NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
499482 | 2kzh | 17005 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -2.924 15.423 -4.085 2 H2 MET 1 2HT MET 1 -2.818 15.290 -5.783 3 H3 MET 1 3HT MET 1 -2.030 14.174 -4.807 4 HA MET 1 HA MET 1 -4.074 13.305 -4.030 5 HB2 MET 1 2HB MET 1 -5.336 15.226 -6.038 6 HB3 MET 1 1HB MET 1 -6.183 13.964 -5.176 7 HG2 MET 1 2HG MET 1 -6.700 16.058 -4.167 8 HG3 MET 1 1HG MET 1 -5.688 15.143 -3.056 9 HE1 MET 1 2HE MET 1 -5.322 17.424 -1.695 10 HE2 MET 1 3HE MET 1 -6.300 18.298 -2.871 11 HE3 MET 1 1HE MET 1 -4.707 18.907 -2.424 12 H GLY 2 H GLY 2 -5.683 12.141 -5.901 13 HA2 GLY 2 2HA GLY 2 -4.015 11.743 -8.241 14 HA3 GLY 2 1HA GLY 2 -4.318 10.347 -7.227 15 H GLU 3 H GLU 3 -5.076 9.820 -9.478 16 HA GLU 3 HA GLU 3 -7.320 10.671 -10.762 17 HB2 GLU 3 2HB GLU 3 -6.729 7.725 -10.432 18 HB3 GLU 3 1HB GLU 3 -7.510 8.513 -11.785 19 HG2 GLU 3 2HG GLU 3 -5.378 7.923 -12.557 20 HG3 GLU 3 1HG GLU 3 -5.249 9.643 -12.203 21 H ASN 4 H ASN 4 -7.333 7.958 -8.395 22 HA ASN 4 HA ASN 4 -9.949 8.692 -7.472 23 HB2 ASN 4 2HB ASN 4 -11.003 6.505 -7.970 24 HB3 ASN 4 1HB ASN 4 -10.536 7.308 -9.455 25 HD21 ASN 4 1HD2 ASN 4 -7.782 6.565 -9.439 26 HD22 ASN 4 2HD2 ASN 4 -7.659 4.860 -9.653 27 H LYS 5 H LYS 5 -7.339 8.556 -6.546 28 HA LYS 5 HA LYS 5 -7.373 6.227 -4.833 29 HB2 LYS 5 2HB LYS 5 -5.010 6.710 -4.271 30 HB3 LYS 5 1HB LYS 5 -5.286 6.433 -5.977 31 HG2 LYS 5 2HG LYS 5 -5.360 9.011 -6.135 32 HG3 LYS 5 1HG LYS 5 -4.591 8.967 -4.547 33 HD2 LYS 5 2HD LYS 5 -2.831 9.114 -6.186 34 HD3 LYS 5 1HD LYS 5 -2.823 7.471 -5.542 35 HE2 LYS 5 2HE LYS 5 -4.103 6.687 -7.486 36 HE3 LYS 5 1HE LYS 5 -4.154 8.324 -8.116 37 HZ1 LYS 5 3HZ LYS 5 -1.798 6.560 -7.828 38 HZ2 LYS 5 1HZ LYS 5 -1.697 8.203 -8.263 39 HZ3 LYS 5 2HZ LYS 5 -2.541 7.149 -9.248 40 H VAL 6 H VAL 6 -8.656 6.493 -3.377 41 HA VAL 6 HA VAL 6 -8.581 8.846 -1.681 42 HB VAL 6 HB VAL 6 -10.702 8.227 -2.823 43 HG11 VAL 6 1HG1 VAL 6 -12.062 6.353 -1.997 44 HG12 VAL 6 2HG1 VAL 6 -10.669 5.787 -1.078 45 HG13 VAL 6 3HG1 VAL 6 -10.597 5.846 -2.837 46 HG21 VAL 6 3HG2 VAL 6 -12.181 8.494 -0.861 47 HG22 VAL 6 1HG2 VAL 6 -10.802 9.595 -0.825 48 HG23 VAL 6 2HG2 VAL 6 -10.808 8.153 0.193 49 H CYS 7 H CYS 7 -8.469 8.592 0.554 50 HA CYS 7 HA CYS 7 -7.037 6.246 1.527 51 HB2 CYS 7 2HB CYS 7 -6.839 7.742 3.544 52 HB3 CYS 7 1HB CYS 7 -6.141 8.436 2.081 53 HG CYS 7 HG CYS 7 -8.076 9.879 4.079 54 H GLY 8 H GLY 8 -7.885 5.736 4.035 55 HA2 GLY 8 2HA GLY 8 -9.847 3.956 3.513 56 HA3 GLY 8 1HA GLY 8 -9.421 4.553 5.102 57 H LEU 9 H LEU 9 -11.829 3.987 3.186 58 HA LEU 9 HA LEU 9 -13.522 6.014 4.334 59 HB2 LEU 9 2HB LEU 9 -12.697 6.655 2.051 60 HB3 LEU 9 1HB LEU 9 -13.399 5.183 1.436 61 HG LEU 9 HG LEU 9 -15.634 6.023 1.839 62 HD11 LEU 9 1HD1 LEU 9 -14.239 8.450 3.008 63 HD12 LEU 9 2HD1 LEU 9 -15.176 7.270 3.930 64 HD13 LEU 9 3HD1 LEU 9 -15.973 8.287 2.738 65 HD21 LEU 9 3HD2 LEU 9 -15.577 7.833 0.238 66 HD22 LEU 9 1HD2 LEU 9 -14.374 6.628 -0.186 67 HD23 LEU 9 2HD2 LEU 9 -13.879 8.129 0.594 68 H THR 10 H THR 10 -15.374 4.970 5.008 69 HA THR 10 HA THR 10 -15.474 2.115 4.377 70 HB THR 10 HB THR 10 -14.453 2.357 6.564 71 HG1 THR 10 1HG THR 10 -16.549 1.562 7.830 72 HG21 THR 10 3HG2 THR 10 -16.842 4.048 7.284 73 HG22 THR 10 1HG2 THR 10 -15.168 4.567 7.188 74 HG23 THR 10 2HG2 THR 10 -15.672 3.454 8.464 75 H ARG 11 H ARG 11 -16.865 4.702 3.676 76 HA ARG 11 HA ARG 11 -19.563 3.750 4.141 77 HB2 ARG 11 2HB ARG 11 -18.508 6.518 3.572 78 HB3 ARG 11 1HB ARG 11 -20.212 6.120 3.388 79 HG2 ARG 11 2HG ARG 11 -20.372 5.594 5.735 80 HG3 ARG 11 1HG ARG 11 -18.636 5.819 5.933 81 HD2 ARG 11 2HD ARG 11 -19.967 7.770 6.715 82 HD3 ARG 11 1HD ARG 11 -18.819 8.163 5.447 83 HE ARG 11 HE ARG 11 -20.623 8.266 3.887 84 HH11 ARG 11 1HH1 ARG 11 -21.707 8.115 7.286 85 HH12 ARG 11 2HH1 ARG 11 -23.112 9.033 7.003 86 HH21 ARG 11 1HH2 ARG 11 -22.579 9.514 3.547 87 HH22 ARG 11 2HH2 ARG 11 -23.616 9.820 4.869 88 H GLY 12 H GLY 12 -20.220 2.601 2.462 89 HA2 GLY 12 2HA GLY 12 -18.960 2.345 0.003 90 HA3 GLY 12 1HA GLY 12 -20.618 1.894 0.392 91 H GLN 13 H GLN 13 -21.466 4.537 0.980 92 HA GLN 13 HA GLN 13 -22.352 5.338 -1.613 93 HB2 GLN 13 2HB GLN 13 -22.586 6.954 0.920 94 HB3 GLN 13 1HB GLN 13 -23.625 7.015 -0.487 95 HG2 GLN 13 2HG GLN 13 -24.926 5.934 1.125 96 HG3 GLN 13 1HG GLN 13 -24.274 4.595 0.184 97 HE21 GLN 13 1HE2 GLN 13 -22.806 3.205 1.150 98 HE22 GLN 13 2HE2 GLN 13 -22.440 3.209 2.826 99 H ASP 14 H ASP 14 -19.796 6.040 0.387 100 HA ASP 14 HA ASP 14 -19.101 8.606 -0.766 101 HB2 ASP 14 2HB ASP 14 -18.332 6.940 1.566 102 HB3 ASP 14 1HB ASP 14 -17.205 8.205 1.071 103 H ALA 15 H ALA 15 -17.865 5.347 -0.290 104 HA ALA 15 HA ALA 15 -15.431 5.599 -1.658 105 HB1 ALA 15 1HB ALA 15 -17.072 3.117 -1.193 106 HB2 ALA 15 2HB ALA 15 -15.919 3.810 -0.056 107 HB3 ALA 15 3HB ALA 15 -15.356 3.166 -1.603 108 H LYS 16 H LYS 16 -18.658 4.864 -2.792 109 HA LYS 16 HA LYS 16 -17.996 3.808 -5.273 110 HB2 LYS 16 2HB LYS 16 -20.243 4.442 -6.044 111 HB3 LYS 16 1HB LYS 16 -20.262 3.665 -4.469 112 HG2 LYS 16 2HG LYS 16 -20.670 5.725 -3.365 113 HG3 LYS 16 1HG LYS 16 -20.354 6.646 -4.833 114 HD2 LYS 16 2HD LYS 16 -22.739 6.499 -4.355 115 HD3 LYS 16 1HD LYS 16 -22.338 5.706 -5.875 116 HE2 LYS 16 2HE LYS 16 -22.410 3.526 -4.726 117 HE3 LYS 16 1HE LYS 16 -22.846 4.336 -3.226 118 HZ1 LYS 16 3HZ LYS 16 -24.863 5.146 -4.312 119 HZ2 LYS 16 1HZ LYS 16 -24.792 3.458 -4.376 120 HZ3 LYS 16 2HZ LYS 16 -24.416 4.363 -5.732 121 H ALA 17 H ALA 17 -17.773 7.082 -4.199 122 HA ALA 17 HA ALA 17 -17.935 8.361 -6.708 123 HB1 ALA 17 1HB ALA 17 -18.113 9.567 -4.583 124 HB2 ALA 17 2HB ALA 17 -16.855 10.252 -5.612 125 HB3 ALA 17 3HB ALA 17 -16.417 9.219 -4.248 126 H ALA 18 H ALA 18 -15.353 6.640 -5.109 127 HA ALA 18 HA ALA 18 -13.295 7.577 -6.922 128 HB1 ALA 18 1HB ALA 18 -11.891 5.903 -5.706 129 HB2 ALA 18 2HB ALA 18 -13.344 5.433 -4.813 130 HB3 ALA 18 3HB ALA 18 -12.693 7.059 -4.632 131 H TYR 19 H TYR 19 -15.326 4.833 -6.391 132 HA TYR 19 HA TYR 19 -14.244 3.207 -8.447 133 HB2 TYR 19 2HB TYR 19 -15.435 1.794 -7.221 134 HB3 TYR 19 1HB TYR 19 -16.435 3.067 -6.548 135 HD1 TYR 19 1HD TYR 19 -16.006 0.673 -9.255 136 HD2 TYR 19 2HD TYR 19 -18.647 3.497 -7.562 137 HE1 TYR 19 1HE TYR 19 -17.825 -0.154 -10.735 138 HE2 TYR 19 2HE TYR 19 -20.471 2.711 -9.012 139 HH TYR 19 HH TYR 19 -20.585 1.579 -11.298 140 H ASP 20 H ASP 20 -16.798 5.515 -8.324 141 HA ASP 20 HA ASP 20 -17.593 5.123 -11.013 142 HB2 ASP 20 2HB ASP 20 -19.043 6.151 -9.317 143 HB3 ASP 20 1HB ASP 20 -17.965 7.538 -9.253 144 H ALA 21 H ALA 21 -15.089 6.923 -9.485 145 HA ALA 21 HA ALA 21 -14.511 8.654 -11.671 146 HB1 ALA 21 1HB ALA 21 -12.424 9.143 -10.473 147 HB2 ALA 21 2HB ALA 21 -12.746 7.801 -9.370 148 HB3 ALA 21 3HB ALA 21 -13.813 9.203 -9.388 149 H GLY 22 H GLY 22 -13.651 5.340 -10.852 150 HA2 GLY 22 2HA GLY 22 -13.108 4.807 -13.484 151 HA3 GLY 22 1HA GLY 22 -11.580 5.078 -12.667 152 H ALA 23 H ALA 23 -12.889 3.920 -10.050 153 HA ALA 23 HA ALA 23 -12.829 1.967 -8.967 154 HB1 ALA 23 1HB ALA 23 -13.626 0.672 -11.577 155 HB2 ALA 23 2HB ALA 23 -14.758 1.470 -10.505 156 HB3 ALA 23 3HB ALA 23 -13.885 0.029 -9.946 157 H ILE 24 H ILE 24 -10.648 3.019 -10.458 158 HA ILE 24 HA ILE 24 -9.161 0.970 -11.718 159 HB ILE 24 HB ILE 24 -8.127 3.579 -10.616 160 HG12 ILE 24 2HG1 ILE 24 -9.400 3.088 -13.325 161 HG13 ILE 24 1HG1 ILE 24 -10.148 3.983 -12.003 162 HG21 ILE 24 1HG2 ILE 24 -6.483 3.387 -12.440 163 HG22 ILE 24 2HG2 ILE 24 -7.205 1.856 -12.922 164 HG23 ILE 24 3HG2 ILE 24 -6.412 1.999 -11.353 165 HD11 ILE 24 3HD1 ILE 24 -8.377 5.665 -12.162 166 HD12 ILE 24 1HD1 ILE 24 -9.232 5.474 -13.695 167 HD13 ILE 24 2HD1 ILE 24 -7.633 4.759 -13.479 168 H TYR 25 H TYR 25 -8.732 2.809 -8.771 169 HA TYR 25 HA TYR 25 -8.098 0.779 -7.027 170 HB2 TYR 25 2HB TYR 25 -5.876 0.262 -7.213 171 HB3 TYR 25 1HB TYR 25 -6.020 0.876 -8.849 172 HD1 TYR 25 1HD TYR 25 -5.078 3.056 -9.411 173 HD2 TYR 25 2HD TYR 25 -4.872 1.420 -5.530 174 HE1 TYR 25 1HE TYR 25 -3.403 4.726 -8.810 175 HE2 TYR 25 2HE TYR 25 -3.305 2.978 -4.867 176 HH TYR 25 HH TYR 25 -1.554 4.494 -5.950 177 H GLY 26 H GLY 26 -7.494 1.521 -4.997 178 HA2 GLY 26 2HA GLY 26 -7.877 4.418 -4.776 179 HA3 GLY 26 1HA GLY 26 -8.600 3.284 -3.626 180 H GLY 27 H GLY 27 -6.928 5.323 -2.659 181 HA2 GLY 27 2HA GLY 27 -4.315 4.003 -2.274 182 HA3 GLY 27 1HA GLY 27 -4.560 5.742 -2.286 183 H LEU 28 H LEU 28 -5.156 2.815 -0.504 184 HA LEU 28 HA LEU 28 -5.740 4.425 1.827 185 HB2 LEU 28 2HB LEU 28 -7.263 2.699 2.651 186 HB3 LEU 28 1HB LEU 28 -7.803 3.335 1.126 187 HG LEU 28 HG LEU 28 -8.330 1.042 1.139 188 HD11 LEU 28 1HD1 LEU 28 -5.908 1.342 -0.564 189 HD12 LEU 28 2HD1 LEU 28 -7.593 1.646 -1.007 190 HD13 LEU 28 3HD1 LEU 28 -7.036 0.007 -0.641 191 HD21 LEU 28 3HD2 LEU 28 -6.746 -0.797 1.526 192 HD22 LEU 28 1HD2 LEU 28 -6.934 0.238 2.942 193 HD23 LEU 28 2HD2 LEU 28 -5.499 0.384 1.929 194 H ILE 29 H ILE 29 -4.959 3.722 3.694 195 HA ILE 29 HA ILE 29 -2.883 1.622 3.511 196 HB ILE 29 HB ILE 29 -2.820 3.680 5.630 197 HG12 ILE 29 2HG1 ILE 29 -1.633 4.002 2.872 198 HG13 ILE 29 1HG1 ILE 29 -2.967 4.926 3.573 199 HG21 ILE 29 1HG2 ILE 29 -0.844 1.968 4.245 200 HG22 ILE 29 2HG2 ILE 29 -1.414 1.824 5.910 201 HG23 ILE 29 3HG2 ILE 29 -0.389 3.188 5.435 202 HD11 ILE 29 3HD1 ILE 29 -0.132 4.943 4.595 203 HD12 ILE 29 1HD1 ILE 29 -1.477 5.900 5.218 204 HD13 ILE 29 2HD1 ILE 29 -0.861 6.199 3.593 205 H PHE 30 H PHE 30 -2.638 0.220 5.359 206 HA PHE 30 HA PHE 30 -5.200 -0.411 6.502 207 HB2 PHE 30 2HB PHE 30 -2.626 -1.843 7.129 208 HB3 PHE 30 1HB PHE 30 -4.263 -2.467 7.193 209 HD1 PHE 30 1HD PHE 30 -5.413 -3.131 5.111 210 HD2 PHE 30 2HD PHE 30 -1.383 -1.750 5.148 211 HE1 PHE 30 1HE PHE 30 -5.069 -4.032 2.828 212 HE2 PHE 30 2HE PHE 30 -1.034 -2.618 2.931 213 HZ PHE 30 HZ PHE 30 -2.852 -3.755 1.734 214 H VAL 31 H VAL 31 -5.136 1.659 7.798 215 HA VAL 31 HA VAL 31 -3.711 1.134 10.301 216 HB VAL 31 HB VAL 31 -5.330 3.592 9.552 217 HG11 VAL 31 1HG1 VAL 31 -4.444 4.579 11.630 218 HG12 VAL 31 2HG1 VAL 31 -3.709 3.019 12.035 219 HG13 VAL 31 3HG1 VAL 31 -5.466 3.166 11.912 220 HG21 VAL 31 3HG2 VAL 31 -2.350 3.211 9.863 221 HG22 VAL 31 1HG2 VAL 31 -3.160 4.742 9.529 222 HG23 VAL 31 2HG2 VAL 31 -3.214 3.435 8.342 223 H ALA 32 H ALA 32 -4.616 0.219 11.932 224 HA ALA 32 HA ALA 32 -6.923 -1.223 11.723 225 HB1 ALA 32 1HB ALA 32 -6.697 -1.745 14.060 226 HB2 ALA 32 2HB ALA 32 -5.637 -0.359 14.299 227 HB3 ALA 32 3HB ALA 32 -5.109 -1.711 13.294 228 H THR 33 H THR 33 -8.766 -0.460 11.337 229 HA THR 33 HA THR 33 -10.815 0.256 11.606 230 HB THR 33 HB THR 33 -11.737 0.667 13.866 231 HG1 THR 33 1HG THR 33 -9.104 0.992 14.447 232 HG21 THR 33 3HG2 THR 33 -9.938 -1.739 13.611 233 HG22 THR 33 1HG2 THR 33 -11.595 -1.607 13.025 234 HG23 THR 33 2HG2 THR 33 -11.268 -1.598 14.761 235 H SER 34 H SER 34 -8.751 2.275 10.886 236 HA SER 34 HA SER 34 -9.985 4.620 12.012 237 HB2 SER 34 2HB SER 34 -7.686 4.255 10.106 238 HB3 SER 34 1HB SER 34 -8.259 5.823 10.690 239 HG SER 34 HG SER 34 -7.571 3.724 12.438 240 HA PRO 35 HA PRO 35 -12.570 5.026 8.395 241 HB2 PRO 35 2HB PRO 35 -13.756 7.332 8.976 242 HB3 PRO 35 1HB PRO 35 -14.089 5.884 9.944 243 HG2 PRO 35 2HG PRO 35 -12.341 8.230 10.560 244 HG3 PRO 35 1HG PRO 35 -13.395 7.312 11.646 245 HD2 PRO 35 2HD PRO 35 -10.644 6.962 11.415 246 HD3 PRO 35 1HD PRO 35 -11.776 5.764 12.077 247 H ARG 36 H ARG 36 -9.823 6.335 8.785 248 HA ARG 36 HA ARG 36 -9.992 8.068 6.417 249 HB2 ARG 36 2HB ARG 36 -8.082 9.384 7.328 250 HB3 ARG 36 1HB ARG 36 -9.566 9.493 8.266 251 HG2 ARG 36 2HG ARG 36 -8.608 7.800 9.813 252 HG3 ARG 36 1HG ARG 36 -7.080 7.955 8.932 253 HD2 ARG 36 2HD ARG 36 -7.122 9.378 10.932 254 HD3 ARG 36 1HD ARG 36 -7.015 10.342 9.458 255 HE ARG 36 HE ARG 36 -9.536 10.533 9.716 256 HH11 ARG 36 1HH1 ARG 36 -7.294 10.442 12.460 257 HH12 ARG 36 2HH1 ARG 36 -8.339 11.252 13.524 258 HH21 ARG 36 1HH2 ARG 36 -10.999 11.648 11.196 259 HH22 ARG 36 2HH2 ARG 36 -10.483 11.980 12.773 260 H CYS 37 H CYS 37 -8.966 5.206 7.474 261 HA CYS 37 HA CYS 37 -7.067 4.756 5.440 262 HB2 CYS 37 2HB CYS 37 -6.282 4.741 8.351 263 HB3 CYS 37 1HB CYS 37 -5.374 3.826 7.140 264 HG CYS 37 HG CYS 37 -4.807 6.800 8.170 265 H VAL 38 H VAL 38 -7.580 2.700 4.797 266 HA VAL 38 HA VAL 38 -9.411 1.315 6.593 267 HB VAL 38 HB VAL 38 -9.437 1.813 3.663 268 HG11 VAL 38 1HG1 VAL 38 -10.742 -0.198 3.146 269 HG12 VAL 38 2HG1 VAL 38 -10.373 -0.843 4.751 270 HG13 VAL 38 3HG1 VAL 38 -9.081 -0.589 3.585 271 HG21 VAL 38 3HG2 VAL 38 -11.050 2.793 5.194 272 HG22 VAL 38 1HG2 VAL 38 -11.557 1.174 5.682 273 HG23 VAL 38 2HG2 VAL 38 -11.836 1.714 4.031 274 H ASN 39 H ASN 39 -9.183 -0.605 7.125 275 HA ASN 39 HA ASN 39 -6.745 -2.048 6.374 276 HB2 ASN 39 2HB ASN 39 -7.191 -3.360 8.481 277 HB3 ASN 39 1HB ASN 39 -6.688 -1.703 8.737 278 HD21 ASN 39 1HD2 ASN 39 -9.145 -3.983 9.152 279 HD22 ASN 39 2HD2 ASN 39 -10.247 -2.951 9.994 280 H VAL 40 H VAL 40 -6.995 -4.395 6.596 281 HA VAL 40 HA VAL 40 -8.310 -5.324 4.429 282 HB VAL 40 HB VAL 40 -6.625 -6.712 5.391 283 HG11 VAL 40 1HG1 VAL 40 -6.829 -6.037 7.699 284 HG12 VAL 40 2HG1 VAL 40 -6.818 -7.796 7.564 285 HG13 VAL 40 3HG1 VAL 40 -8.336 -6.940 7.847 286 HG21 VAL 40 3HG2 VAL 40 -8.376 -8.032 4.287 287 HG22 VAL 40 1HG2 VAL 40 -9.241 -8.151 5.817 288 HG23 VAL 40 2HG2 VAL 40 -7.665 -8.917 5.632 289 H GLU 41 H GLU 41 -9.656 -5.015 7.607 290 HA GLU 41 HA GLU 41 -11.923 -6.634 7.187 291 HB2 GLU 41 2HB GLU 41 -11.158 -4.551 9.153 292 HB3 GLU 41 1HB GLU 41 -12.670 -5.431 9.245 293 HG2 GLU 41 2HG GLU 41 -11.464 -7.499 9.545 294 HG3 GLU 41 1HG GLU 41 -9.929 -6.665 9.287 295 H GLN 42 H GLN 42 -11.578 -2.969 7.216 296 HA GLN 42 HA GLN 42 -14.262 -2.694 6.461 297 HB2 GLN 42 2HB GLN 42 -11.881 -0.897 6.149 298 HB3 GLN 42 1HB GLN 42 -13.532 -0.424 5.780 299 HG2 GLN 42 2HG GLN 42 -14.173 -0.439 7.990 300 HG3 GLN 42 1HG GLN 42 -12.852 -1.529 8.456 301 HE21 GLN 42 1HE2 GLN 42 -10.903 -0.743 8.756 302 HE22 GLN 42 2HE2 GLN 42 -10.597 0.936 8.841 303 H ALA 43 H ALA 43 -11.269 -3.033 4.666 304 HA ALA 43 HA ALA 43 -12.131 -2.181 2.172 305 HB1 ALA 43 1HB ALA 43 -10.234 -3.390 1.242 306 HB2 ALA 43 2HB ALA 43 -10.090 -4.321 2.730 307 HB3 ALA 43 3HB ALA 43 -9.772 -2.584 2.745 308 H GLN 44 H GLN 44 -12.365 -5.470 3.606 309 HA GLN 44 HA GLN 44 -13.176 -6.633 1.336 310 HB2 GLN 44 2HB GLN 44 -14.248 -8.139 2.947 311 HB3 GLN 44 1HB GLN 44 -12.480 -8.081 2.768 312 HG2 GLN 44 2HG GLN 44 -12.960 -6.478 4.883 313 HG3 GLN 44 1HG GLN 44 -14.329 -7.590 5.006 314 HE21 GLN 44 1HE2 GLN 44 -11.227 -8.325 3.578 315 HE22 GLN 44 2HE2 GLN 44 -10.794 -9.527 4.664 316 H GLU 45 H GLU 45 -14.834 -4.889 3.684 317 HA GLU 45 HA GLU 45 -17.560 -5.477 2.903 318 HB2 GLU 45 2HB GLU 45 -16.462 -3.128 4.402 319 HB3 GLU 45 1HB GLU 45 -18.154 -3.590 4.349 320 HG2 GLU 45 2HG GLU 45 -17.601 -5.729 5.493 321 HG3 GLU 45 1HG GLU 45 -15.932 -5.185 5.636 322 H VAL 46 H VAL 46 -15.264 -2.863 2.480 323 HA VAL 46 HA VAL 46 -16.827 -1.078 1.020 324 HB VAL 46 HB VAL 46 -13.812 -1.424 0.853 325 HG11 VAL 46 1HG1 VAL 46 -15.554 0.920 0.292 326 HG12 VAL 46 2HG1 VAL 46 -14.677 -0.043 -0.923 327 HG13 VAL 46 3HG1 VAL 46 -13.787 0.922 0.288 328 HG21 VAL 46 3HG2 VAL 46 -13.695 0.360 2.519 329 HG22 VAL 46 1HG2 VAL 46 -14.461 -1.099 3.131 330 HG23 VAL 46 2HG2 VAL 46 -15.453 0.303 2.699 331 H MET 47 H MET 47 -14.858 -3.785 -0.064 332 HA MET 47 HA MET 47 -15.123 -3.191 -2.822 333 HB2 MET 47 2HB MET 47 -14.068 -5.318 -3.288 334 HB3 MET 47 1HB MET 47 -13.314 -4.570 -1.888 335 HG2 MET 47 2HG MET 47 -14.531 -6.069 -0.411 336 HG3 MET 47 1HG MET 47 -15.275 -6.835 -1.813 337 HE1 MET 47 3HE MET 47 -13.669 -8.474 0.426 338 HE2 MET 47 1HE MET 47 -12.748 -9.581 -0.592 339 HE3 MET 47 2HE MET 47 -14.427 -9.208 -0.982 340 H ALA 48 H ALA 48 -17.404 -4.296 -0.696 341 HA ALA 48 HA ALA 48 -18.939 -5.722 -2.723 342 HB1 ALA 48 1HB ALA 48 -19.533 -5.129 0.181 343 HB2 ALA 48 2HB ALA 48 -18.929 -6.655 -0.462 344 HB3 ALA 48 3HB ALA 48 -20.547 -6.091 -0.887 345 H ALA 49 H ALA 49 -18.351 -2.632 -1.761 346 HA ALA 49 HA ALA 49 -21.010 -1.669 -2.535 347 HB1 ALA 49 1HB ALA 49 -18.855 -0.271 -0.950 348 HB2 ALA 49 2HB ALA 49 -20.321 -0.993 -0.287 349 HB3 ALA 49 3HB ALA 49 -20.431 0.406 -1.361 350 H ALA 50 H ALA 50 -17.479 -1.021 -2.927 351 HA ALA 50 HA ALA 50 -18.070 -0.015 -5.552 352 HB1 ALA 50 1HB ALA 50 -16.346 1.724 -5.159 353 HB2 ALA 50 2HB ALA 50 -16.269 1.245 -3.467 354 HB3 ALA 50 3HB ALA 50 -17.754 1.935 -4.126 355 HA PRO 51 HA PRO 51 -15.018 -3.350 -5.733 356 HB2 PRO 51 2HB PRO 51 -15.304 -3.893 -8.368 357 HB3 PRO 51 1HB PRO 51 -16.474 -4.419 -7.147 358 HG2 PRO 51 2HG PRO 51 -16.600 -2.054 -8.979 359 HG3 PRO 51 1HG PRO 51 -17.870 -3.229 -8.598 360 HD2 PRO 51 2HD PRO 51 -17.729 -0.794 -7.434 361 HD3 PRO 51 1HD PRO 51 -18.373 -2.215 -6.587 362 H LEU 52 H LEU 52 -13.818 -1.134 -5.404 363 HA LEU 52 HA LEU 52 -12.077 -0.691 -7.692 364 HB2 LEU 52 2HB LEU 52 -11.171 1.136 -6.016 365 HB3 LEU 52 1HB LEU 52 -12.490 1.505 -7.069 366 HG LEU 52 HG LEU 52 -13.877 0.650 -4.942 367 HD11 LEU 52 1HD1 LEU 52 -11.310 1.509 -3.673 368 HD12 LEU 52 2HD1 LEU 52 -12.023 -0.104 -3.655 369 HD13 LEU 52 3HD1 LEU 52 -12.836 1.227 -2.835 370 HD21 LEU 52 3HD2 LEU 52 -12.611 3.362 -5.222 371 HD22 LEU 52 1HD2 LEU 52 -13.863 2.974 -4.037 372 HD23 LEU 52 2HD2 LEU 52 -14.227 2.829 -5.739 373 H GLN 53 H GLN 53 -9.896 -0.862 -7.559 374 HA GLN 53 HA GLN 53 -9.022 -3.150 -6.138 375 HB2 GLN 53 2HB GLN 53 -8.529 -1.835 -8.486 376 HB3 GLN 53 1HB GLN 53 -7.112 -1.426 -7.556 377 HG2 GLN 53 2HG GLN 53 -8.100 -4.192 -8.043 378 HG3 GLN 53 1HG GLN 53 -6.897 -3.385 -9.050 379 HE21 GLN 53 1HE2 GLN 53 -5.762 -2.085 -6.717 380 HE22 GLN 53 2HE2 GLN 53 -4.821 -3.258 -5.891 381 H TYR 54 H TYR 54 -7.053 -3.115 -4.703 382 HA TYR 54 HA TYR 54 -6.952 -0.612 -3.160 383 HB2 TYR 54 2HB TYR 54 -6.825 -3.435 -2.102 384 HB3 TYR 54 1HB TYR 54 -6.689 -1.980 -1.127 385 HD1 TYR 54 2HD TYR 54 -8.748 -0.301 -1.412 386 HD2 TYR 54 1HD TYR 54 -8.880 -4.465 -2.272 387 HE1 TYR 54 2HE TYR 54 -11.160 -0.258 -1.176 388 HE2 TYR 54 1HE TYR 54 -11.318 -4.425 -2.045 389 HH TYR 54 HH TYR 54 -13.062 -1.560 -2.028 390 H VAL 55 H VAL 55 -5.020 -0.173 -2.014 391 HA VAL 55 HA VAL 55 -2.629 -1.596 -2.869 392 HB VAL 55 HB VAL 55 -2.950 0.660 -4.161 393 HG11 VAL 55 1HG1 VAL 55 -2.484 1.815 -1.437 394 HG12 VAL 55 2HG1 VAL 55 -3.951 1.938 -2.407 395 HG13 VAL 55 3HG1 VAL 55 -2.457 2.713 -2.956 396 HG21 VAL 55 3HG2 VAL 55 -0.521 0.429 -2.395 397 HG22 VAL 55 1HG2 VAL 55 -0.642 1.380 -3.878 398 HG23 VAL 55 2HG2 VAL 55 -0.765 -0.383 -3.932 399 H GLY 56 H GLY 56 -0.893 -1.119 -1.216 400 HA2 GLY 56 2HA GLY 56 -1.961 -0.213 1.446 401 HA3 GLY 56 1HA GLY 56 -1.148 -1.782 1.198 402 H VAL 57 H VAL 57 -0.508 0.781 2.796 403 HA VAL 57 HA VAL 57 2.292 0.865 1.808 404 HB VAL 57 HB VAL 57 0.842 3.107 3.271 405 HG11 VAL 57 1HG1 VAL 57 2.756 4.501 2.674 406 HG12 VAL 57 2HG1 VAL 57 3.544 3.101 1.949 407 HG13 VAL 57 3HG1 VAL 57 3.214 3.129 3.682 408 HG21 VAL 57 3HG2 VAL 57 1.489 2.968 0.317 409 HG22 VAL 57 1HG2 VAL 57 0.843 4.374 1.161 410 HG23 VAL 57 2HG2 VAL 57 -0.115 2.900 1.036 411 H PHE 58 H PHE 58 3.449 -0.402 3.318 412 HA PHE 58 HA PHE 58 2.868 0.168 6.107 413 HB2 PHE 58 2HB PHE 58 1.207 -1.602 5.103 414 HB3 PHE 58 1HB PHE 58 2.563 -2.696 5.300 415 HD1 PHE 58 1HD PHE 58 3.436 -3.153 7.603 416 HD2 PHE 58 2HD PHE 58 -0.087 -0.876 6.932 417 HE1 PHE 58 1HE PHE 58 2.764 -3.512 9.939 418 HE2 PHE 58 2HE PHE 58 -0.763 -1.220 9.269 419 HZ PHE 58 HZ PHE 58 0.665 -2.540 10.780 420 H ARG 59 H ARG 59 4.536 -0.214 7.389 421 HA ARG 59 HA ARG 59 6.771 -1.772 6.354 422 HB2 ARG 59 2HB ARG 59 8.051 -0.685 8.329 423 HB3 ARG 59 1HB ARG 59 7.653 0.312 6.941 424 HG2 ARG 59 2HG ARG 59 5.725 1.210 8.173 425 HG3 ARG 59 1HG ARG 59 6.232 0.281 9.586 426 HD2 ARG 59 2HD ARG 59 8.202 1.551 9.828 427 HD3 ARG 59 1HD ARG 59 8.054 2.233 8.204 428 HE ARG 59 HE ARG 59 6.001 2.764 10.182 429 HH11 ARG 59 1HH1 ARG 59 8.904 4.057 8.545 430 HH12 ARG 59 2HH1 ARG 59 8.335 5.632 8.460 431 HH21 ARG 59 1HH2 ARG 59 5.251 5.012 10.131 432 HH22 ARG 59 2HH2 ARG 59 6.192 6.210 9.382 433 H ASN 60 H ASN 60 6.369 -3.797 6.810 434 HA ASN 60 HA ASN 60 5.000 -4.373 9.227 435 HB2 ASN 60 2HB ASN 60 4.163 -4.882 6.787 436 HB3 ASN 60 1HB ASN 60 5.321 -6.193 6.900 437 HD21 ASN 60 1HD2 ASN 60 2.414 -6.138 6.747 438 HD22 ASN 60 2HD2 ASN 60 1.824 -7.035 8.100 439 H HIS 61 H HIS 61 5.687 -5.942 10.194 440 HA HIS 61 HA HIS 61 8.548 -6.508 10.323 441 HB2 HIS 61 2HB HIS 61 6.387 -7.722 12.068 442 HB3 HIS 61 1HB HIS 61 8.100 -7.588 12.438 443 HD1 HIS 61 1HD HIS 61 8.820 -5.461 13.653 444 HD2 HIS 61 2HD HIS 61 4.935 -5.289 12.220 445 HE1 HIS 61 1HE HIS 61 7.802 -3.354 14.601 446 H ASP 62 H ASP 62 5.516 -8.323 9.950 447 HA ASP 62 HA ASP 62 7.035 -10.729 9.174 448 HB2 ASP 62 2HB ASP 62 5.237 -10.802 10.996 449 HB3 ASP 62 1HB ASP 62 4.076 -10.536 9.703 450 H ILE 63 H ILE 63 7.116 -11.352 7.213 451 HA ILE 63 HA ILE 63 5.963 -9.869 5.076 452 HB ILE 63 HB ILE 63 8.097 -10.960 4.724 453 HG12 ILE 63 2HG1 ILE 63 6.136 -12.523 3.051 454 HG13 ILE 63 1HG1 ILE 63 6.333 -10.788 2.865 455 HG21 ILE 63 1HG2 ILE 63 6.646 -13.545 5.228 456 HG22 ILE 63 2HG2 ILE 63 7.855 -12.807 6.270 457 HG23 ILE 63 3HG2 ILE 63 8.320 -13.414 4.672 458 HD11 ILE 63 3HD1 ILE 63 7.626 -12.080 1.249 459 HD12 ILE 63 1HD1 ILE 63 8.466 -12.880 2.577 460 HD13 ILE 63 2HD1 ILE 63 8.668 -11.138 2.304 461 H ALA 64 H ALA 64 4.962 -12.686 6.848 462 HA ALA 64 HA ALA 64 3.168 -13.634 4.827 463 HB1 ALA 64 1HB ALA 64 4.092 -15.132 6.534 464 HB2 ALA 64 2HB ALA 64 2.328 -15.142 6.556 465 HB3 ALA 64 3HB ALA 64 3.224 -14.238 7.780 466 H ASP 65 H ASP 65 3.093 -11.165 7.082 467 HA ASP 65 HA ASP 65 0.199 -11.115 7.342 468 HB2 ASP 65 2HB ASP 65 1.574 -10.424 9.263 469 HB3 ASP 65 1HB ASP 65 2.261 -9.123 8.304 470 H VAL 66 H VAL 66 2.708 -9.682 5.480 471 HA VAL 66 HA VAL 66 1.082 -7.660 4.241 472 HB VAL 66 HB VAL 66 3.642 -8.902 3.172 473 HG11 VAL 66 1HG1 VAL 66 3.879 -6.806 1.906 474 HG12 VAL 66 2HG1 VAL 66 2.333 -6.254 2.544 475 HG13 VAL 66 3HG1 VAL 66 2.394 -7.663 1.490 476 HG21 VAL 66 3HG2 VAL 66 4.055 -7.989 5.385 477 HG22 VAL 66 1HG2 VAL 66 3.318 -6.462 4.906 478 HG23 VAL 66 2HG2 VAL 66 4.823 -6.986 4.152 479 H VAL 67 H VAL 67 2.236 -10.905 3.505 480 HA VAL 67 HA VAL 67 1.124 -11.198 0.937 481 HB VAL 67 HB VAL 67 1.475 -13.402 2.997 482 HG11 VAL 67 1HG1 VAL 67 0.086 -14.100 1.130 483 HG12 VAL 67 2HG1 VAL 67 1.668 -14.883 1.037 484 HG13 VAL 67 3HG1 VAL 67 1.298 -13.520 -0.013 485 HG21 VAL 67 3HG2 VAL 67 3.643 -13.816 1.975 486 HG22 VAL 67 1HG2 VAL 67 3.559 -12.184 2.632 487 HG23 VAL 67 2HG2 VAL 67 3.404 -12.447 0.892 488 H ASP 68 H ASP 68 -0.152 -11.858 4.131 489 HA ASP 68 HA ASP 68 -2.615 -12.941 3.596 490 HB2 ASP 68 2HB ASP 68 -1.864 -12.723 5.861 491 HB3 ASP 68 1HB ASP 68 -1.767 -10.976 5.723 492 H LYS 69 H LYS 69 -1.873 -9.493 3.873 493 HA LYS 69 HA LYS 69 -4.510 -8.587 3.197 494 HB2 LYS 69 2HB LYS 69 -1.927 -7.069 2.862 495 HB3 LYS 69 1HB LYS 69 -3.528 -6.375 3.090 496 HG2 LYS 69 2HG LYS 69 -1.940 -7.933 5.126 497 HG3 LYS 69 1HG LYS 69 -2.130 -6.184 5.085 498 HD2 LYS 69 2HD LYS 69 -4.475 -6.379 5.557 499 HD3 LYS 69 1HD LYS 69 -4.403 -8.140 5.385 500 HE2 LYS 69 2HE LYS 69 -2.924 -6.533 7.469 501 HE3 LYS 69 1HE LYS 69 -4.423 -7.418 7.750 502 HZ1 LYS 69 3HZ LYS 69 -2.457 -8.727 8.434 503 HZ2 LYS 69 1HZ LYS 69 -1.852 -8.641 6.875 504 HZ3 LYS 69 2HZ LYS 69 -3.279 -9.470 7.167 505 H ALA 70 H ALA 70 -1.519 -8.917 1.347 506 HA ALA 70 HA ALA 70 -2.308 -7.845 -1.108 507 HB1 ALA 70 1HB ALA 70 -0.419 -10.139 -0.600 508 HB2 ALA 70 2HB ALA 70 -0.001 -8.427 -0.532 509 HB3 ALA 70 3HB ALA 70 -0.499 -9.154 -2.060 510 H LYS 71 H LYS 71 -2.779 -10.991 0.263 511 HA LYS 71 HA LYS 71 -3.940 -12.138 -2.097 512 HB2 LYS 71 2HB LYS 71 -2.615 -13.528 -0.711 513 HB3 LYS 71 1HB LYS 71 -3.548 -13.086 0.709 514 HG2 LYS 71 2HG LYS 71 -5.452 -14.247 -0.126 515 HG3 LYS 71 1HG LYS 71 -4.623 -14.611 -1.634 516 HD2 LYS 71 2HD LYS 71 -4.548 -16.551 -0.171 517 HD3 LYS 71 1HD LYS 71 -2.929 -15.865 -0.412 518 HE2 LYS 71 2HE LYS 71 -3.162 -16.497 1.899 519 HE3 LYS 71 1HE LYS 71 -3.146 -14.747 1.806 520 HZ1 LYS 71 3HZ LYS 71 -5.543 -16.464 2.126 521 HZ2 LYS 71 1HZ LYS 71 -5.593 -14.786 2.028 522 HZ3 LYS 71 2HZ LYS 71 -4.825 -15.547 3.322 523 H VAL 72 H VAL 72 -5.138 -11.565 1.187 524 HA VAL 72 HA VAL 72 -7.790 -12.270 0.868 525 HB VAL 72 HB VAL 72 -6.831 -10.013 2.654 526 HG11 VAL 72 1HG1 VAL 72 -9.249 -9.939 2.337 527 HG12 VAL 72 2HG1 VAL 72 -8.850 -10.448 3.979 528 HG13 VAL 72 3HG1 VAL 72 -9.371 -11.637 2.788 529 HG21 VAL 72 3HG2 VAL 72 -7.212 -12.951 3.228 530 HG22 VAL 72 1HG2 VAL 72 -6.848 -11.693 4.419 531 HG23 VAL 72 2HG2 VAL 72 -5.685 -12.045 3.156 532 H LEU 73 H LEU 73 -6.647 -8.874 0.574 533 HA LEU 73 HA LEU 73 -9.275 -8.266 -0.492 534 HB2 LEU 73 2HB LEU 73 -6.922 -6.384 -0.255 535 HB3 LEU 73 1HB LEU 73 -8.556 -5.936 -0.670 536 HG LEU 73 HG LEU 73 -8.332 -5.263 1.507 537 HD11 LEU 73 1HD1 LEU 73 -9.783 -6.702 2.874 538 HD12 LEU 73 2HD1 LEU 73 -9.631 -7.972 1.671 539 HD13 LEU 73 3HD1 LEU 73 -10.403 -6.454 1.249 540 HD21 LEU 73 3HD2 LEU 73 -6.997 -7.882 2.159 541 HD22 LEU 73 1HD2 LEU 73 -7.314 -6.588 3.310 542 HD23 LEU 73 2HD2 LEU 73 -6.194 -6.325 1.976 543 H SER 74 H SER 74 -6.350 -9.322 -1.662 544 HA SER 74 HA SER 74 -5.219 -9.336 -3.542 545 HB2 SER 74 2HB SER 74 -7.309 -10.367 -4.435 546 HB3 SER 74 1HB SER 74 -7.895 -8.766 -4.877 547 HG SER 74 HG SER 74 -6.817 -8.906 -6.598 548 H LEU 75 H LEU 75 -3.951 -7.688 -3.111 549 HA LEU 75 HA LEU 75 -4.693 -4.965 -3.693 550 HB2 LEU 75 2HB LEU 75 -2.033 -6.114 -2.886 551 HB3 LEU 75 1HB LEU 75 -2.475 -4.421 -2.887 552 HG LEU 75 HG LEU 75 -3.660 -6.544 -1.109 553 HD11 LEU 75 1HD1 LEU 75 -2.463 -5.433 0.673 554 HD12 LEU 75 2HD1 LEU 75 -1.754 -4.299 -0.488 555 HD13 LEU 75 3HD1 LEU 75 -1.369 -6.024 -0.575 556 HD21 LEU 75 3HD2 LEU 75 -5.260 -4.857 -1.614 557 HD22 LEU 75 1HD2 LEU 75 -4.124 -3.568 -1.195 558 HD23 LEU 75 2HD2 LEU 75 -4.714 -4.673 0.056 559 H ALA 76 H ALA 76 -2.824 -3.732 -4.778 560 HA ALA 76 HA ALA 76 -2.242 -5.048 -7.391 561 HB1 ALA 76 1HB ALA 76 -2.288 -2.853 -8.469 562 HB2 ALA 76 2HB ALA 76 -2.663 -2.101 -6.915 563 HB3 ALA 76 3HB ALA 76 -3.831 -3.177 -7.668 564 H ALA 77 H ALA 77 -1.328 -2.724 -5.012 565 HA ALA 77 HA ALA 77 1.405 -3.535 -5.398 566 HB1 ALA 77 1HB ALA 77 2.170 -1.234 -5.392 567 HB2 ALA 77 2HB ALA 77 0.506 -0.673 -5.448 568 HB3 ALA 77 3HB ALA 77 1.173 -1.596 -6.795 569 H VAL 78 H VAL 78 2.678 -2.784 -3.692 570 HA VAL 78 HA VAL 78 1.330 -1.823 -1.284 571 HB VAL 78 HB VAL 78 1.346 -4.237 -0.992 572 HG11 VAL 78 1HG1 VAL 78 4.312 -3.952 -1.481 573 HG12 VAL 78 2HG1 VAL 78 3.170 -4.880 -2.443 574 HG13 VAL 78 3HG1 VAL 78 3.601 -5.427 -0.812 575 HG21 VAL 78 3HG2 VAL 78 2.615 -4.413 1.131 576 HG22 VAL 78 1HG2 VAL 78 1.676 -2.919 1.020 577 HG23 VAL 78 2HG2 VAL 78 3.416 -2.889 0.741 578 H GLN 79 H GLN 79 2.581 -0.403 -0.151 579 HA GLN 79 HA GLN 79 5.110 0.203 -1.316 580 HB2 GLN 79 2HB GLN 79 3.060 1.645 0.234 581 HB3 GLN 79 1HB GLN 79 4.713 2.217 0.248 582 HG2 GLN 79 2HG GLN 79 3.459 3.405 -1.410 583 HG3 GLN 79 1HG GLN 79 4.583 2.331 -2.237 584 HE21 GLN 79 1HE2 GLN 79 3.719 0.399 -3.246 585 HE22 GLN 79 2HE2 GLN 79 2.058 0.374 -3.701 586 H LEU 80 H LEU 80 6.735 -0.467 -0.403 587 HA LEU 80 HA LEU 80 6.645 -1.258 2.403 588 HB2 LEU 80 2HB LEU 80 8.770 -1.715 0.326 589 HB3 LEU 80 1HB LEU 80 8.735 -2.389 1.939 590 HG LEU 80 HG LEU 80 6.773 -3.022 -0.257 591 HD11 LEU 80 1HD1 LEU 80 9.044 -4.636 0.886 592 HD12 LEU 80 2HD1 LEU 80 9.016 -3.852 -0.691 593 HD13 LEU 80 3HD1 LEU 80 7.897 -5.168 -0.348 594 HD21 LEU 80 3HD2 LEU 80 7.125 -4.243 2.488 595 HD22 LEU 80 1HD2 LEU 80 6.004 -4.796 1.244 596 HD23 LEU 80 2HD2 LEU 80 5.786 -3.212 1.984 597 H HIS 81 H HIS 81 7.557 0.023 3.846 598 HA HIS 81 HA HIS 81 9.245 2.187 2.956 599 HB2 HIS 81 2HB HIS 81 8.744 1.296 5.825 600 HB3 HIS 81 1HB HIS 81 9.468 2.797 5.314 601 HD1 HIS 81 1HD HIS 81 7.891 4.802 5.018 602 HD2 HIS 81 2HD HIS 81 5.882 1.166 5.222 603 HE1 HIS 81 1HE HIS 81 5.472 5.359 5.170 604 H GLY 82 H GLY 82 11.109 1.548 2.266 605 HA2 GLY 82 2HA GLY 82 12.184 -0.996 2.713 606 HA3 GLY 82 1HA GLY 82 13.034 0.319 1.916 607 H ASN 83 H ASN 83 12.376 1.666 4.596 608 HA ASN 83 HA ASN 83 14.901 1.670 5.751 609 HB2 ASN 83 2HB ASN 83 12.321 2.311 7.172 610 HB3 ASN 83 1HB ASN 83 13.924 2.944 7.540 611 HD21 ASN 83 1HD2 ASN 83 11.545 4.425 7.019 612 HD22 ASN 83 2HD2 ASN 83 11.814 5.356 5.588 613 H GLU 84 H GLU 84 12.225 -0.519 6.194 614 HA GLU 84 HA GLU 84 12.700 -1.373 8.812 615 HB2 GLU 84 2HB GLU 84 10.638 -1.833 7.504 616 HB3 GLU 84 1HB GLU 84 11.537 -2.994 6.541 617 HG2 GLU 84 2HG GLU 84 10.275 -4.196 8.163 618 HG3 GLU 84 1HG GLU 84 11.974 -4.282 8.625 619 H GLU 85 H GLU 85 13.863 -2.809 5.748 620 HA GLU 85 HA GLU 85 16.405 -3.501 6.716 621 HB2 GLU 85 2HB GLU 85 14.654 -5.202 7.806 622 HB3 GLU 85 1HB GLU 85 14.779 -5.958 6.227 623 HG2 GLU 85 2HG GLU 85 17.140 -5.323 7.932 624 HG3 GLU 85 1HG GLU 85 16.273 -6.850 8.025 625 H GLN 86 H GLN 86 17.651 -4.559 4.896 626 HA GLN 86 HA GLN 86 16.794 -3.394 2.449 627 HB2 GLN 86 2HB GLN 86 19.188 -4.952 3.342 628 HB3 GLN 86 1HB GLN 86 19.005 -4.295 1.734 629 HG2 GLN 86 2HG GLN 86 18.964 -2.019 2.695 630 HG3 GLN 86 1HG GLN 86 19.094 -2.714 4.307 631 HE21 GLN 86 1HE2 GLN 86 21.018 -3.594 4.942 632 HE22 GLN 86 2HE2 GLN 86 22.515 -3.303 4.139 633 H LEU 87 H LEU 87 17.380 -6.542 3.751 634 HA LEU 87 HA LEU 87 17.084 -7.892 1.249 635 HB2 LEU 87 2HB LEU 87 17.321 -9.002 4.011 636 HB3 LEU 87 1HB LEU 87 17.514 -9.882 2.500 637 HG LEU 87 HG LEU 87 19.196 -7.537 3.197 638 HD11 LEU 87 1HD1 LEU 87 19.760 -10.458 3.773 639 HD12 LEU 87 2HD1 LEU 87 19.495 -9.166 4.955 640 HD13 LEU 87 3HD1 LEU 87 20.933 -9.141 3.938 641 HD21 LEU 87 3HD2 LEU 87 19.199 -8.130 0.882 642 HD22 LEU 87 1HD2 LEU 87 19.572 -9.814 1.268 643 HD23 LEU 87 2HD2 LEU 87 20.757 -8.544 1.592 644 H TYR 88 H TYR 88 15.218 -7.060 3.961 645 HA TYR 88 HA TYR 88 13.147 -8.895 3.886 646 HB2 TYR 88 2HB TYR 88 13.307 -7.325 5.723 647 HB3 TYR 88 1HB TYR 88 13.099 -5.958 4.635 648 HD1 TYR 88 1HD TYR 88 11.214 -9.156 5.164 649 HD2 TYR 88 2HD TYR 88 11.102 -4.901 5.074 650 HE1 TYR 88 1HE TYR 88 8.804 -9.225 5.540 651 HE2 TYR 88 2HE TYR 88 8.710 -4.941 5.474 652 HH TYR 88 HH TYR 88 7.094 -7.683 6.531 653 H ILE 89 H ILE 89 13.549 -5.899 2.072 654 HA ILE 89 HA ILE 89 11.072 -5.905 0.692 655 HB ILE 89 HB ILE 89 13.776 -4.839 -0.108 656 HG12 ILE 89 2HG1 ILE 89 11.927 -2.765 0.513 657 HG13 ILE 89 1HG1 ILE 89 11.961 -3.931 1.846 658 HG21 ILE 89 1HG2 ILE 89 12.367 -5.052 -2.100 659 HG22 ILE 89 2HG2 ILE 89 12.568 -3.341 -1.705 660 HG23 ILE 89 3HG2 ILE 89 11.065 -4.172 -1.310 661 HD11 ILE 89 3HD1 ILE 89 14.280 -2.519 0.595 662 HD12 ILE 89 1HD1 ILE 89 14.396 -3.730 1.862 663 HD13 ILE 89 2HD1 ILE 89 13.588 -2.206 2.189 664 H ASP 90 H ASP 90 14.172 -7.341 0.078 665 HA ASP 90 HA ASP 90 13.739 -8.187 -2.579 666 HB2 ASP 90 2HB ASP 90 15.912 -7.869 -1.362 667 HB3 ASP 90 1HB ASP 90 15.589 -9.369 -0.528 668 H THR 91 H THR 91 12.638 -9.264 0.352 669 HA THR 91 HA THR 91 12.298 -12.050 -0.340 670 HB THR 91 HB THR 91 11.703 -10.490 2.180 671 HG1 THR 91 1HG THR 91 13.895 -10.626 1.855 672 HG21 THR 91 3HG2 THR 91 10.323 -12.366 1.920 673 HG22 THR 91 1HG2 THR 91 11.460 -12.685 3.239 674 HG23 THR 91 2HG2 THR 91 11.701 -13.455 1.646 675 H LEU 92 H LEU 92 10.341 -9.241 0.656 676 HA LEU 92 HA LEU 92 7.851 -10.093 0.434 677 HB2 LEU 92 2HB LEU 92 8.924 -7.471 -0.500 678 HB3 LEU 92 1HB LEU 92 7.248 -7.854 -0.796 679 HG LEU 92 HG LEU 92 7.373 -6.492 1.149 680 HD11 LEU 92 1HD1 LEU 92 5.759 -8.306 1.211 681 HD12 LEU 92 2HD1 LEU 92 6.385 -7.874 2.819 682 HD13 LEU 92 3HD1 LEU 92 7.020 -9.292 1.971 683 HD21 LEU 92 3HD2 LEU 92 9.253 -8.518 2.231 684 HD22 LEU 92 1HD2 LEU 92 8.607 -7.142 3.117 685 HD23 LEU 92 2HD2 LEU 92 9.671 -6.875 1.731 686 H ARG 93 H ARG 93 9.718 -9.156 -2.411 687 HA ARG 93 HA ARG 93 7.472 -9.655 -4.122 688 HB2 ARG 93 2HB ARG 93 8.993 -9.775 -6.029 689 HB3 ARG 93 1HB ARG 93 8.925 -8.210 -5.194 690 HG2 ARG 93 2HG ARG 93 11.107 -10.187 -4.634 691 HG3 ARG 93 1HG ARG 93 11.162 -9.243 -6.127 692 HD2 ARG 93 2HD ARG 93 10.925 -7.194 -4.746 693 HD3 ARG 93 1HD ARG 93 11.075 -8.201 -3.310 694 HE ARG 93 HE ARG 93 13.266 -8.912 -4.426 695 HH11 ARG 93 1HH1 ARG 93 11.921 -5.653 -4.625 696 HH12 ARG 93 2HH1 ARG 93 13.422 -4.854 -4.703 697 HH21 ARG 93 1HH2 ARG 93 15.372 -7.816 -4.403 698 HH22 ARG 93 2HH2 ARG 93 15.439 -6.130 -4.543 699 H GLU 94 H GLU 94 9.467 -11.725 -2.737 700 HA GLU 94 HA GLU 94 9.238 -13.856 -4.724 701 HB2 GLU 94 2HB GLU 94 10.009 -14.205 -1.839 702 HB3 GLU 94 1HB GLU 94 10.336 -15.299 -3.173 703 HG2 GLU 94 2HG GLU 94 11.811 -13.554 -4.140 704 HG3 GLU 94 1HG GLU 94 11.537 -12.611 -2.672 705 H ALA 95 H ALA 95 7.718 -12.867 -1.745 706 HA ALA 95 HA ALA 95 6.029 -15.209 -1.691 707 HB1 ALA 95 1HB ALA 95 5.132 -14.347 0.377 708 HB2 ALA 95 2HB ALA 95 5.946 -12.808 0.107 709 HB3 ALA 95 3HB ALA 95 6.895 -14.266 0.411 710 H LEU 96 H LEU 96 5.837 -12.004 -2.407 711 HA LEU 96 HA LEU 96 2.969 -11.984 -2.891 712 HB2 LEU 96 2HB LEU 96 5.089 -9.885 -3.115 713 HB3 LEU 96 1HB LEU 96 3.531 -9.625 -3.858 714 HG LEU 96 HG LEU 96 2.467 -9.856 -1.615 715 HD11 LEU 96 1HD1 LEU 96 4.166 -11.218 -0.524 716 HD12 LEU 96 2HD1 LEU 96 3.804 -9.755 0.397 717 HD13 LEU 96 3HD1 LEU 96 5.282 -9.855 -0.562 718 HD21 LEU 96 3HD2 LEU 96 3.205 -7.699 -0.767 719 HD22 LEU 96 1HD2 LEU 96 2.978 -7.678 -2.515 720 HD23 LEU 96 2HD2 LEU 96 4.605 -7.761 -1.838 721 HA PRO 97 HA PRO 97 3.483 -13.563 -7.051 722 HB2 PRO 97 2HB PRO 97 0.858 -13.278 -7.757 723 HB3 PRO 97 1HB PRO 97 1.442 -14.642 -6.802 724 HG2 PRO 97 2HG PRO 97 0.137 -12.122 -5.924 725 HG3 PRO 97 1HG PRO 97 -0.177 -13.786 -5.386 726 HD2 PRO 97 2HD PRO 97 1.280 -12.107 -3.911 727 HD3 PRO 97 1HD PRO 97 1.721 -13.825 -4.020 728 H ALA 98 H ALA 98 2.959 -12.728 -9.223 729 HA ALA 98 HA ALA 98 3.768 -10.006 -9.426 730 HB1 ALA 98 1HB ALA 98 3.755 -10.358 -11.830 731 HB2 ALA 98 2HB ALA 98 2.848 -11.854 -11.622 732 HB3 ALA 98 3HB ALA 98 4.496 -11.734 -11.008 733 H HIS 99 H HIS 99 0.854 -11.023 -8.672 734 HA HIS 99 HA HIS 99 -0.753 -9.302 -10.378 735 HB2 HIS 99 2HB HIS 99 -1.524 -10.889 -7.914 736 HB3 HIS 99 1HB HIS 99 -2.668 -10.126 -9.027 737 HD1 HIS 99 1HD HIS 99 -2.159 -13.314 -8.211 738 HD2 HIS 99 2HD HIS 99 -1.339 -11.272 -11.689 739 HE1 HIS 99 1HE HIS 99 -1.959 -15.090 -9.984 740 H VAL 100 H VAL 100 0.796 -9.307 -7.187 741 HA VAL 100 HA VAL 100 -0.135 -6.651 -6.743 742 HB VAL 100 HB VAL 100 -0.888 -8.045 -4.940 743 HG11 VAL 100 1HG1 VAL 100 1.892 -9.163 -4.911 744 HG12 VAL 100 2HG1 VAL 100 0.430 -10.031 -5.382 745 HG13 VAL 100 3HG1 VAL 100 0.668 -9.534 -3.698 746 HG21 VAL 100 3HG2 VAL 100 0.191 -5.992 -4.341 747 HG22 VAL 100 1HG2 VAL 100 1.712 -6.887 -4.289 748 HG23 VAL 100 2HG2 VAL 100 0.448 -7.258 -3.080 749 H ALA 101 H ALA 101 1.413 -5.153 -6.605 750 HA ALA 101 HA ALA 101 4.141 -6.030 -7.198 751 HB1 ALA 101 1HB ALA 101 2.728 -3.479 -7.958 752 HB2 ALA 101 2HB ALA 101 3.080 -4.830 -9.037 753 HB3 ALA 101 3HB ALA 101 4.399 -3.883 -8.344 754 H ILE 102 H ILE 102 5.587 -3.967 -6.658 755 HA ILE 102 HA ILE 102 4.995 -3.192 -3.902 756 HB ILE 102 HB ILE 102 7.582 -4.120 -5.126 757 HG12 ILE 102 2HG1 ILE 102 6.132 -5.169 -2.673 758 HG13 ILE 102 1HG1 ILE 102 6.072 -5.922 -4.263 759 HG21 ILE 102 1HG2 ILE 102 8.101 -2.254 -3.986 760 HG22 ILE 102 2HG2 ILE 102 8.595 -3.559 -2.866 761 HG23 ILE 102 3HG2 ILE 102 7.081 -2.620 -2.615 762 HD11 ILE 102 3HD1 ILE 102 8.497 -6.292 -4.155 763 HD12 ILE 102 1HD1 ILE 102 7.662 -7.084 -2.823 764 HD13 ILE 102 2HD1 ILE 102 8.527 -5.577 -2.549 765 H TRP 103 H TRP 103 5.292 -1.049 -3.569 766 HA TRP 103 HA TRP 103 6.958 0.335 -5.558 767 HB2 TRP 103 2HB TRP 103 4.628 1.649 -4.100 768 HB3 TRP 103 1HB TRP 103 5.695 2.416 -5.261 769 HD1 TRP 103 HD TRP 103 5.359 -0.321 -7.228 770 HE1 TRP 103 1HE TRP 103 3.270 -0.395 -8.675 771 HE3 TRP 103 3HE TRP 103 2.611 3.064 -4.719 772 HZ2 TRP 103 2HZ TRP 103 0.718 0.825 -8.721 773 HZ3 TRP 103 3HZ TRP 103 0.332 3.606 -5.515 774 HH2 TRP 103 HH TRP 103 -0.583 2.510 -7.471 775 H LYS 104 H LYS 104 8.300 1.932 -4.691 776 HA LYS 104 HA LYS 104 8.853 1.308 -1.897 777 HB2 LYS 104 2HB LYS 104 10.538 1.154 -4.004 778 HB3 LYS 104 1HB LYS 104 10.828 2.815 -3.528 779 HG2 LYS 104 2HG LYS 104 11.092 0.433 -1.683 780 HG3 LYS 104 1HG LYS 104 12.420 1.183 -2.558 781 HD2 LYS 104 2HD LYS 104 10.683 2.672 -0.590 782 HD3 LYS 104 1HD LYS 104 12.175 1.851 -0.133 783 HE2 LYS 104 2HE LYS 104 13.408 3.247 -1.744 784 HE3 LYS 104 1HE LYS 104 11.913 4.088 -2.147 785 HZ1 LYS 104 3HZ LYS 104 13.420 5.182 -0.507 786 HZ2 LYS 104 1HZ LYS 104 13.041 3.991 0.583 787 HZ3 LYS 104 2HZ LYS 104 11.825 5.021 0.050 788 H ALA 105 H ALA 105 8.203 2.695 -0.552 789 HA ALA 105 HA ALA 105 7.278 5.298 -1.191 790 HB1 ALA 105 1HB ALA 105 6.363 4.030 0.702 791 HB2 ALA 105 2HB ALA 105 7.013 5.579 1.242 792 HB3 ALA 105 3HB ALA 105 7.930 4.098 1.510 793 H LEU 106 H LEU 106 8.653 6.757 -1.892 794 HA LEU 106 HA LEU 106 11.321 6.909 -0.832 795 HB2 LEU 106 2HB LEU 106 10.897 6.974 -3.258 796 HB3 LEU 106 1HB LEU 106 9.912 8.398 -3.046 797 HG LEU 106 HG LEU 106 11.929 9.663 -2.329 798 HD11 LEU 106 1HD1 LEU 106 14.138 8.672 -2.664 799 HD12 LEU 106 2HD1 LEU 106 13.379 7.124 -3.040 800 HD13 LEU 106 3HD1 LEU 106 13.223 7.815 -1.424 801 HD21 LEU 106 3HD2 LEU 106 11.241 9.707 -4.670 802 HD22 LEU 106 1HD2 LEU 106 12.182 8.248 -4.980 803 HD23 LEU 106 2HD2 LEU 106 12.996 9.745 -4.535 804 H SER 107 H SER 107 11.436 7.956 0.988 805 HA SER 107 HA SER 107 9.588 9.961 1.800 806 HB2 SER 107 2HB SER 107 10.597 8.368 3.392 807 HB3 SER 107 1HB SER 107 12.199 8.971 2.988 808 HG SER 107 HG SER 107 10.107 10.386 4.315 809 H VAL 108 H VAL 108 10.036 12.189 1.928 810 HA VAL 108 HA VAL 108 11.965 13.055 0.020 811 HB VAL 108 HB VAL 108 11.183 15.391 0.613 812 HG11 VAL 108 1HG1 VAL 108 9.056 13.390 -0.152 813 HG12 VAL 108 2HG1 VAL 108 10.203 14.159 -1.247 814 HG13 VAL 108 3HG1 VAL 108 8.970 15.128 -0.439 815 HG21 VAL 108 3HG2 VAL 108 10.457 14.963 2.922 816 HG22 VAL 108 1HG2 VAL 108 9.177 13.903 2.328 817 HG23 VAL 108 2HG2 VAL 108 9.137 15.628 1.959 818 H GLY 109 H GLY 109 13.956 13.329 0.395 819 HA2 GLY 109 2HA GLY 109 14.778 13.951 3.131 820 HA3 GLY 109 1HA GLY 109 15.653 12.831 2.093 821 H GLU 110 H GLU 110 17.188 14.571 3.015 822 HA GLU 110 HA GLU 110 17.264 17.088 1.665 823 HB2 GLU 110 2HB GLU 110 19.470 15.660 3.131 824 HB3 GLU 110 1HB GLU 110 19.408 17.372 2.743 825 HG2 GLU 110 2HG GLU 110 17.379 17.558 4.159 826 HG3 GLU 110 1HG GLU 110 17.618 15.880 4.627 827 H THR 111 H THR 111 18.468 13.926 1.087 828 HA THR 111 HA THR 111 19.763 14.882 -1.342 829 HB THR 111 HB THR 111 21.217 12.791 -1.143 830 HG1 THR 111 1HG THR 111 19.970 12.770 1.401 831 HG21 THR 111 3HG2 THR 111 22.814 13.835 0.413 832 HG22 THR 111 1HG2 THR 111 21.545 14.925 0.970 833 HG23 THR 111 2HG2 THR 111 22.119 15.018 -0.695 834 H LEU 112 H LEU 112 19.430 13.569 -3.172 835 HA LEU 112 HA LEU 112 17.111 11.804 -2.884 836 HB2 LEU 112 2HB LEU 112 16.954 13.941 -4.301 837 HB3 LEU 112 1HB LEU 112 18.080 13.187 -5.398 838 HG LEU 112 HG LEU 112 15.729 13.113 -6.181 839 HD11 LEU 112 1HD1 LEU 112 17.233 11.431 -7.031 840 HD12 LEU 112 2HD1 LEU 112 15.613 10.767 -6.821 841 HD13 LEU 112 3HD1 LEU 112 16.880 10.386 -5.655 842 HD21 LEU 112 3HD2 LEU 112 15.272 11.298 -3.822 843 HD22 LEU 112 1HD2 LEU 112 14.119 11.631 -5.113 844 HD23 LEU 112 2HD2 LEU 112 14.623 12.926 -4.023 845 HA PRO 113 HA PRO 113 20.476 8.930 -3.871 846 HB2 PRO 113 2HB PRO 113 18.623 6.857 -2.987 847 HB3 PRO 113 1HB PRO 113 20.172 7.325 -2.282 848 HG2 PRO 113 2HG PRO 113 17.809 7.798 -1.044 849 HG3 PRO 113 1HG PRO 113 19.216 8.858 -0.864 850 HD2 PRO 113 2HD PRO 113 16.799 9.207 -2.595 851 HD3 PRO 113 1HD PRO 113 17.673 10.398 -1.602 852 H ALA 114 H ALA 114 20.804 7.826 -5.680 853 HA ALA 114 HA ALA 114 18.821 7.789 -7.708 854 HB1 ALA 114 1HB ALA 114 21.527 6.461 -7.598 855 HB2 ALA 114 2HB ALA 114 21.195 8.080 -8.213 856 HB3 ALA 114 3HB ALA 114 20.541 6.665 -9.043 857 H ARG 115 H ARG 115 20.266 5.396 -5.567 858 HA ARG 115 HA ARG 115 18.022 3.682 -6.153 859 HB2 ARG 115 2HB ARG 115 19.415 1.696 -6.376 860 HB3 ARG 115 1HB ARG 115 19.761 2.852 -7.654 861 HG2 ARG 115 2HG ARG 115 21.762 3.584 -6.331 862 HG3 ARG 115 1HG ARG 115 21.433 2.263 -5.215 863 HD2 ARG 115 2HD ARG 115 22.092 2.027 -8.151 864 HD3 ARG 115 1HD ARG 115 23.151 1.631 -6.806 865 HE ARG 115 HE ARG 115 20.680 0.154 -7.474 866 HH11 ARG 115 1HH1 ARG 115 23.973 0.148 -6.105 867 HH12 ARG 115 2HH1 ARG 115 24.061 -1.545 -6.043 868 HH21 ARG 115 1HH2 ARG 115 20.858 -2.131 -7.410 869 HH22 ARG 115 2HH2 ARG 115 22.244 -2.887 -6.781 870 H GLU 116 H GLU 116 17.169 2.988 -4.420 871 HA GLU 116 HA GLU 116 18.815 2.676 -2.001 872 HB2 GLU 116 2HB GLU 116 15.836 3.276 -2.119 873 HB3 GLU 116 1HB GLU 116 16.745 2.960 -0.657 874 HG2 GLU 116 2HG GLU 116 18.077 5.014 -1.144 875 HG3 GLU 116 1HG GLU 116 16.960 5.342 -2.471 876 H PHE 117 H PHE 117 15.641 1.678 -3.196 877 HA PHE 117 HA PHE 117 16.558 -1.060 -3.115 878 HB2 PHE 117 2HB PHE 117 13.930 -0.089 -1.952 879 HB3 PHE 117 1HB PHE 117 14.399 -1.780 -2.127 880 HD1 PHE 117 1HD PHE 117 16.626 -2.446 -1.054 881 HD2 PHE 117 2HD PHE 117 14.406 1.003 0.014 882 HE1 PHE 117 1HE PHE 117 17.834 -2.340 1.054 883 HE2 PHE 117 2HE PHE 117 15.606 1.116 2.157 884 HZ PHE 117 HZ PHE 117 17.326 -0.554 2.682 885 H GLN 118 H GLN 118 16.210 -1.936 -4.947 886 HA GLN 118 HA GLN 118 14.261 -0.682 -6.719 887 HB2 GLN 118 2HB GLN 118 15.693 -1.364 -8.604 888 HB3 GLN 118 1HB GLN 118 16.508 -0.280 -7.494 889 HG2 GLN 118 2HG GLN 118 17.612 -2.262 -6.481 890 HG3 GLN 118 1HG GLN 118 16.902 -3.245 -7.764 891 HE21 GLN 118 1HE2 GLN 118 17.587 -2.925 -9.893 892 HE22 GLN 118 2HE2 GLN 118 19.081 -2.118 -10.231 893 H HIS 119 H HIS 119 14.221 -2.567 -8.741 894 HA HIS 119 HA HIS 119 13.025 -4.310 -9.427 895 HB2 HIS 119 2HB HIS 119 13.841 -5.541 -6.775 896 HB3 HIS 119 1HB HIS 119 12.885 -6.406 -7.971 897 HD1 HIS 119 1HD HIS 119 16.333 -5.851 -6.976 898 HD2 HIS 119 2HD HIS 119 14.312 -6.626 -10.512 899 HE1 HIS 119 1HE HIS 119 18.050 -6.723 -8.575 900 H VAL 120 H VAL 120 12.068 -2.136 -7.825 901 HA VAL 120 HA VAL 120 9.497 -3.159 -6.868 902 HB VAL 120 HB VAL 120 9.124 -0.918 -5.953 903 HG11 VAL 120 1HG1 VAL 120 10.861 -0.878 -4.214 904 HG12 VAL 120 2HG1 VAL 120 11.838 -1.977 -5.186 905 HG13 VAL 120 3HG1 VAL 120 10.292 -2.516 -4.541 906 HG21 VAL 120 3HG2 VAL 120 10.855 0.826 -6.017 907 HG22 VAL 120 1HG2 VAL 120 10.328 0.395 -7.642 908 HG23 VAL 120 2HG2 VAL 120 11.867 -0.209 -7.017 909 H ASP 121 H ASP 121 7.647 -2.069 -7.605 910 HA ASP 121 HA ASP 121 7.802 -2.009 -10.492 911 HB2 ASP 121 2HB ASP 121 5.967 -3.208 -9.572 912 HB3 ASP 121 1HB ASP 121 5.458 -1.836 -8.600 913 H LYS 122 H LYS 122 7.151 0.283 -7.951 914 HA LYS 122 HA LYS 122 7.613 2.456 -9.822 915 HB2 LYS 122 2HB LYS 122 4.951 2.197 -8.354 916 HB3 LYS 122 1HB LYS 122 5.484 3.703 -9.033 917 HG2 LYS 122 2HG LYS 122 5.527 2.640 -11.254 918 HG3 LYS 122 1HG LYS 122 4.943 1.153 -10.517 919 HD2 LYS 122 2HD LYS 122 2.935 2.351 -9.745 920 HD3 LYS 122 1HD LYS 122 3.523 3.815 -10.541 921 HE2 LYS 122 2HE LYS 122 1.927 2.731 -11.958 922 HE3 LYS 122 1HE LYS 122 3.533 2.592 -12.686 923 HZ1 LYS 122 3HZ LYS 122 3.513 0.270 -11.505 924 HZ2 LYS 122 1HZ LYS 122 2.579 0.463 -12.902 925 HZ3 LYS 122 2HZ LYS 122 1.881 0.536 -11.395 926 H TYR 123 H TYR 123 7.872 4.518 -8.773 927 HA TYR 123 HA TYR 123 8.610 4.275 -5.952 928 HB2 TYR 123 2HB TYR 123 9.769 5.911 -8.179 929 HB3 TYR 123 1HB TYR 123 9.874 6.499 -6.527 930 HD1 TYR 123 2HD TYR 123 11.055 5.129 -4.827 931 HD2 TYR 123 1HD TYR 123 11.223 4.219 -8.971 932 HE1 TYR 123 2HE TYR 123 13.020 3.797 -4.420 933 HE2 TYR 123 1HE TYR 123 13.232 2.856 -8.591 934 HH TYR 123 HH TYR 123 14.176 1.744 -5.677 935 H VAL 124 H VAL 124 7.545 5.445 -4.573 936 HA VAL 124 HA VAL 124 5.886 7.637 -5.597 937 HB VAL 124 HB VAL 124 4.039 7.001 -4.026 938 HG11 VAL 124 1HG1 VAL 124 3.110 5.176 -5.369 939 HG12 VAL 124 2HG1 VAL 124 4.697 4.897 -6.081 940 HG13 VAL 124 3HG1 VAL 124 3.855 6.413 -6.381 941 HG21 VAL 124 3HG2 VAL 124 3.968 4.718 -3.122 942 HG22 VAL 124 1HG2 VAL 124 5.316 5.645 -2.460 943 HG23 VAL 124 2HG2 VAL 124 5.605 4.438 -3.715 944 H LEU 125 H LEU 125 4.985 8.875 -3.599 945 HA LEU 125 HA LEU 125 7.319 9.581 -2.057 946 HB2 LEU 125 2HB LEU 125 6.100 11.478 -1.257 947 HB3 LEU 125 1HB LEU 125 5.800 11.344 -2.971 948 HG LEU 125 HG LEU 125 3.839 10.484 -0.823 949 HD11 LEU 125 1HD1 LEU 125 3.919 13.006 -2.459 950 HD12 LEU 125 2HD1 LEU 125 4.206 12.874 -0.723 951 HD13 LEU 125 3HD1 LEU 125 2.610 12.519 -1.383 952 HD21 LEU 125 3HD2 LEU 125 3.496 10.857 -3.807 953 HD22 LEU 125 1HD2 LEU 125 2.189 10.546 -2.663 954 HD23 LEU 125 2HD2 LEU 125 3.430 9.330 -2.920 955 H ASP 126 H ASP 126 7.050 9.942 0.309 956 HA ASP 126 HA ASP 126 5.973 7.547 1.503 957 HB2 ASP 126 2HB ASP 126 8.126 8.389 2.306 958 HB3 ASP 126 1HB ASP 126 7.370 9.906 2.788 959 H ASN 127 H ASN 127 4.045 7.361 2.329 960 HA ASN 127 HA ASN 127 2.575 9.779 3.127 961 HB2 ASN 127 2HB ASN 127 1.526 7.219 1.893 962 HB3 ASN 127 1HB ASN 127 0.479 8.357 2.726 963 HD21 ASN 127 1HD2 ASN 127 0.048 10.366 1.758 964 HD22 ASN 127 2HD2 ASN 127 0.399 10.654 0.094 965 H GLY 128 H GLY 128 4.413 8.052 4.708 966 HA2 GLY 128 2HA GLY 128 2.445 7.105 6.693 967 HA3 GLY 128 1HA GLY 128 3.924 6.222 6.347 968 H GLN 129 H GLN 129 4.062 9.584 6.238 969 HA GLN 129 HA GLN 129 4.948 11.246 7.461 970 HB2 GLN 129 2HB GLN 129 3.394 10.681 9.254 971 HB3 GLN 129 1HB GLN 129 4.487 9.438 9.840 972 HG2 GLN 129 2HG GLN 129 6.158 11.171 10.349 973 HG3 GLN 129 1HG GLN 129 5.016 12.402 9.813 974 HE21 GLN 129 1HE2 GLN 129 3.227 12.830 11.061 975 HE22 GLN 129 2HE2 GLN 129 3.113 12.352 12.710 976 H GLY 130 H GLY 130 6.986 11.693 7.043 977 HA2 GLY 130 2HA GLY 130 9.079 11.245 8.590 978 HA3 GLY 130 1HA GLY 130 9.028 9.755 7.654 979 H GLY 131 H GLY 131 10.936 12.027 7.783 980 HA2 GLY 131 2HA GLY 131 11.104 12.482 4.879 981 HA3 GLY 131 1HA GLY 131 11.474 13.758 6.039 982 H ALA 132 H ALA 132 12.220 10.432 6.624 983 HA ALA 132 HA ALA 132 14.953 10.594 5.841 984 HB1 ALA 132 1HB ALA 132 15.037 11.838 7.970 985 HB2 ALA 132 2HB ALA 132 15.890 10.300 8.080 986 HB3 ALA 132 3HB ALA 132 14.283 10.467 8.789 987 H GLY 133 H GLY 133 16.054 8.515 6.698 988 HA2 GLY 133 2HA GLY 133 14.377 6.350 5.845 989 HA3 GLY 133 1HA GLY 133 16.088 6.270 6.231 990 H SER 134 H SER 134 13.007 6.822 7.874 991 HA SER 134 HA SER 134 13.510 4.599 9.633 992 HB2 SER 134 2HB SER 134 13.023 7.400 10.720 993 HB3 SER 134 1HB SER 134 13.105 5.924 11.684 994 HG SER 134 HG SER 134 15.251 5.940 10.243 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -9.216 14.497 -13.586 2 H2 MET 1 2HT MET 1 -9.150 14.886 -15.216 3 H3 MET 1 3HT MET 1 -8.054 15.577 -14.124 4 HA MET 1 HA MET 1 -8.265 12.705 -14.749 5 HB2 MET 1 2HB MET 1 -6.069 12.955 -15.833 6 HB3 MET 1 1HB MET 1 -7.277 13.941 -16.637 7 HG2 MET 1 2HG MET 1 -6.424 15.926 -15.518 8 HG3 MET 1 1HG MET 1 -5.241 14.943 -14.656 9 HE1 MET 1 2HE MET 1 -4.541 17.557 -16.331 10 HE2 MET 1 3HE MET 1 -3.078 17.035 -17.168 11 HE3 MET 1 1HE MET 1 -3.334 16.597 -15.478 12 H GLY 2 H GLY 2 -6.983 11.384 -13.499 13 HA2 GLY 2 2HA GLY 2 -4.896 11.447 -12.116 14 HA3 GLY 2 1HA GLY 2 -5.720 12.732 -11.241 15 H GLU 3 H GLU 3 -5.022 10.876 -9.722 16 HA GLU 3 HA GLU 3 -6.958 8.768 -9.524 17 HB2 GLU 3 2HB GLU 3 -5.651 8.209 -7.445 18 HB3 GLU 3 1HB GLU 3 -4.720 8.195 -8.936 19 HG2 GLU 3 2HG GLU 3 -3.904 10.481 -8.381 20 HG3 GLU 3 1HG GLU 3 -4.746 10.354 -6.839 21 H ASN 4 H ASN 4 -8.106 8.442 -7.430 22 HA ASN 4 HA ASN 4 -8.893 10.964 -6.211 23 HB2 ASN 4 2HB ASN 4 -10.645 10.147 -7.956 24 HB3 ASN 4 1HB ASN 4 -10.915 8.779 -6.884 25 HD21 ASN 4 1HD2 ASN 4 -13.153 9.580 -6.682 26 HD22 ASN 4 2HD2 ASN 4 -13.464 10.846 -5.569 27 H LYS 5 H LYS 5 -7.020 9.242 -5.559 28 HA LYS 5 HA LYS 5 -7.265 7.170 -3.883 29 HB2 LYS 5 2HB LYS 5 -5.156 8.107 -4.560 30 HB3 LYS 5 1HB LYS 5 -5.497 9.591 -3.678 31 HG2 LYS 5 2HG LYS 5 -5.466 8.366 -1.599 32 HG3 LYS 5 1HG LYS 5 -5.170 6.891 -2.538 33 HD2 LYS 5 2HD LYS 5 -3.081 7.790 -1.493 34 HD3 LYS 5 1HD LYS 5 -3.014 7.709 -3.252 35 HE2 LYS 5 2HE LYS 5 -3.477 10.094 -3.391 36 HE3 LYS 5 1HE LYS 5 -3.608 10.190 -1.633 37 HZ1 LYS 5 3HZ LYS 5 -1.184 9.374 -3.130 38 HZ2 LYS 5 1HZ LYS 5 -1.286 9.609 -1.457 39 HZ3 LYS 5 2HZ LYS 5 -1.457 10.908 -2.528 40 H VAL 6 H VAL 6 -8.658 6.901 -2.245 41 HA VAL 6 HA VAL 6 -9.011 9.090 -0.339 42 HB VAL 6 HB VAL 6 -11.061 7.869 0.327 43 HG11 VAL 6 1HG1 VAL 6 -11.176 9.939 -1.010 44 HG12 VAL 6 2HG1 VAL 6 -12.435 8.828 -1.553 45 HG13 VAL 6 3HG1 VAL 6 -10.956 9.007 -2.491 46 HG21 VAL 6 3HG2 VAL 6 -10.679 5.722 -0.692 47 HG22 VAL 6 1HG2 VAL 6 -10.668 6.445 -2.302 48 HG23 VAL 6 2HG2 VAL 6 -12.158 6.413 -1.361 49 H CYS 7 H CYS 7 -8.721 8.737 1.768 50 HA CYS 7 HA CYS 7 -7.648 6.182 2.634 51 HB2 CYS 7 2HB CYS 7 -7.909 8.843 4.074 52 HB3 CYS 7 1HB CYS 7 -7.108 7.413 4.727 53 HG CYS 7 HG CYS 7 -5.498 7.474 2.214 54 H GLY 8 H GLY 8 -8.513 5.566 5.086 55 HA2 GLY 8 2HA GLY 8 -10.408 3.976 5.120 56 HA3 GLY 8 1HA GLY 8 -10.406 5.173 6.390 57 H LEU 9 H LEU 9 -12.087 3.716 3.980 58 HA LEU 9 HA LEU 9 -14.156 5.742 4.038 59 HB2 LEU 9 2HB LEU 9 -12.490 5.661 2.003 60 HB3 LEU 9 1HB LEU 9 -13.354 4.209 1.575 61 HG LEU 9 HG LEU 9 -14.147 6.066 0.266 62 HD11 LEU 9 1HD1 LEU 9 -16.217 5.397 2.317 63 HD12 LEU 9 2HD1 LEU 9 -15.721 4.353 0.996 64 HD13 LEU 9 3HD1 LEU 9 -16.472 5.906 0.641 65 HD21 LEU 9 3HD2 LEU 9 -14.824 7.411 2.879 66 HD22 LEU 9 1HD2 LEU 9 -15.222 8.009 1.270 67 HD23 LEU 9 2HD2 LEU 9 -13.538 7.887 1.774 68 H THR 10 H THR 10 -16.070 4.701 4.471 69 HA THR 10 HA THR 10 -16.156 1.819 4.108 70 HB THR 10 HB THR 10 -15.806 2.204 6.480 71 HG1 THR 10 1HG THR 10 -17.303 0.579 5.962 72 HG21 THR 10 3HG2 THR 10 -18.215 4.028 6.379 73 HG22 THR 10 1HG2 THR 10 -16.546 4.505 6.679 74 HG23 THR 10 2HG2 THR 10 -17.398 3.506 7.856 75 H ARG 11 H ARG 11 -17.659 4.888 3.635 76 HA ARG 11 HA ARG 11 -20.250 3.737 3.266 77 HB2 ARG 11 2HB ARG 11 -19.365 6.544 2.602 78 HB3 ARG 11 1HB ARG 11 -21.016 5.960 2.563 79 HG2 ARG 11 2HG ARG 11 -20.738 5.426 5.026 80 HG3 ARG 11 1HG ARG 11 -19.252 6.363 4.961 81 HD2 ARG 11 2HD ARG 11 -22.051 7.346 4.383 82 HD3 ARG 11 1HD ARG 11 -21.035 7.782 5.753 83 HE ARG 11 HE ARG 11 -20.243 8.443 2.999 84 HH11 ARG 11 1HH1 ARG 11 -21.155 9.600 6.261 85 HH12 ARG 11 2HH1 ARG 11 -20.606 11.173 5.966 86 HH21 ARG 11 1HH2 ARG 11 -19.520 10.564 2.650 87 HH22 ARG 11 2HH2 ARG 11 -19.673 11.765 3.869 88 H GLY 12 H GLY 12 -20.884 2.702 1.631 89 HA2 GLY 12 2HA GLY 12 -19.634 1.947 -0.647 90 HA3 GLY 12 1HA GLY 12 -21.379 2.146 -0.442 91 H GLN 13 H GLN 13 -22.126 4.398 -0.690 92 HA GLN 13 HA GLN 13 -21.713 5.312 -3.247 93 HB2 GLN 13 2HB GLN 13 -22.955 7.399 -2.542 94 HB3 GLN 13 1HB GLN 13 -23.775 5.861 -2.342 95 HG2 GLN 13 2HG GLN 13 -22.225 7.020 -0.186 96 HG3 GLN 13 1HG GLN 13 -23.860 7.674 -0.471 97 HE21 GLN 13 1HE2 GLN 13 -21.963 5.120 0.890 98 HE22 GLN 13 2HE2 GLN 13 -23.238 4.123 1.445 99 H ASP 14 H ASP 14 -19.861 6.102 -0.502 100 HA ASP 14 HA ASP 14 -18.703 8.488 -1.739 101 HB2 ASP 14 2HB ASP 14 -18.066 7.016 0.829 102 HB3 ASP 14 1HB ASP 14 -17.088 8.356 0.246 103 H ALA 15 H ALA 15 -18.030 5.170 -1.161 104 HA ALA 15 HA ALA 15 -15.324 5.076 -1.950 105 HB1 ALA 15 1HB ALA 15 -15.685 2.650 -2.074 106 HB2 ALA 15 2HB ALA 15 -17.432 2.913 -1.976 107 HB3 ALA 15 3HB ALA 15 -16.418 3.317 -0.613 108 H LYS 16 H LYS 16 -18.365 4.565 -3.625 109 HA LYS 16 HA LYS 16 -17.357 3.662 -6.066 110 HB2 LYS 16 2HB LYS 16 -19.869 5.280 -5.652 111 HB3 LYS 16 1HB LYS 16 -19.494 4.296 -7.058 112 HG2 LYS 16 2HG LYS 16 -19.354 2.329 -5.426 113 HG3 LYS 16 1HG LYS 16 -20.106 3.432 -4.270 114 HD2 LYS 16 2HD LYS 16 -21.280 2.728 -6.961 115 HD3 LYS 16 1HD LYS 16 -21.724 1.950 -5.446 116 HE2 LYS 16 2HE LYS 16 -22.549 4.058 -4.577 117 HE3 LYS 16 1HE LYS 16 -22.028 4.893 -6.043 118 HZ1 LYS 16 3HZ LYS 16 -23.611 3.643 -7.304 119 HZ2 LYS 16 1HZ LYS 16 -24.422 4.337 -5.998 120 HZ3 LYS 16 2HZ LYS 16 -24.018 2.697 -5.982 121 H ALA 17 H ALA 17 -17.596 6.871 -4.802 122 HA ALA 17 HA ALA 17 -17.253 8.300 -7.205 123 HB1 ALA 17 1HB ALA 17 -18.091 9.314 -5.144 124 HB2 ALA 17 2HB ALA 17 -16.681 10.182 -5.754 125 HB3 ALA 17 3HB ALA 17 -16.517 9.081 -4.389 126 H ALA 18 H ALA 18 -14.963 6.693 -5.063 127 HA ALA 18 HA ALA 18 -12.656 7.998 -6.151 128 HB1 ALA 18 1HB ALA 18 -12.659 7.142 -3.879 129 HB2 ALA 18 2HB ALA 18 -11.416 6.316 -4.833 130 HB3 ALA 18 3HB ALA 18 -12.956 5.516 -4.484 131 H TYR 19 H TYR 19 -14.391 5.093 -6.616 132 HA TYR 19 HA TYR 19 -12.598 3.908 -8.524 133 HB2 TYR 19 2HB TYR 19 -13.725 2.166 -7.764 134 HB3 TYR 19 1HB TYR 19 -15.045 3.145 -7.165 135 HD1 TYR 19 1HD TYR 19 -13.657 1.324 -10.050 136 HD2 TYR 19 2HD TYR 19 -17.114 3.201 -8.463 137 HE1 TYR 19 1HE TYR 19 -15.021 0.326 -11.857 138 HE2 TYR 19 2HE TYR 19 -18.485 2.221 -10.251 139 HH TYR 19 HH TYR 19 -18.142 1.368 -12.533 140 H ASP 20 H ASP 20 -15.327 5.954 -8.653 141 HA ASP 20 HA ASP 20 -16.010 5.750 -11.361 142 HB2 ASP 20 2HB ASP 20 -17.338 6.836 -9.567 143 HB3 ASP 20 1HB ASP 20 -16.230 8.192 -9.616 144 H ALA 21 H ALA 21 -13.291 7.102 -9.977 145 HA ALA 21 HA ALA 21 -12.546 8.939 -12.040 146 HB1 ALA 21 1HB ALA 21 -10.802 7.515 -10.038 147 HB2 ALA 21 2HB ALA 21 -11.593 9.071 -9.781 148 HB3 ALA 21 3HB ALA 21 -10.326 8.911 -11.002 149 H GLY 22 H GLY 22 -12.611 5.537 -11.881 150 HA2 GLY 22 2HA GLY 22 -12.324 4.603 -14.205 151 HA3 GLY 22 1HA GLY 22 -10.736 5.346 -14.149 152 H ALA 23 H ALA 23 -12.107 3.883 -11.333 153 HA ALA 23 HA ALA 23 -11.480 2.168 -9.975 154 HB1 ALA 23 1HB ALA 23 -11.267 -0.018 -11.007 155 HB2 ALA 23 2HB ALA 23 -10.966 0.733 -12.572 156 HB3 ALA 23 3HB ALA 23 -12.544 0.904 -11.807 157 H ILE 24 H ILE 24 -9.453 4.027 -10.777 158 HA ILE 24 HA ILE 24 -7.002 2.929 -11.503 159 HB ILE 24 HB ILE 24 -7.422 5.323 -9.717 160 HG12 ILE 24 2HG1 ILE 24 -7.279 5.168 -12.733 161 HG13 ILE 24 1HG1 ILE 24 -8.745 5.475 -11.808 162 HG21 ILE 24 1HG2 ILE 24 -5.264 6.079 -10.629 163 HG22 ILE 24 2HG2 ILE 24 -5.132 4.580 -11.548 164 HG23 ILE 24 3HG2 ILE 24 -5.108 4.536 -9.786 165 HD11 ILE 24 3HD1 ILE 24 -7.787 7.521 -12.737 166 HD12 ILE 24 1HD1 ILE 24 -6.304 7.196 -11.826 167 HD13 ILE 24 2HD1 ILE 24 -7.809 7.517 -10.963 168 H TYR 25 H TYR 25 -7.742 4.078 -8.268 169 HA TYR 25 HA TYR 25 -7.201 1.820 -6.761 170 HB2 TYR 25 2HB TYR 25 -4.921 1.714 -6.363 171 HB3 TYR 25 1HB TYR 25 -4.909 2.448 -7.962 172 HD1 TYR 25 1HD TYR 25 -4.889 3.254 -4.443 173 HD2 TYR 25 2HD TYR 25 -3.712 4.349 -8.312 174 HE1 TYR 25 1HE TYR 25 -3.669 4.924 -3.485 175 HE2 TYR 25 2HE TYR 25 -2.371 6.179 -7.405 176 HH TYR 25 HH TYR 25 -2.348 7.556 -5.328 177 H GLY 26 H GLY 26 -6.989 2.252 -4.503 178 HA2 GLY 26 2HA GLY 26 -7.979 4.930 -3.787 179 HA3 GLY 26 1HA GLY 26 -8.651 3.456 -3.069 180 H GLY 27 H GLY 27 -7.256 5.544 -1.477 181 HA2 GLY 27 2HA GLY 27 -4.690 4.142 -1.068 182 HA3 GLY 27 1HA GLY 27 -4.807 5.885 -0.984 183 H LEU 28 H LEU 28 -6.020 2.951 0.428 184 HA LEU 28 HA LEU 28 -6.250 4.466 2.816 185 HB2 LEU 28 2HB LEU 28 -7.910 2.715 3.653 186 HB3 LEU 28 1HB LEU 28 -8.476 3.851 2.466 187 HG LEU 28 HG LEU 28 -9.446 1.657 2.127 188 HD11 LEU 28 1HD1 LEU 28 -7.558 2.288 -0.106 189 HD12 LEU 28 2HD1 LEU 28 -9.147 3.001 0.163 190 HD13 LEU 28 3HD1 LEU 28 -9.000 1.284 -0.215 191 HD21 LEU 28 3HD2 LEU 28 -7.629 0.303 3.070 192 HD22 LEU 28 1HD2 LEU 28 -6.668 0.598 1.626 193 HD23 LEU 28 2HD2 LEU 28 -8.180 -0.317 1.511 194 H ILE 29 H ILE 29 -5.258 3.903 4.535 195 HA ILE 29 HA ILE 29 -3.465 1.698 4.115 196 HB ILE 29 HB ILE 29 -2.123 2.761 5.989 197 HG12 ILE 29 2HG1 ILE 29 -3.728 5.155 5.017 198 HG13 ILE 29 1HG1 ILE 29 -3.790 4.471 6.637 199 HG21 ILE 29 1HG2 ILE 29 -0.941 4.009 4.240 200 HG22 ILE 29 2HG2 ILE 29 -2.374 3.777 3.191 201 HG23 ILE 29 3HG2 ILE 29 -1.514 2.376 3.866 202 HD11 ILE 29 3HD1 ILE 29 -2.445 6.488 6.582 203 HD12 ILE 29 1HD1 ILE 29 -1.408 5.778 5.347 204 HD13 ILE 29 2HD1 ILE 29 -1.448 5.087 6.969 205 H PHE 30 H PHE 30 -2.642 0.603 5.774 206 HA PHE 30 HA PHE 30 -4.885 -0.622 7.140 207 HB2 PHE 30 2HB PHE 30 -2.004 -1.500 7.384 208 HB3 PHE 30 1HB PHE 30 -3.424 -2.420 7.833 209 HD1 PHE 30 2HD PHE 30 -4.918 -3.335 5.995 210 HD2 PHE 30 1HD PHE 30 -1.158 -1.491 5.252 211 HE1 PHE 30 2HE PHE 30 -4.841 -4.367 3.710 212 HE2 PHE 30 1HE PHE 30 -1.079 -2.500 3.047 213 HZ PHE 30 HZ PHE 30 -2.914 -3.924 2.264 214 H VAL 31 H VAL 31 -5.198 1.360 8.505 215 HA VAL 31 HA VAL 31 -3.578 0.977 10.911 216 HB VAL 31 HB VAL 31 -5.526 3.229 10.314 217 HG11 VAL 31 1HG1 VAL 31 -3.765 2.787 12.721 218 HG12 VAL 31 2HG1 VAL 31 -5.504 2.565 12.667 219 HG13 VAL 31 3HG1 VAL 31 -4.817 4.189 12.456 220 HG21 VAL 31 3HG2 VAL 31 -3.538 4.669 10.330 221 HG22 VAL 31 1HG2 VAL 31 -3.414 3.429 9.082 222 HG23 VAL 31 2HG2 VAL 31 -2.519 3.253 10.593 223 H ALA 32 H ALA 32 -4.330 -0.191 12.372 224 HA ALA 32 HA ALA 32 -6.483 -1.833 11.880 225 HB1 ALA 32 1HB ALA 32 -6.096 -2.777 14.032 226 HB2 ALA 32 2HB ALA 32 -5.138 -1.378 14.522 227 HB3 ALA 32 3HB ALA 32 -4.554 -2.448 13.243 228 H THR 33 H THR 33 -8.431 -1.308 11.814 229 HA THR 33 HA THR 33 -10.495 -0.934 12.395 230 HB THR 33 HB THR 33 -11.199 -0.629 14.791 231 HG1 THR 33 1HG THR 33 -8.525 -0.151 15.102 232 HG21 THR 33 3HG2 THR 33 -10.973 -2.854 13.839 233 HG22 THR 33 1HG2 THR 33 -10.486 -2.861 15.536 234 HG23 THR 33 2HG2 THR 33 -9.262 -2.875 14.263 235 H SER 34 H SER 34 -8.643 1.347 11.586 236 HA SER 34 HA SER 34 -9.893 3.567 12.865 237 HB2 SER 34 2HB SER 34 -7.533 3.722 12.252 238 HB3 SER 34 1HB SER 34 -7.925 3.331 10.579 239 HG SER 34 HG SER 34 -7.700 5.679 11.538 240 HA PRO 35 HA PRO 35 -12.789 3.716 9.479 241 HB2 PRO 35 2HB PRO 35 -14.208 5.859 10.280 242 HB3 PRO 35 1HB PRO 35 -14.361 4.289 11.073 243 HG2 PRO 35 2HG PRO 35 -13.040 6.751 12.040 244 HG3 PRO 35 1HG PRO 35 -13.694 5.387 12.955 245 HD2 PRO 35 2HD PRO 35 -10.964 5.904 12.283 246 HD3 PRO 35 1HD PRO 35 -11.640 4.508 13.145 247 H ARG 36 H ARG 36 -10.228 5.652 10.002 248 HA ARG 36 HA ARG 36 -10.794 7.285 7.625 249 HB2 ARG 36 2HB ARG 36 -9.105 8.001 10.022 250 HB3 ARG 36 1HB ARG 36 -9.151 8.936 8.535 251 HG2 ARG 36 2HG ARG 36 -11.561 9.322 8.875 252 HG3 ARG 36 1HG ARG 36 -11.462 8.436 10.399 253 HD2 ARG 36 2HD ARG 36 -11.351 10.852 10.763 254 HD3 ARG 36 1HD ARG 36 -9.854 10.049 11.242 255 HE ARG 36 HE ARG 36 -9.833 11.002 8.558 256 HH11 ARG 36 1HH1 ARG 36 -9.206 11.889 11.923 257 HH12 ARG 36 2HH1 ARG 36 -8.210 13.213 11.554 258 HH21 ARG 36 1HH2 ARG 36 -8.374 12.766 8.029 259 HH22 ARG 36 2HH2 ARG 36 -7.692 13.699 9.276 260 H CYS 37 H CYS 37 -9.302 4.623 8.511 261 HA CYS 37 HA CYS 37 -7.459 4.653 6.377 262 HB2 CYS 37 2HB CYS 37 -6.674 4.222 9.253 263 HB3 CYS 37 1HB CYS 37 -5.636 3.748 7.897 264 HG CYS 37 HG CYS 37 -6.485 6.918 7.710 265 H VAL 38 H VAL 38 -7.888 2.634 5.502 266 HA VAL 38 HA VAL 38 -9.618 1.045 7.205 267 HB VAL 38 HB VAL 38 -9.918 1.952 4.415 268 HG11 VAL 38 1HG1 VAL 38 -11.202 0.001 3.724 269 HG12 VAL 38 2HG1 VAL 38 -10.706 -0.851 5.191 270 HG13 VAL 38 3HG1 VAL 38 -9.506 -0.394 3.977 271 HG21 VAL 38 3HG2 VAL 38 -11.843 0.873 6.437 272 HG22 VAL 38 1HG2 VAL 38 -12.245 1.778 4.988 273 HG23 VAL 38 2HG2 VAL 38 -11.378 2.572 6.314 274 H ASN 39 H ASN 39 -9.366 -0.941 7.488 275 HA ASN 39 HA ASN 39 -6.961 -2.261 6.452 276 HB2 ASN 39 2HB ASN 39 -7.321 -3.754 8.501 277 HB3 ASN 39 1HB ASN 39 -6.646 -2.168 8.786 278 HD21 ASN 39 1HD2 ASN 39 -9.188 -4.290 9.388 279 HD22 ASN 39 2HD2 ASN 39 -10.128 -3.234 10.372 280 H VAL 40 H VAL 40 -7.109 -4.605 6.412 281 HA VAL 40 HA VAL 40 -8.609 -5.323 4.294 282 HB VAL 40 HB VAL 40 -6.667 -6.588 4.980 283 HG11 VAL 40 1HG1 VAL 40 -6.880 -6.485 7.373 284 HG12 VAL 40 2HG1 VAL 40 -6.676 -8.154 6.840 285 HG13 VAL 40 3HG1 VAL 40 -8.270 -7.569 7.319 286 HG21 VAL 40 3HG2 VAL 40 -9.070 -8.382 5.062 287 HG22 VAL 40 1HG2 VAL 40 -7.426 -8.871 4.681 288 HG23 VAL 40 2HG2 VAL 40 -8.302 -7.782 3.597 289 H GLU 41 H GLU 41 -9.649 -5.453 7.613 290 HA GLU 41 HA GLU 41 -11.860 -7.056 7.294 291 HB2 GLU 41 2HB GLU 41 -11.099 -4.942 9.213 292 HB3 GLU 41 1HB GLU 41 -12.579 -5.889 9.388 293 HG2 GLU 41 2HG GLU 41 -11.208 -7.186 10.639 294 HG3 GLU 41 1HG GLU 41 -10.840 -7.870 9.084 295 H GLN 42 H GLN 42 -11.755 -3.397 7.523 296 HA GLN 42 HA GLN 42 -14.464 -3.102 6.728 297 HB2 GLN 42 2HB GLN 42 -12.107 -1.253 6.751 298 HB3 GLN 42 1HB GLN 42 -13.761 -0.741 6.430 299 HG2 GLN 42 2HG GLN 42 -14.399 -1.061 8.596 300 HG3 GLN 42 1HG GLN 42 -13.070 -2.195 8.934 301 HE21 GLN 42 1HE2 GLN 42 -11.138 -1.397 9.374 302 HE22 GLN 42 2HE2 GLN 42 -10.868 0.268 9.665 303 H ALA 43 H ALA 43 -11.383 -3.164 5.149 304 HA ALA 43 HA ALA 43 -12.140 -2.078 2.745 305 HB1 ALA 43 1HB ALA 43 -9.811 -2.274 3.405 306 HB2 ALA 43 2HB ALA 43 -10.072 -2.973 1.806 307 HB3 ALA 43 3HB ALA 43 -9.896 -4.021 3.214 308 H GLN 44 H GLN 44 -12.542 -5.258 4.014 309 HA GLN 44 HA GLN 44 -12.788 -6.791 1.688 310 HB2 GLN 44 2HB GLN 44 -12.752 -7.348 4.267 311 HB3 GLN 44 1HB GLN 44 -14.506 -7.345 4.064 312 HG2 GLN 44 2HG GLN 44 -13.855 -9.560 3.781 313 HG3 GLN 44 1HG GLN 44 -14.066 -8.955 2.134 314 HE21 GLN 44 1HE2 GLN 44 -11.339 -8.100 4.178 315 HE22 GLN 44 2HE2 GLN 44 -10.165 -8.920 3.303 316 H GLU 45 H GLU 45 -14.907 -4.703 3.415 317 HA GLU 45 HA GLU 45 -17.346 -5.501 2.080 318 HB2 GLU 45 2HB GLU 45 -16.810 -3.130 3.819 319 HB3 GLU 45 1HB GLU 45 -18.362 -3.918 3.544 320 HG2 GLU 45 2HG GLU 45 -17.631 -5.857 4.768 321 HG3 GLU 45 1HG GLU 45 -16.015 -5.180 4.948 322 H VAL 46 H VAL 46 -15.104 -2.786 2.182 323 HA VAL 46 HA VAL 46 -16.652 -1.132 0.487 324 HB VAL 46 HB VAL 46 -14.985 -0.381 2.262 325 HG11 VAL 46 1HG1 VAL 46 -13.225 -1.856 1.351 326 HG12 VAL 46 2HG1 VAL 46 -12.764 -0.288 2.004 327 HG13 VAL 46 3HG1 VAL 46 -12.828 -0.537 0.244 328 HG21 VAL 46 3HG2 VAL 46 -14.751 0.918 -0.444 329 HG22 VAL 46 1HG2 VAL 46 -14.319 1.657 1.098 330 HG23 VAL 46 2HG2 VAL 46 -15.997 1.234 0.771 331 H MET 47 H MET 47 -14.255 -3.562 -0.138 332 HA MET 47 HA MET 47 -13.674 -2.737 -2.800 333 HB2 MET 47 2HB MET 47 -12.598 -4.898 -3.176 334 HB3 MET 47 1HB MET 47 -12.137 -4.258 -1.617 335 HG2 MET 47 2HG MET 47 -12.413 -6.581 -1.333 336 HG3 MET 47 1HG MET 47 -13.818 -5.832 -0.592 337 HE1 MET 47 3HE MET 47 -14.918 -8.305 -0.553 338 HE2 MET 47 1HE MET 47 -13.504 -8.964 -1.373 339 HE3 MET 47 2HE MET 47 -15.121 -9.303 -1.992 340 H ALA 48 H ALA 48 -16.401 -4.141 -1.477 341 HA ALA 48 HA ALA 48 -17.337 -5.311 -3.935 342 HB1 ALA 48 1HB ALA 48 -18.783 -4.776 -1.335 343 HB2 ALA 48 2HB ALA 48 -17.982 -6.282 -1.772 344 HB3 ALA 48 3HB ALA 48 -19.398 -5.743 -2.675 345 H ALA 49 H ALA 49 -17.382 -2.296 -2.310 346 HA ALA 49 HA ALA 49 -19.686 -1.280 -3.708 347 HB1 ALA 49 1HB ALA 49 -19.282 0.778 -2.478 348 HB2 ALA 49 2HB ALA 49 -17.751 0.136 -1.877 349 HB3 ALA 49 3HB ALA 49 -19.272 -0.610 -1.387 350 H ALA 50 H ALA 50 -16.070 -0.720 -3.763 351 HA ALA 50 HA ALA 50 -16.515 0.505 -6.307 352 HB1 ALA 50 1HB ALA 50 -16.059 2.239 -4.694 353 HB2 ALA 50 2HB ALA 50 -14.635 1.979 -5.695 354 HB3 ALA 50 3HB ALA 50 -14.691 1.328 -4.058 355 HA PRO 51 HA PRO 51 -13.666 -2.961 -6.802 356 HB2 PRO 51 2HB PRO 51 -14.132 -3.346 -9.440 357 HB3 PRO 51 1HB PRO 51 -15.238 -3.910 -8.178 358 HG2 PRO 51 2HG PRO 51 -15.453 -1.525 -9.952 359 HG3 PRO 51 1HG PRO 51 -16.721 -2.622 -9.382 360 HD2 PRO 51 2HD PRO 51 -16.167 -0.137 -8.317 361 HD3 PRO 51 1HD PRO 51 -17.028 -1.425 -7.459 362 H LEU 52 H LEU 52 -12.528 -0.670 -6.463 363 HA LEU 52 HA LEU 52 -10.825 -0.093 -8.769 364 HB2 LEU 52 2HB LEU 52 -9.911 1.642 -7.154 365 HB3 LEU 52 1HB LEU 52 -11.483 1.994 -7.812 366 HG LEU 52 HG LEU 52 -12.187 0.774 -5.504 367 HD11 LEU 52 1HD1 LEU 52 -9.968 0.272 -4.806 368 HD12 LEU 52 2HD1 LEU 52 -10.758 1.389 -3.696 369 HD13 LEU 52 3HD1 LEU 52 -9.540 1.988 -4.831 370 HD21 LEU 52 3HD2 LEU 52 -11.361 3.664 -5.687 371 HD22 LEU 52 1HD2 LEU 52 -12.388 2.937 -4.446 372 HD23 LEU 52 2HD2 LEU 52 -12.944 2.976 -6.107 373 H GLN 53 H GLN 53 -8.392 0.303 -7.972 374 HA GLN 53 HA GLN 53 -7.499 -2.214 -6.892 375 HB2 GLN 53 2HB GLN 53 -6.035 0.278 -7.655 376 HB3 GLN 53 1HB GLN 53 -5.256 -1.063 -6.844 377 HG2 GLN 53 2HG GLN 53 -5.816 -2.491 -8.710 378 HG3 GLN 53 1HG GLN 53 -6.594 -1.119 -9.515 379 HE21 GLN 53 1HE2 GLN 53 -3.676 -0.756 -7.567 380 HE22 GLN 53 2HE2 GLN 53 -2.668 -0.318 -8.896 381 H TYR 54 H TYR 54 -7.146 -2.655 -4.867 382 HA TYR 54 HA TYR 54 -6.982 -0.416 -3.060 383 HB2 TYR 54 2HB TYR 54 -7.577 -3.344 -2.571 384 HB3 TYR 54 1HB TYR 54 -7.193 -2.215 -1.262 385 HD1 TYR 54 1HD TYR 54 -9.640 -2.878 -3.987 386 HD2 TYR 54 2HD TYR 54 -8.711 -0.682 -0.485 387 HE1 TYR 54 1HE TYR 54 -11.925 -1.965 -3.961 388 HE2 TYR 54 2HE TYR 54 -10.982 0.238 -0.437 389 HH TYR 54 HH TYR 54 -13.511 -0.888 -2.456 390 H VAL 55 H VAL 55 -5.207 0.141 -2.099 391 HA VAL 55 HA VAL 55 -2.880 -1.505 -2.693 392 HB VAL 55 HB VAL 55 -3.094 0.641 -4.092 393 HG11 VAL 55 1HG1 VAL 55 -4.033 2.116 -2.420 394 HG12 VAL 55 2HG1 VAL 55 -2.517 2.756 -3.046 395 HG13 VAL 55 3HG1 VAL 55 -2.566 1.995 -1.455 396 HG21 VAL 55 3HG2 VAL 55 -0.987 -0.518 -3.743 397 HG22 VAL 55 1HG2 VAL 55 -0.706 0.426 -2.290 398 HG23 VAL 55 2HG2 VAL 55 -0.760 1.231 -3.864 399 H GLY 56 H GLY 56 -1.329 -1.505 -1.139 400 HA2 GLY 56 2HA GLY 56 -2.228 -0.449 1.484 401 HA3 GLY 56 1HA GLY 56 -1.423 -2.021 1.240 402 H VAL 57 H VAL 57 -0.908 0.873 2.434 403 HA VAL 57 HA VAL 57 1.938 0.873 1.634 404 HB VAL 57 HB VAL 57 0.366 3.322 2.463 405 HG11 VAL 57 1HG1 VAL 57 3.093 3.031 1.236 406 HG12 VAL 57 2HG1 VAL 57 2.708 3.540 2.880 407 HG13 VAL 57 3HG1 VAL 57 2.272 4.563 1.506 408 HG21 VAL 57 3HG2 VAL 57 0.358 4.054 0.116 409 HG22 VAL 57 1HG2 VAL 57 -0.569 2.572 0.344 410 HG23 VAL 57 2HG2 VAL 57 1.041 2.505 -0.369 411 H PHE 58 H PHE 58 2.956 0.065 3.446 412 HA PHE 58 HA PHE 58 2.509 1.368 5.960 413 HB2 PHE 58 2HB PHE 58 0.483 -0.158 5.653 414 HB3 PHE 58 1HB PHE 58 1.593 -1.511 5.798 415 HD1 PHE 58 1HD PHE 58 0.458 1.547 7.571 416 HD2 PHE 58 2HD PHE 58 2.003 -2.402 7.907 417 HE1 PHE 58 1HE PHE 58 0.137 1.637 10.001 418 HE2 PHE 58 2HE PHE 58 1.692 -2.316 10.342 419 HZ PHE 58 HZ PHE 58 0.753 -0.290 11.392 420 H ARG 59 H ARG 59 3.962 0.555 7.602 421 HA ARG 59 HA ARG 59 6.158 -0.908 6.429 422 HB2 ARG 59 2HB ARG 59 5.904 0.404 9.137 423 HB3 ARG 59 1HB ARG 59 7.308 -0.508 8.610 424 HG2 ARG 59 2HG ARG 59 7.560 1.064 6.748 425 HG3 ARG 59 1HG ARG 59 6.265 2.052 7.439 426 HD2 ARG 59 2HD ARG 59 8.891 1.327 8.743 427 HD3 ARG 59 1HD ARG 59 8.448 2.904 8.106 428 HE ARG 59 HE ARG 59 6.667 2.929 9.787 429 HH11 ARG 59 1HH1 ARG 59 9.407 0.684 10.332 430 HH12 ARG 59 2HH1 ARG 59 9.416 0.920 12.017 431 HH21 ARG 59 1HH2 ARG 59 6.703 3.157 12.182 432 HH22 ARG 59 2HH2 ARG 59 7.866 2.285 13.060 433 H ASN 60 H ASN 60 5.425 -2.887 6.228 434 HA ASN 60 HA ASN 60 4.389 -4.230 8.536 435 HB2 ASN 60 2HB ASN 60 4.654 -5.012 5.636 436 HB3 ASN 60 1HB ASN 60 4.005 -6.076 6.881 437 HD21 ASN 60 1HD2 ASN 60 1.867 -5.724 7.625 438 HD22 ASN 60 2HD2 ASN 60 0.826 -4.618 6.838 439 H HIS 61 H HIS 61 5.702 -5.116 9.567 440 HA HIS 61 HA HIS 61 8.530 -5.289 8.935 441 HB2 HIS 61 2HB HIS 61 7.174 -6.338 11.422 442 HB3 HIS 61 1HB HIS 61 8.878 -5.960 11.226 443 HD1 HIS 61 1HD HIS 61 9.285 -3.142 10.785 444 HD2 HIS 61 2HD HIS 61 5.738 -4.409 12.576 445 HE1 HIS 61 1HE HIS 61 8.368 -1.171 11.967 446 H ASP 62 H ASP 62 5.819 -7.410 9.241 447 HA ASP 62 HA ASP 62 7.500 -9.791 8.868 448 HB2 ASP 62 2HB ASP 62 5.791 -9.778 10.694 449 HB3 ASP 62 1HB ASP 62 4.551 -9.618 9.456 450 H ILE 63 H ILE 63 7.735 -10.562 6.978 451 HA ILE 63 HA ILE 63 6.437 -9.624 4.659 452 HB ILE 63 HB ILE 63 8.629 -10.553 4.405 453 HG12 ILE 63 2HG1 ILE 63 6.869 -12.625 3.168 454 HG13 ILE 63 1HG1 ILE 63 6.790 -10.948 2.659 455 HG21 ILE 63 1HG2 ILE 63 7.534 -13.159 5.449 456 HG22 ILE 63 2HG2 ILE 63 8.684 -12.100 6.269 457 HG23 ILE 63 3HG2 ILE 63 9.150 -12.926 4.782 458 HD11 ILE 63 3HD1 ILE 63 9.239 -12.715 2.599 459 HD12 ILE 63 1HD1 ILE 63 9.164 -11.047 2.050 460 HD13 ILE 63 2HD1 ILE 63 8.254 -12.286 1.202 461 H ALA 64 H ALA 64 5.695 -12.231 6.811 462 HA ALA 64 HA ALA 64 3.876 -13.507 5.016 463 HB1 ALA 64 1HB ALA 64 3.238 -14.809 6.984 464 HB2 ALA 64 2HB ALA 64 4.204 -13.726 7.996 465 HB3 ALA 64 3HB ALA 64 4.987 -14.733 6.781 466 H ASP 65 H ASP 65 3.817 -10.827 7.030 467 HA ASP 65 HA ASP 65 0.962 -10.811 7.532 468 HB2 ASP 65 2HB ASP 65 2.411 -9.872 9.250 469 HB3 ASP 65 1HB ASP 65 3.110 -8.752 8.085 470 H VAL 66 H VAL 66 3.314 -9.285 5.488 471 HA VAL 66 HA VAL 66 1.598 -7.514 4.105 472 HB VAL 66 HB VAL 66 3.974 -8.967 2.899 473 HG11 VAL 66 1HG1 VAL 66 2.783 -6.275 2.275 474 HG12 VAL 66 2HG1 VAL 66 2.565 -7.733 1.316 475 HG13 VAL 66 3HG1 VAL 66 4.168 -7.006 1.462 476 HG21 VAL 66 3HG2 VAL 66 3.931 -6.439 4.501 477 HG22 VAL 66 1HG2 VAL 66 5.335 -7.030 3.618 478 HG23 VAL 66 2HG2 VAL 66 4.691 -7.959 4.976 479 H VAL 67 H VAL 67 2.664 -10.815 3.530 480 HA VAL 67 HA VAL 67 1.255 -11.315 1.136 481 HB VAL 67 HB VAL 67 2.017 -13.319 3.291 482 HG11 VAL 67 1HG1 VAL 67 1.901 -15.009 1.513 483 HG12 VAL 67 2HG1 VAL 67 1.332 -13.784 0.383 484 HG13 VAL 67 3HG1 VAL 67 0.334 -14.239 1.765 485 HG21 VAL 67 3HG2 VAL 67 3.933 -12.081 2.435 486 HG22 VAL 67 1HG2 VAL 67 3.478 -12.506 0.788 487 HG23 VAL 67 2HG2 VAL 67 3.975 -13.766 1.915 488 H ASP 68 H ASP 68 0.420 -11.756 4.490 489 HA ASP 68 HA ASP 68 -1.993 -13.053 4.319 490 HB2 ASP 68 2HB ASP 68 -0.829 -12.665 6.425 491 HB3 ASP 68 1HB ASP 68 -1.116 -10.938 6.284 492 H LYS 69 H LYS 69 -1.531 -9.553 4.590 493 HA LYS 69 HA LYS 69 -4.303 -8.993 4.232 494 HB2 LYS 69 2HB LYS 69 -1.968 -7.124 3.806 495 HB3 LYS 69 1HB LYS 69 -3.638 -6.648 4.085 496 HG2 LYS 69 2HG LYS 69 -1.809 -8.027 6.044 497 HG3 LYS 69 1HG LYS 69 -2.295 -6.330 6.070 498 HD2 LYS 69 2HD LYS 69 -4.609 -6.981 6.425 499 HD3 LYS 69 1HD LYS 69 -4.155 -8.683 6.307 500 HE2 LYS 69 2HE LYS 69 -3.195 -6.751 8.401 501 HE3 LYS 69 1HE LYS 69 -4.455 -7.952 8.622 502 HZ1 LYS 69 3HZ LYS 69 -1.546 -8.484 8.188 503 HZ2 LYS 69 1HZ LYS 69 -2.758 -9.674 8.026 504 HZ3 LYS 69 2HZ LYS 69 -2.487 -8.864 9.480 505 H ALA 70 H ALA 70 -1.552 -9.009 2.046 506 HA ALA 70 HA ALA 70 -2.805 -7.859 -0.190 507 HB1 ALA 70 1HB ALA 70 -0.577 -9.887 -0.223 508 HB2 ALA 70 2HB ALA 70 -0.364 -8.179 0.136 509 HB3 ALA 70 3HB ALA 70 -0.946 -8.665 -1.449 510 H LYS 71 H LYS 71 -2.607 -11.151 0.941 511 HA LYS 71 HA LYS 71 -3.873 -12.381 -1.287 512 HB2 LYS 71 2HB LYS 71 -2.461 -13.612 0.279 513 HB3 LYS 71 1HB LYS 71 -3.594 -13.273 1.576 514 HG2 LYS 71 2HG LYS 71 -5.309 -14.421 0.024 515 HG3 LYS 71 1HG LYS 71 -3.884 -15.125 -0.742 516 HD2 LYS 71 2HD LYS 71 -4.653 -15.331 2.179 517 HD3 LYS 71 1HD LYS 71 -4.732 -16.616 0.982 518 HE2 LYS 71 2HE LYS 71 -2.302 -16.577 0.758 519 HE3 LYS 71 1HE LYS 71 -2.213 -15.236 1.903 520 HZ1 LYS 71 3HZ LYS 71 -3.237 -17.952 2.527 521 HZ2 LYS 71 1HZ LYS 71 -3.136 -16.675 3.613 522 HZ3 LYS 71 2HZ LYS 71 -1.741 -17.364 2.966 523 H VAL 72 H VAL 72 -4.957 -11.752 2.055 524 HA VAL 72 HA VAL 72 -7.536 -12.733 1.771 525 HB VAL 72 HB VAL 72 -6.628 -10.596 3.704 526 HG11 VAL 72 1HG1 VAL 72 -8.999 -12.460 3.864 527 HG12 VAL 72 2HG1 VAL 72 -9.030 -10.726 3.515 528 HG13 VAL 72 3HG1 VAL 72 -8.485 -11.287 5.094 529 HG21 VAL 72 3HG2 VAL 72 -5.246 -12.484 3.977 530 HG22 VAL 72 1HG2 VAL 72 -6.617 -13.610 3.941 531 HG23 VAL 72 2HG2 VAL 72 -6.414 -12.490 5.291 532 H LEU 73 H LEU 73 -6.536 -9.299 1.721 533 HA LEU 73 HA LEU 73 -9.149 -8.487 1.032 534 HB2 LEU 73 2HB LEU 73 -7.191 -7.127 2.130 535 HB3 LEU 73 1HB LEU 73 -6.690 -6.860 0.488 536 HG LEU 73 HG LEU 73 -8.062 -5.000 1.578 537 HD11 LEU 73 1HD1 LEU 73 -9.126 -6.142 -1.001 538 HD12 LEU 73 2HD1 LEU 73 -7.754 -5.043 -0.853 539 HD13 LEU 73 3HD1 LEU 73 -9.371 -4.498 -0.417 540 HD21 LEU 73 3HD2 LEU 73 -10.437 -5.277 1.609 541 HD22 LEU 73 1HD2 LEU 73 -9.664 -6.447 2.662 542 HD23 LEU 73 2HD2 LEU 73 -10.301 -6.943 1.083 543 H SER 74 H SER 74 -6.419 -9.602 -0.743 544 HA SER 74 HA SER 74 -5.844 -9.771 -2.842 545 HB2 SER 74 2HB SER 74 -8.027 -10.899 -3.198 546 HB3 SER 74 1HB SER 74 -8.795 -9.336 -3.459 547 HG SER 74 HG SER 74 -8.351 -9.662 -5.430 548 H LEU 75 H LEU 75 -4.678 -7.930 -2.346 549 HA LEU 75 HA LEU 75 -5.542 -5.336 -3.156 550 HB2 LEU 75 2HB LEU 75 -2.804 -6.397 -2.481 551 HB3 LEU 75 1HB LEU 75 -3.212 -4.705 -2.660 552 HG LEU 75 HG LEU 75 -4.288 -6.547 -0.529 553 HD11 LEU 75 1HD1 LEU 75 -2.354 -4.242 -0.291 554 HD12 LEU 75 2HD1 LEU 75 -1.895 -5.941 -0.339 555 HD13 LEU 75 3HD1 LEU 75 -2.897 -5.344 0.985 556 HD21 LEU 75 3HD2 LEU 75 -5.846 -4.842 -1.222 557 HD22 LEU 75 1HD2 LEU 75 -4.653 -3.584 -0.935 558 HD23 LEU 75 2HD2 LEU 75 -5.266 -4.541 0.427 559 H ALA 76 H ALA 76 -3.402 -4.337 -4.399 560 HA ALA 76 HA ALA 76 -3.189 -5.784 -6.915 561 HB1 ALA 76 1HB ALA 76 -3.736 -2.837 -6.576 562 HB2 ALA 76 2HB ALA 76 -4.867 -4.031 -7.210 563 HB3 ALA 76 3HB ALA 76 -3.396 -3.644 -8.104 564 H ALA 77 H ALA 77 -2.104 -2.946 -5.077 565 HA ALA 77 HA ALA 77 0.608 -3.982 -5.397 566 HB1 ALA 77 1HB ALA 77 0.255 -2.077 -6.881 567 HB2 ALA 77 2HB ALA 77 1.446 -1.736 -5.632 568 HB3 ALA 77 3HB ALA 77 -0.193 -1.094 -5.489 569 H VAL 78 H VAL 78 2.058 -3.218 -3.748 570 HA VAL 78 HA VAL 78 0.865 -2.150 -1.312 571 HB VAL 78 HB VAL 78 0.835 -4.595 -1.025 572 HG11 VAL 78 1HG1 VAL 78 2.549 -5.309 -2.509 573 HG12 VAL 78 2HG1 VAL 78 3.085 -5.804 -0.892 574 HG13 VAL 78 3HG1 VAL 78 3.750 -4.352 -1.673 575 HG21 VAL 78 3HG2 VAL 78 2.123 -4.753 1.065 576 HG22 VAL 78 1HG2 VAL 78 1.242 -3.228 0.951 577 HG23 VAL 78 2HG2 VAL 78 2.978 -3.270 0.638 578 H GLN 79 H GLN 79 2.262 -0.757 -0.237 579 HA GLN 79 HA GLN 79 4.777 -0.310 -1.534 580 HB2 GLN 79 2HB GLN 79 2.784 1.355 -0.153 581 HB3 GLN 79 1HB GLN 79 4.456 1.840 -0.098 582 HG2 GLN 79 2HG GLN 79 3.501 2.996 -1.885 583 HG3 GLN 79 1HG GLN 79 4.406 1.679 -2.622 584 HE21 GLN 79 1HE2 GLN 79 3.176 -0.169 -3.403 585 HE22 GLN 79 2HE2 GLN 79 1.528 0.080 -3.861 586 H LEU 80 H LEU 80 6.358 -1.066 -0.543 587 HA LEU 80 HA LEU 80 6.236 -1.298 2.370 588 HB2 LEU 80 2HB LEU 80 8.150 -2.571 0.400 589 HB3 LEU 80 1HB LEU 80 8.398 -2.611 2.125 590 HG LEU 80 HG LEU 80 7.552 -4.713 1.499 591 HD11 LEU 80 1HD1 LEU 80 5.474 -4.923 2.726 592 HD12 LEU 80 2HD1 LEU 80 5.278 -3.174 2.707 593 HD13 LEU 80 3HD1 LEU 80 6.639 -3.898 3.564 594 HD21 LEU 80 3HD2 LEU 80 6.627 -4.206 -0.677 595 HD22 LEU 80 1HD2 LEU 80 5.306 -3.301 0.066 596 HD23 LEU 80 2HD2 LEU 80 5.421 -5.042 0.302 597 H HIS 81 H HIS 81 7.172 0.179 3.519 598 HA HIS 81 HA HIS 81 8.889 2.092 2.241 599 HB2 HIS 81 2HB HIS 81 8.348 1.790 5.214 600 HB3 HIS 81 1HB HIS 81 9.121 3.156 4.443 601 HD1 HIS 81 1HD HIS 81 7.530 5.121 3.713 602 HD2 HIS 81 2HD HIS 81 5.533 1.564 4.619 603 HE1 HIS 81 1HE HIS 81 5.110 5.656 3.712 604 H GLY 82 H GLY 82 10.737 1.449 1.697 605 HA2 GLY 82 2HA GLY 82 12.273 -0.688 2.490 606 HA3 GLY 82 1HA GLY 82 12.925 0.741 1.721 607 H ASN 83 H ASN 83 11.851 2.028 4.345 608 HA ASN 83 HA ASN 83 14.196 2.395 5.741 609 HB2 ASN 83 2HB ASN 83 12.301 3.858 6.036 610 HB3 ASN 83 1HB ASN 83 11.325 2.550 6.677 611 HD21 ASN 83 1HD2 ASN 83 13.862 4.865 7.375 612 HD22 ASN 83 2HD2 ASN 83 13.865 4.574 9.075 613 H GLU 84 H GLU 84 11.996 -0.339 5.916 614 HA GLU 84 HA GLU 84 12.852 -1.371 8.423 615 HB2 GLU 84 2HB GLU 84 11.656 -2.788 6.040 616 HB3 GLU 84 1HB GLU 84 11.846 -3.494 7.635 617 HG2 GLU 84 2HG GLU 84 10.121 -1.133 6.919 618 HG3 GLU 84 1HG GLU 84 9.570 -2.763 7.306 619 H GLU 85 H GLU 85 13.805 -2.168 5.072 620 HA GLU 85 HA GLU 85 16.482 -2.697 5.530 621 HB2 GLU 85 2HB GLU 85 15.176 -4.664 6.745 622 HB3 GLU 85 1HB GLU 85 14.949 -5.239 5.102 623 HG2 GLU 85 2HG GLU 85 17.639 -4.581 6.193 624 HG3 GLU 85 1HG GLU 85 16.893 -6.151 6.460 625 H GLN 86 H GLN 86 17.430 -3.321 3.386 626 HA GLN 86 HA GLN 86 15.840 -2.112 1.356 627 HB2 GLN 86 2HB GLN 86 18.691 -3.021 1.561 628 HB3 GLN 86 1HB GLN 86 17.992 -2.358 0.108 629 HG2 GLN 86 2HG GLN 86 19.257 -0.623 1.206 630 HG3 GLN 86 1HG GLN 86 17.562 -0.224 1.386 631 HE21 GLN 86 1HE2 GLN 86 16.647 -0.286 3.486 632 HE22 GLN 86 2HE2 GLN 86 17.621 -0.412 4.900 633 H LEU 87 H LEU 87 17.394 -5.087 2.073 634 HA LEU 87 HA LEU 87 16.921 -6.310 -0.480 635 HB2 LEU 87 2HB LEU 87 17.931 -7.480 2.086 636 HB3 LEU 87 1HB LEU 87 17.960 -8.280 0.524 637 HG LEU 87 HG LEU 87 19.300 -5.677 1.032 638 HD11 LEU 87 1HD1 LEU 87 20.241 -7.275 2.548 639 HD12 LEU 87 2HD1 LEU 87 21.404 -7.016 1.240 640 HD13 LEU 87 3HD1 LEU 87 20.412 -8.483 1.272 641 HD21 LEU 87 3HD2 LEU 87 19.637 -7.760 -1.118 642 HD22 LEU 87 1HD2 LEU 87 20.634 -6.312 -0.938 643 HD23 LEU 87 2HD2 LEU 87 18.914 -6.155 -1.276 644 H TYR 88 H TYR 88 15.360 -5.958 2.408 645 HA TYR 88 HA TYR 88 13.746 -8.206 2.633 646 HB2 TYR 88 2HB TYR 88 13.884 -6.709 4.428 647 HB3 TYR 88 1HB TYR 88 13.354 -5.334 3.454 648 HD1 TYR 88 2HD TYR 88 12.072 -8.750 4.151 649 HD2 TYR 88 1HD TYR 88 11.314 -4.586 4.132 650 HE1 TYR 88 2HE TYR 88 9.824 -9.195 4.925 651 HE2 TYR 88 1HE TYR 88 9.008 -4.996 4.953 652 HH TYR 88 HH TYR 88 7.420 -6.631 5.199 653 H ILE 89 H ILE 89 13.371 -5.259 0.753 654 HA ILE 89 HA ILE 89 10.747 -5.742 -0.164 655 HB ILE 89 HB ILE 89 13.037 -4.123 -1.236 656 HG12 ILE 89 2HG1 ILE 89 11.403 -2.206 -0.828 657 HG13 ILE 89 1HG1 ILE 89 10.385 -3.380 -0.015 658 HG21 ILE 89 1HG2 ILE 89 11.509 -3.156 -2.940 659 HG22 ILE 89 2HG2 ILE 89 10.274 -4.313 -2.413 660 HG23 ILE 89 3HG2 ILE 89 11.755 -4.899 -3.181 661 HD11 ILE 89 3HD1 ILE 89 12.262 -3.825 1.530 662 HD12 ILE 89 1HD1 ILE 89 11.620 -2.178 1.574 663 HD13 ILE 89 2HD1 ILE 89 13.142 -2.520 0.727 664 H ASP 90 H ASP 90 13.825 -6.693 -1.273 665 HA ASP 90 HA ASP 90 13.227 -7.887 -3.761 666 HB2 ASP 90 2HB ASP 90 15.421 -7.141 -2.907 667 HB3 ASP 90 1HB ASP 90 15.384 -8.441 -1.745 668 H THR 91 H THR 91 12.730 -8.827 -0.537 669 HA THR 91 HA THR 91 12.571 -11.683 -0.979 670 HB THR 91 HB THR 91 12.166 -9.915 1.424 671 HG1 THR 91 1HG THR 91 14.283 -11.478 0.433 672 HG21 THR 91 3HG2 THR 91 12.088 -11.921 2.754 673 HG22 THR 91 1HG2 THR 91 12.268 -12.925 1.277 674 HG23 THR 91 2HG2 THR 91 10.872 -11.856 1.465 675 H LEU 92 H LEU 92 10.400 -8.957 -0.207 676 HA LEU 92 HA LEU 92 8.002 -10.288 0.147 677 HB2 LEU 92 2HB LEU 92 8.676 -7.645 -0.972 678 HB3 LEU 92 1HB LEU 92 7.001 -8.174 -1.084 679 HG LEU 92 HG LEU 92 7.017 -6.792 0.740 680 HD11 LEU 92 1HD1 LEU 92 6.768 -8.092 2.725 681 HD12 LEU 92 2HD1 LEU 92 7.616 -9.408 1.933 682 HD13 LEU 92 3HD1 LEU 92 6.028 -8.898 1.323 683 HD21 LEU 92 3HD2 LEU 92 9.296 -6.287 0.957 684 HD22 LEU 92 1HD2 LEU 92 9.672 -7.923 1.521 685 HD23 LEU 92 2HD2 LEU 92 8.709 -6.848 2.522 686 H ARG 93 H ARG 93 9.536 -9.360 -2.796 687 HA ARG 93 HA ARG 93 7.791 -9.833 -4.841 688 HB2 ARG 93 2HB ARG 93 10.515 -11.094 -4.947 689 HB3 ARG 93 1HB ARG 93 9.602 -10.367 -6.257 690 HG2 ARG 93 2HG ARG 93 11.037 -8.991 -4.012 691 HG3 ARG 93 1HG ARG 93 11.391 -8.920 -5.740 692 HD2 ARG 93 2HD ARG 93 8.920 -8.069 -4.418 693 HD3 ARG 93 1HD ARG 93 10.226 -6.976 -4.771 694 HE ARG 93 HE ARG 93 9.914 -7.452 -7.187 695 HH11 ARG 93 1HH1 ARG 93 7.071 -8.210 -5.182 696 HH12 ARG 93 2HH1 ARG 93 5.999 -8.182 -6.511 697 HH21 ARG 93 1HH2 ARG 93 8.416 -7.338 -8.917 698 HH22 ARG 93 2HH2 ARG 93 6.761 -7.617 -8.665 699 H GLU 94 H GLU 94 9.474 -12.146 -2.940 700 HA GLU 94 HA GLU 94 8.926 -14.434 -4.591 701 HB2 GLU 94 2HB GLU 94 10.131 -14.267 -1.860 702 HB3 GLU 94 1HB GLU 94 10.268 -15.601 -3.001 703 HG2 GLU 94 2HG GLU 94 11.431 -14.115 -4.565 704 HG3 GLU 94 1HG GLU 94 11.268 -12.823 -3.369 705 H ALA 95 H ALA 95 7.718 -13.092 -1.635 706 HA ALA 95 HA ALA 95 6.121 -15.508 -1.235 707 HB1 ALA 95 1HB ALA 95 7.382 -14.631 0.707 708 HB2 ALA 95 2HB ALA 95 5.655 -14.800 1.007 709 HB3 ALA 95 3HB ALA 95 6.341 -13.207 0.685 710 H LEU 96 H LEU 96 5.774 -12.446 -2.299 711 HA LEU 96 HA LEU 96 2.832 -12.315 -2.050 712 HB2 LEU 96 2HB LEU 96 4.792 -10.497 -3.449 713 HB3 LEU 96 1HB LEU 96 3.061 -10.246 -3.398 714 HG LEU 96 HG LEU 96 4.914 -10.197 -1.009 715 HD11 LEU 96 1HD1 LEU 96 5.189 -8.284 -2.494 716 HD12 LEU 96 2HD1 LEU 96 4.427 -7.819 -0.973 717 HD13 LEU 96 3HD1 LEU 96 3.453 -7.984 -2.434 718 HD21 LEU 96 3HD2 LEU 96 2.978 -9.418 0.221 719 HD22 LEU 96 1HD2 LEU 96 2.672 -11.013 -0.455 720 HD23 LEU 96 2HD2 LEU 96 1.965 -9.587 -1.216 721 HA PRO 97 HA PRO 97 2.074 -14.419 -5.746 722 HB2 PRO 97 2HB PRO 97 -0.367 -13.359 -6.266 723 HB3 PRO 97 1HB PRO 97 -0.162 -14.672 -5.133 724 HG2 PRO 97 2HG PRO 97 -0.486 -11.763 -4.687 725 HG3 PRO 97 1HG PRO 97 -1.120 -13.108 -3.710 726 HD2 PRO 97 2HD PRO 97 1.017 -11.621 -2.962 727 HD3 PRO 97 1HD PRO 97 0.867 -13.338 -2.544 728 H ALA 98 H ALA 98 1.560 -13.907 -7.927 729 HA ALA 98 HA ALA 98 2.978 -11.632 -8.900 730 HB1 ALA 98 1HB ALA 98 2.316 -12.455 -11.108 731 HB2 ALA 98 2HB ALA 98 1.164 -13.547 -10.337 732 HB3 ALA 98 3HB ALA 98 2.897 -13.775 -10.086 733 H HIS 99 H HIS 99 -0.106 -12.084 -7.819 734 HA HIS 99 HA HIS 99 -1.571 -10.287 -9.498 735 HB2 HIS 99 2HB HIS 99 -2.460 -11.001 -6.720 736 HB3 HIS 99 1HB HIS 99 -3.427 -10.780 -8.168 737 HD1 HIS 99 1HD HIS 99 -2.194 -12.944 -10.019 738 HD2 HIS 99 2HD HIS 99 -2.935 -13.494 -5.977 739 HE1 HIS 99 1HE HIS 99 -2.174 -15.446 -9.610 740 H VAL 100 H VAL 100 0.402 -10.003 -6.484 741 HA VAL 100 HA VAL 100 -0.586 -7.337 -6.155 742 HB VAL 100 HB VAL 100 0.882 -9.261 -4.369 743 HG11 VAL 100 1HG1 VAL 100 -0.192 -6.525 -3.808 744 HG12 VAL 100 2HG1 VAL 100 1.501 -7.004 -4.011 745 HG13 VAL 100 3HG1 VAL 100 0.575 -7.617 -2.623 746 HG21 VAL 100 3HG2 VAL 100 -1.500 -9.765 -4.847 747 HG22 VAL 100 1HG2 VAL 100 -1.939 -8.223 -4.141 748 HG23 VAL 100 2HG2 VAL 100 -1.178 -9.487 -3.149 749 H ALA 101 H ALA 101 0.751 -5.762 -6.459 750 HA ALA 101 HA ALA 101 3.508 -6.335 -7.312 751 HB1 ALA 101 1HB ALA 101 3.448 -4.145 -8.398 752 HB2 ALA 101 2HB ALA 101 1.833 -3.866 -7.751 753 HB3 ALA 101 3HB ALA 101 2.096 -5.150 -8.930 754 H ILE 102 H ILE 102 5.028 -4.486 -6.745 755 HA ILE 102 HA ILE 102 4.507 -3.590 -4.006 756 HB ILE 102 HB ILE 102 7.103 -4.564 -5.174 757 HG12 ILE 102 2HG1 ILE 102 5.475 -5.629 -2.856 758 HG13 ILE 102 1HG1 ILE 102 5.670 -6.397 -4.431 759 HG21 ILE 102 1HG2 ILE 102 8.044 -4.037 -2.875 760 HG22 ILE 102 2HG2 ILE 102 6.537 -3.081 -2.639 761 HG23 ILE 102 3HG2 ILE 102 7.619 -2.707 -3.964 762 HD11 ILE 102 3HD1 ILE 102 7.727 -6.025 -2.286 763 HD12 ILE 102 1HD1 ILE 102 8.137 -6.394 -3.954 764 HD13 ILE 102 2HD1 ILE 102 7.189 -7.534 -3.050 765 H TRP 103 H TRP 103 4.856 -1.508 -3.728 766 HA TRP 103 HA TRP 103 6.422 -0.197 -5.837 767 HB2 TRP 103 2HB TRP 103 4.087 1.030 -4.382 768 HB3 TRP 103 1HB TRP 103 5.099 1.848 -5.565 769 HD1 TRP 103 HD TRP 103 4.743 -1.101 -7.378 770 HE1 TRP 103 1HE TRP 103 2.663 -1.184 -8.851 771 HE3 TRP 103 3HE TRP 103 2.164 2.531 -5.092 772 HZ2 TRP 103 2HZ TRP 103 0.178 0.177 -8.999 773 HZ3 TRP 103 3HZ TRP 103 -0.107 3.144 -5.928 774 HH2 TRP 103 HH TRP 103 -1.076 1.985 -7.827 775 H LYS 104 H LYS 104 7.473 1.683 -5.128 776 HA LYS 104 HA LYS 104 8.504 1.255 -2.427 777 HB2 LYS 104 2HB LYS 104 9.959 1.124 -4.514 778 HB3 LYS 104 1HB LYS 104 9.707 2.837 -4.707 779 HG2 LYS 104 2HG LYS 104 10.962 1.649 -2.233 780 HG3 LYS 104 1HG LYS 104 11.892 2.086 -3.656 781 HD2 LYS 104 2HD LYS 104 10.211 3.966 -1.993 782 HD3 LYS 104 1HD LYS 104 11.963 3.823 -1.917 783 HE2 LYS 104 2HE LYS 104 10.312 4.772 -4.267 784 HE3 LYS 104 1HE LYS 104 11.371 5.738 -3.253 785 HZ1 LYS 104 3HZ LYS 104 12.196 3.653 -5.213 786 HZ2 LYS 104 1HZ LYS 104 13.253 4.310 -4.086 787 HZ3 LYS 104 2HZ LYS 104 12.549 5.286 -5.223 788 H ALA 105 H ALA 105 7.508 2.475 -1.017 789 HA ALA 105 HA ALA 105 6.286 4.965 -1.583 790 HB1 ALA 105 1HB ALA 105 6.118 5.173 0.875 791 HB2 ALA 105 2HB ALA 105 7.166 3.766 1.053 792 HB3 ALA 105 3HB ALA 105 5.573 3.595 0.314 793 H LEU 106 H LEU 106 7.379 6.643 -2.154 794 HA LEU 106 HA LEU 106 10.187 6.818 -1.769 795 HB2 LEU 106 2HB LEU 106 9.027 7.463 -3.835 796 HB3 LEU 106 1HB LEU 106 8.256 8.770 -2.974 797 HG LEU 106 HG LEU 106 10.578 9.686 -2.533 798 HD11 LEU 106 1HD1 LEU 106 12.317 8.968 -4.144 799 HD12 LEU 106 2HD1 LEU 106 11.268 7.606 -4.582 800 HD13 LEU 106 3HD1 LEU 106 11.893 7.753 -2.940 801 HD21 LEU 106 3HD2 LEU 106 9.065 10.651 -4.182 802 HD22 LEU 106 1HD2 LEU 106 9.626 9.491 -5.384 803 HD23 LEU 106 2HD2 LEU 106 10.735 10.706 -4.747 804 H SER 107 H SER 107 10.510 7.094 0.433 805 HA SER 107 HA SER 107 9.636 9.427 1.810 806 HB2 SER 107 2HB SER 107 12.111 7.702 2.251 807 HB3 SER 107 1HB SER 107 11.396 8.804 3.429 808 HG SER 107 HG SER 107 9.405 7.309 2.937 809 H VAL 108 H VAL 108 11.471 11.152 2.437 810 HA VAL 108 HA VAL 108 12.109 12.605 0.249 811 HB VAL 108 HB VAL 108 13.889 13.772 1.624 812 HG11 VAL 108 1HG1 VAL 108 11.583 14.502 1.670 813 HG12 VAL 108 2HG1 VAL 108 12.281 14.632 3.285 814 HG13 VAL 108 3HG1 VAL 108 11.199 13.296 2.897 815 HG21 VAL 108 3HG2 VAL 108 14.074 13.162 4.003 816 HG22 VAL 108 1HG2 VAL 108 14.655 11.866 2.955 817 HG23 VAL 108 2HG2 VAL 108 13.067 11.742 3.709 818 H GLY 109 H GLY 109 13.262 12.486 -1.398 819 HA2 GLY 109 2HA GLY 109 14.436 10.276 -2.444 820 HA3 GLY 109 1HA GLY 109 14.757 11.937 -2.922 821 H GLU 110 H GLU 110 16.177 12.986 -1.335 822 HA GLU 110 HA GLU 110 18.689 11.809 -1.952 823 HB2 GLU 110 2HB GLU 110 18.117 14.345 -0.463 824 HB3 GLU 110 1HB GLU 110 19.720 13.824 -0.960 825 HG2 GLU 110 2HG GLU 110 18.986 13.847 -3.296 826 HG3 GLU 110 1HG GLU 110 17.401 14.417 -2.776 827 H THR 111 H THR 111 16.840 11.119 0.767 828 HA THR 111 HA THR 111 19.273 10.781 2.307 829 HB THR 111 HB THR 111 17.094 11.564 3.457 830 HG1 THR 111 1HG THR 111 19.070 10.102 4.307 831 HG21 THR 111 3HG2 THR 111 15.558 9.906 2.484 832 HG22 THR 111 1HG2 THR 111 15.576 9.794 4.243 833 HG23 THR 111 2HG2 THR 111 16.454 8.609 3.274 834 H LEU 112 H LEU 112 17.564 9.132 0.015 835 HA LEU 112 HA LEU 112 18.580 6.561 0.925 836 HB2 LEU 112 2HB LEU 112 16.617 7.178 -1.303 837 HB3 LEU 112 1HB LEU 112 17.254 5.590 -0.954 838 HG LEU 112 HG LEU 112 15.115 5.576 -0.096 839 HD11 LEU 112 1HD1 LEU 112 16.921 6.167 2.214 840 HD12 LEU 112 2HD1 LEU 112 16.633 4.608 1.451 841 HD13 LEU 112 3HD1 LEU 112 15.332 5.412 2.334 842 HD21 LEU 112 3HD2 LEU 112 14.167 7.309 1.390 843 HD22 LEU 112 1HD2 LEU 112 14.573 7.921 -0.217 844 HD23 LEU 112 2HD2 LEU 112 15.635 8.265 1.144 845 HA PRO 113 HA PRO 113 21.924 6.808 -2.078 846 HB2 PRO 113 2HB PRO 113 21.464 3.884 -2.343 847 HB3 PRO 113 1HB PRO 113 22.950 4.747 -1.932 848 HG2 PRO 113 2HG PRO 113 21.604 3.405 -0.076 849 HG3 PRO 113 1HG PRO 113 22.370 4.960 0.295 850 HD2 PRO 113 2HD PRO 113 19.488 4.339 -0.197 851 HD3 PRO 113 1HD PRO 113 20.233 5.454 0.966 852 H ALA 114 H ALA 114 22.290 6.267 -4.393 853 HA ALA 114 HA ALA 114 20.062 6.807 -5.981 854 HB1 ALA 114 1HB ALA 114 22.628 5.523 -6.860 855 HB2 ALA 114 2HB ALA 114 22.375 7.259 -6.651 856 HB3 ALA 114 3HB ALA 114 21.471 6.375 -7.884 857 H ARG 115 H ARG 115 21.611 3.763 -5.195 858 HA ARG 115 HA ARG 115 19.205 2.452 -6.217 859 HB2 ARG 115 2HB ARG 115 21.977 1.254 -5.984 860 HB3 ARG 115 1HB ARG 115 20.497 0.376 -6.374 861 HG2 ARG 115 2HG ARG 115 21.740 2.566 -8.037 862 HG3 ARG 115 1HG ARG 115 21.778 0.839 -8.396 863 HD2 ARG 115 2HD ARG 115 19.325 0.824 -8.564 864 HD3 ARG 115 1HD ARG 115 19.299 2.547 -8.195 865 HE ARG 115 HE ARG 115 20.746 1.582 -10.540 866 HH11 ARG 115 1HH1 ARG 115 18.039 3.465 -9.198 867 HH12 ARG 115 2HH1 ARG 115 17.697 4.259 -10.667 868 HH21 ARG 115 1HH2 ARG 115 20.243 2.636 -12.526 869 HH22 ARG 115 2HH2 ARG 115 18.997 3.776 -12.638 870 H GLU 116 H GLU 116 17.986 1.722 -4.796 871 HA GLU 116 HA GLU 116 19.054 1.190 -2.144 872 HB2 GLU 116 2HB GLU 116 16.691 2.369 -1.521 873 HB3 GLU 116 1HB GLU 116 18.252 3.161 -1.504 874 HG2 GLU 116 2HG GLU 116 16.617 4.579 -2.605 875 HG3 GLU 116 1HG GLU 116 17.824 4.056 -3.761 876 H PHE 117 H PHE 117 16.029 1.087 -3.927 877 HA PHE 117 HA PHE 117 15.562 -1.568 -2.761 878 HB2 PHE 117 2HB PHE 117 13.391 0.499 -3.193 879 HB3 PHE 117 1HB PHE 117 13.255 -1.039 -2.340 880 HD1 PHE 117 1HD PHE 117 14.868 -1.322 -0.318 881 HD2 PHE 117 2HD PHE 117 13.718 2.416 -1.960 882 HE1 PHE 117 1HE PHE 117 15.521 -0.210 1.764 883 HE2 PHE 117 2HE PHE 117 14.369 3.546 0.117 884 HZ PHE 117 HZ PHE 117 15.289 2.233 1.984 885 H GLN 118 H GLN 118 16.019 -2.655 -4.497 886 HA GLN 118 HA GLN 118 14.909 -1.800 -7.045 887 HB2 GLN 118 2HB GLN 118 16.354 -3.532 -8.061 888 HB3 GLN 118 1HB GLN 118 17.268 -2.348 -7.139 889 HG2 GLN 118 2HG GLN 118 17.392 -3.959 -5.269 890 HG3 GLN 118 1HG GLN 118 16.519 -5.117 -6.280 891 HE21 GLN 118 1HE2 GLN 118 17.900 -4.451 -8.749 892 HE22 GLN 118 2HE2 GLN 118 19.488 -5.068 -8.570 893 H HIS 119 H HIS 119 14.092 -3.546 -8.442 894 HA HIS 119 HA HIS 119 12.709 -5.127 -8.973 895 HB2 HIS 119 2HB HIS 119 13.255 -6.263 -6.218 896 HB3 HIS 119 1HB HIS 119 12.242 -7.086 -7.401 897 HD1 HIS 119 1HD HIS 119 15.500 -7.552 -6.212 898 HD2 HIS 119 2HD HIS 119 13.963 -6.936 -10.039 899 HE1 HIS 119 1HE HIS 119 17.256 -8.294 -7.797 900 H VAL 120 H VAL 120 11.994 -2.655 -7.510 901 HA VAL 120 HA VAL 120 9.299 -3.293 -6.589 902 HB VAL 120 HB VAL 120 9.040 -0.925 -6.067 903 HG11 VAL 120 1HG1 VAL 120 10.067 -2.292 -4.378 904 HG12 VAL 120 2HG1 VAL 120 10.793 -0.684 -4.339 905 HG13 VAL 120 3HG1 VAL 120 11.657 -2.025 -5.085 906 HG21 VAL 120 3HG2 VAL 120 10.299 0.063 -7.896 907 HG22 VAL 120 1HG2 VAL 120 11.814 -0.539 -7.219 908 HG23 VAL 120 2HG2 VAL 120 10.882 0.690 -6.359 909 H ASP 121 H ASP 121 7.469 -2.508 -7.586 910 HA ASP 121 HA ASP 121 7.736 -2.609 -10.465 911 HB2 ASP 121 2HB ASP 121 5.948 -3.891 -9.493 912 HB3 ASP 121 1HB ASP 121 5.292 -2.475 -8.694 913 H LYS 122 H LYS 122 6.739 -0.220 -8.114 914 HA LYS 122 HA LYS 122 7.054 1.898 -10.077 915 HB2 LYS 122 2HB LYS 122 4.665 1.193 -10.303 916 HB3 LYS 122 1HB LYS 122 4.454 1.463 -8.578 917 HG2 LYS 122 2HG LYS 122 4.794 3.840 -8.887 918 HG3 LYS 122 1HG LYS 122 5.053 3.589 -10.616 919 HD2 LYS 122 2HD LYS 122 2.508 2.969 -9.107 920 HD3 LYS 122 1HD LYS 122 2.792 4.382 -10.125 921 HE2 LYS 122 2HE LYS 122 3.195 2.879 -12.038 922 HE3 LYS 122 1HE LYS 122 2.794 1.506 -11.016 923 HZ1 LYS 122 3HZ LYS 122 0.972 2.245 -12.417 924 HZ2 LYS 122 1HZ LYS 122 0.940 3.731 -11.671 925 HZ3 LYS 122 2HZ LYS 122 0.524 2.362 -10.796 926 H TYR 123 H TYR 123 6.968 3.993 -8.954 927 HA TYR 123 HA TYR 123 7.339 3.756 -6.047 928 HB2 TYR 123 2HB TYR 123 9.171 5.275 -5.969 929 HB3 TYR 123 1HB TYR 123 9.533 4.282 -7.376 930 HD1 TYR 123 1HD TYR 123 9.348 5.282 -9.625 931 HD2 TYR 123 2HD TYR 123 8.631 7.518 -6.104 932 HE1 TYR 123 1HE TYR 123 9.546 7.344 -10.906 933 HE2 TYR 123 2HE TYR 123 8.808 9.574 -7.326 934 HH TYR 123 HH TYR 123 9.952 10.315 -9.379 935 H VAL 124 H VAL 124 6.322 5.211 -4.819 936 HA VAL 124 HA VAL 124 4.833 7.333 -6.162 937 HB VAL 124 HB VAL 124 2.849 6.856 -4.705 938 HG11 VAL 124 1HG1 VAL 124 3.585 4.589 -6.550 939 HG12 VAL 124 2HG1 VAL 124 2.816 6.105 -7.016 940 HG13 VAL 124 3HG1 VAL 124 1.956 4.962 -5.983 941 HG21 VAL 124 3HG2 VAL 124 2.620 4.650 -3.640 942 HG22 VAL 124 1HG2 VAL 124 3.960 5.573 -2.956 943 HG23 VAL 124 2HG2 VAL 124 4.280 4.267 -4.096 944 H LEU 125 H LEU 125 4.008 8.884 -4.434 945 HA LEU 125 HA LEU 125 6.241 9.487 -2.806 946 HB2 LEU 125 2HB LEU 125 4.873 11.394 -1.928 947 HB3 LEU 125 1HB LEU 125 5.068 11.367 -3.661 948 HG LEU 125 HG LEU 125 2.707 10.411 -3.782 949 HD11 LEU 125 1HD1 LEU 125 2.580 11.338 -0.917 950 HD12 LEU 125 2HD1 LEU 125 2.449 9.671 -1.475 951 HD13 LEU 125 3HD1 LEU 125 1.207 10.846 -1.908 952 HD21 LEU 125 3HD2 LEU 125 3.093 13.178 -2.662 953 HD22 LEU 125 1HD2 LEU 125 1.665 12.606 -3.522 954 HD23 LEU 125 2HD2 LEU 125 3.216 12.703 -4.357 955 H ASP 126 H ASP 126 6.489 9.521 -0.592 956 HA ASP 126 HA ASP 126 5.477 7.318 0.815 957 HB2 ASP 126 2HB ASP 126 7.590 8.567 1.351 958 HB3 ASP 126 1HB ASP 126 6.604 9.876 1.982 959 H ASN 127 H ASN 127 3.555 7.027 1.656 960 HA ASN 127 HA ASN 127 1.607 9.096 1.598 961 HB2 ASN 127 2HB ASN 127 1.403 6.212 2.421 962 HB3 ASN 127 1HB ASN 127 0.039 7.317 2.454 963 HD21 ASN 127 1HD2 ASN 127 -0.825 8.068 0.502 964 HD22 ASN 127 2HD2 ASN 127 -0.431 7.288 -1.002 965 H GLY 128 H GLY 128 3.870 8.911 3.783 966 HA2 GLY 128 2HA GLY 128 2.475 9.169 6.218 967 HA3 GLY 128 1HA GLY 128 4.034 9.911 5.836 968 H GLN 129 H GLN 129 3.042 11.242 3.494 969 HA GLN 129 HA GLN 129 1.683 13.466 4.782 970 HB2 GLN 129 2HB GLN 129 2.944 13.288 2.035 971 HB3 GLN 129 1HB GLN 129 2.250 14.739 2.746 972 HG2 GLN 129 2HG GLN 129 4.706 13.253 3.651 973 HG3 GLN 129 1HG GLN 129 4.623 14.862 2.940 974 HE21 GLN 129 1HE2 GLN 129 3.851 16.578 4.211 975 HE22 GLN 129 2HE2 GLN 129 3.779 16.458 5.923 976 H GLY 130 H GLY 130 -0.411 13.578 4.641 977 HA2 GLY 130 2HA GLY 130 -2.552 13.418 3.766 978 HA3 GLY 130 1HA GLY 130 -1.850 12.859 2.250 979 H GLY 131 H GLY 131 -1.407 11.546 5.478 980 HA2 GLY 131 2HA GLY 131 -3.248 9.474 5.355 981 HA3 GLY 131 1HA GLY 131 -1.733 8.887 4.676 982 H ALA 132 H ALA 132 0.064 8.720 5.934 983 HA ALA 132 HA ALA 132 1.337 8.284 7.737 984 HB1 ALA 132 1HB ALA 132 1.142 9.601 9.762 985 HB2 ALA 132 2HB ALA 132 -0.474 10.130 9.299 986 HB3 ALA 132 3HB ALA 132 0.926 10.642 8.357 987 H GLY 133 H GLY 133 1.444 6.413 8.644 988 HA2 GLY 133 2HA GLY 133 -0.856 5.449 10.208 989 HA3 GLY 133 1HA GLY 133 -0.226 4.444 8.908 990 H SER 134 H SER 134 2.532 4.982 9.303 991 HA SER 134 HA SER 134 3.387 4.557 11.919 992 HB2 SER 134 2HB SER 134 2.288 2.292 11.415 993 HB3 SER 134 1HB SER 134 3.462 2.093 10.119 994 HG SER 134 HG SER 134 4.461 2.720 12.621 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -1.742 10.812 -11.863 2 H2 MET 1 2HT MET 1 -3.119 9.835 -11.812 3 H3 MET 1 3HT MET 1 -2.913 11.054 -10.667 4 HA MET 1 HA MET 1 -3.072 12.736 -12.357 5 HB2 MET 1 2HB MET 1 -2.199 11.384 -14.241 6 HB3 MET 1 1HB MET 1 -3.646 10.391 -14.200 7 HG2 MET 1 2HG MET 1 -3.774 11.976 -16.013 8 HG3 MET 1 1HG MET 1 -4.992 12.351 -14.796 9 HE1 MET 1 2HE MET 1 -4.047 15.893 -16.162 10 HE2 MET 1 3HE MET 1 -5.356 14.752 -15.843 11 HE3 MET 1 1HE MET 1 -4.154 14.390 -17.080 12 H GLY 2 H GLY 2 -5.178 9.878 -12.882 13 HA2 GLY 2 2HA GLY 2 -7.501 11.461 -12.333 14 HA3 GLY 2 1HA GLY 2 -7.449 9.720 -12.636 15 H GLU 3 H GLU 3 -7.324 12.194 -10.270 16 HA GLU 3 HA GLU 3 -6.536 10.447 -8.160 17 HB2 GLU 3 2HB GLU 3 -7.738 13.216 -7.992 18 HB3 GLU 3 1HB GLU 3 -6.951 12.333 -6.689 19 HG2 GLU 3 2HG GLU 3 -5.602 13.273 -9.222 20 HG3 GLU 3 1HG GLU 3 -5.488 14.070 -7.656 21 H ASN 4 H ASN 4 -7.767 9.038 -7.262 22 HA ASN 4 HA ASN 4 -10.516 9.537 -6.589 23 HB2 ASN 4 2HB ASN 4 -11.380 7.432 -7.603 24 HB3 ASN 4 1HB ASN 4 -10.750 8.465 -8.862 25 HD21 ASN 4 1HD2 ASN 4 -8.021 7.866 -8.723 26 HD22 ASN 4 2HD2 ASN 4 -7.772 6.205 -9.089 27 H LYS 5 H LYS 5 -8.094 9.442 -5.351 28 HA LYS 5 HA LYS 5 -7.447 6.868 -4.293 29 HB2 LYS 5 2HB LYS 5 -6.507 9.640 -3.570 30 HB3 LYS 5 1HB LYS 5 -5.848 8.156 -2.896 31 HG2 LYS 5 2HG LYS 5 -4.984 7.480 -5.003 32 HG3 LYS 5 1HG LYS 5 -5.865 8.759 -5.839 33 HD2 LYS 5 2HD LYS 5 -4.523 10.449 -4.707 34 HD3 LYS 5 1HD LYS 5 -3.678 9.188 -3.808 35 HE2 LYS 5 2HE LYS 5 -2.662 8.347 -5.795 36 HE3 LYS 5 1HE LYS 5 -3.688 9.358 -6.811 37 HZ1 LYS 5 3HZ LYS 5 -2.635 11.270 -6.059 38 HZ2 LYS 5 1HZ LYS 5 -1.400 10.229 -6.523 39 HZ3 LYS 5 2HZ LYS 5 -1.726 10.469 -4.875 40 H VAL 6 H VAL 6 -8.628 5.932 -2.830 41 HA VAL 6 HA VAL 6 -10.381 7.420 -1.102 42 HB VAL 6 HB VAL 6 -9.945 4.477 -1.334 43 HG11 VAL 6 1HG1 VAL 6 -12.207 4.273 -0.360 44 HG12 VAL 6 2HG1 VAL 6 -12.254 6.027 -0.165 45 HG13 VAL 6 3HG1 VAL 6 -11.068 5.071 0.726 46 HG21 VAL 6 3HG2 VAL 6 -11.975 6.183 -2.754 47 HG22 VAL 6 1HG2 VAL 6 -11.953 4.421 -2.766 48 HG23 VAL 6 2HG2 VAL 6 -10.621 5.329 -3.487 49 H CYS 7 H CYS 7 -9.610 8.126 0.786 50 HA CYS 7 HA CYS 7 -7.826 6.426 2.386 51 HB2 CYS 7 2HB CYS 7 -7.765 8.453 3.905 52 HB3 CYS 7 1HB CYS 7 -7.137 8.790 2.298 53 HG CYS 7 HG CYS 7 -8.763 10.685 1.699 54 H GLY 8 H GLY 8 -8.737 6.458 4.938 55 HA2 GLY 8 2HA GLY 8 -10.602 4.614 5.092 56 HA3 GLY 8 1HA GLY 8 -10.402 5.840 6.319 57 H LEU 9 H LEU 9 -12.423 4.383 4.170 58 HA LEU 9 HA LEU 9 -14.485 6.397 4.491 59 HB2 LEU 9 2HB LEU 9 -13.063 6.117 2.175 60 HB3 LEU 9 1HB LEU 9 -14.333 4.941 1.922 61 HG LEU 9 HG LEU 9 -14.932 7.012 0.871 62 HD11 LEU 9 1HD1 LEU 9 -17.007 7.554 2.047 63 HD12 LEU 9 2HD1 LEU 9 -16.516 6.466 3.350 64 HD13 LEU 9 3HD1 LEU 9 -16.787 5.837 1.721 65 HD21 LEU 9 3HD2 LEU 9 -14.580 8.278 3.581 66 HD22 LEU 9 1HD2 LEU 9 -15.253 9.061 2.153 67 HD23 LEU 9 2HD2 LEU 9 -13.570 8.535 2.158 68 H THR 10 H THR 10 -16.422 5.334 4.953 69 HA THR 10 HA THR 10 -16.382 2.411 4.669 70 HB THR 10 HB THR 10 -15.622 3.011 6.975 71 HG1 THR 10 1HG THR 10 -16.941 1.099 6.473 72 HG21 THR 10 3HG2 THR 10 -16.882 5.083 7.289 73 HG22 THR 10 1HG2 THR 10 -17.233 3.946 8.591 74 HG23 THR 10 2HG2 THR 10 -18.397 4.181 7.286 75 H ARG 11 H ARG 11 -17.712 4.865 3.558 76 HA ARG 11 HA ARG 11 -20.532 4.164 3.986 77 HB2 ARG 11 2HB ARG 11 -19.318 6.552 2.658 78 HB3 ARG 11 1HB ARG 11 -21.008 6.369 3.084 79 HG2 ARG 11 2HG ARG 11 -20.450 6.532 5.398 80 HG3 ARG 11 1HG ARG 11 -18.720 6.561 5.019 81 HD2 ARG 11 2HD ARG 11 -19.158 8.585 3.614 82 HD3 ARG 11 1HD ARG 11 -20.797 8.595 4.257 83 HE ARG 11 HE ARG 11 -19.487 8.648 6.480 84 HH11 ARG 11 1HH1 ARG 11 -18.671 10.418 3.450 85 HH12 ARG 11 2HH1 ARG 11 -17.947 11.713 4.257 86 HH21 ARG 11 1HH2 ARG 11 -18.452 10.490 7.552 87 HH22 ARG 11 2HH2 ARG 11 -17.864 11.789 6.607 88 H GLY 12 H GLY 12 -21.115 2.779 2.440 89 HA2 GLY 12 2HA GLY 12 -19.851 1.995 0.089 90 HA3 GLY 12 1HA GLY 12 -21.577 1.864 0.466 91 H GLN 13 H GLN 13 -22.255 4.441 0.553 92 HA GLN 13 HA GLN 13 -22.629 4.897 -2.249 93 HB2 GLN 13 2HB GLN 13 -23.879 6.022 0.237 94 HB3 GLN 13 1HB GLN 13 -24.167 6.765 -1.327 95 HG2 GLN 13 2HG GLN 13 -25.982 5.250 -0.731 96 HG3 GLN 13 1HG GLN 13 -25.140 4.696 -2.163 97 HE21 GLN 13 1HE2 GLN 13 -23.927 4.132 1.131 98 HE22 GLN 13 2HE2 GLN 13 -24.241 2.442 1.128 99 H ASP 14 H ASP 14 -20.696 6.088 0.186 100 HA ASP 14 HA ASP 14 -20.071 8.638 -1.093 101 HB2 ASP 14 2HB ASP 14 -20.079 8.076 1.427 102 HB3 ASP 14 1HB ASP 14 -18.604 7.217 1.093 103 H ALA 15 H ALA 15 -18.608 5.527 -0.356 104 HA ALA 15 HA ALA 15 -16.086 5.809 -1.488 105 HB1 ALA 15 1HB ALA 15 -16.677 4.026 0.054 106 HB2 ALA 15 2HB ALA 15 -16.053 3.320 -1.443 107 HB3 ALA 15 3HB ALA 15 -17.789 3.346 -1.114 108 H LYS 16 H LYS 16 -19.139 4.874 -2.922 109 HA LYS 16 HA LYS 16 -18.059 3.972 -5.324 110 HB2 LYS 16 2HB LYS 16 -20.305 4.058 -6.305 111 HB3 LYS 16 1HB LYS 16 -20.273 3.262 -4.756 112 HG2 LYS 16 2HG LYS 16 -22.200 4.492 -4.576 113 HG3 LYS 16 1HG LYS 16 -21.041 5.601 -3.864 114 HD2 LYS 16 2HD LYS 16 -22.508 6.823 -5.367 115 HD3 LYS 16 1HD LYS 16 -20.885 6.772 -6.059 116 HE2 LYS 16 2HE LYS 16 -21.519 5.062 -7.611 117 HE3 LYS 16 1HE LYS 16 -23.067 4.819 -6.815 118 HZ1 LYS 16 3HZ LYS 16 -22.229 7.238 -8.332 119 HZ2 LYS 16 1HZ LYS 16 -23.700 7.056 -7.516 120 HZ3 LYS 16 2HZ LYS 16 -23.330 6.065 -8.812 121 H ALA 17 H ALA 17 -18.438 7.174 -4.247 122 HA ALA 17 HA ALA 17 -18.579 8.455 -6.751 123 HB1 ALA 17 1HB ALA 17 -19.012 9.622 -4.639 124 HB2 ALA 17 2HB ALA 17 -17.774 10.447 -5.589 125 HB3 ALA 17 3HB ALA 17 -17.310 9.462 -4.201 126 H ALA 18 H ALA 18 -15.855 7.024 -5.019 127 HA ALA 18 HA ALA 18 -13.881 8.224 -6.734 128 HB1 ALA 18 1HB ALA 18 -13.729 5.936 -4.790 129 HB2 ALA 18 2HB ALA 18 -13.369 7.623 -4.433 130 HB3 ALA 18 3HB ALA 18 -12.333 6.712 -5.545 131 H TYR 19 H TYR 19 -15.594 5.210 -6.478 132 HA TYR 19 HA TYR 19 -14.311 3.941 -8.651 133 HB2 TYR 19 2HB TYR 19 -15.248 2.338 -7.430 134 HB3 TYR 19 1HB TYR 19 -16.462 3.390 -6.759 135 HD1 TYR 19 2HD TYR 19 -15.532 1.115 -9.451 136 HD2 TYR 19 1HD TYR 19 -18.687 3.367 -7.780 137 HE1 TYR 19 2HE TYR 19 -17.130 -0.133 -10.852 138 HE2 TYR 19 1HE TYR 19 -20.322 2.130 -9.153 139 HH TYR 19 HH TYR 19 -20.314 0.853 -11.264 140 H ASP 20 H ASP 20 -17.014 5.994 -8.278 141 HA ASP 20 HA ASP 20 -18.053 6.016 -10.905 142 HB2 ASP 20 2HB ASP 20 -19.199 7.044 -8.965 143 HB3 ASP 20 1HB ASP 20 -17.936 8.261 -8.879 144 H ALA 21 H ALA 21 -15.391 7.670 -9.340 145 HA ALA 21 HA ALA 21 -14.833 9.515 -11.422 146 HB1 ALA 21 1HB ALA 21 -12.742 9.941 -10.268 147 HB2 ALA 21 2HB ALA 21 -12.947 8.471 -9.318 148 HB3 ALA 21 3HB ALA 21 -14.050 9.819 -9.086 149 H GLY 22 H GLY 22 -13.981 6.161 -10.923 150 HA2 GLY 22 2HA GLY 22 -13.451 5.751 -13.572 151 HA3 GLY 22 1HA GLY 22 -11.906 6.161 -12.851 152 H ALA 23 H ALA 23 -13.023 4.807 -10.241 153 HA ALA 23 HA ALA 23 -12.792 2.805 -9.229 154 HB1 ALA 23 1HB ALA 23 -14.599 2.112 -10.816 155 HB2 ALA 23 2HB ALA 23 -13.522 0.787 -10.362 156 HB3 ALA 23 3HB ALA 23 -13.348 1.571 -11.935 157 H ILE 24 H ILE 24 -10.693 4.210 -10.413 158 HA ILE 24 HA ILE 24 -8.929 2.616 -11.928 159 HB ILE 24 HB ILE 24 -8.259 5.046 -10.272 160 HG12 ILE 24 2HG1 ILE 24 -9.318 4.974 -13.114 161 HG13 ILE 24 1HG1 ILE 24 -10.238 5.491 -11.711 162 HG21 ILE 24 1HG2 ILE 24 -6.322 3.851 -11.154 163 HG22 ILE 24 2HG2 ILE 24 -6.511 5.401 -11.972 164 HG23 ILE 24 3HG2 ILE 24 -7.002 3.914 -12.779 165 HD11 ILE 24 3HD1 ILE 24 -8.679 7.345 -11.377 166 HD12 ILE 24 1HD1 ILE 24 -9.429 7.397 -12.970 167 HD13 ILE 24 2HD1 ILE 24 -7.765 6.833 -12.795 168 H TYR 25 H TYR 25 -8.680 3.901 -8.684 169 HA TYR 25 HA TYR 25 -7.845 1.615 -7.329 170 HB2 TYR 25 2HB TYR 25 -5.600 1.386 -7.664 171 HB3 TYR 25 1HB TYR 25 -5.842 2.347 -9.112 172 HD1 TYR 25 2HD TYR 25 -5.206 4.725 -9.124 173 HD2 TYR 25 1HD TYR 25 -4.639 2.214 -5.779 174 HE1 TYR 25 2HE TYR 25 -3.730 6.405 -8.136 175 HE2 TYR 25 1HE TYR 25 -3.240 3.798 -4.753 176 HH TYR 25 HH TYR 25 -1.751 5.718 -5.441 177 H GLY 26 H GLY 26 -7.269 2.045 -5.194 178 HA2 GLY 26 2HA GLY 26 -7.592 4.839 -4.413 179 HA3 GLY 26 1HA GLY 26 -8.492 3.556 -3.592 180 H GLY 27 H GLY 27 -6.222 5.447 -2.747 181 HA2 GLY 27 2HA GLY 27 -4.266 3.404 -1.996 182 HA3 GLY 27 1HA GLY 27 -3.929 5.124 -2.142 183 H LEU 28 H LEU 28 -5.598 2.692 -0.239 184 HA LEU 28 HA LEU 28 -5.650 4.616 1.879 185 HB2 LEU 28 2HB LEU 28 -7.320 3.051 3.033 186 HB3 LEU 28 1HB LEU 28 -7.896 4.032 1.721 187 HG LEU 28 HG LEU 28 -8.921 1.805 1.784 188 HD11 LEU 28 1HD1 LEU 28 -7.266 2.107 -0.694 189 HD12 LEU 28 2HD1 LEU 28 -8.725 3.007 -0.312 190 HD13 LEU 28 3HD1 LEU 28 -8.812 1.261 -0.510 191 HD21 LEU 28 3HD2 LEU 28 -7.674 -0.210 1.190 192 HD22 LEU 28 1HD2 LEU 28 -7.059 0.512 2.681 193 HD23 LEU 28 2HD2 LEU 28 -6.174 0.720 1.163 194 H ILE 29 H ILE 29 -5.133 3.986 3.848 195 HA ILE 29 HA ILE 29 -3.167 1.873 3.708 196 HB ILE 29 HB ILE 29 -2.063 2.961 5.734 197 HG12 ILE 29 2HG1 ILE 29 -3.479 5.350 4.497 198 HG13 ILE 29 1HG1 ILE 29 -3.807 4.700 6.099 199 HG21 ILE 29 1HG2 ILE 29 -0.639 4.134 4.129 200 HG22 ILE 29 2HG2 ILE 29 -1.941 3.962 2.916 201 HG23 ILE 29 3HG2 ILE 29 -1.212 2.526 3.642 202 HD11 ILE 29 3HD1 ILE 29 -2.429 6.703 6.210 203 HD12 ILE 29 1HD1 ILE 29 -1.212 5.935 5.193 204 HD13 ILE 29 2HD1 ILE 29 -1.548 5.297 6.804 205 H PHE 30 H PHE 30 -2.515 0.750 5.399 206 HA PHE 30 HA PHE 30 -4.869 -0.572 6.467 207 HB2 PHE 30 2HB PHE 30 -1.985 -1.371 6.841 208 HB3 PHE 30 1HB PHE 30 -3.380 -2.343 7.236 209 HD1 PHE 30 2HD PHE 30 -4.894 -3.080 5.267 210 HD2 PHE 30 1HD PHE 30 -0.972 -1.491 4.818 211 HE1 PHE 30 2HE PHE 30 -4.723 -4.111 3.025 212 HE2 PHE 30 1HE PHE 30 -0.799 -2.521 2.610 213 HZ PHE 30 HZ PHE 30 -2.661 -3.826 1.713 214 H VAL 31 H VAL 31 -5.035 1.655 7.953 215 HA VAL 31 HA VAL 31 -3.634 0.886 10.383 216 HB VAL 31 HB VAL 31 -5.258 3.421 9.963 217 HG11 VAL 31 1HG1 VAL 31 -5.189 2.546 12.245 218 HG12 VAL 31 2HG1 VAL 31 -4.316 4.087 12.119 219 HG13 VAL 31 3HG1 VAL 31 -3.432 2.550 12.198 220 HG21 VAL 31 3HG2 VAL 31 -3.198 3.426 8.617 221 HG22 VAL 31 1HG2 VAL 31 -2.260 3.011 10.052 222 HG23 VAL 31 2HG2 VAL 31 -3.083 4.567 9.958 223 H ALA 32 H ALA 32 -4.569 -0.320 11.698 224 HA ALA 32 HA ALA 32 -7.070 -1.412 11.101 225 HB1 ALA 32 1HB ALA 32 -5.255 -2.691 12.138 226 HB2 ALA 32 2HB ALA 32 -6.766 -2.800 13.043 227 HB3 ALA 32 3HB ALA 32 -5.469 -1.753 13.619 228 H THR 33 H THR 33 -8.852 -0.622 11.434 229 HA THR 33 HA THR 33 -10.679 0.235 12.279 230 HB THR 33 HB THR 33 -11.051 0.273 14.772 231 HG1 THR 33 1HG THR 33 -8.335 0.098 14.787 232 HG21 THR 33 3HG2 THR 33 -9.829 -2.240 13.639 233 HG22 THR 33 1HG2 THR 33 -11.512 -1.741 13.482 234 HG23 THR 33 2HG2 THR 33 -10.861 -2.171 15.066 235 H SER 34 H SER 34 -8.579 2.014 11.454 236 HA SER 34 HA SER 34 -9.263 4.390 13.011 237 HB2 SER 34 2HB SER 34 -6.870 4.031 12.414 238 HB3 SER 34 1HB SER 34 -7.325 4.010 10.713 239 HG SER 34 HG SER 34 -6.522 6.029 11.509 240 HA PRO 35 HA PRO 35 -12.307 4.997 9.788 241 HB2 PRO 35 2HB PRO 35 -13.366 7.271 10.694 242 HB3 PRO 35 1HB PRO 35 -13.661 5.725 11.510 243 HG2 PRO 35 2HG PRO 35 -11.788 7.940 12.242 244 HG3 PRO 35 1HG PRO 35 -12.802 6.933 13.295 245 HD2 PRO 35 2HD PRO 35 -10.112 6.549 12.861 246 HD3 PRO 35 1HD PRO 35 -11.229 5.282 13.399 247 H ARG 36 H ARG 36 -9.523 6.211 9.899 248 HA ARG 36 HA ARG 36 -9.905 8.373 7.914 249 HB2 ARG 36 2HB ARG 36 -7.591 7.907 9.789 250 HB3 ARG 36 1HB ARG 36 -7.685 9.186 8.589 251 HG2 ARG 36 2HG ARG 36 -9.594 10.153 9.762 252 HG3 ARG 36 1HG ARG 36 -9.498 8.863 10.967 253 HD2 ARG 36 2HD ARG 36 -8.414 10.926 11.724 254 HD3 ARG 36 1HD ARG 36 -7.278 9.582 11.601 255 HE ARG 36 HE ARG 36 -7.535 11.747 9.622 256 HH11 ARG 36 1HH1 ARG 36 -5.530 9.364 11.341 257 HH12 ARG 36 2HH1 ARG 36 -4.107 9.843 10.548 258 HH21 ARG 36 1HH2 ARG 36 -5.544 12.334 8.548 259 HH22 ARG 36 2HH2 ARG 36 -4.111 11.490 8.915 260 H CYS 37 H CYS 37 -8.968 5.167 8.317 261 HA CYS 37 HA CYS 37 -7.458 5.103 5.880 262 HB2 CYS 37 2HB CYS 37 -6.690 3.782 8.498 263 HB3 CYS 37 1HB CYS 37 -5.839 3.612 6.969 264 HG CYS 37 HG CYS 37 -5.329 5.809 9.345 265 H VAL 38 H VAL 38 -7.452 2.531 5.328 266 HA VAL 38 HA VAL 38 -9.684 1.245 6.645 267 HB VAL 38 HB VAL 38 -9.687 2.186 3.808 268 HG11 VAL 38 1HG1 VAL 38 -9.281 -0.194 3.445 269 HG12 VAL 38 2HG1 VAL 38 -10.924 0.247 2.967 270 HG13 VAL 38 3HG1 VAL 38 -10.639 -0.600 4.493 271 HG21 VAL 38 3HG2 VAL 38 -12.076 2.080 4.107 272 HG22 VAL 38 1HG2 VAL 38 -11.352 2.864 5.510 273 HG23 VAL 38 2HG2 VAL 38 -11.882 1.182 5.606 274 H ASN 39 H ASN 39 -9.439 -0.702 6.919 275 HA ASN 39 HA ASN 39 -6.990 -1.917 5.929 276 HB2 ASN 39 2HB ASN 39 -7.162 -3.358 7.989 277 HB3 ASN 39 1HB ASN 39 -6.668 -1.700 8.261 278 HD21 ASN 39 1HD2 ASN 39 -8.904 -4.116 8.864 279 HD22 ASN 39 2HD2 ASN 39 -9.922 -3.221 9.919 280 H VAL 40 H VAL 40 -7.131 -4.326 6.208 281 HA VAL 40 HA VAL 40 -8.481 -5.260 4.057 282 HB VAL 40 HB VAL 40 -6.619 -6.397 5.133 283 HG11 VAL 40 1HG1 VAL 40 -6.900 -7.801 7.102 284 HG12 VAL 40 2HG1 VAL 40 -8.550 -7.198 7.286 285 HG13 VAL 40 3HG1 VAL 40 -7.183 -6.093 7.440 286 HG21 VAL 40 3HG2 VAL 40 -9.038 -8.173 4.924 287 HG22 VAL 40 1HG2 VAL 40 -7.364 -8.724 4.921 288 HG23 VAL 40 2HG2 VAL 40 -7.965 -7.709 3.607 289 H GLU 41 H GLU 41 -9.811 -4.921 7.230 290 HA GLU 41 HA GLU 41 -11.984 -6.703 7.077 291 HB2 GLU 41 2HB GLU 41 -11.479 -4.175 8.517 292 HB3 GLU 41 1HB GLU 41 -12.852 -5.221 8.862 293 HG2 GLU 41 2HG GLU 41 -11.214 -6.964 9.523 294 HG3 GLU 41 1HG GLU 41 -9.921 -5.794 9.224 295 H GLN 42 H GLN 42 -11.873 -3.157 6.920 296 HA GLN 42 HA GLN 42 -14.540 -2.791 6.122 297 HB2 GLN 42 2HB GLN 42 -12.121 -1.025 6.036 298 HB3 GLN 42 1HB GLN 42 -13.740 -0.474 5.633 299 HG2 GLN 42 2HG GLN 42 -14.458 -0.540 7.787 300 HG3 GLN 42 1HG GLN 42 -13.348 -1.852 8.226 301 HE21 GLN 42 1HE2 GLN 42 -11.352 -1.342 8.925 302 HE22 GLN 42 2HE2 GLN 42 -10.916 0.280 9.268 303 H ALA 43 H ALA 43 -11.505 -2.865 4.345 304 HA ALA 43 HA ALA 43 -12.560 -2.032 1.885 305 HB1 ALA 43 1HB ALA 43 -10.501 -2.826 0.898 306 HB2 ALA 43 2HB ALA 43 -10.137 -3.750 2.357 307 HB3 ALA 43 3HB ALA 43 -10.172 -1.987 2.412 308 H GLN 44 H GLN 44 -12.627 -5.132 3.461 309 HA GLN 44 HA GLN 44 -13.067 -6.705 1.176 310 HB2 GLN 44 2HB GLN 44 -12.603 -7.209 3.797 311 HB3 GLN 44 1HB GLN 44 -14.321 -7.644 3.682 312 HG2 GLN 44 2HG GLN 44 -13.090 -9.612 3.293 313 HG3 GLN 44 1HG GLN 44 -13.609 -9.061 1.695 314 HE21 GLN 44 1HE2 GLN 44 -11.056 -7.625 3.585 315 HE22 GLN 44 2HE2 GLN 44 -9.766 -8.002 2.583 316 H GLU 45 H GLU 45 -15.027 -4.654 3.102 317 HA GLU 45 HA GLU 45 -17.584 -5.545 2.051 318 HB2 GLU 45 2HB GLU 45 -16.880 -3.029 3.513 319 HB3 GLU 45 1HB GLU 45 -18.481 -3.723 3.324 320 HG2 GLU 45 2HG GLU 45 -17.876 -5.621 4.700 321 HG3 GLU 45 1HG GLU 45 -16.238 -4.989 4.886 322 H VAL 46 H VAL 46 -15.429 -2.784 1.935 323 HA VAL 46 HA VAL 46 -16.887 -1.111 0.286 324 HB VAL 46 HB VAL 46 -13.856 -1.197 0.528 325 HG11 VAL 46 1HG1 VAL 46 -15.700 1.013 -0.261 326 HG12 VAL 46 2HG1 VAL 46 -14.587 0.151 -1.342 327 HG13 VAL 46 3HG1 VAL 46 -13.956 1.165 -0.022 328 HG21 VAL 46 3HG2 VAL 46 -14.119 0.513 2.261 329 HG22 VAL 46 1HG2 VAL 46 -14.908 -0.992 2.715 330 HG23 VAL 46 2HG2 VAL 46 -15.875 0.367 2.142 331 H MET 47 H MET 47 -14.639 -3.677 -0.612 332 HA MET 47 HA MET 47 -14.370 -3.098 -3.325 333 HB2 MET 47 2HB MET 47 -13.772 -5.439 -3.700 334 HB3 MET 47 1HB MET 47 -13.030 -4.836 -2.226 335 HG2 MET 47 2HG MET 47 -14.542 -6.043 -0.860 336 HG3 MET 47 1HG MET 47 -15.564 -6.445 -2.234 337 HE1 MET 47 3HE MET 47 -12.002 -6.996 -0.606 338 HE2 MET 47 1HE MET 47 -11.615 -6.551 -2.266 339 HE3 MET 47 2HE MET 47 -11.308 -8.194 -1.697 340 H ALA 48 H ALA 48 -17.066 -4.533 -1.661 341 HA ALA 48 HA ALA 48 -18.282 -5.486 -4.103 342 HB1 ALA 48 1HB ALA 48 -20.089 -6.233 -2.617 343 HB2 ALA 48 2HB ALA 48 -19.292 -5.413 -1.266 344 HB3 ALA 48 3HB ALA 48 -18.508 -6.778 -2.049 345 H ALA 49 H ALA 49 -18.218 -2.711 -2.181 346 HA ALA 49 HA ALA 49 -20.780 -1.688 -3.073 347 HB1 ALA 49 1HB ALA 49 -18.665 -0.420 -1.336 348 HB2 ALA 49 2HB ALA 49 -20.077 -1.304 -0.759 349 HB3 ALA 49 3HB ALA 49 -20.282 0.220 -1.622 350 H ALA 50 H ALA 50 -17.275 -1.050 -3.560 351 HA ALA 50 HA ALA 50 -17.918 0.294 -5.988 352 HB1 ALA 50 1HB ALA 50 -16.246 1.413 -3.731 353 HB2 ALA 50 2HB ALA 50 -17.737 2.101 -4.375 354 HB3 ALA 50 3HB ALA 50 -16.281 2.060 -5.367 355 HA PRO 51 HA PRO 51 -14.596 -2.806 -6.330 356 HB2 PRO 51 2HB PRO 51 -14.917 -3.196 -9.036 357 HB3 PRO 51 1HB PRO 51 -15.775 -4.100 -7.788 358 HG2 PRO 51 2HG PRO 51 -16.696 -1.816 -9.448 359 HG3 PRO 51 1HG PRO 51 -17.609 -3.212 -8.859 360 HD2 PRO 51 2HD PRO 51 -17.763 -0.713 -7.775 361 HD3 PRO 51 1HD PRO 51 -18.075 -2.194 -6.851 362 H LEU 52 H LEU 52 -13.528 -0.730 -5.887 363 HA LEU 52 HA LEU 52 -11.929 0.050 -8.191 364 HB2 LEU 52 2HB LEU 52 -11.087 1.778 -6.365 365 HB3 LEU 52 1HB LEU 52 -12.430 2.194 -7.382 366 HG LEU 52 HG LEU 52 -13.776 1.080 -5.377 367 HD11 LEU 52 1HD1 LEU 52 -11.264 1.908 -3.971 368 HD12 LEU 52 2HD1 LEU 52 -11.921 0.278 -4.131 369 HD13 LEU 52 3HD1 LEU 52 -12.796 1.492 -3.197 370 HD21 LEU 52 3HD2 LEU 52 -13.863 3.313 -4.217 371 HD22 LEU 52 1HD2 LEU 52 -14.237 3.322 -5.939 372 HD23 LEU 52 2HD2 LEU 52 -12.654 3.867 -5.376 373 H GLN 53 H GLN 53 -9.684 0.049 -8.033 374 HA GLN 53 HA GLN 53 -8.774 -2.384 -6.933 375 HB2 GLN 53 2HB GLN 53 -8.203 -0.767 -9.058 376 HB3 GLN 53 1HB GLN 53 -6.820 -0.488 -8.016 377 HG2 GLN 53 2HG GLN 53 -7.824 -3.159 -8.830 378 HG3 GLN 53 1HG GLN 53 -6.548 -2.285 -9.687 379 HE21 GLN 53 1HE2 GLN 53 -5.331 -1.179 -7.401 380 HE22 GLN 53 2HE2 GLN 53 -4.562 -2.422 -6.496 381 H TYR 54 H TYR 54 -7.106 -2.714 -5.300 382 HA TYR 54 HA TYR 54 -6.839 -0.432 -3.497 383 HB2 TYR 54 2HB TYR 54 -6.927 -3.377 -2.852 384 HB3 TYR 54 1HB TYR 54 -6.645 -2.088 -1.688 385 HD1 TYR 54 2HD TYR 54 -8.429 -0.313 -1.512 386 HD2 TYR 54 1HD TYR 54 -9.104 -4.081 -3.304 387 HE1 TYR 54 2HE TYR 54 -10.857 -0.013 -1.194 388 HE2 TYR 54 1HE TYR 54 -11.517 -3.807 -3.015 389 HH TYR 54 HH TYR 54 -12.936 -0.889 -2.332 390 H VAL 55 H VAL 55 -4.930 0.053 -2.641 391 HA VAL 55 HA VAL 55 -2.656 -1.655 -3.196 392 HB VAL 55 HB VAL 55 -2.709 0.335 -4.826 393 HG11 VAL 55 1HG1 VAL 55 -2.357 1.904 -2.296 394 HG12 VAL 55 2HG1 VAL 55 -3.658 2.036 -3.486 395 HG13 VAL 55 3HG1 VAL 55 -2.006 2.509 -3.910 396 HG21 VAL 55 3HG2 VAL 55 -0.652 -0.817 -4.280 397 HG22 VAL 55 1HG2 VAL 55 -0.396 0.239 -2.902 398 HG23 VAL 55 2HG2 VAL 55 -0.360 0.906 -4.540 399 H GLY 56 H GLY 56 -1.061 -1.401 -1.545 400 HA2 GLY 56 2HA GLY 56 -2.088 -0.039 0.929 401 HA3 GLY 56 1HA GLY 56 -1.323 -1.655 0.890 402 H VAL 57 H VAL 57 -0.672 0.885 2.259 403 HA VAL 57 HA VAL 57 2.170 0.936 1.495 404 HB VAL 57 HB VAL 57 0.618 3.334 2.535 405 HG11 VAL 57 1HG1 VAL 57 3.401 3.163 1.425 406 HG12 VAL 57 2HG1 VAL 57 2.939 3.402 3.109 407 HG13 VAL 57 3HG1 VAL 57 2.586 4.649 1.913 408 HG21 VAL 57 3HG2 VAL 57 1.432 2.872 -0.350 409 HG22 VAL 57 1HG2 VAL 57 0.781 4.372 0.304 410 HG23 VAL 57 2HG2 VAL 57 -0.208 2.916 0.287 411 H PHE 58 H PHE 58 3.322 0.278 3.302 412 HA PHE 58 HA PHE 58 2.663 1.219 5.919 413 HB2 PHE 58 2HB PHE 58 0.811 -0.490 5.444 414 HB3 PHE 58 1HB PHE 58 2.058 -1.725 5.517 415 HD1 PHE 58 2HD PHE 58 0.440 0.978 7.459 416 HD2 PHE 58 1HD PHE 58 2.690 -2.624 7.581 417 HE1 PHE 58 2HE PHE 58 0.146 0.880 9.899 418 HE2 PHE 58 1HE PHE 58 2.407 -2.722 10.015 419 HZ PHE 58 HZ PHE 58 1.143 -0.975 11.176 420 H ARG 59 H ARG 59 4.195 0.483 7.531 421 HA ARG 59 HA ARG 59 6.558 -0.852 6.433 422 HB2 ARG 59 2HB ARG 59 6.027 0.530 9.084 423 HB3 ARG 59 1HB ARG 59 7.536 -0.263 8.676 424 HG2 ARG 59 2HG ARG 59 8.076 1.300 7.068 425 HG3 ARG 59 1HG ARG 59 6.424 1.939 6.988 426 HD2 ARG 59 2HD ARG 59 8.239 2.139 9.384 427 HD3 ARG 59 1HD ARG 59 8.051 3.415 8.176 428 HE ARG 59 HE ARG 59 5.666 2.425 9.532 429 HH11 ARG 59 1HH1 ARG 59 8.045 5.066 9.174 430 HH12 ARG 59 2HH1 ARG 59 7.075 6.193 9.993 431 HH21 ARG 59 1HH2 ARG 59 4.373 4.046 10.672 432 HH22 ARG 59 2HH2 ARG 59 5.012 5.624 10.831 433 H ASN 60 H ASN 60 5.887 -3.010 6.345 434 HA ASN 60 HA ASN 60 4.698 -4.104 8.727 435 HB2 ASN 60 2HB ASN 60 3.514 -4.232 6.417 436 HB3 ASN 60 1HB ASN 60 4.791 -5.374 6.013 437 HD21 ASN 60 1HD2 ASN 60 1.927 -5.765 6.229 438 HD22 ASN 60 2HD2 ASN 60 1.666 -7.011 7.392 439 H HIS 61 H HIS 61 5.954 -5.150 9.758 440 HA HIS 61 HA HIS 61 8.651 -5.800 8.946 441 HB2 HIS 61 2HB HIS 61 7.216 -6.440 11.505 442 HB3 HIS 61 1HB HIS 61 8.951 -6.623 11.245 443 HD1 HIS 61 1HD HIS 61 10.257 -4.320 10.780 444 HD2 HIS 61 2HD HIS 61 6.411 -3.961 12.284 445 HE1 HIS 61 1HE HIS 61 10.043 -1.940 11.601 446 H ASP 62 H ASP 62 5.690 -7.515 9.408 447 HA ASP 62 HA ASP 62 6.958 -10.132 9.261 448 HB2 ASP 62 2HB ASP 62 4.046 -9.342 9.398 449 HB3 ASP 62 1HB ASP 62 4.619 -10.999 9.361 450 H ILE 63 H ILE 63 7.637 -10.752 7.269 451 HA ILE 63 HA ILE 63 6.561 -9.827 4.848 452 HB ILE 63 HB ILE 63 8.751 -10.800 4.750 453 HG12 ILE 63 2HG1 ILE 63 7.032 -12.857 3.434 454 HG13 ILE 63 1HG1 ILE 63 7.041 -11.190 2.891 455 HG21 ILE 63 1HG2 ILE 63 9.194 -13.175 5.194 456 HG22 ILE 63 2HG2 ILE 63 7.515 -13.371 5.711 457 HG23 ILE 63 3HG2 ILE 63 8.605 -12.330 6.630 458 HD11 ILE 63 3HD1 ILE 63 9.421 -13.032 3.048 459 HD12 ILE 63 1HD1 ILE 63 9.427 -11.379 2.444 460 HD13 ILE 63 2HD1 ILE 63 8.536 -12.625 1.575 461 H ALA 64 H ALA 64 5.627 -12.509 6.827 462 HA ALA 64 HA ALA 64 3.962 -13.684 4.851 463 HB1 ALA 64 1HB ALA 64 3.137 -15.081 6.667 464 HB2 ALA 64 2HB ALA 64 3.919 -14.023 7.842 465 HB3 ALA 64 3HB ALA 64 4.898 -14.965 6.721 466 H ASP 65 H ASP 65 3.670 -11.005 6.891 467 HA ASP 65 HA ASP 65 0.776 -11.167 7.022 468 HB2 ASP 65 2HB ASP 65 2.104 -10.364 8.971 469 HB3 ASP 65 1HB ASP 65 2.536 -8.948 8.018 470 H VAL 66 H VAL 66 3.314 -9.421 5.394 471 HA VAL 66 HA VAL 66 1.704 -7.557 4.008 472 HB VAL 66 HB VAL 66 4.200 -8.938 2.936 473 HG11 VAL 66 1HG1 VAL 66 2.936 -7.774 1.199 474 HG12 VAL 66 2HG1 VAL 66 4.452 -6.935 1.532 475 HG13 VAL 66 3HG1 VAL 66 2.939 -6.301 2.169 476 HG21 VAL 66 3HG2 VAL 66 5.439 -6.986 3.754 477 HG22 VAL 66 1HG2 VAL 66 4.676 -7.877 5.077 478 HG23 VAL 66 2HG2 VAL 66 3.956 -6.377 4.480 479 H VAL 67 H VAL 67 2.778 -10.813 3.317 480 HA VAL 67 HA VAL 67 1.467 -11.180 0.840 481 HB VAL 67 HB VAL 67 2.168 -13.272 2.926 482 HG11 VAL 67 1HG1 VAL 67 2.177 -14.868 1.064 483 HG12 VAL 67 2HG1 VAL 67 1.654 -13.595 -0.036 484 HG13 VAL 67 3HG1 VAL 67 0.585 -14.130 1.264 485 HG21 VAL 67 3HG2 VAL 67 4.208 -13.599 1.681 486 HG22 VAL 67 1HG2 VAL 67 4.093 -11.937 2.235 487 HG23 VAL 67 2HG2 VAL 67 3.763 -12.329 0.544 488 H ASP 68 H ASP 68 0.543 -11.740 4.144 489 HA ASP 68 HA ASP 68 -1.890 -13.008 3.927 490 HB2 ASP 68 2HB ASP 68 -0.818 -12.656 6.065 491 HB3 ASP 68 1HB ASP 68 -0.955 -10.917 5.881 492 H LYS 69 H LYS 69 -1.385 -9.502 4.177 493 HA LYS 69 HA LYS 69 -4.115 -8.885 3.700 494 HB2 LYS 69 2HB LYS 69 -1.718 -7.069 3.313 495 HB3 LYS 69 1HB LYS 69 -3.386 -6.556 3.497 496 HG2 LYS 69 2HG LYS 69 -1.698 -7.911 5.600 497 HG3 LYS 69 1HG LYS 69 -2.139 -6.205 5.547 498 HD2 LYS 69 2HD LYS 69 -4.502 -6.818 5.758 499 HD3 LYS 69 1HD LYS 69 -4.040 -8.523 5.793 500 HE2 LYS 69 2HE LYS 69 -3.198 -6.443 7.798 501 HE3 LYS 69 1HE LYS 69 -4.488 -7.616 8.043 502 HZ1 LYS 69 3HZ LYS 69 -2.560 -8.456 9.084 503 HZ2 LYS 69 1HZ LYS 69 -1.574 -8.177 7.752 504 HZ3 LYS 69 2HZ LYS 69 -2.754 -9.372 7.682 505 H ALA 70 H ALA 70 -1.269 -9.003 1.621 506 HA ALA 70 HA ALA 70 -2.356 -7.917 -0.735 507 HB1 ALA 70 1HB ALA 70 -0.444 -8.889 -1.836 508 HB2 ALA 70 2HB ALA 70 -0.188 -9.996 -0.493 509 HB3 ALA 70 3HB ALA 70 0.058 -8.266 -0.264 510 H LYS 71 H LYS 71 -2.480 -11.113 0.631 511 HA LYS 71 HA LYS 71 -3.655 -12.331 -1.696 512 HB2 LYS 71 2HB LYS 71 -2.251 -13.629 -0.195 513 HB3 LYS 71 1HB LYS 71 -3.340 -13.271 1.135 514 HG2 LYS 71 2HG LYS 71 -5.132 -14.462 -0.096 515 HG3 LYS 71 1HG LYS 71 -3.928 -14.948 -1.290 516 HD2 LYS 71 2HD LYS 71 -4.208 -16.746 0.301 517 HD3 LYS 71 1HD LYS 71 -2.619 -16.006 0.530 518 HE2 LYS 71 2HE LYS 71 -3.474 -14.737 2.446 519 HE3 LYS 71 1HE LYS 71 -5.078 -15.421 2.195 520 HZ1 LYS 71 3HZ LYS 71 -3.870 -16.514 3.960 521 HZ2 LYS 71 1HZ LYS 71 -2.626 -16.925 2.924 522 HZ3 LYS 71 2HZ LYS 71 -4.158 -17.606 2.716 523 H VAL 72 H VAL 72 -4.768 -11.702 1.638 524 HA VAL 72 HA VAL 72 -7.390 -12.566 1.307 525 HB VAL 72 HB VAL 72 -6.483 -10.381 3.211 526 HG11 VAL 72 1HG1 VAL 72 -8.890 -10.444 2.983 527 HG12 VAL 72 2HG1 VAL 72 -8.391 -11.023 4.571 528 HG13 VAL 72 3HG1 VAL 72 -8.902 -12.177 3.331 529 HG21 VAL 72 3HG2 VAL 72 -6.330 -12.197 4.876 530 HG22 VAL 72 1HG2 VAL 72 -5.171 -12.343 3.557 531 HG23 VAL 72 2HG2 VAL 72 -6.614 -13.368 3.582 532 H LEU 73 H LEU 73 -6.289 -9.151 1.262 533 HA LEU 73 HA LEU 73 -8.821 -8.307 0.289 534 HB2 LEU 73 2HB LEU 73 -7.391 -6.966 1.795 535 HB3 LEU 73 1HB LEU 73 -6.200 -6.836 0.526 536 HG LEU 73 HG LEU 73 -7.695 -5.467 -0.804 537 HD11 LEU 73 1HD1 LEU 73 -9.883 -4.807 0.080 538 HD12 LEU 73 2HD1 LEU 73 -9.655 -5.918 1.440 539 HD13 LEU 73 3HD1 LEU 73 -9.786 -6.545 -0.201 540 HD21 LEU 73 3HD2 LEU 73 -7.670 -4.575 2.068 541 HD22 LEU 73 1HD2 LEU 73 -7.822 -3.535 0.654 542 HD23 LEU 73 2HD2 LEU 73 -6.316 -4.416 0.959 543 H SER 74 H SER 74 -6.002 -9.554 -1.105 544 HA SER 74 HA SER 74 -5.208 -9.839 -3.158 545 HB2 SER 74 2HB SER 74 -8.085 -9.383 -4.009 546 HB3 SER 74 1HB SER 74 -6.833 -10.163 -4.983 547 HG SER 74 HG SER 74 -7.078 -11.227 -2.473 548 H LEU 75 H LEU 75 -4.024 -7.929 -2.777 549 HA LEU 75 HA LEU 75 -4.828 -5.386 -3.823 550 HB2 LEU 75 2HB LEU 75 -2.141 -6.348 -2.880 551 HB3 LEU 75 1HB LEU 75 -2.632 -4.685 -3.151 552 HG LEU 75 HG LEU 75 -3.869 -6.482 -1.084 553 HD11 LEU 75 1HD1 LEU 75 -2.575 -5.310 0.530 554 HD12 LEU 75 2HD1 LEU 75 -1.863 -4.266 -0.710 555 HD13 LEU 75 3HD1 LEU 75 -1.483 -5.993 -0.673 556 HD21 LEU 75 3HD2 LEU 75 -5.339 -4.755 -1.847 557 HD22 LEU 75 1HD2 LEU 75 -4.084 -3.531 -1.648 558 HD23 LEU 75 2HD2 LEU 75 -4.741 -4.349 -0.231 559 H ALA 76 H ALA 76 -2.747 -4.345 -4.941 560 HA ALA 76 HA ALA 76 -2.084 -5.953 -7.319 561 HB1 ALA 76 1HB ALA 76 -2.741 -3.018 -7.320 562 HB2 ALA 76 2HB ALA 76 -3.802 -4.287 -7.894 563 HB3 ALA 76 3HB ALA 76 -2.268 -3.975 -8.724 564 H ALA 77 H ALA 77 -1.314 -3.251 -5.201 565 HA ALA 77 HA ALA 77 1.417 -4.173 -5.318 566 HB1 ALA 77 1HB ALA 77 0.666 -1.297 -5.701 567 HB2 ALA 77 2HB ALA 77 1.268 -2.373 -6.959 568 HB3 ALA 77 3HB ALA 77 2.296 -1.952 -5.592 569 H VAL 78 H VAL 78 2.684 -3.192 -3.645 570 HA VAL 78 HA VAL 78 1.236 -2.001 -1.431 571 HB VAL 78 HB VAL 78 1.208 -4.371 -0.901 572 HG11 VAL 78 1HG1 VAL 78 4.189 -4.204 -1.352 573 HG12 VAL 78 2HG1 VAL 78 3.041 -5.195 -2.239 574 HG13 VAL 78 3HG1 VAL 78 3.430 -5.590 -0.554 575 HG21 VAL 78 3HG2 VAL 78 1.518 -2.864 0.979 576 HG22 VAL 78 1HG2 VAL 78 3.266 -2.904 0.750 577 HG23 VAL 78 2HG2 VAL 78 2.411 -4.360 1.268 578 H GLN 79 H GLN 79 2.483 -0.471 -0.380 579 HA GLN 79 HA GLN 79 5.078 -0.061 -1.480 580 HB2 GLN 79 2HB GLN 79 2.985 1.647 -0.275 581 HB3 GLN 79 1HB GLN 79 4.655 2.153 -0.239 582 HG2 GLN 79 2HG GLN 79 3.624 3.170 -2.109 583 HG3 GLN 79 1HG GLN 79 4.693 1.911 -2.714 584 HE21 GLN 79 1HE2 GLN 79 3.721 -0.063 -3.491 585 HE22 GLN 79 2HE2 GLN 79 2.088 -0.015 -4.053 586 H LEU 80 H LEU 80 6.488 -0.909 -0.375 587 HA LEU 80 HA LEU 80 6.242 -1.228 2.493 588 HB2 LEU 80 2HB LEU 80 8.467 -1.975 0.614 589 HB3 LEU 80 1HB LEU 80 8.319 -2.461 2.288 590 HG LEU 80 HG LEU 80 6.435 -3.290 0.084 591 HD11 LEU 80 1HD1 LEU 80 7.519 -5.408 0.168 592 HD12 LEU 80 2HD1 LEU 80 8.585 -4.872 1.474 593 HD13 LEU 80 3HD1 LEU 80 8.737 -4.170 -0.137 594 HD21 LEU 80 3HD2 LEU 80 5.374 -3.260 2.286 595 HD22 LEU 80 1HD2 LEU 80 6.698 -4.219 2.950 596 HD23 LEU 80 2HD2 LEU 80 5.628 -4.915 1.733 597 H HIS 81 H HIS 81 6.903 0.434 3.688 598 HA HIS 81 HA HIS 81 8.880 2.207 2.575 599 HB2 HIS 81 2HB HIS 81 6.960 3.041 4.060 600 HB3 HIS 81 1HB HIS 81 7.759 2.254 5.409 601 HD1 HIS 81 1HD HIS 81 7.601 5.502 3.661 602 HD2 HIS 81 2HD HIS 81 10.415 3.367 5.896 603 HE1 HIS 81 1HE HIS 81 9.326 7.140 4.359 604 H GLY 82 H GLY 82 10.444 0.990 2.232 605 HA2 GLY 82 2HA GLY 82 11.312 -1.315 3.321 606 HA3 GLY 82 1HA GLY 82 12.276 -0.312 2.275 607 H ASN 83 H ASN 83 11.887 1.453 4.949 608 HA ASN 83 HA ASN 83 14.462 1.734 5.652 609 HB2 ASN 83 2HB ASN 83 12.718 3.215 6.439 610 HB3 ASN 83 1HB ASN 83 12.093 1.971 7.507 611 HD21 ASN 83 1HD2 ASN 83 13.039 1.710 9.537 612 HD22 ASN 83 2HD2 ASN 83 14.285 2.747 10.107 613 H GLU 84 H GLU 84 12.662 -1.081 6.694 614 HA GLU 84 HA GLU 84 14.248 -1.752 8.928 615 HB2 GLU 84 2HB GLU 84 12.063 -2.807 8.512 616 HB3 GLU 84 1HB GLU 84 12.772 -3.662 7.148 617 HG2 GLU 84 2HG GLU 84 14.269 -4.839 8.582 618 HG3 GLU 84 1HG GLU 84 13.749 -3.895 9.974 619 H GLU 85 H GLU 85 14.706 -2.759 5.519 620 HA GLU 85 HA GLU 85 17.489 -3.145 5.788 621 HB2 GLU 85 2HB GLU 85 16.399 -5.027 7.226 622 HB3 GLU 85 1HB GLU 85 15.930 -5.729 5.690 623 HG2 GLU 85 2HG GLU 85 18.748 -5.012 6.235 624 HG3 GLU 85 1HG GLU 85 18.080 -6.503 6.889 625 H GLN 86 H GLN 86 18.367 -3.874 3.675 626 HA GLN 86 HA GLN 86 16.673 -2.821 1.680 627 HB2 GLN 86 2HB GLN 86 19.521 -3.583 1.878 628 HB3 GLN 86 1HB GLN 86 18.805 -3.179 0.332 629 HG2 GLN 86 2HG GLN 86 18.188 -0.968 1.203 630 HG3 GLN 86 1HG GLN 86 18.813 -1.407 2.783 631 HE21 GLN 86 1HE2 GLN 86 21.192 -2.705 1.703 632 HE22 GLN 86 2HE2 GLN 86 22.213 -1.442 1.149 633 H LEU 87 H LEU 87 18.116 -5.813 2.443 634 HA LEU 87 HA LEU 87 17.465 -7.086 -0.059 635 HB2 LEU 87 2HB LEU 87 18.538 -8.243 2.487 636 HB3 LEU 87 1HB LEU 87 18.479 -9.048 0.925 637 HG LEU 87 HG LEU 87 19.910 -6.476 1.335 638 HD11 LEU 87 1HD1 LEU 87 20.861 -8.058 2.854 639 HD12 LEU 87 2HD1 LEU 87 21.979 -7.782 1.519 640 HD13 LEU 87 3HD1 LEU 87 21.023 -9.274 1.580 641 HD21 LEU 87 3HD2 LEU 87 20.101 -8.609 -0.783 642 HD22 LEU 87 1HD2 LEU 87 21.150 -7.192 -0.667 643 HD23 LEU 87 2HD2 LEU 87 19.424 -6.983 -0.942 644 H TYR 88 H TYR 88 16.053 -6.587 2.929 645 HA TYR 88 HA TYR 88 14.320 -8.752 3.169 646 HB2 TYR 88 2HB TYR 88 14.586 -7.295 5.026 647 HB3 TYR 88 1HB TYR 88 14.111 -5.888 4.085 648 HD1 TYR 88 2HD TYR 88 12.565 -9.259 4.653 649 HD2 TYR 88 1HD TYR 88 12.163 -5.032 4.860 650 HE1 TYR 88 2HE TYR 88 10.281 -9.555 5.381 651 HE2 TYR 88 1HE TYR 88 9.801 -5.318 5.624 652 HH TYR 88 HH TYR 88 8.633 -8.137 6.800 653 H ILE 89 H ILE 89 14.054 -5.780 1.342 654 HA ILE 89 HA ILE 89 11.357 -6.094 0.540 655 HB ILE 89 HB ILE 89 13.661 -4.500 -0.580 656 HG12 ILE 89 2HG1 ILE 89 12.205 -2.538 0.042 657 HG13 ILE 89 1HG1 ILE 89 11.069 -3.676 0.747 658 HG21 ILE 89 1HG2 ILE 89 12.286 -5.115 -2.503 659 HG22 ILE 89 2HG2 ILE 89 12.072 -3.390 -2.136 660 HG23 ILE 89 3HG2 ILE 89 10.846 -4.566 -1.641 661 HD11 ILE 89 3HD1 ILE 89 12.466 -2.625 2.419 662 HD12 ILE 89 1HD1 ILE 89 13.905 -3.234 1.607 663 HD13 ILE 89 2HD1 ILE 89 12.762 -4.362 2.344 664 H ASP 90 H ASP 90 14.348 -7.212 -0.669 665 HA ASP 90 HA ASP 90 13.529 -8.298 -3.164 666 HB2 ASP 90 2HB ASP 90 15.822 -7.717 -2.482 667 HB3 ASP 90 1HB ASP 90 15.782 -9.007 -1.331 668 H THR 91 H THR 91 13.153 -9.226 0.032 669 HA THR 91 HA THR 91 12.935 -12.070 -0.398 670 HB THR 91 HB THR 91 12.483 -10.285 1.973 671 HG1 THR 91 1HG THR 91 14.708 -10.861 0.988 672 HG21 THR 91 3HG2 THR 91 11.124 -12.150 2.060 673 HG22 THR 91 1HG2 THR 91 12.340 -12.300 3.326 674 HG23 THR 91 2HG2 THR 91 12.469 -13.297 1.848 675 H LEU 92 H LEU 92 10.787 -9.294 0.283 676 HA LEU 92 HA LEU 92 8.412 -10.570 0.605 677 HB2 LEU 92 2HB LEU 92 9.151 -7.931 -0.505 678 HB3 LEU 92 1HB LEU 92 7.464 -8.412 -0.608 679 HG LEU 92 HG LEU 92 7.708 -6.963 1.285 680 HD11 LEU 92 1HD1 LEU 92 7.826 -9.687 2.270 681 HD12 LEU 92 2HD1 LEU 92 6.349 -8.973 1.582 682 HD13 LEU 92 3HD1 LEU 92 7.046 -8.345 3.107 683 HD21 LEU 92 3HD2 LEU 92 9.271 -7.442 3.091 684 HD22 LEU 92 1HD2 LEU 92 10.089 -7.099 1.560 685 HD23 LEU 92 2HD2 LEU 92 9.913 -8.763 2.109 686 H ARG 93 H ARG 93 9.944 -9.541 -2.260 687 HA ARG 93 HA ARG 93 8.388 -10.058 -4.367 688 HB2 ARG 93 2HB ARG 93 11.141 -11.251 -4.207 689 HB3 ARG 93 1HB ARG 93 10.283 -10.750 -5.649 690 HG2 ARG 93 2HG ARG 93 11.507 -9.071 -3.520 691 HG3 ARG 93 1HG ARG 93 11.845 -9.097 -5.255 692 HD2 ARG 93 2HD ARG 93 9.498 -8.253 -3.791 693 HD3 ARG 93 1HD ARG 93 10.581 -7.211 -4.697 694 HE ARG 93 HE ARG 93 8.939 -9.328 -6.064 695 HH11 ARG 93 1HH1 ARG 93 9.994 -5.947 -6.244 696 HH12 ARG 93 2HH1 ARG 93 9.142 -5.677 -7.699 697 HH21 ARG 93 1HH2 ARG 93 7.789 -8.901 -7.953 698 HH22 ARG 93 2HH2 ARG 93 7.825 -7.367 -8.679 699 H GLU 94 H GLU 94 10.055 -12.351 -2.504 700 HA GLU 94 HA GLU 94 9.587 -14.560 -4.245 701 HB2 GLU 94 2HB GLU 94 10.629 -14.585 -1.471 702 HB3 GLU 94 1HB GLU 94 10.708 -15.917 -2.633 703 HG2 GLU 94 2HG GLU 94 11.732 -13.202 -3.018 704 HG3 GLU 94 1HG GLU 94 12.739 -14.602 -2.575 705 H ALA 95 H ALA 95 8.071 -13.301 -1.524 706 HA ALA 95 HA ALA 95 6.290 -15.635 -1.281 707 HB1 ALA 95 1HB ALA 95 5.650 -14.803 0.888 708 HB2 ALA 95 2HB ALA 95 6.517 -13.293 0.600 709 HB3 ALA 95 3HB ALA 95 7.413 -14.805 0.770 710 H LEU 96 H LEU 96 6.439 -12.852 -2.835 711 HA LEU 96 HA LEU 96 3.749 -11.769 -2.651 712 HB2 LEU 96 2HB LEU 96 5.952 -10.576 -3.134 713 HB3 LEU 96 1HB LEU 96 5.895 -11.332 -4.703 714 HG LEU 96 HG LEU 96 3.709 -10.152 -5.081 715 HD11 LEU 96 1HD1 LEU 96 4.569 -8.694 -2.586 716 HD12 LEU 96 2HD1 LEU 96 3.136 -9.709 -2.753 717 HD13 LEU 96 3HD1 LEU 96 3.265 -8.205 -3.663 718 HD21 LEU 96 3HD2 LEU 96 5.791 -9.383 -6.061 719 HD22 LEU 96 1HD2 LEU 96 6.189 -8.518 -4.576 720 HD23 LEU 96 2HD2 LEU 96 4.811 -8.007 -5.551 721 HA PRO 97 HA PRO 97 2.272 -14.535 -5.873 722 HB2 PRO 97 2HB PRO 97 -0.210 -13.503 -6.082 723 HB3 PRO 97 1HB PRO 97 0.227 -14.598 -4.766 724 HG2 PRO 97 2HG PRO 97 0.020 -11.622 -4.765 725 HG3 PRO 97 1HG PRO 97 -0.515 -12.769 -3.521 726 HD2 PRO 97 2HD PRO 97 1.802 -11.341 -3.352 727 HD3 PRO 97 1HD PRO 97 1.611 -12.949 -2.621 728 H ALA 98 H ALA 98 1.435 -14.123 -8.040 729 HA ALA 98 HA ALA 98 3.045 -12.168 -9.295 730 HB1 ALA 98 1HB ALA 98 0.863 -13.847 -10.513 731 HB2 ALA 98 2HB ALA 98 2.544 -14.338 -10.307 732 HB3 ALA 98 3HB ALA 98 2.140 -13.004 -11.390 733 H HIS 99 H HIS 99 -0.086 -11.990 -8.081 734 HA HIS 99 HA HIS 99 -1.248 -10.082 -9.899 735 HB2 HIS 99 2HB HIS 99 -2.040 -10.576 -7.037 736 HB3 HIS 99 1HB HIS 99 -3.048 -9.903 -8.309 737 HD1 HIS 99 1HD HIS 99 -3.175 -12.617 -6.347 738 HD2 HIS 99 2HD HIS 99 -2.732 -12.172 -10.401 739 HE1 HIS 99 1HE HIS 99 -3.981 -14.799 -7.326 740 H VAL 100 H VAL 100 0.768 -9.905 -6.942 741 HA VAL 100 HA VAL 100 0.028 -7.167 -6.650 742 HB VAL 100 HB VAL 100 1.315 -9.139 -4.754 743 HG11 VAL 100 1HG1 VAL 100 1.862 -6.856 -4.399 744 HG12 VAL 100 2HG1 VAL 100 0.855 -7.498 -3.073 745 HG13 VAL 100 3HG1 VAL 100 0.148 -6.428 -4.320 746 HG21 VAL 100 3HG2 VAL 100 -1.523 -8.134 -4.834 747 HG22 VAL 100 1HG2 VAL 100 -0.851 -9.252 -3.648 748 HG23 VAL 100 2HG2 VAL 100 -0.998 -9.737 -5.332 749 H ALA 101 H ALA 101 1.618 -5.688 -6.495 750 HA ALA 101 HA ALA 101 4.360 -6.472 -7.200 751 HB1 ALA 101 1HB ALA 101 4.535 -4.290 -8.307 752 HB2 ALA 101 2HB ALA 101 2.862 -3.946 -7.881 753 HB3 ALA 101 3HB ALA 101 3.231 -5.251 -9.010 754 H ILE 102 H ILE 102 5.837 -4.523 -6.513 755 HA ILE 102 HA ILE 102 5.026 -3.625 -3.843 756 HB ILE 102 HB ILE 102 7.728 -4.645 -4.696 757 HG12 ILE 102 2HG1 ILE 102 5.879 -5.718 -2.531 758 HG13 ILE 102 1HG1 ILE 102 6.078 -6.439 -4.123 759 HG21 ILE 102 1HG2 ILE 102 6.833 -3.221 -2.233 760 HG22 ILE 102 2HG2 ILE 102 8.045 -2.768 -3.422 761 HG23 ILE 102 3HG2 ILE 102 8.374 -4.123 -2.309 762 HD11 ILE 102 3HD1 ILE 102 8.546 -6.631 -3.536 763 HD12 ILE 102 1HD1 ILE 102 7.493 -7.733 -2.658 764 HD13 ILE 102 2HD1 ILE 102 8.078 -6.275 -1.889 765 H TRP 103 H TRP 103 5.316 -1.503 -3.627 766 HA TRP 103 HA TRP 103 7.166 -0.236 -5.561 767 HB2 TRP 103 2HB TRP 103 4.667 1.089 -4.478 768 HB3 TRP 103 1HB TRP 103 5.797 1.768 -5.634 769 HD1 TRP 103 HD TRP 103 5.641 -1.260 -7.233 770 HE1 TRP 103 1HE TRP 103 3.669 -1.546 -8.826 771 HE3 TRP 103 3HE TRP 103 2.755 2.439 -5.429 772 HZ2 TRP 103 2HZ TRP 103 1.114 -0.317 -9.231 773 HZ3 TRP 103 3HZ TRP 103 0.542 2.875 -6.469 774 HH2 TRP 103 HH TRP 103 -0.238 1.519 -8.333 775 H LYS 104 H LYS 104 8.160 1.673 -4.807 776 HA LYS 104 HA LYS 104 8.520 1.553 -1.926 777 HB2 LYS 104 2HB LYS 104 10.588 1.229 -3.128 778 HB3 LYS 104 1HB LYS 104 10.325 2.683 -4.077 779 HG2 LYS 104 2HG LYS 104 12.026 2.948 -2.278 780 HG3 LYS 104 1HG LYS 104 10.679 4.078 -2.139 781 HD2 LYS 104 2HD LYS 104 9.667 2.720 -0.413 782 HD3 LYS 104 1HD LYS 104 10.911 1.486 -0.606 783 HE2 LYS 104 2HE LYS 104 11.280 2.883 1.367 784 HE3 LYS 104 1HE LYS 104 12.592 3.022 0.211 785 HZ1 LYS 104 3HZ LYS 104 11.919 5.104 1.220 786 HZ2 LYS 104 1HZ LYS 104 10.420 5.053 0.468 787 HZ3 LYS 104 2HZ LYS 104 11.897 5.156 -0.417 788 H ALA 105 H ALA 105 7.424 2.915 -0.868 789 HA ALA 105 HA ALA 105 6.504 5.423 -1.897 790 HB1 ALA 105 1HB ALA 105 5.228 4.274 -0.152 791 HB2 ALA 105 2HB ALA 105 5.829 5.803 0.498 792 HB3 ALA 105 3HB ALA 105 6.629 4.293 0.912 793 H LEU 106 H LEU 106 8.150 6.729 -2.481 794 HA LEU 106 HA LEU 106 10.582 6.789 -0.939 795 HB2 LEU 106 2HB LEU 106 10.504 6.513 -3.429 796 HB3 LEU 106 1HB LEU 106 9.823 8.102 -3.553 797 HG LEU 106 HG LEU 106 12.594 7.646 -2.395 798 HD11 LEU 106 1HD1 LEU 106 11.838 8.232 -5.254 799 HD12 LEU 106 2HD1 LEU 106 12.529 6.726 -4.655 800 HD13 LEU 106 3HD1 LEU 106 13.476 8.214 -4.603 801 HD21 LEU 106 3HD2 LEU 106 11.580 9.844 -1.941 802 HD22 LEU 106 1HD2 LEU 106 11.318 10.074 -3.670 803 HD23 LEU 106 2HD2 LEU 106 12.959 9.978 -3.034 804 H SER 107 H SER 107 10.679 8.134 0.693 805 HA SER 107 HA SER 107 9.132 10.505 0.921 806 HB2 SER 107 2HB SER 107 11.580 9.660 2.489 807 HB3 SER 107 1HB SER 107 10.323 10.780 3.008 808 HG SER 107 HG SER 107 8.898 9.123 3.184 809 H VAL 108 H VAL 108 9.649 12.326 -0.192 810 HA VAL 108 HA VAL 108 12.190 12.575 -1.450 811 HB VAL 108 HB VAL 108 11.399 14.755 -2.291 812 HG11 VAL 108 1HG1 VAL 108 10.889 12.750 -3.548 813 HG12 VAL 108 2HG1 VAL 108 9.553 13.894 -3.677 814 HG13 VAL 108 3HG1 VAL 108 9.425 12.502 -2.599 815 HG21 VAL 108 3HG2 VAL 108 8.894 14.169 -0.710 816 HG22 VAL 108 1HG2 VAL 108 9.075 15.476 -1.879 817 HG23 VAL 108 2HG2 VAL 108 10.037 15.475 -0.401 818 H GLY 109 H GLY 109 13.804 14.077 -1.097 819 HA2 GLY 109 2HA GLY 109 13.667 15.653 1.339 820 HA3 GLY 109 1HA GLY 109 14.916 14.415 1.218 821 H GLU 110 H GLU 110 16.429 16.154 1.380 822 HA GLU 110 HA GLU 110 16.580 18.110 -0.732 823 HB2 GLU 110 2HB GLU 110 18.593 17.367 1.404 824 HB3 GLU 110 1HB GLU 110 18.633 18.801 0.389 825 HG2 GLU 110 2HG GLU 110 16.501 18.165 2.412 826 HG3 GLU 110 1HG GLU 110 17.859 19.260 2.669 827 H THR 111 H THR 111 18.274 15.200 0.298 828 HA THR 111 HA THR 111 19.907 15.209 -2.115 829 HB THR 111 HB THR 111 20.004 13.409 0.323 830 HG1 THR 111 1HG THR 111 20.709 15.922 0.140 831 HG21 THR 111 3HG2 THR 111 21.996 13.804 -1.930 832 HG22 THR 111 1HG2 THR 111 20.994 12.375 -1.682 833 HG23 THR 111 2HG2 THR 111 22.242 12.788 -0.510 834 H LEU 112 H LEU 112 19.509 13.779 -3.749 835 HA LEU 112 HA LEU 112 17.236 12.044 -3.535 836 HB2 LEU 112 2HB LEU 112 19.238 12.417 -5.782 837 HB3 LEU 112 1HB LEU 112 17.881 11.320 -5.873 838 HG LEU 112 HG LEU 112 17.298 13.206 -7.127 839 HD11 LEU 112 1HD1 LEU 112 15.484 12.415 -5.799 840 HD12 LEU 112 2HD1 LEU 112 15.375 14.168 -5.977 841 HD13 LEU 112 3HD1 LEU 112 15.952 13.467 -4.464 842 HD21 LEU 112 3HD2 LEU 112 18.100 14.960 -4.805 843 HD22 LEU 112 1HD2 LEU 112 17.377 15.517 -6.313 844 HD23 LEU 112 2HD2 LEU 112 18.981 14.779 -6.323 845 HA PRO 113 HA PRO 113 19.534 8.726 -1.748 846 HB2 PRO 113 2HB PRO 113 17.911 6.659 -2.556 847 HB3 PRO 113 1HB PRO 113 17.575 7.709 -1.179 848 HG2 PRO 113 2HG PRO 113 16.527 7.870 -3.977 849 HG3 PRO 113 1HG PRO 113 15.652 8.061 -2.447 850 HD2 PRO 113 2HD PRO 113 16.374 10.174 -3.886 851 HD3 PRO 113 1HD PRO 113 16.473 10.211 -2.110 852 H ALA 114 H ALA 114 21.221 7.549 -2.366 853 HA ALA 114 HA ALA 114 22.012 7.220 -5.063 854 HB1 ALA 114 1HB ALA 114 23.046 5.840 -2.576 855 HB2 ALA 114 2HB ALA 114 23.642 7.369 -3.222 856 HB3 ALA 114 3HB ALA 114 23.858 5.882 -4.141 857 H ARG 115 H ARG 115 20.423 5.274 -2.730 858 HA ARG 115 HA ARG 115 19.227 3.712 -4.796 859 HB2 ARG 115 2HB ARG 115 19.775 1.522 -3.880 860 HB3 ARG 115 1HB ARG 115 21.281 2.349 -4.237 861 HG2 ARG 115 2HG ARG 115 21.651 2.805 -1.923 862 HG3 ARG 115 1HG ARG 115 20.042 2.217 -1.495 863 HD2 ARG 115 2HD ARG 115 21.699 0.531 -0.952 864 HD3 ARG 115 1HD ARG 115 20.697 -0.031 -2.283 865 HE ARG 115 HE ARG 115 22.978 1.271 -3.253 866 HH11 ARG 115 1HH1 ARG 115 21.993 -1.818 -1.788 867 HH12 ARG 115 2HH1 ARG 115 23.314 -2.689 -2.389 868 HH21 ARG 115 1HH2 ARG 115 24.811 0.037 -4.092 869 HH22 ARG 115 2HH2 ARG 115 24.955 -1.608 -3.713 870 H GLU 116 H GLU 116 17.300 2.830 -4.025 871 HA GLU 116 HA GLU 116 16.570 3.736 -1.352 872 HB2 GLU 116 2HB GLU 116 14.944 3.089 -3.773 873 HB3 GLU 116 1HB GLU 116 14.233 3.087 -2.172 874 HG2 GLU 116 2HG GLU 116 15.656 5.509 -3.203 875 HG3 GLU 116 1HG GLU 116 13.965 5.201 -3.614 876 H PHE 117 H PHE 117 15.231 1.257 -3.393 877 HA PHE 117 HA PHE 117 16.454 -0.845 -1.932 878 HB2 PHE 117 2HB PHE 117 13.432 -0.422 -1.896 879 HB3 PHE 117 1HB PHE 117 14.231 -1.923 -1.420 880 HD1 PHE 117 1HD PHE 117 15.722 -1.929 0.436 881 HD2 PHE 117 2HD PHE 117 13.378 1.408 -0.460 882 HE1 PHE 117 1HE PHE 117 16.248 -0.983 2.697 883 HE2 PHE 117 2HE PHE 117 13.850 2.397 1.735 884 HZ PHE 117 HZ PHE 117 15.303 1.195 3.329 885 H GLN 118 H GLN 118 16.977 -2.195 -3.344 886 HA GLN 118 HA GLN 118 16.171 -1.912 -6.057 887 HB2 GLN 118 2HB GLN 118 17.746 -3.561 -6.585 888 HB3 GLN 118 1HB GLN 118 18.458 -2.729 -5.208 889 HG2 GLN 118 2HG GLN 118 16.989 -5.347 -5.143 890 HG3 GLN 118 1HG GLN 118 18.739 -5.169 -5.105 891 HE21 GLN 118 1HE2 GLN 118 16.802 -6.342 -3.308 892 HE22 GLN 118 2HE2 GLN 118 17.046 -5.631 -1.734 893 H HIS 119 H HIS 119 15.340 -3.694 -7.307 894 HA HIS 119 HA HIS 119 13.875 -5.229 -7.875 895 HB2 HIS 119 2HB HIS 119 15.250 -6.568 -6.131 896 HB3 HIS 119 1HB HIS 119 13.860 -6.358 -5.071 897 HD1 HIS 119 1HD HIS 119 14.595 -9.192 -5.792 898 HD2 HIS 119 2HD HIS 119 12.026 -6.891 -8.108 899 HE1 HIS 119 1HE HIS 119 13.204 -10.818 -7.157 900 H VAL 120 H VAL 120 12.957 -2.735 -7.049 901 HA VAL 120 HA VAL 120 10.296 -3.404 -5.977 902 HB VAL 120 HB VAL 120 9.850 -1.028 -5.686 903 HG11 VAL 120 1HG1 VAL 120 10.814 -2.158 -3.812 904 HG12 VAL 120 2HG1 VAL 120 11.438 -0.509 -3.879 905 HG13 VAL 120 3HG1 VAL 120 12.440 -1.853 -4.415 906 HG21 VAL 120 3HG2 VAL 120 11.159 -0.110 -7.510 907 HG22 VAL 120 1HG2 VAL 120 12.664 -0.533 -6.687 908 HG23 VAL 120 2HG2 VAL 120 11.579 0.683 -5.996 909 H ASP 121 H ASP 121 8.469 -2.542 -7.026 910 HA ASP 121 HA ASP 121 8.826 -3.066 -9.866 911 HB2 ASP 121 2HB ASP 121 7.084 -4.273 -8.735 912 HB3 ASP 121 1HB ASP 121 6.338 -2.791 -8.187 913 H LYS 122 H LYS 122 7.756 -0.455 -7.805 914 HA LYS 122 HA LYS 122 8.144 1.469 -9.934 915 HB2 LYS 122 2HB LYS 122 5.546 0.437 -9.624 916 HB3 LYS 122 1HB LYS 122 5.515 1.846 -8.620 917 HG2 LYS 122 2HG LYS 122 4.685 2.452 -10.758 918 HG3 LYS 122 1HG LYS 122 6.268 3.217 -10.566 919 HD2 LYS 122 2HD LYS 122 6.030 2.287 -12.807 920 HD3 LYS 122 1HD LYS 122 7.260 1.384 -11.920 921 HE2 LYS 122 2HE LYS 122 5.586 -0.364 -11.416 922 HE3 LYS 122 1HE LYS 122 4.383 0.555 -12.321 923 HZ1 LYS 122 3HZ LYS 122 6.892 -0.559 -13.433 924 HZ2 LYS 122 1HZ LYS 122 5.681 0.224 -14.309 925 HZ3 LYS 122 2HZ LYS 122 5.369 -1.267 -13.593 926 H TYR 123 H TYR 123 8.036 3.727 -8.874 927 HA TYR 123 HA TYR 123 7.887 3.474 -5.984 928 HB2 TYR 123 2HB TYR 123 9.725 4.908 -5.554 929 HB3 TYR 123 1HB TYR 123 10.296 3.693 -6.675 930 HD1 TYR 123 1HD TYR 123 10.785 4.313 -8.983 931 HD2 TYR 123 2HD TYR 123 9.603 7.166 -6.098 932 HE1 TYR 123 1HE TYR 123 11.636 6.077 -10.405 933 HE2 TYR 123 2HE TYR 123 10.419 8.950 -7.467 934 HH TYR 123 HH TYR 123 11.209 8.565 -10.706 935 H VAL 124 H VAL 124 7.078 5.127 -4.863 936 HA VAL 124 HA VAL 124 5.669 7.130 -6.465 937 HB VAL 124 HB VAL 124 3.661 6.885 -5.051 938 HG11 VAL 124 1HG1 VAL 124 4.456 4.278 -6.329 939 HG12 VAL 124 2HG1 VAL 124 3.724 5.657 -7.141 940 HG13 VAL 124 3HG1 VAL 124 2.810 4.766 -5.926 941 HG21 VAL 124 3HG2 VAL 124 4.684 6.019 -3.018 942 HG22 VAL 124 1HG2 VAL 124 5.074 4.505 -3.834 943 HG23 VAL 124 2HG2 VAL 124 3.390 4.946 -3.551 944 H LEU 125 H LEU 125 4.683 8.742 -4.773 945 HA LEU 125 HA LEU 125 6.933 9.575 -3.166 946 HB2 LEU 125 2HB LEU 125 4.266 10.937 -3.634 947 HB3 LEU 125 1HB LEU 125 5.612 11.628 -2.764 948 HG LEU 125 HG LEU 125 5.634 12.680 -4.822 949 HD11 LEU 125 1HD1 LEU 125 7.659 10.485 -5.044 950 HD12 LEU 125 2HD1 LEU 125 7.830 12.006 -4.169 951 HD13 LEU 125 3HD1 LEU 125 7.684 12.012 -5.925 952 HD21 LEU 125 3HD2 LEU 125 5.328 10.009 -6.201 953 HD22 LEU 125 1HD2 LEU 125 5.551 11.558 -7.015 954 HD23 LEU 125 2HD2 LEU 125 4.094 11.265 -6.067 955 H ASP 126 H ASP 126 7.031 9.372 -1.035 956 HA ASP 126 HA ASP 126 5.201 7.660 0.265 957 HB2 ASP 126 2HB ASP 126 7.549 7.758 0.963 958 HB3 ASP 126 1HB ASP 126 7.333 9.420 1.489 959 H ASN 127 H ASN 127 3.237 8.181 0.695 960 HA ASN 127 HA ASN 127 2.628 10.836 1.738 961 HB2 ASN 127 2HB ASN 127 0.864 8.642 0.641 962 HB3 ASN 127 1HB ASN 127 0.172 9.976 1.569 963 HD21 ASN 127 1HD2 ASN 127 2.667 9.876 -0.932 964 HD22 ASN 127 2HD2 ASN 127 1.865 10.956 -2.024 965 H GLY 128 H GLY 128 1.753 11.065 3.793 966 HA2 GLY 128 2HA GLY 128 0.834 9.118 5.449 967 HA3 GLY 128 1HA GLY 128 2.589 9.074 5.617 968 H GLN 129 H GLN 129 2.123 9.726 7.814 969 HA GLN 129 HA GLN 129 1.651 12.620 8.024 970 HB2 GLN 129 2HB GLN 129 0.994 10.520 10.095 971 HB3 GLN 129 1HB GLN 129 0.641 12.240 10.173 972 HG2 GLN 129 2HG GLN 129 -0.935 12.034 8.348 973 HG3 GLN 129 1HG GLN 129 -0.533 10.327 8.176 974 HE21 GLN 129 1HE2 GLN 129 -0.895 12.004 11.219 975 HE22 GLN 129 2HE2 GLN 129 -2.302 11.162 11.730 976 H GLY 130 H GLY 130 3.214 13.695 9.174 977 HA2 GLY 130 2HA GLY 130 5.025 12.216 10.874 978 HA3 GLY 130 1HA GLY 130 5.724 12.987 9.451 979 H GLY 131 H GLY 131 6.770 13.931 11.576 980 HA2 GLY 131 2HA GLY 131 6.585 16.556 11.645 981 HA3 GLY 131 1HA GLY 131 5.205 16.113 12.647 982 H ALA 132 H ALA 132 7.725 17.460 13.280 983 HA ALA 132 HA ALA 132 8.929 15.582 15.183 984 HB1 ALA 132 1HB ALA 132 9.803 18.343 14.318 985 HB2 ALA 132 2HB ALA 132 10.473 16.815 13.742 986 HB3 ALA 132 3HB ALA 132 10.684 17.292 15.425 987 H GLY 133 H GLY 133 6.806 18.206 14.926 988 HA2 GLY 133 2HA GLY 133 6.003 18.041 17.639 989 HA3 GLY 133 1HA GLY 133 6.918 19.516 17.320 990 H SER 134 H SER 134 3.964 17.853 16.817 991 HA SER 134 HA SER 134 2.878 20.265 15.612 992 HB2 SER 134 2HB SER 134 3.513 18.621 13.819 993 HB3 SER 134 1HB SER 134 2.405 17.470 14.549 994 HG SER 134 HG SER 134 1.856 19.087 12.722 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -8.003 14.957 -11.065 2 H2 MET 1 2HT MET 1 -6.749 16.045 -11.052 3 H3 MET 1 3HT MET 1 -6.677 14.679 -10.069 4 HA MET 1 HA MET 1 -6.698 14.772 -13.048 5 HB2 MET 1 2HB MET 1 -4.546 15.482 -11.995 6 HB3 MET 1 1HB MET 1 -4.488 13.951 -11.154 7 HG2 MET 1 2HG MET 1 -4.530 14.094 -14.150 8 HG3 MET 1 1HG MET 1 -3.031 14.242 -13.245 9 HE1 MET 1 2HE MET 1 -2.000 12.245 -11.780 10 HE2 MET 1 3HE MET 1 -2.789 10.684 -11.561 11 HE3 MET 1 1HE MET 1 -3.502 12.135 -10.861 12 H GLY 2 H GLY 2 -6.009 12.519 -10.344 13 HA2 GLY 2 2HA GLY 2 -7.784 10.582 -11.572 14 HA3 GLY 2 1HA GLY 2 -6.080 10.131 -11.457 15 H GLU 3 H GLU 3 -7.909 12.115 -9.277 16 HA GLU 3 HA GLU 3 -6.997 10.422 -7.149 17 HB2 GLU 3 2HB GLU 3 -8.462 13.062 -7.002 18 HB3 GLU 3 1HB GLU 3 -7.881 12.120 -5.635 19 HG2 GLU 3 2HG GLU 3 -6.329 13.882 -5.963 20 HG3 GLU 3 1HG GLU 3 -5.555 12.410 -6.526 21 H ASN 4 H ASN 4 -8.091 8.832 -6.664 22 HA ASN 4 HA ASN 4 -10.913 8.978 -6.188 23 HB2 ASN 4 2HB ASN 4 -11.452 6.950 -7.576 24 HB3 ASN 4 1HB ASN 4 -10.817 8.215 -8.584 25 HD21 ASN 4 1HD2 ASN 4 -8.072 7.899 -8.291 26 HD22 ASN 4 2HD2 ASN 4 -7.601 6.356 -8.850 27 H LYS 5 H LYS 5 -8.560 8.973 -4.763 28 HA LYS 5 HA LYS 5 -7.995 6.298 -3.981 29 HB2 LYS 5 2HB LYS 5 -6.386 7.327 -2.307 30 HB3 LYS 5 1HB LYS 5 -6.026 7.565 -4.005 31 HG2 LYS 5 2HG LYS 5 -6.549 9.837 -3.914 32 HG3 LYS 5 1HG LYS 5 -7.495 9.648 -2.435 33 HD2 LYS 5 2HD LYS 5 -5.325 10.761 -2.037 34 HD3 LYS 5 1HD LYS 5 -5.502 9.258 -1.142 35 HE2 LYS 5 2HE LYS 5 -4.128 8.126 -2.894 36 HE3 LYS 5 1HE LYS 5 -3.899 9.695 -3.668 37 HZ1 LYS 5 3HZ LYS 5 -3.084 9.037 -0.892 38 HZ2 LYS 5 1HZ LYS 5 -2.811 10.490 -1.669 39 HZ3 LYS 5 2HZ LYS 5 -2.018 9.098 -2.177 40 H VAL 6 H VAL 6 -9.629 5.409 -2.992 41 HA VAL 6 HA VAL 6 -11.098 6.673 -0.946 42 HB VAL 6 HB VAL 6 -10.875 3.715 -1.607 43 HG11 VAL 6 1HG1 VAL 6 -12.930 5.177 0.062 44 HG12 VAL 6 2HG1 VAL 6 -11.705 4.070 0.672 45 HG13 VAL 6 3HG1 VAL 6 -12.988 3.470 -0.378 46 HG21 VAL 6 3HG2 VAL 6 -12.912 5.780 -2.421 47 HG22 VAL 6 1HG2 VAL 6 -13.030 4.049 -2.735 48 HG23 VAL 6 2HG2 VAL 6 -11.734 4.995 -3.469 49 H CYS 7 H CYS 7 -10.202 7.249 0.760 50 HA CYS 7 HA CYS 7 -8.196 5.732 2.276 51 HB2 CYS 7 2HB CYS 7 -9.558 8.389 2.862 52 HB3 CYS 7 1HB CYS 7 -8.075 7.773 3.592 53 HG CYS 7 HG CYS 7 -8.295 8.464 0.261 54 H GLY 8 H GLY 8 -8.926 5.592 4.882 55 HA2 GLY 8 2HA GLY 8 -11.222 4.071 5.012 56 HA3 GLY 8 1HA GLY 8 -10.494 4.931 6.378 57 H LEU 9 H LEU 9 -13.224 4.579 4.739 58 HA LEU 9 HA LEU 9 -13.976 7.403 4.870 59 HB2 LEU 9 2HB LEU 9 -13.520 6.226 2.608 60 HB3 LEU 9 1HB LEU 9 -15.026 5.396 2.909 61 HG LEU 9 HG LEU 9 -16.190 7.568 2.928 62 HD11 LEU 9 1HD1 LEU 9 -14.967 9.544 2.088 63 HD12 LEU 9 2HD1 LEU 9 -13.459 8.637 2.181 64 HD13 LEU 9 3HD1 LEU 9 -14.359 9.010 3.651 65 HD21 LEU 9 3HD2 LEU 9 -16.048 6.256 0.890 66 HD22 LEU 9 1HD2 LEU 9 -14.501 7.006 0.497 67 HD23 LEU 9 2HD2 LEU 9 -15.969 7.979 0.528 68 H THR 10 H THR 10 -16.597 7.379 4.731 69 HA THR 10 HA THR 10 -17.402 5.260 6.541 70 HB THR 10 HB THR 10 -17.056 7.354 7.817 71 HG1 THR 10 1HG THR 10 -19.186 5.857 7.847 72 HG21 THR 10 3HG2 THR 10 -18.505 9.304 7.459 73 HG22 THR 10 1HG2 THR 10 -19.226 8.510 6.058 74 HG23 THR 10 2HG2 THR 10 -17.526 8.979 6.027 75 H ARG 11 H ARG 11 -17.753 6.462 3.548 76 HA ARG 11 HA ARG 11 -20.537 5.659 3.504 77 HB2 ARG 11 2HB ARG 11 -19.260 7.773 1.814 78 HB3 ARG 11 1HB ARG 11 -20.912 7.224 1.632 79 HG2 ARG 11 2HG ARG 11 -21.427 8.153 3.836 80 HG3 ARG 11 1HG ARG 11 -19.740 8.671 4.000 81 HD2 ARG 11 2HD ARG 11 -20.030 9.935 1.847 82 HD3 ARG 11 1HD ARG 11 -21.746 9.561 1.955 83 HE ARG 11 HE ARG 11 -21.275 10.699 4.309 84 HH11 ARG 11 1HH1 ARG 11 -20.578 11.722 1.002 85 HH12 ARG 11 2HH1 ARG 11 -20.513 13.388 1.389 86 HH21 ARG 11 1HH2 ARG 11 -21.212 12.953 4.811 87 HH22 ARG 11 2HH2 ARG 11 -20.911 14.105 3.591 88 H GLY 12 H GLY 12 -20.582 3.768 2.444 89 HA2 GLY 12 2HA GLY 12 -18.842 2.525 0.694 90 HA3 GLY 12 1HA GLY 12 -20.623 2.409 0.875 91 H GLN 13 H GLN 13 -21.416 4.694 0.194 92 HA GLN 13 HA GLN 13 -21.787 4.464 -2.583 93 HB2 GLN 13 2HB GLN 13 -22.588 6.570 -0.571 94 HB3 GLN 13 1HB GLN 13 -23.152 6.539 -2.226 95 HG2 GLN 13 2HG GLN 13 -24.651 5.599 -0.289 96 HG3 GLN 13 1HG GLN 13 -24.612 4.797 -1.846 97 HE21 GLN 13 1HE2 GLN 13 -23.087 4.665 1.416 98 HE22 GLN 13 2HE2 GLN 13 -23.020 2.961 1.453 99 H ASP 14 H ASP 14 -20.091 6.623 -0.474 100 HA ASP 14 HA ASP 14 -19.219 8.474 -2.476 101 HB2 ASP 14 2HB ASP 14 -19.606 8.879 -0.004 102 HB3 ASP 14 1HB ASP 14 -18.135 7.986 0.281 103 H ALA 15 H ALA 15 -18.099 5.561 -1.007 104 HA ALA 15 HA ALA 15 -15.447 5.593 -1.991 105 HB1 ALA 15 1HB ALA 15 -16.087 4.181 -0.111 106 HB2 ALA 15 2HB ALA 15 -15.481 3.168 -1.433 107 HB3 ALA 15 3HB ALA 15 -17.219 3.302 -1.121 108 H LYS 16 H LYS 16 -18.491 4.110 -3.148 109 HA LYS 16 HA LYS 16 -17.257 3.052 -5.468 110 HB2 LYS 16 2HB LYS 16 -19.442 2.521 -6.360 111 HB3 LYS 16 1HB LYS 16 -19.334 2.045 -4.684 112 HG2 LYS 16 2HG LYS 16 -20.646 4.035 -4.077 113 HG3 LYS 16 1HG LYS 16 -20.754 4.466 -5.784 114 HD2 LYS 16 2HD LYS 16 -21.877 2.321 -6.244 115 HD3 LYS 16 1HD LYS 16 -21.807 1.931 -4.529 116 HE2 LYS 16 2HE LYS 16 -24.018 2.759 -5.120 117 HE3 LYS 16 1HE LYS 16 -23.220 3.881 -4.030 118 HZ1 LYS 16 3HZ LYS 16 -22.705 5.304 -5.925 119 HZ2 LYS 16 1HZ LYS 16 -24.348 5.018 -5.827 120 HZ3 LYS 16 2HZ LYS 16 -23.418 4.226 -6.991 121 H ALA 17 H ALA 17 -18.468 6.159 -4.763 122 HA ALA 17 HA ALA 17 -18.796 7.142 -7.353 123 HB1 ALA 17 1HB ALA 17 -17.729 8.602 -4.934 124 HB2 ALA 17 2HB ALA 17 -19.432 8.401 -5.341 125 HB3 ALA 17 3HB ALA 17 -18.379 9.356 -6.389 126 H ALA 18 H ALA 18 -15.903 6.483 -5.511 127 HA ALA 18 HA ALA 18 -14.081 7.829 -7.256 128 HB1 ALA 18 1HB ALA 18 -13.545 7.414 -4.915 129 HB2 ALA 18 2HB ALA 18 -12.370 6.578 -5.931 130 HB3 ALA 18 3HB ALA 18 -13.682 5.684 -5.178 131 H TYR 19 H TYR 19 -15.148 4.533 -6.793 132 HA TYR 19 HA TYR 19 -13.650 3.401 -8.922 133 HB2 TYR 19 2HB TYR 19 -14.234 1.634 -7.686 134 HB3 TYR 19 1HB TYR 19 -15.507 2.534 -6.905 135 HD1 TYR 19 1HD TYR 19 -14.656 0.494 -9.821 136 HD2 TYR 19 2HD TYR 19 -17.756 2.093 -7.466 137 HE1 TYR 19 1HE TYR 19 -16.300 -0.988 -10.995 138 HE2 TYR 19 2HE TYR 19 -19.405 0.667 -8.585 139 HH TYR 19 HH TYR 19 -18.570 -1.958 -10.409 140 H ASP 20 H ASP 20 -16.762 4.822 -8.719 141 HA ASP 20 HA ASP 20 -17.599 4.200 -11.365 142 HB2 ASP 20 2HB ASP 20 -19.192 4.961 -9.659 143 HB3 ASP 20 1HB ASP 20 -18.390 6.522 -9.594 144 H ALA 21 H ALA 21 -15.603 6.674 -9.974 145 HA ALA 21 HA ALA 21 -15.637 8.404 -12.251 146 HB1 ALA 21 1HB ALA 21 -13.912 9.654 -11.087 147 HB2 ALA 21 2HB ALA 21 -13.715 8.316 -9.950 148 HB3 ALA 21 3HB ALA 21 -15.222 9.231 -9.977 149 H GLY 22 H GLY 22 -13.604 5.659 -11.247 150 HA2 GLY 22 2HA GLY 22 -12.690 5.509 -13.904 151 HA3 GLY 22 1HA GLY 22 -11.446 6.104 -12.820 152 H ALA 23 H ALA 23 -12.577 4.455 -10.539 153 HA ALA 23 HA ALA 23 -12.085 2.469 -9.547 154 HB1 ALA 23 1HB ALA 23 -13.710 1.549 -11.208 155 HB2 ALA 23 2HB ALA 23 -12.451 0.392 -10.780 156 HB3 ALA 23 3HB ALA 23 -12.365 1.263 -12.314 157 H ILE 24 H ILE 24 -10.139 4.167 -10.455 158 HA ILE 24 HA ILE 24 -8.088 2.838 -11.870 159 HB ILE 24 HB ILE 24 -7.876 5.312 -10.169 160 HG12 ILE 24 2HG1 ILE 24 -8.585 5.104 -13.111 161 HG13 ILE 24 1HG1 ILE 24 -9.732 5.517 -11.836 162 HG21 ILE 24 1HG2 ILE 24 -6.256 4.346 -12.531 163 HG22 ILE 24 2HG2 ILE 24 -5.765 4.247 -10.853 164 HG23 ILE 24 3HG2 ILE 24 -5.959 5.835 -11.619 165 HD11 ILE 24 3HD1 ILE 24 -8.439 7.545 -11.367 166 HD12 ILE 24 1HD1 ILE 24 -8.997 7.491 -13.042 167 HD13 ILE 24 2HD1 ILE 24 -7.313 7.119 -12.654 168 H TYR 25 H TYR 25 -8.356 4.003 -8.574 169 HA TYR 25 HA TYR 25 -7.377 1.722 -7.260 170 HB2 TYR 25 2HB TYR 25 -5.094 1.951 -7.056 171 HB3 TYR 25 1HB TYR 25 -5.281 2.680 -8.648 172 HD1 TYR 25 1HD TYR 25 -5.141 5.116 -8.887 173 HD2 TYR 25 2HD TYR 25 -4.580 3.137 -5.211 174 HE1 TYR 25 1HE TYR 25 -4.186 7.139 -7.970 175 HE2 TYR 25 2HE TYR 25 -3.666 4.986 -4.245 176 HH TYR 25 HH TYR 25 -3.568 8.169 -6.028 177 H GLY 26 H GLY 26 -6.892 2.048 -5.085 178 HA2 GLY 26 2HA GLY 26 -8.092 4.478 -4.050 179 HA3 GLY 26 1HA GLY 26 -8.577 2.892 -3.445 180 H GLY 27 H GLY 27 -6.773 5.377 -2.623 181 HA2 GLY 27 2HA GLY 27 -4.460 3.834 -1.743 182 HA3 GLY 27 1HA GLY 27 -4.559 5.589 -1.818 183 H LEU 28 H LEU 28 -5.507 2.748 -0.059 184 HA LEU 28 HA LEU 28 -6.070 4.467 2.178 185 HB2 LEU 28 2HB LEU 28 -7.506 2.656 3.142 186 HB3 LEU 28 1HB LEU 28 -8.171 3.414 1.729 187 HG LEU 28 HG LEU 28 -8.722 1.059 1.808 188 HD11 LEU 28 1HD1 LEU 28 -8.005 0.275 -0.342 189 HD12 LEU 28 2HD1 LEU 28 -6.810 1.567 -0.430 190 HD13 LEU 28 3HD1 LEU 28 -8.532 1.958 -0.384 191 HD21 LEU 28 3HD2 LEU 28 -7.114 -0.736 1.640 192 HD22 LEU 28 1HD2 LEU 28 -6.807 0.234 3.087 193 HD23 LEU 28 2HD2 LEU 28 -5.787 0.417 1.637 194 H ILE 29 H ILE 29 -5.383 3.738 4.119 195 HA ILE 29 HA ILE 29 -3.311 1.751 3.815 196 HB ILE 29 HB ILE 29 -2.144 2.866 5.792 197 HG12 ILE 29 2HG1 ILE 29 -3.625 5.241 4.604 198 HG13 ILE 29 1HG1 ILE 29 -3.890 4.589 6.218 199 HG21 ILE 29 1HG2 ILE 29 -2.107 3.873 2.978 200 HG22 ILE 29 2HG2 ILE 29 -1.409 2.409 3.688 201 HG23 ILE 29 3HG2 ILE 29 -0.771 3.999 4.170 202 HD11 ILE 29 3HD1 ILE 29 -1.345 5.842 5.207 203 HD12 ILE 29 1HD1 ILE 29 -1.597 5.190 6.826 204 HD13 ILE 29 2HD1 ILE 29 -2.521 6.594 6.288 205 H PHE 30 H PHE 30 -2.677 0.520 5.361 206 HA PHE 30 HA PHE 30 -5.027 -0.526 6.739 207 HB2 PHE 30 2HB PHE 30 -2.274 -1.728 7.039 208 HB3 PHE 30 1HB PHE 30 -3.823 -2.492 7.305 209 HD1 PHE 30 1HD PHE 30 -1.341 -1.460 4.931 210 HD2 PHE 30 2HD PHE 30 -5.093 -3.426 5.392 211 HE1 PHE 30 1HE PHE 30 -1.077 -2.394 2.736 212 HE2 PHE 30 2HE PHE 30 -4.827 -4.380 3.066 213 HZ PHE 30 HZ PHE 30 -2.750 -3.818 1.768 214 H VAL 31 H VAL 31 -5.173 1.325 8.215 215 HA VAL 31 HA VAL 31 -3.388 0.787 10.446 216 HB VAL 31 HB VAL 31 -5.181 3.211 10.070 217 HG11 VAL 31 1HG1 VAL 31 -4.073 4.018 12.137 218 HG12 VAL 31 2HG1 VAL 31 -3.261 2.429 12.225 219 HG13 VAL 31 3HG1 VAL 31 -5.001 2.521 12.359 220 HG21 VAL 31 3HG2 VAL 31 -2.165 2.983 10.014 221 HG22 VAL 31 1HG2 VAL 31 -3.089 4.481 9.889 222 HG23 VAL 31 2HG2 VAL 31 -3.197 3.270 8.612 223 H ALA 32 H ALA 32 -4.130 -0.441 11.856 224 HA ALA 32 HA ALA 32 -6.600 -1.685 11.566 225 HB1 ALA 32 1HB ALA 32 -4.787 -1.695 13.963 226 HB2 ALA 32 2HB ALA 32 -4.677 -2.788 12.582 227 HB3 ALA 32 3HB ALA 32 -6.091 -2.839 13.640 228 H THR 33 H THR 33 -8.429 -0.966 11.965 229 HA THR 33 HA THR 33 -10.236 -0.134 12.869 230 HB THR 33 HB THR 33 -10.412 0.230 15.362 231 HG1 THR 33 1HG THR 33 -7.693 0.163 15.151 232 HG21 THR 33 3HG2 THR 33 -10.030 -2.116 15.981 233 HG22 THR 33 1HG2 THR 33 -9.085 -2.334 14.506 234 HG23 THR 33 2HG2 THR 33 -10.809 -1.971 14.403 235 H SER 34 H SER 34 -8.355 1.689 11.588 236 HA SER 34 HA SER 34 -8.925 4.154 12.979 237 HB2 SER 34 2HB SER 34 -6.706 3.789 11.921 238 HB3 SER 34 1HB SER 34 -7.525 3.538 10.380 239 HG SER 34 HG SER 34 -7.149 5.880 11.870 240 HA PRO 35 HA PRO 35 -12.377 4.472 10.165 241 HB2 PRO 35 2HB PRO 35 -13.391 6.828 10.922 242 HB3 PRO 35 1HB PRO 35 -13.441 5.431 12.005 243 HG2 PRO 35 2HG PRO 35 -11.664 7.817 12.080 244 HG3 PRO 35 1HG PRO 35 -12.284 6.837 13.417 245 HD2 PRO 35 2HD PRO 35 -9.715 6.650 12.224 246 HD3 PRO 35 1HD PRO 35 -10.437 5.520 13.388 247 H ARG 36 H ARG 36 -9.590 6.198 9.895 248 HA ARG 36 HA ARG 36 -10.590 7.417 7.424 249 HB2 ARG 36 2HB ARG 36 -9.926 9.058 9.248 250 HB3 ARG 36 1HB ARG 36 -8.272 8.498 9.035 251 HG2 ARG 36 2HG ARG 36 -8.321 9.214 6.707 252 HG3 ARG 36 1HG ARG 36 -9.984 9.760 6.907 253 HD2 ARG 36 2HD ARG 36 -9.224 11.343 8.627 254 HD3 ARG 36 1HD ARG 36 -7.562 10.822 8.341 255 HE ARG 36 HE ARG 36 -8.838 11.601 5.945 256 HH11 ARG 36 1HH1 ARG 36 -7.304 12.953 8.824 257 HH12 ARG 36 2HH1 ARG 36 -6.824 14.395 8.049 258 HH21 ARG 36 1HH2 ARG 36 -8.160 13.585 4.896 259 HH22 ARG 36 2HH2 ARG 36 -7.329 14.764 5.783 260 H CYS 37 H CYS 37 -9.064 4.847 8.433 261 HA CYS 37 HA CYS 37 -7.373 4.630 6.115 262 HB2 CYS 37 2HB CYS 37 -6.433 4.009 8.917 263 HB3 CYS 37 1HB CYS 37 -5.499 3.767 7.446 264 HG CYS 37 HG CYS 37 -5.820 6.409 9.397 265 H VAL 38 H VAL 38 -7.793 2.544 5.326 266 HA VAL 38 HA VAL 38 -9.473 1.025 7.116 267 HB VAL 38 HB VAL 38 -9.792 1.770 4.277 268 HG11 VAL 38 1HG1 VAL 38 -11.081 -0.221 3.689 269 HG12 VAL 38 2HG1 VAL 38 -10.572 -0.998 5.192 270 HG13 VAL 38 3HG1 VAL 38 -9.383 -0.609 3.951 271 HG21 VAL 38 3HG2 VAL 38 -11.736 0.819 6.352 272 HG22 VAL 38 1HG2 VAL 38 -12.122 1.670 4.866 273 HG23 VAL 38 2HG2 VAL 38 -11.237 2.488 6.171 274 H ASN 39 H ASN 39 -9.165 -0.972 7.510 275 HA ASN 39 HA ASN 39 -6.825 -2.358 6.395 276 HB2 ASN 39 2HB ASN 39 -7.060 -3.755 8.509 277 HB3 ASN 39 1HB ASN 39 -6.402 -2.153 8.717 278 HD21 ASN 39 1HD2 ASN 39 -8.815 -4.296 9.474 279 HD22 ASN 39 2HD2 ASN 39 -9.762 -3.266 10.494 280 H VAL 40 H VAL 40 -7.109 -4.818 6.655 281 HA VAL 40 HA VAL 40 -8.714 -5.500 4.517 282 HB VAL 40 HB VAL 40 -6.867 -6.935 5.138 283 HG11 VAL 40 1HG1 VAL 40 -8.423 -7.628 7.598 284 HG12 VAL 40 2HG1 VAL 40 -6.926 -6.695 7.493 285 HG13 VAL 40 3HG1 VAL 40 -6.928 -8.408 7.067 286 HG21 VAL 40 3HG2 VAL 40 -7.885 -9.177 5.055 287 HG22 VAL 40 1HG2 VAL 40 -8.614 -8.065 3.893 288 HG23 VAL 40 2HG2 VAL 40 -9.453 -8.442 5.391 289 H GLU 41 H GLU 41 -9.563 -5.406 7.826 290 HA GLU 41 HA GLU 41 -11.857 -6.918 7.814 291 HB2 GLU 41 2HB GLU 41 -10.851 -4.698 9.466 292 HB3 GLU 41 1HB GLU 41 -12.428 -5.418 9.746 293 HG2 GLU 41 2HG GLU 41 -11.059 -6.594 11.157 294 HG3 GLU 41 1HG GLU 41 -11.227 -7.634 9.790 295 H GLN 42 H GLN 42 -11.612 -3.292 7.792 296 HA GLN 42 HA GLN 42 -14.294 -2.952 7.005 297 HB2 GLN 42 2HB GLN 42 -11.901 -1.164 6.886 298 HB3 GLN 42 1HB GLN 42 -13.556 -0.634 6.613 299 HG2 GLN 42 2HG GLN 42 -14.157 -0.928 8.801 300 HG3 GLN 42 1HG GLN 42 -12.832 -2.062 9.127 301 HE21 GLN 42 1HE2 GLN 42 -10.900 -1.278 9.587 302 HE22 GLN 42 2HE2 GLN 42 -10.630 0.374 9.913 303 H ALA 43 H ALA 43 -11.279 -3.257 5.241 304 HA ALA 43 HA ALA 43 -12.179 -2.343 2.744 305 HB1 ALA 43 1HB ALA 43 -10.030 -4.386 3.283 306 HB2 ALA 43 2HB ALA 43 -9.797 -2.640 3.291 307 HB3 ALA 43 3HB ALA 43 -10.241 -3.466 1.794 308 H GLN 44 H GLN 44 -12.698 -5.311 4.411 309 HA GLN 44 HA GLN 44 -13.306 -6.985 2.253 310 HB2 GLN 44 2HB GLN 44 -13.078 -7.371 4.862 311 HB3 GLN 44 1HB GLN 44 -14.841 -7.238 4.794 312 HG2 GLN 44 2HG GLN 44 -14.707 -9.441 4.433 313 HG3 GLN 44 1HG GLN 44 -14.331 -8.959 2.777 314 HE21 GLN 44 1HE2 GLN 44 -11.636 -7.860 3.633 315 HE22 GLN 44 2HE2 GLN 44 -10.696 -9.231 3.970 316 H GLU 45 H GLU 45 -15.028 -4.463 3.865 317 HA GLU 45 HA GLU 45 -17.630 -5.004 2.721 318 HB2 GLU 45 2HB GLU 45 -16.523 -2.530 4.028 319 HB3 GLU 45 1HB GLU 45 -18.207 -2.842 3.688 320 HG2 GLU 45 2HG GLU 45 -16.536 -4.469 5.594 321 HG3 GLU 45 1HG GLU 45 -17.681 -3.208 6.062 322 H VAL 46 H VAL 46 -15.020 -2.708 2.433 323 HA VAL 46 HA VAL 46 -16.147 -1.033 0.509 324 HB VAL 46 HB VAL 46 -13.196 -1.419 1.092 325 HG11 VAL 46 1HG1 VAL 46 -13.624 -0.134 -0.929 326 HG12 VAL 46 2HG1 VAL 46 -12.987 0.888 0.380 327 HG13 VAL 46 3HG1 VAL 46 -14.714 0.911 -0.003 328 HG21 VAL 46 3HG2 VAL 46 -14.419 -0.975 3.145 329 HG22 VAL 46 1HG2 VAL 46 -15.203 0.419 2.397 330 HG23 VAL 46 2HG2 VAL 46 -13.462 0.431 2.681 331 H MET 47 H MET 47 -14.217 -3.942 0.159 332 HA MET 47 HA MET 47 -13.626 -3.665 -2.568 333 HB2 MET 47 2HB MET 47 -13.064 -6.036 -2.575 334 HB3 MET 47 1HB MET 47 -12.443 -5.267 -1.126 335 HG2 MET 47 2HG MET 47 -14.491 -6.149 0.056 336 HG3 MET 47 1HG MET 47 -14.800 -7.099 -1.392 337 HE1 MET 47 3HE MET 47 -11.565 -9.393 -1.478 338 HE2 MET 47 1HE MET 47 -11.780 -7.837 -2.279 339 HE3 MET 47 2HE MET 47 -13.086 -9.027 -2.287 340 H ALA 48 H ALA 48 -16.559 -4.533 -1.035 341 HA ALA 48 HA ALA 48 -17.680 -5.602 -3.503 342 HB1 ALA 48 1HB ALA 48 -18.942 -5.169 -0.792 343 HB2 ALA 48 2HB ALA 48 -18.280 -6.689 -1.389 344 HB3 ALA 48 3HB ALA 48 -19.703 -5.984 -2.157 345 H ALA 49 H ALA 49 -17.344 -2.695 -1.807 346 HA ALA 49 HA ALA 49 -19.686 -1.421 -2.932 347 HB1 ALA 49 1HB ALA 49 -18.970 -0.850 -0.651 348 HB2 ALA 49 2HB ALA 49 -18.954 0.564 -1.707 349 HB3 ALA 49 3HB ALA 49 -17.442 -0.244 -1.290 350 H ALA 50 H ALA 50 -16.065 -0.982 -3.190 351 HA ALA 50 HA ALA 50 -16.540 0.095 -5.794 352 HB1 ALA 50 1HB ALA 50 -16.205 1.934 -4.231 353 HB2 ALA 50 2HB ALA 50 -14.793 1.735 -5.271 354 HB3 ALA 50 3HB ALA 50 -14.755 1.149 -3.613 355 HA PRO 51 HA PRO 51 -13.455 -3.336 -5.833 356 HB2 PRO 51 2HB PRO 51 -14.004 -4.094 -8.407 357 HB3 PRO 51 1HB PRO 51 -14.872 -4.708 -6.999 358 HG2 PRO 51 2HG PRO 51 -15.671 -2.612 -8.954 359 HG3 PRO 51 1HG PRO 51 -16.664 -3.835 -8.152 360 HD2 PRO 51 2HD PRO 51 -16.577 -1.218 -7.406 361 HD3 PRO 51 1HD PRO 51 -16.961 -2.543 -6.290 362 H LEU 52 H LEU 52 -12.600 -0.863 -5.967 363 HA LEU 52 HA LEU 52 -11.181 -0.483 -8.455 364 HB2 LEU 52 2HB LEU 52 -10.297 1.582 -7.066 365 HB3 LEU 52 1HB LEU 52 -11.872 1.672 -7.806 366 HG LEU 52 HG LEU 52 -12.712 0.846 -5.495 367 HD11 LEU 52 1HD1 LEU 52 -11.410 1.542 -3.601 368 HD12 LEU 52 2HD1 LEU 52 -10.043 1.903 -4.663 369 HD13 LEU 52 3HD1 LEU 52 -10.642 0.244 -4.509 370 HD21 LEU 52 3HD2 LEU 52 -13.287 2.991 -6.314 371 HD22 LEU 52 1HD2 LEU 52 -11.684 3.647 -5.919 372 HD23 LEU 52 2HD2 LEU 52 -12.797 3.130 -4.641 373 H GLN 53 H GLN 53 -8.786 0.005 -8.275 374 HA GLN 53 HA GLN 53 -7.493 -2.289 -7.434 375 HB2 GLN 53 2HB GLN 53 -7.002 -0.472 -9.215 376 HB3 GLN 53 1HB GLN 53 -6.170 0.315 -7.882 377 HG2 GLN 53 2HG GLN 53 -5.069 -1.892 -7.536 378 HG3 GLN 53 1HG GLN 53 -5.708 -2.207 -9.172 379 HE21 GLN 53 1HE2 GLN 53 -3.385 -0.380 -7.317 380 HE22 GLN 53 2HE2 GLN 53 -2.510 0.250 -8.666 381 H TYR 54 H TYR 54 -6.491 -2.712 -5.504 382 HA TYR 54 HA TYR 54 -6.466 -0.532 -3.561 383 HB2 TYR 54 2HB TYR 54 -6.362 -3.511 -3.040 384 HB3 TYR 54 1HB TYR 54 -6.322 -2.247 -1.808 385 HD1 TYR 54 1HD TYR 54 -8.271 -0.452 -2.145 386 HD2 TYR 54 2HD TYR 54 -8.428 -4.515 -3.358 387 HE1 TYR 54 1HE TYR 54 -10.712 -0.361 -2.084 388 HE2 TYR 54 2HE TYR 54 -10.887 -4.428 -3.312 389 HH TYR 54 HH TYR 54 -12.619 -1.585 -3.203 390 H VAL 55 H VAL 55 -4.705 0.017 -2.404 391 HA VAL 55 HA VAL 55 -2.257 -1.343 -3.057 392 HB VAL 55 HB VAL 55 -2.352 0.612 -4.571 393 HG11 VAL 55 1HG1 VAL 55 -2.531 2.278 -2.066 394 HG12 VAL 55 2HG1 VAL 55 -3.788 2.082 -3.279 395 HG13 VAL 55 3HG1 VAL 55 -2.281 2.901 -3.697 396 HG21 VAL 55 3HG2 VAL 55 -0.356 0.999 -2.355 397 HG22 VAL 55 1HG2 VAL 55 -0.184 1.570 -4.008 398 HG23 VAL 55 2HG2 VAL 55 -0.189 -0.170 -3.635 399 H GLY 56 H GLY 56 -0.907 -1.472 -1.394 400 HA2 GLY 56 2HA GLY 56 -1.896 -0.341 1.165 401 HA3 GLY 56 1HA GLY 56 -1.048 -1.894 0.956 402 H VAL 57 H VAL 57 -0.655 0.957 2.200 403 HA VAL 57 HA VAL 57 2.208 1.105 1.432 404 HB VAL 57 HB VAL 57 0.488 3.491 2.161 405 HG11 VAL 57 1HG1 VAL 57 2.355 4.847 1.326 406 HG12 VAL 57 2HG1 VAL 57 3.295 3.373 1.079 407 HG13 VAL 57 3HG1 VAL 57 2.794 3.841 2.704 408 HG21 VAL 57 3HG2 VAL 57 0.583 4.176 -0.199 409 HG22 VAL 57 1HG2 VAL 57 -0.262 2.642 0.011 410 HG23 VAL 57 2HG2 VAL 57 1.392 2.662 -0.598 411 H PHE 58 H PHE 58 3.221 0.286 3.286 412 HA PHE 58 HA PHE 58 2.978 1.868 5.596 413 HB2 PHE 58 2HB PHE 58 2.102 0.272 7.213 414 HB3 PHE 58 1HB PHE 58 0.923 0.573 5.958 415 HD1 PHE 58 2HD PHE 58 1.314 -1.267 3.893 416 HD2 PHE 58 1HD PHE 58 2.100 -1.822 8.034 417 HE1 PHE 58 2HE PHE 58 1.041 -3.685 3.618 418 HE2 PHE 58 1HE PHE 58 1.827 -4.245 7.768 419 HZ PHE 58 HZ PHE 58 1.292 -5.183 5.561 420 H ARG 59 H ARG 59 4.197 1.049 7.397 421 HA ARG 59 HA ARG 59 6.719 -0.059 6.527 422 HB2 ARG 59 2HB ARG 59 6.503 1.853 8.136 423 HB3 ARG 59 1HB ARG 59 5.700 0.769 9.257 424 HG2 ARG 59 2HG ARG 59 7.792 -0.617 9.243 425 HG3 ARG 59 1HG ARG 59 8.560 0.704 8.352 426 HD2 ARG 59 2HD ARG 59 9.017 0.995 10.696 427 HD3 ARG 59 1HD ARG 59 7.890 2.247 10.166 428 HE ARG 59 HE ARG 59 6.768 -0.167 11.304 429 HH11 ARG 59 1HH1 ARG 59 7.629 3.219 11.837 430 HH12 ARG 59 2HH1 ARG 59 6.659 3.429 13.204 431 HH21 ARG 59 1HH2 ARG 59 5.448 0.073 13.215 432 HH22 ARG 59 2HH2 ARG 59 5.336 1.550 14.038 433 H ASN 60 H ASN 60 6.644 -2.317 6.299 434 HA ASN 60 HA ASN 60 4.798 -3.647 7.989 435 HB2 ASN 60 2HB ASN 60 4.502 -3.880 5.525 436 HB3 ASN 60 1HB ASN 60 6.102 -4.622 5.452 437 HD21 ASN 60 1HD2 ASN 60 5.538 -6.655 4.927 438 HD22 ASN 60 2HD2 ASN 60 4.548 -7.662 5.944 439 H HIS 61 H HIS 61 5.389 -5.316 8.727 440 HA HIS 61 HA HIS 61 8.211 -5.792 9.399 441 HB2 HIS 61 2HB HIS 61 7.118 -6.882 11.543 442 HB3 HIS 61 1HB HIS 61 7.476 -5.152 11.503 443 HD1 HIS 61 1HD HIS 61 5.358 -3.576 11.390 444 HD2 HIS 61 2HD HIS 61 4.474 -7.623 11.750 445 HE1 HIS 61 1HE HIS 61 2.910 -3.706 12.008 446 H ASP 62 H ASP 62 5.169 -7.606 9.641 447 HA ASP 62 HA ASP 62 6.660 -10.010 9.001 448 HB2 ASP 62 2HB ASP 62 5.080 -10.136 10.847 449 HB3 ASP 62 1HB ASP 62 3.763 -9.695 9.768 450 H ILE 63 H ILE 63 6.865 -10.740 7.132 451 HA ILE 63 HA ILE 63 5.578 -9.687 4.826 452 HB ILE 63 HB ILE 63 7.859 -10.501 4.667 453 HG12 ILE 63 2HG1 ILE 63 6.157 -12.407 3.063 454 HG13 ILE 63 1HG1 ILE 63 6.255 -10.688 2.713 455 HG21 ILE 63 1HG2 ILE 63 8.420 -12.889 4.821 456 HG22 ILE 63 2HG2 ILE 63 6.764 -13.222 5.344 457 HG23 ILE 63 3HG2 ILE 63 7.818 -12.235 6.350 458 HD11 ILE 63 3HD1 ILE 63 8.676 -10.934 2.330 459 HD12 ILE 63 1HD1 ILE 63 7.760 -12.013 1.290 460 HD13 ILE 63 2HD1 ILE 63 8.561 -12.644 2.724 461 H ALA 64 H ALA 64 4.936 -12.431 6.874 462 HA ALA 64 HA ALA 64 3.263 -13.776 4.992 463 HB1 ALA 64 1HB ALA 64 4.398 -14.969 6.779 464 HB2 ALA 64 2HB ALA 64 2.648 -15.176 6.907 465 HB3 ALA 64 3HB ALA 64 3.490 -14.060 7.981 466 H ASP 65 H ASP 65 2.909 -11.105 7.000 467 HA ASP 65 HA ASP 65 0.042 -11.398 7.371 468 HB2 ASP 65 2HB ASP 65 1.475 -10.345 9.133 469 HB3 ASP 65 1HB ASP 65 1.804 -9.025 8.020 470 H VAL 66 H VAL 66 2.286 -9.234 5.705 471 HA VAL 66 HA VAL 66 0.294 -7.663 4.481 472 HB VAL 66 HB VAL 66 2.672 -6.928 4.732 473 HG11 VAL 66 1HG1 VAL 66 3.231 -8.757 2.419 474 HG12 VAL 66 2HG1 VAL 66 3.797 -8.942 4.079 475 HG13 VAL 66 3HG1 VAL 66 4.344 -7.571 3.114 476 HG21 VAL 66 3HG2 VAL 66 1.169 -5.741 3.237 477 HG22 VAL 66 1HG2 VAL 66 1.637 -6.804 1.909 478 HG23 VAL 66 2HG2 VAL 66 2.828 -5.719 2.645 479 H VAL 67 H VAL 67 1.893 -10.598 3.490 480 HA VAL 67 HA VAL 67 0.929 -10.552 0.823 481 HB VAL 67 HB VAL 67 2.013 -12.839 2.505 482 HG11 VAL 67 1HG1 VAL 67 2.178 -14.140 0.421 483 HG12 VAL 67 2HG1 VAL 67 1.350 -12.852 -0.452 484 HG13 VAL 67 3HG1 VAL 67 0.495 -13.765 0.790 485 HG21 VAL 67 3HG2 VAL 67 3.964 -12.589 1.060 486 HG22 VAL 67 1HG2 VAL 67 3.604 -11.095 1.924 487 HG23 VAL 67 2HG2 VAL 67 3.175 -11.256 0.220 488 H ASP 68 H ASP 68 -0.366 -11.625 3.843 489 HA ASP 68 HA ASP 68 -2.472 -13.150 2.688 490 HB2 ASP 68 2HB ASP 68 -1.634 -13.463 5.040 491 HB3 ASP 68 1HB ASP 68 -2.411 -11.935 5.449 492 H LYS 69 H LYS 69 -2.134 -9.843 3.801 493 HA LYS 69 HA LYS 69 -4.866 -8.978 3.311 494 HB2 LYS 69 2HB LYS 69 -2.341 -7.298 3.059 495 HB3 LYS 69 1HB LYS 69 -3.966 -6.733 3.387 496 HG2 LYS 69 2HG LYS 69 -2.269 -8.363 5.279 497 HG3 LYS 69 1HG LYS 69 -2.540 -6.615 5.352 498 HD2 LYS 69 2HD LYS 69 -4.899 -6.970 5.689 499 HD3 LYS 69 1HD LYS 69 -4.672 -8.713 5.509 500 HE2 LYS 69 2HE LYS 69 -3.459 -7.021 7.695 501 HE3 LYS 69 1HE LYS 69 -4.930 -7.965 7.880 502 HZ1 LYS 69 3HZ LYS 69 -3.500 -9.963 7.257 503 HZ2 LYS 69 1HZ LYS 69 -3.190 -9.249 8.756 504 HZ3 LYS 69 2HZ LYS 69 -2.161 -8.911 7.518 505 H ALA 70 H ALA 70 -1.935 -8.909 1.373 506 HA ALA 70 HA ALA 70 -3.040 -7.809 -0.956 507 HB1 ALA 70 1HB ALA 70 -0.709 -9.711 -0.759 508 HB2 ALA 70 2HB ALA 70 -0.630 -7.997 -0.380 509 HB3 ALA 70 3HB ALA 70 -1.022 -8.506 -2.017 510 H LYS 71 H LYS 71 -3.147 -10.946 0.354 511 HA LYS 71 HA LYS 71 -4.012 -12.361 -1.986 512 HB2 LYS 71 2HB LYS 71 -2.842 -13.472 -0.198 513 HB3 LYS 71 1HB LYS 71 -4.048 -12.955 0.965 514 HG2 LYS 71 2HG LYS 71 -5.681 -14.280 -0.466 515 HG3 LYS 71 1HG LYS 71 -4.247 -15.060 -1.146 516 HD2 LYS 71 2HD LYS 71 -5.047 -14.978 1.786 517 HD3 LYS 71 1HD LYS 71 -5.041 -16.394 0.743 518 HE2 LYS 71 2HE LYS 71 -2.637 -16.336 0.589 519 HE3 LYS 71 1HE LYS 71 -2.562 -14.808 1.453 520 HZ1 LYS 71 3HZ LYS 71 -3.422 -15.909 3.415 521 HZ2 LYS 71 1HZ LYS 71 -2.019 -16.685 2.877 522 HZ3 LYS 71 2HZ LYS 71 -3.529 -17.380 2.583 523 H VAL 72 H VAL 72 -5.528 -11.451 1.105 524 HA VAL 72 HA VAL 72 -8.108 -12.318 0.492 525 HB VAL 72 HB VAL 72 -7.292 -10.227 2.534 526 HG11 VAL 72 1HG1 VAL 72 -9.371 -10.777 3.665 527 HG12 VAL 72 2HG1 VAL 72 -9.826 -11.851 2.335 528 HG13 VAL 72 3HG1 VAL 72 -9.666 -10.111 2.061 529 HG21 VAL 72 3HG2 VAL 72 -6.174 -12.332 2.915 530 HG22 VAL 72 1HG2 VAL 72 -7.706 -13.204 2.815 531 HG23 VAL 72 2HG2 VAL 72 -7.413 -12.075 4.141 532 H LEU 73 H LEU 73 -7.047 -8.878 0.679 533 HA LEU 73 HA LEU 73 -9.461 -8.114 -0.712 534 HB2 LEU 73 2HB LEU 73 -7.026 -6.371 -0.337 535 HB3 LEU 73 1HB LEU 73 -8.614 -5.840 -0.824 536 HG LEU 73 HG LEU 73 -8.504 -5.154 1.326 537 HD11 LEU 73 1HD1 LEU 73 -10.532 -6.342 1.055 538 HD12 LEU 73 2HD1 LEU 73 -9.947 -6.588 2.702 539 HD13 LEU 73 3HD1 LEU 73 -9.757 -7.859 1.486 540 HD21 LEU 73 3HD2 LEU 73 -6.366 -6.172 1.868 541 HD22 LEU 73 1HD2 LEU 73 -7.154 -7.729 2.103 542 HD23 LEU 73 2HD2 LEU 73 -7.518 -6.380 3.181 543 H SER 74 H SER 74 -6.681 -9.528 -1.783 544 HA SER 74 HA SER 74 -5.394 -9.520 -3.548 545 HB2 SER 74 2HB SER 74 -6.659 -9.530 -5.799 546 HB3 SER 74 1HB SER 74 -7.137 -10.727 -4.601 547 HG SER 74 HG SER 74 -8.499 -8.474 -4.236 548 H LEU 75 H LEU 75 -4.271 -7.674 -2.818 549 HA LEU 75 HA LEU 75 -4.754 -5.097 -3.655 550 HB2 LEU 75 2HB LEU 75 -2.428 -6.621 -2.646 551 HB3 LEU 75 1HB LEU 75 -2.265 -4.946 -3.137 552 HG LEU 75 HG LEU 75 -2.633 -5.819 -0.754 553 HD11 LEU 75 1HD1 LEU 75 -2.230 -3.482 -1.306 554 HD12 LEU 75 2HD1 LEU 75 -3.577 -3.522 -0.160 555 HD13 LEU 75 3HD1 LEU 75 -3.883 -3.306 -1.888 556 HD21 LEU 75 3HD2 LEU 75 -4.900 -5.447 0.117 557 HD22 LEU 75 1HD2 LEU 75 -4.768 -6.802 -1.007 558 HD23 LEU 75 2HD2 LEU 75 -5.475 -5.276 -1.554 559 H ALA 76 H ALA 76 -2.947 -3.968 -4.930 560 HA ALA 76 HA ALA 76 -2.184 -5.597 -7.237 561 HB1 ALA 76 1HB ALA 76 -3.125 -2.753 -7.382 562 HB2 ALA 76 2HB ALA 76 -4.078 -4.169 -7.831 563 HB3 ALA 76 3HB ALA 76 -2.621 -3.761 -8.739 564 H ALA 77 H ALA 77 -1.469 -2.710 -5.271 565 HA ALA 77 HA ALA 77 1.287 -3.548 -5.605 566 HB1 ALA 77 1HB ALA 77 0.401 -0.670 -5.616 567 HB2 ALA 77 2HB ALA 77 0.895 -1.587 -7.035 568 HB3 ALA 77 3HB ALA 77 2.054 -1.264 -5.766 569 H VAL 78 H VAL 78 2.638 -2.969 -3.863 570 HA VAL 78 HA VAL 78 1.331 -1.979 -1.477 571 HB VAL 78 HB VAL 78 1.305 -4.420 -1.248 572 HG11 VAL 78 1HG1 VAL 78 3.019 -5.097 -2.762 573 HG12 VAL 78 2HG1 VAL 78 3.537 -5.670 -1.163 574 HG13 VAL 78 3HG1 VAL 78 4.229 -4.198 -1.874 575 HG21 VAL 78 3HG2 VAL 78 2.615 -4.680 0.822 576 HG22 VAL 78 1HG2 VAL 78 1.725 -3.154 0.788 577 HG23 VAL 78 2HG2 VAL 78 3.456 -3.171 0.458 578 H GLN 79 H GLN 79 2.723 -0.570 -0.351 579 HA GLN 79 HA GLN 79 5.290 -0.164 -1.549 580 HB2 GLN 79 2HB GLN 79 3.309 1.525 -0.186 581 HB3 GLN 79 1HB GLN 79 5.002 1.947 -0.044 582 HG2 GLN 79 2HG GLN 79 4.130 3.164 -1.840 583 HG3 GLN 79 1HG GLN 79 5.088 1.868 -2.545 584 HE21 GLN 79 1HE2 GLN 79 3.926 0.032 -3.459 585 HE22 GLN 79 2HE2 GLN 79 2.316 0.293 -4.024 586 H LEU 80 H LEU 80 6.859 -0.912 -0.557 587 HA LEU 80 HA LEU 80 6.642 -1.401 2.316 588 HB2 LEU 80 2HB LEU 80 8.650 -2.398 0.312 589 HB3 LEU 80 1HB LEU 80 8.878 -2.577 2.031 590 HG LEU 80 HG LEU 80 8.125 -4.617 1.215 591 HD11 LEU 80 1HD1 LEU 80 6.036 -5.016 2.399 592 HD12 LEU 80 2HD1 LEU 80 5.764 -3.282 2.506 593 HD13 LEU 80 3HD1 LEU 80 7.148 -4.011 3.329 594 HD21 LEU 80 3HD2 LEU 80 7.202 -3.997 -0.922 595 HD22 LEU 80 1HD2 LEU 80 5.846 -3.178 -0.140 596 HD23 LEU 80 2HD2 LEU 80 6.002 -4.930 -0.025 597 H HIS 81 H HIS 81 7.511 -0.160 3.730 598 HA HIS 81 HA HIS 81 9.430 1.839 2.926 599 HB2 HIS 81 2HB HIS 81 8.228 1.182 5.644 600 HB3 HIS 81 1HB HIS 81 9.425 2.446 5.398 601 HD1 HIS 81 1HD HIS 81 5.823 1.621 4.539 602 HD2 HIS 81 2HD HIS 81 8.462 4.826 4.414 603 HE1 HIS 81 1HE HIS 81 4.440 3.645 4.002 604 H GLY 82 H GLY 82 11.165 0.946 2.356 605 HA2 GLY 82 2HA GLY 82 12.132 -1.523 3.155 606 HA3 GLY 82 1HA GLY 82 13.020 -0.343 2.215 607 H ASN 83 H ASN 83 12.548 1.363 4.848 608 HA ASN 83 HA ASN 83 15.151 1.198 5.790 609 HB2 ASN 83 2HB ASN 83 13.636 3.131 6.177 610 HB3 ASN 83 1HB ASN 83 12.772 2.185 7.384 611 HD21 ASN 83 1HD2 ASN 83 15.708 3.877 6.628 612 HD22 ASN 83 2HD2 ASN 83 16.322 3.937 8.245 613 H GLU 84 H GLU 84 12.449 -0.786 6.694 614 HA GLU 84 HA GLU 84 13.258 -1.754 9.175 615 HB2 GLU 84 2HB GLU 84 11.674 -3.095 6.987 616 HB3 GLU 84 1HB GLU 84 11.907 -3.810 8.574 617 HG2 GLU 84 2HG GLU 84 10.624 -1.116 8.101 618 HG3 GLU 84 1HG GLU 84 9.732 -2.623 8.284 619 H GLU 85 H GLU 85 14.165 -2.955 5.966 620 HA GLU 85 HA GLU 85 16.697 -3.940 6.688 621 HB2 GLU 85 2HB GLU 85 15.420 -5.635 7.907 622 HB3 GLU 85 1HB GLU 85 14.572 -6.053 6.429 623 HG2 GLU 85 2HG GLU 85 16.407 -7.545 7.034 624 HG3 GLU 85 1HG GLU 85 16.591 -6.822 5.415 625 H GLN 86 H GLN 86 17.849 -4.346 4.897 626 HA GLN 86 HA GLN 86 16.937 -3.147 2.498 627 HB2 GLN 86 2HB GLN 86 19.345 -4.841 3.084 628 HB3 GLN 86 1HB GLN 86 19.157 -3.696 1.775 629 HG2 GLN 86 2HG GLN 86 19.092 -1.856 3.393 630 HG3 GLN 86 1HG GLN 86 19.213 -3.010 4.716 631 HE21 GLN 86 1HE2 GLN 86 21.216 -4.084 5.068 632 HE22 GLN 86 2HE2 GLN 86 22.671 -3.464 4.398 633 H LEU 87 H LEU 87 17.666 -6.268 3.506 634 HA LEU 87 HA LEU 87 17.392 -7.628 0.993 635 HB2 LEU 87 2HB LEU 87 17.509 -8.752 3.743 636 HB3 LEU 87 1HB LEU 87 17.757 -9.592 2.218 637 HG LEU 87 HG LEU 87 19.469 -7.283 2.969 638 HD11 LEU 87 1HD1 LEU 87 21.117 -8.940 3.879 639 HD12 LEU 87 2HD1 LEU 87 19.852 -10.178 3.780 640 HD13 LEU 87 3HD1 LEU 87 19.651 -8.778 4.840 641 HD21 LEU 87 3HD2 LEU 87 19.899 -9.689 1.207 642 HD22 LEU 87 1HD2 LEU 87 21.101 -8.434 1.527 643 HD23 LEU 87 2HD2 LEU 87 19.605 -8.022 0.699 644 H TYR 88 H TYR 88 15.428 -6.766 3.615 645 HA TYR 88 HA TYR 88 13.546 -8.843 3.559 646 HB2 TYR 88 2HB TYR 88 13.694 -7.565 5.520 647 HB3 TYR 88 1HB TYR 88 13.492 -6.043 4.646 648 HD1 TYR 88 1HD TYR 88 11.647 -9.258 5.069 649 HD2 TYR 88 2HD TYR 88 11.509 -5.016 4.993 650 HE1 TYR 88 1HE TYR 88 9.247 -9.343 5.549 651 HE2 TYR 88 2HE TYR 88 9.089 -5.085 5.485 652 HH TYR 88 HH TYR 88 7.629 -7.774 6.643 653 H ILE 89 H ILE 89 13.850 -5.828 1.847 654 HA ILE 89 HA ILE 89 11.251 -5.791 0.705 655 HB ILE 89 HB ILE 89 13.868 -4.726 -0.299 656 HG12 ILE 89 2HG1 ILE 89 12.540 -2.466 0.231 657 HG13 ILE 89 1HG1 ILE 89 11.776 -3.540 1.400 658 HG21 ILE 89 1HG2 ILE 89 12.301 -4.997 -2.183 659 HG22 ILE 89 2HG2 ILE 89 12.546 -3.276 -1.863 660 HG23 ILE 89 3HG2 ILE 89 11.068 -4.083 -1.314 661 HD11 ILE 89 3HD1 ILE 89 13.712 -2.351 2.297 662 HD12 ILE 89 1HD1 ILE 89 14.700 -3.124 1.072 663 HD13 ILE 89 2HD1 ILE 89 13.917 -4.102 2.317 664 H ASP 90 H ASP 90 14.322 -7.117 -0.217 665 HA ASP 90 HA ASP 90 13.618 -8.128 -2.753 666 HB2 ASP 90 2HB ASP 90 15.898 -7.804 -1.804 667 HB3 ASP 90 1HB ASP 90 15.630 -9.218 -0.822 668 H THR 91 H THR 91 12.857 -9.118 0.345 669 HA THR 91 HA THR 91 12.463 -11.946 -0.149 670 HB THR 91 HB THR 91 11.845 -10.181 2.220 671 HG1 THR 91 1HG THR 91 14.110 -10.524 1.548 672 HG21 THR 91 3HG2 THR 91 11.631 -12.254 3.485 673 HG22 THR 91 1HG2 THR 91 11.904 -13.189 1.987 674 HG23 THR 91 2HG2 THR 91 10.501 -12.114 2.126 675 H LEU 92 H LEU 92 10.485 -9.104 0.621 676 HA LEU 92 HA LEU 92 8.013 -10.010 0.459 677 HB2 LEU 92 2HB LEU 92 9.095 -7.459 -0.614 678 HB3 LEU 92 1HB LEU 92 7.420 -7.844 -0.937 679 HG LEU 92 HG LEU 92 7.450 -6.403 0.925 680 HD11 LEU 92 1HD1 LEU 92 5.910 -8.281 1.101 681 HD12 LEU 92 2HD1 LEU 92 6.483 -7.675 2.669 682 HD13 LEU 92 3HD1 LEU 92 7.187 -9.141 1.986 683 HD21 LEU 92 3HD2 LEU 92 9.396 -8.273 2.147 684 HD22 LEU 92 1HD2 LEU 92 8.688 -6.878 2.964 685 HD23 LEU 92 2HD2 LEU 92 9.748 -6.634 1.571 686 H ARG 93 H ARG 93 9.955 -9.244 -2.397 687 HA ARG 93 HA ARG 93 8.104 -9.796 -4.456 688 HB2 ARG 93 2HB ARG 93 11.068 -10.343 -4.577 689 HB3 ARG 93 1HB ARG 93 9.999 -10.522 -5.946 690 HG2 ARG 93 2HG ARG 93 11.011 -8.488 -6.271 691 HG3 ARG 93 1HG ARG 93 9.451 -8.047 -5.571 692 HD2 ARG 93 2HD ARG 93 10.521 -7.868 -3.384 693 HD3 ARG 93 1HD ARG 93 12.070 -8.281 -4.114 694 HE ARG 93 HE ARG 93 10.509 -5.895 -4.761 695 HH11 ARG 93 1HH1 ARG 93 13.654 -7.515 -4.457 696 HH12 ARG 93 2HH1 ARG 93 14.547 -6.069 -4.458 697 HH21 ARG 93 1HH2 ARG 93 11.785 -3.904 -4.805 698 HH22 ARG 93 2HH2 ARG 93 13.487 -4.035 -4.718 699 H GLU 94 H GLU 94 9.594 -12.114 -2.395 700 HA GLU 94 HA GLU 94 9.337 -14.267 -4.295 701 HB2 GLU 94 2HB GLU 94 10.030 -14.343 -1.380 702 HB3 GLU 94 1HB GLU 94 10.306 -15.615 -2.571 703 HG2 GLU 94 2HG GLU 94 11.776 -14.081 -3.809 704 HG3 GLU 94 1HG GLU 94 11.536 -12.895 -2.527 705 H ALA 95 H ALA 95 7.749 -13.157 -1.411 706 HA ALA 95 HA ALA 95 5.819 -15.336 -1.540 707 HB1 ALA 95 1HB ALA 95 4.930 -14.433 0.542 708 HB2 ALA 95 2HB ALA 95 5.985 -13.028 0.394 709 HB3 ALA 95 3HB ALA 95 6.680 -14.627 0.650 710 H LEU 96 H LEU 96 6.227 -12.543 -3.031 711 HA LEU 96 HA LEU 96 3.647 -11.262 -3.021 712 HB2 LEU 96 2HB LEU 96 5.880 -10.217 -3.486 713 HB3 LEU 96 1HB LEU 96 5.904 -11.094 -4.997 714 HG LEU 96 HG LEU 96 3.757 -9.871 -5.571 715 HD11 LEU 96 1HD1 LEU 96 4.646 -8.196 -3.238 716 HD12 LEU 96 2HD1 LEU 96 3.155 -9.133 -3.354 717 HD13 LEU 96 3HD1 LEU 96 3.415 -7.748 -4.414 718 HD21 LEU 96 3HD2 LEU 96 6.323 -8.319 -5.229 719 HD22 LEU 96 1HD2 LEU 96 4.982 -7.862 -6.283 720 HD23 LEU 96 2HD2 LEU 96 5.887 -9.339 -6.599 721 HA PRO 97 HA PRO 97 2.084 -14.087 -6.204 722 HB2 PRO 97 2HB PRO 97 -0.439 -13.122 -6.253 723 HB3 PRO 97 1HB PRO 97 0.083 -14.267 -5.017 724 HG2 PRO 97 2HG PRO 97 -0.210 -11.312 -4.875 725 HG3 PRO 97 1HG PRO 97 -0.631 -12.525 -3.647 726 HD2 PRO 97 2HD PRO 97 1.637 -11.013 -3.543 727 HD3 PRO 97 1HD PRO 97 1.544 -12.653 -2.870 728 H ALA 98 H ALA 98 1.099 -13.625 -8.326 729 HA ALA 98 HA ALA 98 2.532 -11.503 -9.563 730 HB1 ALA 98 1HB ALA 98 0.457 -13.292 -10.809 731 HB2 ALA 98 2HB ALA 98 2.171 -13.674 -10.643 732 HB3 ALA 98 3HB ALA 98 1.659 -12.326 -11.661 733 H HIS 99 H HIS 99 -0.392 -11.412 -8.062 734 HA HIS 99 HA HIS 99 -1.784 -9.585 -9.832 735 HB2 HIS 99 2HB HIS 99 -2.316 -10.215 -6.919 736 HB3 HIS 99 1HB HIS 99 -3.425 -9.405 -8.022 737 HD1 HIS 99 1HD HIS 99 -3.211 -12.502 -6.420 738 HD2 HIS 99 2HD HIS 99 -3.548 -11.275 -10.329 739 HE1 HIS 99 1HE HIS 99 -4.122 -14.470 -7.609 740 H VAL 100 H VAL 100 0.432 -9.429 -7.123 741 HA VAL 100 HA VAL 100 -0.215 -6.692 -6.630 742 HB VAL 100 HB VAL 100 1.336 -8.698 -5.006 743 HG11 VAL 100 1HG1 VAL 100 0.900 -7.171 -3.196 744 HG12 VAL 100 2HG1 VAL 100 0.016 -6.125 -4.344 745 HG13 VAL 100 3HG1 VAL 100 1.755 -6.411 -4.560 746 HG21 VAL 100 3HG2 VAL 100 -0.606 -9.150 -3.748 747 HG22 VAL 100 1HG2 VAL 100 -1.007 -9.401 -5.435 748 HG23 VAL 100 2HG2 VAL 100 -1.552 -7.929 -4.614 749 H ALA 101 H ALA 101 1.385 -5.253 -6.632 750 HA ALA 101 HA ALA 101 4.040 -6.000 -7.644 751 HB1 ALA 101 1HB ALA 101 2.739 -4.667 -9.247 752 HB2 ALA 101 2HB ALA 101 4.110 -3.755 -8.626 753 HB3 ALA 101 3HB ALA 101 2.488 -3.435 -8.012 754 H ILE 102 H ILE 102 5.654 -4.266 -6.946 755 HA ILE 102 HA ILE 102 5.111 -3.458 -4.187 756 HB ILE 102 HB ILE 102 7.662 -4.596 -5.336 757 HG12 ILE 102 2HG1 ILE 102 6.030 -5.513 -2.948 758 HG13 ILE 102 1HG1 ILE 102 6.013 -6.280 -4.532 759 HG21 ILE 102 1HG2 ILE 102 8.337 -2.784 -4.134 760 HG22 ILE 102 2HG2 ILE 102 8.591 -4.122 -2.972 761 HG23 ILE 102 3HG2 ILE 102 7.172 -3.034 -2.860 762 HD11 ILE 102 3HD1 ILE 102 8.418 -6.794 -4.269 763 HD12 ILE 102 1HD1 ILE 102 7.461 -7.542 -3.002 764 HD13 ILE 102 2HD1 ILE 102 8.382 -6.092 -2.667 765 H TRP 103 H TRP 103 5.508 -1.371 -3.838 766 HA TRP 103 HA TRP 103 7.285 -0.009 -5.761 767 HB2 TRP 103 2HB TRP 103 4.881 1.254 -4.409 768 HB3 TRP 103 1HB TRP 103 5.954 2.017 -5.554 769 HD1 TRP 103 HD TRP 103 5.438 -0.902 -7.435 770 HE1 TRP 103 1HE TRP 103 3.339 -0.844 -8.890 771 HE3 TRP 103 3HE TRP 103 3.085 2.869 -5.138 772 HZ2 TRP 103 2HZ TRP 103 0.913 0.650 -9.008 773 HZ3 TRP 103 3HZ TRP 103 0.842 3.631 -5.980 774 HH2 TRP 103 HH TRP 103 -0.167 2.541 -7.875 775 H LYS 104 H LYS 104 8.232 1.923 -4.554 776 HA LYS 104 HA LYS 104 8.129 1.341 -1.728 777 HB2 LYS 104 2HB LYS 104 10.502 1.526 -1.433 778 HB3 LYS 104 1HB LYS 104 10.235 0.425 -2.770 779 HG2 LYS 104 2HG LYS 104 11.932 1.625 -3.657 780 HG3 LYS 104 1HG LYS 104 10.603 2.675 -4.160 781 HD2 LYS 104 2HD LYS 104 10.961 4.050 -2.136 782 HD3 LYS 104 1HD LYS 104 12.314 3.016 -1.688 783 HE2 LYS 104 2HE LYS 104 13.374 3.593 -3.862 784 HE3 LYS 104 1HE LYS 104 12.064 4.746 -4.123 785 HZ1 LYS 104 3HZ LYS 104 12.857 5.730 -1.864 786 HZ2 LYS 104 1HZ LYS 104 13.900 5.940 -3.208 787 HZ3 LYS 104 2HZ LYS 104 14.173 4.740 -2.114 788 H ALA 105 H ALA 105 7.835 2.975 -0.512 789 HA ALA 105 HA ALA 105 6.937 5.382 -1.687 790 HB1 ALA 105 1HB ALA 105 5.961 4.522 0.389 791 HB2 ALA 105 2HB ALA 105 6.617 6.144 0.628 792 HB3 ALA 105 3HB ALA 105 7.507 4.737 1.210 793 H LEU 106 H LEU 106 8.337 6.661 -2.634 794 HA LEU 106 HA LEU 106 11.023 6.962 -1.685 795 HB2 LEU 106 2HB LEU 106 9.770 7.284 -4.108 796 HB3 LEU 106 1HB LEU 106 9.819 8.934 -3.549 797 HG LEU 106 HG LEU 106 12.162 7.127 -4.095 798 HD11 LEU 106 1HD1 LEU 106 12.702 8.745 -5.824 799 HD12 LEU 106 2HD1 LEU 106 11.255 9.664 -5.419 800 HD13 LEU 106 3HD1 LEU 106 11.105 8.037 -6.079 801 HD21 LEU 106 3HD2 LEU 106 12.167 9.950 -3.054 802 HD22 LEU 106 1HD2 LEU 106 13.575 9.030 -3.600 803 HD23 LEU 106 2HD2 LEU 106 12.675 8.499 -2.173 804 H SER 107 H SER 107 10.775 7.721 0.353 805 HA SER 107 HA SER 107 9.056 9.892 0.931 806 HB2 SER 107 2HB SER 107 9.525 8.024 2.529 807 HB3 SER 107 1HB SER 107 11.164 8.646 2.703 808 HG SER 107 HG SER 107 8.936 10.312 3.077 809 H VAL 108 H VAL 108 9.705 11.850 1.785 810 HA VAL 108 HA VAL 108 11.698 13.169 0.320 811 HB VAL 108 HB VAL 108 11.277 15.114 1.807 812 HG11 VAL 108 1HG1 VAL 108 8.951 15.448 1.135 813 HG12 VAL 108 2HG1 VAL 108 8.799 13.723 0.816 814 HG13 VAL 108 3HG1 VAL 108 9.887 14.705 -0.166 815 HG21 VAL 108 3HG2 VAL 108 9.395 13.219 3.232 816 HG22 VAL 108 1HG2 VAL 108 9.497 14.958 3.512 817 HG23 VAL 108 2HG2 VAL 108 10.866 13.920 3.905 818 H GLY 109 H GLY 109 13.515 14.327 1.114 819 HA2 GLY 109 2HA GLY 109 14.767 13.998 3.548 820 HA3 GLY 109 1HA GLY 109 15.352 12.727 2.468 821 H GLU 110 H GLU 110 17.281 14.244 3.023 822 HA GLU 110 HA GLU 110 17.376 16.622 1.423 823 HB2 GLU 110 2HB GLU 110 19.499 15.150 2.971 824 HB3 GLU 110 1HB GLU 110 19.804 16.636 2.084 825 HG2 GLU 110 2HG GLU 110 17.793 16.355 4.304 826 HG3 GLU 110 1HG GLU 110 19.437 16.959 4.504 827 H THR 111 H THR 111 19.118 13.543 1.328 828 HA THR 111 HA THR 111 19.556 13.993 -1.509 829 HB THR 111 HB THR 111 21.332 12.147 -1.063 830 HG1 THR 111 1HG THR 111 22.099 12.224 1.099 831 HG21 THR 111 3HG2 THR 111 21.680 14.933 0.069 832 HG22 THR 111 1HG2 THR 111 21.868 14.482 -1.627 833 HG23 THR 111 2HG2 THR 111 22.983 13.846 -0.417 834 H LEU 112 H LEU 112 18.372 12.753 -2.826 835 HA LEU 112 HA LEU 112 17.200 10.317 -1.747 836 HB2 LEU 112 2HB LEU 112 16.554 11.849 -4.266 837 HB3 LEU 112 1HB LEU 112 15.716 10.413 -3.711 838 HG LEU 112 HG LEU 112 15.769 13.088 -2.322 839 HD11 LEU 112 1HD1 LEU 112 13.548 11.623 -3.725 840 HD12 LEU 112 2HD1 LEU 112 14.360 13.085 -4.288 841 HD13 LEU 112 3HD1 LEU 112 13.375 13.128 -2.824 842 HD21 LEU 112 3HD2 LEU 112 15.747 11.255 -0.705 843 HD22 LEU 112 1HD2 LEU 112 14.378 10.526 -1.537 844 HD23 LEU 112 2HD2 LEU 112 14.188 12.084 -0.728 845 HA PRO 113 HA PRO 113 20.678 8.492 -3.894 846 HB2 PRO 113 2HB PRO 113 19.664 5.969 -2.773 847 HB3 PRO 113 1HB PRO 113 21.217 6.759 -2.512 848 HG2 PRO 113 2HG PRO 113 19.342 6.657 -0.589 849 HG3 PRO 113 1HG PRO 113 20.431 8.042 -0.771 850 HD2 PRO 113 2HD PRO 113 17.566 7.768 -1.622 851 HD3 PRO 113 1HD PRO 113 18.398 9.142 -0.870 852 H ALA 114 H ALA 114 20.964 7.258 -5.668 853 HA ALA 114 HA ALA 114 18.725 6.846 -7.380 854 HB1 ALA 114 1HB ALA 114 20.385 6.023 -8.984 855 HB2 ALA 114 2HB ALA 114 21.605 5.994 -7.712 856 HB3 ALA 114 3HB ALA 114 20.926 7.530 -8.244 857 H ARG 115 H ARG 115 20.977 4.737 -5.645 858 HA ARG 115 HA ARG 115 18.993 2.628 -5.960 859 HB2 ARG 115 2HB ARG 115 21.971 2.322 -6.072 860 HB3 ARG 115 1HB ARG 115 20.840 1.002 -5.782 861 HG2 ARG 115 2HG ARG 115 19.824 1.394 -7.948 862 HG3 ARG 115 1HG ARG 115 20.934 2.738 -8.235 863 HD2 ARG 115 2HD ARG 115 22.822 1.265 -8.193 864 HD3 ARG 115 1HD ARG 115 21.809 -0.092 -7.700 865 HE ARG 115 HE ARG 115 20.731 0.818 -10.021 866 HH11 ARG 115 1HH1 ARG 115 23.906 -0.441 -9.074 867 HH12 ARG 115 2HH1 ARG 115 24.189 -1.212 -10.555 868 HH21 ARG 115 1HH2 ARG 115 21.127 -0.240 -12.053 869 HH22 ARG 115 2HH2 ARG 115 22.564 -1.118 -12.304 870 H GLU 116 H GLU 116 18.190 2.088 -4.232 871 HA GLU 116 HA GLU 116 19.787 1.447 -2.003 872 HB2 GLU 116 2HB GLU 116 17.944 2.685 -0.502 873 HB3 GLU 116 1HB GLU 116 19.449 3.437 -0.993 874 HG2 GLU 116 2HG GLU 116 17.772 5.066 -1.273 875 HG3 GLU 116 1HG GLU 116 18.160 4.489 -2.886 876 H PHE 117 H PHE 117 16.433 1.825 -2.883 877 HA PHE 117 HA PHE 117 16.232 -1.059 -2.455 878 HB2 PHE 117 2HB PHE 117 13.985 0.953 -2.072 879 HB3 PHE 117 1HB PHE 117 13.898 -0.786 -1.767 880 HD1 PHE 117 1HD PHE 117 15.723 -1.703 -0.061 881 HD2 PHE 117 2HD PHE 117 14.407 2.349 -0.301 882 HE1 PHE 117 1HE PHE 117 16.569 -1.270 2.216 883 HE2 PHE 117 2HE PHE 117 15.238 2.756 1.970 884 HZ PHE 117 HZ PHE 117 16.324 0.946 3.224 885 H GLN 118 H GLN 118 16.574 -1.709 -4.371 886 HA GLN 118 HA GLN 118 15.130 -0.476 -6.614 887 HB2 GLN 118 2HB GLN 118 16.897 -1.110 -8.095 888 HB3 GLN 118 1HB GLN 118 17.630 -0.323 -6.719 889 HG2 GLN 118 2HG GLN 118 17.473 -3.271 -7.150 890 HG3 GLN 118 1HG GLN 118 18.886 -2.291 -7.553 891 HE21 GLN 118 1HE2 GLN 118 17.108 -3.918 -5.092 892 HE22 GLN 118 2HE2 GLN 118 18.205 -3.633 -3.801 893 H HIS 119 H HIS 119 15.022 -2.222 -8.503 894 HA HIS 119 HA HIS 119 13.999 -4.034 -9.327 895 HB2 HIS 119 2HB HIS 119 15.645 -5.318 -7.814 896 HB3 HIS 119 1HB HIS 119 14.368 -5.403 -6.617 897 HD1 HIS 119 1HD HIS 119 15.722 -7.148 -9.561 898 HD2 HIS 119 2HD HIS 119 12.151 -7.099 -7.444 899 HE1 HIS 119 1HE HIS 119 14.474 -9.232 -10.237 900 H VAL 120 H VAL 120 12.718 -1.890 -8.024 901 HA VAL 120 HA VAL 120 10.286 -3.062 -6.895 902 HB VAL 120 HB VAL 120 9.551 -0.731 -6.481 903 HG11 VAL 120 1HG1 VAL 120 11.190 -0.180 -4.730 904 HG12 VAL 120 2HG1 VAL 120 12.309 -1.351 -5.428 905 HG13 VAL 120 3HG1 VAL 120 10.778 -1.895 -4.741 906 HG21 VAL 120 3HG2 VAL 120 11.121 1.140 -6.796 907 HG22 VAL 120 1HG2 VAL 120 10.703 0.380 -8.331 908 HG23 VAL 120 2HG2 VAL 120 12.261 0.046 -7.577 909 H ASP 121 H ASP 121 8.219 -2.479 -7.742 910 HA ASP 121 HA ASP 121 8.241 -2.834 -10.595 911 HB2 ASP 121 2HB ASP 121 6.530 -3.987 -9.312 912 HB3 ASP 121 1HB ASP 121 5.934 -2.466 -8.668 913 H LYS 122 H LYS 122 7.416 -0.244 -8.385 914 HA LYS 122 HA LYS 122 7.918 1.663 -10.430 915 HB2 LYS 122 2HB LYS 122 5.502 1.011 -10.864 916 HB3 LYS 122 1HB LYS 122 5.100 1.592 -9.263 917 HG2 LYS 122 2HG LYS 122 5.534 3.828 -9.839 918 HG3 LYS 122 1HG LYS 122 6.341 3.374 -11.346 919 HD2 LYS 122 2HD LYS 122 4.120 4.268 -11.752 920 HD3 LYS 122 1HD LYS 122 4.192 2.573 -12.215 921 HE2 LYS 122 2HE LYS 122 3.155 1.981 -10.072 922 HE3 LYS 122 1HE LYS 122 3.056 3.696 -9.670 923 HZ1 LYS 122 3HZ LYS 122 1.623 4.021 -11.569 924 HZ2 LYS 122 1HZ LYS 122 0.944 2.840 -10.587 925 HZ3 LYS 122 2HZ LYS 122 1.741 2.404 -12.001 926 H TYR 123 H TYR 123 7.823 3.801 -9.556 927 HA TYR 123 HA TYR 123 8.450 3.896 -6.709 928 HB2 TYR 123 2HB TYR 123 9.148 5.679 -9.029 929 HB3 TYR 123 1HB TYR 123 9.211 6.290 -7.386 930 HD1 TYR 123 1HD TYR 123 10.593 3.617 -9.601 931 HD2 TYR 123 2HD TYR 123 11.107 5.932 -6.050 932 HE1 TYR 123 1HE TYR 123 12.868 2.722 -9.327 933 HE2 TYR 123 2HE TYR 123 13.320 5.050 -5.783 934 HH TYR 123 HH TYR 123 14.620 3.065 -6.437 935 H VAL 124 H VAL 124 7.592 5.580 -5.454 936 HA VAL 124 HA VAL 124 5.474 7.213 -6.439 937 HB VAL 124 HB VAL 124 4.433 4.974 -6.009 938 HG11 VAL 124 1HG1 VAL 124 3.964 4.273 -3.702 939 HG12 VAL 124 2HG1 VAL 124 5.075 5.525 -3.136 940 HG13 VAL 124 3HG1 VAL 124 5.672 4.201 -4.135 941 HG21 VAL 124 3HG2 VAL 124 3.335 7.186 -4.280 942 HG22 VAL 124 1HG2 VAL 124 2.438 5.773 -4.837 943 HG23 VAL 124 2HG2 VAL 124 3.024 6.951 -6.005 944 H LEU 125 H LEU 125 4.682 8.420 -4.433 945 HA LEU 125 HA LEU 125 7.135 9.109 -2.946 946 HB2 LEU 125 2HB LEU 125 4.648 10.747 -3.465 947 HB3 LEU 125 1HB LEU 125 5.910 11.261 -2.381 948 HG LEU 125 HG LEU 125 6.189 12.468 -4.375 949 HD11 LEU 125 1HD1 LEU 125 8.218 10.264 -4.429 950 HD12 LEU 125 2HD1 LEU 125 8.260 11.719 -3.434 951 HD13 LEU 125 3HD1 LEU 125 8.376 11.851 -5.187 952 HD21 LEU 125 3HD2 LEU 125 4.839 11.138 -5.895 953 HD22 LEU 125 1HD2 LEU 125 6.072 9.874 -5.915 954 HD23 LEU 125 2HD2 LEU 125 6.421 11.456 -6.608 955 H ASP 126 H ASP 126 6.809 9.861 -0.654 956 HA ASP 126 HA ASP 126 5.253 7.922 0.674 957 HB2 ASP 126 2HB ASP 126 5.837 8.986 2.839 958 HB3 ASP 126 1HB ASP 126 7.261 8.782 1.842 959 H ASN 127 H ASN 127 3.188 8.008 1.219 960 HA ASN 127 HA ASN 127 1.719 10.383 0.432 961 HB2 ASN 127 2HB ASN 127 0.896 7.605 1.125 962 HB3 ASN 127 1HB ASN 127 -0.341 8.878 1.112 963 HD21 ASN 127 1HD2 ASN 127 2.432 8.370 -0.983 964 HD22 ASN 127 2HD2 ASN 127 1.553 8.132 -2.439 965 H GLY 128 H GLY 128 3.000 9.101 3.241 966 HA2 GLY 128 2HA GLY 128 2.601 11.065 4.937 967 HA3 GLY 128 1HA GLY 128 1.062 10.202 5.029 968 H GLN 129 H GLN 129 1.513 9.583 7.153 969 HA GLN 129 HA GLN 129 3.848 7.995 7.648 970 HB2 GLN 129 2HB GLN 129 1.486 8.639 9.415 971 HB3 GLN 129 1HB GLN 129 2.935 7.818 9.959 972 HG2 GLN 129 2HG GLN 129 2.726 10.643 8.944 973 HG3 GLN 129 1HG GLN 129 3.016 10.130 10.605 974 HE21 GLN 129 1HE2 GLN 129 5.043 9.368 11.168 975 HE22 GLN 129 2HE2 GLN 129 6.430 9.587 10.174 976 H GLY 130 H GLY 130 3.482 6.368 6.151 977 HA2 GLY 130 2HA GLY 130 1.161 4.699 6.205 978 HA3 GLY 130 1HA GLY 130 2.661 4.365 5.349 979 H GLY 131 H GLY 131 0.943 4.044 8.336 980 HA2 GLY 131 2HA GLY 131 1.014 2.207 9.790 981 HA3 GLY 131 1HA GLY 131 2.426 1.612 8.923 982 H ALA 132 H ALA 132 2.857 4.779 9.554 983 HA ALA 132 HA ALA 132 4.631 4.168 11.775 984 HB1 ALA 132 1HB ALA 132 5.650 6.373 11.297 985 HB2 ALA 132 2HB ALA 132 4.480 6.620 9.996 986 HB3 ALA 132 3HB ALA 132 5.655 5.314 9.892 987 H GLY 133 H GLY 133 4.804 6.298 13.247 988 HA2 GLY 133 2HA GLY 133 3.505 7.913 14.467 989 HA3 GLY 133 1HA GLY 133 2.057 6.990 14.045 990 H SER 134 H SER 134 2.947 4.480 14.458 991 HA SER 134 HA SER 134 3.684 4.381 17.282 992 HB2 SER 134 2HB SER 134 1.817 2.504 15.803 993 HB3 SER 134 1HB SER 134 2.158 2.503 17.532 994 HG SER 134 HG SER 134 1.363 4.826 17.304 Start of MODEL 5 1 H1 MET 1 1HT MET 1 0.421 13.523 -4.336 2 H2 MET 1 2HT MET 1 -0.497 14.320 -5.484 3 H3 MET 1 3HT MET 1 1.165 14.120 -5.728 4 HA MET 1 HA MET 1 -0.132 12.569 -7.048 5 HB2 MET 1 2HB MET 1 1.335 11.278 -4.735 6 HB3 MET 1 1HB MET 1 0.788 10.402 -6.147 7 HG2 MET 1 2HG MET 1 2.271 11.776 -7.549 8 HG3 MET 1 1HG MET 1 2.843 12.603 -6.101 9 HE1 MET 1 2HE MET 1 5.915 10.356 -7.061 10 HE2 MET 1 3HE MET 1 5.361 11.993 -6.718 11 HE3 MET 1 1HE MET 1 4.806 11.163 -8.173 12 H GLY 2 H GLY 2 -1.559 10.779 -7.064 13 HA2 GLY 2 2HA GLY 2 -3.021 9.340 -5.694 14 HA3 GLY 2 1HA GLY 2 -3.388 10.804 -4.774 15 H GLU 3 H GLU 3 -4.426 8.862 -7.205 16 HA GLU 3 HA GLU 3 -5.565 11.020 -8.765 17 HB2 GLU 3 2HB GLU 3 -4.714 8.930 -9.865 18 HB3 GLU 3 1HB GLU 3 -6.021 8.053 -9.082 19 HG2 GLU 3 2HG GLU 3 -6.580 8.539 -11.367 20 HG3 GLU 3 1HG GLU 3 -7.658 9.408 -10.270 21 H ASN 4 H ASN 4 -7.108 8.094 -7.486 22 HA ASN 4 HA ASN 4 -9.346 9.741 -6.620 23 HB2 ASN 4 2HB ASN 4 -10.825 7.817 -7.268 24 HB3 ASN 4 1HB ASN 4 -9.961 8.452 -8.647 25 HD21 ASN 4 1HD2 ASN 4 -11.166 5.911 -8.329 26 HD22 ASN 4 2HD2 ASN 4 -9.938 4.686 -8.396 27 H LYS 5 H LYS 5 -7.012 8.994 -5.383 28 HA LYS 5 HA LYS 5 -6.836 6.847 -3.683 29 HB2 LYS 5 2HB LYS 5 -5.576 8.372 -2.096 30 HB3 LYS 5 1HB LYS 5 -4.978 8.286 -3.746 31 HG2 LYS 5 2HG LYS 5 -5.717 10.432 -4.271 32 HG3 LYS 5 1HG LYS 5 -6.883 10.455 -2.958 33 HD2 LYS 5 2HD LYS 5 -3.895 10.469 -2.523 34 HD3 LYS 5 1HD LYS 5 -4.856 11.940 -2.661 35 HE2 LYS 5 2HE LYS 5 -6.260 11.089 -0.742 36 HE3 LYS 5 1HE LYS 5 -5.095 9.781 -0.550 37 HZ1 LYS 5 3HZ LYS 5 -4.693 11.658 0.958 38 HZ2 LYS 5 1HZ LYS 5 -4.487 12.672 -0.354 39 HZ3 LYS 5 2HZ LYS 5 -3.372 11.445 -0.084 40 H VAL 6 H VAL 6 -8.883 6.215 -2.844 41 HA VAL 6 HA VAL 6 -9.933 7.946 -0.820 42 HB VAL 6 HB VAL 6 -11.546 6.002 -0.362 43 HG11 VAL 6 1HG1 VAL 6 -12.947 6.654 -2.302 44 HG12 VAL 6 2HG1 VAL 6 -11.529 7.462 -2.992 45 HG13 VAL 6 3HG1 VAL 6 -12.216 8.030 -1.474 46 HG21 VAL 6 3HG2 VAL 6 -10.486 5.118 -3.054 47 HG22 VAL 6 1HG2 VAL 6 -11.903 4.457 -2.243 48 HG23 VAL 6 2HG2 VAL 6 -10.303 4.239 -1.535 49 H CYS 7 H CYS 7 -9.189 8.084 1.023 50 HA CYS 7 HA CYS 7 -7.826 5.898 2.368 51 HB2 CYS 7 2HB CYS 7 -8.300 8.808 3.150 52 HB3 CYS 7 1HB CYS 7 -7.255 7.664 3.994 53 HG CYS 7 HG CYS 7 -5.976 7.361 1.258 54 H GLY 8 H GLY 8 -8.680 5.878 4.913 55 HA2 GLY 8 2HA GLY 8 -10.797 4.325 4.947 56 HA3 GLY 8 1HA GLY 8 -10.406 5.386 6.286 57 H LEU 9 H LEU 9 -12.721 4.343 4.356 58 HA LEU 9 HA LEU 9 -14.450 6.592 4.823 59 HB2 LEU 9 2HB LEU 9 -13.303 6.620 2.493 60 HB3 LEU 9 1HB LEU 9 -14.247 5.184 2.166 61 HG LEU 9 HG LEU 9 -16.312 6.515 2.530 62 HD11 LEU 9 1HD1 LEU 9 -16.135 8.934 2.606 63 HD12 LEU 9 2HD1 LEU 9 -14.377 8.830 2.615 64 HD13 LEU 9 3HD1 LEU 9 -15.298 8.241 3.996 65 HD21 LEU 9 3HD2 LEU 9 -15.404 6.142 0.305 66 HD22 LEU 9 1HD2 LEU 9 -14.385 7.573 0.466 67 HD23 LEU 9 2HD2 LEU 9 -16.143 7.736 0.428 68 H THR 10 H THR 10 -16.641 5.693 4.925 69 HA THR 10 HA THR 10 -16.538 2.768 5.007 70 HB THR 10 HB THR 10 -16.349 3.586 7.323 71 HG1 THR 10 1HG THR 10 -18.612 2.171 6.477 72 HG21 THR 10 3HG2 THR 10 -19.044 4.855 6.811 73 HG22 THR 10 1HG2 THR 10 -17.539 5.700 7.170 74 HG23 THR 10 2HG2 THR 10 -18.297 4.684 8.399 75 H ARG 11 H ARG 11 -17.973 5.398 3.735 76 HA ARG 11 HA ARG 11 -20.549 4.106 3.533 77 HB2 ARG 11 2HB ARG 11 -19.658 6.821 2.565 78 HB3 ARG 11 1HB ARG 11 -21.291 6.187 2.429 79 HG2 ARG 11 2HG ARG 11 -21.436 6.110 4.882 80 HG3 ARG 11 1HG ARG 11 -19.810 6.785 4.978 81 HD2 ARG 11 2HD ARG 11 -22.205 8.093 3.706 82 HD3 ARG 11 1HD ARG 11 -21.491 8.527 5.257 83 HE ARG 11 HE ARG 11 -19.486 8.690 3.329 84 HH11 ARG 11 1HH1 ARG 11 -22.518 10.363 4.072 85 HH12 ARG 11 2HH1 ARG 11 -22.018 11.836 3.395 86 HH21 ARG 11 1HH2 ARG 11 -18.840 10.651 2.342 87 HH22 ARG 11 2HH2 ARG 11 -19.869 12.003 2.370 88 H GLY 12 H GLY 12 -20.757 2.694 1.929 89 HA2 GLY 12 2HA GLY 12 -18.994 2.296 -0.186 90 HA3 GLY 12 1HA GLY 12 -20.660 1.715 -0.081 91 H GLN 13 H GLN 13 -21.720 4.365 0.136 92 HA GLN 13 HA GLN 13 -22.410 4.750 -2.579 93 HB2 GLN 13 2HB GLN 13 -22.789 7.009 -0.694 94 HB3 GLN 13 1HB GLN 13 -23.908 6.329 -1.849 95 HG2 GLN 13 2HG GLN 13 -23.204 5.285 0.851 96 HG3 GLN 13 1HG GLN 13 -24.744 6.024 0.383 97 HE21 GLN 13 1HE2 GLN 13 -22.887 3.281 0.669 98 HE22 GLN 13 2HE2 GLN 13 -23.938 2.111 -0.034 99 H ASP 14 H ASP 14 -20.178 5.946 -0.408 100 HA ASP 14 HA ASP 14 -19.531 8.415 -1.794 101 HB2 ASP 14 2HB ASP 14 -19.952 8.118 0.693 102 HB3 ASP 14 1HB ASP 14 -18.444 7.292 0.797 103 H ALA 15 H ALA 15 -18.269 5.289 -0.898 104 HA ALA 15 HA ALA 15 -15.620 5.594 -1.818 105 HB1 ALA 15 1HB ALA 15 -16.295 3.798 -0.294 106 HB2 ALA 15 2HB ALA 15 -15.545 3.137 -1.755 107 HB3 ALA 15 3HB ALA 15 -17.302 3.099 -1.558 108 H LYS 16 H LYS 16 -18.625 4.632 -3.368 109 HA LYS 16 HA LYS 16 -17.593 3.687 -5.764 110 HB2 LYS 16 2HB LYS 16 -20.214 5.121 -5.362 111 HB3 LYS 16 1HB LYS 16 -19.764 4.249 -6.816 112 HG2 LYS 16 2HG LYS 16 -19.506 2.203 -5.303 113 HG3 LYS 16 1HG LYS 16 -20.333 3.182 -4.085 114 HD2 LYS 16 2HD LYS 16 -21.421 2.521 -6.823 115 HD3 LYS 16 1HD LYS 16 -21.892 1.715 -5.330 116 HE2 LYS 16 2HE LYS 16 -22.727 3.859 -4.469 117 HE3 LYS 16 1HE LYS 16 -22.265 4.638 -5.979 118 HZ1 LYS 16 3HZ LYS 16 -23.849 3.229 -7.155 119 HZ2 LYS 16 1HZ LYS 16 -24.622 4.077 -5.916 120 HZ3 LYS 16 2HZ LYS 16 -24.265 2.456 -5.716 121 H ALA 17 H ALA 17 -17.815 6.949 -4.649 122 HA ALA 17 HA ALA 17 -17.824 8.314 -7.098 123 HB1 ALA 17 1HB ALA 17 -16.498 9.160 -4.528 124 HB2 ALA 17 2HB ALA 17 -18.197 9.392 -4.923 125 HB3 ALA 17 3HB ALA 17 -16.954 10.217 -5.864 126 H ALA 18 H ALA 18 -15.206 6.840 -5.288 127 HA ALA 18 HA ALA 18 -13.101 7.955 -6.850 128 HB1 ALA 18 1HB ALA 18 -12.767 7.153 -4.590 129 HB2 ALA 18 2HB ALA 18 -11.713 6.286 -5.718 130 HB3 ALA 18 3HB ALA 18 -13.178 5.518 -5.094 131 H TYR 19 H TYR 19 -14.810 4.899 -6.778 132 HA TYR 19 HA TYR 19 -13.464 3.747 -8.969 133 HB2 TYR 19 2HB TYR 19 -14.493 2.021 -7.988 134 HB3 TYR 19 1HB TYR 19 -15.617 3.072 -7.170 135 HD1 TYR 19 2HD TYR 19 -14.925 1.228 -10.264 136 HD2 TYR 19 1HD TYR 19 -17.887 3.217 -7.987 137 HE1 TYR 19 2HE TYR 19 -16.661 0.380 -11.799 138 HE2 TYR 19 1HE TYR 19 -19.633 2.395 -9.501 139 HH TYR 19 HH TYR 19 -19.065 -0.026 -11.799 140 H ASP 20 H ASP 20 -16.170 5.806 -8.677 141 HA ASP 20 HA ASP 20 -17.144 5.698 -11.335 142 HB2 ASP 20 2HB ASP 20 -18.489 6.637 -9.542 143 HB3 ASP 20 1HB ASP 20 -17.296 7.897 -9.269 144 H ALA 21 H ALA 21 -14.534 7.431 -9.829 145 HA ALA 21 HA ALA 21 -14.081 9.295 -11.910 146 HB1 ALA 21 1HB ALA 21 -11.946 9.729 -10.816 147 HB2 ALA 21 2HB ALA 21 -12.145 8.271 -9.839 148 HB3 ALA 21 3HB ALA 21 -13.250 9.630 -9.628 149 H GLY 22 H GLY 22 -13.208 5.927 -11.539 150 HA2 GLY 22 2HA GLY 22 -12.714 5.571 -14.200 151 HA3 GLY 22 1HA GLY 22 -11.154 6.024 -13.540 152 H ALA 23 H ALA 23 -12.704 4.448 -11.101 153 HA ALA 23 HA ALA 23 -12.432 2.452 -10.074 154 HB1 ALA 23 1HB ALA 23 -12.740 0.419 -11.392 155 HB2 ALA 23 2HB ALA 23 -12.384 1.302 -12.874 156 HB3 ALA 23 3HB ALA 23 -13.852 1.664 -11.974 157 H ILE 24 H ILE 24 -10.192 4.039 -11.022 158 HA ILE 24 HA ILE 24 -8.076 2.468 -11.943 159 HB ILE 24 HB ILE 24 -7.821 5.002 -10.323 160 HG12 ILE 24 2HG1 ILE 24 -8.220 4.662 -13.315 161 HG13 ILE 24 1HG1 ILE 24 -9.435 5.271 -12.194 162 HG21 ILE 24 1HG2 ILE 24 -5.709 5.251 -11.533 163 HG22 ILE 24 2HG2 ILE 24 -6.065 3.814 -12.483 164 HG23 ILE 24 3HG2 ILE 24 -5.738 3.655 -10.765 165 HD11 ILE 24 3HD1 ILE 24 -8.067 7.175 -11.709 166 HD12 ILE 24 1HD1 ILE 24 -8.346 7.054 -13.449 167 HD13 ILE 24 2HD1 ILE 24 -6.788 6.563 -12.757 168 H TYR 25 H TYR 25 -8.264 3.883 -8.726 169 HA TYR 25 HA TYR 25 -7.748 1.397 -7.382 170 HB2 TYR 25 2HB TYR 25 -5.499 1.638 -6.786 171 HB3 TYR 25 1HB TYR 25 -5.525 2.154 -8.473 172 HD1 TYR 25 2HD TYR 25 -5.622 4.580 -8.965 173 HD2 TYR 25 1HD TYR 25 -4.817 2.995 -5.166 174 HE1 TYR 25 2HE TYR 25 -4.748 6.692 -8.324 175 HE2 TYR 25 1HE TYR 25 -3.956 5.031 -4.420 176 HH TYR 25 HH TYR 25 -2.925 7.111 -5.463 177 H GLY 26 H GLY 26 -7.044 1.950 -5.036 178 HA2 GLY 26 2HA GLY 26 -8.258 4.435 -4.162 179 HA3 GLY 26 1HA GLY 26 -8.788 2.911 -3.411 180 H GLY 27 H GLY 27 -7.245 5.208 -2.230 181 HA2 GLY 27 2HA GLY 27 -4.695 3.815 -1.764 182 HA3 GLY 27 1HA GLY 27 -4.817 5.566 -1.904 183 H LEU 28 H LEU 28 -5.442 2.794 0.070 184 HA LEU 28 HA LEU 28 -5.805 4.571 2.280 185 HB2 LEU 28 2HB LEU 28 -7.376 2.867 3.331 186 HB3 LEU 28 1HB LEU 28 -8.028 3.829 2.039 187 HG LEU 28 HG LEU 28 -8.889 1.555 2.008 188 HD11 LEU 28 1HD1 LEU 28 -8.790 2.687 -0.089 189 HD12 LEU 28 2HD1 LEU 28 -8.535 0.959 -0.301 190 HD13 LEU 28 3HD1 LEU 28 -7.165 2.068 -0.381 191 HD21 LEU 28 3HD2 LEU 28 -7.496 -0.382 1.424 192 HD22 LEU 28 1HD2 LEU 28 -7.022 0.326 2.969 193 HD23 LEU 28 2HD2 LEU 28 -6.057 0.628 1.522 194 H ILE 29 H ILE 29 -5.197 3.702 4.252 195 HA ILE 29 HA ILE 29 -3.243 1.581 3.895 196 HB ILE 29 HB ILE 29 -2.034 2.580 5.914 197 HG12 ILE 29 2HG1 ILE 29 -3.363 5.065 4.794 198 HG13 ILE 29 1HG1 ILE 29 -3.671 4.379 6.381 199 HG21 ILE 29 1HG2 ILE 29 -1.887 3.659 3.143 200 HG22 ILE 29 2HG2 ILE 29 -1.245 2.159 3.828 201 HG23 ILE 29 3HG2 ILE 29 -0.596 3.728 4.383 202 HD11 ILE 29 3HD1 ILE 29 -1.346 4.831 7.014 203 HD12 ILE 29 1HD1 ILE 29 -2.199 6.297 6.530 204 HD13 ILE 29 2HD1 ILE 29 -1.060 5.536 5.421 205 H PHE 30 H PHE 30 -2.560 0.422 5.606 206 HA PHE 30 HA PHE 30 -4.924 -0.684 6.905 207 HB2 PHE 30 2HB PHE 30 -2.093 -1.709 7.210 208 HB3 PHE 30 1HB PHE 30 -3.575 -2.564 7.580 209 HD1 PHE 30 1HD PHE 30 -4.943 -3.523 5.755 210 HD2 PHE 30 2HD PHE 30 -1.249 -1.526 5.032 211 HE1 PHE 30 1HE PHE 30 -4.825 -4.513 3.458 212 HE2 PHE 30 2HE PHE 30 -1.135 -2.498 2.811 213 HZ PHE 30 HZ PHE 30 -2.895 -3.958 2.003 214 H VAL 31 H VAL 31 -5.265 1.168 8.355 215 HA VAL 31 HA VAL 31 -3.374 1.490 10.493 216 HB VAL 31 HB VAL 31 -5.005 3.312 9.645 217 HG11 VAL 31 1HG1 VAL 31 -6.881 2.004 9.286 218 HG12 VAL 31 2HG1 VAL 31 -7.232 3.289 10.447 219 HG13 VAL 31 3HG1 VAL 31 -6.985 1.631 11.001 220 HG21 VAL 31 3HG2 VAL 31 -3.788 3.430 11.817 221 HG22 VAL 31 1HG2 VAL 31 -5.170 2.665 12.584 222 HG23 VAL 31 2HG2 VAL 31 -5.331 4.262 11.832 223 H ALA 32 H ALA 32 -3.770 0.714 12.673 224 HA ALA 32 HA ALA 32 -5.551 -1.520 12.817 225 HB1 ALA 32 1HB ALA 32 -3.993 -0.095 14.993 226 HB2 ALA 32 2HB ALA 32 -3.465 -1.538 14.127 227 HB3 ALA 32 3HB ALA 32 -4.869 -1.613 15.195 228 H THR 33 H THR 33 -7.439 -0.613 12.280 229 HA THR 33 HA THR 33 -9.408 0.338 12.448 230 HB THR 33 HB THR 33 -10.518 0.246 14.707 231 HG1 THR 33 1HG THR 33 -8.013 0.319 15.533 232 HG21 THR 33 3HG2 THR 33 -10.467 -1.660 13.157 233 HG22 THR 33 1HG2 THR 33 -10.351 -2.211 14.835 234 HG23 THR 33 2HG2 THR 33 -8.906 -2.135 13.819 235 H SER 34 H SER 34 -8.379 2.466 11.633 236 HA SER 34 HA SER 34 -9.786 4.505 13.173 237 HB2 SER 34 2HB SER 34 -7.112 4.984 11.845 238 HB3 SER 34 1HB SER 34 -8.058 6.128 12.786 239 HG SER 34 HG SER 34 -7.703 4.074 14.354 240 HA PRO 35 HA PRO 35 -11.991 4.437 9.535 241 HB2 PRO 35 2HB PRO 35 -13.528 6.622 9.938 242 HB3 PRO 35 1HB PRO 35 -13.772 5.091 10.790 243 HG2 PRO 35 2HG PRO 35 -12.336 7.552 11.703 244 HG3 PRO 35 1HG PRO 35 -13.506 6.554 12.586 245 HD2 PRO 35 2HD PRO 35 -10.870 6.321 12.989 246 HD3 PRO 35 1HD PRO 35 -11.949 4.905 13.035 247 H ARG 36 H ARG 36 -9.551 6.604 9.959 248 HA ARG 36 HA ARG 36 -10.254 7.923 7.454 249 HB2 ARG 36 2HB ARG 36 -7.968 8.651 9.299 250 HB3 ARG 36 1HB ARG 36 -8.400 9.498 7.823 251 HG2 ARG 36 2HG ARG 36 -9.889 9.387 10.426 252 HG3 ARG 36 1HG ARG 36 -9.243 10.798 9.601 253 HD2 ARG 36 2HD ARG 36 -11.610 9.116 8.749 254 HD3 ARG 36 1HD ARG 36 -11.654 10.744 9.396 255 HE ARG 36 HE ARG 36 -10.196 10.408 6.903 256 HH11 ARG 36 1HH1 ARG 36 -13.301 11.233 8.421 257 HH12 ARG 36 2HH1 ARG 36 -13.914 12.023 7.047 258 HH21 ARG 36 1HH2 ARG 36 -11.077 11.472 4.989 259 HH22 ARG 36 2HH2 ARG 36 -12.632 12.141 5.033 260 H CYS 37 H CYS 37 -8.738 5.174 8.468 261 HA CYS 37 HA CYS 37 -7.469 5.002 5.892 262 HB2 CYS 37 2HB CYS 37 -6.439 3.981 8.536 263 HB3 CYS 37 1HB CYS 37 -5.672 3.685 6.975 264 HG CYS 37 HG CYS 37 -5.132 6.523 6.633 265 H VAL 38 H VAL 38 -7.367 2.404 5.498 266 HA VAL 38 HA VAL 38 -9.558 1.237 6.951 267 HB VAL 38 HB VAL 38 -9.725 2.041 4.116 268 HG11 VAL 38 1HG1 VAL 38 -9.264 -0.351 3.759 269 HG12 VAL 38 2HG1 VAL 38 -10.928 0.062 3.339 270 HG13 VAL 38 3HG1 VAL 38 -10.576 -0.766 4.862 271 HG21 VAL 38 3HG2 VAL 38 -12.106 1.818 4.574 272 HG22 VAL 38 1HG2 VAL 38 -11.303 2.694 5.883 273 HG23 VAL 38 2HG2 VAL 38 -11.733 1.005 6.094 274 H ASN 39 H ASN 39 -9.463 -0.774 7.279 275 HA ASN 39 HA ASN 39 -7.085 -2.203 6.326 276 HB2 ASN 39 2HB ASN 39 -7.190 -3.472 8.509 277 HB3 ASN 39 1HB ASN 39 -6.595 -1.847 8.615 278 HD21 ASN 39 1HD2 ASN 39 -9.104 -3.995 9.421 279 HD22 ASN 39 2HD2 ASN 39 -9.957 -2.970 10.487 280 H VAL 40 H VAL 40 -7.319 -4.584 6.733 281 HA VAL 40 HA VAL 40 -8.902 -5.495 4.721 282 HB VAL 40 HB VAL 40 -7.766 -7.021 7.072 283 HG11 VAL 40 1HG1 VAL 40 -8.826 -8.123 4.481 284 HG12 VAL 40 2HG1 VAL 40 -9.573 -8.342 6.065 285 HG13 VAL 40 3HG1 VAL 40 -7.983 -9.035 5.730 286 HG21 VAL 40 3HG2 VAL 40 -6.860 -6.589 4.258 287 HG22 VAL 40 1HG2 VAL 40 -6.080 -7.625 5.449 288 HG23 VAL 40 2HG2 VAL 40 -6.169 -5.879 5.715 289 H GLU 41 H GLU 41 -9.845 -5.089 8.018 290 HA GLU 41 HA GLU 41 -12.153 -6.662 8.179 291 HB2 GLU 41 2HB GLU 41 -11.332 -4.051 9.301 292 HB3 GLU 41 1HB GLU 41 -12.853 -4.797 9.732 293 HG2 GLU 41 2HG GLU 41 -11.640 -6.636 10.752 294 HG3 GLU 41 1HG GLU 41 -10.107 -5.954 10.201 295 H GLN 42 H GLN 42 -11.758 -3.236 7.388 296 HA GLN 42 HA GLN 42 -14.540 -2.918 6.683 297 HB2 GLN 42 2HB GLN 42 -12.214 -1.032 6.474 298 HB3 GLN 42 1HB GLN 42 -13.925 -0.549 6.338 299 HG2 GLN 42 2HG GLN 42 -13.817 -0.153 8.530 300 HG3 GLN 42 1HG GLN 42 -13.574 -1.889 8.776 301 HE21 GLN 42 1HE2 GLN 42 -12.035 -1.845 10.389 302 HE22 GLN 42 2HE2 GLN 42 -10.514 -1.075 10.151 303 H ALA 43 