 10.086 1.149 729 HA2 GLY 116 1HA GLY 116 13.645 7.443 1.816 730 HA3 GLY 116 2HA GLY 116 14.582 8.500 2.853 731 H LYS 117 H LYS 117 13.009 8.341 4.568 732 HA LYS 117 HA LYS 117 10.656 10.005 4.046 733 HB3 LYS 117 2HB LYS 117 9.939 7.663 4.027 734 HG3 LYS 117 2HG LYS 117 11.504 7.622 6.605 735 HD3 LYS 117 2HD LYS 117 9.045 7.111 7.146 736 HE3 LYS 117 2HE LYS 117 9.197 4.383 6.126 737 HZ1 LYS 117 3HZ LYS 117 7.148 5.162 6.713 738 HZ2 LYS 117 1HZ LYS 117 7.347 6.630 6.023 739 HZ3 LYS 117 2HZ LYS 117 7.068 5.319 5.089 740 H ILE 118 H ILE 118 9.905 11.218 5.910 741 HA ILE 118 HA ILE 118 10.087 12.131 7.954 742 HB ILE 118 HB ILE 118 11.473 9.861 8.409 743 HG13 ILE 118 2HG1 ILE 118 10.072 11.641 9.885 744 HG21 ILE 118 1HG2 ILE 118 13.667 10.125 8.927 745 HG22 ILE 118 2HG2 ILE 118 13.540 11.387 7.678 746 HG23 ILE 118 3HG2 ILE 118 13.472 11.830 9.401 747 HD11 ILE 118 3HD1 ILE 118 11.202 9.048 10.217 748 HD12 ILE 118 1HD1 ILE 118 11.586 9.954 11.700 749 HD13 ILE 118 2HD1 ILE 118 9.895 9.788 11.173 750 H TYR 119 H TYR 119 10.877 14.181 8.519 751 HA TYR 119 HA TYR 119 12.903 15.198 6.654 752 HB3 TYR 119 2HB TYR 119 11.691 17.388 7.736 753 HD1 TYR 119 1HD TYR 119 12.582 16.644 5.079 754 HD2 TYR 119 2HD TYR 119 8.635 16.541 6.723 755 HE1 TYR 119 1HE TYR 119 11.597 16.882 2.747 756 HE2 TYR 119 2HE TYR 119 7.662 16.778 4.386 757 HH TYR 119 HH TYR 119 8.300 16.338 2.121 758 H LYS 120 H LYS 120 13.195 13.747 9.403 759 HA LYS 120 HA LYS 120 14.671 15.917 10.723 760 HB3 LYS 120 2HB LYS 120 14.077 13.517 12.315 761 HG3 LYS 120 2HG LYS 120 13.473 16.483 12.722 762 HD3 LYS 120 2HD LYS 120 13.110 14.037 14.340 763 HE3 LYS 120 2HE LYS 120 15.078 16.077 15.192 764 HZ1 LYS 120 3HZ LYS 120 13.898 16.905 16.836 765 HZ2 LYS 120 1HZ LYS 120 12.595 15.984 16.481 766 HZ3 LYS 120 2HZ LYS 120 13.746 15.417 17.492
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