H ALA 43 -11.437 -3.125 5.163 304 HA ALA 43 HA ALA 43 -12.156 -2.304 2.649 305 HB1 ALA 43 1HB ALA 43 -10.110 -3.346 1.842 306 HB2 ALA 43 2HB ALA 43 -9.970 -4.235 3.357 307 HB3 ALA 43 3HB ALA 43 -9.844 -2.477 3.351 308 H GLN 44 H GLN 44 -12.617 -5.336 4.238 309 HA GLN 44 HA GLN 44 -12.895 -7.139 2.120 310 HB2 GLN 44 2HB GLN 44 -13.004 -7.371 4.770 311 HB3 GLN 44 1HB GLN 44 -14.743 -7.342 4.460 312 HG2 GLN 44 2HG GLN 44 -14.424 -9.574 4.310 313 HG3 GLN 44 1HG GLN 44 -13.936 -9.181 2.660 314 HE21 GLN 44 1HE2 GLN 44 -11.468 -7.835 3.669 315 HE22 GLN 44 2HE2 GLN 44 -10.416 -9.071 4.184 316 H GLU 45 H GLU 45 -15.103 -4.864 3.596 317 HA GLU 45 HA GLU 45 -17.336 -5.706 1.972 318 HB2 GLU 45 2HB GLU 45 -17.085 -3.501 4.012 319 HB3 GLU 45 1HB GLU 45 -18.581 -3.983 3.222 320 HG2 GLU 45 2HG GLU 45 -18.327 -6.237 4.208 321 HG3 GLU 45 1HG GLU 45 -16.899 -5.664 5.064 322 H VAL 46 H VAL 46 -15.232 -2.874 2.334 323 HA VAL 46 HA VAL 46 -16.659 -1.278 0.504 324 HB VAL 46 HB VAL 46 -14.967 -0.533 2.324 325 HG11 VAL 46 1HG1 VAL 46 -12.711 -0.334 1.885 326 HG12 VAL 46 2HG1 VAL 46 -12.973 -0.525 0.162 327 HG13 VAL 46 3HG1 VAL 46 -13.149 -1.927 1.197 328 HG21 VAL 46 3HG2 VAL 46 -16.116 1.066 0.909 329 HG22 VAL 46 1HG2 VAL 46 -14.934 0.810 -0.377 330 HG23 VAL 46 2HG2 VAL 46 -14.437 1.555 1.143 331 H MET 47 H MET 47 -14.239 -3.728 -0.019 332 HA MET 47 HA MET 47 -13.458 -2.936 -2.630 333 HB2 MET 47 2HB MET 47 -12.538 -5.176 -2.917 334 HB3 MET 47 1HB MET 47 -12.130 -4.557 -1.326 335 HG2 MET 47 2HG MET 47 -13.936 -5.920 -0.356 336 HG3 MET 47 1HG MET 47 -14.286 -6.563 -1.955 337 HE1 MET 47 3HE MET 47 -11.049 -8.622 -2.753 338 HE2 MET 47 1HE MET 47 -11.380 -6.952 -3.212 339 HE3 MET 47 2HE MET 47 -12.659 -8.161 -3.307 340 H ALA 48 H ALA 48 -16.335 -4.302 -1.477 341 HA ALA 48 HA ALA 48 -17.112 -5.297 -4.097 342 HB1 ALA 48 1HB ALA 48 -17.686 -6.637 -2.138 343 HB2 ALA 48 2HB ALA 48 -19.145 -6.063 -2.947 344 HB3 ALA 48 3HB ALA 48 -18.587 -5.285 -1.464 345 H ALA 49 H ALA 49 -17.410 -2.544 -2.080 346 HA ALA 49 HA ALA 49 -19.803 -1.489 -3.242 347 HB1 ALA 49 1HB ALA 49 -19.278 0.536 -1.988 348 HB2 ALA 49 2HB ALA 49 -17.667 -0.086 -1.636 349 HB3 ALA 49 3HB ALA 49 -19.084 -0.888 -0.963 350 H ALA 50 H ALA 50 -16.288 -0.833 -3.621 351 HA ALA 50 HA ALA 50 -16.929 0.370 -6.147 352 HB1 ALA 50 1HB ALA 50 -15.039 1.923 -5.707 353 HB2 ALA 50 2HB ALA 50 -14.948 1.307 -4.059 354 HB3 ALA 50 3HB ALA 50 -16.389 2.164 -4.610 355 HA PRO 51 HA PRO 51 -14.203 -3.201 -6.788 356 HB2 PRO 51 2HB PRO 51 -14.737 -3.520 -9.415 357 HB3 PRO 51 1HB PRO 51 -15.883 -3.975 -8.139 358 HG2 PRO 51 2HG PRO 51 -15.815 -1.480 -9.794 359 HG3 PRO 51 1HG PRO 51 -17.190 -2.548 -9.453 360 HD2 PRO 51 2HD PRO 51 -16.764 -0.266 -8.096 361 HD3 PRO 51 1HD PRO 51 -17.482 -1.696 -7.326 362 H LEU 52 H LEU 52 -13.017 -0.744 -6.573 363 HA LEU 52 HA LEU 52 -11.356 -0.385 -8.908 364 HB2 LEU 52 2HB LEU 52 -10.376 1.462 -7.395 365 HB3 LEU 52 1HB LEU 52 -11.936 1.763 -8.116 366 HG LEU 52 HG LEU 52 -12.792 0.801 -5.806 367 HD11 LEU 52 1HD1 LEU 52 -10.690 0.111 -4.937 368 HD12 LEU 52 2HD1 LEU 52 -11.419 1.353 -3.929 369 HD13 LEU 52 3HD1 LEU 52 -10.078 1.768 -5.006 370 HD21 LEU 52 3HD2 LEU 52 -13.354 3.008 -6.475 371 HD22 LEU 52 1HD2 LEU 52 -11.707 3.589 -6.142 372 HD23 LEU 52 2HD2 LEU 52 -12.758 3.049 -4.828 373 H GLN 53 H GLN 53 -8.882 -0.048 -8.279 374 HA GLN 53 HA GLN 53 -7.983 -2.557 -7.391 375 HB2 GLN 53 2HB GLN 53 -7.168 -0.983 -9.212 376 HB3 GLN 53 1HB GLN 53 -6.453 -0.057 -7.907 377 HG2 GLN 53 2HG GLN 53 -5.506 -2.222 -7.191 378 HG3 GLN 53 1HG GLN 53 -5.952 -2.722 -8.848 379 HE21 GLN 53 1HE2 GLN 53 -3.808 -0.779 -6.931 380 HE22 GLN 53 2HE2 GLN 53 -2.781 -0.274 -8.231 381 H TYR 54 H TYR 54 -6.946 -2.951 -5.400 382 HA TYR 54 HA TYR 54 -6.842 -0.662 -3.622 383 HB2 TYR 54 2HB TYR 54 -7.363 -3.568 -3.014 384 HB3 TYR 54 1HB TYR 54 -6.813 -2.454 -1.761 385 HD1 TYR 54 2HD TYR 54 -9.532 -2.976 -4.258 386 HD2 TYR 54 1HD TYR 54 -8.302 -1.029 -0.699 387 HE1 TYR 54 2HE TYR 54 -11.812 -2.118 -3.955 388 HE2 TYR 54 1HE TYR 54 -10.577 -0.147 -0.386 389 HH TYR 54 HH TYR 54 -13.268 -1.166 -2.280 390 H VAL 55 H VAL 55 -5.097 -0.131 -2.520 391 HA VAL 55 HA VAL 55 -2.688 -1.680 -3.012 392 HB VAL 55 HB VAL 55 -2.734 0.259 -4.594 393 HG11 VAL 55 1HG1 VAL 55 -2.796 1.968 -2.114 394 HG12 VAL 55 2HG1 VAL 55 -4.081 1.811 -3.303 395 HG13 VAL 55 3HG1 VAL 55 -2.546 2.550 -3.760 396 HG21 VAL 55 3HG2 VAL 55 -0.699 0.596 -2.410 397 HG22 VAL 55 1HG2 VAL 55 -0.537 1.152 -4.070 398 HG23 VAL 55 2HG2 VAL 55 -0.595 -0.583 -3.696 399 H GLY 56 H GLY 56 -1.249 -1.599 -1.363 400 HA2 GLY 56 2HA GLY 56 -2.248 -0.349 1.153 401 HA3 GLY 56 1HA GLY 56 -1.556 -1.988 0.999 402 H VAL 57 H VAL 57 -0.922 0.852 2.197 403 HA VAL 57 HA VAL 57 1.964 0.581 1.672 404 HB VAL 57 HB VAL 57 0.561 2.964 2.942 405 HG11 VAL 57 1HG1 VAL 57 2.864 2.780 3.590 406 HG12 VAL 57 2HG1 VAL 57 2.643 4.177 2.536 407 HG13 VAL 57 3HG1 VAL 57 3.367 2.702 1.901 408 HG21 VAL 57 3HG2 VAL 57 -0.194 2.822 0.640 409 HG22 VAL 57 1HG2 VAL 57 1.472 2.726 0.073 410 HG23 VAL 57 2HG2 VAL 57 0.889 4.200 0.840 411 H PHE 58 H PHE 58 3.175 -0.061 3.445 412 HA PHE 58 HA PHE 58 2.052 0.099 6.089 413 HB2 PHE 58 2HB PHE 58 0.825 -1.812 5.104 414 HB3 PHE 58 1HB PHE 58 2.342 -2.567 4.670 415 HD1 PHE 58 2HD PHE 58 0.605 -1.244 7.701 416 HD2 PHE 58 1HD PHE 58 3.088 -4.265 6.023 417 HE1 PHE 58 2HE PHE 58 0.588 -2.447 9.849 418 HE2 PHE 58 1HE PHE 58 3.071 -5.478 8.167 419 HZ PHE 58 HZ PHE 58 1.821 -4.566 10.083 420 H ARG 59 H ARG 59 3.658 -0.333 7.643 421 HA ARG 59 HA ARG 59 6.355 -0.558 6.619 422 HB2 ARG 59 2HB ARG 59 5.335 -0.468 9.481 423 HB3 ARG 59 1HB ARG 59 7.021 -0.391 9.003 424 HG2 ARG 59 2HG ARG 59 6.539 1.741 7.831 425 HG3 ARG 59 1HG ARG 59 4.894 1.676 8.469 426 HD2 ARG 59 2HD ARG 59 5.791 1.661 10.754 427 HD3 ARG 59 1HD ARG 59 7.422 1.722 10.096 428 HE ARG 59 HE ARG 59 5.582 3.866 9.390 429 HH11 ARG 59 1HH1 ARG 59 8.412 2.807 11.272 430 HH12 ARG 59 2HH1 ARG 59 8.930 4.371 11.657 431 HH21 ARG 59 1HH2 ARG 59 6.305 6.075 9.961 432 HH22 ARG 59 2HH2 ARG 59 7.699 6.261 10.903 433 H ASN 60 H ASN 60 6.930 -2.569 6.027 434 HA ASN 60 HA ASN 60 5.310 -4.715 6.853 435 HB2 ASN 60 2HB ASN 60 7.620 -4.494 4.929 436 HB3 ASN 60 1HB ASN 60 6.868 -6.029 5.329 437 HD21 ASN 60 1HD2 ASN 60 5.096 -2.967 4.872 438 HD22 ASN 60 2HD2 ASN 60 4.331 -3.493 3.419 439 H HIS 61 H HIS 61 5.639 -5.558 8.438 440 HA HIS 61 HA HIS 61 8.307 -5.948 9.618 441 HB2 HIS 61 2HB HIS 61 5.656 -6.389 11.015 442 HB3 HIS 61 1HB HIS 61 7.252 -6.401 11.763 443 HD1 HIS 61 1HD HIS 61 8.523 -3.815 11.094 444 HD2 HIS 61 2HD HIS 61 4.408 -4.124 11.580 445 HE1 HIS 61 1HE HIS 61 7.694 -1.488 11.530 446 H ASP 62 H ASP 62 5.362 -7.941 9.878 447 HA ASP 62 HA ASP 62 6.997 -10.334 9.322 448 HB2 ASP 62 2HB ASP 62 5.332 -10.295 11.221 449 HB3 ASP 62 1HB ASP 62 4.070 -10.193 9.987 450 H ILE 63 H ILE 63 7.221 -11.046 7.442 451 HA ILE 63 HA ILE 63 5.908 -9.890 5.241 452 HB ILE 63 HB ILE 63 8.150 -10.783 5.019 453 HG12 ILE 63 2HG1 ILE 63 6.364 -12.514 3.317 454 HG13 ILE 63 1HG1 ILE 63 6.532 -10.783 3.067 455 HG21 ILE 63 1HG2 ILE 63 6.939 -13.491 5.531 456 HG22 ILE 63 2HG2 ILE 63 8.038 -12.610 6.590 457 HG23 ILE 63 3HG2 ILE 63 8.607 -13.201 5.025 458 HD11 ILE 63 3HD1 ILE 63 8.765 -12.810 2.943 459 HD12 ILE 63 1HD1 ILE 63 8.929 -11.089 2.630 460 HD13 ILE 63 2HD1 ILE 63 7.973 -12.085 1.550 461 H ALA 64 H ALA 64 5.114 -12.656 7.154 462 HA ALA 64 HA ALA 64 3.322 -13.634 5.114 463 HB1 ALA 64 1HB ALA 64 2.714 -15.357 6.698 464 HB2 ALA 64 2HB ALA 64 3.553 -14.470 7.973 465 HB3 ALA 64 3HB ALA 64 4.477 -15.174 6.643 466 H ASP 65 H ASP 65 3.245 -11.276 7.461 467 HA ASP 65 HA ASP 65 0.390 -11.390 7.918 468 HB2 ASP 65 2HB ASP 65 1.801 -10.516 9.738 469 HB3 ASP 65 1HB ASP 65 2.394 -9.250 8.674 470 H VAL 66 H VAL 66 2.677 -9.497 6.060 471 HA VAL 66 HA VAL 66 0.615 -7.867 4.975 472 HB VAL 66 HB VAL 66 3.006 -7.101 5.135 473 HG11 VAL 66 1HG1 VAL 66 4.116 -9.097 4.504 474 HG12 VAL 66 2HG1 VAL 66 4.619 -7.743 3.484 475 HG13 VAL 66 3HG1 VAL 66 3.499 -8.955 2.857 476 HG21 VAL 66 3HG2 VAL 66 3.074 -5.928 2.983 477 HG22 VAL 66 1HG2 VAL 66 1.462 -5.900 3.693 478 HG23 VAL 66 2HG2 VAL 66 1.820 -7.002 2.363 479 H VAL 67 H VAL 67 2.231 -10.834 3.969 480 HA VAL 67 HA VAL 67 1.083 -11.103 1.422 481 HB VAL 67 HB VAL 67 1.935 -13.249 3.413 482 HG11 VAL 67 1HG1 VAL 67 1.148 -13.605 0.521 483 HG12 VAL 67 2HG1 VAL 67 0.246 -14.209 1.913 484 HG13 VAL 67 3HG1 VAL 67 1.850 -14.855 1.547 485 HG21 VAL 67 3HG2 VAL 67 3.213 -12.239 0.874 486 HG22 VAL 67 1HG2 VAL 67 3.842 -13.514 1.915 487 HG23 VAL 67 2HG2 VAL 67 3.727 -11.862 2.519 488 H ASP 68 H ASP 68 -0.099 -11.947 4.594 489 HA ASP 68 HA ASP 68 -2.478 -13.222 4.016 490 HB2 ASP 68 2HB ASP 68 -1.768 -13.102 6.269 491 HB3 ASP 68 1HB ASP 68 -1.706 -11.348 6.240 492 H LYS 69 H LYS 69 -1.918 -9.756 4.352 493 HA LYS 69 HA LYS 69 -4.618 -8.940 3.822 494 HB2 LYS 69 2HB LYS 69 -2.148 -7.293 3.271 495 HB3 LYS 69 1HB LYS 69 -3.749 -6.713 3.699 496 HG2 LYS 69 2HG LYS 69 -1.805 -8.128 5.534 497 HG3 LYS 69 1HG LYS 69 -2.243 -6.410 5.517 498 HD2 LYS 69 2HD LYS 69 -4.408 -6.843 6.229 499 HD3 LYS 69 1HD LYS 69 -4.221 -8.589 5.976 500 HE2 LYS 69 2HE LYS 69 -2.652 -6.957 7.945 501 HE3 LYS 69 1HE LYS 69 -4.141 -7.829 8.310 502 HZ1 LYS 69 3HZ LYS 69 -2.122 -9.152 8.858 503 HZ2 LYS 69 1HZ LYS 69 -1.686 -9.095 7.238 504 HZ3 LYS 69 2HZ LYS 69 -3.097 -9.888 7.685 505 H ALA 70 H ALA 70 -1.722 -9.151 1.826 506 HA ALA 70 HA ALA 70 -2.796 -8.171 -0.573 507 HB1 ALA 70 1HB ALA 70 -0.577 -10.180 -0.210 508 HB2 ALA 70 2HB ALA 70 -0.391 -8.429 -0.132 509 HB3 ALA 70 3HB ALA 70 -0.876 -9.195 -1.643 510 H LYS 71 H LYS 71 -2.845 -11.325 0.860 511 HA LYS 71 HA LYS 71 -3.932 -12.703 -1.391 512 HB2 LYS 71 2HB LYS 71 -2.675 -13.886 0.296 513 HB3 LYS 71 1HB LYS 71 -3.800 -13.355 1.537 514 HG2 LYS 71 2HG LYS 71 -5.582 -14.656 0.377 515 HG3 LYS 71 1HG LYS 71 -4.344 -15.286 -0.708 516 HD2 LYS 71 2HD LYS 71 -4.774 -16.864 1.064 517 HD3 LYS 71 1HD LYS 71 -3.146 -16.194 1.232 518 HE2 LYS 71 2HE LYS 71 -3.944 -14.687 2.993 519 HE3 LYS 71 1HE LYS 71 -5.584 -15.298 2.789 520 HZ1 LYS 71 3HZ LYS 71 -4.423 -16.277 4.671 521 HZ2 LYS 71 1HZ LYS 71 -3.240 -16.887 3.656 522 HZ3 LYS 71 2HZ LYS 71 -4.829 -17.458 3.548 523 H VAL 72 H VAL 72 -5.273 -11.733 1.760 524 HA VAL 72 HA VAL 72 -7.887 -12.597 1.331 525 HB VAL 72 HB VAL 72 -6.993 -10.357 3.173 526 HG11 VAL 72 1HG1 VAL 72 -9.008 -10.842 4.439 527 HG12 VAL 72 2HG1 VAL 72 -9.481 -12.042 3.237 528 HG13 VAL 72 3HG1 VAL 72 -9.395 -10.334 2.794 529 HG21 VAL 72 3HG2 VAL 72 -5.814 -12.377 3.679 530 HG22 VAL 72 1HG2 VAL 72 -7.319 -13.315 3.690 531 HG23 VAL 72 2HG2 VAL 72 -7.022 -12.078 4.920 532 H LEU 73 H LEU 73 -6.724 -9.219 1.173 533 HA LEU 73 HA LEU 73 -9.190 -8.360 -0.032 534 HB2 LEU 73 2HB LEU 73 -6.560 -6.940 0.237 535 HB3 LEU 73 1HB LEU 73 -8.052 -6.210 -0.310 536 HG LEU 73 HG LEU 73 -7.512 -7.321 2.426 537 HD11 LEU 73 1HD1 LEU 73 -7.669 -4.950 3.100 538 HD12 LEU 73 2HD1 LEU 73 -7.819 -4.499 1.401 539 HD13 LEU 73 3HD1 LEU 73 -6.336 -5.250 1.987 540 HD21 LEU 73 3HD2 LEU 73 -9.961 -5.952 1.303 541 HD22 LEU 73 1HD2 LEU 73 -9.707 -6.364 2.999 542 HD23 LEU 73 2HD2 LEU 73 -9.844 -7.641 1.799 543 H SER 74 H SER 74 -6.583 -9.986 -1.264 544 HA SER 74 HA SER 74 -5.467 -10.117 -3.177 545 HB2 SER 74 2HB SER 74 -6.992 -10.251 -5.258 546 HB3 SER 74 1HB SER 74 -7.362 -11.354 -3.935 547 HG SER 74 HG SER 74 -8.599 -8.954 -3.695 548 H LEU 75 H LEU 75 -4.400 -8.244 -2.600 549 HA LEU 75 HA LEU 75 -5.086 -5.698 -3.627 550 HB2 LEU 75 2HB LEU 75 -2.499 -6.714 -2.481 551 HB3 LEU 75 1HB LEU 75 -2.882 -5.032 -2.789 552 HG LEU 75 HG LEU 75 -4.317 -6.818 -0.825 553 HD11 LEU 75 1HD1 LEU 75 -3.275 -5.496 0.880 554 HD12 LEU 75 2HD1 LEU 75 -2.417 -4.537 -0.333 555 HD13 LEU 75 3HD1 LEU 75 -2.048 -6.257 -0.131 556 HD21 LEU 75 3HD2 LEU 75 -5.795 -5.172 -1.745 557 HD22 LEU 75 1HD2 LEU 75 -4.625 -3.885 -1.438 558 HD23 LEU 75 2HD2 LEU 75 -5.378 -4.736 -0.085 559 H ALA 76 H ALA 76 -3.130 -4.512 -4.692 560 HA ALA 76 HA ALA 76 -2.368 -6.087 -7.032 561 HB1 ALA 76 1HB ALA 76 -2.847 -4.199 -8.479 562 HB2 ALA 76 2HB ALA 76 -3.434 -3.284 -7.091 563 HB3 ALA 76 3HB ALA 76 -4.294 -4.733 -7.621 564 H ALA 77 H ALA 77 -1.788 -3.213 -5.039 565 HA ALA 77 HA ALA 77 1.021 -3.798 -5.444 566 HB1 ALA 77 1HB ALA 77 0.577 -2.002 -6.894 567 HB2 ALA 77 2HB ALA 77 1.451 -1.332 -5.502 568 HB3 ALA 77 3HB ALA 77 -0.279 -1.102 -5.656 569 H VAL 78 H VAL 78 2.320 -3.124 -3.756 570 HA VAL 78 HA VAL 78 1.077 -2.089 -1.329 571 HB VAL 78 HB VAL 78 1.076 -4.481 -0.986 572 HG11 VAL 78 1HG1 VAL 78 3.982 -4.255 -1.768 573 HG12 VAL 78 2HG1 VAL 78 2.742 -5.225 -2.557 574 HG13 VAL 78 3HG1 VAL 78 3.359 -5.700 -0.962 575 HG21 VAL 78 3HG2 VAL 78 1.626 -3.150 0.978 576 HG22 VAL 78 1HG2 VAL 78 3.338 -3.203 0.554 577 HG23 VAL 78 2HG2 VAL 78 2.501 -4.683 1.036 578 H GLN 79 H GLN 79 2.503 -0.706 -0.178 579 HA GLN 79 HA GLN 79 4.936 -0.170 -1.569 580 HB2 GLN 79 2HB GLN 79 3.083 1.364 0.133 581 HB3 GLN 79 1HB GLN 79 4.757 1.858 0.037 582 HG2 GLN 79 2HG GLN 79 3.520 3.119 -1.558 583 HG3 GLN 79 1HG GLN 79 4.495 1.950 -2.438 584 HE21 GLN 79 1HE2 GLN 79 3.412 0.071 -3.360 585 HE22 GLN 79 2HE2 GLN 79 1.728 0.186 -3.688 586 H LEU 80 H LEU 80 6.765 -0.463 -0.771 587 HA LEU 80 HA LEU 80 6.955 -1.723 1.818 588 HB2 LEU 80 2HB LEU 80 8.516 -1.791 -0.643 589 HB3 LEU 80 1HB LEU 80 9.490 -1.736 0.811 590 HG LEU 80 HG LEU 80 9.129 -4.025 0.042 591 HD11 LEU 80 1HD1 LEU 80 7.747 -3.398 2.649 592 HD12 LEU 80 2HD1 LEU 80 9.481 -3.561 2.399 593 HD13 LEU 80 3HD1 LEU 80 8.430 -4.953 2.177 594 HD21 LEU 80 3HD2 LEU 80 6.909 -5.056 0.162 595 HD22 LEU 80 1HD2 LEU 80 6.910 -3.722 -0.984 596 HD23 LEU 80 2HD2 LEU 80 6.199 -3.508 0.613 597 H HIS 81 H HIS 81 7.506 -0.720 3.518 598 HA HIS 81 HA HIS 81 8.814 1.852 3.487 599 HB2 HIS 81 2HB HIS 81 7.080 1.120 5.230 600 HB3 HIS 81 1HB HIS 81 8.285 -0.001 5.840 601 HD1 HIS 81 1HD HIS 81 9.599 0.932 7.864 602 HD2 HIS 81 2HD HIS 81 8.105 3.917 5.345 603 HE1 HIS 81 1HE HIS 81 10.067 3.098 8.979 604 H GLY 82 H GLY 82 10.737 1.492 2.544 605 HA2 GLY 82 2HA GLY 82 12.329 -0.761 2.708 606 HA3 GLY 82 1HA GLY 82 12.913 0.814 2.211 607 H ASN 83 H ASN 83 12.096 1.691 5.000 608 HA ASN 83 HA ASN 83 14.544 1.784 6.257 609 HB2 ASN 83 2HB ASN 83 12.892 3.330 6.898 610 HB3 ASN 83 1HB ASN 83 11.752 2.061 7.320 611 HD21 ASN 83 1HD2 ASN 83 11.845 1.111 9.387 612 HD22 ASN 83 2HD2 ASN 83 12.896 1.723 10.605 613 H GLU 84 H GLU 84 12.220 -0.840 6.380 614 HA GLU 84 HA GLU 84 12.923 -1.765 8.919 615 HB2 GLU 84 2HB GLU 84 11.695 -3.367 6.684 616 HB3 GLU 84 1HB GLU 84 11.671 -3.771 8.394 617 HG2 GLU 84 2HG GLU 84 10.264 -1.487 7.027 618 HG3 GLU 84 1HG GLU 84 9.544 -2.870 7.849 619 H GLU 85 H GLU 85 14.032 -2.855 5.709 620 HA GLU 85 HA GLU 85 16.611 -3.513 6.526 621 HB2 GLU 85 2HB GLU 85 15.070 -5.364 7.594 622 HB3 GLU 85 1HB GLU 85 14.943 -5.947 5.947 623 HG2 GLU 85 2HG GLU 85 17.559 -5.494 7.292 624 HG3 GLU 85 1HG GLU 85 16.674 -7.004 7.457 625 H GLN 86 H GLN 86 17.775 -4.317 4.545 626 HA GLN 86 HA GLN 86 16.708 -2.950 2.284 627 HB2 GLN 86 2HB GLN 86 19.267 -4.360 2.925 628 HB3 GLN 86 1HB GLN 86 18.949 -3.616 1.378 629 HG2 GLN 86 2HG GLN 86 18.782 -1.423 2.442 630 HG3 GLN 86 1HG GLN 86 18.962 -2.166 4.026 631 HE21 GLN 86 1HE2 GLN 86 21.022 -4.007 3.251 632 HE22 GLN 86 2HE2 GLN 86 22.457 -3.101 2.981 633 H LEU 87 H LEU 87 17.619 -6.190 3.191 634 HA LEU 87 HA LEU 87 17.256 -7.259 0.546 635 HB2 LEU 87 2HB LEU 87 17.882 -8.594 3.149 636 HB3 LEU 87 1HB LEU 87 18.015 -9.318 1.551 637 HG LEU 87 HG LEU 87 19.512 -6.861 2.294 638 HD11 LEU 87 1HD1 LEU 87 21.450 -8.364 2.737 639 HD12 LEU 87 2HD1 LEU 87 20.337 -9.740 2.634 640 HD13 LEU 87 3HD1 LEU 87 20.131 -8.516 3.893 641 HD21 LEU 87 3HD2 LEU 87 21.003 -7.595 0.477 642 HD22 LEU 87 1HD2 LEU 87 19.349 -7.314 -0.064 643 HD23 LEU 87 2HD2 LEU 87 19.928 -8.964 0.175 644 H TYR 88 H TYR 88 15.647 -7.031 3.524 645 HA TYR 88 HA TYR 88 13.689 -8.932 3.391 646 HB2 TYR 88 2HB TYR 88 13.986 -7.581 5.328 647 HB3 TYR 88 1HB TYR 88 13.565 -6.118 4.435 648 HD1 TYR 88 2HD TYR 88 12.039 -9.476 4.971 649 HD2 TYR 88 1HD TYR 88 11.555 -5.261 5.030 650 HE1 TYR 88 2HE TYR 88 9.710 -9.779 5.651 651 HE2 TYR 88 1HE TYR 88 9.215 -5.546 5.734 652 HH TYR 88 HH TYR 88 8.044 -8.376 6.944 653 H ILE 89 H ILE 89 13.772 -5.818 1.746 654 HA ILE 89 HA ILE 89 11.132 -5.871 0.703 655 HB ILE 89 HB ILE 89 13.655 -4.597 -0.346 656 HG12 ILE 89 2HG1 ILE 89 11.760 -2.677 0.516 657 HG13 ILE 89 1HG1 ILE 89 11.912 -3.904 1.776 658 HG21 ILE 89 1HG2 ILE 89 12.193 -3.137 -1.747 659 HG22 ILE 89 2HG2 ILE 89 10.796 -4.089 -1.243 660 HG23 ILE 89 3HG2 ILE 89 12.067 -4.836 -2.211 661 HD11 ILE 89 3HD1 ILE 89 14.337 -3.611 1.675 662 HD12 ILE 89 1HD1 ILE 89 13.492 -2.142 2.148 663 HD13 ILE 89 2HD1 ILE 89 14.100 -2.323 0.504 664 H ASP 90 H ASP 90 14.154 -7.157 -0.342 665 HA ASP 90 HA ASP 90 13.383 -8.067 -2.902 666 HB2 ASP 90 2HB ASP 90 15.688 -7.632 -2.054 667 HB3 ASP 90 1HB ASP 90 15.552 -9.083 -1.099 668 H THR 91 H THR 91 12.819 -9.156 0.194 669 HA THR 91 HA THR 91 12.397 -11.980 -0.378 670 HB THR 91 HB THR 91 12.058 -10.288 2.101 671 HG1 THR 91 1HG THR 91 14.263 -10.959 1.067 672 HG21 THR 91 3HG2 THR 91 10.612 -12.128 2.131 673 HG22 THR 91 1HG2 THR 91 11.870 -12.407 3.332 674 HG23 THR 91 2HG2 THR 91 11.910 -13.288 1.781 675 H LEU 92 H LEU 92 10.553 -9.129 0.617 676 HA LEU 92 HA LEU 92 8.039 -10.076 0.616 677 HB2 LEU 92 2HB LEU 92 9.016 -7.420 -0.328 678 HB3 LEU 92 1HB LEU 92 7.332 -7.819 -0.557 679 HG LEU 92 HG LEU 92 7.443 -6.533 1.400 680 HD11 LEU 92 1HD1 LEU 92 7.399 -9.340 2.255 681 HD12 LEU 92 2HD1 LEU 92 6.020 -8.480 1.542 682 HD13 LEU 92 3HD1 LEU 92 6.674 -7.989 3.121 683 HD21 LEU 92 3HD2 LEU 92 9.790 -6.660 1.867 684 HD22 LEU 92 1HD2 LEU 92 9.621 -8.349 2.341 685 HD23 LEU 92 2HD2 LEU 92 8.850 -7.091 3.296 686 H ARG 93 H ARG 93 9.712 -9.054 -2.348 687 HA ARG 93 HA ARG 93 7.394 -9.723 -3.899 688 HB2 ARG 93 2HB ARG 93 8.750 -9.751 -5.913 689 HB3 ARG 93 1HB ARG 93 8.653 -8.179 -5.092 690 HG2 ARG 93 2HG ARG 93 10.973 -10.013 -4.711 691 HG3 ARG 93 1HG ARG 93 10.867 -9.086 -6.217 692 HD2 ARG 93 2HD ARG 93 10.643 -7.044 -4.795 693 HD3 ARG 93 1HD ARG 93 10.995 -8.054 -3.394 694 HE ARG 93 HE ARG 93 13.099 -8.615 -4.814 695 HH11 ARG 93 1HH1 ARG 93 11.557 -5.449 -4.677 696 HH12 ARG 93 2HH1 ARG 93 13.021 -4.576 -4.793 697 HH21 ARG 93 1HH2 ARG 93 15.101 -7.426 -4.797 698 HH22 ARG 93 2HH2 ARG 93 15.091 -5.716 -4.808 699 H GLU 94 H GLU 94 9.564 -11.639 -2.629 700 HA GLU 94 HA GLU 94 9.327 -13.845 -4.503 701 HB2 GLU 94 2HB GLU 94 10.152 -13.920 -1.600 702 HB3 GLU 94 1HB GLU 94 10.280 -15.259 -2.728 703 HG2 GLU 94 2HG GLU 94 11.808 -13.860 -4.086 704 HG3 GLU 94 1HG GLU 94 11.722 -12.659 -2.798 705 H ALA 95 H ALA 95 8.042 -13.081 -1.347 706 HA ALA 95 HA ALA 95 6.262 -15.324 -1.338 707 HB1 ALA 95 1HB ALA 95 7.215 -14.420 0.754 708 HB2 ALA 95 2HB ALA 95 5.459 -14.549 0.795 709 HB3 ALA 95 3HB ALA 95 6.221 -12.977 0.544 710 H LEU 96 H LEU 96 6.072 -12.228 -2.355 711 HA LEU 96 HA LEU 96 3.141 -12.221 -2.626 712 HB2 LEU 96 2HB LEU 96 5.178 -10.126 -3.388 713 HB3 LEU 96 1HB LEU 96 3.446 -9.944 -3.566 714 HG LEU 96 HG LEU 96 4.884 -10.270 -0.930 715 HD11 LEU 96 1HD1 LEU 96 5.434 -8.159 -2.002 716 HD12 LEU 96 2HD1 LEU 96 4.393 -7.901 -0.605 717 HD13 LEU 96 3HD1 LEU 96 3.720 -7.819 -2.235 718 HD21 LEU 96 3HD2 LEU 96 2.737 -9.606 0.046 719 HD22 LEU 96 1HD2 LEU 96 2.573 -11.098 -0.881 720 HD23 LEU 96 2HD2 LEU 96 2.014 -9.570 -1.559 721 HA PRO 97 HA PRO 97 3.574 -13.927 -6.718 722 HB2 PRO 97 2HB PRO 97 0.997 -13.660 -7.478 723 HB3 PRO 97 1HB PRO 97 1.515 -14.908 -6.331 724 HG2 PRO 97 2HG PRO 97 0.279 -12.237 -5.789 725 HG3 PRO 97 1HG PRO 97 -0.138 -13.815 -5.093 726 HD2 PRO 97 2HD PRO 97 1.406 -12.046 -3.780 727 HD3 PRO 97 1HD PRO 97 1.682 -13.798 -3.658 728 H ALA 98 H ALA 98 3.109 -13.169 -8.947 729 HA ALA 98 HA ALA 98 3.991 -10.500 -9.295 730 HB1 ALA 98 1HB ALA 98 2.792 -12.363 -11.349 731 HB2 ALA 98 2HB ALA 98 4.496 -12.298 -10.893 732 HB3 ALA 98 3HB ALA 98 3.741 -10.915 -11.688 733 H HIS 99 H HIS 99 0.943 -11.829 -8.865 734 HA HIS 99 HA HIS 99 -0.786 -10.000 -10.169 735 HB2 HIS 99 2HB HIS 99 -1.262 -11.523 -7.597 736 HB3 HIS 99 1HB HIS 99 -2.520 -10.820 -8.617 737 HD1 HIS 99 1HD HIS 99 -1.677 -13.990 -7.743 738 HD2 HIS 99 2HD HIS 99 -1.590 -12.002 -11.344 739 HE1 HIS 99 1HE HIS 99 -1.707 -15.796 -9.477 740 H VAL 100 H VAL 100 1.048 -9.852 -7.145 741 HA VAL 100 HA VAL 100 -0.163 -7.339 -6.484 742 HB VAL 100 HB VAL 100 1.468 -9.343 -4.918 743 HG11 VAL 100 1HG1 VAL 100 1.929 -7.134 -4.286 744 HG12 VAL 100 2HG1 VAL 100 1.006 -7.943 -2.992 745 HG13 VAL 100 3HG1 VAL 100 0.215 -6.763 -4.077 746 HG21 VAL 100 3HG2 VAL 100 -1.437 -8.587 -4.668 747 HG22 VAL 100 1HG2 VAL 100 -0.574 -9.714 -3.620 748 HG23 VAL 100 2HG2 VAL 100 -0.816 -10.101 -5.326 749 H ALA 101 H ALA 101 1.181 -5.634 -6.574 750 HA ALA 101 HA ALA 101 3.933 -6.144 -7.416 751 HB1 ALA 101 1HB ALA 101 2.157 -3.768 -7.941 752 HB2 ALA 101 2HB ALA 101 2.603 -5.018 -9.105 753 HB3 ALA 101 3HB ALA 101 3.833 -3.931 -8.461 754 H ILE 102 H ILE 102 5.307 -4.179 -6.827 755 HA ILE 102 HA ILE 102 4.750 -3.423 -4.083 756 HB ILE 102 HB ILE 102 7.313 -4.364 -5.348 757 HG12 ILE 102 2HG1 ILE 102 5.895 -5.277 -2.821 758 HG13 ILE 102 1HG1 ILE 102 5.952 -6.156 -4.342 759 HG21 ILE 102 1HG2 ILE 102 8.455 -3.647 -3.209 760 HG22 ILE 102 2HG2 ILE 102 6.947 -2.690 -2.922 761 HG23 ILE 102 3HG2 ILE 102 7.883 -2.443 -4.382 762 HD11 ILE 102 3HD1 ILE 102 8.286 -5.565 -2.523 763 HD12 ILE 102 1HD1 ILE 102 8.408 -6.361 -4.086 764 HD13 ILE 102 2HD1 ILE 102 7.537 -7.139 -2.780 765 H TRP 103 H TRP 103 5.043 -1.311 -3.746 766 HA TRP 103 HA TRP 103 6.519 0.130 -5.843 767 HB2 TRP 103 2HB TRP 103 4.207 1.332 -4.284 768 HB3 TRP 103 1HB TRP 103 5.167 2.134 -5.505 769 HD1 TRP 103 HD TRP 103 4.713 -0.733 -7.402 770 HE1 TRP 103 1HE TRP 103 2.491 -0.753 -8.744 771 HE3 TRP 103 3HE TRP 103 2.263 2.751 -4.813 772 HZ2 TRP 103 2HZ TRP 103 0.012 0.579 -8.654 773 HZ3 TRP 103 3HZ TRP 103 -0.048 3.417 -5.483 774 HH2 TRP 103 HH TRP 103 -1.126 2.342 -7.378 775 H LYS 104 H LYS 104 7.635 2.036 -4.998 776 HA LYS 104 HA LYS 104 8.273 1.604 -2.181 777 HB2 LYS 104 2HB LYS 104 9.950 1.202 -4.343 778 HB3 LYS 104 1HB LYS 104 10.375 2.815 -3.812 779 HG2 LYS 104 2HG LYS 104 10.339 0.393 -2.006 780 HG3 LYS 104 1HG LYS 104 11.768 1.010 -2.820 781 HD2 LYS 104 2HD LYS 104 10.110 2.629 -0.878 782 HD3 LYS 104 1HD LYS 104 11.535 1.701 -0.409 783 HE2 LYS 104 2HE LYS 104 12.893 3.017 -1.966 784 HE3 LYS 104 1HE LYS 104 11.475 3.944 -2.434 785 HZ1 LYS 104 3HZ LYS 104 12.694 3.914 0.293 786 HZ2 LYS 104 1HZ LYS 104 11.306 4.765 -0.171 787 HZ3 LYS 104 2HZ LYS 104 12.763 5.149 -0.868 788 H ALA 105 H ALA 105 8.036 3.270 -0.992 789 HA ALA 105 HA ALA 105 7.148 5.795 -1.989 790 HB1 ALA 105 1HB ALA 105 7.168 6.455 0.370 791 HB2 ALA 105 2HB ALA 105 8.038 4.978 0.767 792 HB3 ALA 105 3HB ALA 105 6.376 4.890 0.168 793 H LEU 106 H LEU 106 8.588 6.938 -3.065 794 HA LEU 106 HA LEU 106 11.407 6.764 -2.713 795 HB2 LEU 106 2HB LEU 106 10.155 7.191 -4.852 796 HB3 LEU 106 1HB LEU 106 9.790 8.792 -4.250 797 HG LEU 106 HG LEU 106 12.316 9.119 -4.080 798 HD11 LEU 106 1HD1 LEU 106 12.238 6.701 -5.857 799 HD12 LEU 106 2HD1 LEU 106 12.991 6.807 -4.261 800 HD13 LEU 106 3HD1 LEU 106 13.641 7.737 -5.616 801 HD21 LEU 106 3HD2 LEU 106 11.043 8.785 -6.797 802 HD22 LEU 106 1HD2 LEU 106 12.490 9.726 -6.449 803 HD23 LEU 106 2HD2 LEU 106 10.940 10.217 -5.772 804 H SER 107 H SER 107 12.413 7.748 -1.131 805 HA SER 107 HA SER 107 11.420 9.754 0.548 806 HB2 SER 107 2HB SER 107 14.318 9.221 -0.126 807 HB3 SER 107 1HB SER 107 13.702 9.972 1.342 808 HG SER 107 HG SER 107 13.881 7.348 0.614 809 H VAL 108 H VAL 108 10.753 11.607 -0.150 810 HA VAL 108 HA VAL 108 11.714 12.854 -2.517 811 HB VAL 108 HB VAL 108 10.038 14.604 -2.075 812 HG11 VAL 108 1HG1 VAL 108 9.462 12.585 -3.323 813 HG12 VAL 108 2HG1 VAL 108 8.103 13.202 -2.389 814 HG13 VAL 108 3HG1 VAL 108 8.997 11.790 -1.815 815 HG21 VAL 108 3HG2 VAL 108 8.441 14.314 -0.229 816 HG22 VAL 108 1HG2 VAL 108 10.077 14.598 0.367 817 HG23 VAL 108 2HG2 VAL 108 9.401 12.969 0.388 818 H GLY 109 H GLY 109 12.601 14.821 -2.805 819 HA2 GLY 109 2HA GLY 109 13.339 16.928 -2.288 820 HA3 GLY 109 1HA GLY 109 12.959 16.594 -0.622 821 H GLU 110 H GLU 110 14.437 15.247 0.513 822 HA GLU 110 HA GLU 110 17.010 16.559 0.165 823 HB2 GLU 110 2HB GLU 110 15.925 15.048 2.510 824 HB3 GLU 110 1HB GLU 110 17.364 16.064 2.496 825 HG2 GLU 110 2HG GLU 110 16.015 18.012 2.033 826 HG3 GLU 110 1HG GLU 110 14.574 17.008 1.919 827 H THR 111 H THR 111 16.264 13.335 1.521 828 HA THR 111 HA THR 111 18.868 12.543 0.563 829 HB THR 111 HB THR 111 16.980 11.053 2.412 830 HG1 THR 111 1HG THR 111 17.702 12.972 3.379 831 HG21 THR 111 3HG2 THR 111 18.965 9.723 2.986 832 HG22 THR 111 1HG2 THR 111 19.934 10.658 1.843 833 HG23 THR 111 2HG2 THR 111 18.645 9.614 1.257 834 H LEU 112 H LEU 112 18.459 12.374 -1.611 835 HA LEU 112 HA LEU 112 16.819 10.085 -2.386 836 HB2 LEU 112 2HB LEU 112 15.920 12.223 -3.181 837 HB3 LEU 112 1HB LEU 112 17.451 12.585 -3.952 838 HG LEU 112 HG LEU 112 17.127 10.683 -5.475 839 HD11 LEU 112 1HD1 LEU 112 15.787 9.280 -4.023 840 HD12 LEU 112 2HD1 LEU 112 14.965 9.558 -5.564 841 HD13 LEU 112 3HD1 LEU 112 14.457 10.432 -4.116 842 HD21 LEU 112 3HD2 LEU 112 15.321 11.669 -6.793 843 HD22 LEU 112 1HD2 LEU 112 16.383 12.912 -6.129 844 HD23 LEU 112 2HD2 LEU 112 14.809 12.606 -5.391 845 HA PRO 113 HA PRO 113 20.991 8.838 -3.719 846 HB2 PRO 113 2HB PRO 113 20.226 6.124 -3.247 847 HB3 PRO 113 1HB PRO 113 21.318 7.108 -2.276 848 HG2 PRO 113 2HG PRO 113 18.834 6.202 -1.449 849 HG3 PRO 113 1HG PRO 113 19.714 7.557 -0.731 850 HD2 PRO 113 2HD PRO 113 17.454 7.587 -2.684 851 HD3 PRO 113 1HD PRO 113 17.825 8.694 -1.340 852 H ALA 114 H ALA 114 21.665 7.416 -5.492 853 HA ALA 114 HA ALA 114 20.228 7.593 -7.855 854 HB1 ALA 114 1HB ALA 114 22.638 7.111 -7.692 855 HB2 ALA 114 2HB ALA 114 21.801 6.011 -8.786 856 HB3 ALA 114 3HB ALA 114 22.255 5.473 -7.170 857 H ARG 115 H ARG 115 20.252 4.995 -5.539 858 HA ARG 115 HA ARG 115 17.689 4.096 -6.597 859 HB2 ARG 115 2HB ARG 115 18.280 1.736 -6.185 860 HB3 ARG 115 1HB ARG 115 19.352 2.414 -7.399 861 HG2 ARG 115 2HG ARG 115 21.182 2.361 -6.021 862 HG3 ARG 115 1HG ARG 115 20.213 2.479 -4.557 863 HD2 ARG 115 2HD ARG 115 21.261 0.290 -4.762 864 HD3 ARG 115 1HD ARG 115 19.515 0.167 -4.823 865 HE ARG 115 HE ARG 115 19.812 -0.009 -7.301 866 HH11 ARG 115 1HH1 ARG 115 22.502 -0.937 -5.166 867 HH12 ARG 115 2HH1 ARG 115 23.001 -2.224 -6.158 868 HH21 ARG 115 1HH2 ARG 115 20.495 -1.783 -8.622 869 HH22 ARG 115 2HH2 ARG 115 21.823 -2.743 -8.151 870 H GLU 116 H GLU 116 16.417 3.268 -4.893 871 HA GLU 116 HA GLU 116 17.684 3.507 -2.264 872 HB2 GLU 116 2HB GLU 116 14.730 3.708 -2.936 873 HB3 GLU 116 1HB GLU 116 15.370 3.652 -1.303 874 HG2 GLU 116 2HG GLU 116 16.662 5.757 -1.939 875 HG3 GLU 116 1HG GLU 116 15.573 5.846 -3.331 876 H PHE 117 H PHE 117 14.919 1.919 -3.701 877 HA PHE 117 HA PHE 117 16.124 -0.662 -3.365 878 HB2 PHE 117 2HB PHE 117 13.411 0.039 -2.161 879 HB3 PHE 117 1HB PHE 117 14.057 -1.594 -2.304 880 HD1 PHE 117 1HD PHE 117 16.296 -2.052 -1.179 881 HD2 PHE 117 2HD PHE 117 13.845 1.294 -0.258 882 HE1 PHE 117 1HE PHE 117 17.497 -1.762 0.920 883 HE2 PHE 117 2HE PHE 117 15.036 1.583 1.876 884 HZ PHE 117 HZ PHE 117 16.869 0.059 2.469 885 H GLN 118 H GLN 118 15.740 -1.730 -5.148 886 HA GLN 118 HA GLN 118 13.751 -0.555 -6.925 887 HB2 GLN 118 2HB GLN 118 15.221 -1.359 -8.828 888 HB3 GLN 118 1HB GLN 118 15.839 -0.025 -7.873 889 HG2 GLN 118 2HG GLN 118 17.299 -1.554 -6.676 890 HG3 GLN 118 1HG GLN 118 16.654 -2.898 -7.618 891 HE21 GLN 118 1HE2 GLN 118 17.290 -3.157 -9.747 892 HE22 GLN 118 2HE2 GLN 118 18.574 -2.241 -10.433 893 H HIS 119 H HIS 119 13.749 -2.411 -8.947 894 HA HIS 119 HA HIS 119 12.670 -4.199 -9.629 895 HB2 HIS 119 2HB HIS 119 13.572 -5.395 -6.989 896 HB3 HIS 119 1HB HIS 119 12.628 -6.313 -8.157 897 HD1 HIS 119 1HD HIS 119 13.926 -7.357 -10.108 898 HD2 HIS 119 2HD HIS 119 16.172 -4.703 -7.851 899 HE1 HIS 119 1HE HIS 119 16.278 -7.530 -10.972 900 H VAL 120 H VAL 120 11.567 -2.076 -8.301 901 HA VAL 120 HA VAL 120 9.117 -3.162 -7.159 902 HB VAL 120 HB VAL 120 8.648 -0.870 -6.377 903 HG11 VAL 120 1HG1 VAL 120 11.428 -1.779 -5.646 904 HG12 VAL 120 2HG1 VAL 120 9.934 -2.361 -4.928 905 HG13 VAL 120 3HG1 VAL 120 10.432 -0.685 -4.689 906 HG21 VAL 120 3HG2 VAL 120 11.326 -0.142 -7.596 907 HG22 VAL 120 1HG2 VAL 120 10.337 0.924 -6.597 908 HG23 VAL 120 2HG2 VAL 120 9.748 0.393 -8.172 909 H ASP 121 H ASP 121 7.174 -2.234 -7.966 910 HA ASP 121 HA ASP 121 7.206 -2.313 -10.883 911 HB2 ASP 121 2HB ASP 121 5.396 -3.431 -9.791 912 HB3 ASP 121 1HB ASP 121 4.932 -1.981 -8.916 913 H LYS 122 H LYS 122 6.627 0.063 -8.436 914 HA LYS 122 HA LYS 122 6.749 2.232 -10.325 915 HB2 LYS 122 2HB LYS 122 4.380 1.357 -10.336 916 HB3 LYS 122 1HB LYS 122 4.293 1.733 -8.630 917 HG2 LYS 122 2HG LYS 122 4.603 4.112 -9.179 918 HG3 LYS 122 1HG LYS 122 4.596 3.670 -10.890 919 HD2 LYS 122 2HD LYS 122 2.322 3.010 -9.024 920 HD3 LYS 122 1HD LYS 122 2.394 4.494 -9.962 921 HE2 LYS 122 2HE LYS 122 1.015 2.990 -11.187 922 HE3 LYS 122 1HE LYS 122 2.569 3.054 -12.018 923 HZ1 LYS 122 3HZ LYS 122 1.565 0.807 -10.300 924 HZ2 LYS 122 1HZ LYS 122 3.058 0.785 -11.079 925 HZ3 LYS 122 2HZ LYS 122 1.674 0.845 -11.957 926 H TYR 123 H TYR 123 6.706 4.245 -9.025 927 HA TYR 123 HA TYR 123 7.343 3.772 -6.237 928 HB2 TYR 123 2HB TYR 123 9.209 5.312 -6.290 929 HB3 TYR 123 1HB TYR 123 9.468 4.109 -7.545 930 HD1 TYR 123 2HD TYR 123 9.086 4.731 -9.920 931 HD2 TYR 123 1HD TYR 123 8.964 7.560 -6.773 932 HE1 TYR 123 2HE TYR 123 9.303 6.521 -11.540 933 HE2 TYR 123 1HE TYR 123 9.181 9.356 -8.327 934 HH TYR 123 HH TYR 123 8.793 8.918 -11.711 935 H VAL 124 H VAL 124 6.786 5.443 -4.898 936 HA VAL 124 HA VAL 124 5.117 7.533 -6.064 937 HB VAL 124 HB VAL 124 3.526 7.311 -4.134 938 HG11 VAL 124 1HG1 VAL 124 2.905 6.303 -6.257 939 HG12 VAL 124 2HG1 VAL 124 2.315 5.311 -4.929 940 HG13 VAL 124 3HG1 VAL 124 3.747 4.818 -5.824 941 HG21 VAL 124 3HG2 VAL 124 5.015 4.739 -3.569 942 HG22 VAL 124 1HG2 VAL 124 3.512 5.242 -2.793 943 HG23 VAL 124 2HG2 VAL 124 4.988 6.175 -2.546 944 H LEU 125 H LEU 125 4.728 9.191 -4.155 945 HA LEU 125 HA LEU 125 7.388 9.832 -3.313 946 HB2 LEU 125 2HB LEU 125 6.580 11.981 -2.688 947 HB3 LEU 125 1HB LEU 125 5.786 11.559 -4.173 948 HG LEU 125 HG LEU 125 4.168 12.665 -3.007 949 HD11 LEU 125 1HD1 LEU 125 3.573 9.839 -2.283 950 HD12 LEU 125 2HD1 LEU 125 3.169 10.676 -3.780 951 HD13 LEU 125 3HD1 LEU 125 2.421 11.175 -2.262 952 HD21 LEU 125 3HD2 LEU 125 5.302 12.961 -0.907 953 HD22 LEU 125 1HD2 LEU 125 4.976 11.289 -0.459 954 HD23 LEU 125 2HD2 LEU 125 3.644 12.440 -0.617 955 H ASP 126 H ASP 126 8.132 10.145 -1.168 956 HA ASP 126 HA ASP 126 7.229 8.275 0.719 957 HB2 ASP 126 2HB ASP 126 9.540 8.995 0.712 958 HB3 ASP 126 1HB ASP 126 9.070 10.649 1.098 959 H ASN 127 H ASN 127 5.035 8.637 1.072 960 HA ASN 127 HA ASN 127 4.250 11.103 2.322 961 HB2 ASN 127 2HB ASN 127 3.117 10.235 0.290 962 HB3 ASN 127 1HB ASN 127 2.638 8.824 1.227 963 HD21 ASN 127 1HD2 ASN 127 2.366 12.221 0.885 964 HD22 ASN 127 2HD2 ASN 127 0.912 12.359 1.790 965 H GLY 128 H GLY 128 4.071 11.069 4.466 966 HA2 GLY 128 2HA GLY 128 3.581 8.507 5.799 967 HA3 GLY 128 1HA GLY 128 4.358 9.905 6.538 968 H GLN 129 H GLN 129 1.316 8.714 5.252 969 HA GLN 129 HA GLN 129 -0.227 10.883 6.277 970 HB2 GLN 129 2HB GLN 129 -1.017 9.519 4.366 971 HB3 GLN 129 1HB GLN 129 -1.115 8.112 5.415 972 HG2 GLN 129 2HG GLN 129 -2.813 9.266 6.770 973 HG3 GLN 129 1HG GLN 129 -2.741 10.638 5.673 974 HE21 GLN 129 1HE2 GLN 129 -3.598 10.421 3.625 975 HE22 GLN 129 2HE2 GLN 129 -4.722 9.158 3.230 976 H GLY 130 H GLY 130 -1.464 10.949 8.132 977 HA2 GLY 130 2HA GLY 130 -2.452 9.345 9.839 978 HA3 GLY 130 1HA GLY 130 -0.766 8.971 10.169 979 H GLY 131 H GLY 131 0.620 10.908 10.601 980 HA2 GLY 131 2HA GLY 131 -0.660 12.411 12.709 981 HA3 GLY 131 1HA GLY 131 1.046 12.429 12.281 982 H ALA 132 H ALA 132 1.458 13.418 10.059 983 HA ALA 132 HA ALA 132 -0.321 15.551 9.304 984 HB1 ALA 132 1HB ALA 132 1.332 17.337 9.723 985 HB2 ALA 132 2HB ALA 132 2.382 16.167 10.519 986 HB3 ALA 132 3HB ALA 132 0.816 16.562 11.222 987 H GLY 133 H GLY 133 -0.027 15.971 7.163 988 HA2 GLY 133 2HA GLY 133 2.015 14.505 5.752 989 HA3 GLY 133 1HA GLY 133 0.781 15.543 5.036 990 H SER 134 H SER 134 1.105 17.927 5.959 991 HA SER 134 HA SER 134 3.877 18.684 6.126 992 HB2 SER 134 2HB SER 134 2.033 19.738 3.952 993 HB3 SER 134 1HB SER 134 3.651 20.349 4.296 994 HG SER 134 HG SER 134 4.250 18.020 3.950 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -2.298 11.894 -14.633 2 H2 MET 1 2HT MET 1 -3.621 10.855 -14.965 3 H3 MET 1 3HT MET 1 -2.803 10.715 -13.541 4 HA MET 1 HA MET 1 -3.537 12.766 -12.714 5 HB2 MET 1 2HB MET 1 -5.082 14.200 -13.941 6 HB3 MET 1 1HB MET 1 -3.646 13.971 -14.914 7 HG2 MET 1 2HG MET 1 -4.832 12.339 -16.293 8 HG3 MET 1 1HG MET 1 -6.269 12.531 -15.296 9 HE1 MET 1 2HE MET 1 -3.766 15.380 -16.511 10 HE2 MET 1 3HE MET 1 -4.546 15.854 -18.019 11 HE3 MET 1 1HE MET 1 -3.845 14.246 -17.865 12 H GLY 2 H GLY 2 -5.798 13.037 -11.834 13 HA2 GLY 2 2HA GLY 2 -8.046 11.859 -12.347 14 HA3 GLY 2 1HA GLY 2 -7.105 10.435 -11.928 15 H GLU 3 H GLU 3 -6.433 10.141 -9.836 16 HA GLU 3 HA GLU 3 -6.773 9.930 -7.714 17 HB2 GLU 3 2HB GLU 3 -7.244 12.909 -7.711 18 HB3 GLU 3 1HB GLU 3 -7.256 11.945 -6.239 19 HG2 GLU 3 2HG GLU 3 -4.938 11.178 -6.858 20 HG3 GLU 3 1HG GLU 3 -4.961 12.403 -8.122 21 H ASN 4 H ASN 4 -8.099 8.751 -7.024 22 HA ASN 4 HA ASN 4 -10.836 9.409 -6.498 23 HB2 ASN 4 2HB ASN 4 -11.697 7.249 -7.608 24 HB3 ASN 4 1HB ASN 4 -11.162 8.435 -8.758 25 HD21 ASN 4 1HD2 ASN 4 -8.422 7.956 -8.678 26 HD22 ASN 4 2HD2 ASN 4 -8.051 6.412 -9.303 27 H LYS 5 H LYS 5 -8.674 9.304 -5.050 28 HA LYS 5 HA LYS 5 -7.899 6.821 -3.996 29 HB2 LYS 5 2HB LYS 5 -7.526 9.629 -2.980 30 HB3 LYS 5 1HB LYS 5 -6.827 8.213 -2.222 31 HG2 LYS 5 2HG LYS 5 -5.482 7.770 -4.167 32 HG3 LYS 5 1HG LYS 5 -6.302 9.058 -5.056 33 HD2 LYS 5 2HD LYS 5 -5.408 10.723 -3.570 34 HD3 LYS 5 1HD LYS 5 -4.685 9.479 -2.552 35 HE2 LYS 5 2HE LYS 5 -3.142 8.868 -4.265 36 HE3 LYS 5 1HE LYS 5 -3.986 9.854 -5.459 37 HZ1 LYS 5 3HZ LYS 5 -2.695 10.980 -3.040 38 HZ2 LYS 5 1HZ LYS 5 -3.356 11.808 -4.341 39 HZ3 LYS 5 2HZ LYS 5 -1.929 10.923 -4.545 40 H VAL 6 H VAL 6 -9.351 5.616 -2.986 41 HA VAL 6 HA VAL 6 -11.138 6.773 -1.083 42 HB VAL 6 HB VAL 6 -10.510 3.891 -1.644 43 HG11 VAL 6 1HG1 VAL 6 -12.665 3.410 -0.510 44 HG12 VAL 6 2HG1 VAL 6 -12.827 5.127 -0.136 45 HG13 VAL 6 3HG1 VAL 6 -11.509 4.194 0.568 46 HG21 VAL 6 3HG2 VAL 6 -11.430 4.941 -3.615 47 HG22 VAL 6 1HG2 VAL 6 -12.763 5.601 -2.667 48 HG23 VAL 6 2HG2 VAL 6 -12.628 3.860 -2.901 49 H CYS 7 H CYS 7 -10.039 7.592 0.510 50 HA CYS 7 HA CYS 7 -8.196 5.970 2.146 51 HB2 CYS 7 2HB CYS 7 -9.171 8.850 2.384 52 HB3 CYS 7 1HB CYS 7 -7.904 8.101 3.355 53 HG CYS 7 HG CYS 7 -6.569 7.527 0.722 54 H GLY 8 H GLY 8 -8.894 6.252 4.595 55 HA2 GLY 8 2HA GLY 8 -10.904 4.568 5.118 56 HA3 GLY 8 1HA GLY 8 -10.469 5.840 6.245 57 H LEU 9 H LEU 9 -12.963 4.422 4.746 58 HA LEU 9 HA LEU 9 -14.635 6.759 4.909 59 HB2 LEU 9 2HB LEU 9 -13.707 6.653 2.611 60 HB3 LEU 9 1HB LEU 9 -14.360 5.044 2.438 61 HG LEU 9 HG LEU 9 -16.628 5.934 2.512 62 HD11 LEU 9 1HD1 LEU 9 -15.258 8.605 2.825 63 HD12 LEU 9 2HD1 LEU 9 -16.278 7.812 4.031 64 HD13 LEU 9 3HD1 LEU 9 -16.974 8.373 2.512 65 HD21 LEU 9 3HD2 LEU 9 -14.796 7.394 0.622 66 HD22 LEU 9 1HD2 LEU 9 -16.533 7.196 0.407 67 HD23 LEU 9 2HD2 LEU 9 -15.477 5.788 0.382 68 H THR 10 H THR 10 -16.938 6.050 4.863 69 HA THR 10 HA THR 10 -17.221 3.235 5.507 70 HB THR 10 HB THR 10 -16.751 4.437 7.647 71 HG1 THR 10 1HG THR 10 -18.119 2.576 7.554 72 HG21 THR 10 3HG2 THR 10 -19.371 5.851 7.096 73 HG22 THR 10 1HG2 THR 10 -17.776 6.607 7.105 74 HG23 THR 10 2HG2 THR 10 -18.450 5.950 8.597 75 H ARG 11 H ARG 11 -18.035 5.299 3.458 76 HA ARG 11 HA ARG 11 -20.951 4.940 3.610 77 HB2 ARG 11 2HB ARG 11 -19.404 6.981 2.060 78 HB3 ARG 11 1HB ARG 11 -21.149 6.909 2.215 79 HG2 ARG 11 2HG ARG 11 -20.990 7.629 4.500 80 HG3 ARG 11 1HG ARG 11 -19.220 7.522 4.450 81 HD2 ARG 11 2HD ARG 11 -19.232 9.171 2.598 82 HD3 ARG 11 1HD ARG 11 -20.968 9.343 2.804 83 HE ARG 11 HE ARG 11 -20.256 9.957 5.181 84 HH11 ARG 11 1HH1 ARG 11 -18.343 10.783 2.240 85 HH12 ARG 11 2HH1 ARG 11 -17.906 12.315 2.786 86 HH21 ARG 11 1HH2 ARG 11 -19.575 12.090 5.925 87 HH22 ARG 11 2HH2 ARG 11 -18.608 13.083 4.945 88 H GLY 12 H GLY 12 -21.322 3.234 2.283 89 HA2 GLY 12 2HA GLY 12 -19.706 2.206 0.268 90 HA3 GLY 12 1HA GLY 12 -21.447 1.975 0.439 91 H GLN 13 H GLN 13 -22.207 4.633 0.086 92 HA GLN 13 HA GLN 13 -22.469 4.723 -2.747 93 HB2 GLN 13 2HB GLN 13 -23.043 7.081 -0.945 94 HB3 GLN 13 1HB GLN 13 -23.777 6.705 -2.484 95 HG2 GLN 13 2HG GLN 13 -25.438 6.342 -0.858 96 HG3 GLN 13 1HG GLN 13 -24.876 4.732 -1.305 97 HE21 GLN 13 1HE2 GLN 13 -23.822 3.502 0.216 98 HE22 GLN 13 2HE2 GLN 13 -23.676 3.955 1.872 99 H ASP 14 H ASP 14 -20.535 6.269 -0.397 100 HA ASP 14 HA ASP 14 -19.540 8.373 -2.102 101 HB2 ASP 14 2HB ASP 14 -20.020 8.322 0.459 102 HB3 ASP 14 1HB ASP 14 -18.473 7.542 0.572 103 H ALA 15 H ALA 15 -18.759 5.210 -1.112 104 HA ALA 15 HA ALA 15 -16.003 5.209 -1.862 105 HB1 ALA 15 1HB ALA 15 -16.196 2.762 -1.520 106 HB2 ALA 15 2HB ALA 15 -17.948 2.953 -1.344 107 HB3 ALA 15 3HB ALA 15 -16.876 3.676 -0.169 108 H LYS 16 H LYS 16 -19.056 4.078 -3.299 109 HA LYS 16 HA LYS 16 -17.800 3.110 -5.636 110 HB2 LYS 16 2HB LYS 16 -20.007 2.876 -6.628 111 HB3 LYS 16 1HB LYS 16 -19.928 2.180 -5.029 112 HG2 LYS 16 2HG LYS 16 -21.055 4.289 -4.200 113 HG3 LYS 16 1HG LYS 16 -21.275 4.738 -5.891 114 HD2 LYS 16 2HD LYS 16 -22.454 2.566 -6.250 115 HD3 LYS 16 1HD LYS 16 -22.354 2.278 -4.516 116 HE2 LYS 16 2HE LYS 16 -24.531 3.129 -5.056 117 HE3 LYS 16 1HE LYS 16 -23.673 4.369 -4.162 118 HZ1 LYS 16 3HZ LYS 16 -24.078 4.247 -7.084 119 HZ2 LYS 16 1HZ LYS 16 -23.180 5.451 -6.328 120 HZ3 LYS 16 2HZ LYS 16 -24.834 5.305 -6.029 121 H ALA 17 H ALA 17 -18.778 6.215 -4.714 122 HA ALA 17 HA ALA 17 -19.009 7.509 -7.159 123 HB1 ALA 17 1HB ALA 17 -18.326 9.518 -5.975 124 HB2 ALA 17 2HB ALA 17 -17.702 8.533 -4.652 125 HB3 ALA 17 3HB ALA 17 -19.433 8.557 -4.988 126 H ALA 18 H ALA 18 -16.110 6.584 -5.354 127 HA ALA 18 HA ALA 18 -14.264 7.875 -7.095 128 HB1 ALA 18 1HB ALA 18 -13.741 7.363 -4.769 129 HB2 ALA 18 2HB ALA 18 -12.580 6.573 -5.843 130 HB3 ALA 18 3HB ALA 18 -13.891 5.645 -5.109 131 H TYR 19 H TYR 19 -15.604 4.675 -6.827 132 HA TYR 19 HA TYR 19 -14.087 3.522 -8.924 133 HB2 TYR 19 2HB TYR 19 -14.873 1.801 -7.799 134 HB3 TYR 19 1HB TYR 19 -16.208 2.695 -7.112 135 HD1 TYR 19 1HD TYR 19 -15.023 0.624 -9.875 136 HD2 TYR 19 2HD TYR 19 -18.422 2.483 -8.194 137 HE1 TYR 19 1HE TYR 19 -16.466 -0.693 -11.390 138 HE2 TYR 19 2HE TYR 19 -19.898 1.179 -9.695 139 HH TYR 19 HH TYR 19 -19.718 0.047 -11.845 140 H ASP 20 H ASP 20 -17.079 5.155 -8.741 141 HA ASP 20 HA ASP 20 -17.893 4.853 -11.431 142 HB2 ASP 20 2HB ASP 20 -19.470 5.632 -9.790 143 HB3 ASP 20 1HB ASP 20 -18.463 7.025 -9.412 144 H ALA 21 H ALA 21 -15.665 7.014 -9.862 145 HA ALA 21 HA ALA 21 -15.440 8.873 -12.009 146 HB1 ALA 21 1HB ALA 21 -13.511 8.362 -9.747 147 HB2 ALA 21 2HB ALA 21 -14.877 9.475 -9.696 148 HB3 ALA 21 3HB ALA 21 -13.532 9.778 -10.797 149 H GLY 22 H GLY 22 -13.918 5.805 -11.331 150 HA2 GLY 22 2HA GLY 22 -13.124 5.503 -13.953 151 HA3 GLY 22 1HA GLY 22 -11.740 6.107 -13.060 152 H ALA 23 H ALA 23 -12.923 4.574 -10.564 153 HA ALA 23 HA ALA 23 -12.467 2.659 -9.511 154 HB1 ALA 23 1HB ALA 23 -12.810 1.342 -12.190 155 HB2 ALA 23 2HB ALA 23 -14.141 1.808 -11.146 156 HB3 ALA 23 3HB ALA 23 -12.985 0.575 -10.607 157 H ILE 24 H ILE 24 -10.436 4.174 -10.516 158 HA ILE 24 HA ILE 24 -8.530 2.689 -11.986 159 HB ILE 24 HB ILE 24 -8.090 5.159 -10.336 160 HG12 ILE 24 2HG1 ILE 24 -9.012 5.007 -13.222 161 HG13 ILE 24 1HG1 ILE 24 -10.049 5.481 -11.881 162 HG21 ILE 24 1HG2 ILE 24 -6.313 5.613 -11.981 163 HG22 ILE 24 2HG2 ILE 24 -6.673 4.083 -12.778 164 HG23 ILE 24 3HG2 ILE 24 -6.053 4.093 -11.127 165 HD11 ILE 24 3HD1 ILE 24 -7.600 6.936 -12.864 166 HD12 ILE 24 1HD1 ILE 24 -8.569 7.406 -11.472 167 HD13 ILE 24 2HD1 ILE 24 -9.281 7.433 -13.090 168 H TYR 25 H TYR 25 -8.596 3.929 -8.716 169 HA TYR 25 HA TYR 25 -7.610 1.762 -7.332 170 HB2 TYR 25 2HB TYR 25 -5.350 1.675 -7.612 171 HB3 TYR 25 1HB TYR 25 -5.542 2.769 -8.969 172 HD1 TYR 25 1HD TYR 25 -4.591 2.377 -5.527 173 HD2 TYR 25 2HD TYR 25 -5.002 5.114 -8.723 174 HE1 TYR 25 1HE TYR 25 -3.332 3.949 -4.276 175 HE2 TYR 25 2HE TYR 25 -3.711 6.767 -7.520 176 HH TYR 25 HH TYR 25 -1.935 5.982 -4.643 177 H GLY 26 H GLY 26 -7.282 2.197 -5.145 178 HA2 GLY 26 2HA GLY 26 -8.112 4.893 -4.395 179 HA3 GLY 26 1HA GLY 26 -8.666 3.437 -3.574 180 H GLY 27 H GLY 27 -6.831 5.874 -2.927 181 HA2 GLY 27 2HA GLY 27 -4.437 4.436 -2.143 182 HA3 GLY 27 1HA GLY 27 -4.687 6.175 -2.082 183 H LEU 28 H LEU 28 -5.501 3.127 -0.531 184 HA LEU 28 HA LEU 28 -5.933 4.636 1.882 185 HB2 LEU 28 2HB LEU 28 -7.326 2.739 2.771 186 HB3 LEU 28 1HB LEU 28 -8.066 3.678 1.515 187 HG LEU 28 HG LEU 28 -8.686 1.348 1.357 188 HD11 LEU 28 1HD1 LEU 28 -8.617 2.542 -0.697 189 HD12 LEU 28 2HD1 LEU 28 -8.153 0.865 -0.962 190 HD13 LEU 28 3HD1 LEU 28 -6.923 2.124 -0.928 191 HD21 LEU 28 3HD2 LEU 28 -7.221 -0.459 1.012 192 HD22 LEU 28 1HD2 LEU 28 -6.585 0.469 2.370 193 HD23 LEU 28 2HD2 LEU 28 -5.846 0.592 0.733 194 H ILE 29 H ILE 29 -5.259 3.792 3.697 195 HA ILE 29 HA ILE 29 -2.989 1.901 3.359 196 HB ILE 29 HB ILE 29 -3.111 3.967 5.484 197 HG12 ILE 29 2HG1 ILE 29 -1.765 4.230 2.790 198 HG13 ILE 29 1HG1 ILE 29 -3.197 5.108 3.317 199 HG21 ILE 29 1HG2 ILE 29 -1.571 2.279 5.977 200 HG22 ILE 29 2HG2 ILE 29 -0.566 3.593 5.307 201 HG23 ILE 29 3HG2 ILE 29 -1.078 2.205 4.302 202 HD11 ILE 29 3HD1 ILE 29 -0.442 5.353 4.511 203 HD12 ILE 29 1HD1 ILE 29 -1.873 6.246 5.025 204 HD13 ILE 29 2HD1 ILE 29 -1.202 6.505 3.416 205 H PHE 30 H PHE 30 -2.470 0.456 5.260 206 HA PHE 30 HA PHE 30 -4.924 -0.467 6.507 207 HB2 PHE 30 2HB PHE 30 -2.159 -1.518 7.105 208 HB3 PHE 30 1HB PHE 30 -3.692 -2.332 7.317 209 HD1 PHE 30 2HD PHE 30 -4.867 -3.256 5.326 210 HD2 PHE 30 1HD PHE 30 -0.986 -1.546 5.128 211 HE1 PHE 30 2HE PHE 30 -4.477 -4.376 3.166 212 HE2 PHE 30 1HE PHE 30 -0.578 -2.642 3.009 213 HZ PHE 30 HZ PHE 30 -2.309 -4.071 2.006 214 H VAL 31 H VAL 31 -4.960 1.738 7.672 215 HA VAL 31 HA VAL 31 -3.285 1.581 10.055 216 HB VAL 31 HB VAL 31 -5.217 3.819 9.339 217 HG11 VAL 31 1HG1 VAL 31 -4.117 5.045 11.135 218 HG12 VAL 31 2HG1 VAL 31 -3.062 3.660 11.430 219 HG13 VAL 31 3HG1 VAL 31 -4.786 3.520 11.742 220 HG21 VAL 31 3HG2 VAL 31 -3.335 3.679 7.764 221 HG22 VAL 31 1HG2 VAL 31 -2.206 3.702 9.117 222 HG23 VAL 31 2HG2 VAL 31 -3.211 5.114 8.783 223 H ALA 32 H ALA 32 -3.927 0.687 11.753 224 HA ALA 32 HA ALA 32 -6.013 -0.999 11.998 225 HB1 ALA 32 1HB ALA 32 -4.035 -1.013 13.428 226 HB2 ALA 32 2HB ALA 32 -5.531 -1.158 14.351 227 HB3 ALA 32 3HB ALA 32 -4.670 0.379 14.304 228 H THR 33 H THR 33 -7.960 -0.277 11.453 229 HA THR 33 HA THR 33 -10.074 0.379 11.717 230 HB THR 33 HB THR 33 -11.031 0.438 13.981 231 HG1 THR 33 1HG THR 33 -8.388 0.858 14.693 232 HG21 THR 33 3HG2 THR 33 -10.640 -1.730 12.961 233 HG22 THR 33 1HG2 THR 33 -10.364 -1.824 14.700 234 HG23 THR 33 2HG2 THR 33 -8.992 -1.751 13.593 235 H SER 34 H SER 34 -8.034 2.486 11.337 236 HA SER 34 HA SER 34 -9.357 4.744 12.666 237 HB2 SER 34 2HB SER 34 -6.682 4.662 11.271 238 HB3 SER 34 1HB SER 34 -7.314 5.947 12.306 239 HG SER 34 HG SER 34 -6.954 3.300 13.236 240 HA PRO 35 HA PRO 35 -11.407 4.987 8.762 241 HB2 PRO 35 2HB PRO 35 -12.994 7.078 9.377 242 HB3 PRO 35 1HB PRO 35 -13.297 5.433 9.959 243 HG2 PRO 35 2HG PRO 35 -11.980 7.731 11.352 244 HG3 PRO 35 1HG PRO 35 -13.198 6.601 11.975 245 HD2 PRO 35 2HD PRO 35 -10.593 6.347 12.543 246 HD3 PRO 35 1HD PRO 35 -11.644 4.930 12.324 247 H ARG 36 H ARG 36 -8.987 6.664 9.539 248 HA ARG 36 HA ARG 36 -9.229 8.802 7.559 249 HB2 ARG 36 2HB ARG 36 -6.877 7.886 9.241 250 HB3 ARG 36 1HB ARG 36 -6.868 9.279 8.171 251 HG2 ARG 36 2HG ARG 36 -8.637 8.962 10.584 252 HG3 ARG 36 1HG ARG 36 -7.143 9.894 10.544 253 HD2 ARG 36 2HD ARG 36 -8.138 11.277 8.730 254 HD3 ARG 36 1HD ARG 36 -9.652 10.400 8.951 255 HE ARG 36 HE ARG 36 -9.194 11.244 11.406 256 HH11 ARG 36 1HH1 ARG 36 -9.124 12.963 8.324 257 HH12 ARG 36 2HH1 ARG 36 -9.392 14.499 9.009 258 HH21 ARG 36 1HH2 ARG 36 -9.577 13.356 12.350 259 HH22 ARG 36 2HH2 ARG 36 -9.652 14.725 11.336 260 H CYS 37 H CYS 37 -8.273 5.535 8.031 261 HA CYS 37 HA CYS 37 -7.559 5.303 5.234 262 HB2 CYS 37 2HB CYS 37 -5.907 4.250 7.534 263 HB3 CYS 37 1HB CYS 37 -5.645 3.846 5.844 264 HG CYS 37 HG CYS 37 -5.671 7.058 5.940 265 H VAL 38 H VAL 38 -7.421 2.611 4.860 266 HA VAL 38 HA VAL 38 -9.455 1.530 6.583 267 HB VAL 38 HB VAL 38 -9.889 2.333 3.785 268 HG11 VAL 38 1HG1 VAL 38 -9.463 -0.027 3.303 269 HG12 VAL 38 2HG1 VAL 38 -11.171 0.368 3.089 270 HG13 VAL 38 3HG1 VAL 38 -10.637 -0.494 4.533 271 HG21 VAL 38 3HG2 VAL 38 -11.810 1.195 5.782 272 HG22 VAL 38 1HG2 VAL 38 -12.192 2.219 4.413 273 HG23 VAL 38 2HG2 VAL 38 -11.301 2.865 5.813 274 H ASN 39 H ASN 39 -9.304 -0.478 6.966 275 HA ASN 39 HA ASN 39 -7.001 -1.908 5.873 276 HB2 ASN 39 2HB ASN 39 -7.246 -3.293 7.993 277 HB3 ASN 39 1HB ASN 39 -6.547 -1.703 8.184 278 HD21 ASN 39 1HD2 ASN 39 -8.991 -3.833 8.988 279 HD22 ASN 39 2HD2 ASN 39 -9.901 -2.765 10.014 280 H VAL 40 H VAL 40 -7.197 -4.264 6.028 281 HA VAL 40 HA VAL 40 -8.783 -5.047 3.951 282 HB VAL 40 HB VAL 40 -7.570 -6.714 6.170 283 HG11 VAL 40 1HG1 VAL 40 -8.510 -7.670 3.469 284 HG12 VAL 40 2HG1 VAL 40 -9.318 -7.991 5.003 285 HG13 VAL 40 3HG1 VAL 40 -7.695 -8.619 4.714 286 HG21 VAL 40 3HG2 VAL 40 -5.906 -5.494 5.025 287 HG22 VAL 40 1HG2 VAL 40 -6.606 -5.899 3.445 288 HG23 VAL 40 2HG2 VAL 40 -5.877 -7.155 4.433 289 H GLU 41 H GLU 41 -9.555 -5.086 7.345 290 HA GLU 41 HA GLU 41 -11.778 -6.689 7.278 291 HB2 GLU 41 2HB GLU 41 -10.880 -4.489 9.030 292 HB3 GLU 41 1HB GLU 41 -12.318 -5.450 9.387 293 HG2 GLU 41 2HG GLU 41 -10.835 -6.687 10.546 294 HG3 GLU 41 1HG GLU 41 -10.543 -7.399 8.985 295 H GLN 42 H GLN 42 -11.662 -3.048 7.289 296 HA GLN 42 HA GLN 42 -14.417 -2.757 6.680 297 HB2 GLN 42 2HB GLN 42 -12.054 -0.933 6.309 298 HB3 GLN 42 1HB GLN 42 -13.719 -0.457 6.019 299 HG2 GLN 42 2HG GLN 42 -14.242 -0.423 8.248 300 HG3 GLN 42 1HG GLN 42 -12.991 -1.607 8.657 301 HE21 GLN 42 1HE2 GLN 42 -11.015 -0.938 8.973 302 HE22 GLN 42 2HE2 GLN 42 -10.573 0.707 9.102 303 H ALA 43 H ALA 43 -11.483 -2.856 4.745 304 HA ALA 43 HA ALA 43 -12.654 -2.076 2.315 305 HB1 ALA 43 1HB ALA 43 -10.162 -3.711 2.747 306 HB2 ALA 43 2HB ALA 43 -10.257 -1.952 2.715 307 HB3 ALA 43 3HB ALA 43 -10.612 -2.880 1.258 308 H GLN 44 H GLN 44 -12.721 -5.082 3.973 309 HA GLN 44 HA GLN 44 -13.138 -6.874 1.864 310 HB2 GLN 44 2HB GLN 44 -12.866 -7.198 4.464 311 HB3 GLN 44 1HB GLN 44 -14.639 -7.160 4.451 312 HG2 GLN 44 2HG GLN 44 -14.329 -9.379 4.225 313 HG3 GLN 44 1HG GLN 44 -14.155 -8.966 2.521 314 HE21 GLN 44 1HE2 GLN 44 -11.506 -7.603 3.215 315 HE22 GLN 44 2HE2 GLN 44 -10.413 -8.891 3.417 316 H GLU 45 H GLU 45 -15.152 -4.591 3.522 317 HA GLU 45 HA GLU 45 -17.615 -5.440 2.287 318 HB2 GLU 45 2HB GLU 45 -16.995 -2.998 3.918 319 HB3 GLU 45 1HB GLU 45 -18.591 -3.609 3.531 320 HG2 GLU 45 2HG GLU 45 -18.128 -5.676 4.779 321 HG3 GLU 45 1HG GLU 45 -16.553 -5.035 5.229 322 H VAL 46 H VAL 46 -15.360 -2.775 2.219 323 HA VAL 46 HA VAL 46 -16.792 -1.146 0.449 324 HB VAL 46 HB VAL 46 -13.787 -1.071 0.867 325 HG11 VAL 46 1HG1 VAL 46 -14.039 1.301 0.448 326 HG12 VAL 46 2HG1 VAL 46 -15.775 1.056 0.205 327 HG13 VAL 46 3HG1 VAL 46 -14.615 0.344 -0.935 328 HG21 VAL 46 3HG2 VAL 46 -15.942 0.239 2.512 329 HG22 VAL 46 1HG2 VAL 46 -14.209 0.492 2.703 330 HG23 VAL 46 2HG2 VAL 46 -14.910 -1.091 3.038 331 H MET 47 H MET 47 -14.426 -3.704 -0.154 332 HA MET 47 HA MET 47 -13.997 -3.176 -2.901 333 HB2 MET 47 2HB MET 47 -13.054 -5.404 -3.082 334 HB3 MET 47 1HB MET 47 -12.550 -4.715 -1.551 335 HG2 MET 47 2HG MET 47 -14.325 -6.031 -0.430 336 HG3 MET 47 1HG MET 47 -14.715 -6.769 -1.975 337 HE1 MET 47 3HE MET 47 -13.036 -9.720 -0.064 338 HE2 MET 47 1HE MET 47 -14.383 -9.231 -1.099 339 HE3 MET 47 2HE MET 47 -14.185 -8.496 0.486 340 H ALA 48 H ALA 48 -16.646 -4.618 -1.251 341 HA ALA 48 HA ALA 48 -17.746 -5.822 -3.627 342 HB1 ALA 48 1HB ALA 48 -18.132 -6.864 -1.442 343 HB2 ALA 48 2HB ALA 48 -19.652 -6.383 -2.197 344 HB3 ALA 48 3HB ALA 48 -18.965 -5.408 -0.896 345 H ALA 49 H ALA 49 -17.834 -2.841 -1.957 346 HA ALA 49 HA ALA 49 -20.256 -1.888 -3.187 347 HB1 ALA 49 1HB ALA 49 -19.570 -1.132 -0.956 348 HB2 ALA 49 2HB ALA 49 -19.746 0.217 -2.076 349 HB3 ALA 49 3HB ALA 49 -18.140 -0.377 -1.652 350 H ALA 50 H ALA 50 -16.724 -1.145 -3.490 351 HA ALA 50 HA ALA 50 -17.282 -0.131 -6.115 352 HB1 ALA 50 1HB ALA 50 -15.571 1.554 -5.638 353 HB2 ALA 50 2HB ALA 50 -15.439 0.944 -3.993 354 HB3 ALA 50 3HB ALA 50 -16.937 1.701 -4.529 355 HA PRO 51 HA PRO 51 -14.135 -3.411 -6.390 356 HB2 PRO 51 2HB PRO 51 -14.550 -4.018 -8.985 357 HB3 PRO 51 1HB PRO 51 -15.626 -4.561 -7.681 358 HG2 PRO 51 2HG PRO 51 -15.977 -2.283 -9.583 359 HG3 PRO 51 1HG PRO 51 -17.157 -3.494 -9.057 360 HD2 PRO 51 2HD PRO 51 -17.002 -0.984 -8.008 361 HD3 PRO 51 1HD PRO 51 -17.607 -2.387 -7.102 362 H LEU 52 H LEU 52 -13.355 -0.834 -6.323 363 HA LEU 52 HA LEU 52 -11.715 -0.302 -8.650 364 HB2 LEU 52 2HB LEU 52 -10.834 1.537 -7.013 365 HB3 LEU 52 1HB LEU 52 -12.306 1.857 -7.848 366 HG LEU 52 HG LEU 52 -13.307 0.762 -5.622 367 HD11 LEU 52 1HD1 LEU 52 -12.073 1.436 -3.659 368 HD12 LEU 52 2HD1 LEU 52 -10.699 1.895 -4.673 369 HD13 LEU 52 3HD1 LEU 52 -11.228 0.211 -4.599 370 HD21 LEU 52 3HD2 LEU 52 -12.404 3.619 -5.936 371 HD22 LEU 52 1HD2 LEU 52 -13.488 3.032 -4.669 372 HD23 LEU 52 2HD2 LEU 52 -13.983 2.900 -6.336 373 H GLN 53 H GLN 53 -9.347 0.192 -8.144 374 HA GLN 53 HA GLN 53 -8.332 -2.218 -7.053 375 HB2 GLN 53 2HB GLN 53 -7.617 -0.405 -9.019 376 HB3 GLN 53 1HB GLN 53 -6.379 -0.212 -7.785 377 HG2 GLN 53 2HG GLN 53 -7.255 -2.801 -8.958 378 HG3 GLN 53 1HG GLN 53 -5.824 -1.895 -9.485 379 HE21 GLN 53 1HE2 GLN 53 -5.032 -0.972 -6.992 380 HE22 GLN 53 2HE2 GLN 53 -4.508 -2.275 -6.010 381 H TYR 54 H TYR 54 -7.052 -2.489 -5.225 382 HA TYR 54 HA TYR 54 -7.020 -0.233 -3.340 383 HB2 TYR 54 2HB TYR 54 -7.343 -3.194 -2.808 384 HB3 TYR 54 1HB TYR 54 -6.964 -2.030 -1.548 385 HD1 TYR 54 2HD TYR 54 -9.495 -2.727 -4.193 386 HD2 TYR 54 1HD TYR 54 -8.690 -0.965 -0.421 387 HE1 TYR 54 2HE TYR 54 -11.869 -2.200 -3.938 388 HE2 TYR 54 1HE TYR 54 -11.064 -0.424 -0.161 389 HH TYR 54 HH TYR 54 -13.448 -1.582 -2.389 390 H VAL 55 H VAL 55 -5.198 0.070 -2.033 391 HA VAL 55 HA VAL 55 -2.847 -1.486 -2.746 392 HB VAL 55 HB VAL 55 -2.935 0.715 -4.094 393 HG11 VAL 55 1HG1 VAL 55 -2.589 1.956 -1.389 394 HG12 VAL 55 2HG1 VAL 55 -3.933 2.185 -2.510 395 HG13 VAL 55 3HG1 VAL 55 -2.322 2.777 -2.923 396 HG21 VAL 55 3HG2 VAL 55 -0.576 1.316 -3.657 397 HG22 VAL 55 1HG2 VAL 55 -0.836 -0.424 -3.780 398 HG23 VAL 55 2HG2 VAL 55 -0.613 0.305 -2.204 399 H GLY 56 H GLY 56 -1.178 -1.122 -1.046 400 HA2 GLY 56 2HA GLY 56 -2.264 -0.047 1.556 401 HA3 GLY 56 1HA GLY 56 -1.576 -1.688 1.386 402 H VAL 57 H VAL 57 -0.873 0.793 2.941 403 HA VAL 57 HA VAL 57 1.972 0.670 2.204 404 HB VAL 57 HB VAL 57 0.599 2.981 3.644 405 HG11 VAL 57 1HG1 VAL 57 3.352 2.823 2.475 406 HG12 VAL 57 2HG1 VAL 57 2.919 2.800 4.181 407 HG13 VAL 57 3HG1 VAL 57 2.624 4.247 3.217 408 HG21 VAL 57 3HG2 VAL 57 0.797 4.340 1.606 409 HG22 VAL 57 1HG2 VAL 57 -0.281 2.967 1.376 410 HG23 VAL 57 2HG2 VAL 57 1.349 2.929 0.709 411 H PHE 58 H PHE 58 3.275 0.082 4.012 412 HA PHE 58 HA PHE 58 2.276 0.400 6.668 413 HB2 PHE 58 2HB PHE 58 0.955 -1.603 5.763 414 HB3 PHE 58 1HB PHE 58 2.477 -2.471 5.702 415 HD1 PHE 58 1HD PHE 58 0.432 -0.479 8.093 416 HD2 PHE 58 2HD PHE 58 3.012 -3.811 7.513 417 HE1 PHE 58 1HE PHE 58 0.091 -1.147 10.435 418 HE2 PHE 58 2HE PHE 58 2.672 -4.479 9.864 419 HZ PHE 58 HZ PHE 58 1.212 -3.145 11.319 420 H ARG 59 H ARG 59 3.845 -0.290 8.244 421 HA ARG 59 HA ARG 59 6.516 -0.546 7.153 422 HB2 ARG 59 2HB ARG 59 5.559 -0.405 10.033 423 HB3 ARG 59 1HB ARG 59 7.243 -0.529 9.550 424 HG2 ARG 59 2HG ARG 59 7.011 1.630 8.363 425 HG3 ARG 59 1HG ARG 59 5.369 1.754 9.002 426 HD2 ARG 59 2HD ARG 59 6.228 1.702 11.268 427 HD3 ARG 59 1HD ARG 59 7.868 1.492 10.660 428 HE ARG 59 HE ARG 59 6.336 3.865 9.912 429 HH11 ARG 59 1HH1 ARG 59 9.158 2.445 11.530 430 HH12 ARG 59 2HH1 ARG 59 9.851 3.938 11.921 431 HH21 ARG 59 1HH2 ARG 59 7.346 5.942 10.408 432 HH22 ARG 59 2HH2 ARG 59 8.824 5.959 11.238 433 H ASN 60 H ASN 60 6.674 -2.479 6.304 434 HA ASN 60 HA ASN 60 5.345 -4.676 7.407 435 HB2 ASN 60 2HB ASN 60 7.136 -4.424 5.002 436 HB3 ASN 60 1HB ASN 60 6.294 -5.891 5.470 437 HD21 ASN 60 1HD2 ASN 60 6.010 -4.463 3.005 438 HD22 ASN 60 2HD2 ASN 60 4.359 -3.941 2.926 439 H HIS 61 H HIS 61 6.057 -5.640 8.757 440 HA HIS 61 HA HIS 61 8.938 -6.190 9.187 441 HB2 HIS 61 2HB HIS 61 6.677 -6.848 11.105 442 HB3 HIS 61 1HB HIS 61 8.397 -6.834 11.459 443 HD1 HIS 61 1HD HIS 61 5.435 -4.857 11.913 444 HD2 HIS 61 2HD HIS 61 9.452 -4.027 11.268 445 HE1 HIS 61 1HE HIS 61 5.791 -2.483 12.674 446 H ASP 62 H ASP 62 5.797 -7.779 9.540 447 HA ASP 62 HA ASP 62 6.943 -10.358 8.985 448 HB2 ASP 62 2HB ASP 62 4.243 -9.465 9.896 449 HB3 ASP 62 1HB ASP 62 4.429 -11.059 9.180 450 H ILE 63 H ILE 63 7.314 -10.898 7.035 451 HA ILE 63 HA ILE 63 6.043 -9.797 4.774 452 HB ILE 63 HB ILE 63 8.294 -10.670 4.584 453 HG12 ILE 63 2HG1 ILE 63 6.498 -12.495 3.018 454 HG13 ILE 63 1HG1 ILE 63 6.682 -10.787 2.655 455 HG21 ILE 63 1HG2 ILE 63 8.784 -13.079 4.725 456 HG22 ILE 63 2HG2 ILE 63 7.110 -13.367 5.219 457 HG23 ILE 63 3HG2 ILE 63 8.178 -12.437 6.257 458 HD11 ILE 63 3HD1 ILE 63 8.085 -12.221 1.221 459 HD12 ILE 63 1HD1 ILE 63 8.887 -12.848 2.654 460 HD13 ILE 63 2HD1 ILE 63 9.067 -11.150 2.206 461 H ALA 64 H ALA 64 5.319 -12.559 6.756 462 HA ALA 64 HA ALA 64 3.594 -13.861 4.914 463 HB1 ALA 64 1HB ALA 64 2.862 -15.147 6.859 464 HB2 ALA 64 2HB ALA 64 3.704 -14.013 7.919 465 HB3 ALA 64 3HB ALA 64 4.621 -15.017 6.798 466 H ASP 65 H ASP 65 3.318 -11.151 6.931 467 HA ASP 65 HA ASP 65 0.436 -11.307 7.173 468 HB2 ASP 65 2HB ASP 65 1.873 -10.325 8.964 469 HB3 ASP 65 1HB ASP 65 2.251 -9.003 7.868 470 H VAL 66 H VAL 66 2.893 -9.628 5.390 471 HA VAL 66 HA VAL 66 1.261 -7.853 3.940 472 HB VAL 66 HB VAL 66 3.770 -9.219 2.922 473 HG11 VAL 66 1HG1 VAL 66 2.548 -6.553 2.216 474 HG12 VAL 66 2HG1 VAL 66 2.563 -7.996 1.203 475 HG13 VAL 66 3HG1 VAL 66 4.073 -7.176 1.593 476 HG21 VAL 66 3HG2 VAL 66 4.228 -8.259 5.105 477 HG22 VAL 66 1HG2 VAL 66 3.545 -6.719 4.586 478 HG23 VAL 66 2HG2 VAL 66 5.025 -7.318 3.843 479 H VAL 67 H VAL 67 2.360 -11.142 3.375 480 HA VAL 67 HA VAL 67 1.109 -11.615 0.887 481 HB VAL 67 HB VAL 67 1.617 -13.642 3.099 482 HG11 VAL 67 1HG1 VAL 67 1.615 -15.321 1.300 483 HG12 VAL 67 2HG1 VAL 67 1.180 -14.071 0.138 484 HG13 VAL 67 3HG1 VAL 67 0.057 -14.503 1.428 485 HG21 VAL 67 3HG2 VAL 67 3.338 -12.885 0.744 486 HG22 VAL 67 1HG2 VAL 67 3.679 -14.162 1.908 487 HG23 VAL 67 2HG2 VAL 67 3.652 -12.477 2.432 488 H ASP 68 H ASP 68 0.022 -12.147 4.169 489 HA ASP 68 HA ASP 68 -2.484 -13.233 3.803 490 HB2 ASP 68 2HB ASP 68 -1.562 -13.075 6.002 491 HB3 ASP 68 1HB ASP 68 -1.419 -11.330 5.884 492 H LYS 69 H LYS 69 -1.795 -9.785 4.253 493 HA LYS 69 HA LYS 69 -4.466 -8.926 3.721 494 HB2 LYS 69 2HB LYS 69 -1.917 -7.313 3.489 495 HB3 LYS 69 1HB LYS 69 -3.541 -6.677 3.681 496 HG2 LYS 69 2HG LYS 69 -1.981 -8.251 5.732 497 HG3 LYS 69 1HG LYS 69 -2.309 -6.515 5.755 498 HD2 LYS 69 2HD LYS 69 -4.684 -6.959 5.913 499 HD3 LYS 69 1HD LYS 69 -4.378 -8.704 5.893 500 HE2 LYS 69 2HE LYS 69 -3.521 -6.691 7.937 501 HE3 LYS 69 1HE LYS 69 -4.822 -7.870 8.083 502 HZ1 LYS 69 3HZ LYS 69 -3.105 -9.636 7.783 503 HZ2 LYS 69 1HZ LYS 69 -2.881 -8.753 9.214 504 HZ3 LYS 69 2HZ LYS 69 -1.902 -8.443 7.918 505 H ALA 70 H ALA 70 -1.615 -9.127 1.664 506 HA ALA 70 HA ALA 70 -2.761 -7.828 -0.560 507 HB1 ALA 70 1HB ALA 70 -0.544 -9.868 -0.558 508 HB2 ALA 70 2HB ALA 70 -0.345 -8.148 -0.226 509 HB3 ALA 70 3HB ALA 70 -0.902 -8.676 -1.811 510 H LYS 71 H LYS 71 -2.853 -11.129 0.544 511 HA LYS 71 HA LYS 71 -4.007 -12.164 -1.874 512 HB2 LYS 71 2HB LYS 71 -2.700 -13.567 -0.323 513 HB3 LYS 71 1HB LYS 71 -3.938 -13.339 0.903 514 HG2 LYS 71 2HG LYS 71 -5.565 -14.389 -0.656 515 HG3 LYS 71 1HG LYS 71 -4.222 -14.776 -1.728 516 HD2 LYS 71 2HD LYS 71 -4.526 -16.740 -0.434 517 HD3 LYS 71 1HD LYS 71 -3.151 -15.906 0.298 518 HE2 LYS 71 2HE LYS 71 -4.553 -16.669 2.075 519 HE3 LYS 71 1HE LYS 71 -4.748 -14.923 1.969 520 HZ1 LYS 71 3HZ LYS 71 -6.892 -15.990 2.233 521 HZ2 LYS 71 1HZ LYS 71 -6.611 -16.970 0.899 522 HZ3 LYS 71 2HZ LYS 71 -6.836 -15.322 0.694 523 H VAL 72 H VAL 72 -5.189 -11.666 1.429 524 HA VAL 72 HA VAL 72 -7.834 -12.420 1.062 525 HB VAL 72 HB VAL 72 -6.832 -10.330 3.019 526 HG11 VAL 72 1HG1 VAL 72 -9.243 -10.263 2.805 527 HG12 VAL 72 2HG1 VAL 72 -8.789 -10.960 4.364 528 HG13 VAL 72 3HG1 VAL 72 -9.325 -12.006 3.047 529 HG21 VAL 72 3HG2 VAL 72 -5.621 -12.363 3.313 530 HG22 VAL 72 1HG2 VAL 72 -7.110 -13.324 3.321 531 HG23 VAL 72 2HG2 VAL 72 -6.774 -12.182 4.628 532 H LEU 73 H LEU 73 -6.613 -9.054 1.077 533 HA LEU 73 HA LEU 73 -9.168 -8.191 0.090 534 HB2 LEU 73 2HB LEU 73 -7.325 -6.988 1.612 535 HB3 LEU 73 1HB LEU 73 -6.803 -6.381 0.058 536 HG LEU 73 HG LEU 73 -8.282 -4.812 1.316 537 HD11 LEU 73 1HD1 LEU 73 -9.463 -5.787 -1.272 538 HD12 LEU 73 2HD1 LEU 73 -8.166 -4.605 -1.100 539 HD13 LEU 73 3HD1 LEU 73 -9.783 -4.233 -0.507 540 HD21 LEU 73 3HD2 LEU 73 -10.651 -5.287 1.485 541 HD22 LEU 73 1HD2 LEU 73 -9.702 -6.446 2.399 542 HD23 LEU 73 2HD2 LEU 73 -10.407 -6.899 0.844 543 H SER 74 H SER 74 -6.347 -9.397 -1.312 544 HA SER 74 HA SER 74 -5.502 -9.577 -3.354 545 HB2 SER 74 2HB SER 74 -8.334 -8.976 -4.284 546 HB3 SER 74 1HB SER 74 -7.088 -9.820 -5.214 547 HG SER 74 HG SER 74 -7.259 -11.038 -2.887 548 H LEU 75 H LEU 75 -4.263 -7.762 -2.883 549 HA LEU 75 HA LEU 75 -5.033 -5.117 -3.773 550 HB2 LEU 75 2HB LEU 75 -2.441 -6.109 -2.615 551 HB3 LEU 75 1HB LEU 75 -2.941 -4.439 -2.776 552 HG LEU 75 HG LEU 75 -4.267 -6.483 -1.007 553 HD11 LEU 75 1HD1 LEU 75 -2.490 -4.160 -0.313 554 HD12 LEU 75 2HD1 LEU 75 -2.047 -5.870 -0.257 555 HD13 LEU 75 3HD1 LEU 75 -3.310 -5.255 0.811 556 HD21 LEU 75 3HD2 LEU 75 -5.462 -4.542 -0.088 557 HD22 LEU 75 1HD2 LEU 75 -5.828 -4.856 -1.786 558 HD23 LEU 75 2HD2 LEU 75 -4.745 -3.532 -1.352 559 H ALA 76 H ALA 76 -2.672 -4.049 -4.578 560 HA ALA 76 HA ALA 76 -1.930 -5.547 -6.994 561 HB1 ALA 76 1HB ALA 76 -1.928 -3.540 -8.337 562 HB2 ALA 76 2HB ALA 76 -2.428 -2.594 -6.930 563 HB3 ALA 76 3HB ALA 76 -3.530 -3.768 -7.618 564 H ALA 77 H ALA 77 -1.220 -2.947 -4.746 565 HA ALA 77 HA ALA 77 1.527 -3.789 -4.871 566 HB1 ALA 77 1HB ALA 77 1.339 -1.904 -6.417 567 HB2 ALA 77 2HB ALA 77 2.310 -1.504 -5.009 568 HB3 ALA 77 3HB ALA 77 0.664 -0.915 -5.127 569 H VAL 78 H VAL 78 2.673 -3.008 -3.111 570 HA VAL 78 HA VAL 78 1.149 -1.889 -0.896 571 HB VAL 78 HB VAL 78 1.098 -4.256 -0.451 572 HG11 VAL 78 1HG1 VAL 78 3.344 -5.497 -0.118 573 HG12 VAL 78 2HG1 VAL 78 4.082 -4.074 -0.919 574 HG13 VAL 78 3HG1 VAL 78 2.927 -5.061 -1.779 575 HG21 VAL 78 3HG2 VAL 78 3.158 -2.900 1.297 576 HG22 VAL 78 1HG2 VAL 78 2.276 -4.365 1.740 577 HG23 VAL 78 2HG2 VAL 78 1.408 -2.843 1.502 578 H GLN 79 H GLN 79 2.350 -0.465 0.323 579 HA GLN 79 HA GLN 79 4.923 0.107 -0.739 580 HB2 GLN 79 2HB GLN 79 2.822 1.607 0.671 581 HB3 GLN 79 1HB GLN 79 4.487 2.140 0.773 582 HG2 GLN 79 2HG GLN 79 3.381 3.328 -0.971 583 HG3 GLN 79 1HG GLN 79 4.533 2.219 -1.703 584 HE21 GLN 79 1HE2 GLN 79 3.682 0.261 -2.699 585 HE22 GLN 79 2HE2 GLN 79 2.062 0.281 -3.287 586 H LEU 80 H LEU 80 6.527 -0.375 0.250 587 HA LEU 80 HA LEU 80 6.385 -1.119 3.078 588 HB2 LEU 80 2HB LEU 80 7.162 -2.655 1.058 589 HB3 LEU 80 1HB LEU 80 8.619 -1.711 1.177 590 HG LEU 80 HG LEU 80 7.469 -3.604 3.209 591 HD11 LEU 80 1HD1 LEU 80 10.020 -3.626 1.656 592 HD12 LEU 80 2HD1 LEU 80 8.600 -4.633 1.379 593 HD13 LEU 80 3HD1 LEU 80 9.536 -4.813 2.866 594 HD21 LEU 80 3HD2 LEU 80 9.915 -1.860 3.519 595 HD22 LEU 80 1HD2 LEU 80 9.435 -3.147 4.622 596 HD23 LEU 80 2HD2 LEU 80 8.420 -1.721 4.439 597 H HIS 81 H HIS 81 7.547 0.273 4.377 598 HA HIS 81 HA HIS 81 9.154 2.318 3.157 599 HB2 HIS 81 2HB HIS 81 8.910 1.515 6.092 600 HB3 HIS 81 1HB HIS 81 9.801 2.916 5.507 601 HD1 HIS 81 1HD HIS 81 8.398 5.044 4.902 602 HD2 HIS 81 2HD HIS 81 6.114 1.748 6.009 603 HE1 HIS 81 1HE HIS 81 6.052 5.882 5.177 604 H GLY 82 H GLY 82 10.379 1.037 1.926 605 HA2 GLY 82 2HA GLY 82 11.639 -1.331 2.464 606 HA3 GLY 82 1HA GLY 82 12.144 -0.226 1.209 607 H ASN 83 H ASN 83 12.605 1.558 3.731 608 HA ASN 83 HA ASN 83 15.370 1.466 3.699 609 HB2 ASN 83 2HB ASN 83 13.538 2.642 5.784 610 HB3 ASN 83 1HB ASN 83 15.268 2.940 5.686 611 HD21 ASN 83 1HD2 ASN 83 12.993 4.755 5.458 612 HD22 ASN 83 2HD2 ASN 83 13.183 5.592 3.965 613 H GLU 84 H GLU 84 13.155 -0.451 5.500 614 HA GLU 84 HA GLU 84 14.392 -1.141 7.839 615 HB2 GLU 84 2HB GLU 84 12.859 -2.915 5.952 616 HB3 GLU 84 1HB GLU 84 13.197 -3.282 7.635 617 HG2 GLU 84 2HG GLU 84 11.593 -0.922 6.668 618 HG3 GLU 84 1HG GLU 84 10.919 -2.434 7.274 619 H GLU 85 H GLU 85 14.895 -2.759 4.680 620 HA GLU 85 HA GLU 85 17.643 -3.310 4.950 621 HB2 GLU 85 2HB GLU 85 16.477 -4.864 6.734 622 HB3 GLU 85 1HB GLU 85 15.881 -5.735 5.335 623 HG2 GLU 85 2HG GLU 85 18.776 -5.183 5.680 624 HG3 GLU 85 1HG GLU 85 18.010 -6.514 6.539 625 H GLN 86 H GLN 86 18.338 -4.427 3.072 626 HA GLN 86 HA GLN 86 16.787 -3.378 0.912 627 HB2 GLN 86 2HB GLN 86 19.208 -3.132 1.206 628 HB3 GLN 86 1HB GLN 86 19.380 -4.839 0.946 629 HG2 GLN 86 2HG GLN 86 18.489 -4.666 -1.308 630 HG3 GLN 86 1HG GLN 86 18.286 -2.926 -1.100 631 HE21 GLN 86 1HE2 GLN 86 20.754 -2.666 0.435 632 HE22 GLN 86 2HE2 GLN 86 22.019 -2.793 -0.735 633 H LEU 87 H LEU 87 18.073 -6.327 1.909 634 HA LEU 87 HA LEU 87 17.292 -7.856 -0.359 635 HB2 LEU 87 2HB LEU 87 18.143 -8.769 2.345 636 HB3 LEU 87 1HB LEU 87 18.058 -9.772 0.901 637 HG LEU 87 HG LEU 87 19.730 -7.326 1.114 638 HD11 LEU 87 1HD1 LEU 87 20.468 -10.209 1.645 639 HD12 LEU 87 2HD1 LEU 87 20.506 -8.845 2.779 640 HD13 LEU 87 3HD1 LEU 87 21.644 -8.907 1.432 641 HD21 LEU 87 3HD2 LEU 87 20.949 -8.276 -0.785 642 HD22 LEU 87 1HD2 LEU 87 19.250 -8.000 -1.148 643 HD23 LEU 87 2HD2 LEU 87 19.832 -9.640 -0.819 644 H TYR 88 H TYR 88 15.907 -6.922 2.531 645 HA TYR 88 HA TYR 88 13.922 -8.822 2.909 646 HB2 TYR 88 2HB TYR 88 14.377 -7.145 4.589 647 HB3 TYR 88 1HB TYR 88 13.915 -5.865 3.476 648 HD1 TYR 88 1HD TYR 88 12.250 -9.094 4.219 649 HD2 TYR 88 2HD TYR 88 12.091 -4.864 4.387 650 HE1 TYR 88 1HE TYR 88 9.950 -9.259 5.013 651 HE2 TYR 88 2HE TYR 88 9.788 -4.983 5.233 652 HH TYR 88 HH TYR 88 8.442 -7.801 6.426 653 H ILE 89 H ILE 89 13.984 -5.896 0.911 654 HA ILE 89 HA ILE 89 11.324 -6.100 -0.030 655 HB ILE 89 HB ILE 89 13.771 -4.827 -1.264 656 HG12 ILE 89 2HG1 ILE 89 12.486 -2.680 -0.831 657 HG13 ILE 89 1HG1 ILE 89 11.334 -3.649 0.071 658 HG21 ILE 89 1HG2 ILE 89 10.913 -4.665 -2.180 659 HG22 ILE 89 2HG2 ILE 89 12.199 -5.524 -3.022 660 HG23 ILE 89 3HG2 ILE 89 12.245 -3.744 -2.899 661 HD11 ILE 89 3HD1 ILE 89 12.925 -2.509 1.499 662 HD12 ILE 89 1HD1 ILE 89 14.246 -3.332 0.682 663 HD13 ILE 89 2HD1 ILE 89 13.079 -4.262 1.626 664 H ASP 90 H ASP 90 14.332 -7.401 -1.072 665 HA ASP 90 HA ASP 90 13.539 -8.579 -3.520 666 HB2 ASP 90 2HB ASP 90 15.861 -8.103 -2.689 667 HB3 ASP 90 1HB ASP 90 15.687 -9.467 -1.619 668 H THR 91 H THR 91 13.006 -9.391 -0.280 669 HA THR 91 HA THR 91 12.554 -12.226 -0.649 670 HB THR 91 HB THR 91 12.201 -10.362 1.689 671 HG1 THR 91 1HG THR 91 14.374 -10.823 0.925 672 HG21 THR 91 3HG2 THR 91 12.017 -13.369 1.586 673 HG22 THR 91 1HG2 THR 91 10.742 -12.155 1.750 674 HG23 THR 91 2HG2 THR 91 11.938 -12.350 3.054 675 H LEU 92 H LEU 92 10.598 -9.292 -0.044 676 HA LEU 92 HA LEU 92 8.118 -10.321 0.230 677 HB2 LEU 92 2HB LEU 92 9.134 -7.818 -0.974 678 HB3 LEU 92 1HB LEU 92 7.420 -8.160 -1.159 679 HG LEU 92 HG LEU 92 7.694 -6.650 0.685 680 HD11 LEU 92 1HD1 LEU 92 6.773 -7.889 2.505 681 HD12 LEU 92 2HD1 LEU 92 7.498 -9.334 1.807 682 HD13 LEU 92 3HD1 LEU 92 6.126 -8.565 0.972 683 HD21 LEU 92 3HD2 LEU 92 9.627 -8.630 1.803 684 HD22 LEU 92 1HD2 LEU 92 9.069 -7.169 2.612 685 HD23 LEU 92 2HD2 LEU 92 10.041 -7.047 1.140 686 H ARG 93 H ARG 93 9.919 -9.845 -2.654 687 HA ARG 93 HA ARG 93 7.985 -10.070 -4.617 688 HB2 ARG 93 2HB ARG 93 10.750 -11.241 -4.858 689 HB3 ARG 93 1HB ARG 93 9.726 -10.648 -6.152 690 HG2 ARG 93 2HG ARG 93 11.211 -9.107 -4.077 691 HG3 ARG 93 1HG ARG 93 11.305 -8.988 -5.840 692 HD2 ARG 93 2HD ARG 93 9.121 -8.238 -4.017 693 HD3 ARG 93 1HD ARG 93 10.099 -7.150 -4.964 694 HE ARG 93 HE ARG 93 8.213 -9.125 -6.205 695 HH11 ARG 93 1HH1 ARG 93 9.577 -5.850 -6.394 696 HH12 ARG 93 2HH1 ARG 93 8.695 -5.487 -7.809 697 HH21 ARG 93 1HH2 ARG 93 6.997 -8.536 -8.041 698 HH22 ARG 93 2HH2 ARG 93 7.178 -6.984 -8.699 699 H GLU 94 H GLU 94 9.633 -12.304 -2.796 700 HA GLU 94 HA GLU 94 9.143 -14.626 -4.477 701 HB2 GLU 94 2HB GLU 94 10.217 -14.707 -1.662 702 HB3 GLU 94 1HB GLU 94 10.438 -15.903 -2.936 703 HG2 GLU 94 2HG GLU 94 11.687 -14.198 -4.240 704 HG3 GLU 94 1HG GLU 94 11.545 -13.124 -2.851 705 H ALA 95 H ALA 95 7.851 -13.382 -1.490 706 HA ALA 95 HA ALA 95 6.125 -15.699 -1.257 707 HB1 ALA 95 1HB ALA 95 6.238 -13.332 0.595 708 HB2 ALA 95 2HB ALA 95 7.214 -14.792 0.765 709 HB3 ALA 95 3HB ALA 95 5.460 -14.884 0.907 710 H LEU 96 H LEU 96 5.947 -12.705 -2.524 711 HA LEU 96 HA LEU 96 2.990 -12.624 -2.529 712 HB2 LEU 96 2HB LEU 96 5.011 -10.561 -3.408 713 HB3 LEU 96 1HB LEU 96 3.277 -10.372 -3.549 714 HG LEU 96 HG LEU 96 4.780 -10.664 -0.940 715 HD11 LEU 96 1HD1 LEU 96 5.269 -8.550 -2.008 716 HD12 LEU 96 2HD1 LEU 96 4.226 -8.305 -0.607 717 HD13 LEU 96 3HD1 LEU 96 3.550 -8.239 -2.234 718 HD21 LEU 96 3HD2 LEU 96 2.653 -10.027 0.085 719 HD22 LEU 96 1HD2 LEU 96 2.509 -11.535 -0.816 720 HD23 LEU 96 2HD2 LEU 96 1.886 -10.036 -1.504 721 HA PRO 97 HA PRO 97 2.833 -14.186 -6.635 722 HB2 PRO 97 2HB PRO 97 0.369 -13.229 -7.279 723 HB3 PRO 97 1HB PRO 97 0.571 -14.703 -6.359 724 HG2 PRO 97 2HG PRO 97 -0.096 -11.947 -5.492 725 HG3 PRO 97 1HG PRO 97 -0.674 -13.484 -4.817 726 HD2 PRO 97 2HD PRO 97 1.224 -11.939 -3.617 727 HD3 PRO 97 1HD PRO 97 1.177 -13.707 -3.456 728 H ALA 98 H ALA 98 2.460 -13.343 -8.772 729 HA ALA 98 HA ALA 98 3.914 -10.990 -9.320 730 HB1 ALA 98 1HB ALA 98 3.307 -11.410 -11.638 731 HB2 ALA 98 2HB ALA 98 2.065 -12.540 -11.098 732 HB3 ALA 98 3HB ALA 98 3.768 -12.913 -10.824 733 H HIS 99 H HIS 99 0.738 -11.369 -8.440 734 HA HIS 99 HA HIS 99 -0.467 -9.229 -9.957 735 HB2 HIS 99 2HB HIS 99 -1.695 -10.243 -7.416 736 HB3 HIS 99 1HB HIS 99 -2.475 -9.762 -8.911 737 HD1 HIS 99 1HD HIS 99 -1.330 -11.759 -10.931 738 HD2 HIS 99 2HD HIS 99 -2.316 -12.756 -7.033 739 HE1 HIS 99 1HE HIS 99 -1.519 -14.287 -10.853 740 H VAL 100 H VAL 100 1.248 -9.600 -6.824 741 HA VAL 100 HA VAL 100 0.328 -7.025 -6.010 742 HB VAL 100 HB VAL 100 1.677 -9.279 -4.559 743 HG11 VAL 100 1HG1 VAL 100 0.484 -6.723 -3.579 744 HG12 VAL 100 2HG1 VAL 100 2.202 -7.134 -3.735 745 HG13 VAL 100 3HG1 VAL 100 1.189 -8.007 -2.560 746 HG21 VAL 100 3HG2 VAL 100 -1.186 -8.353 -4.404 747 HG22 VAL 100 1HG2 VAL 100 -0.471 -9.679 -3.487 748 HG23 VAL 100 2HG2 VAL 100 -0.636 -9.802 -5.242 749 H ALA 101 H ALA 101 1.715 -5.483 -6.042 750 HA ALA 101 HA ALA 101 4.520 -6.030 -6.685 751 HB1 ALA 101 1HB ALA 101 2.788 -3.641 -7.271 752 HB2 ALA 101 2HB ALA 101 3.330 -4.857 -8.431 753 HB3 ALA 101 3HB ALA 101 4.499 -3.781 -7.668 754 H ILE 102 H ILE 102 5.868 -4.052 -5.936 755 HA ILE 102 HA ILE 102 5.064 -3.328 -3.226 756 HB ILE 102 HB ILE 102 7.794 -4.235 -4.137 757 HG12 ILE 102 2HG1 ILE 102 7.576 -5.818 -2.068 758 HG13 ILE 102 1HG1 ILE 102 5.858 -5.476 -2.158 759 HG21 ILE 102 1HG2 ILE 102 8.182 -2.436 -2.926 760 HG22 ILE 102 2HG2 ILE 102 8.468 -3.726 -1.712 761 HG23 ILE 102 3HG2 ILE 102 6.954 -2.757 -1.734 762 HD11 ILE 102 3HD1 ILE 102 6.540 -7.626 -3.262 763 HD12 ILE 102 1HD1 ILE 102 7.485 -6.694 -4.390 764 HD13 ILE 102 2HD1 ILE 102 5.734 -6.512 -4.364 765 H TRP 103 H TRP 103 5.278 -1.193 -2.920 766 HA TRP 103 HA TRP 103 7.167 0.207 -4.743 767 HB2 TRP 103 2HB TRP 103 4.691 1.501 -3.506 768 HB3 TRP 103 1HB TRP 103 5.825 2.259 -4.613 769 HD1 TRP 103 HD TRP 103 5.684 -0.546 -6.448 770 HE1 TRP 103 1HE TRP 103 3.750 -0.773 -8.064 771 HE3 TRP 103 3HE TRP 103 2.665 2.865 -4.371 772 HZ2 TRP 103 2HZ TRP 103 1.171 0.413 -8.420 773 HZ3 TRP 103 3HZ TRP 103 0.446 3.329 -5.397 774 HH2 TRP 103 HH TRP 103 -0.273 2.115 -7.379 775 H LYS 104 H LYS 104 8.262 2.003 -3.807 776 HA LYS 104 HA LYS 104 8.759 1.449 -0.982 777 HB2 LYS 104 2HB LYS 104 10.719 1.266 -2.554 778 HB3 LYS 104 1HB LYS 104 10.515 2.949 -2.981 779 HG2 LYS 104 2HG LYS 104 11.146 2.067 -0.150 780 HG3 LYS 104 1HG LYS 104 12.399 2.359 -1.350 781 HD2 LYS 104 2HD LYS 104 11.725 4.687 -1.542 782 HD3 LYS 104 1HD LYS 104 10.340 4.407 -0.498 783 HE2 LYS 104 2HE LYS 104 12.106 5.540 0.745 784 HE3 LYS 104 1HE LYS 104 11.878 3.917 1.377 785 HZ1 LYS 104 3HZ LYS 104 14.085 4.762 -0.463 786 HZ2 LYS 104 1HZ LYS 104 13.877 3.228 0.170 787 HZ3 LYS 104 2HZ LYS 104 14.223 4.518 1.170 788 H ALA 105 H ALA 105 7.702 2.664 0.297 789 HA ALA 105 HA ALA 105 6.630 5.206 -0.397 790 HB1 ALA 105 1HB ALA 105 6.027 5.349 2.002 791 HB2 ALA 105 2HB ALA 105 6.977 3.897 2.314 792 HB3 ALA 105 3HB ALA 105 5.541 3.812 1.294 793 H LEU 106 H LEU 106 7.995 6.753 -0.848 794 HA LEU 106 HA LEU 106 10.560 6.851 0.399 795 HB2 LEU 106 2HB LEU 106 10.269 7.173 -2.018 796 HB3 LEU 106 1HB LEU 106 9.282 8.576 -1.706 797 HG LEU 106 HG LEU 106 11.261 9.695 -0.681 798 HD11 LEU 106 1HD1 LEU 106 12.527 7.741 -0.011 799 HD12 LEU 106 2HD1 LEU 106 13.484 8.753 -1.092 800 HD13 LEU 106 3HD1 LEU 106 12.739 7.275 -1.697 801 HD21 LEU 106 3HD2 LEU 106 11.626 8.725 -3.513 802 HD22 LEU 106 1HD2 LEU 106 12.411 10.133 -2.799 803 HD23 LEU 106 2HD2 LEU 106 10.659 10.112 -3.004 804 H SER 107 H SER 107 10.336 7.530 2.473 805 HA SER 107 HA SER 107 8.900 9.847 3.182 806 HB2 SER 107 2HB SER 107 11.335 8.588 4.511 807 HB3 SER 107 1HB SER 107 10.160 9.661 5.272 808 HG SER 107 HG SER 107 8.562 8.042 4.801 809 H VAL 108 H VAL 108 9.666 11.938 3.196 810 HA VAL 108 HA VAL 108 11.220 12.636 1.031 811 HB VAL 108 HB VAL 108 11.173 14.969 1.858 812 HG11 VAL 108 1HG1 VAL 108 8.732 15.162 1.739 813 HG12 VAL 108 2HG1 VAL 108 8.590 13.427 2.005 814 HG13 VAL 108 3HG1 VAL 108 9.358 14.035 0.539 815 HG21 VAL 108 3HG2 VAL 108 11.337 14.521 4.266 816 HG22 VAL 108 1HG2 VAL 108 9.751 13.756 4.237 817 HG23 VAL 108 2HG2 VAL 108 9.903 15.478 3.896 818 H GLY 109 H GLY 109 13.130 13.567 0.659 819 HA2 GLY 109 2HA GLY 109 15.131 14.297 2.284 820 HA3 GLY 109 1HA GLY 109 15.263 12.542 2.244 821 H GLU 110 H GLU 110 16.661 15.037 1.020 822 HA GLU 110 HA GLU 110 16.849 14.081 -1.725 823 HB2 GLU 110 2HB GLU 110 17.999 16.203 -2.185 824 HB3 GLU 110 1HB GLU 110 16.456 16.479 -1.399 825 HG2 GLU 110 2HG GLU 110 19.123 16.572 0.001 826 HG3 GLU 110 1HG GLU 110 18.277 17.983 -0.619 827 H THR 111 H THR 111 18.299 13.987 1.266 828 HA THR 111 HA THR 111 21.004 13.455 0.411 829 HB THR 111 HB THR 111 20.503 14.694 2.513 830 HG1 THR 111 1HG THR 111 22.439 13.653 2.511 831 HG21 THR 111 3HG2 THR 111 19.634 13.488 4.486 832 HG22 THR 111 1HG2 THR 111 19.334 12.077 3.475 833 HG23 THR 111 2HG2 THR 111 18.444 13.572 3.186 834 H LEU 112 H LEU 112 18.810 11.754 -0.520 835 HA LEU 112 HA LEU 112 19.504 9.176 0.665 836 HB2 LEU 112 2HB LEU 112 17.023 10.017 -0.850 837 HB3 LEU 112 1HB LEU 112 17.336 8.397 -0.269 838 HG LEU 112 HG LEU 112 16.953 10.833 1.474 839 HD11 LEU 112 1HD1 LEU 112 14.902 10.142 0.363 840 HD12 LEU 112 2HD1 LEU 112 14.842 9.793 2.090 841 HD13 LEU 112 3HD1 LEU 112 15.142 8.491 0.937 842 HD21 LEU 112 3HD2 LEU 112 18.456 9.184 2.479 843 HD22 LEU 112 1HD2 LEU 112 17.260 7.918 2.204 844 HD23 LEU 112 2HD2 LEU 112 16.909 9.233 3.327 845 HA PRO 113 HA PRO 113 21.123 8.239 -3.389 846 HB2 PRO 113 2HB PRO 113 20.503 5.435 -3.238 847 HB3 PRO 113 1HB PRO 113 22.050 6.223 -2.935 848 HG2 PRO 113 2HG PRO 113 20.542 4.978 -0.994 849 HG3 PRO 113 1HG PRO 113 21.737 6.245 -0.680 850 HD2 PRO 113 2HD PRO 113 18.764 6.448 -0.859 851 HD3 PRO 113 1HD PRO 113 19.891 7.258 0.249 852 H ALA 114 H ALA 114 20.544 7.613 -5.516 853 HA ALA 114 HA ALA 114 17.747 7.867 -6.090 854 HB1 ALA 114 1HB ALA 114 19.419 8.932 -7.509 855 HB2 ALA 114 2HB ALA 114 18.455 7.786 -8.445 856 HB3 ALA 114 3HB ALA 114 20.087 7.357 -7.927 857 H ARG 115 H ARG 115 20.078 5.310 -5.973 858 HA ARG 115 HA ARG 115 17.885 3.437 -6.463 859 HB2 ARG 115 2HB ARG 115 19.476 1.753 -7.242 860 HB3 ARG 115 1HB ARG 115 19.671 3.205 -8.201 861 HG2 ARG 115 2HG ARG 115 21.648 3.793 -6.860 862 HG3 ARG 115 1HG ARG 115 21.455 2.289 -5.958 863 HD2 ARG 115 2HD ARG 115 21.713 1.043 -8.072 864 HD3 ARG 115 1HD ARG 115 21.974 2.572 -8.912 865 HE ARG 115 HE ARG 115 23.681 1.602 -6.742 866 HH11 ARG 115 1HH1 ARG 115 23.368 3.039 -10.004 867 HH12 ARG 115 2HH1 ARG 115 25.038 3.265 -10.202 868 HH21 ARG 115 1HH2 ARG 115 25.979 1.900 -7.070 869 HH22 ARG 115 2HH2 ARG 115 26.563 2.609 -8.496 870 H GLU 116 H GLU 116 17.444 2.101 -4.863 871 HA GLU 116 HA GLU 116 19.245 2.106 -2.529 872 HB2 GLU 116 2HB GLU 116 16.300 2.389 -2.474 873 HB3 GLU 116 1HB GLU 116 17.342 2.310 -1.077 874 HG2 GLU 116 2HG GLU 116 18.258 4.480 -1.634 875 HG3 GLU 116 1HG GLU 116 17.258 4.541 -3.096 876 H PHE 117 H PHE 117 16.164 0.915 -3.716 877 HA PHE 117 HA PHE 117 16.860 -1.743 -2.751 878 HB2 PHE 117 2HB PHE 117 14.181 -0.342 -2.526 879 HB3 PHE 117 1HB PHE 117 14.528 -1.995 -2.008 880 HD1 PHE 117 2HD PHE 117 16.440 -2.268 -0.466 881 HD2 PHE 117 1HD PHE 117 14.435 1.392 -0.959 882 HE1 PHE 117 2HE PHE 117 17.385 -1.495 1.693 883 HE2 PHE 117 1HE PHE 117 15.362 2.224 1.166 884 HZ PHE 117 HZ PHE 117 16.855 0.776 2.501 885 H GLN 118 H GLN 118 17.102 -2.924 -4.481 886 HA GLN 118 HA GLN 118 15.780 -2.401 -6.899 887 HB2 GLN 118 2HB GLN 118 18.095 -3.572 -6.281 888 HB3 GLN 118 1HB GLN 118 16.989 -4.954 -6.174 889 HG2 GLN 118 2HG GLN 118 16.301 -4.680 -8.403 890 HG3 GLN 118 1HG GLN 118 17.289 -3.212 -8.527 891 HE21 GLN 118 1HE2 GLN 118 17.406 -5.726 -10.076 892 HE22 GLN 118 2HE2 GLN 118 19.016 -6.314 -9.907 893 H HIS 119 H HIS 119 14.557 -4.259 -7.821 894 HA HIS 119 HA HIS 119 12.707 -5.497 -7.913 895 HB2 HIS 119 2HB HIS 119 14.001 -6.604 -5.502 896 HB3 HIS 119 1HB HIS 119 12.266 -6.883 -5.586 897 HD1 HIS 119 1HD HIS 119 14.715 -9.083 -5.997 898 HD2 HIS 119 2HD HIS 119 12.186 -7.419 -8.862 899 HE1 HIS 119 1HE HIS 119 14.596 -10.730 -7.877 900 H VAL 120 H VAL 120 12.565 -2.823 -6.941 901 HA VAL 120 HA VAL 120 9.916 -3.101 -5.675 902 HB VAL 120 HB VAL 120 9.876 -0.764 -5.149 903 HG11 VAL 120 1HG1 VAL 120 12.531 -1.887 -4.348 904 HG12 VAL 120 2HG1 VAL 120 10.987 -2.060 -3.505 905 HG13 VAL 120 3HG1 VAL 120 11.760 -0.479 -3.620 906 HG21 VAL 120 3HG2 VAL 120 12.465 -0.494 -6.663 907 HG22 VAL 120 1HG2 VAL 120 11.749 0.767 -5.632 908 HG23 VAL 120 2HG2 VAL 120 10.872 0.195 -7.045 909 H ASP 121 H ASP 121 8.168 -2.085 -6.567 910 HA ASP 121 HA ASP 121 8.269 -2.335 -9.469 911 HB2 ASP 121 2HB ASP 121 6.528 -3.502 -8.282 912 HB3 ASP 121 1HB ASP 121 5.942 -2.032 -7.559 913 H LYS 122 H LYS 122 7.493 0.138 -7.101 914 HA LYS 122 HA LYS 122 8.134 2.227 -8.962 915 HB2 LYS 122 2HB LYS 122 5.274 1.767 -8.283 916 HB3 LYS 122 1HB LYS 122 5.796 3.410 -8.070 917 HG2 LYS 122 2HG LYS 122 5.159 3.582 -10.235 918 HG3 LYS 122 1HG LYS 122 6.775 2.959 -10.542 919 HD2 LYS 122 2HD LYS 122 5.329 1.677 -11.877 920 HD3 LYS 122 1HD LYS 122 5.721 0.648 -10.500 921 HE2 LYS 122 2HE LYS 122 3.593 1.368 -9.420 922 HE3 LYS 122 1HE LYS 122 3.219 2.276 -10.882 923 HZ1 LYS 122 3HZ LYS 122 3.623 -0.631 -10.672 924 HZ2 LYS 122 1HZ LYS 122 3.291 0.182 -12.120 925 HZ3 LYS 122 2HZ LYS 122 2.123 0.135 -10.902 926 H TYR 123 H TYR 123 8.125 4.368 -7.984 927 HA TYR 123 HA TYR 123 8.586 4.249 -5.096 928 HB2 TYR 123 2HB TYR 123 9.867 5.792 -7.291 929 HB3 TYR 123 1HB TYR 123 9.635 6.614 -5.751 930 HD1 TYR 123 1HD TYR 123 11.095 3.493 -7.202 931 HD2 TYR 123 2HD TYR 123 11.154 6.373 -4.086 932 HE1 TYR 123 1HE TYR 123 13.153 2.481 -6.306 933 HE2 TYR 123 2HE TYR 123 13.174 5.386 -3.177 934 HH TYR 123 HH TYR 123 14.594 3.715 -3.298 935 H VAL 124 H VAL 124 7.421 5.566 -3.803 936 HA VAL 124 HA VAL 124 5.744 7.584 -5.054 937 HB VAL 124 HB VAL 124 3.778 6.937 -3.647 938 HG11 VAL 124 1HG1 VAL 124 3.006 5.068 -5.028 939 HG12 VAL 124 2HG1 VAL 124 4.654 4.819 -5.601 940 HG13 VAL 124 3HG1 VAL 124 3.802 6.313 -5.993 941 HG21 VAL 124 3HG2 VAL 124 3.662 4.668 -2.718 942 HG22 VAL 124 1HG2 VAL 124 4.923 5.635 -1.948 943 HG23 VAL 124 2HG2 VAL 124 5.351 4.413 -3.149 944 H LEU 125 H LEU 125 4.782 8.997 -3.408 945 HA LEU 125 HA LEU 125 6.822 9.739 -1.517 946 HB2 LEU 125 2HB LEU 125 5.669 11.416 -2.881 947 HB3 LEU 125 1HB LEU 125 4.136 10.940 -2.186 948 HG LEU 125 HG LEU 125 4.996 11.714 0.036 949 HD11 LEU 125 1HD1 LEU 125 6.887 13.249 0.065 950 HD12 LEU 125 2HD1 LEU 125 7.218 12.874 -1.624 951 HD13 LEU 125 3HD1 LEU 125 7.369 11.619 -0.394 952 HD21 LEU 125 3HD2 LEU 125 4.647 14.094 -0.457 953 HD22 LEU 125 1HD2 LEU 125 3.472 13.069 -1.277 954 HD23 LEU 125 2HD2 LEU 125 4.823 13.752 -2.179 955 H ASP 126 H ASP 126 6.588 9.755 0.691 956 HA ASP 126 HA ASP 126 4.971 7.976 2.094 957 HB2 ASP 126 2HB ASP 126 6.912 8.916 3.160 958 HB3 ASP 126 1HB ASP 126 6.301 10.553 2.954 959 H ASN 127 H ASN 127 2.797 8.022 1.758 960 HA ASN 127 HA ASN 127 1.397 10.443 1.512 961 HB2 ASN 127 2HB ASN 127 0.817 8.307 0.335 962 HB3 ASN 127 1HB ASN 127 0.262 7.681 1.887 963 HD21 ASN 127 1HD2 ASN 127 -0.231 10.066 -0.551 964 HD22 ASN 127 2HD2 ASN 127 -1.845 10.468 -0.090 965 H GLY 128 H GLY 128 1.667 11.544 3.306 966 HA2 GLY 128 2HA GLY 128 -0.220 11.444 5.260 967 HA3 GLY 128 1HA GLY 128 1.140 10.517 5.897 968 H GLN 129 H GLN 129 3.340 11.646 5.357 969 HA GLN 129 HA GLN 129 4.786 13.304 5.703 970 HB2 GLN 129 2HB GLN 129 2.478 15.145 5.018 971 HB3 GLN 129 1HB GLN 129 4.144 15.665 5.197 972 HG2 GLN 129 2HG GLN 129 3.187 13.663 3.154 973 HG3 GLN 129 1HG GLN 129 3.425 15.379 2.837 974 HE21 GLN 129 1HE2 GLN 129 4.974 12.327 3.409 975 HE22 GLN 129 2HE2 GLN 129 6.568 12.843 3.005 976 H GLY 130 H GLY 130 2.442 12.595 7.758 977 HA2 GLY 130 2HA GLY 130 2.984 14.746 9.662 978 HA3 GLY 130 1HA GLY 130 1.703 13.543 9.797 979 H GLY 131 H GLY 131 4.148 14.424 11.465 980 HA2 GLY 131 2HA GLY 131 5.132 13.137 13.174 981 HA3 GLY 131 1HA GLY 131 4.889 11.692 12.196 982 H ALA 132 H ALA 132 5.911 13.801 10.074 983 HA ALA 132 HA ALA 132 8.759 13.503 10.594 984 HB1 ALA 132 1HB ALA 132 9.118 12.850 8.238 985 HB2 ALA 132 2HB ALA 132 7.371 12.807 7.991 986 HB3 ALA 132 3HB ALA 132 8.134 11.662 9.095 987 H GLY 133 H GLY 133 9.344 15.553 10.774 988 HA2 GLY 133 2HA GLY 133 9.605 17.393 8.890 989 HA3 GLY 133 1HA GLY 133 7.928 17.619 9.392 990 H SER 134 H SER 134 9.390 19.703 9.849 991 HA SER 134 HA SER 134 10.713 19.588 12.386 992 HB2 SER 134 2HB SER 134 9.977 21.983 10.689 993 HB3 SER 134 1HB SER 134 11.212 21.906 11.949 994 HG SER 134 HG SER 134 11.368 21.218 9.341 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -7.070 16.240 -11.910 2 H2 MET 1 2HT MET 1 -8.665 16.348 -12.417 3 H3 MET 1 3HT MET 1 -7.515 15.547 -13.358 4 HA MET 1 HA MET 1 -8.326 14.670 -10.672 5 HB2 MET 1 2HB MET 1 -10.160 14.378 -12.311 6 HB3 MET 1 1HB MET 1 -9.061 13.530 -13.385 7 HG2 MET 1 2HG MET 1 -8.809 11.746 -11.726 8 HG3 MET 1 1HG MET 1 -9.916 12.587 -10.648 9 HE1 MET 1 2HE MET 1 -12.134 13.684 -12.745 10 HE2 MET 1 3HE MET 1 -12.515 12.952 -11.187 11 HE3 MET 1 1HE MET 1 -13.303 12.370 -12.652 12 H GLY 2 H GLY 2 -6.192 14.335 -10.019 13 HA2 GLY 2 2HA GLY 2 -4.505 12.686 -11.712 14 HA3 GLY 2 1HA GLY 2 -4.031 13.515 -10.230 15 H GLU 3 H GLU 3 -5.467 12.721 -8.316 16 HA GLU 3 HA GLU 3 -5.293 9.796 -8.378 17 HB2 GLU 3 2HB GLU 3 -4.905 11.693 -6.068 18 HB3 GLU 3 1HB GLU 3 -5.058 9.955 -5.879 19 HG2 GLU 3 2HG GLU 3 -3.054 9.641 -7.251 20 HG3 GLU 3 1HG GLU 3 -2.908 11.392 -7.413 21 H ASN 4 H ASN 4 -6.651 8.857 -6.540 22 HA ASN 4 HA ASN 4 -9.196 10.057 -6.057 23 HB2 ASN 4 2HB ASN 4 -10.431 8.080 -7.030 24 HB3 ASN 4 1HB ASN 4 -9.653 9.061 -8.254 25 HD21 ASN 4 1HD2 ASN 4 -10.555 6.325 -8.259 26 HD22 ASN 4 2HD2 ASN 4 -9.187 5.338 -8.693 27 H LYS 5 H LYS 5 -7.254 9.673 -4.490 28 HA LYS 5 HA LYS 5 -6.929 7.104 -3.365 29 HB2 LYS 5 2HB LYS 5 -5.550 8.247 -1.645 30 HB3 LYS 5 1HB LYS 5 -5.095 8.641 -3.295 31 HG2 LYS 5 2HG LYS 5 -6.787 10.680 -2.775 32 HG3 LYS 5 1HG LYS 5 -6.190 10.357 -1.157 33 HD2 LYS 5 2HD LYS 5 -4.470 10.902 -3.579 34 HD3 LYS 5 1HD LYS 5 -4.841 12.055 -2.305 35 HE2 LYS 5 2HE LYS 5 -3.639 10.759 -0.694 36 HE3 LYS 5 1HE LYS 5 -3.435 9.436 -1.843 37 HZ1 LYS 5 3HZ LYS 5 -1.456 10.810 -1.624 38 HZ2 LYS 5 1HZ LYS 5 -2.303 12.160 -2.184 39 HZ3 LYS 5 2HZ LYS 5 -2.067 10.824 -3.203 40 H VAL 6 H VAL 6 -8.791 6.231 -2.674 41 HA VAL 6 HA VAL 6 -10.408 7.544 -0.751 42 HB VAL 6 HB VAL 6 -11.466 6.041 -2.339 43 HG11 VAL 6 1HG1 VAL 6 -9.752 4.419 -2.720 44 HG12 VAL 6 2HG1 VAL 6 -11.234 3.599 -2.226 45 HG13 VAL 6 3HG1 VAL 6 -9.913 3.804 -1.076 46 HG21 VAL 6 3HG2 VAL 6 -11.697 5.018 0.490 47 HG22 VAL 6 1HG2 VAL 6 -12.856 4.691 -0.803 48 HG23 VAL 6 2HG2 VAL 6 -12.613 6.342 -0.231 49 H CYS 7 H CYS 7 -9.668 7.906 1.111 50 HA CYS 7 HA CYS 7 -8.105 5.955 2.651 51 HB2 CYS 7 2HB CYS 7 -8.819 8.846 3.222 52 HB3 CYS 7 1HB CYS 7 -7.678 7.861 4.136 53 HG CYS 7 HG CYS 7 -6.330 7.501 1.431 54 H GLY 8 H GLY 8 -8.840 5.998 5.141 55 HA2 GLY 8 2HA GLY 8 -10.835 4.328 5.468 56 HA3 GLY 8 1HA GLY 8 -10.411 5.515 6.675 57 H LEU 9 H LEU 9 -12.704 4.248 4.728 58 HA LEU 9 HA LEU 9 -14.836 5.727 5.742 59 HB2 LEU 9 2HB LEU 9 -13.637 7.085 3.722 60 HB3 LEU 9 1HB LEU 9 -14.520 5.933 2.750 61 HG LEU 9 HG LEU 9 -15.706 8.042 2.869 62 HD11 LEU 9 1HD1 LEU 9 -17.115 5.967 4.494 63 HD12 LEU 9 2HD1 LEU 9 -17.016 6.023 2.736 64 HD13 LEU 9 3HD1 LEU 9 -17.863 7.303 3.618 65 HD21 LEU 9 3HD2 LEU 9 -16.605 8.906 4.966 66 HD22 LEU 9 1HD2 LEU 9 -14.843 8.872 4.980 67 HD23 LEU 9 2HD2 LEU 9 -15.758 7.645 5.857 68 H THR 10 H THR 10 -16.699 4.352 5.132 69 HA THR 10 HA THR 10 -15.917 2.007 3.576 70 HB THR 10 HB THR 10 -15.460 1.421 5.959 71 HG1 THR 10 1HG THR 10 -17.152 0.017 4.308 72 HG21 THR 10 3HG2 THR 10 -18.429 1.821 6.285 73 HG22 THR 10 1HG2 THR 10 -17.141 2.721 7.080 74 HG23 THR 10 2HG2 THR 10 -17.399 1.018 7.470 75 H ARG 11 H ARG 11 -18.072 4.362 4.140 76 HA ARG 11 HA ARG 11 -20.518 3.078 3.499 77 HB2 ARG 11 2HB ARG 11 -19.651 5.948 3.005 78 HB3 ARG 11 1HB ARG 11 -21.299 5.354 2.923 79 HG2 ARG 11 2HG ARG 11 -21.315 4.936 5.302 80 HG3 ARG 11 1HG ARG 11 -19.604 5.348 5.408 81 HD2 ARG 11 2HD ARG 11 -20.120 7.636 4.678 82 HD3 ARG 11 1HD ARG 11 -21.831 7.220 4.603 83 HE ARG 11 HE ARG 11 -21.259 6.597 7.117 84 HH11 ARG 11 1HH1 ARG 11 -20.305 9.508 5.324 85 HH12 ARG 11 2HH1 ARG 11 -20.446 10.537 6.659 86 HH21 ARG 11 1HH2 ARG 11 -21.432 8.036 8.952 87 HH22 ARG 11 2HH2 ARG 11 -21.096 9.693 8.757 88 H GLY 12 H GLY 12 -20.709 1.990 1.697 89 HA2 GLY 12 2HA GLY 12 -19.175 1.713 -0.505 90 HA3 GLY 12 1HA GLY 12 -20.938 1.533 -0.406 91 H GLN 13 H GLN 13 -22.115 3.582 -0.517 92 HA GLN 13 HA GLN 13 -21.811 4.844 -2.926 93 HB2 GLN 13 2HB GLN 13 -23.460 6.526 -2.092 94 HB3 GLN 13 1HB GLN 13 -23.952 4.844 -1.999 95 HG2 GLN 13 2HG GLN 13 -22.642 6.112 0.256 96 HG3 GLN 13 1HG GLN 13 -24.359 6.497 -0.009 97 HE21 GLN 13 1HE2 GLN 13 -22.072 4.197 1.183 98 HE22 GLN 13 2HE2 GLN 13 -23.154 2.949 1.624 99 H ASP 14 H ASP 14 -20.096 5.620 -0.067 100 HA ASP 14 HA ASP 14 -19.443 8.300 -1.058 101 HB2 ASP 14 2HB ASP 14 -19.781 7.851 1.453 102 HB3 ASP 14 1HB ASP 14 -18.286 6.952 1.423 103 H ALA 15 H ALA 15 -18.000 5.219 -0.311 104 HA ALA 15 HA ALA 15 -15.372 5.739 -1.064 105 HB1 ALA 15 1HB ALA 15 -16.038 3.819 0.280 106 HB2 ALA 15 2HB ALA 15 -15.153 3.274 -1.147 107 HB3 ALA 15 3HB ALA 15 -16.913 3.143 -1.086 108 H LYS 16 H LYS 16 -18.197 4.764 -2.905 109 HA LYS 16 HA LYS 16 -16.917 3.982 -5.252 110 HB2 LYS 16 2HB LYS 16 -19.019 4.111 -6.397 111 HB3 LYS 16 1HB LYS 16 -19.305 3.493 -4.782 112 HG2 LYS 16 2HG LYS 16 -20.122 5.687 -4.097 113 HG3 LYS 16 1HG LYS 16 -19.802 6.308 -5.716 114 HD2 LYS 16 2HD LYS 16 -21.375 4.667 -6.647 115 HD3 LYS 16 1HD LYS 16 -21.723 4.080 -5.023 116 HE2 LYS 16 2HE LYS 16 -23.470 5.604 -5.681 117 HE3 LYS 16 1HE LYS 16 -22.497 6.364 -4.428 118 HZ1 LYS 16 3HZ LYS 16 -23.027 7.876 -6.216 119 HZ2 LYS 16 1HZ LYS 16 -22.285 6.890 -7.339 120 HZ3 LYS 16 2HZ LYS 16 -21.370 7.672 -6.147 121 H ALA 17 H ALA 17 -17.404 7.162 -4.022 122 HA ALA 17 HA ALA 17 -17.415 8.652 -6.392 123 HB1 ALA 17 1HB ALA 17 -16.559 10.504 -5.031 124 HB2 ALA 17 2HB ALA 17 -16.154 9.369 -3.742 125 HB3 ALA 17 3HB ALA 17 -17.841 9.633 -4.189 126 H ALA 18 H ALA 18 -14.779 7.139 -4.643 127 HA ALA 18 HA ALA 18 -12.701 8.355 -6.193 128 HB1 ALA 18 1HB ALA 18 -12.333 7.620 -3.903 129 HB2 ALA 18 2HB ALA 18 -11.254 6.760 -5.006 130 HB3 ALA 18 3HB ALA 18 -12.700 5.963 -4.368 131 H TYR 19 H TYR 19 -14.466 5.351 -6.213 132 HA TYR 19 HA TYR 19 -12.968 4.123 -8.321 133 HB2 TYR 19 2HB TYR 19 -14.047 2.397 -7.371 134 HB3 TYR 19 1HB TYR 19 -15.231 3.466 -6.644 135 HD1 TYR 19 2HD TYR 19 -14.352 1.626 -9.734 136 HD2 TYR 19 1HD TYR 19 -17.424 3.537 -7.537 137 HE1 TYR 19 2HE TYR 19 -16.036 0.743 -11.328 138 HE2 TYR 19 1HE TYR 19 -19.109 2.678 -9.096 139 HH TYR 19 HH TYR 19 -19.219 1.907 -11.395 140 H ASP 20 H ASP 20 -15.785 6.081 -8.138 141 HA ASP 20 HA ASP 20 -16.775 5.909 -10.731 142 HB2 ASP 20 2HB ASP 20 -17.946 6.987 -8.861 143 HB3 ASP 20 1HB ASP 20 -16.767 8.286 -8.860 144 H ALA 21 H ALA 21 -14.030 7.587 -9.509 145 HA ALA 21 HA ALA 21 -13.521 9.364 -11.631 146 HB1 ALA 21 1HB ALA 21 -12.471 9.553 -9.424 147 HB2 ALA 21 2HB ALA 21 -11.265 9.504 -10.717 148 HB3 ALA 21 3HB ALA 21 -11.574 8.067 -9.739 149 H GLY 22 H GLY 22 -13.067 5.923 -11.352 150 HA2 GLY 22 2HA GLY 22 -12.887 5.200 -13.860 151 HA3 GLY 22 1HA GLY 22 -11.299 5.925 -13.702 152 H ALA 23 H ALA 23 -12.589 4.322 -10.950 153 HA ALA 23 HA ALA 23 -11.905 2.540 -9.707 154 HB1 ALA 23 1HB ALA 23 -11.934 0.385 -10.841 155 HB2 ALA 23 2HB ALA 23 -11.732 1.179 -12.401 156 HB3 ALA 23 3HB ALA 23 -13.220 1.410 -11.487 157 H ILE 24 H ILE 24 -9.848 4.325 -10.674 158 HA ILE 24 HA ILE 24 -7.590 3.100 -11.732 159 HB ILE 24 HB ILE 24 -7.599 5.512 -9.914 160 HG12 ILE 24 2HG1 ILE 24 -7.932 5.394 -12.930 161 HG13 ILE 24 1HG1 ILE 24 -9.240 5.699 -11.796 162 HG21 ILE 24 1HG2 ILE 24 -5.687 4.619 -12.082 163 HG22 ILE 24 2HG2 ILE 24 -5.369 4.613 -10.346 164 HG23 ILE 24 3HG2 ILE 24 -5.593 6.139 -11.199 165 HD11 ILE 24 3HD1 ILE 24 -8.141 7.757 -11.078 166 HD12 ILE 24 1HD1 ILE 24 -8.443 7.756 -12.815 167 HD13 ILE 24 2HD1 ILE 24 -6.817 7.444 -12.198 168 H TYR 25 H TYR 25 -7.858 4.135 -8.381 169 HA TYR 25 HA TYR 25 -6.798 1.824 -7.129 170 HB2 TYR 25 2HB TYR 25 -4.536 2.090 -7.323 171 HB3 TYR 25 1HB TYR 25 -4.861 3.243 -8.587 172 HD1 TYR 25 2HD TYR 25 -4.107 2.788 -5.096 173 HD2 TYR 25 1HD TYR 25 -4.487 5.593 -8.236 174 HE1 TYR 25 2HE TYR 25 -3.042 4.381 -3.726 175 HE2 TYR 25 1HE TYR 25 -3.369 7.295 -6.878 176 HH TYR 25 HH TYR 25 -2.749 7.828 -4.610 177 H GLY 26 H GLY 26 -6.606 2.125 -4.944 178 HA2 GLY 26 2HA GLY 26 -7.795 4.639 -4.010 179 HA3 GLY 26 1HA GLY 26 -8.202 3.054 -3.346 180 H GLY 27 H GLY 27 -6.731 5.619 -2.440 181 HA2 GLY 27 2HA GLY 27 -4.222 4.392 -1.565 182 HA3 GLY 27 1HA GLY 27 -4.581 6.116 -1.532 183 H LEU 28 H LEU 28 -5.004 3.078 0.036 184 HA LEU 28 HA LEU 28 -6.029 4.466 2.362 185 HB2 LEU 28 2HB LEU 28 -7.464 2.592 2.930 186 HB3 LEU 28 1HB LEU 28 -7.895 3.204 1.362 187 HG LEU 28 HG LEU 28 -8.184 0.882 1.275 188 HD11 LEU 28 1HD1 LEU 28 -7.248 1.601 -0.748 189 HD12 LEU 28 2HD1 LEU 28 -6.555 0.013 -0.354 190 HD13 LEU 28 3HD1 LEU 28 -5.616 1.466 -0.104 191 HD21 LEU 28 3HD2 LEU 28 -6.922 0.213 3.255 192 HD22 LEU 28 1HD2 LEU 28 -5.413 0.445 2.376 193 HD23 LEU 28 2HD2 LEU 28 -6.531 -0.821 1.873 194 H ILE 29 H ILE 29 -5.317 3.699 4.253 195 HA ILE 29 HA ILE 29 -3.167 1.747 4.007 196 HB ILE 29 HB ILE 29 -2.359 2.765 6.246 197 HG12 ILE 29 2HG1 ILE 29 -3.635 5.141 4.860 198 HG13 ILE 29 1HG1 ILE 29 -4.146 4.479 6.410 199 HG21 ILE 29 1HG2 ILE 29 -1.319 2.351 4.217 200 HG22 ILE 29 2HG2 ILE 29 -0.789 3.916 4.882 201 HG23 ILE 29 3HG2 ILE 29 -1.938 3.837 3.518 202 HD11 ILE 29 3HD1 ILE 29 -2.807 6.484 6.702 203 HD12 ILE 29 1HD1 ILE 29 -1.474 5.741 5.819 204 HD13 ILE 29 2HD1 ILE 29 -1.980 5.080 7.375 205 H PHE 30 H PHE 30 -2.674 0.550 5.882 206 HA PHE 30 HA PHE 30 -5.181 -0.597 6.842 207 HB2 PHE 30 2HB PHE 30 -2.420 -1.670 7.412 208 HB3 PHE 30 1HB PHE 30 -3.968 -2.467 7.617 209 HD1 PHE 30 1HD PHE 30 -5.161 -3.429 5.693 210 HD2 PHE 30 2HD PHE 30 -1.365 -1.480 5.309 211 HE1 PHE 30 1HE PHE 30 -4.825 -4.451 3.421 212 HE2 PHE 30 2HE PHE 30 -1.053 -2.452 3.163 213 HZ PHE 30 HZ PHE 30 -2.716 -3.886 2.166 214 H VAL 31 H VAL 31 -5.722 1.100 8.414 215 HA VAL 31 HA VAL 31 -4.325 0.404 10.874 216 HB VAL 31 HB VAL 31 -5.751 3.053 10.419 217 HG11 VAL 31 1HG1 VAL 31 -4.913 3.642 12.629 218 HG12 VAL 31 2HG1 VAL 31 -4.154 2.045 12.742 219 HG13 VAL 31 3HG1 VAL 31 -5.907 2.170 12.678 220 HG21 VAL 31 3HG2 VAL 31 -3.626 2.925 9.205 221 HG22 VAL 31 1HG2 VAL 31 -2.794 2.470 10.692 222 HG23 VAL 31 2HG2 VAL 31 -3.527 4.074 10.544 223 H ALA 32 H ALA 32 -5.427 -0.716 12.157 224 HA ALA 32 HA ALA 32 -7.886 -1.781 11.502 225 HB1 ALA 32 1HB ALA 32 -7.799 -2.913 13.625 226 HB2 ALA 32 2HB ALA 32 -6.554 -1.801 14.191 227 HB3 ALA 32 3HB ALA 32 -6.208 -2.911 12.864 228 H THR 33 H THR 33 -9.644 -0.800 11.423 229 HA THR 33 HA THR 33 -11.599 0.107 11.961 230 HB THR 33 HB THR 33 -12.364 0.138 14.352 231 HG1 THR 33 1HG THR 33 -9.702 -0.004 14.779 232 HG21 THR 33 3HG2 THR 33 -12.603 -1.873 12.980 233 HG22 THR 33 1HG2 THR 33 -12.246 -2.306 14.656 234 HG23 THR 33 2HG2 THR 33 -10.973 -2.375 13.438 235 H SER 34 H SER 34 -9.261 1.859 11.646 236 HA SER 34 HA SER 34 -10.019 4.177 13.212 237 HB2 SER 34 2HB SER 34 -8.173 5.271 11.996 238 HB3 SER 34 1HB SER 34 -7.643 3.768 12.749 239 HG SER 34 HG SER 34 -7.755 2.756 10.746 240 HA PRO 35 HA PRO 35 -12.623 5.528 9.876 241 HB2 PRO 35 2HB PRO 35 -13.236 7.982 10.720 242 HB3 PRO 35 1HB PRO 35 -13.801 6.549 11.595 243 HG2 PRO 35 2HG PRO 35 -11.631 8.462 12.293 244 HG3 PRO 35 1HG PRO 35 -12.692 7.537 13.362 245 HD2 PRO 35 2HD PRO 35 -10.035 6.911 12.634 246 HD3 PRO 35 1HD PRO 35 -11.174 5.864 13.506 247 H ARG 36 H ARG 36 -9.631 6.254 10.073 248 HA ARG 36 HA ARG 36 -9.678 8.293 7.944 249 HB2 ARG 36 2HB ARG 36 -7.438 8.982 8.683 250 HB3 ARG 36 1HB ARG 36 -8.629 9.154 9.964 251 HG2 ARG 36 2HG ARG 36 -7.849 7.141 11.026 252 HG3 ARG 36 1HG ARG 36 -6.714 6.849 9.705 253 HD2 ARG 36 2HD ARG 36 -5.621 8.990 10.251 254 HD3 ARG 36 1HD ARG 36 -6.695 9.153 11.642 255 HE ARG 36 HE ARG 36 -5.644 6.818 12.191 256 HH11 ARG 36 1HH1 ARG 36 -4.017 9.706 10.978 257 HH12 ARG 36 2HH1 ARG 36 -2.500 9.304 11.622 258 HH21 ARG 36 1HH2 ARG 36 -3.570 6.261 13.124 259 HH22 ARG 36 2HH2 ARG 36 -2.253 7.311 12.890 260 H CYS 37 H CYS 37 -9.149 5.064 8.594 261 HA CYS 37 HA CYS 37 -7.551 4.707 6.220 262 HB2 CYS 37 2HB CYS 37 -6.824 3.563 8.906 263 HB3 CYS 37 1HB CYS 37 -5.974 3.246 7.398 264 HG CYS 37 HG CYS 37 -5.907 6.427 7.618 265 H VAL 38 H VAL 38 -7.429 2.128 5.935 266 HA VAL 38 HA VAL 38 -9.816 0.871 7.030 267 HB VAL 38 HB VAL 38 -9.574 1.873 4.263 268 HG11 VAL 38 1HG1 VAL 38 -10.267 -1.051 4.592 269 HG12 VAL 38 2HG1 VAL 38 -8.882 -0.409 3.718 270 HG13 VAL 38 3HG1 VAL 38 -10.514 -0.096 3.129 271 HG21 VAL 38 3HG2 VAL 38 -11.476 2.249 5.787 272 HG22 VAL 38 1HG2 VAL 38 -11.814 0.521 5.712 273 HG23 VAL 38 2HG2 VAL 38 -11.968 1.507 4.254 274 H ASN 39 H ASN 39 -9.595 -1.119 7.313 275 HA ASN 39 HA ASN 39 -6.998 -2.343 6.721 276 HB2 ASN 39 2HB ASN 39 -7.687 -3.911 8.589 277 HB3 ASN 39 1HB ASN 39 -7.256 -2.279 9.077 278 HD21 ASN 39 1HD2 ASN 39 -9.633 -4.596 8.804 279 HD22 ASN 39 2HD2 ASN 39 -10.976 -3.780 9.561 280 H VAL 40 H VAL 40 -7.096 -4.670 6.450 281 HA VAL 40 HA VAL 40 -8.339 -5.178 4.060 282 HB VAL 40 HB VAL 40 -6.377 -6.402 5.063 283 HG11 VAL 40 1HG1 VAL 40 -8.441 -8.067 6.454 284 HG12 VAL 40 2HG1 VAL 40 -7.240 -7.026 7.206 285 HG13 VAL 40 3HG1 VAL 40 -6.728 -8.459 6.312 286 HG21 VAL 40 3HG2 VAL 40 -8.541 -7.970 3.714 287 HG22 VAL 40 1HG2 VAL 40 -6.905 -8.582 4.016 288 HG23 VAL 40 2HG2 VAL 40 -7.115 -7.151 3.034 289 H GLU 41 H GLU 41 -9.543 -5.792 7.312 290 HA GLU 41 HA GLU 41 -11.628 -7.466 6.672 291 HB2 GLU 41 2HB GLU 41 -11.108 -5.622 8.913 292 HB3 GLU 41 1HB GLU 41 -12.359 -6.882 8.948 293 HG2 GLU 41 2HG GLU 41 -10.748 -8.127 9.885 294 HG3 GLU 41 1HG GLU 41 -10.118 -8.260 8.264 295 H GLN 42 H GLN 42 -11.472 -3.843 7.040 296 HA GLN 42 HA GLN 42 -14.216 -3.327 6.603 297 HB2 GLN 42 2HB GLN 42 -11.851 -1.749 5.653 298 HB3 GLN 42 1HB GLN 42 -13.475 -1.085 5.920 299 HG2 GLN 42 2HG GLN 42 -11.283 -1.899 7.762 300 HG3 GLN 42 1HG GLN 42 -11.985 -0.306 7.541 301 HE21 GLN 42 1HE2 GLN 42 -11.507 -1.693 9.819 302 HE22 GLN 42 2HE2 GLN 42 -13.035 -1.979 10.568 303 H ALA 43 H ALA 43 -11.399 -3.525 4.628 304 HA ALA 43 HA ALA 43 -12.301 -2.429 2.272 305 HB1 ALA 43 1HB ALA 43 -10.264 -3.241 1.326 306 HB2 ALA 43 2HB ALA 43 -10.073 -4.353 2.681 307 HB3 ALA 43 3HB ALA 43 -9.987 -2.612 2.955 308 H GLN 44 H GLN 44 -12.437 -5.842 3.315 309 HA GLN 44 HA GLN 44 -12.670 -6.844 0.849 310 HB2 GLN 44 2HB GLN 44 -13.861 -8.541 1.961 311 HB3 GLN 44 1HB GLN 44 -12.148 -8.354 2.331 312 HG2 GLN 44 2HG GLN 44 -13.435 -6.979 4.341 313 HG3 GLN 44 1HG GLN 44 -14.584 -8.285 4.002 314 HE21 GLN 44 1HE2 GLN 44 -11.170 -8.321 3.550 315 HE22 GLN 44 2HE2 GLN 44 -10.796 -9.570 4.617 316 H GLU 45 H GLU 45 -14.953 -5.502 2.958 317 HA GLU 45 HA GLU 45 -17.308 -6.240 1.415 318 HB2 GLU 45 2HB GLU 45 -16.975 -4.206 3.616 319 HB3 GLU 45 1HB GLU 45 -18.512 -4.647 2.894 320 HG2 GLU 45 2HG GLU 45 -18.205 -6.962 3.648 321 HG3 GLU 45 1HG GLU 45 -16.698 -6.489 4.425 322 H VAL 46 H VAL 46 -15.229 -3.526 1.826 323 HA VAL 46 HA VAL 46 -16.668 -1.618 0.345 324 HB VAL 46 HB VAL 46 -13.683 -1.713 0.891 325 HG11 VAL 46 1HG1 VAL 46 -13.754 0.692 0.708 326 HG12 VAL 46 2HG1 VAL 46 -15.469 0.617 0.277 327 HG13 VAL 46 3HG1 VAL 46 -14.247 -0.076 -0.810 328 HG21 VAL 46 3HG2 VAL 46 -15.895 -0.471 2.514 329 HG22 VAL 46 1HG2 VAL 46 -14.169 -0.301 2.830 330 HG23 VAL 46 2HG2 VAL 46 -14.936 -1.883 2.956 331 H MET 47 H MET 47 -14.322 -4.062 -0.601 332 HA MET 47 HA MET 47 -13.842 -3.077 -3.211 333 HB2 MET 47 2HB MET 47 -12.812 -5.214 -3.749 334 HB3 MET 47 1HB MET 47 -12.358 -4.730 -2.121 335 HG2 MET 47 2HG MET 47 -13.960 -6.297 -1.196 336 HG3 MET 47 1HG MET 47 -14.450 -6.767 -2.822 337 HE1 MET 47 3HE MET 47 -14.024 -9.313 -2.095 338 HE2 MET 47 1HE MET 47 -13.477 -8.795 -0.504 339 HE3 MET 47 2HE MET 47 -12.490 -9.905 -1.457 340 H ALA 48 H ALA 48 -16.543 -4.640 -1.932 341 HA ALA 48 HA ALA 48 -17.496 -5.415 -4.575 342 HB1 ALA 48 1HB ALA 48 -17.875 -7.001 -2.771 343 HB2 ALA 48 2HB ALA 48 -19.424 -6.366 -3.335 344 HB3 ALA 48 3HB ALA 48 -18.717 -5.775 -1.832 345 H ALA 49 H ALA 49 -17.327 -2.719 -2.734 346 HA ALA 49 HA ALA 49 -19.924 -1.653 -3.557 347 HB1 ALA 49 1HB ALA 49 -19.360 -1.431 -1.167 348 HB2 ALA 49 2HB ALA 49 -19.512 0.136 -1.958 349 HB3 ALA 49 3HB ALA 49 -17.916 -0.518 -1.607 350 H ALA 50 H ALA 50 -16.374 -1.020 -3.730 351 HA ALA 50 HA ALA 50 -16.895 0.533 -6.079 352 HB1 ALA 50 1HB ALA 50 -15.100 1.260 -3.752 353 HB2 ALA 50 2HB ALA 50 -16.542 2.136 -4.271 354 HB3 ALA 50 3HB ALA 50 -15.118 2.085 -5.306 355 HA PRO 51 HA PRO 51 -13.901 -2.833 -6.811 356 HB2 PRO 51 2HB PRO 51 -14.283 -2.936 -9.517 357 HB3 PRO 51 1HB PRO 51 -15.315 -3.777 -8.356 358 HG2 PRO 51 2HG PRO 51 -15.784 -1.219 -9.809 359 HG3 PRO 51 1HG PRO 51 -16.931 -2.500 -9.391 360 HD2 PRO 51 2HD PRO 51 -16.710 -0.138 -8.039 361 HD3 PRO 51 1HD PRO 51 -17.303 -1.632 -7.297 362 H LEU 52 H LEU 52 -12.733 -0.642 -6.231 363 HA LEU 52 HA LEU 52 -11.040 0.127 -8.486 364 HB2 LEU 52 2HB LEU 52 -10.164 1.760 -6.658 365 HB3 LEU 52 1HB LEU 52 -11.611 2.199 -7.524 366 HG LEU 52 HG LEU 52 -12.820 1.083 -5.484 367 HD11 LEU 52 1HD1 LEU 52 -10.932 0.003 -4.495 368 HD12 LEU 52 2HD1 LEU 52 -11.683 1.141 -3.389 369 HD13 LEU 52 3HD1 LEU 52 -10.160 1.566 -4.189 370 HD21 LEU 52 3HD2 LEU 52 -12.658 3.151 -4.141 371 HD22 LEU 52 1HD2 LEU 52 -13.026 3.410 -5.843 372 HD23 LEU 52 2HD2 LEU 52 -11.392 3.717 -5.236 373 H GLN 53 H GLN 53 -8.661 0.311 -7.950 374 HA GLN 53 HA GLN 53 -7.760 -2.185 -6.920 375 HB2 GLN 53 2HB GLN 53 -6.274 -1.608 -8.539 376 HB3 GLN 53 1HB GLN 53 -6.683 0.097 -8.394 377 HG2 GLN 53 2HG GLN 53 -5.252 0.313 -6.495 378 HG3 GLN 53 1HG GLN 53 -4.844 -1.393 -6.562 379 HE21 GLN 53 1HE2 GLN 53 -2.653 -0.719 -6.732 380 HE22 GLN 53 2HE2 GLN 53 -2.019 -0.155 -8.250 381 H TYR 54 H TYR 54 -6.570 -2.572 -5.053 382 HA TYR 54 HA TYR 54 -6.553 -0.376 -3.131 383 HB2 TYR 54 2HB TYR 54 -6.812 -3.351 -2.647 384 HB3 TYR 54 1HB TYR 54 -6.560 -2.169 -1.371 385 HD1 TYR 54 1HD TYR 54 -8.345 -0.617 -0.751 386 HD2 TYR 54 2HD TYR 54 -8.952 -3.578 -3.741 387 HE1 TYR 54 1HE TYR 54 -10.749 -0.258 -0.599 388 HE2 TYR 54 2HE TYR 54 -11.372 -3.216 -3.593 389 HH TYR 54 HH TYR 54 -12.724 -0.566 -2.102 390 H VAL 55 H VAL 55 -4.743 0.026 -2.004 391 HA VAL 55 HA VAL 55 -2.426 -1.586 -2.624 392 HB VAL 55 HB VAL 55 -2.444 0.396 -4.142 393 HG11 VAL 55 1HG1 VAL 55 -2.310 2.003 -1.608 394 HG12 VAL 55 2HG1 VAL 55 -3.621 2.007 -2.789 395 HG13 VAL 55 3HG1 VAL 55 -2.028 2.631 -3.227 396 HG21 VAL 55 3HG2 VAL 55 -0.342 -0.602 -3.384 397 HG22 VAL 55 1HG2 VAL 55 -0.297 0.542 -2.055 398 HG23 VAL 55 2HG2 VAL 55 -0.178 1.123 -3.721 399 H GLY 56 H GLY 56 -1.025 -1.713 -0.969 400 HA2 GLY 56 2HA GLY 56 -1.818 -0.413 1.615 401 HA3 GLY 56 1HA GLY 56 -0.940 -1.967 1.393 402 H VAL 57 H VAL 57 -0.568 0.878 2.553 403 HA VAL 57 HA VAL 57 2.204 0.980 1.661 404 HB VAL 57 HB VAL 57 0.909 2.481 0.233 405 HG11 VAL 57 1HG1 VAL 57 0.076 4.012 2.595 406 HG12 VAL 57 2HG1 VAL 57 -0.914 3.084 1.469 407 HG13 VAL 57 3HG1 VAL 57 -0.079 4.541 0.919 408 HG21 VAL 57 3HG2 VAL 57 3.242 3.113 0.604 409 HG22 VAL 57 1HG2 VAL 57 2.775 3.963 2.075 410 HG23 VAL 57 2HG2 VAL 57 2.249 4.560 0.500 411 H PHE 58 H PHE 58 3.231 0.604 3.535 412 HA PHE 58 HA PHE 58 2.897 2.405 5.765 413 HB2 PHE 58 2HB PHE 58 0.855 0.780 5.745 414 HB3 PHE 58 1HB PHE 58 2.003 -0.464 6.185 415 HD1 PHE 58 2HD PHE 58 0.517 2.745 7.268 416 HD2 PHE 58 1HD PHE 58 2.596 -0.770 8.456 417 HE1 PHE 58 2HE PHE 58 0.136 3.325 9.627 418 HE2 PHE 58 1HE PHE 58 2.217 -0.202 10.815 419 HZ PHE 58 HZ PHE 58 0.986 1.850 11.407 420 H ARG 59 H ARG 59 4.214 1.351 7.664 421 HA ARG 59 HA ARG 59 6.507 0.013 6.548 422 HB2 ARG 59 2HB ARG 59 5.826 0.897 9.358 423 HB3 ARG 59 1HB ARG 59 7.302 0.048 8.943 424 HG2 ARG 59 2HG ARG 59 8.014 1.903 7.554 425 HG3 ARG 59 1HG ARG 59 6.494 2.749 7.865 426 HD2 ARG 59 2HD ARG 59 8.358 3.547 9.289 427 HD3 ARG 59 1HD ARG 59 7.012 2.887 10.222 428 HE ARG 59 HE ARG 59 9.331 1.192 9.582 429 HH11 ARG 59 1HH1 ARG 59 7.477 2.909 12.060 430 HH12 ARG 59 2HH1 ARG 59 8.054 1.933 13.337 431 HH21 ARG 59 1HH2 ARG 59 10.064 -0.111 11.263 432 HH22 ARG 59 2HH2 ARG 59 9.617 0.186 12.900 433 H ASN 60 H ASN 60 5.770 -1.969 5.940 434 HA ASN 60 HA ASN 60 4.247 -3.492 7.775 435 HB2 ASN 60 2HB ASN 60 5.120 -3.980 4.922 436 HB3 ASN 60 1HB ASN 60 4.301 -5.195 5.896 437 HD21 ASN 60 1HD2 ASN 60 2.141 -4.827 6.516 438 HD22 ASN 60 2HD2 ASN 60 1.138 -3.719 5.664 439 H HIS 61 H HIS 61 5.092 -4.535 8.982 440 HA HIS 61 HA HIS 61 7.972 -4.914 9.120 441 HB2 HIS 61 2HB HIS 61 5.901 -5.755 11.157 442 HB3 HIS 61 1HB HIS 61 7.639 -5.652 11.417 443 HD1 HIS 61 1HD HIS 61 4.663 -3.772 12.061 444 HD2 HIS 61 2HD HIS 61 8.521 -2.818 10.859 445 HE1 HIS 61 1HE HIS 61 4.976 -1.345 12.602 446 H ASP 62 H ASP 62 5.246 -7.127 9.669 447 HA ASP 62 HA ASP 62 7.039 -9.306 9.034 448 HB2 ASP 62 2HB ASP 62 5.548 -9.512 11.005 449 HB3 ASP 62 1HB ASP 62 4.162 -9.486 9.928 450 H ILE 63 H ILE 63 7.168 -10.230 7.224 451 HA ILE 63 HA ILE 63 5.693 -9.451 4.964 452 HB ILE 63 HB ILE 63 8.009 -10.287 4.783 453 HG12 ILE 63 2HG1 ILE 63 6.171 -12.167 3.304 454 HG13 ILE 63 1HG1 ILE 63 6.385 -10.484 2.862 455 HG21 ILE 63 1HG2 ILE 63 8.543 -12.667 4.998 456 HG22 ILE 63 2HG2 ILE 63 6.887 -12.980 5.524 457 HG23 ILE 63 3HG2 ILE 63 7.950 -11.998 6.522 458 HD11 ILE 63 3HD1 ILE 63 7.765 -11.962 1.475 459 HD12 ILE 63 1HD1 ILE 63 8.548 -12.594 2.917 460 HD13 ILE 63 2HD1 ILE 63 8.772 -10.912 2.447 461 H ALA 64 H ALA 64 5.309 -12.010 7.263 462 HA ALA 64 HA ALA 64 3.474 -13.545 5.687 463 HB1 ALA 64 1HB ALA 64 3.928 -13.569 8.675 464 HB2 ALA 64 2HB ALA 64 4.764 -14.580 7.494 465 HB3 ALA 64 3HB ALA 64 3.033 -14.783 7.762 466 H ASP 65 H ASP 65 3.259 -10.741 7.506 467 HA ASP 65 HA ASP 65 0.401 -10.970 8.050 468 HB2 ASP 65 2HB ASP 65 1.674 -9.878 9.771 469 HB3 ASP 65 1HB ASP 65 2.364 -8.751 8.611 470 H VAL 66 H VAL 66 2.598 -9.213 5.980 471 HA VAL 66 HA VAL 66 0.454 -7.734 4.837 472 HB VAL 66 HB VAL 66 2.718 -6.750 5.033 473 HG11 VAL 66 1HG1 VAL 66 3.552 -8.641 2.881 474 HG12 VAL 66 2HG1 VAL 66 4.018 -8.660 4.582 475 HG13 VAL 66 3HG1 VAL 66 4.505 -7.306 3.561 476 HG21 VAL 66 3HG2 VAL 66 1.745 -6.900 2.187 477 HG22 VAL 66 1HG2 VAL 66 2.819 -5.679 2.876 478 HG23 VAL 66 2HG2 VAL 66 1.151 -5.803 3.443 479 H VAL 67 H VAL 67 2.207 -10.683 3.986 480 HA VAL 67 HA VAL 67 1.123 -11.069 1.410 481 HB VAL 67 HB VAL 67 1.764 -13.199 3.509 482 HG11 VAL 67 1HG1 VAL 67 1.827 -14.802 1.651 483 HG12 VAL 67 2HG1 VAL 67 1.314 -13.536 0.537 484 HG13 VAL 67 3HG1 VAL 67 0.223 -14.081 1.812 485 HG21 VAL 67 3HG2 VAL 67 3.813 -13.541 2.256 486 HG22 VAL 67 1HG2 VAL 67 3.699 -11.878 2.829 487 HG23 VAL 67 2HG2 VAL 67 3.355 -12.259 1.138 488 H ASP 68 H ASP 68 -0.062 -11.744 4.588 489 HA ASP 68 HA ASP 68 -2.427 -13.072 4.089 490 HB2 ASP 68 2HB ASP 68 -1.597 -12.852 6.319 491 HB3 ASP 68 1HB ASP 68 -1.683 -11.102 6.239 492 H LYS 69 H LYS 69 -1.912 -9.593 4.306 493 HA LYS 69 HA LYS 69 -4.667 -8.901 3.839 494 HB2 LYS 69 2HB LYS 69 -2.264 -7.142 3.339 495 HB3 LYS 69 1HB LYS 69 -3.898 -6.628 3.726 496 HG2 LYS 69 2HG LYS 69 -2.016 -8.067 5.582 497 HG3 LYS 69 1HG LYS 69 -2.372 -6.341 5.602 498 HD2 LYS 69 2HD LYS 69 -4.651 -6.763 6.204 499 HD3 LYS 69 1HD LYS 69 -4.428 -8.502 5.982 500 HE2 LYS 69 2HE LYS 69 -2.991 -6.813 8.014 501 HE3 LYS 69 1HE LYS 69 -4.411 -7.804 8.338 502 HZ1 LYS 69 3HZ LYS 69 -1.864 -8.875 7.275 503 HZ2 LYS 69 1HZ LYS 69 -3.205 -9.767 7.748 504 HZ3 LYS 69 2HZ LYS 69 -2.239 -8.919 8.894 505 H ALA 70 H ALA 70 -1.780 -9.057 1.822 506 HA ALA 70 HA ALA 70 -2.936 -8.074 -0.556 507 HB1 ALA 70 1HB ALA 70 -0.517 -8.167 -0.095 508 HB2 ALA 70 2HB ALA 70 -0.966 -8.897 -1.629 509 HB3 ALA 70 3HB ALA 70 -0.585 -9.925 -0.244 510 H LYS 71 H LYS 71 -2.963 -11.116 0.981 511 HA LYS 71 HA LYS 71 -3.905 -12.633 -1.268 512 HB2 LYS 71 2HB LYS 71 -2.587 -13.722 0.420 513 HB3 LYS 71 1HB LYS 71 -3.683 -13.161 1.673 514 HG2 LYS 71 2HG LYS 71 -5.450 -14.535 0.668 515 HG3 LYS 71 1HG LYS 71 -4.268 -15.192 -0.461 516 HD2 LYS 71 2HD LYS 71 -4.510 -16.734 1.414 517 HD3 LYS 71 1HD LYS 71 -2.908 -15.996 1.465 518 HE2 LYS 71 2HE LYS 71 -3.733 -14.397 3.175 519 HE3 LYS 71 1HE LYS 71 -5.305 -15.187 3.121 520 HZ1 LYS 71 3HZ LYS 71 -2.749 -16.433 3.966 521 HZ2 LYS 71 1HZ LYS 71 -4.240 -17.221 3.914 522 HZ3 LYS 71 2HZ LYS 71 -4.009 -15.955 4.972 523 H VAL 72 H VAL 72 -5.269 -11.759 1.901 524 HA VAL 72 HA VAL 72 -7.843 -12.711 1.491 525 HB VAL 72 HB VAL 72 -7.022 -10.412 3.277 526 HG11 VAL 72 1HG1 VAL 72 -9.005 -10.952 4.597 527 HG12 VAL 72 2HG1 VAL 72 -9.474 -12.163 3.396 528 HG13 VAL 72 3HG1 VAL 72 -9.424 -10.451 2.957 529 HG21 VAL 72 3HG2 VAL 72 -5.764 -12.370 3.815 530 HG22 VAL 72 1HG2 VAL 72 -7.230 -13.365 3.863 531 HG23 VAL 72 2HG2 VAL 72 -6.970 -12.091 5.064 532 H LEU 73 H LEU 73 -6.804 -9.240 1.240 533 HA LEU 73 HA LEU 73 -9.341 -8.639 0.055 534 HB2 LEU 73 2HB LEU 73 -8.264 -7.147 1.549 535 HB3 LEU 73 1HB LEU 73 -6.841 -7.038 0.522 536 HG LEU 73 HG LEU 73 -8.284 -5.919 -1.166 537 HD11 LEU 73 1HD1 LEU 73 -10.325 -6.038 1.058 538 HD12 LEU 73 2HD1 LEU 73 -10.430 -6.878 -0.473 539 HD13 LEU 73 3HD1 LEU 73 -10.489 -5.118 -0.433 540 HD21 LEU 73 3HD2 LEU 73 -8.422 -3.811 0.112 541 HD22 LEU 73 1HD2 LEU 73 -6.895 -4.664 0.365 542 HD23 LEU 73 2HD2 LEU 73 -8.139 -4.730 1.599 543 H SER 74 H SER 74 -6.349 -9.776 -0.994 544 HA SER 74 HA SER 74 -5.170 -9.806 -2.843 545 HB2 SER 74 2HB SER 74 -7.246 -10.998 -3.654 546 HB3 SER 74 1HB SER 74 -7.800 -9.461 -4.317 547 HG SER 74 HG SER 74 -6.803 -10.703 -5.861 548 H LEU 75 H LEU 75 -4.091 -7.962 -2.335 549 HA LEU 75 HA LEU 75 -4.897 -5.394 -3.227 550 HB2 LEU 75 2HB LEU 75 -2.271 -6.475 -2.262 551 HB3 LEU 75 1HB LEU 75 -2.615 -4.782 -2.546 552 HG LEU 75 HG LEU 75 -4.147 -6.452 -0.571 553 HD11 LEU 75 1HD1 LEU 75 -1.795 -6.367 -0.043 554 HD12 LEU 75 2HD1 LEU 75 -2.783 -5.514 1.130 555 HD13 LEU 75 3HD1 LEU 75 -1.822 -4.594 -0.061 556 HD21 LEU 75 3HD2 LEU 75 -5.270 -4.476 -1.405 557 HD22 LEU 75 1HD2 LEU 75 -3.881 -3.481 -0.985 558 HD23 LEU 75 2HD2 LEU 75 -4.811 -4.271 0.290 559 H ALA 76 H ALA 76 -3.183 -4.183 -4.475 560 HA ALA 76 HA ALA 76 -2.582 -5.741 -6.879 561 HB1 ALA 76 1HB ALA 76 -3.348 -2.833 -6.685 562 HB2 ALA 76 2HB ALA 76 -4.390 -4.132 -7.273 563 HB3 ALA 76 3HB ALA 76 -2.938 -3.687 -8.172 564 H ALA 77 H ALA 77 -1.636 -3.269 -4.580 565 HA ALA 77 HA ALA 77 1.094 -3.927 -5.152 566 HB1 ALA 77 1HB ALA 77 0.030 -1.125 -5.263 567 HB2 ALA 77 2HB ALA 77 0.702 -2.050 -6.602 568 HB3 ALA 77 3HB ALA 77 1.726 -1.570 -5.251 569 H VAL 78 H VAL 78 2.486 -3.151 -3.554 570 HA VAL 78 HA VAL 78 1.386 -2.137 -1.058 571 HB VAL 78 HB VAL 78 1.406 -4.561 -0.745 572 HG11 VAL 78 1HG1 VAL 78 2.948 -5.278 -2.428 573 HG12 VAL 78 2HG1 VAL 78 3.673 -5.779 -0.882 574 HG13 VAL 78 3HG1 VAL 78 4.231 -4.319 -1.726 575 HG21 VAL 78 3HG2 VAL 78 3.005 -4.737 1.145 576 HG22 VAL 78 1HG2 VAL 78 2.041 -3.254 1.190 577 HG23 VAL 78 2HG2 VAL 78 3.712 -3.202 0.636 578 H GLN 79 H GLN 79 2.893 -0.721 -0.060 579 HA GLN 79 HA GLN 79 5.287 -0.303 -1.597 580 HB2 GLN 79 2HB GLN 79 3.480 1.316 0.018 581 HB3 GLN 79 1HB GLN 79 5.152 1.821 -0.035 582 HG2 GLN 79 2HG GLN 79 4.046 3.031 -1.705 583 HG3 GLN 79 1HG GLN 79 4.902 1.749 -2.553 584 HE21 GLN 79 1HE2 GLN 79 3.658 -0.088 -3.310 585 HE22 GLN 79 2HE2 GLN 79 1.977 0.138 -3.620 586 H LEU 80 H LEU 80 7.089 -0.946 -0.773 587 HA LEU 80 HA LEU 80 7.099 -1.529 2.065 588 HB2 LEU 80 2HB LEU 80 8.848 -2.574 -0.137 589 HB3 LEU 80 1HB LEU 80 9.260 -2.753 1.552 590 HG LEU 80 HG LEU 80 8.360 -4.767 0.861 591 HD11 LEU 80 1HD1 LEU 80 6.381 -5.073 2.262 592 HD12 LEU 80 2HD1 LEU 80 6.172 -3.332 2.352 593 HD13 LEU 80 3HD1 LEU 80 7.604 -4.083 3.057 594 HD21 LEU 80 3HD2 LEU 80 6.104 -5.017 -0.164 595 HD22 LEU 80 1HD2 LEU 80 7.262 -4.155 -1.179 596 HD23 LEU 80 2HD2 LEU 80 6.024 -3.261 -0.298 597 H HIS 81 H HIS 81 7.952 -0.252 3.310 598 HA HIS 81 HA HIS 81 9.700 1.785 2.342 599 HB2 HIS 81 2HB HIS 81 8.572 1.198 5.085 600 HB3 HIS 81 1HB HIS 81 9.735 2.485 4.786 601 HD1 HIS 81 1HD HIS 81 6.087 1.635 4.339 602 HD2 HIS 81 2HD HIS 81 8.764 4.652 3.307 603 HE1 HIS 81 1HE HIS 81 4.699 3.582 3.604 604 H GLY 82 H GLY 82 11.545 1.086 1.794 605 HA2 GLY 82 2HA GLY 82 13.093 -1.014 2.739 606 HA3 GLY 82 1HA GLY 82 13.760 0.403 1.940 607 H ASN 83 H ASN 83 12.470 1.787 4.378 608 HA ASN 83 HA ASN 83 14.672 2.228 5.988 609 HB2 ASN 83 2HB ASN 83 11.747 2.387 6.763 610 HB3 ASN 83 1HB ASN 83 13.080 3.127 7.642 611 HD21 ASN 83 1HD2 ASN 83 10.749 4.414 6.440 612 HD22 ASN 83 2HD2 ASN 83 11.371 5.536 5.307 613 H GLU 84 H GLU 84 12.314 -0.381 6.055 614 HA GLU 84 HA GLU 84 13.006 -1.309 8.654 615 HB2 GLU 84 2HB GLU 84 11.696 -2.851 6.412 616 HB3 GLU 84 1HB GLU 84 11.726 -3.307 8.108 617 HG2 GLU 84 2HG GLU 84 10.253 -1.021 6.833 618 HG3 GLU 84 1HG GLU 84 9.584 -2.397 7.705 619 H GLU 85 H GLU 85 13.918 -2.353 5.375 620 HA GLU 85 HA GLU 85 16.565 -2.902 5.948 621 HB2 GLU 85 2HB GLU 85 15.168 -4.811 7.176 622 HB3 GLU 85 1HB GLU 85 15.042 -5.451 5.546 623 HG2 GLU 85 2HG GLU 85 17.679 -4.759 6.727 624 HG3 GLU 85 1HG GLU 85 16.895 -6.290 7.092 625 H GLN 86 H GLN 86 17.591 -3.662 3.868 626 HA GLN 86 HA GLN 86 16.183 -2.544 1.654 627 HB2 GLN 86 2HB GLN 86 18.939 -3.672 2.071 628 HB3 GLN 86 1HB GLN 86 18.365 -3.066 0.543 629 HG2 GLN 86 2HG GLN 86 19.723 -1.375 1.542 630 HG3 GLN 86 1HG GLN 86 18.075 -0.808 1.637 631 HE21 GLN 86 1HE2 GLN 86 19.566 -3.194 3.796 632 HE22 GLN 86 2HE2 GLN 86 19.497 -2.208 5.191 633 H LEU 87 H LEU 87 17.503 -5.562 2.701 634 HA LEU 87 HA LEU 87 16.971 -6.960 0.270 635 HB2 LEU 87 2HB LEU 87 17.974 -7.884 2.938 636 HB3 LEU 87 1HB LEU 87 17.944 -8.868 1.481 637 HG LEU 87 HG LEU 87 19.408 -6.268 1.628 638 HD11 LEU 87 1HD1 LEU 87 20.289 -7.668 3.359 639 HD12 LEU 87 2HD1 LEU 87 21.452 -7.590 2.034 640 HD13 LEU 87 3HD1 LEU 87 20.448 -9.036 2.253 641 HD21 LEU 87 3HD2 LEU 87 19.632 -8.657 -0.195 642 HD22 LEU 87 1HD2 LEU 87 20.675 -7.231 -0.245 643 HD23 LEU 87 2HD2 LEU 87 18.954 -7.072 -0.589 644 H TYR 88 H TYR 88 15.391 -6.228 3.105 645 HA TYR 88 HA TYR 88 13.584 -8.318 3.371 646 HB2 TYR 88 2HB TYR 88 13.640 -6.664 5.061 647 HB3 TYR 88 1HB TYR 88 13.291 -5.355 3.926 648 HD1 TYR 88 1HD TYR 88 11.741 -8.635 4.785 649 HD2 TYR 88 2HD TYR 88 11.224 -4.443 4.335 650 HE1 TYR 88 1HE TYR 88 9.370 -8.888 5.369 651 HE2 TYR 88 2HE TYR 88 8.851 -4.664 4.935 652 HH TYR 88 HH TYR 88 7.624 -7.299 6.419 653 H ILE 89 H ILE 89 13.533 -5.484 1.244 654 HA ILE 89 HA ILE 89 11.005 -5.918 0.055 655 HB ILE 89 HB ILE 89 13.498 -4.633 -1.046 656 HG12 ILE 89 2HG1 ILE 89 11.955 -2.541 -0.913 657 HG13 ILE 89 1HG1 ILE 89 11.000 -3.526 0.180 658 HG21 ILE 89 1HG2 ILE 89 12.043 -3.667 -2.853 659 HG22 ILE 89 2HG2 ILE 89 10.720 -4.651 -2.214 660 HG23 ILE 89 3HG2 ILE 89 12.133 -5.440 -2.923 661 HD11 ILE 89 3HD1 ILE 89 13.874 -2.832 0.471 662 HD12 ILE 89 1HD1 ILE 89 12.919 -3.774 1.628 663 HD13 ILE 89 2HD1 ILE 89 12.511 -2.073 1.311 664 H ASP 90 H ASP 90 14.133 -7.139 -0.569 665 HA ASP 90 HA ASP 90 13.768 -8.449 -3.030 666 HB2 ASP 90 2HB ASP 90 15.915 -7.822 -1.909 667 HB3 ASP 90 1HB ASP 90 15.641 -9.107 -0.761 668 H THR 91 H THR 91 12.776 -9.155 0.109 669 HA THR 91 HA THR 91 12.396 -12.035 -0.213 670 HB THR 91 HB THR 91 11.907 -10.151 2.096 671 HG1 THR 91 1HG THR 91 14.134 -11.006 1.167 672 HG21 THR 91 3HG2 THR 91 10.473 -12.024 2.129 673 HG22 THR 91 1HG2 THR 91 11.647 -12.201 3.437 674 HG23 THR 91 2HG2 THR 91 11.819 -13.164 1.953 675 H LEU 92 H LEU 92 10.484 -9.129 0.427 676 HA LEU 92 HA LEU 92 8.010 -10.075 0.395 677 HB2 LEU 92 2HB LEU 92 8.992 -7.545 -0.829 678 HB3 LEU 92 1HB LEU 92 7.311 -7.983 -1.036 679 HG LEU 92 HG LEU 92 7.447 -6.443 0.756 680 HD11 LEU 92 1HD1 LEU 92 5.908 -8.279 1.122 681 HD12 LEU 92 2HD1 LEU 92 6.602 -7.672 2.637 682 HD13 LEU 92 3HD1 LEU 92 7.238 -9.145 1.904 683 HD21 LEU 92 3HD2 LEU 92 8.780 -6.856 2.744 684 HD22 LEU 92 1HD2 LEU 92 9.767 -6.624 1.298 685 HD23 LEU 92 2HD2 LEU 92 9.488 -8.249 1.919 686 H ARG 93 H ARG 93 9.836 -9.470 -2.609 687 HA ARG 93 HA ARG 93 7.669 -10.064 -4.400 688 HB2 ARG 93 2HB ARG 93 10.521 -10.778 -5.114 689 HB3 ARG 93 1HB ARG 93 9.199 -10.584 -6.216 690 HG2 ARG 93 2HG ARG 93 10.310 -8.686 -6.576 691 HG3 ARG 93 1HG ARG 93 9.207 -8.150 -5.298 692 HD2 ARG 93 2HD ARG 93 11.510 -7.451 -4.958 693 HD3 ARG 93 1HD ARG 93 10.898 -8.446 -3.651 694 HE ARG 93 HE ARG 93 12.097 -10.333 -4.651 695 HH11 ARG 93 1HH1 ARG 93 13.319 -7.070 -5.539 696 HH12 ARG 93 2HH1 ARG 93 14.870 -7.663 -5.857 697 HH21 ARG 93 1HH2 ARG 93 14.233 -11.057 -5.154 698 HH22 ARG 93 2HH2 ARG 93 15.390 -9.931 -5.658 699 H GLU 94 H GLU 94 9.638 -12.086 -2.542 700 HA GLU 94 HA GLU 94 9.337 -14.464 -4.152 701 HB2 GLU 94 2HB GLU 94 10.202 -14.292 -1.271 702 HB3 GLU 94 1HB GLU 94 10.516 -15.609 -2.401 703 HG2 GLU 94 2HG GLU 94 11.883 -14.060 -3.751 704 HG3 GLU 94 1HG GLU 94 11.600 -12.823 -2.530 705 H ALA 95 H ALA 95 7.849 -13.099 -1.331 706 HA ALA 95 HA ALA 95 6.134 -15.423 -1.048 707 HB1 ALA 95 1HB ALA 95 5.328 -14.477 1.007 708 HB2 ALA 95 2HB ALA 95 6.108 -12.945 0.637 709 HB3 ALA 95 3HB ALA 95 7.089 -14.371 0.978 710 H LEU 96 H LEU 96 5.924 -12.274 -2.001 711 HA LEU 96 HA LEU 96 3.018 -12.324 -2.341 712 HB2 LEU 96 2HB LEU 96 5.024 -10.138 -2.865 713 HB3 LEU 96 1HB LEU 96 3.374 -10.020 -3.425 714 HG LEU 96 HG LEU 96 3.581 -8.741 -1.428 715 HD11 LEU 96 1HD1 LEU 96 2.166 -11.295 -0.752 716 HD12 LEU 96 2HD1 LEU 96 1.516 -9.960 -1.700 717 HD13 LEU 96 3HD1 LEU 96 1.924 -9.716 -0.004 718 HD21 LEU 96 3HD2 LEU 96 4.232 -9.735 0.732 719 HD22 LEU 96 1HD2 LEU 96 5.550 -9.732 -0.444 720 HD23 LEU 96 2HD2 LEU 96 4.671 -11.219 -0.123 721 HA PRO 97 HA PRO 97 3.328 -14.051 -6.382 722 HB2 PRO 97 2HB PRO 97 0.694 -13.677 -7.021 723 HB3 PRO 97 1HB PRO 97 1.250 -15.072 -6.121 724 HG2 PRO 97 2HG PRO 97 0.015 -12.541 -5.188 725 HG3 PRO 97 1HG PRO 97 -0.234 -14.189 -4.568 726 HD2 PRO 97 2HD PRO 97 1.271 -12.373 -3.281 727 HD3 PRO 97 1HD PRO 97 1.692 -14.102 -3.268 728 H ALA 98 H ALA 98 2.760 -13.362 -8.527 729 HA ALA 98 HA ALA 98 3.755 -10.793 -9.102 730 HB1 ALA 98 1HB ALA 98 2.319 -12.724 -10.871 731 HB2 ALA 98 2HB ALA 98 4.051 -12.715 -10.544 732 HB3 ALA 98 3HB ALA 98 3.307 -11.373 -11.427 733 H HIS 99 H HIS 99 0.633 -11.704 -8.308 734 HA HIS 99 HA HIS 99 -0.858 -9.809 -9.883 735 HB2 HIS 99 2HB HIS 99 -1.902 -10.766 -7.243 736 HB3 HIS 99 1HB HIS 99 -2.758 -10.551 -8.753 737 HD1 HIS 99 1HD HIS 99 -1.634 -12.571 -10.640 738 HD2 HIS 99 2HD HIS 99 -1.848 -13.266 -6.562 739 HE1 HIS 99 1HE HIS 99 -1.425 -15.083 -10.314 740 H VAL 100 H VAL 100 0.891 -9.834 -6.786 741 HA VAL 100 HA VAL 100 -0.190 -7.290 -6.073 742 HB VAL 100 HB VAL 100 1.519 -9.314 -4.630 743 HG11 VAL 100 1HG1 VAL 100 1.038 -7.974 -2.654 744 HG12 VAL 100 2HG1 VAL 100 0.169 -6.819 -3.700 745 HG13 VAL 100 3HG1 VAL 100 1.908 -7.102 -3.932 746 HG21 VAL 100 3HG2 VAL 100 -1.394 -8.669 -4.291 747 HG22 VAL 100 1HG2 VAL 100 -0.479 -9.837 -3.333 748 HG23 VAL 100 2HG2 VAL 100 -0.750 -10.123 -5.057 749 H ALA 101 H ALA 101 1.098 -5.626 -6.293 750 HA ALA 101 HA ALA 101 3.827 -6.134 -7.280 751 HB1 ALA 101 1HB ALA 101 2.381 -4.957 -8.861 752 HB2 ALA 101 2HB ALA 101 3.721 -3.939 -8.331 753 HB3 ALA 101 3HB ALA 101 2.110 -3.688 -7.665 754 H ILE 102 H ILE 102 5.399 -4.423 -6.712 755 HA ILE 102 HA ILE 102 5.028 -3.542 -3.956 756 HB ILE 102 HB ILE 102 7.511 -4.395 -5.441 757 HG12 ILE 102 2HG1 ILE 102 6.269 -5.571 -2.914 758 HG13 ILE 102 1HG1 ILE 102 6.231 -6.309 -4.515 759 HG21 ILE 102 1HG2 ILE 102 8.718 -3.811 -3.292 760 HG22 ILE 102 2HG2 ILE 102 7.191 -2.920 -2.890 761 HG23 ILE 102 3HG2 ILE 102 8.062 -2.548 -4.356 762 HD11 ILE 102 3HD1 ILE 102 8.720 -6.400 -4.437 763 HD12 ILE 102 1HD1 ILE 102 7.938 -7.410 -3.217 764 HD13 ILE 102 2HD1 ILE 102 8.632 -5.859 -2.767 765 H TRP 103 H TRP 103 5.261 -1.399 -3.740 766 HA TRP 103 HA TRP 103 6.659 -0.013 -5.969 767 HB2 TRP 103 2HB TRP 103 4.432 1.175 -4.331 768 HB3 TRP 103 1HB TRP 103 5.322 2.004 -5.584 769 HD1 TRP 103 HD TRP 103 4.820 -0.935 -7.420 770 HE1 TRP 103 1HE TRP 103 2.536 -1.005 -8.636 771 HE3 TRP 103 3HE TRP 103 2.434 2.630 -4.804 772 HZ2 TRP 103 2HZ TRP 103 0.062 0.285 -8.483 773 HZ3 TRP 103 3HZ TRP 103 0.074 3.221 -5.397 774 HH2 TRP 103 HH TRP 103 -1.066 2.054 -7.215 775 H LYS 104 H LYS 104 7.765 1.911 -5.396 776 HA LYS 104 HA LYS 104 8.740 1.847 -2.647 777 HB2 LYS 104 2HB LYS 104 10.592 1.717 -4.156 778 HB3 LYS 104 1HB LYS 104 9.941 2.989 -5.181 779 HG2 LYS 104 2HG LYS 104 11.814 3.871 -3.945 780 HG3 LYS 104 1HG LYS 104 10.342 4.626 -3.349 781 HD2 LYS 104 2HD LYS 104 10.402 2.829 -1.508 782 HD3 LYS 104 1HD LYS 104 12.059 2.537 -2.031 783 HE2 LYS 104 2HE LYS 104 10.922 5.140 -0.988 784 HE3 LYS 104 1HE LYS 104 12.024 4.071 -0.142 785 HZ1 LYS 104 3HZ LYS 104 13.785 4.661 -1.716 786 HZ2 LYS 104 1HZ LYS 104 13.102 6.046 -1.098 787 HZ3 LYS 104 2HZ LYS 104 12.767 5.497 -2.673 788 H ALA 105 H ALA 105 7.741 3.163 -1.390 789 HA ALA 105 HA ALA 105 6.491 5.577 -2.288 790 HB1 ALA 105 1HB ALA 105 5.981 5.937 0.085 791 HB2 ALA 105 2HB ALA 105 7.081 4.638 0.532 792 HB3 ALA 105 3HB ALA 105 5.608 4.273 -0.362 793 H LEU 106 H LEU 106 7.894 6.982 -3.105 794 HA LEU 106 HA LEU 106 10.538 7.270 -2.070 795 HB2 LEU 106 2HB LEU 106 10.123 7.274 -4.454 796 HB3 LEU 106 1HB LEU 106 9.063 8.654 -4.290 797 HG LEU 106 HG LEU 106 11.010 10.018 -3.558 798 HD11 LEU 106 1HD1 LEU 106 13.266 9.150 -3.953 799 HD12 LEU 106 2HD1 LEU 106 12.582 7.554 -4.272 800 HD13 LEU 106 3HD1 LEU 106 12.425 8.281 -2.673 801 HD21 LEU 106 3HD2 LEU 106 11.292 8.660 -6.233 802 HD22 LEU 106 1HD2 LEU 106 12.030 10.194 -5.779 803 HD23 LEU 106 2HD2 LEU 106 10.278 10.057 -5.874 804 H SER 107 H SER 107 10.917 8.461 -0.383 805 HA SER 107 HA SER 107 9.318 10.673 0.423 806 HB2 SER 107 2HB SER 107 12.119 9.963 1.284 807 HB3 SER 107 1HB SER 107 10.858 10.770 2.225 808 HG SER 107 HG SER 107 9.692 8.804 2.304 809 H VAL 108 H VAL 108 9.666 12.746 -0.096 810 HA VAL 108 HA VAL 108 11.007 13.302 -2.448 811 HB VAL 108 HB VAL 108 10.520 15.727 -1.958 812 HG11 VAL 108 1HG1 VAL 108 8.080 15.431 -2.134 813 HG12 VAL 108 2HG1 VAL 108 8.261 13.746 -1.646 814 HG13 VAL 108 3HG1 VAL 108 8.951 14.299 -3.170 815 HG21 VAL 108 3HG2 VAL 108 10.661 15.602 0.500 816 HG22 VAL 108 1HG2 VAL 108 9.227 14.578 0.525 817 HG23 VAL 108 2HG2 VAL 108 9.107 16.249 -0.025 818 H GLY 109 H GLY 109 12.930 13.874 -2.999 819 HA2 GLY 109 2HA GLY 109 14.752 15.530 -2.119 820 HA3 GLY 109 1HA GLY 109 14.952 14.236 -0.939 821 H GLU 110 H GLU 110 17.010 14.965 -2.598 822 HA GLU 110 HA GLU 110 17.110 12.921 -4.686 823 HB2 GLU 110 2HB GLU 110 18.821 15.333 -4.141 824 HB3 GLU 110 1HB GLU 110 19.266 14.106 -5.322 825 HG2 GLU 110 2HG GLU 110 16.760 15.752 -5.356 826 HG3 GLU 110 1HG GLU 110 18.182 16.016 -6.372 827 H THR 111 H THR 111 17.526 12.878 -1.626 828 HA THR 111 HA THR 111 20.109 11.848 -1.160 829 HB THR 111 HB THR 111 17.584 11.288 0.404 830 HG1 THR 111 1HG THR 111 19.273 13.598 0.413 831 HG21 THR 111 3HG2 THR 111 20.474 11.640 1.235 832 HG22 THR 111 1HG2 THR 111 19.615 10.105 1.152 833 HG23 THR 111 2HG2 THR 111 19.128 11.325 2.330 834 H LEU 112 H LEU 112 17.279 10.562 -2.584 835 HA LEU 112 HA LEU 112 18.126 7.825 -2.128 836 HB2 LEU 112 2HB LEU 112 15.574 8.902 -3.346 837 HB3 LEU 112 1HB LEU 112 15.950 7.204 -3.170 838 HG LEU 112 HG LEU 112 14.430 7.694 -1.469 839 HD11 LEU 112 1HD1 LEU 112 15.646 7.360 0.624 840 HD12 LEU 112 2HD1 LEU 112 17.152 7.704 -0.237 841 HD13 LEU 112 3HD1 LEU 112 16.182 6.305 -0.687 842 HD21 LEU 112 3HD2 LEU 112 14.502 10.125 -1.490 843 HD22 LEU 112 1HD2 LEU 112 16.085 10.106 -0.715 844 HD23 LEU 112 2HD2 LEU 112 14.669 9.534 0.162 845 HA PRO 113 HA PRO 113 19.849 7.854 -6.241 846 HB2 PRO 113 2HB PRO 113 20.426 5.206 -6.391 847 HB3 PRO 113 1HB PRO 113 21.396 6.334 -5.437 848 HG2 PRO 113 2HG PRO 113 19.299 4.407 -4.551 849 HG3 PRO 113 1HG PRO 113 20.833 4.831 -3.775 850 HD2 PRO 113 2HD PRO 113 18.410 5.834 -2.992 851 HD3 PRO 113 1HD PRO 113 19.953 6.677 -2.759 852 H ALA 114 H ALA 114 19.411 6.830 -8.316 853 HA ALA 114 HA ALA 114 16.730 6.798 -9.006 854 HB1 ALA 114 1HB ALA 114 19.021 5.548 -10.514 855 HB2 ALA 114 2HB ALA 114 18.516 7.235 -10.611 856 HB3 ALA 114 3HB ALA 114 17.444 5.956 -11.181 857 H ARG 115 H ARG 115 18.884 4.050 -8.390 858 HA ARG 115 HA ARG 115 16.483 2.426 -8.124 859 HB2 ARG 115 2HB ARG 115 19.195 1.531 -9.141 860 HB3 ARG 115 1HB ARG 115 17.891 0.433 -8.710 861 HG2 ARG 115 2HG ARG 115 17.844 2.489 -10.917 862 HG3 ARG 115 1HG ARG 115 17.959 0.737 -11.107 863 HD2 ARG 115 2HD ARG 115 15.744 0.482 -10.076 864 HD3 ARG 115 1HD ARG 115 15.640 2.229 -9.879 865 HE ARG 115 HE ARG 115 16.001 1.131 -12.538 866 HH11 ARG 115 1HH1 ARG 115 13.928 2.786 -10.208 867 HH12 ARG 115 2HH1 ARG 115 12.718 3.205 -11.334 868 HH21 ARG 115 1HH2 ARG 115 14.351 1.730 -14.109 869 HH22 ARG 115 2HH2 ARG 115 12.979 2.613 -13.615 870 H GLU 116 H GLU 116 16.348 1.154 -6.374 871 HA GLU 116 HA GLU 116 18.407 1.532 -4.299 872 HB2 GLU 116 2HB GLU 116 15.429 1.824 -3.877 873 HB3 GLU 116 1HB GLU 116 16.697 2.053 -2.695 874 HG2 GLU 116 2HG GLU 116 17.363 4.078 -3.697 875 HG3 GLU 116 1HG GLU 116 16.347 3.782 -5.116 876 H PHE 117 H PHE 117 15.152 0.309 -4.684 877 HA PHE 117 HA PHE 117 15.978 -2.285 -3.668 878 HB2 PHE 117 2HB PHE 117 13.206 -1.064 -3.569 879 HB3 PHE 117 1HB PHE 117 13.793 -2.484 -2.703 880 HD1 PHE 117 2HD PHE 117 15.700 -2.089 -1.000 881 HD2 PHE 117 1HD PHE 117 13.217 0.981 -2.548 882 HE1 PHE 117 2HE PHE 117 16.315 -0.641 0.888 883 HE2 PHE 117 1HE PHE 117 13.836 2.446 -0.662 884 HZ PHE 117 HZ PHE 117 15.390 1.630 1.056 885 H GLN 118 H GLN 118 15.809 -3.727 -5.118 886 HA GLN 118 HA GLN 118 14.722 -2.935 -7.660 887 HB2 GLN 118 2HB GLN 118 16.677 -5.011 -6.938 888 HB3 GLN 118 1HB GLN 118 15.685 -5.269 -8.373 889 HG2 GLN 118 2HG GLN 118 16.307 -3.240 -9.270 890 HG3 GLN 118 1HG GLN 118 17.309 -2.796 -7.872 891 HE21 GLN 118 1HE2 GLN 118 17.075 -5.981 -9.411 892 HE22 GLN 118 2HE2 GLN 118 18.690 -6.025 -9.987 893 H HIS 119 H HIS 119 13.556 -4.045 -8.988 894 HA HIS 119 HA HIS 119 12.038 -5.206 -9.777 895 HB2 HIS 119 2HB HIS 119 12.317 -7.015 -7.376 896 HB3 HIS 119 1HB HIS 119 11.094 -7.320 -8.607 897 HD1 HIS 119 1HD HIS 119 11.877 -8.640 -10.632 898 HD2 HIS 119 2HD HIS 119 15.023 -7.074 -8.424 899 HE1 HIS 119 1HE HIS 119 13.988 -9.494 -11.710 900 H VAL 120 H VAL 120 11.669 -2.971 -8.035 901 HA VAL 120 HA VAL 120 9.011 -3.277 -6.978 902 HB VAL 120 HB VAL 120 9.025 -0.835 -6.579 903 HG11 VAL 120 1HG1 VAL 120 10.018 -2.254 -4.877 904 HG12 VAL 120 2HG1 VAL 120 10.835 -0.693 -4.964 905 HG13 VAL 120 3HG1 VAL 120 11.587 -2.120 -5.674 906 HG21 VAL 120 3HG2 VAL 120 11.009 0.530 -7.054 907 HG22 VAL 120 1HG2 VAL 120 10.275 -0.100 -8.530 908 HG23 VAL 120 2HG2 VAL 120 11.748 -0.838 -7.891 909 H ASP 121 H ASP 121 7.189 -2.433 -7.909 910 HA ASP 121 HA ASP 121 7.368 -2.621 -10.814 911 HB2 ASP 121 2HB ASP 121 5.637 -3.917 -9.599 912 HB3 ASP 121 1HB ASP 121 4.864 -2.398 -9.150 913 H LYS 122 H LYS 122 6.669 -0.168 -8.452 914 HA LYS 122 HA LYS 122 6.669 1.834 -10.541 915 HB2 LYS 122 2HB LYS 122 4.281 1.012 -10.350 916 HB3 LYS 122 1HB LYS 122 4.298 1.576 -8.692 917 HG2 LYS 122 2HG LYS 122 4.607 3.890 -9.497 918 HG3 LYS 122 1HG LYS 122 4.541 3.287 -11.156 919 HD2 LYS 122 2HD LYS 122 2.307 3.020 -9.129 920 HD3 LYS 122 1HD LYS 122 2.370 4.222 -10.414 921 HE2 LYS 122 2HE LYS 122 2.429 2.401 -12.075 922 HE3 LYS 122 1HE LYS 122 2.289 1.222 -10.776 923 HZ1 LYS 122 3HZ LYS 122 0.229 3.265 -11.467 924 HZ2 LYS 122 1HZ LYS 122 0.064 2.125 -10.248 925 HZ3 LYS 122 2HZ LYS 122 0.153 1.646 -11.834 926 H TYR 123 H TYR 123 6.785 3.905 -9.650 927 HA TYR 123 HA TYR 123 7.702 4.061 -6.870 928 HB2 TYR 123 2HB TYR 123 8.640 5.371 -9.356 929 HB3 TYR 123 1HB TYR 123 8.563 6.393 -7.926 930 HD1 TYR 123 2HD TYR 123 9.901 3.075 -9.036 931 HD2 TYR 123 1HD TYR 123 10.318 6.457 -6.506 932 HE1 TYR 123 2HE TYR 123 12.073 2.217 -8.252 933 HE2 TYR 123 1HE TYR 123 12.471 5.617 -5.710 934 HH TYR 123 HH TYR 123 13.778 3.741 -5.580 935 H VAL 124 H VAL 124 6.682 5.405 -5.533 936 HA VAL 124 HA VAL 124 4.803 7.360 -6.582 937 HB VAL 124 HB VAL 124 3.156 6.776 -4.779 938 HG11 VAL 124 1HG1 VAL 124 3.735 4.542 -6.713 939 HG12 VAL 124 2HG1 VAL 124 2.761 5.978 -7.030 940 HG13 VAL 124 3HG1 VAL 124 2.214 4.785 -5.855 941 HG21 VAL 124 3HG2 VAL 124 3.304 4.550 -3.698 942 HG22 VAL 124 1HG2 VAL 124 4.623 5.623 -3.232 943 HG23 VAL 124 2HG2 VAL 124 4.907 4.341 -4.408 944 H LEU 125 H LEU 125 3.974 8.501 -4.305 945 HA LEU 125 HA LEU 125 6.496 9.522 -3.276 946 HB2 LEU 125 2HB LEU 125 3.675 10.550 -2.948 947 HB3 LEU 125 1HB LEU 125 5.101 11.321 -2.289 948 HG LEU 125 HG LEU 125 4.495 10.970 -5.228 949 HD11 LEU 125 1HD1 LEU 125 4.447 13.424 -3.479 950 HD12 LEU 125 2HD1 LEU 125 3.043 12.605 -4.163 951 HD13 LEU 125 3HD1 LEU 125 4.208 13.395 -5.226 952 HD21 LEU 125 3HD2 LEU 125 6.430 12.446 -5.572 953 HD22 LEU 125 1HD2 LEU 125 6.904 10.931 -4.804 954 HD23 LEU 125 2HD2 LEU 125 6.764 12.401 -3.842 955 H ASP 126 H ASP 126 6.685 9.988 -1.007 956 HA ASP 126 HA ASP 126 6.212 7.769 0.667 957 HB2 ASP 126 2HB ASP 126 8.083 9.274 0.985 958 HB3 ASP 126 1HB ASP 126 7.000 10.614 1.354 959 H ASN 127 H ASN 127 4.382 7.197 1.593 960 HA ASN 127 HA ASN 127 2.324 9.222 2.081 961 HB2 ASN 127 2HB ASN 127 2.200 6.214 1.991 962 HB3 ASN 127 1HB ASN 127 0.842 7.164 2.602 963 HD21 ASN 127 1HD2 ASN 127 2.924 7.691 -0.166 964 HD22 ASN 127 2HD2 ASN 127 1.704 7.509 -1.374 965 H GLY 128 H GLY 128 2.145 9.949 4.070 966 HA2 GLY 128 2HA GLY 128 1.883 8.723 6.398 967 HA3 GLY 128 1HA GLY 128 3.627 8.623 6.177 968 H GLN 129 H GLN 129 4.791 10.595 5.884 969 HA GLN 129 HA GLN 129 3.604 12.728 7.479 970 HB2 GLN 129 2HB GLN 129 5.798 11.841 8.178 971 HB3 GLN 129 1HB GLN 129 6.474 12.284 6.621 972 HG2 GLN 129 2HG GLN 129 7.116 13.897 8.289 973 HG3 GLN 129 1HG GLN 129 6.029 14.645 7.119 974 HE21 GLN 129 1HE2 GLN 129 6.357 13.473 10.349 975 HE22 GLN 129 2HE2 GLN 129 4.986 14.272 11.012 976 H GLY 130 H GLY 130 2.412 13.955 6.161 977 HA2 GLY 130 2HA GLY 130 3.824 15.297 3.969 978 HA3 GLY 130 1HA GLY 130 2.210 14.638 3.718 979 H GLY 131 H GLY 131 4.051 17.151 5.197 980 HA2 GLY 131 2HA GLY 131 1.654 18.723 5.470 981 HA3 GLY 131 1HA GLY 131 2.358 18.261 7.006 982 H ALA 132 H ALA 132 4.409 18.871 4.253 983 HA ALA 132 HA ALA 132 5.673 21.027 5.691 984 HB1 ALA 132 1HB ALA 132 7.221 21.101 3.780 985 HB2 ALA 132 2HB ALA 132 6.205 19.951 2.915 986 HB3 ALA 132 3HB ALA 132 7.037 19.455 4.390 987 H GLY 133 H GLY 133 3.426 20.605 3.139 988 HA2 GLY 133 2HA GLY 133 2.181 23.007 3.287 989 HA3 GLY 133 1HA GLY 133 3.524 23.300 2.185 990 H SER 134 H SER 134 1.266 20.631 2.733 991 HA SER 134 HA SER 134 1.243 19.655 0.155 992 HB2 SER 134 2HB SER 134 -0.931 19.484 2.234 993 HB3 SER 134 1HB SER 134 -0.584 18.320 0.951 994 HG SER 134 HG SER 134 1.381 17.878 1.939 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -1.082 15.275 -11.568 2 H2 MET 1 2HT MET 1 -0.950 14.021 -12.715 3 H3 MET 1 3HT MET 1 -0.340 13.813 -11.165 4 HA MET 1 HA MET 1 -2.476 13.895 -10.204 5 HB2 MET 1 2HB MET 1 -3.637 15.433 -11.662 6 HB3 MET 1 1HB MET 1 -3.398 14.378 -13.041 7 HG2 MET 1 2HG MET 1 -5.724 14.350 -12.202 8 HG3 MET 1 1HG MET 1 -4.959 12.768 -12.173 9 HE1 MET 1 2HE MET 1 -4.613 15.812 -9.629 10 HE2 MET 1 3HE MET 1 -5.803 15.347 -8.415 11 HE3 MET 1 1HE MET 1 -6.327 15.773 -10.045 12 H GLY 2 H GLY 2 -3.174 12.048 -9.622 13 HA2 GLY 2 2HA GLY 2 -3.846 9.902 -11.256 14 HA3 GLY 2 1HA GLY 2 -2.208 9.648 -10.635 15 H GLU 3 H GLU 3 -4.833 11.391 -9.031 16 HA GLU 3 HA GLU 3 -4.617 9.372 -6.944 17 HB2 GLU 3 2HB GLU 3 -4.863 12.339 -6.524 18 HB3 GLU 3 1HB GLU 3 -4.948 11.102 -5.280 19 HG2 GLU 3 2HG GLU 3 -2.639 10.451 -5.780 20 HG3 GLU 3 1HG GLU 3 -2.556 11.722 -7.001 21 H ASN 4 H ASN 4 -6.394 8.347 -6.755 22 HA ASN 4 HA ASN 4 -8.834 9.877 -6.301 23 HB2 ASN 4 2HB ASN 4 -10.159 7.975 -7.222 24 HB3 ASN 4 1HB ASN 4 -9.047 8.534 -8.463 25 HD21 ASN 4 1HD2 ASN 4 -10.397 6.040 -8.106 26 HD22 ASN 4 2HD2 ASN 4 -9.185 4.808 -7.887 27 H LYS 5 H LYS 5 -6.567 9.127 -4.928 28 HA LYS 5 HA LYS 5 -6.372 6.885 -3.419 29 HB2 LYS 5 2HB LYS 5 -4.738 8.660 -3.785 30 HB3 LYS 5 1HB LYS 5 -5.707 9.729 -2.796 31 HG2 LYS 5 2HG LYS 5 -5.279 8.336 -0.865 32 HG3 LYS 5 1HG LYS 5 -4.331 7.238 -1.884 33 HD2 LYS 5 2HD LYS 5 -2.803 8.742 -0.730 34 HD3 LYS 5 1HD LYS 5 -2.815 9.124 -2.450 35 HE2 LYS 5 2HE LYS 5 -4.493 10.946 -1.924 36 HE3 LYS 5 1HE LYS 5 -4.197 10.608 -0.221 37 HZ1 LYS 5 3HZ LYS 5 -2.880 12.419 -0.880 38 HZ2 LYS 5 1HZ LYS 5 -2.298 11.610 -2.244 39 HZ3 LYS 5 2HZ LYS 5 -1.818 11.109 -0.682 40 H VAL 6 H VAL 6 -8.196 6.122 -2.414 41 HA VAL 6 HA VAL 6 -9.620 7.906 -0.668 42 HB VAL 6 HB VAL 6 -11.000 6.710 -2.242 43 HG11 VAL 6 1HG1 VAL 6 -9.943 4.140 -1.091 44 HG12 VAL 6 2HG1 VAL 6 -9.669 4.763 -2.718 45 HG13 VAL 6 3HG1 VAL 6 -11.291 4.269 -2.222 46 HG21 VAL 6 3HG2 VAL 6 -11.383 5.652 0.552 47 HG22 VAL 6 1HG2 VAL 6 -12.608 5.626 -0.716 48 HG23 VAL 6 2HG2 VAL 6 -12.009 7.166 -0.100 49 H CYS 7 H CYS 7 -8.676 8.070 1.182 50 HA CYS 7 HA CYS 7 -7.618 5.746 2.532 51 HB2 CYS 7 2HB CYS 7 -7.595 8.690 3.284 52 HB3 CYS 7 1HB CYS 7 -6.773 7.407 4.175 53 HG CYS 7 HG CYS 7 -5.688 6.953 1.254 54 H GLY 8 H GLY 8 -8.267 5.773 5.044 55 HA2 GLY 8 2HA GLY 8 -10.297 4.536 5.780 56 HA3 GLY 8 1HA GLY 8 -10.002 6.021 6.625 57 H LEU 9 H LEU 9 -12.176 4.234 4.848 58 HA LEU 9 HA LEU 9 -14.044 6.467 4.803 59 HB2 LEU 9 2HB LEU 9 -12.948 5.164 2.566 60 HB3 LEU 9 1HB LEU 9 -14.516 4.422 2.787 61 HG LEU 9 HG LEU 9 -14.656 6.226 1.176 62 HD11 LEU 9 1HD1 LEU 9 -15.994 6.886 3.772 63 HD12 LEU 9 2HD1 LEU 9 -16.628 5.890 2.455 64 HD13 LEU 9 3HD1 LEU 9 -16.371 7.624 2.221 65 HD21 LEU 9 3HD2 LEU 9 -13.685 8.038 3.380 66 HD22 LEU 9 1HD2 LEU 9 -14.224 8.535 1.779 67 HD23 LEU 9 2HD2 LEU 9 -12.762 7.562 1.957 68 H THR 10 H THR 10 -16.153 5.764 5.413 69 HA THR 10 HA THR 10 -16.208 2.973 6.305 70 HB THR 10 HB THR 10 -15.860 4.529 8.242 71 HG1 THR 10 1HG THR 10 -18.429 3.313 8.284 72 HG21 THR 10 3HG2 THR 10 -17.049 6.478 7.434 73 HG22 THR 10 1HG2 THR 10 -17.731 5.961 8.971 74 HG23 THR 10 2HG2 THR 10 -18.573 5.596 7.462 75 H ARG 11 H ARG 11 -17.236 4.837 4.083 76 HA ARG 11 HA ARG 11 -19.971 3.851 4.163 77 HB2 ARG 11 2HB ARG 11 -19.007 6.471 3.042 78 HB3 ARG 11 1HB ARG 11 -20.627 5.839 2.831 79 HG2 ARG 11 2HG ARG 11 -20.981 6.022 5.258 80 HG3 ARG 11 1HG ARG 11 -19.347 6.681 5.427 81 HD2 ARG 11 2HD ARG 11 -19.905 8.521 3.955 82 HD3 ARG 11 1HD ARG 11 -21.511 7.857 3.703 83 HE ARG 11 HE ARG 11 -20.684 8.622 6.402 84 HH11 ARG 11 1HH1 ARG 11 -22.692 9.184 3.544 85 HH12 ARG 11 2HH1 ARG 11 -23.726 10.295 4.288 86 HH21 ARG 11 1HH2 ARG 11 -22.074 10.270 7.438 87 HH22 ARG 11 2HH2 ARG 11 -23.355 10.936 6.538 88 H GLY 12 H GLY 12 -19.816 2.208 2.772 89 HA2 GLY 12 2HA GLY 12 -18.294 1.564 0.637 90 HA3 GLY 12 1HA GLY 12 -20.039 1.275 0.795 91 H GLN 13 H GLN 13 -21.330 3.260 0.356 92 HA GLN 13 HA GLN 13 -21.075 3.880 -2.316 93 HB2 GLN 13 2HB GLN 13 -22.945 5.533 -1.920 94 HB3 GLN 13 1HB GLN 13 -23.246 3.835 -1.609 95 HG2 GLN 13 2HG GLN 13 -22.340 5.604 0.505 96 HG3 GLN 13 1HG GLN 13 -24.068 5.663 0.059 97 HE21 GLN 13 1HE2 GLN 13 -21.603 3.997 1.863 98 HE22 GLN 13 2HE2 GLN 13 -22.562 2.685 2.405 99 H ASP 14 H ASP 14 -19.717 5.611 0.356 100 HA ASP 14 HA ASP 14 -19.364 8.031 -1.251 101 HB2 ASP 14 2HB ASP 14 -19.810 8.152 1.261 102 HB3 ASP 14 1HB ASP 14 -18.225 7.447 1.504 103 H ALA 15 H ALA 15 -17.791 5.177 -0.354 104 HA ALA 15 HA ALA 15 -15.128 5.883 -1.037 105 HB1 ALA 15 1HB ALA 15 -14.756 3.431 -0.957 106 HB2 ALA 15 2HB ALA 15 -16.509 3.201 -0.819 107 HB3 ALA 15 3HB ALA 15 -15.642 4.013 0.458 108 H LYS 16 H LYS 16 -17.966 4.962 -2.767 109 HA LYS 16 HA LYS 16 -16.842 3.967 -5.132 110 HB2 LYS 16 2HB LYS 16 -19.405 5.484 -4.780 111 HB3 LYS 16 1HB LYS 16 -18.931 4.688 -6.268 112 HG2 LYS 16 2HG LYS 16 -18.866 2.542 -4.934 113 HG3 LYS 16 1HG LYS 16 -19.654 3.436 -3.633 114 HD2 LYS 16 2HD LYS 16 -20.700 3.044 -6.446 115 HD3 LYS 16 1HD LYS 16 -21.317 2.268 -4.991 116 HE2 LYS 16 2HE LYS 16 -22.089 4.393 -4.129 117 HE3 LYS 16 1HE LYS 16 -21.319 5.255 -5.457 118 HZ1 LYS 16 3HZ LYS 16 -22.801 4.196 -6.984 119 HZ2 LYS 16 1HZ LYS 16 -23.697 4.996 -5.810 120 HZ3 LYS 16 2HZ LYS 16 -23.548 3.317 -5.763 121 H ALA 17 H ALA 17 -17.023 7.169 -3.924 122 HA ALA 17 HA ALA 17 -16.886 8.690 -6.239 123 HB1 ALA 17 1HB ALA 17 -15.435 9.203 -3.655 124 HB2 ALA 17 2HB ALA 17 -17.105 9.659 -4.003 125 HB3 ALA 17 3HB ALA 17 -15.777 10.400 -4.900 126 H ALA 18 H ALA 18 -14.347 6.854 -4.675 127 HA ALA 18 HA ALA 18 -12.181 7.892 -6.206 128 HB1 ALA 18 1HB ALA 18 -10.951 5.984 -5.283 129 HB2 ALA 18 2HB ALA 18 -12.478 5.316 -4.686 130 HB3 ALA 18 3HB ALA 18 -11.877 6.845 -4.050 131 H TYR 19 H TYR 19 -14.223 5.093 -6.404 132 HA TYR 19 HA TYR 19 -13.073 3.943 -8.737 133 HB2 TYR 19 2HB TYR 19 -14.271 2.304 -7.885 134 HB3 TYR 19 1HB TYR 19 -15.291 3.380 -6.950 135 HD1 TYR 19 2HD TYR 19 -14.812 1.638 -10.123 136 HD2 TYR 19 1HD TYR 19 -17.510 3.972 -7.848 137 HE1 TYR 19 2HE TYR 19 -16.615 1.127 -11.745 138 HE2 TYR 19 1HE TYR 19 -19.315 3.485 -9.444 139 HH TYR 19 HH TYR 19 -19.039 1.072 -11.778 140 H ASP 20 H ASP 20 -15.596 6.192 -8.140 141 HA ASP 20 HA ASP 20 -16.627 6.489 -10.742 142 HB2 ASP 20 2HB ASP 20 -17.855 7.279 -8.825 143 HB3 ASP 20 1HB ASP 20 -16.545 8.353 -8.370 144 H ALA 21 H ALA 21 -13.848 7.782 -9.143 145 HA ALA 21 HA ALA 21 -13.299 9.804 -11.068 146 HB1 ALA 21 1HB ALA 21 -12.448 9.950 -8.773 147 HB2 ALA 21 2HB ALA 21 -11.139 10.025 -9.956 148 HB3 ALA 21 3HB ALA 21 -11.440 8.533 -9.063 149 H GLY 22 H GLY 22 -12.663 6.355 -10.913 150 HA2 GLY 22 2HA GLY 22 -12.209 6.120 -13.578 151 HA3 GLY 22 1HA GLY 22 -10.629 6.497 -12.931 152 H ALA 23 H ALA 23 -11.879 4.914 -10.421 153 HA ALA 23 HA ALA 23 -11.517 2.895 -9.515 154 HB1 ALA 23 1HB ALA 23 -13.283 2.234 -11.168 155 HB2 ALA 23 2HB ALA 23 -12.184 0.919 -10.751 156 HB3 ALA 23 3HB ALA 23 -12.000 1.771 -12.286 157 H ILE 24 H ILE 24 -9.452 4.430 -10.742 158 HA ILE 24 HA ILE 24 -7.438 3.043 -12.085 159 HB ILE 24 HB ILE 24 -6.853 5.095 -9.951 160 HG12 ILE 24 2HG1 ILE 24 -7.780 5.758 -12.760 161 HG13 ILE 24 1HG1 ILE 24 -8.833 5.885 -11.356 162 HG21 ILE 24 1HG2 ILE 24 -4.966 4.041 -11.140 163 HG22 ILE 24 2HG2 ILE 24 -5.081 5.763 -11.506 164 HG23 ILE 24 3HG2 ILE 24 -5.647 4.574 -12.676 165 HD11 ILE 24 3HD1 ILE 24 -7.932 8.043 -11.932 166 HD12 ILE 24 1HD1 ILE 24 -6.288 7.402 -11.822 167 HD13 ILE 24 2HD1 ILE 24 -7.284 7.499 -10.376 168 H TYR 25 H TYR 25 -7.841 3.787 -8.707 169 HA TYR 25 HA TYR 25 -7.243 1.293 -7.664 170 HB2 TYR 25 2HB TYR 25 -5.043 1.594 -6.742 171 HB3 TYR 25 1HB TYR 25 -4.946 2.007 -8.456 172 HD1 TYR 25 1HD TYR 25 -5.035 3.256 -5.132 173 HD2 TYR 25 2HD TYR 25 -4.471 4.156 -9.176 174 HE1 TYR 25 1HE TYR 25 -4.251 5.356 -4.474 175 HE2 TYR 25 2HE TYR 25 -3.653 6.322 -8.645 176 HH TYR 25 HH TYR 25 -3.472 7.868 -6.961 177 H GLY 26 H GLY 26 -6.622 1.749 -5.222 178 HA2 GLY 26 2HA GLY 26 -7.922 4.160 -4.305 179 HA3 GLY 26 1HA GLY 26 -8.528 2.607 -3.668 180 H GLY 27 H GLY 27 -6.595 5.042 -2.838 181 HA2 GLY 27 2HA GLY 27 -4.382 3.364 -1.909 182 HA3 GLY 27 1HA GLY 27 -4.316 5.109 -2.104 183 H LEU 28 H LEU 28 -4.933 2.521 -0.027 184 HA LEU 28 HA LEU 28 -5.571 4.362 2.078 185 HB2 LEU 28 2HB LEU 28 -7.085 2.588 3.075 186 HB3 LEU 28 1HB LEU 28 -7.727 3.494 1.733 187 HG LEU 28 HG LEU 28 -8.426 1.148 1.692 188 HD11 LEU 28 1HD1 LEU 28 -6.727 2.017 -0.560 189 HD12 LEU 28 2HD1 LEU 28 -8.492 2.076 -0.404 190 HD13 LEU 28 3HD1 LEU 28 -7.645 0.533 -0.590 191 HD21 LEU 28 3HD2 LEU 28 -5.520 0.446 1.328 192 HD22 LEU 28 1HD2 LEU 28 -6.883 -0.678 1.206 193 HD23 LEU 28 2HD2 LEU 28 -6.512 0.116 2.749 194 H ILE 29 H ILE 29 -5.159 3.402 4.173 195 HA ILE 29 HA ILE 29 -3.017 1.530 3.883 196 HB ILE 29 HB ILE 29 -2.040 2.567 6.027 197 HG12 ILE 29 2HG1 ILE 29 -3.569 4.914 4.840 198 HG13 ILE 29 1HG1 ILE 29 -3.894 4.186 6.405 199 HG21 ILE 29 1HG2 ILE 29 -0.626 3.880 4.512 200 HG22 ILE 29 2HG2 ILE 29 -1.897 3.663 3.254 201 HG23 ILE 29 3HG2 ILE 29 -1.125 2.257 3.979 202 HD11 ILE 29 3HD1 ILE 29 -1.367 5.624 5.606 203 HD12 ILE 29 1HD1 ILE 29 -1.678 4.890 7.181 204 HD13 ILE 29 2HD1 ILE 29 -2.649 6.259 6.636 205 H PHE 30 H PHE 30 -2.390 0.352 5.655 206 HA PHE 30 HA PHE 30 -4.799 -1.090 6.464 207 HB2 PHE 30 2HB PHE 30 -1.953 -1.912 6.950 208 HB3 PHE 30 1HB PHE 30 -3.373 -2.899 7.228 209 HD1 PHE 30 1HD PHE 30 -4.754 -3.596 5.251 210 HD2 PHE 30 2HD PHE 30 -0.943 -1.765 4.906 211 HE1 PHE 30 1HE PHE 30 -4.542 -4.468 2.955 212 HE2 PHE 30 2HE PHE 30 -0.718 -2.614 2.632 213 HZ PHE 30 HZ PHE 30 -2.501 -3.959 1.650 214 H VAL 31 H VAL 31 -5.561 0.529 8.193 215 HA VAL 31 HA VAL 31 -4.431 -0.576 10.633 216 HB VAL 31 HB VAL 31 -5.604 2.223 10.395 217 HG11 VAL 31 1HG1 VAL 31 -4.363 0.827 12.764 218 HG12 VAL 31 2HG1 VAL 31 -6.079 1.123 12.510 219 HG13 VAL 31 3HG1 VAL 31 -4.978 2.490 12.730 220 HG21 VAL 31 3HG2 VAL 31 -3.350 3.034 10.863 221 HG22 VAL 31 1HG2 VAL 31 -3.397 2.051 9.398 222 HG23 VAL 31 2HG2 VAL 31 -2.752 1.368 10.896 223 H ALA 32 H ALA 32 -5.818 -1.498 11.949 224 HA ALA 32 HA ALA 32 -8.419 -2.056 11.042 225 HB1 ALA 32 1HB ALA 32 -8.636 -3.359 13.066 226 HB2 ALA 32 2HB ALA 32 -7.180 -2.616 13.726 227 HB3 ALA 32 3HB ALA 32 -7.071 -3.660 12.310 228 H THR 33 H THR 33 -10.233 -1.337 11.620 229 HA THR 33 HA THR 33 -11.890 0.048 12.174 230 HB THR 33 HB THR 33 -12.207 0.486 14.618 231 HG1 THR 33 1HG THR 33 -9.549 -0.297 14.610 232 HG21 THR 33 3HG2 THR 33 -12.353 -1.898 15.244 233 HG22 THR 33 1HG2 THR 33 -11.377 -2.307 13.835 234 HG23 THR 33 2HG2 THR 33 -12.985 -1.599 13.628 235 H SER 34 H SER 34 -9.131 1.596 11.596 236 HA SER 34 HA SER 34 -9.905 4.016 13.000 237 HB2 SER 34 2HB SER 34 -7.410 3.354 11.450 238 HB3 SER 34 1HB SER 34 -7.718 4.905 12.239 239 HG SER 34 HG SER 34 -7.591 2.359 13.510 240 HA PRO 35 HA PRO 35 -12.110 5.500 9.513 241 HB2 PRO 35 2HB PRO 35 -12.361 8.106 10.270 242 HB3 PRO 35 1HB PRO 35 -13.317 6.795 10.972 243 HG2 PRO 35 2HG PRO 35 -10.843 8.112 12.026 244 HG3 PRO 35 1HG PRO 35 -12.325 7.666 12.894 245 HD2 PRO 35 2HD PRO 35 -10.091 6.169 13.019 246 HD3 PRO 35 1HD PRO 35 -11.710 5.440 13.045 247 H ARG 36 H ARG 36 -8.943 6.252 10.085 248 HA ARG 36 HA ARG 36 -8.764 8.043 7.756 249 HB2 ARG 36 2HB ARG 36 -6.643 7.310 9.771 250 HB3 ARG 36 1HB ARG 36 -6.428 8.416 8.430 251 HG2 ARG 36 2HG ARG 36 -8.145 9.885 9.431 252 HG3 ARG 36 1HG ARG 36 -8.215 8.794 10.819 253 HD2 ARG 36 2HD ARG 36 -6.723 10.646 11.315 254 HD3 ARG 36 1HD ARG 36 -5.798 9.153 11.182 255 HE ARG 36 HE ARG 36 -6.010 11.111 8.995 256 HH11 ARG 36 1HH1 ARG 36 -3.979 8.919 10.936 257 HH12 ARG 36 2HH1 ARG 36 -2.577 9.253 10.009 258 HH21 ARG 36 1HH2 ARG 36 -4.109 11.516 7.807 259 HH22 ARG 36 2HH2 ARG 36 -2.635 10.756 8.207 260 H CYS 37 H CYS 37 -8.634 4.768 8.469 261 HA CYS 37 HA CYS 37 -6.784 4.255 6.273 262 HB2 CYS 37 2HB CYS 37 -6.703 2.987 8.987 263 HB3 CYS 37 1HB CYS 37 -5.636 2.612 7.639 264 HG CYS 37 HG CYS 37 -3.916 4.043 9.042 265 H VAL 38 H VAL 38 -7.498 2.465 4.997 266 HA VAL 38 HA VAL 38 -9.709 0.997 6.149 267 HB VAL 38 HB VAL 38 -9.136 1.976 3.367 268 HG11 VAL 38 1HG1 VAL 38 -10.551 0.257 2.349 269 HG12 VAL 38 2HG1 VAL 38 -10.680 -0.575 3.903 270 HG13 VAL 38 3HG1 VAL 38 -9.119 -0.457 3.088 271 HG21 VAL 38 3HG2 VAL 38 -11.558 2.210 3.317 272 HG22 VAL 38 1HG2 VAL 38 -10.847 3.011 4.726 273 HG23 VAL 38 2HG2 VAL 38 -11.641 1.437 4.898 274 H ASN 39 H ASN 39 -9.450 -1.121 6.283 275 HA ASN 39 HA ASN 39 -6.937 -2.253 5.287 276 HB2 ASN 39 2HB ASN 39 -6.381 -3.180 7.488 277 HB3 ASN 39 1HB ASN 39 -7.144 -1.706 7.852 278 HD21 ASN 39 1HD2 ASN 39 -8.687 -1.768 8.588 279 HD22 ASN 39 2HD2 ASN 39 -9.665 -2.878 9.541 280 H VAL 40 H VAL 40 -7.325 -4.705 5.960 281 HA VAL 40 HA VAL 40 -8.878 -5.864 4.042 282 HB VAL 40 HB VAL 40 -8.141 -6.935 6.777 283 HG11 VAL 40 1HG1 VAL 40 -8.303 -9.148 5.805 284 HG12 VAL 40 2HG1 VAL 40 -8.858 -8.448 4.285 285 HG13 VAL 40 3HG1 VAL 40 -9.854 -8.314 5.735 286 HG21 VAL 40 3HG2 VAL 40 -6.206 -7.883 5.681 287 HG22 VAL 40 1HG2 VAL 40 -6.238 -6.137 5.510 288 HG23 VAL 40 2HG2 VAL 40 -6.695 -7.158 4.146 289 H GLU 41 H GLU 41 -9.874 -4.751 7.249 290 HA GLU 41 HA GLU 41 -12.166 -6.099 7.630 291 HB2 GLU 41 2HB GLU 41 -11.255 -3.415 8.362 292 HB3 GLU 41 1HB GLU 41 -12.825 -3.991 8.865 293 HG2 GLU 41 2HG GLU 41 -11.631 -5.802 10.090 294 HG3 GLU 41 1HG GLU 41 -10.111 -5.020 9.612 295 H GLN 42 H GLN 42 -11.714 -2.767 6.630 296 HA GLN 42 HA GLN 42 -14.336 -2.163 5.942 297 HB2 GLN 42 2HB GLN 42 -11.648 -0.905 5.587 298 HB3 GLN 42 1HB GLN 42 -13.108 -0.147 4.991 299 HG2 GLN 42 2HG GLN 42 -12.120 0.564 7.177 300 HG3 GLN 42 1HG GLN 42 -13.880 0.298 7.219 301 HE21 GLN 42 1HE2 GLN 42 -10.807 -0.299 8.486 302 HE22 GLN 42 2HE2 GLN 42 -11.334 -1.473 9.646 303 H ALA 43 H ALA 43 -11.382 -2.747 4.082 304 HA ALA 43 HA ALA 43 -12.458 -2.168 1.584 305 HB1 ALA 43 1HB ALA 43 -10.452 -3.204 0.664 306 HB2 ALA 43 2HB ALA 43 -10.091 -3.893 2.258 307 HB3 ALA 43 3HB ALA 43 -10.082 -2.151 2.028 308 H GLN 44 H GLN 44 -12.672 -5.101 3.485 309 HA GLN 44 HA GLN 44 -13.189 -6.966 1.472 310 HB2 GLN 44 2HB GLN 44 -13.000 -7.123 4.142 311 HB3 GLN 44 1HB GLN 44 -14.752 -7.082 4.009 312 HG2 GLN 44 2HG GLN 44 -14.651 -9.284 3.748 313 HG3 GLN 44 1HG GLN 44 -14.006 -8.971 2.137 314 HE21 GLN 44 1HE2 GLN 44 -11.497 -7.824 3.307 315 HE22 GLN 44 2HE2 GLN 44 -10.612 -9.135 3.925 316 H GLU 45 H GLU 45 -15.154 -4.558 3.040 317 HA GLU 45 HA GLU 45 -17.665 -5.357 1.854 318 HB2 GLU 45 2HB GLU 45 -16.854 -2.818 3.238 319 HB3 GLU 45 1HB GLU 45 -18.491 -3.344 2.903 320 HG2 GLU 45 2HG GLU 45 -18.294 -5.205 4.418 321 HG3 GLU 45 1HG GLU 45 -16.597 -4.825 4.711 322 H VAL 46 H VAL 46 -15.382 -2.714 1.666 323 HA VAL 46 HA VAL 46 -16.664 -1.141 -0.228 324 HB VAL 46 HB VAL 46 -13.668 -1.273 0.212 325 HG11 VAL 46 1HG1 VAL 46 -15.440 0.947 -0.710 326 HG12 VAL 46 2HG1 VAL 46 -14.315 0.027 -1.721 327 HG13 VAL 46 3HG1 VAL 46 -13.701 1.069 -0.418 328 HG21 VAL 46 3HG2 VAL 46 -15.758 0.289 1.722 329 HG22 VAL 46 1HG2 VAL 46 -14.011 0.515 1.872 330 HG23 VAL 46 2HG2 VAL 46 -14.736 -1.015 2.341 331 H MET 47 H MET 47 -14.539 -3.894 -0.709 332 HA MET 47 HA MET 47 -14.027 -3.412 -3.448 333 HB2 MET 47 2HB MET 47 -13.157 -5.666 -3.589 334 HB3 MET 47 1HB MET 47 -12.630 -4.942 -2.082 335 HG2 MET 47 2HG MET 47 -14.461 -6.180 -0.931 336 HG3 MET 47 1HG MET 47 -14.807 -6.985 -2.456 337 HE1 MET 47 3HE MET 47 -12.968 -8.506 -3.752 338 HE2 MET 47 1HE MET 47 -11.399 -8.929 -3.061 339 HE3 MET 47 2HE MET 47 -11.716 -7.275 -3.569 340 H ALA 48 H ALA 48 -16.856 -4.349 -1.933 341 HA ALA 48 HA ALA 48 -17.931 -5.569 -4.352 342 HB1 ALA 48 1HB ALA 48 -18.351 -6.743 -2.252 343 HB2 ALA 48 2HB ALA 48 -19.859 -6.143 -2.947 344 HB3 ALA 48 3HB ALA 48 -19.109 -5.295 -1.592 345 H ALA 49 H ALA 49 -17.524 -2.604 -2.974 346 HA ALA 49 HA ALA 49 -20.055 -1.548 -4.007 347 HB1 ALA 49 1HB ALA 49 -18.167 -0.300 -2.011 348 HB2 ALA 49 2HB ALA 49 -19.666 -1.140 -1.619 349 HB3 ALA 49 3HB ALA 49 -19.713 0.366 -2.537 350 H ALA 50 H ALA 50 -16.450 -1.017 -4.061 351 HA ALA 50 HA ALA 50 -16.873 0.568 -6.400 352 HB1 ALA 50 1HB ALA 50 -15.069 1.130 -4.041 353 HB2 ALA 50 2HB ALA 50 -16.469 2.080 -4.525 354 HB3 ALA 50 3HB ALA 50 -15.047 2.012 -5.567 355 HA PRO 51 HA PRO 51 -14.042 -2.857 -7.013 356 HB2 PRO 51 2HB PRO 51 -14.553 -2.930 -9.796 357 HB3 PRO 51 1HB PRO 51 -15.230 -3.980 -8.547 358 HG2 PRO 51 2HG PRO 51 -16.609 -2.018 -10.056 359 HG3 PRO 51 1HG PRO 51 -17.236 -2.980 -8.715 360 HD2 PRO 51 2HD PRO 51 -16.335 -0.179 -8.761 361 HD3 PRO 51 1HD PRO 51 -17.399 -1.013 -7.611 362 H LEU 52 H LEU 52 -12.705 -1.008 -6.484 363 HA LEU 52 HA LEU 52 -11.094 -0.240 -8.788 364 HB2 LEU 52 2HB LEU 52 -10.123 1.379 -6.989 365 HB3 LEU 52 1HB LEU 52 -11.574 1.852 -7.846 366 HG LEU 52 HG LEU 52 -12.735 0.710 -5.791 367 HD11 LEU 52 1HD1 LEU 52 -11.542 0.958 -3.695 368 HD12 LEU 52 2HD1 LEU 52 -10.064 1.340 -4.589 369 HD13 LEU 52 3HD1 LEU 52 -10.820 -0.246 -4.757 370 HD21 LEU 52 3HD2 LEU 52 -12.663 2.831 -4.515 371 HD22 LEU 52 1HD2 LEU 52 -13.078 3.005 -6.218 372 HD23 LEU 52 2HD2 LEU 52 -11.451 3.417 -5.658 373 H GLN 53 H GLN 53 -8.704 -0.138 -8.406 374 HA GLN 53 HA GLN 53 -7.713 -2.660 -7.646 375 HB2 GLN 53 2HB GLN 53 -7.206 -0.806 -9.471 376 HB3 GLN 53 1HB GLN 53 -6.261 -0.195 -8.121 377 HG2 GLN 53 2HG GLN 53 -5.717 -2.896 -8.630 378 HG3 GLN 53 1HG GLN 53 -5.467 -1.865 -10.048 379 HE21 GLN 53 1HE2 GLN 53 -4.976 -0.891 -6.663 380 HE22 GLN 53 2HE2 GLN 53 -3.272 -0.668 -6.811 381 H TYR 54 H TYR 54 -6.989 -3.050 -5.553 382 HA TYR 54 HA TYR 54 -6.747 -0.710 -3.814 383 HB2 TYR 54 2HB TYR 54 -6.933 -3.644 -3.068 384 HB3 TYR 54 1HB TYR 54 -6.668 -2.328 -1.925 385 HD1 TYR 54 1HD TYR 54 -9.122 -3.798 -4.249 386 HD2 TYR 54 2HD TYR 54 -8.386 -0.976 -1.205 387 HE1 TYR 54 1HE TYR 54 -11.536 -3.413 -4.035 388 HE2 TYR 54 2HE TYR 54 -10.794 -0.565 -0.973 389 HH TYR 54 HH TYR 54 -12.773 -0.777 -2.470 390 H VAL 55 H VAL 55 -5.056 -0.064 -2.790 391 HA VAL 55 HA VAL 55 -2.650 -1.611 -3.097 392 HB VAL 55 HB VAL 55 -2.624 0.168 -4.841 393 HG11 VAL 55 1HG1 VAL 55 -2.436 2.525 -4.202 394 HG12 VAL 55 2HG1 VAL 55 -2.737 2.073 -2.520 395 HG13 VAL 55 3HG1 VAL 55 -3.998 1.845 -3.728 396 HG21 VAL 55 3HG2 VAL 55 -0.703 0.658 -2.604 397 HG22 VAL 55 1HG2 VAL 55 -0.453 1.082 -4.293 398 HG23 VAL 55 2HG2 VAL 55 -0.556 -0.617 -3.806 399 H GLY 56 H GLY 56 -1.470 -1.636 -1.385 400 HA2 GLY 56 2HA GLY 56 -2.332 -0.050 1.040 401 HA3 GLY 56 1HA GLY 56 -1.675 -1.717 1.011 402 H VAL 57 H VAL 57 -0.883 0.793 2.309 403 HA VAL 57 HA VAL 57 1.950 0.667 1.519 404 HB VAL 57 HB VAL 57 0.529 3.097 2.673 405 HG11 VAL 57 1HG1 VAL 57 2.538 4.345 2.057 406 HG12 VAL 57 2HG1 VAL 57 3.290 2.844 1.515 407 HG13 VAL 57 3HG1 VAL 57 2.857 3.050 3.209 408 HG21 VAL 57 3HG2 VAL 57 1.276 2.701 -0.236 409 HG22 VAL 57 1HG2 VAL 57 0.705 4.204 0.483 410 HG23 VAL 57 2HG2 VAL 57 -0.351 2.797 0.429 411 H PHE 58 H PHE 58 3.187 0.103 3.357 412 HA PHE 58 HA PHE 58 2.454 1.042 5.939 413 HB2 PHE 58 2HB PHE 58 0.786 -0.929 5.413 414 HB3 PHE 58 1HB PHE 58 2.162 -1.952 5.805 415 HD1 PHE 58 2HD PHE 58 -0.024 0.732 7.121 416 HD2 PHE 58 1HD PHE 58 2.683 -2.409 8.071 417 HE1 PHE 58 2HE PHE 58 -0.597 0.965 9.496 418 HE2 PHE 58 1HE PHE 58 2.115 -2.181 10.450 419 HZ PHE 58 HZ PHE 58 0.473 -0.494 11.169 420 H ARG 59 H ARG 59 3.918 0.352 7.594 421 HA ARG 59 HA ARG 59 6.358 -0.825 6.525 422 HB2 ARG 59 2HB ARG 59 6.681 1.373 7.611 423 HB3 ARG 59 1HB ARG 59 5.915 0.755 9.072 424 HG2 ARG 59 2HG ARG 59 7.705 -0.967 9.202 425 HG3 ARG 59 1HG ARG 59 8.506 -0.155 7.863 426 HD2 ARG 59 2HD ARG 59 7.807 1.143 10.482 427 HD3 ARG 59 1HD ARG 59 9.368 0.426 10.101 428 HE ARG 59 HE ARG 59 8.227 2.754 8.704 429 HH11 ARG 59 1HH1 ARG 59 11.045 0.864 9.777 430 HH12 ARG 59 2HH1 ARG 59 12.137 2.156 9.581 431 HH21 ARG 59 1HH2 ARG 59 9.758 4.503 8.417 432 HH22 ARG 59 2HH2 ARG 59 11.408 4.225 8.787 433 H ASN 60 H ASN 60 6.011 -3.001 6.726 434 HA ASN 60 HA ASN 60 4.784 -3.985 9.098 435 HB2 ASN 60 2HB ASN 60 5.334 -5.241 6.398 436 HB3 ASN 60 1HB ASN 60 4.492 -6.004 7.736 437 HD21 ASN 60 1HD2 ASN 60 2.292 -5.601 8.010 438 HD22 ASN 60 2HD2 ASN 60 1.418 -4.584 6.925 439 H HIS 61 H HIS 61 5.841 -5.400 10.015 440 HA HIS 61 HA HIS 61 8.761 -5.591 9.606 441 HB2 HIS 61 2HB HIS 61 7.129 -6.409 12.013 442 HB3 HIS 61 1HB HIS 61 8.862 -6.672 11.878 443 HD1 HIS 61 1HD HIS 61 6.736 -4.491 13.582 444 HD2 HIS 61 2HD HIS 61 10.033 -3.892 11.124 445 HE1 HIS 61 1HE HIS 61 7.627 -2.236 14.158 446 H ASP 62 H ASP 62 5.918 -7.579 9.822 447 HA ASP 62 HA ASP 62 7.486 -10.046 9.330 448 HB2 ASP 62 2HB ASP 62 5.707 -9.834 11.184 449 HB3 ASP 62 1HB ASP 62 4.542 -9.832 9.865 450 H ILE 63 H ILE 63 7.652 -10.837 7.467 451 HA ILE 63 HA ILE 63 6.461 -9.658 5.196 452 HB ILE 63 HB ILE 63 8.586 -10.706 4.901 453 HG12 ILE 63 2HG1 ILE 63 6.723 -12.605 3.511 454 HG13 ILE 63 1HG1 ILE 63 6.730 -10.892 3.123 455 HG21 ILE 63 1HG2 ILE 63 8.507 -12.365 6.676 456 HG22 ILE 63 2HG2 ILE 63 8.950 -13.125 5.148 457 HG23 ILE 63 3HG2 ILE 63 7.310 -13.295 5.774 458 HD11 ILE 63 3HD1 ILE 63 9.086 -12.761 2.982 459 HD12 ILE 63 1HD1 ILE 63 9.075 -11.064 2.505 460 HD13 ILE 63 2HD1 ILE 63 8.113 -12.232 1.605 461 H ALA 64 H ALA 64 5.433 -12.281 7.201 462 HA ALA 64 HA ALA 64 3.631 -13.286 5.168 463 HB1 ALA 64 1HB ALA 64 3.791 -13.961 8.102 464 HB2 ALA 64 2HB ALA 64 4.619 -14.824 6.807 465 HB3 ALA 64 3HB ALA 64 2.855 -14.848 6.898 466 H ASP 65 H ASP 65 3.688 -10.856 7.373 467 HA ASP 65 HA ASP 65 0.876 -10.649 7.968 468 HB2 ASP 65 2HB ASP 65 2.405 -9.763 9.590 469 HB3 ASP 65 1HB ASP 65 3.214 -8.781 8.377 470 H VAL 66 H VAL 66 3.172 -9.214 5.783 471 HA VAL 66 HA VAL 66 1.393 -7.404 4.488 472 HB VAL 66 HB VAL 66 3.821 -8.726 3.261 473 HG11 VAL 66 1HG1 VAL 66 2.520 -6.071 2.697 474 HG12 VAL 66 2HG1 VAL 66 2.439 -7.512 1.686 475 HG13 VAL 66 3HG1 VAL 66 3.979 -6.685 1.919 476 HG21 VAL 66 3HG2 VAL 66 3.723 -6.273 4.999 477 HG22 VAL 66 1HG2 VAL 66 5.130 -6.788 4.073 478 HG23 VAL 66 2HG2 VAL 66 4.512 -7.803 5.373 479 H VAL 67 H VAL 67 2.605 -10.634 3.845 480 HA VAL 67 HA VAL 67 1.338 -11.074 1.373 481 HB VAL 67 HB VAL 67 2.179 -13.115 3.459 482 HG11 VAL 67 1HG1 VAL 67 1.509 -13.533 0.540 483 HG12 VAL 67 2HG1 VAL 67 0.544 -14.089 1.907 484 HG13 VAL 67 3HG1 VAL 67 2.151 -14.760 1.633 485 HG21 VAL 67 3HG2 VAL 67 4.149 -13.382 2.052 486 HG22 VAL 67 1HG2 VAL 67 3.997 -11.726 2.629 487 HG23 VAL 67 2HG2 VAL 67 3.560 -12.127 0.966 488 H ASP 68 H ASP 68 0.303 -11.734 4.651 489 HA ASP 68 HA ASP 68 -2.072 -13.032 4.268 490 HB2 ASP 68 2HB ASP 68 -1.192 -12.694 6.474 491 HB3 ASP 68 1HB ASP 68 -1.301 -10.950 6.310 492 H LYS 69 H LYS 69 -1.601 -9.544 4.458 493 HA LYS 69 HA LYS 69 -4.349 -8.832 3.988 494 HB2 LYS 69 2HB LYS 69 -1.918 -7.143 3.381 495 HB3 LYS 69 1HB LYS 69 -3.538 -6.572 3.747 496 HG2 LYS 69 2HG LYS 69 -1.635 -7.911 5.669 497 HG3 LYS 69 1HG LYS 69 -2.035 -6.191 5.584 498 HD2 LYS 69 2HD LYS 69 -4.278 -6.608 6.220 499 HD3 LYS 69 1HD LYS 69 -4.048 -8.351 6.070 500 HE2 LYS 69 2HE LYS 69 -2.642 -6.573 8.035 501 HE3 LYS 69 1HE LYS 69 -4.070 -7.562 8.364 502 HZ1 LYS 69 3HZ LYS 69 -2.076 -8.718 9.071 503 HZ2 LYS 69 1HZ LYS 69 -1.393 -8.600 7.538 504 HZ3 LYS 69 2HZ LYS 69 -2.780 -9.542 7.778 505 H ALA 70 H ALA 70 -1.521 -9.053 1.920 506 HA ALA 70 HA ALA 70 -2.663 -8.066 -0.436 507 HB1 ALA 70 1HB ALA 70 -0.428 -10.069 -0.130 508 HB2 ALA 70 2HB ALA 70 -0.246 -8.318 -0.072 509 HB3 ALA 70 3HB ALA 70 -0.772 -9.098 -1.562 510 H LYS 71 H LYS 71 -2.565 -11.276 0.929 511 HA LYS 71 HA LYS 71 -3.758 -12.513 -1.356 512 HB2 LYS 71 2HB LYS 71 -2.186 -13.706 0.049 513 HB3 LYS 71 1HB LYS 71 -3.254 -13.537 1.433 514 HG2 LYS 71 2HG LYS 71 -4.928 -14.890 0.319 515 HG3 LYS 71 1HG LYS 71 -3.870 -15.065 -1.078 516 HD2 LYS 71 2HD LYS 71 -3.242 -16.019 1.728 517 HD3 LYS 71 1HD LYS 71 -3.788 -17.049 0.408 518 HE2 LYS 71 2HE LYS 71 -1.211 -15.449 0.415 519 HE3 LYS 71 1HE LYS 71 -1.342 -17.157 0.786 520 HZ1 LYS 71 3HZ LYS 71 -0.647 -16.788 -1.489 521 HZ2 LYS 71 1HZ LYS 71 -2.062 -15.942 -1.843 522 HZ3 LYS 71 2HZ LYS 71 -2.121 -17.571 -1.445 523 H VAL 72 H VAL 72 -4.877 -11.798 1.972 524 HA VAL 72 HA VAL 72 -7.445 -12.888 1.734 525 HB VAL 72 HB VAL 72 -6.680 -10.505 3.460 526 HG11 VAL 72 1HG1 VAL 72 -8.990 -12.415 3.715 527 HG12 VAL 72 2HG1 VAL 72 -9.055 -10.707 3.242 528 HG13 VAL 72 3HG1 VAL 72 -8.529 -11.151 4.865 529 HG21 VAL 72 3HG2 VAL 72 -6.654 -13.451 4.105 530 HG22 VAL 72 1HG2 VAL 72 -6.418 -12.135 5.267 531 HG23 VAL 72 2HG2 VAL 72 -5.259 -12.357 3.970 532 H LEU 73 H LEU 73 -6.533 -9.442 1.463 533 HA LEU 73 HA LEU 73 -9.153 -8.820 0.537 534 HB2 LEU 73 2HB LEU 73 -7.444 -7.423 1.945 535 HB3 LEU 73 1HB LEU 73 -6.795 -6.964 0.390 536 HG LEU 73 HG LEU 73 -8.367 -5.304 1.459 537 HD11 LEU 73 1HD1 LEU 73 -9.639 -4.779 -0.566 538 HD12 LEU 73 2HD1 LEU 73 -9.184 -6.345 -1.245 539 HD13 LEU 73 3HD1 LEU 73 -7.949 -5.135 -0.907 540 HD21 LEU 73 3HD2 LEU 73 -9.922 -6.924 2.391 541 HD22 LEU 73 1HD2 LEU 73 -10.455 -7.361 0.770 542 HD23 LEU 73 2HD2 LEU 73 -10.744 -5.738 1.381 543 H SER 74 H SER 74 -6.428 -10.086 -0.972 544 HA SER 74 HA SER 74 -5.548 -10.158 -2.974 545 HB2 SER 74 2HB SER 74 -7.192 -10.419 -4.933 546 HB3 SER 74 1HB SER 74 -7.398 -11.541 -3.594 547 HG SER 74 HG SER 74 -8.801 -9.223 -3.328 548 H LEU 75 H LEU 75 -4.479 -8.328 -2.611 549 HA LEU 75 HA LEU 75 -5.358 -5.787 -3.614 550 HB2 LEU 75 2HB LEU 75 -2.691 -6.678 -2.566 551 HB3 LEU 75 1HB LEU 75 -3.172 -5.022 -2.870 552 HG LEU 75 HG LEU 75 -4.385 -6.862 -0.823 553 HD11 LEU 75 1HD1 LEU 75 -2.680 -4.410 -0.486 554 HD12 LEU 75 2HD1 LEU 75 -2.115 -6.073 -0.329 555 HD13 LEU 75 3HD1 LEU 75 -3.341 -5.457 0.781 556 HD21 LEU 75 3HD2 LEU 75 -4.969 -3.989 -1.523 557 HD22 LEU 75 1HD2 LEU 75 -5.593 -4.838 -0.098 558 HD23 LEU 75 2HD2 LEU 75 -6.018 -5.379 -1.726 559 H ALA 76 H ALA 76 -3.286 -4.628 -4.696 560 HA ALA 76 HA ALA 76 -2.630 -6.248 -7.016 561 HB1 ALA 76 1HB ALA 76 -3.562 -3.387 -7.097 562 HB2 ALA 76 2HB ALA 76 -4.506 -4.797 -7.561 563 HB3 ALA 76 3HB ALA 76 -3.056 -4.371 -8.469 564 H ALA 77 H ALA 77 -1.903 -3.379 -5.037 565 HA ALA 77 HA ALA 77 0.875 -4.108 -5.366 566 HB1 ALA 77 1HB ALA 77 0.456 -2.334 -6.977 567 HB2 ALA 77 2HB ALA 77 1.516 -1.786 -5.685 568 HB3 ALA 77 3HB ALA 77 -0.178 -1.315 -5.691 569 H VAL 78 H VAL 78 2.191 -3.228 -3.750 570 HA VAL 78 HA VAL 78 0.924 -2.039 -1.397 571 HB VAL 78 HB VAL 78 0.821 -4.391 -0.917 572 HG11 VAL 78 1HG1 VAL 78 2.486 -5.305 -2.379 573 HG12 VAL 78 2HG1 VAL 78 3.094 -5.681 -0.748 574 HG13 VAL 78 3HG1 VAL 78 3.726 -4.298 -1.674 575 HG21 VAL 78 3HG2 VAL 78 3.079 -3.091 0.611 576 HG22 VAL 78 1HG2 VAL 78 2.181 -4.512 1.154 577 HG23 VAL 78 2HG2 VAL 78 1.357 -2.958 0.971 578 H GLN 79 H GLN 79 2.284 -0.574 -0.326 579 HA GLN 79 HA GLN 79 4.865 -0.238 -1.498 580 HB2 GLN 79 2HB GLN 79 2.899 1.513 -0.146 581 HB3 GLN 79 1HB GLN 79 4.590 1.938 -0.177 582 HG2 GLN 79 2HG GLN 79 3.574 3.074 -1.940 583 HG3 GLN 79 1HG GLN 79 4.466 1.743 -2.661 584 HE21 GLN 79 1HE2 GLN 79 3.243 -0.118 -3.407 585 HE22 GLN 79 2HE2 GLN 79 1.584 0.120 -3.822 586 H LEU 80 H LEU 80 6.275 -1.098 -0.433 587 HA LEU 80 HA LEU 80 6.018 -1.372 2.479 588 HB2 LEU 80 2HB LEU 80 8.149 -2.433 0.613 589 HB3 LEU 80 1HB LEU 80 8.244 -2.576 2.351 590 HG LEU 80 HG LEU 80 7.576 -4.661 1.523 591 HD11 LEU 80 1HD1 LEU 80 5.399 -5.044 2.530 592 HD12 LEU 80 2HD1 LEU 80 5.128 -3.308 2.607 593 HD13 LEU 80 3HD1 LEU 80 6.439 -4.041 3.539 594 HD21 LEU 80 3HD2 LEU 80 5.388 -3.277 -0.028 595 HD22 LEU 80 1HD2 LEU 80 5.590 -5.025 0.103 596 HD23 LEU 80 2HD2 LEU 80 6.822 -4.054 -0.700 597 H HIS 81 H HIS 81 6.950 -0.036 3.857 598 HA HIS 81 HA HIS 81 8.460 2.132 2.828 599 HB2 HIS 81 2HB HIS 81 7.905 1.323 5.688 600 HB3 HIS 81 1HB HIS 81 8.935 2.689 5.284 601 HD1 HIS 81 1HD HIS 81 7.692 4.773 4.056 602 HD2 HIS 81 2HD HIS 81 5.224 1.812 5.626 603 HE1 HIS 81 1HE HIS 81 5.403 5.766 4.181 604 H GLY 82 H GLY 82 10.246 1.837 2.006 605 HA2 GLY 82 2HA GLY 82 11.974 -0.306 2.211 606 HA3 GLY 82 1HA GLY 82 12.401 1.262 1.578 607 H ASN 83 H ASN 83 11.912 2.577 4.058 608 HA ASN 83 HA ASN 83 14.436 2.783 5.116 609 HB2 ASN 83 2HB ASN 83 12.726 4.451 5.497 610 HB3 ASN 83 1HB ASN 83 11.798 3.329 6.477 611 HD21 ASN 83 1HD2 ASN 83 14.615 5.346 6.343 612 HD22 ASN 83 2HD2 ASN 83 14.929 5.343 8.037 613 H GLU 84 H GLU 84 12.119 0.303 5.839 614 HA GLU 84 HA GLU 84 13.100 -0.397 8.379 615 HB2 GLU 84 2HB GLU 84 10.835 -0.946 7.356 616 HB3 GLU 84 1HB GLU 84 11.664 -2.233 6.488 617 HG2 GLU 84 2HG GLU 84 10.540 -2.958 8.581 618 HG3 GLU 84 1HG GLU 84 12.271 -3.314 8.521 619 H GLU 85 H GLU 85 13.812 -1.692 5.113 620 HA GLU 85 HA GLU 85 16.473 -2.304 5.626 621 HB2 GLU 85 2HB GLU 85 15.119 -4.028 7.066 622 HB3 GLU 85 1HB GLU 85 14.753 -4.773 5.524 623 HG2 GLU 85 2HG GLU 85 17.545 -4.213 6.365 624 HG3 GLU 85 1HG GLU 85 16.699 -5.655 6.910 625 H GLN 86 H GLN 86 17.401 -3.170 3.528 626 HA GLN 86 HA GLN 86 15.885 -2.194 1.340 627 HB2 GLN 86 2HB GLN 86 18.632 -3.367 1.621 628 HB3 GLN 86 1HB GLN 86 17.953 -2.809 0.117 629 HG2 GLN 86 2HG GLN 86 19.388 -1.097 0.923 630 HG3 GLN 86 1HG GLN 86 17.745 -0.525 1.179 631 HE21 GLN 86 1HE2 GLN 86 19.440 -2.901 3.172 632 HE22 GLN 86 2HE2 GLN 86 19.535 -1.916 4.573 633 H LEU 87 H LEU 87 17.166 -5.176 2.452 634 HA LEU 87 HA LEU 87 16.657 -6.555 0.001 635 HB2 LEU 87 2HB LEU 87 17.615 -7.565 2.649 636 HB3 LEU 87 1HB LEU 87 17.651 -8.464 1.133 637 HG LEU 87 HG LEU 87 19.005 -5.849 1.543 638 HD11 LEU 87 1HD1 LEU 87 21.116 -7.147 1.763 639 HD12 LEU 87 2HD1 LEU 87 20.160 -8.637 1.792 640 HD13 LEU 87 3HD1 LEU 87 19.984 -7.441 3.082 641 HD21 LEU 87 3HD2 LEU 87 20.328 -6.533 -0.426 642 HD22 LEU 87 1HD2 LEU 87 18.606 -6.344 -0.751 643 HD23 LEU 87 2HD2 LEU 87 19.294 -7.959 -0.576 644 H TYR 88 H TYR 88 15.236 -6.081 3.020 645 HA TYR 88 HA TYR 88 13.385 -8.057 3.334 646 HB2 TYR 88 2HB TYR 88 13.635 -6.360 5.005 647 HB3 TYR 88 1HB TYR 88 13.187 -5.092 3.874 648 HD1 TYR 88 1HD TYR 88 11.615 -8.348 4.763 649 HD2 TYR 88 2HD TYR 88 11.247 -4.114 4.617 650 HE1 TYR 88 1HE TYR 88 9.291 -8.559 5.501 651 HE2 TYR 88 2HE TYR 88 8.899 -4.292 5.374 652 HH TYR 88 HH TYR 88 7.625 -7.101 6.691 653 H ILE 89 H ILE 89 13.194 -5.230 1.228 654 HA ILE 89 HA ILE 89 10.505 -5.646 0.425 655 HB ILE 89 HB ILE 89 12.767 -4.060 -0.756 656 HG12 ILE 89 2HG1 ILE 89 11.097 -2.144 -0.320 657 HG13 ILE 89 1HG1 ILE 89 10.232 -3.324 0.659 658 HG21 ILE 89 1HG2 ILE 89 11.412 -4.805 -2.660 659 HG22 ILE 89 2HG2 ILE 89 11.157 -3.072 -2.406 660 HG23 ILE 89 3HG2 ILE 89 9.953 -4.246 -1.854 661 HD11 ILE 89 3HD1 ILE 89 12.996 -2.292 0.997 662 HD12 ILE 89 1HD1 ILE 89 12.350 -3.673 1.896 663 HD13 ILE 89 2HD1 ILE 89 11.583 -2.110 2.082 664 H ASP 90 H ASP 90 13.551 -6.783 -0.715 665 HA ASP 90 HA ASP 90 12.422 -7.796 -3.140 666 HB2 ASP 90 2HB ASP 90 14.797 -7.037 -2.741 667 HB3 ASP 90 1HB ASP 90 15.054 -8.599 -1.987 668 H THR 91 H THR 91 12.618 -8.774 -0.015 669 HA THR 91 HA THR 91 12.518 -11.611 -0.415 670 HB THR 91 HB THR 91 12.055 -9.850 1.993 671 HG1 THR 91 1HG THR 91 14.215 -9.874 1.253 672 HG21 THR 91 3HG2 THR 91 12.283 -12.853 1.826 673 HG22 THR 91 1HG2 THR 91 10.870 -11.858 2.179 674 HG23 THR 91 2HG2 THR 91 12.226 -11.898 3.329 675 H LEU 92 H LEU 92 10.316 -8.979 0.543 676 HA LEU 92 HA LEU 92 7.956 -10.165 0.708 677 HB2 LEU 92 2HB LEU 92 8.617 -7.555 -0.539 678 HB3 LEU 92 1HB LEU 92 6.990 -8.158 -0.749 679 HG LEU 92 HG LEU 92 6.925 -6.656 1.061 680 HD11 LEU 92 1HD1 LEU 92 6.203 -8.022 2.879 681 HD12 LEU 92 2HD1 LEU 92 7.192 -9.324 2.242 682 HD13 LEU 92 3HD1 LEU 92 5.743 -8.819 1.347 683 HD21 LEU 92 3HD2 LEU 92 9.211 -8.181 2.203 684 HD22 LEU 92 1HD2 LEU 92 8.341 -6.886 3.028 685 HD23 LEU 92 2HD2 LEU 92 9.260 -6.532 1.566 686 H ARG 93 H ARG 93 9.459 -9.375 -2.392 687 HA ARG 93 HA ARG 93 7.428 -10.190 -4.101 688 HB2 ARG 93 2HB ARG 93 10.370 -10.598 -4.591 689 HB3 ARG 93 1HB ARG 93 9.160 -11.013 -5.781 690 HG2 ARG 93 2HG ARG 93 9.821 -8.962 -6.479 691 HG3 ARG 93 1HG ARG 93 8.437 -8.544 -5.472 692 HD2 ARG 93 2HD ARG 93 10.022 -8.170 -3.596 693 HD3 ARG 93 1HD ARG 93 11.337 -8.402 -4.761 694 HE ARG 93 HE ARG 93 9.280 -6.468 -5.332 695 HH11 ARG 93 1HH1 ARG 93 12.759 -7.085 -4.777 696 HH12 ARG 93 2HH1 ARG 93 13.114 -5.425 -4.913 697 HH21 ARG 93 1HH2 ARG 93 9.864 -4.322 -5.511 698 HH22 ARG 93 2HH2 ARG 93 11.516 -3.858 -5.337 699 H GLU 94 H GLU 94 9.505 -12.228 -2.224 700 HA GLU 94 HA GLU 94 9.265 -14.531 -3.909 701 HB2 GLU 94 2HB GLU 94 10.315 -14.332 -1.102 702 HB3 GLU 94 1HB GLU 94 10.646 -15.612 -2.271 703 HG2 GLU 94 2HG GLU 94 11.679 -13.910 -3.760 704 HG3 GLU 94 1HG GLU 94 11.409 -12.741 -2.472 705 H ALA 95 H ALA 95 7.697 -13.283 -1.165 706 HA ALA 95 HA ALA 95 6.080 -15.730 -0.927 707 HB1 ALA 95 1HB ALA 95 6.217 -13.389 0.970 708 HB2 ALA 95 2HB ALA 95 7.134 -14.883 1.127 709 HB3 ALA 95 3HB ALA 95 5.374 -14.919 1.244 710 H LEU 96 H LEU 96 6.039 -12.975 -2.547 711 HA LEU 96 HA LEU 96 3.201 -12.174 -2.285 712 HB2 LEU 96 2HB LEU 96 5.311 -10.652 -2.498 713 HB3 LEU 96 1HB LEU 96 5.245 -11.118 -4.181 714 HG LEU 96 HG LEU 96 2.927 -10.211 -4.266 715 HD11 LEU 96 1HD1 LEU 96 3.678 -9.148 -1.539 716 HD12 LEU 96 2HD1 LEU 96 2.388 -10.303 -1.878 717 HD13 LEU 96 3HD1 LEU 96 2.276 -8.651 -2.473 718 HD21 LEU 96 3HD2 LEU 96 5.130 -8.329 -3.464 719 HD22 LEU 96 1HD2 LEU 96 3.664 -7.882 -4.337 720 HD23 LEU 96 2HD2 LEU 96 4.839 -8.966 -5.084 721 HA PRO 97 HA PRO 97 2.214 -14.755 -5.688 722 HB2 PRO 97 2HB PRO 97 -0.304 -13.833 -6.116 723 HB3 PRO 97 1HB PRO 97 0.085 -14.941 -4.799 724 HG2 PRO 97 2HG PRO 97 -0.288 -11.993 -4.757 725 HG3 PRO 97 1HG PRO 97 -0.848 -13.200 -3.581 726 HD2 PRO 97 2HD PRO 97 1.350 -11.641 -3.205 727 HD3 PRO 97 1HD PRO 97 1.202 -13.268 -2.515 728 H ALA 98 H ALA 98 1.537 -14.432 -7.883 729 HA ALA 98 HA ALA 98 3.163 -12.648 -9.259 730 HB1 ALA 98 1HB ALA 98 2.294 -14.762 -10.140 731 HB2 ALA 98 2HB ALA 98 2.016 -13.395 -11.236 732 HB3 ALA 98 3HB ALA 98 0.698 -14.005 -10.225 733 H HIS 99 H HIS 99 -0.211 -12.395 -8.405 734 HA HIS 99 HA HIS 99 -0.580 -10.182 -10.149 735 HB2 HIS 99 2HB HIS 99 -2.959 -10.155 -9.211 736 HB3 HIS 99 1HB HIS 99 -2.459 -11.570 -10.111 737 HD1 HIS 99 1HD HIS 99 -3.164 -13.706 -9.046 738 HD2 HIS 99 2HD HIS 99 -2.562 -10.620 -6.442 739 HE1 HIS 99 1HE HIS 99 -3.782 -14.650 -6.792 740 H VAL 100 H VAL 100 0.611 -10.246 -6.821 741 HA VAL 100 HA VAL 100 -0.396 -7.595 -6.556 742 HB VAL 100 HB VAL 100 1.010 -9.451 -4.609 743 HG11 VAL 100 1HG1 VAL 100 1.460 -7.182 -4.232 744 HG12 VAL 100 2HG1 VAL 100 0.375 -7.795 -2.947 745 HG13 VAL 100 3HG1 VAL 100 -0.257 -6.773 -4.272 746 HG21 VAL 100 3HG2 VAL 100 -1.889 -8.631 -4.781 747 HG22 VAL 100 1HG2 VAL 100 -1.168 -9.582 -3.480 748 HG23 VAL 100 2HG2 VAL 100 -1.219 -10.230 -5.109 749 H ALA 101 H ALA 101 1.049 -5.884 -6.456 750 HA ALA 101 HA ALA 101 3.788 -6.519 -7.233 751 HB1 ALA 101 1HB ALA 101 2.520 -5.448 -9.021 752 HB2 ALA 101 2HB ALA 101 3.772 -4.367 -8.407 753 HB3 ALA 101 3HB ALA 101 2.090 -4.127 -7.936 754 H ILE 102 H ILE 102 5.157 -4.456 -6.705 755 HA ILE 102 HA ILE 102 4.552 -3.584 -3.990 756 HB ILE 102 HB ILE 102 7.111 -4.639 -5.143 757 HG12 ILE 102 2HG1 ILE 102 5.678 -5.454 -2.596 758 HG13 ILE 102 1HG1 ILE 102 5.549 -6.302 -4.130 759 HG21 ILE 102 1HG2 ILE 102 8.201 -3.923 -2.976 760 HG22 ILE 102 2HG2 ILE 102 6.726 -2.891 -2.783 761 HG23 ILE 102 3HG2 ILE 102 7.734 -2.737 -4.211 762 HD11 ILE 102 3HD1 ILE 102 7.136 -7.507 -2.744 763 HD12 ILE 102 1HD1 ILE 102 8.026 -6.013 -2.427 764 HD13 ILE 102 2HD1 ILE 102 7.998 -6.718 -4.032 765 H TRP 103 H TRP 103 4.952 -1.455 -3.716 766 HA TRP 103 HA TRP 103 6.418 -0.097 -5.931 767 HB2 TRP 103 2HB TRP 103 4.115 0.994 -4.375 768 HB3 TRP 103 1HB TRP 103 5.036 1.910 -5.561 769 HD1 TRP 103 HD TRP 103 4.792 -1.014 -7.409 770 HE1 TRP 103 1HE TRP 103 2.694 -1.194 -8.862 771 HE3 TRP 103 3HE TRP 103 2.064 2.452 -5.080 772 HZ2 TRP 103 2HZ TRP 103 0.116 0.010 -8.943 773 HZ3 TRP 103 3HZ TRP 103 -0.257 2.966 -5.892 774 HH2 TRP 103 HH TRP 103 -1.189 1.753 -7.799 775 H LYS 104 H LYS 104 7.372 1.885 -5.275 776 HA LYS 104 HA LYS 104 8.412 1.632 -2.572 777 HB2 LYS 104 2HB LYS 104 10.149 1.647 -4.211 778 HB3 LYS 104 1HB LYS 104 9.450 3.040 -5.026 779 HG2 LYS 104 2HG LYS 104 11.358 3.771 -3.797 780 HG3 LYS 104 1HG LYS 104 9.914 4.395 -3.005 781 HD2 LYS 104 2HD LYS 104 10.080 2.427 -1.438 782 HD3 LYS 104 1HD LYS 104 11.669 2.112 -2.144 783 HE2 LYS 104 2HE LYS 104 10.760 4.568 -0.654 784 HE3 LYS 104 1HE LYS 104 11.993 3.411 -0.162 785 HZ1 LYS 104 3HZ LYS 104 12.161 5.394 -2.369 786 HZ2 LYS 104 1HZ LYS 104 13.295 4.173 -2.167 787 HZ3 LYS 104 2HZ LYS 104 13.085 5.326 -0.975 788 H ALA 105 H ALA 105 7.392 2.818 -1.181 789 HA ALA 105 HA ALA 105 6.137 5.324 -1.775 790 HB1 ALA 105 1HB ALA 105 6.018 5.512 0.732 791 HB2 ALA 105 2HB ALA 105 6.947 4.017 0.845 792 HB3 ALA 105 3HB ALA 105 5.341 4.008 0.119 793 H LEU 106 H LEU 106 7.537 6.795 -2.586 794 HA LEU 106 HA LEU 106 10.293 6.841 -1.771 795 HB2 LEU 106 2HB LEU 106 9.183 7.251 -4.123 796 HB3 LEU 106 1HB LEU 106 8.949 8.872 -3.534 797 HG LEU 106 HG LEU 106 11.594 7.487 -4.019 798 HD11 LEU 106 1HD1 LEU 106 11.889 9.175 -5.753 799 HD12 LEU 106 2HD1 LEU 106 10.287 9.814 -5.401 800 HD13 LEU 106 3HD1 LEU 106 10.459 8.186 -6.047 801 HD21 LEU 106 3HD2 LEU 106 12.663 9.616 -3.510 802 HD22 LEU 106 1HD2 LEU 106 11.805 8.986 -2.101 803 HD23 LEU 106 2HD2 LEU 106 11.098 10.301 -3.047 804 H SER 107 H SER 107 10.562 7.665 0.261 805 HA SER 107 HA SER 107 9.112 9.921 1.214 806 HB2 SER 107 2HB SER 107 11.785 8.897 2.212 807 HB3 SER 107 1HB SER 107 10.526 9.713 3.133 808 HG SER 107 HG SER 107 9.183 7.810 2.797 809 H VAL 108 H VAL 108 9.405 11.781 0.159 810 HA VAL 108 HA VAL 108 11.775 12.320 -1.312 811 HB VAL 108 HB VAL 108 10.709 14.518 -1.858 812 HG11 VAL 108 1HG1 VAL 108 10.333 12.575 -3.275 813 HG12 VAL 108 2HG1 VAL 108 8.872 13.564 -3.191 814 HG13 VAL 108 3HG1 VAL 108 8.983 12.075 -2.255 815 HG21 VAL 108 3HG2 VAL 108 8.425 13.451 -0.190 816 HG22 VAL 108 1HG2 VAL 108 8.376 14.898 -1.196 817 HG23 VAL 108 2HG2 VAL 108 9.436 14.837 0.215 818 H GLY 109 H GLY 109 13.330 13.791 -0.987 819 HA2 GLY 109 2HA GLY 109 13.300 15.707 1.078 820 HA3 GLY 109 1HA GLY 109 14.226 14.284 1.563 821 H GLU 110 H GLU 110 15.911 13.628 0.139 822 HA GLU 110 HA GLU 110 17.312 16.009 -0.787 823 HB2 GLU 110 2HB GLU 110 18.294 13.354 0.204 824 HB3 GLU 110 1HB GLU 110 19.346 14.518 -0.588 825 HG2 GLU 110 2HG GLU 110 17.719 15.083 1.873 826 HG3 GLU 110 1HG GLU 110 19.427 14.640 1.880 827 H THR 111 H THR 111 17.124 12.567 -1.735 828 HA THR 111 HA THR 111 17.104 13.257 -4.506 829 HB THR 111 HB THR 111 19.471 13.722 -3.927 830 HG1 THR 111 1HG THR 111 20.170 11.557 -5.265 831 HG21 THR 111 3HG2 THR 111 19.601 10.824 -3.057 832 HG22 THR 111 1HG2 THR 111 19.695 12.231 -1.997 833 HG23 THR 111 2HG2 THR 111 20.973 11.928 -3.170 834 H LEU 112 H LEU 112 17.809 10.984 -5.624 835 HA LEU 112 HA LEU 112 16.449 8.863 -4.147 836 HB2 LEU 112 2HB LEU 112 15.422 9.585 -6.342 837 HB3 LEU 112 1HB LEU 112 16.913 9.107 -7.127 838 HG LEU 112 HG LEU 112 16.524 6.769 -6.403 839 HD11 LEU 112 1HD1 LEU 112 14.355 6.130 -5.520 840 HD12 LEU 112 2HD1 LEU 112 13.871 7.826 -5.449 841 HD13 LEU 112 3HD1 LEU 112 15.175 7.239 -4.421 842 HD21 LEU 112 3HD2 LEU 112 14.250 8.015 -7.945 843 HD22 LEU 112 1HD2 LEU 112 14.689 6.308 -7.954 844 HD23 LEU 112 2HD2 LEU 112 15.800 7.507 -8.616 845 HA PRO 113 HA PRO 113 20.671 7.387 -3.558 846 HB2 PRO 113 2HB PRO 113 19.120 4.860 -3.230 847 HB3 PRO 113 1HB PRO 113 20.394 5.522 -2.207 848 HG2 PRO 113 2HG PRO 113 17.903 5.747 -1.420 849 HG3 PRO 113 1HG PRO 113 18.992 7.141 -1.281 850 HD2 PRO 113 2HD PRO 113 16.844 6.610 -3.281 851 HD3 PRO 113 1HD PRO 113 17.295 8.131 -2.471 852 H ALA 114 H ALA 114 22.145 5.825 -4.458 853 HA ALA 114 HA ALA 114 21.844 5.379 -7.245 854 HB1 ALA 114 1HB ALA 114 23.993 4.199 -7.081 855 HB2 ALA 114 2HB ALA 114 23.862 4.204 -5.320 856 HB3 ALA 114 3HB ALA 114 24.044 5.725 -6.194 857 H ARG 115 H ARG 115 21.817 3.259 -4.426 858 HA ARG 115 HA ARG 115 19.937 1.569 -5.829 859 HB2 ARG 115 2HB ARG 115 22.315 0.450 -4.323 860 HB3 ARG 115 1HB ARG 115 20.916 -0.466 -4.832 861 HG2 ARG 115 2HG ARG 115 21.543 0.202 -7.210 862 HG3 ARG 115 1HG ARG 115 23.090 0.717 -6.526 863 HD2 ARG 115 2HD ARG 115 21.875 -2.047 -6.406 864 HD3 ARG 115 1HD ARG 115 23.295 -1.558 -7.324 865 HE ARG 115 HE ARG 115 24.197 -0.985 -4.992 866 HH11 ARG 115 1HH1 ARG 115 22.167 -3.801 -5.747 867 HH12 ARG 115 2HH1 ARG 115 22.728 -4.717 -4.423 868 HH21 ARG 115 1HH2 ARG 115 25.003 -2.311 -3.214 869 HH22 ARG 115 2HH2 ARG 115 24.399 -3.888 -3.006 870 H GLU 116 H GLU 116 18.258 1.378 -4.627 871 HA GLU 116 HA GLU 116 18.656 1.377 -1.770 872 HB2 GLU 116 2HB GLU 116 16.430 2.650 -1.573 873 HB3 GLU 116 1HB GLU 116 17.883 3.555 -1.956 874 HG2 GLU 116 2HG GLU 116 17.132 4.130 -4.018 875 HG3 GLU 116 1HG GLU 116 16.267 2.620 -4.266 876 H PHE 117 H PHE 117 15.569 1.267 -3.472 877 HA PHE 117 HA PHE 117 15.294 -1.493 -2.587 878 HB2 PHE 117 2HB PHE 117 13.077 0.577 -2.608 879 HB3 PHE 117 1HB PHE 117 13.064 -1.010 -1.827 880 HD1 PHE 117 2HD PHE 117 14.771 -1.404 0.000 881 HD2 PHE 117 1HD PHE 117 13.730 2.449 -1.389 882 HE1 PHE 117 2HE PHE 117 15.773 -0.374 2.040 883 HE2 PHE 117 1HE PHE 117 14.725 3.470 0.596 884 HZ PHE 117 HZ PHE 117 15.748 2.055 2.313 885 H GLN 118 H GLN 118 15.584 -2.355 -4.400 886 HA GLN 118 HA GLN 118 14.624 -1.064 -6.839 887 HB2 GLN 118 2HB GLN 118 16.157 -2.565 -8.036 888 HB3 GLN 118 1HB GLN 118 16.964 -1.548 -6.854 889 HG2 GLN 118 2HG GLN 118 17.032 -3.433 -5.288 890 HG3 GLN 118 1HG GLN 118 16.229 -4.445 -6.486 891 HE21 GLN 118 1HE2 GLN 118 17.726 -3.296 -8.729 892 HE22 GLN 118 2HE2 GLN 118 19.308 -3.957 -8.599 893 H HIS 119 H HIS 119 14.097 -2.611 -8.646 894 HA HIS 119 HA HIS 119 12.907 -4.231 -9.668 895 HB2 HIS 119 2HB HIS 119 12.774 -5.700 -7.009 896 HB3 HIS 119 1HB HIS 119 12.353 -6.371 -8.568 897 HD1 HIS 119 1HD HIS 119 14.616 -7.438 -6.470 898 HD2 HIS 119 2HD HIS 119 15.219 -5.373 -10.044 899 HE1 HIS 119 1HE HIS 119 16.952 -7.940 -7.180 900 H VAL 120 H VAL 120 11.801 -1.989 -7.929 901 HA VAL 120 HA VAL 120 9.252 -3.019 -7.096 902 HB VAL 120 HB VAL 120 8.637 -0.697 -6.495 903 HG11 VAL 120 1HG1 VAL 120 10.276 -0.386 -4.704 904 HG12 VAL 120 2HG1 VAL 120 11.349 -1.538 -5.497 905 HG13 VAL 120 3HG1 VAL 120 9.796 -2.075 -4.865 906 HG21 VAL 120 3HG2 VAL 120 11.384 0.009 -7.508 907 HG22 VAL 120 1HG2 VAL 120 10.290 1.096 -6.656 908 HG23 VAL 120 2HG2 VAL 120 9.856 0.484 -8.254 909 H ASP 121 H ASP 121 7.251 -2.377 -7.830 910 HA ASP 121 HA ASP 121 7.158 -2.452 -10.727 911 HB2 ASP 121 2HB ASP 121 5.558 -3.802 -9.512 912 HB3 ASP 121 1HB ASP 121 4.896 -2.406 -8.695 913 H LYS 122 H LYS 122 6.720 -0.028 -8.289 914 HA LYS 122 HA LYS 122 6.707 2.031 -10.309 915 HB2 LYS 122 2HB LYS 122 4.271 1.255 -9.986 916 HB3 LYS 122 1HB LYS 122 4.437 1.887 -8.358 917 HG2 LYS 122 2HG LYS 122 3.289 3.511 -9.637 918 HG3 LYS 122 1HG LYS 122 4.915 4.121 -9.332 919 HD2 LYS 122 2HD LYS 122 4.394 4.574 -11.629 920 HD3 LYS 122 1HD LYS 122 5.562 3.249 -11.560 921 HE2 LYS 122 2HE LYS 122 3.822 1.632 -11.932 922 HE3 LYS 122 1HE LYS 122 2.590 2.896 -11.889 923 HZ1 LYS 122 3HZ LYS 122 3.588 3.856 -13.853 924 HZ2 LYS 122 1HZ LYS 122 3.108 2.267 -14.134 925 HZ3 LYS 122 2HZ LYS 122 4.752 2.630 -13.910 926 H TYR 123 H TYR 123 7.023 4.031 -9.361 927 HA TYR 123 HA TYR 123 7.828 4.125 -6.538 928 HB2 TYR 123 2HB TYR 123 8.864 5.502 -8.976 929 HB3 TYR 123 1HB TYR 123 8.782 6.458 -7.507 930 HD1 TYR 123 1HD TYR 123 10.280 3.424 -9.011 931 HD2 TYR 123 2HD TYR 123 10.347 6.181 -5.774 932 HE1 TYR 123 1HE TYR 123 12.430 2.490 -8.250 933 HE2 TYR 123 2HE TYR 123 12.432 5.278 -5.008 934 HH TYR 123 HH TYR 123 13.800 3.266 -5.171 935 H VAL 124 H VAL 124 6.658 5.379 -5.241 936 HA VAL 124 HA VAL 124 4.824 7.318 -6.421 937 HB VAL 124 HB VAL 124 2.957 6.559 -4.934 938 HG11 VAL 124 1HG1 VAL 124 2.924 5.918 -7.271 939 HG12 VAL 124 2HG1 VAL 124 2.257 4.625 -6.270 940 HG13 VAL 124 3HG1 VAL 124 3.893 4.490 -6.911 941 HG21 VAL 124 3HG2 VAL 124 4.699 4.138 -4.483 942 HG22 VAL 124 1HG2 VAL 124 3.015 4.294 -3.984 943 HG23 VAL 124 2HG2 VAL 124 4.245 5.340 -3.273 944 H LEU 125 H LEU 125 3.566 8.277 -4.344 945 HA LEU 125 HA LEU 125 5.566 9.748 -2.930 946 HB2 LEU 125 2HB LEU 125 2.581 9.584 -2.498 947 HB3 LEU 125 1HB LEU 125 3.641 10.671 -1.654 948 HG LEU 125 HG LEU 125 4.088 11.824 -3.843 949 HD11 LEU 125 1HD1 LEU 125 2.541 11.441 -5.698 950 HD12 LEU 125 2HD1 LEU 125 1.834 10.074 -4.833 951 HD13 LEU 125 3HD1 LEU 125 3.510 10.002 -5.376 952 HD21 LEU 125 3HD2 LEU 125 2.503 12.696 -2.236 953 HD22 LEU 125 1HD2 LEU 125 1.243 11.645 -2.872 954 HD23 LEU 125 2HD2 LEU 125 1.889 12.945 -3.872 955 H ASP 126 H ASP 126 6.093 9.625 -0.741 956 HA ASP 126 HA ASP 126 5.246 7.308 0.777 957 HB2 ASP 126 2HB ASP 126 7.528 8.374 1.104 958 HB3 ASP 126 1HB ASP 126 6.728 9.830 1.660 959 H ASN 127 H ASN 127 3.049 7.423 1.114 960 HA ASN 127 HA ASN 127 1.867 10.006 1.619 961 HB2 ASN 127 2HB ASN 127 1.038 8.331 -0.111 962 HB3 ASN 127 1HB ASN 127 0.513 7.357 1.262 963 HD21 ASN 127 1HD2 ASN 127 -0.965 8.247 2.667 964 HD22 ASN 127 2HD2 ASN 127 -2.018 9.517 2.128 965 H GLY 128 H GLY 128 2.605 10.340 3.645 966 HA2 GLY 128 2HA GLY 128 0.934 9.378 5.713 967 HA3 GLY 128 1HA GLY 128 2.520 8.618 5.811 968 H GLN 129 H GLN 129 1.842 11.838 4.653 969 HA GLN 129 HA GLN 129 3.741 12.911 6.556 970 HB2 GLN 129 2HB GLN 129 3.768 13.548 4.124 971 HB3 GLN 129 1HB GLN 129 2.195 14.293 4.349 972 HG2 GLN 129 2HG GLN 129 3.875 15.995 4.383 973 HG3 GLN 129 1HG GLN 129 3.201 15.827 6.002 974 HE21 GLN 129 1HE2 GLN 129 5.975 15.345 3.998 975 HE22 GLN 129 2HE2 GLN 129 7.096 15.034 5.269 976 H GLY 130 H GLY 130 2.885 13.284 8.500 977 HA2 GLY 130 2HA GLY 130 0.327 14.729 8.600 978 HA3 GLY 130 1HA GLY 130 0.644 13.365 9.665 979 H GLY 131 H GLY 131 3.153 13.760 10.535 980 HA2 GLY 131 2HA GLY 131 4.461 15.038 11.941 981 HA3 GLY 131 1HA GLY 131 3.552 16.463 11.441 982 H ALA 132 H ALA 132 1.982 13.638 12.569 983 HA ALA 132 HA ALA 132 0.855 15.166 14.774 984 HB1 ALA 132 1HB ALA 132 0.046 12.488 13.643 985 HB2 ALA 132 2HB ALA 132 -0.691 14.042 13.250 986 HB3 ALA 132 3HB ALA 132 -0.821 13.391 14.883 987 H GLY 133 H GLY 133 1.271 14.709 16.864 988 HA2 GLY 133 2HA GLY 133 2.645 12.215 17.477 989 HA3 GLY 133 1HA GLY 133 3.404 13.732 17.945 990 H SER 134 H SER 134 2.620 11.776 19.764 991 HA SER 134 HA SER 134 0.113 12.541 20.874 992 HB2 SER 134 2HB SER 134 2.290 10.725 21.913 993 HB3 SER 134 1HB SER 134 0.645 10.835 22.549 994 HG SER 134 HG SER 134 1.387 9.208 20.747 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -2.633 10.513 -13.386 2 H2 MET 1 2HT MET 1 -2.521 8.895 -13.844 3 H3 MET 1 3HT MET 1 -3.482 9.334 -12.537 4 HA MET 1 HA MET 1 -3.960 10.149 -15.343 5 HB2 MET 1 2HB MET 1 -5.442 8.188 -13.567 6 HB3 MET 1 1HB MET 1 -6.034 8.775 -15.111 7 HG2 MET 1 2HG MET 1 -3.562 7.122 -14.656 8 HG3 MET 1 1HG MET 1 -5.092 6.559 -15.323 9 HE1 MET 1 2HE MET 1 -2.341 6.038 -16.783 10 HE2 MET 1 3HE MET 1 -2.769 6.427 -18.449 11 HE3 MET 1 1HE MET 1 -3.903 5.540 -17.431 12 H GLY 2 H GLY 2 -5.062 10.153 -11.988 13 HA2 GLY 2 2HA GLY 2 -5.805 12.572 -11.453 14 HA3 GLY 2 1HA GLY 2 -7.101 12.145 -12.588 15 H GLU 3 H GLU 3 -5.368 10.895 -9.863 16 HA GLU 3 HA GLU 3 -7.267 8.866 -9.403 17 HB2 GLU 3 2HB GLU 3 -4.952 9.796 -7.716 18 HB3 GLU 3 1HB GLU 3 -5.961 8.416 -7.325 19 HG2 GLU 3 2HG GLU 3 -3.980 7.563 -8.341 20 HG3 GLU 3 1HG GLU 3 -5.272 7.392 -9.517 21 H ASN 4 H ASN 4 -8.675 8.573 -7.770 22 HA ASN 4 HA ASN 4 -9.666 11.025 -6.480 23 HB2 ASN 4 2HB ASN 4 -11.147 8.607 -7.579 24 HB3 ASN 4 1HB ASN 4 -11.887 9.644 -6.399 25 HD21 ASN 4 1HD2 ASN 4 -9.826 10.845 -9.070 26 HD22 ASN 4 2HD2 ASN 4 -11.133 11.597 -9.900 27 H LYS 5 H LYS 5 -7.699 9.230 -5.793 28 HA LYS 5 HA LYS 5 -7.642 7.122 -4.317 29 HB2 LYS 5 2HB LYS 5 -6.028 8.043 -2.682 30 HB3 LYS 5 1HB LYS 5 -5.679 8.489 -4.341 31 HG2 LYS 5 2HG LYS 5 -6.502 10.725 -3.970 32 HG3 LYS 5 1HG LYS 5 -7.062 10.293 -2.355 33 HD2 LYS 5 2HD LYS 5 -4.711 9.839 -1.709 34 HD3 LYS 5 1HD LYS 5 -4.195 10.369 -3.311 35 HE2 LYS 5 2HE LYS 5 -5.130 12.586 -2.892 36 HE3 LYS 5 1HE LYS 5 -5.710 12.062 -1.316 37 HZ1 LYS 5 3HZ LYS 5 -3.390 11.728 -0.632 38 HZ2 LYS 5 1HZ LYS 5 -3.656 13.308 -1.138 39 HZ3 LYS 5 2HZ LYS 5 -2.863 12.243 -2.151 40 H VAL 6 H VAL 6 -9.360 6.245 -3.344 41 HA VAL 6 HA VAL 6 -10.640 7.641 -1.243 42 HB VAL 6 HB VAL 6 -12.004 6.160 -2.612 43 HG11 VAL 6 1HG1 VAL 6 -11.827 3.718 -2.521 44 HG12 VAL 6 2HG1 VAL 6 -10.326 3.876 -1.608 45 HG13 VAL 6 3HG1 VAL 6 -10.421 4.482 -3.262 46 HG21 VAL 6 3HG2 VAL 6 -13.145 4.864 -0.860 47 HG22 VAL 6 1HG2 VAL 6 -12.745 6.500 -0.335 48 HG23 VAL 6 2HG2 VAL 6 -11.771 5.136 0.212 49 H CYS 7 H CYS 7 -9.726 7.943 0.536 50 HA CYS 7 HA CYS 7 -7.914 6.041 1.844 51 HB2 CYS 7 2HB CYS 7 -8.904 8.809 2.637 52 HB3 CYS 7 1HB CYS 7 -7.596 7.907 3.404 53 HG CYS 7 HG CYS 7 -6.200 7.823 0.886 54 H GLY 8 H GLY 8 -8.497 5.855 4.334 55 HA2 GLY 8 2HA GLY 8 -10.480 4.028 4.568 56 HA3 GLY 8 1HA GLY 8 -9.942 5.028 5.904 57 H LEU 9 H LEU 9 -12.458 4.143 3.941 58 HA LEU 9 HA LEU 9 -14.238 6.180 4.981 59 HB2 LEU 9 2HB LEU 9 -13.274 6.474 2.503 60 HB3 LEU 9 1HB LEU 9 -14.362 5.161 2.138 61 HG LEU 9 HG LEU 9 -15.227 7.851 3.234 62 HD11 LEU 9 1HD1 LEU 9 -14.284 8.078 1.018 63 HD12 LEU 9 2HD1 LEU 9 -16.036 8.286 0.983 64 HD13 LEU 9 3HD1 LEU 9 -15.316 6.774 0.435 65 HD21 LEU 9 3HD2 LEU 9 -16.743 6.011 3.752 66 HD22 LEU 9 1HD2 LEU 9 -16.823 5.604 2.039 67 HD23 LEU 9 2HD2 LEU 9 -17.433 7.163 2.617 68 H THR 10 H THR 10 -16.404 5.096 5.191 69 HA THR 10 HA THR 10 -15.918 2.193 5.431 70 HB THR 10 HB THR 10 -17.620 2.373 7.277 71 HG1 THR 10 1HG THR 10 -18.261 4.427 7.876 72 HG21 THR 10 3HG2 THR 10 -15.168 4.078 7.447 73 HG22 THR 10 1HG2 THR 10 -15.204 2.338 7.725 74 HG23 THR 10 2HG2 THR 10 -16.038 3.429 8.851 75 H ARG 11 H ARG 11 -17.738 4.617 4.211 76 HA ARG 11 HA ARG 11 -20.107 3.062 3.780 77 HB2 ARG 11 2HB ARG 11 -19.426 5.851 2.885 78 HB3 ARG 11 1HB ARG 11 -21.021 5.140 2.740 79 HG2 ARG 11 2HG ARG 11 -20.983 4.900 5.257 80 HG3 ARG 11 1HG ARG 11 -19.516 5.879 5.232 81 HD2 ARG 11 2HD ARG 11 -22.219 6.677 4.184 82 HD3 ARG 11 1HD ARG 11 -21.485 7.239 5.682 83 HE ARG 11 HE ARG 11 -19.781 7.857 3.526 84 HH11 ARG 11 1HH1 ARG 11 -22.925 8.800 4.822 85 HH12 ARG 11 2HH1 ARG 11 -22.861 10.384 4.206 86 HH21 ARG 11 1HH2 ARG 11 -19.725 9.964 2.621 87 HH22 ARG 11 2HH2 ARG 11 -20.996 11.084 2.881 88 H GLY 12 H GLY 12 -19.994 1.585 2.222 89 HA2 GLY 12 2HA GLY 12 -18.224 1.322 0.082 90 HA3 GLY 12 1HA GLY 12 -19.851 0.628 0.251 91 H GLN 13 H GLN 13 -21.319 2.750 0.264 92 HA GLN 13 HA GLN 13 -21.657 3.212 -2.513 93 HB2 GLN 13 2HB GLN 13 -23.230 3.984 -0.071 94 HB3 GLN 13 1HB GLN 13 -23.639 4.631 -1.649 95 HG2 GLN 13 2HG GLN 13 -25.036 2.699 -1.087 96 HG3 GLN 13 1HG GLN 13 -24.056 2.415 -2.509 97 HE21 GLN 13 1HE2 GLN 13 -22.803 2.083 0.818 98 HE22 GLN 13 2HE2 GLN 13 -22.628 0.388 0.750 99 H ASP 14 H ASP 14 -20.106 4.800 -0.032 100 HA ASP 14 HA ASP 14 -20.076 7.407 -1.363 101 HB2 ASP 14 2HB ASP 14 -20.283 7.006 1.191 102 HB3 ASP 14 1HB ASP 14 -18.625 6.536 1.149 103 H ALA 15 H ALA 15 -17.958 4.811 -0.322 104 HA ALA 15 HA ALA 15 -15.502 5.705 -1.312 105 HB1 ALA 15 1HB ALA 15 -14.821 3.349 -1.116 106 HB2 ALA 15 2HB ALA 15 -16.519 2.904 -0.880 107 HB3 ALA 15 3HB ALA 15 -15.710 3.910 0.304 108 H LYS 16 H LYS 16 -18.150 4.116 -2.922 109 HA LYS 16 HA LYS 16 -16.786 3.195 -5.158 110 HB2 LYS 16 2HB LYS 16 -18.844 3.041 -6.338 111 HB3 LYS 16 1HB LYS 16 -19.097 2.515 -4.690 112 HG2 LYS 16 2HG LYS 16 -20.090 4.776 -4.218 113 HG3 LYS 16 1HG LYS 16 -19.963 5.116 -5.946 114 HD2 LYS 16 2HD LYS 16 -21.534 2.849 -4.705 115 HD3 LYS 16 1HD LYS 16 -22.220 4.345 -5.330 116 HE2 LYS 16 2HE LYS 16 -20.605 2.435 -6.992 117 HE3 LYS 16 1HE LYS 16 -22.361 2.313 -6.848 118 HZ1 LYS 16 3HZ LYS 16 -20.831 4.608 -8.017 119 HZ2 LYS 16 1HZ LYS 16 -22.503 4.536 -7.824 120 HZ3 LYS 16 2HZ LYS 16 -21.725 3.467 -8.843 121 H ALA 17 H ALA 17 -17.593 6.387 -4.323 122 HA ALA 17 HA ALA 17 -17.605 7.724 -6.741 123 HB1 ALA 17 1HB ALA 17 -16.838 9.684 -5.525 124 HB2 ALA 17 2HB ALA 17 -16.250 8.666 -4.215 125 HB3 ALA 17 3HB ALA 17 -17.978 8.776 -4.524 126 H ALA 18 H ALA 18 -14.809 6.370 -5.051 127 HA ALA 18 HA ALA 18 -12.897 7.608 -6.794 128 HB1 ALA 18 1HB ALA 18 -11.282 6.142 -5.632 129 HB2 ALA 18 2HB ALA 18 -12.653 5.345 -4.832 130 HB3 ALA 18 3HB ALA 18 -12.321 7.042 -4.525 131 H TYR 19 H TYR 19 -14.705 4.721 -6.735 132 HA TYR 19 HA TYR 19 -13.227 3.386 -8.821 133 HB2 TYR 19 2HB TYR 19 -14.169 1.707 -7.652 134 HB3 TYR 19 1HB TYR 19 -15.461 2.716 -7.025 135 HD1 TYR 19 2HD TYR 19 -14.326 0.593 -9.839 136 HD2 TYR 19 1HD TYR 19 -17.600 2.611 -8.053 137 HE1 TYR 19 2HE TYR 19 -15.870 -0.598 -11.348 138 HE2 TYR 19 1HE TYR 19 -19.163 1.427 -9.542 139 HH TYR 19 HH TYR 19 -18.307 -1.272 -11.291 140 H ASP 20 H ASP 20 -16.064 5.255 -8.405 141 HA ASP 20 HA ASP 20 -17.329 5.223 -10.881 142 HB2 ASP 20 2HB ASP 20 -18.176 6.238 -8.793 143 HB3 ASP 20 1HB ASP 20 -16.978 7.511 -8.940 144 H ALA 21 H ALA 21 -14.405 6.721 -9.884 145 HA ALA 21 HA ALA 21 -14.070 8.565 -12.014 146 HB1 ALA 21 1HB ALA 21 -12.866 8.756 -9.897 147 HB2 ALA 21 2HB ALA 21 -11.761 8.693 -11.270 148 HB3 ALA 21 3HB ALA 21 -12.005 7.261 -10.268 149 H GLY 22 H GLY 22 -13.777 5.146 -11.853 150 HA2 GLY 22 2HA GLY 22 -13.701 4.280 -14.235 151 HA3 GLY 22 1HA GLY 22 -12.199 5.186 -14.346 152 H ALA 23 H ALA 23 -13.102 3.530 -11.439 153 HA ALA 23 HA ALA 23 -12.129 1.878 -10.206 154 HB1 ALA 23 1HB ALA 23 -11.852 -0.267 -11.345 155 HB2 ALA 23 2HB ALA 23 -11.871 0.546 -12.909 156 HB3 ALA 23 3HB ALA 23 -13.319 0.538 -11.906 157 H ILE 24 H ILE 24 -10.368 3.942 -10.988 158 HA ILE 24 HA ILE 24 -7.935 3.132 -12.163 159 HB ILE 24 HB ILE 24 -8.121 5.257 -10.036 160 HG12 ILE 24 2HG1 ILE 24 -8.720 5.652 -12.979 161 HG13 ILE 24 1HG1 ILE 24 -9.949 5.618 -11.720 162 HG21 ILE 24 1HG2 ILE 24 -6.348 4.952 -12.461 163 HG22 ILE 24 2HG2 ILE 24 -5.879 4.714 -10.778 164 HG23 ILE 24 3HG2 ILE 24 -6.328 6.320 -11.350 165 HD11 ILE 24 3HD1 ILE 24 -7.686 7.591 -11.911 166 HD12 ILE 24 1HD1 ILE 24 -8.919 7.560 -10.662 167 HD13 ILE 24 2HD1 ILE 24 -9.373 7.915 -12.333 168 H TYR 25 H TYR 25 -8.464 3.964 -8.808 169 HA TYR 25 HA TYR 25 -7.174 1.845 -7.488 170 HB2 TYR 25 2HB TYR 25 -4.946 2.275 -7.951 171 HB3 TYR 25 1HB TYR 25 -5.409 3.688 -8.873 172 HD1 TYR 25 1HD TYR 25 -5.416 5.859 -7.854 173 HD2 TYR 25 2HD TYR 25 -4.163 2.431 -5.716 174 HE1 TYR 25 1HE TYR 25 -4.355 7.300 -6.246 175 HE2 TYR 25 2HE TYR 25 -3.088 3.830 -4.076 176 HH TYR 25 HH TYR 25 -3.604 7.211 -3.869 177 H GLY 26 H GLY 26 -7.073 2.252 -5.275 178 HA2 GLY 26 2HA GLY 26 -8.255 4.800 -4.408 179 HA3 GLY 26 1HA GLY 26 -8.703 3.244 -3.685 180 H GLY 27 H GLY 27 -7.286 5.697 -2.547 181 HA2 GLY 27 2HA GLY 27 -4.694 4.447 -1.988 182 HA3 GLY 27 1HA GLY 27 -4.978 6.184 -1.966 183 H LEU 28 H LEU 28 -5.808 3.164 -0.396 184 HA LEU 28 HA LEU 28 -6.070 4.676 2.036 185 HB2 LEU 28 2HB LEU 28 -7.627 2.937 2.943 186 HB3 LEU 28 1HB LEU 28 -8.299 3.914 1.678 187 HG LEU 28 HG LEU 28 -9.134 1.685 1.511 188 HD11 LEU 28 1HD1 LEU 28 -7.194 2.065 -0.731 189 HD12 LEU 28 2HD1 LEU 28 -8.756 2.847 -0.561 190 HD13 LEU 28 3HD1 LEU 28 -8.674 1.100 -0.754 191 HD21 LEU 28 3HD2 LEU 28 -6.305 0.688 1.239 192 HD22 LEU 28 1HD2 LEU 28 -7.763 -0.292 1.128 193 HD23 LEU 28 2HD2 LEU 28 -7.331 0.480 2.662 194 H ILE 29 H ILE 29 -5.258 3.875 3.785 195 HA ILE 29 HA ILE 29 -3.218 1.779 3.341 196 HB ILE 29 HB ILE 29 -3.061 4.006 5.303 197 HG12 ILE 29 2HG1 ILE 29 -1.873 3.886 2.537 198 HG13 ILE 29 1HG1 ILE 29 -3.233 4.884 3.051 199 HG21 ILE 29 1HG2 ILE 29 -0.619 3.453 5.190 200 HG22 ILE 29 2HG2 ILE 29 -1.112 2.060 4.180 201 HG23 ILE 29 3HG2 ILE 29 -1.656 2.178 5.844 202 HD11 ILE 29 3HD1 ILE 29 -0.412 5.123 4.069 203 HD12 ILE 29 1HD1 ILE 29 -1.773 6.152 4.509 204 HD13 ILE 29 2HD1 ILE 29 -1.157 6.166 2.856 205 H PHE 30 H PHE 30 -2.752 0.362 5.203 206 HA PHE 30 HA PHE 30 -5.193 -0.237 6.624 207 HB2 PHE 30 2HB PHE 30 -2.591 -1.665 7.120 208 HB3 PHE 30 1HB PHE 30 -4.228 -2.272 7.279 209 HD1 PHE 30 1HD PHE 30 -5.441 -3.095 5.315 210 HD2 PHE 30 2HD PHE 30 -1.470 -1.590 5.094 211 HE1 PHE 30 1HE PHE 30 -5.175 -4.090 3.061 212 HE2 PHE 30 2HE PHE 30 -1.182 -2.544 2.909 213 HZ PHE 30 HZ PHE 30 -3.010 -3.801 1.846 214 H VAL 31 H VAL 31 -4.894 1.934 7.771 215 HA VAL 31 HA VAL 31 -3.184 1.456 10.080 216 HB VAL 31 HB VAL 31 -4.875 3.917 9.523 217 HG11 VAL 31 1HG1 VAL 31 -4.576 3.496 11.888 218 HG12 VAL 31 2HG1 VAL 31 -3.655 4.925 11.397 219 HG13 VAL 31 3HG1 VAL 31 -2.834 3.381 11.672 220 HG21 VAL 31 3HG2 VAL 31 -1.888 3.503 9.319 221 HG22 VAL 31 1HG2 VAL 31 -2.731 5.036 9.087 222 HG23 VAL 31 2HG2 VAL 31 -2.999 3.702 7.962 223 H ALA 32 H ALA 32 -3.901 0.562 11.810 224 HA ALA 32 HA ALA 32 -6.246 -0.774 11.991 225 HB1 ALA 32 1HB ALA 32 -5.724 -1.132 14.325 226 HB2 ALA 32 2HB ALA 32 -4.577 0.207 14.286 227 HB3 ALA 32 3HB ALA 32 -4.271 -1.244 13.332 228 H THR 33 H THR 33 -8.104 0.048 11.786 229 HA THR 33 HA THR 33 -10.045 0.996 12.182 230 HB THR 33 HB THR 33 -10.725 1.414 14.556 231 HG1 THR 33 1HG THR 33 -9.296 1.575 16.068 232 HG21 THR 33 3HG2 THR 33 -9.181 -1.082 13.975 233 HG22 THR 33 1HG2 THR 33 -10.870 -0.789 13.578 234 HG23 THR 33 2HG2 THR 33 -10.372 -0.918 15.272 235 H SER 34 H SER 34 -7.977 2.714 11.264 236 HA SER 34 HA SER 34 -8.482 5.283 12.412 237 HB2 SER 34 2HB SER 34 -6.316 4.705 11.405 238 HB3 SER 34 1HB SER 34 -7.113 4.448 9.855 239 HG SER 34 HG SER 34 -6.301 6.735 11.069 240 HA PRO 35 HA PRO 35 -11.910 5.918 9.625 241 HB2 PRO 35 2HB PRO 35 -12.510 8.467 10.274 242 HB3 PRO 35 1HB PRO 35 -12.940 7.099 11.300 243 HG2 PRO 35 2HG PRO 35 -10.838 9.135 11.674 244 HG3 PRO 35 1HG PRO 35 -11.666 8.147 12.881 245 HD2 PRO 35 2HD PRO 35 -9.069 7.724 11.795 246 HD3 PRO 35 1HD PRO 35 -9.973 6.653 12.880 247 H ARG 36 H ARG 36 -8.915 7.048 9.228 248 HA ARG 36 HA ARG 36 -9.689 8.341 6.696 249 HB2 ARG 36 2HB ARG 36 -7.684 9.737 6.773 250 HB3 ARG 36 1HB ARG 36 -8.677 10.020 8.187 251 HG2 ARG 36 2HG ARG 36 -7.159 8.562 9.491 252 HG3 ARG 36 1HG ARG 36 -6.147 8.393 8.054 253 HD2 ARG 36 2HD ARG 36 -5.222 10.104 9.498 254 HD3 ARG 36 1HD ARG 36 -5.840 10.844 8.024 255 HE ARG 36 HE ARG 36 -7.906 10.963 9.810 256 HH11 ARG 36 1HH1 ARG 36 -4.593 12.256 9.725 257 HH12 ARG 36 2HH1 ARG 36 -4.964 13.576 10.751 258 HH21 ARG 36 1HH2 ARG 36 -8.349 12.795 11.224 259 HH22 ARG 36 2HH2 ARG 36 -7.099 13.876 11.600 260 H CYS 37 H CYS 37 -8.616 5.607 7.904 261 HA CYS 37 HA CYS 37 -7.222 4.811 5.533 262 HB2 CYS 37 2HB CYS 37 -5.904 4.848 8.237 263 HB3 CYS 37 1HB CYS 37 -5.289 3.874 6.901 264 HG CYS 37 HG CYS 37 -5.623 6.978 5.902 265 H VAL 38 H VAL 38 -7.840 2.716 5.104 266 HA VAL 38 HA VAL 38 -9.427 1.377 7.190 267 HB VAL 38 HB VAL 38 -9.872 1.949 4.328 268 HG11 VAL 38 1HG1 VAL 38 -9.370 -0.415 4.080 269 HG12 VAL 38 2HG1 VAL 38 -11.093 -0.106 3.849 270 HG13 VAL 38 3HG1 VAL 38 -10.515 -0.805 5.363 271 HG21 VAL 38 3HG2 VAL 38 -11.691 1.008 6.499 272 HG22 VAL 38 1HG2 VAL 38 -12.179 1.722 4.972 273 HG23 VAL 38 2HG2 VAL 38 -11.319 2.707 6.171 274 H ASN 39 H ASN 39 -9.113 -0.554 7.743 275 HA ASN 39 HA ASN 39 -6.733 -1.947 6.701 276 HB2 ASN 39 2HB ASN 39 -6.882 -3.240 8.866 277 HB3 ASN 39 1HB ASN 39 -6.376 -1.576 9.030 278 HD21 ASN 39 1HD2 ASN 39 -8.678 -3.901 9.785 279 HD22 ASN 39 2HD2 ASN 39 -9.702 -2.873 10.745 280 H VAL 40 H VAL 40 -6.862 -4.336 7.045 281 HA VAL 40 HA VAL 40 -8.330 -5.386 5.018 282 HB VAL 40 HB VAL 40 -6.480 -6.586 6.012 283 HG11 VAL 40 1HG1 VAL 40 -6.817 -6.067 8.321 284 HG12 VAL 40 2HG1 VAL 40 -6.662 -7.814 8.113 285 HG13 VAL 40 3HG1 VAL 40 -8.253 -7.091 8.382 286 HG21 VAL 40 3HG2 VAL 40 -9.007 -8.228 6.155 287 HG22 VAL 40 1HG2 VAL 40 -7.371 -8.887 6.080 288 HG23 VAL 40 2HG2 VAL 40 -8.018 -7.959 4.725 289 H GLU 41 H GLU 41 -9.434 -4.949 8.253 290 HA GLU 41 HA GLU 41 -11.608 -6.721 8.196 291 HB2 GLU 41 2HB GLU 41 -10.869 -4.372 9.842 292 HB3 GLU 41 1HB GLU 41 -12.230 -5.429 10.216 293 HG2 GLU 41 2HG GLU 41 -10.632 -7.319 10.363 294 HG3 GLU 41 1HG GLU 41 -9.315 -6.188 10.058 295 H GLN 42 H GLN 42 -11.441 -3.137 7.849 296 HA GLN 42 HA GLN 42 -14.222 -2.909 7.186 297 HB2 GLN 42 2HB GLN 42 -11.847 -1.078 7.078 298 HB3 GLN 42 1HB GLN 42 -13.485 -0.572 6.663 299 HG2 GLN 42 2HG GLN 42 -14.167 -0.604 8.832 300 HG3 GLN 42 1HG GLN 42 -12.984 -1.837 9.309 301 HE21 GLN 42 1HE2 GLN 42 -11.039 -1.206 9.867 302 HE22 GLN 42 2HE2 GLN 42 -10.590 0.430 10.074 303 H ALA 43 H ALA 43 -11.171 -3.149 5.599 304 HA ALA 43 HA ALA 43 -11.864 -2.314 3.081 305 HB1 ALA 43 1HB ALA 43 -9.826 -3.380 2.280 306 HB2 ALA 43 2HB ALA 43 -9.712 -4.290 3.787 307 HB3 ALA 43 3HB ALA 43 -9.545 -2.537 3.806 308 H GLN 44 H GLN 44 -12.372 -5.260 4.700 309 HA GLN 44 HA GLN 44 -12.637 -7.179 2.730 310 HB2 GLN 44 2HB GLN 44 -12.866 -7.249 5.332 311 HB3 GLN 44 1HB GLN 44 -14.595 -7.067 4.995 312 HG2 GLN 44 2HG GLN 44 -14.504 -9.313 4.989 313 HG3 GLN 44 1HG GLN 44 -13.936 -9.085 3.331 314 HE21 GLN 44 1HE2 GLN 44 -11.300 -7.938 4.302 315 HE22 GLN 44 2HE2 GLN 44 -10.481 -9.275 4.964 316 H GLU 45 H GLU 45 -14.890 -4.750 3.879 317 HA GLU 45 HA GLU 45 -16.965 -5.660 2.086 318 HB2 GLU 45 2HB GLU 45 -16.898 -3.440 4.100 319 HB3 GLU 45 1HB GLU 45 -18.270 -3.739 3.039 320 HG2 GLU 45 2HG GLU 45 -17.103 -5.659 5.010 321 HG3 GLU 45 1HG GLU 45 -18.614 -4.757 5.216 322 H VAL 46 H VAL 46 -14.912 -2.823 2.466 323 HA VAL 46 HA VAL 46 -16.110 -1.337 0.427 324 HB VAL 46 HB VAL 46 -14.516 -0.468 2.234 325 HG11 VAL 46 1HG1 VAL 46 -12.306 -1.032 0.331 326 HG12 VAL 46 2HG1 VAL 46 -12.802 -2.144 1.564 327 HG13 VAL 46 3HG1 VAL 46 -12.222 -0.529 2.044 328 HG21 VAL 46 3HG2 VAL 46 -15.351 0.994 0.483 329 HG22 VAL 46 1HG2 VAL 46 -14.054 0.466 -0.590 330 HG23 VAL 46 2HG2 VAL 46 -13.674 1.376 0.871 331 H MET 47 H MET 47 -13.635 -3.827 0.264 332 HA MET 47 HA MET 47 -12.779 -3.293 -2.378 333 HB2 MET 47 2HB MET 47 -11.751 -5.478 -2.384 334 HB3 MET 47 1HB MET 47 -11.536 -4.757 -0.796 335 HG2 MET 47 2HG MET 47 -13.299 -6.143 0.110 336 HG3 MET 47 1HG MET 47 -13.612 -6.826 -1.483 337 HE1 MET 47 3HE MET 47 -13.051 -8.584 1.144 338 HE2 MET 47 1HE MET 47 -11.977 -9.814 0.470 339 HE3 MET 47 2HE MET 47 -13.381 -9.263 -0.448 340 H ALA 48 H ALA 48 -15.582 -4.873 -1.131 341 HA ALA 48 HA ALA 48 -16.243 -6.076 -3.692 342 HB1 ALA 48 1HB ALA 48 -18.183 -6.978 -2.495 343 HB2 ALA 48 2HB ALA 48 -17.746 -6.025 -1.076 344 HB3 ALA 48 3HB ALA 48 -16.685 -7.322 -1.627 345 H ALA 49 H ALA 49 -16.855 -3.322 -1.781 346 HA ALA 49 HA ALA 49 -19.293 -2.522 -2.989 347 HB1 ALA 49 1HB ALA 49 -18.650 -1.817 -0.739 348 HB2 ALA 49 2HB ALA 49 -18.977 -0.441 -1.795 349 HB3 ALA 49 3HB ALA 49 -17.313 -0.889 -1.421 350 H ALA 50 H ALA 50 -15.806 -1.503 -3.492 351 HA ALA 50 HA ALA 50 -16.726 -0.324 -5.933 352 HB1 ALA 50 1HB ALA 50 -14.697 0.722 -3.958 353 HB2 ALA 50 2HB ALA 50 -16.284 1.413 -4.268 354 HB3 ALA 50 3HB ALA 50 -15.054 1.426 -5.536 355 HA PRO 51 HA PRO 51 -13.536 -3.401 -6.765 356 HB2 PRO 51 2HB PRO 51 -14.225 -3.875 -9.357 357 HB3 PRO 51 1HB PRO 51 -15.035 -4.627 -7.969 358 HG2 PRO 51 2HG PRO 51 -15.918 -2.329 -9.651 359 HG3 PRO 51 1HG PRO 51 -16.874 -3.644 -8.954 360 HD2 PRO 51 2HD PRO 51 -16.704 -1.115 -7.896 361 HD3 PRO 51 1HD PRO 51 -17.116 -2.559 -6.952 362 H LEU 52 H LEU 52 -12.508 -1.202 -6.460 363 HA LEU 52 HA LEU 52 -11.175 -0.411 -8.937 364 HB2 LEU 52 2HB LEU 52 -10.328 1.452 -7.418 365 HB3 LEU 52 1HB LEU 52 -11.974 1.632 -7.978 366 HG LEU 52 HG LEU 52 -12.457 0.463 -5.636 367 HD11 LEU 52 1HD1 LEU 52 -9.800 1.755 -5.111 368 HD12 LEU 52 2HD1 LEU 52 -10.187 0.029 -5.042 369 HD13 LEU 52 3HD1 LEU 52 -10.930 1.142 -3.896 370 HD21 LEU 52 3HD2 LEU 52 -11.721 3.379 -5.826 371 HD22 LEU 52 1HD2 LEU 52 -12.641 2.615 -4.524 372 HD23 LEU 52 2HD2 LEU 52 -13.308 2.647 -6.142 373 H GLN 53 H GLN 53 -8.736 0.255 -8.329 374 HA GLN 53 HA GLN 53 -7.545 -2.144 -7.396 375 HB2 GLN 53 2HB GLN 53 -6.196 -1.329 -9.033 376 HB3 GLN 53 1HB GLN 53 -6.725 0.325 -8.759 377 HG2 GLN 53 2HG GLN 53 -5.314 0.522 -6.894 378 HG3 GLN 53 1HG GLN 53 -4.758 -1.139 -7.066 379 HE21 GLN 53 1HE2 GLN 53 -2.706 -0.324 -7.236 380 HE22 GLN 53 2HE2 GLN 53 -2.091 0.363 -8.713 381 H TYR 54 H TYR 54 -6.695 -2.536 -5.437 382 HA TYR 54 HA TYR 54 -6.809 -0.393 -3.501 383 HB2 TYR 54 2HB TYR 54 -7.169 -3.369 -3.219 384 HB3 TYR 54 1HB TYR 54 -6.752 -2.365 -1.828 385 HD1 TYR 54 2HD TYR 54 -9.350 -3.077 -4.344 386 HD2 TYR 54 1HD TYR 54 -8.274 -0.842 -0.916 387 HE1 TYR 54 2HE TYR 54 -11.681 -2.321 -4.114 388 HE2 TYR 54 1HE TYR 54 -10.585 -0.064 -0.675 389 HH TYR 54 HH TYR 54 -13.189 -1.330 -2.472 390 H VAL 55 H VAL 55 -5.142 0.015 -2.160 391 HA VAL 55 HA VAL 55 -2.660 -1.292 -2.891 392 HB VAL 55 HB VAL 55 -3.034 1.010 -3.969 393 HG11 VAL 55 1HG1 VAL 55 -2.705 1.900 -1.130 394 HG12 VAL 55 2HG1 VAL 55 -4.039 2.267 -2.237 395 HG13 VAL 55 3HG1 VAL 55 -2.428 2.947 -2.510 396 HG21 VAL 55 3HG2 VAL 55 -0.866 -0.047 -3.821 397 HG22 VAL 55 1HG2 VAL 55 -0.615 0.625 -2.223 398 HG23 VAL 55 2HG2 VAL 55 -0.715 1.702 -3.623 399 H GLY 56 H GLY 56 -1.148 -1.111 -1.200 400 HA2 GLY 56 2HA GLY 56 -2.210 -0.197 1.439 401 HA3 GLY 56 1HA GLY 56 -1.445 -1.792 1.184 402 H VAL 57 H VAL 57 -0.880 0.882 2.649 403 HA VAL 57 HA VAL 57 1.945 0.840 1.855 404 HB VAL 57 HB VAL 57 0.461 3.032 3.390 405 HG11 VAL 57 1HG1 VAL 57 2.479 4.370 3.085 406 HG12 VAL 57 2HG1 VAL 57 3.275 2.988 2.323 407 HG13 VAL 57 3HG1 VAL 57 2.776 2.902 4.015 408 HG21 VAL 57 3HG2 VAL 57 0.703 4.433 1.398 409 HG22 VAL 57 1HG2 VAL 57 -0.265 3.002 1.056 410 HG23 VAL 57 2HG2 VAL 57 1.411 3.083 0.516 411 H PHE 58 H PHE 58 3.287 -0.025 3.450 412 HA PHE 58 HA PHE 58 2.177 -0.253 6.113 413 HB2 PHE 58 2HB PHE 58 1.062 -2.048 4.842 414 HB3 PHE 58 1HB PHE 58 2.618 -2.667 4.334 415 HD1 PHE 58 2HD PHE 58 1.012 -1.766 7.604 416 HD2 PHE 58 1HD PHE 58 3.166 -4.645 5.329 417 HE1 PHE 58 2HE PHE 58 1.000 -3.306 9.525 418 HE2 PHE 58 1HE PHE 58 3.148 -6.186 7.244 419 HZ PHE 58 HZ PHE 58 2.062 -5.512 9.347 420 H ARG 59 H ARG 59 3.733 -0.596 7.600 421 HA ARG 59 HA ARG 59 6.472 -0.884 6.685 422 HB2 ARG 59 2HB ARG 59 5.279 -0.771 9.463 423 HB3 ARG 59 1HB ARG 59 6.988 -1.005 9.150 424 HG2 ARG 59 2HG ARG 59 7.046 1.181 8.033 425 HG3 ARG 59 1HG ARG 59 5.349 1.414 8.465 426 HD2 ARG 59 2HD ARG 59 6.808 2.507 10.089 427 HD3 ARG 59 1HD ARG 59 5.903 1.178 10.812 428 HE ARG 59 HE ARG 59 8.401 0.238 9.918 429 HH11 ARG 59 1HH1 ARG 59 6.958 2.202 12.498 430 HH12 ARG 59 2HH1 ARG 59 8.244 1.945 13.590 431 HH21 ARG 59 1HH2 ARG 59 10.104 -0.171 11.434 432 HH22 ARG 59 2HH2 ARG 59 10.044 0.568 12.987 433 H ASN 60 H ASN 60 6.844 -2.834 5.943 434 HA ASN 60 HA ASN 60 5.240 -4.978 6.864 435 HB2 ASN 60 2HB ASN 60 7.519 -4.907 4.870 436 HB3 ASN 60 1HB ASN 60 6.486 -6.288 5.184 437 HD21 ASN 60 1HD2 ASN 60 5.881 -6.342 3.032 438 HD22 ASN 60 2HD2 ASN 60 4.778 -5.190 2.348 439 H HIS 61 H HIS 61 5.746 -5.682 8.554 440 HA HIS 61 HA HIS 61 8.533 -6.183 9.388 441 HB2 HIS 61 2HB HIS 61 6.044 -6.696 11.038 442 HB3 HIS 61 1HB HIS 61 7.699 -6.612 11.613 443 HD1 HIS 61 1HD HIS 61 8.763 -3.990 11.335 444 HD2 HIS 61 2HD HIS 61 4.635 -4.482 11.405 445 HE1 HIS 61 1HE HIS 61 7.804 -1.745 11.834 446 H ASP 62 H ASP 62 5.393 -7.783 9.426 447 HA ASP 62 HA ASP 62 6.687 -10.380 9.142 448 HB2 ASP 62 2HB ASP 62 4.815 -9.802 10.860 449 HB3 ASP 62 1HB ASP 62 3.775 -9.891 9.441 450 H ILE 63 H ILE 63 6.906 -11.030 7.148 451 HA ILE 63 HA ILE 63 5.620 -9.802 4.959 452 HB ILE 63 HB ILE 63 7.812 -10.876 4.715 453 HG12 ILE 63 2HG1 ILE 63 5.882 -12.365 2.946 454 HG13 ILE 63 1HG1 ILE 63 6.176 -10.640 2.766 455 HG21 ILE 63 1HG2 ILE 63 7.495 -12.762 6.197 456 HG22 ILE 63 2HG2 ILE 63 8.014 -13.327 4.603 457 HG23 ILE 63 3HG2 ILE 63 6.319 -13.459 5.090 458 HD11 ILE 63 3HD1 ILE 63 8.248 -12.822 2.557 459 HD12 ILE 63 1HD1 ILE 63 8.536 -11.102 2.311 460 HD13 ILE 63 2HD1 ILE 63 7.507 -11.981 1.197 461 H ALA 64 H ALA 64 4.715 -12.532 6.926 462 HA ALA 64 HA ALA 64 2.818 -13.489 4.989 463 HB1 ALA 64 1HB ALA 64 3.878 -15.071 6.511 464 HB2 ALA 64 2HB ALA 64 2.126 -15.063 6.747 465 HB3 ALA 64 3HB ALA 64 3.178 -14.228 7.887 466 H ASP 65 H ASP 65 2.895 -10.957 7.144 467 HA ASP 65 HA ASP 65 0.033 -10.911 7.676 468 HB2 ASP 65 2HB ASP 65 1.681 -9.971 9.322 469 HB3 ASP 65 1HB ASP 65 2.075 -8.714 8.159 470 H VAL 66 H VAL 66 2.398 -9.329 5.637 471 HA VAL 66 HA VAL 66 0.412 -7.663 4.433 472 HB VAL 66 HB VAL 66 2.816 -6.950 4.606 473 HG11 VAL 66 1HG1 VAL 66 4.445 -7.720 3.008 474 HG12 VAL 66 2HG1 VAL 66 3.298 -8.931 2.426 475 HG13 VAL 66 3HG1 VAL 66 3.901 -9.011 4.080 476 HG21 VAL 66 3HG2 VAL 66 2.951 -5.917 2.390 477 HG22 VAL 66 1HG2 VAL 66 1.332 -5.790 3.078 478 HG23 VAL 66 2HG2 VAL 66 1.667 -6.981 1.820 479 H VAL 67 H VAL 67 1.940 -10.737 3.603 480 HA VAL 67 HA VAL 67 0.839 -10.976 1.002 481 HB VAL 67 HB VAL 67 1.580 -13.185 2.967 482 HG11 VAL 67 1HG1 VAL 67 0.019 -14.037 1.267 483 HG12 VAL 67 2HG1 VAL 67 1.639 -14.692 1.027 484 HG13 VAL 67 3HG1 VAL 67 1.052 -13.392 -0.009 485 HG21 VAL 67 3HG2 VAL 67 3.421 -11.732 2.309 486 HG22 VAL 67 1HG2 VAL 67 3.070 -12.048 0.612 487 HG23 VAL 67 2HG2 VAL 67 3.609 -13.361 1.663 488 H ASP 68 H ASP 68 -0.331 -11.747 4.157 489 HA ASP 68 HA ASP 68 -2.763 -12.956 3.670 490 HB2 ASP 68 2HB ASP 68 -2.003 -12.751 5.921 491 HB3 ASP 68 1HB ASP 68 -1.834 -11.010 5.762 492 H LYS 69 H LYS 69 -2.060 -9.502 3.940 493 HA LYS 69 HA LYS 69 -4.680 -8.591 3.369 494 HB2 LYS 69 2HB LYS 69 -2.103 -7.086 2.843 495 HB3 LYS 69 1HB LYS 69 -3.692 -6.389 3.103 496 HG2 LYS 69 2HG LYS 69 -2.063 -7.878 5.150 497 HG3 LYS 69 1HG LYS 69 -2.261 -6.125 5.046 498 HD2 LYS 69 2HD LYS 69 -4.587 -6.305 5.498 499 HD3 LYS 69 1HD LYS 69 -4.519 -8.073 5.408 500 HE2 LYS 69 2HE LYS 69 -3.088 -6.366 7.430 501 HE3 LYS 69 1HE LYS 69 -4.583 -7.259 7.727 502 HZ1 LYS 69 3HZ LYS 69 -2.749 -8.506 8.522 503 HZ2 LYS 69 1HZ LYS 69 -1.929 -8.387 7.057 504 HZ3 LYS 69 2HZ LYS 69 -3.353 -9.298 7.137 505 H ALA 70 H ALA 70 -1.800 -9.002 1.399 506 HA ALA 70 HA ALA 70 -2.653 -8.003 -1.054 507 HB1 ALA 70 1HB ALA 70 -0.757 -10.236 -0.384 508 HB2 ALA 70 2HB ALA 70 -0.339 -8.538 -0.637 509 HB3 ALA 70 3HB ALA 70 -0.902 -9.534 -1.983 510 H LYS 71 H LYS 71 -3.167 -11.084 0.477 511 HA LYS 71 HA LYS 71 -4.344 -12.338 -1.815 512 HB2 LYS 71 2HB LYS 71 -3.139 -13.672 -0.177 513 HB3 LYS 71 1HB LYS 71 -4.262 -13.160 1.076 514 HG2 LYS 71 2HG LYS 71 -6.092 -14.202 -0.220 515 HG3 LYS 71 1HG LYS 71 -4.885 -14.846 -1.329 516 HD2 LYS 71 2HD LYS 71 -5.489 -16.554 0.269 517 HD3 LYS 71 1HD LYS 71 -3.828 -16.033 0.567 518 HE2 LYS 71 2HE LYS 71 -4.524 -14.710 2.448 519 HE3 LYS 71 1HE LYS 71 -6.223 -14.997 2.087 520 HZ1 LYS 71 3HZ LYS 71 -4.250 -17.059 2.898 521 HZ2 LYS 71 1HZ LYS 71 -5.882 -17.338 2.567 522 HZ3 LYS 71 2HZ LYS 71 -5.434 -16.394 3.883 523 H VAL 72 H VAL 72 -5.545 -11.455 1.397 524 HA VAL 72 HA VAL 72 -8.204 -12.152 1.043 525 HB VAL 72 HB VAL 72 -7.151 -9.959 2.846 526 HG11 VAL 72 1HG1 VAL 72 -9.679 -11.571 3.020 527 HG12 VAL 72 2HG1 VAL 72 -9.549 -9.857 2.604 528 HG13 VAL 72 3HG1 VAL 72 -9.093 -10.414 4.217 529 HG21 VAL 72 3HG2 VAL 72 -7.116 -11.677 4.585 530 HG22 VAL 72 1HG2 VAL 72 -5.990 -11.994 3.274 531 HG23 VAL 72 2HG2 VAL 72 -7.504 -12.909 3.373 532 H LEU 73 H LEU 73 -6.941 -8.820 0.968 533 HA LEU 73 HA LEU 73 -9.402 -7.875 -0.153 534 HB2 LEU 73 2HB LEU 73 -6.811 -6.348 0.103 535 HB3 LEU 73 1HB LEU 73 -8.377 -5.664 -0.257 536 HG LEU 73 HG LEU 73 -8.113 -5.100 1.926 537 HD11 LEU 73 1HD1 LEU 73 -10.222 -6.148 1.745 538 HD12 LEU 73 2HD1 LEU 73 -9.541 -6.507 3.335 539 HD13 LEU 73 3HD1 LEU 73 -9.522 -7.732 2.066 540 HD21 LEU 73 3HD2 LEU 73 -6.016 -6.283 2.302 541 HD22 LEU 73 1HD2 LEU 73 -6.898 -7.790 2.536 542 HD23 LEU 73 2HD2 LEU 73 -7.101 -6.452 3.675 543 H SER 74 H SER 74 -6.704 -9.312 -1.488 544 HA SER 74 HA SER 74 -5.746 -9.448 -3.500 545 HB2 SER 74 2HB SER 74 -7.974 -10.343 -4.110 546 HB3 SER 74 1HB SER 74 -8.535 -8.714 -4.473 547 HG SER 74 HG SER 74 -7.186 -8.617 -6.168 548 H LEU 75 H LEU 75 -4.467 -7.686 -2.887 549 HA LEU 75 HA LEU 75 -5.085 -5.004 -3.643 550 HB2 LEU 75 2HB LEU 75 -2.489 -6.220 -2.742 551 HB3 LEU 75 1HB LEU 75 -2.854 -4.512 -2.840 552 HG LEU 75 HG LEU 75 -4.259 -6.457 -1.024 553 HD11 LEU 75 1HD1 LEU 75 -1.923 -6.124 -0.448 554 HD12 LEU 75 2HD1 LEU 75 -3.018 -5.461 0.752 555 HD13 LEU 75 3HD1 LEU 75 -2.178 -4.373 -0.373 556 HD21 LEU 75 3HD2 LEU 75 -4.390 -3.450 -1.243 557 HD22 LEU 75 1HD2 LEU 75 -5.195 -4.430 -0.009 558 HD23 LEU 75 2HD2 LEU 75 -5.639 -4.587 -1.715 559 H ALA 76 H ALA 76 -3.089 -3.853 -4.674 560 HA ALA 76 HA ALA 76 -2.421 -5.274 -7.154 561 HB1 ALA 76 1HB ALA 76 -3.236 -2.392 -6.961 562 HB2 ALA 76 2HB ALA 76 -4.249 -3.686 -7.609 563 HB3 ALA 76 3HB ALA 76 -2.755 -3.227 -8.433 564 H ALA 77 H ALA 77 -1.645 -2.734 -4.825 565 HA ALA 77 HA ALA 77 1.119 -3.417 -5.258 566 HB1 ALA 77 1HB ALA 77 1.741 -1.040 -5.300 567 HB2 ALA 77 2HB ALA 77 0.035 -0.618 -5.434 568 HB3 ALA 77 3HB ALA 77 0.816 -1.549 -6.699 569 H VAL 78 H VAL 78 2.434 -2.707 -3.565 570 HA VAL 78 HA VAL 78 1.127 -1.716 -1.155 571 HB VAL 78 HB VAL 78 1.241 -4.143 -0.864 572 HG11 VAL 78 1HG1 VAL 78 4.156 -3.739 -1.490 573 HG12 VAL 78 2HG1 VAL 78 3.012 -4.748 -2.368 574 HG13 VAL 78 3HG1 VAL 78 3.554 -5.226 -0.747 575 HG21 VAL 78 3HG2 VAL 78 3.328 -2.718 0.786 576 HG22 VAL 78 1HG2 VAL 78 2.570 -4.250 1.218 577 HG23 VAL 78 2HG2 VAL 78 1.598 -2.777 1.125 578 H GLN 79 H GLN 79 2.448 -0.234 -0.072 579 HA GLN 79 HA GLN 79 4.942 0.311 -1.324 580 HB2 GLN 79 2HB GLN 79 3.017 1.816 0.364 581 HB3 GLN 79 1HB GLN 79 4.679 2.336 0.235 582 HG2 GLN 79 2HG GLN 79 3.368 3.544 -1.317 583 HG3 GLN 79 1HG GLN 79 4.428 2.454 -2.202 584 HE21 GLN 79 1HE2 GLN 79 3.459 0.532 -3.195 585 HE22 GLN 79 2HE2 GLN 79 1.778 0.583 -3.564 586 H LEU 80 H LEU 80 6.672 -0.250 -0.454 587 HA LEU 80 HA LEU 80 6.533 -1.618 2.094 588 HB2 LEU 80 2HB LEU 80 7.110 -2.984 0.259 589 HB3 LEU 80 1HB LEU 80 8.288 -1.834 -0.312 590 HG LEU 80 HG LEU 80 9.795 -2.414 1.500 591 HD11 LEU 80 1HD1 LEU 80 7.646 -4.336 2.382 592 HD12 LEU 80 2HD1 LEU 80 8.147 -2.883 3.247 593 HD13 LEU 80 3HD1 LEU 80 9.278 -4.223 3.044 594 HD21 LEU 80 3HD2 LEU 80 8.620 -4.769 0.061 595 HD22 LEU 80 1HD2 LEU 80 10.179 -4.750 0.881 596 HD23 LEU 80 2HD2 LEU 80 9.897 -3.698 -0.509 597 H HIS 81 H HIS 81 7.434 -0.755 3.756 598 HA HIS 81 HA HIS 81 9.391 1.340 3.464 599 HB2 HIS 81 2HB HIS 81 8.101 0.108 5.906 600 HB3 HIS 81 1HB HIS 81 9.352 1.342 5.993 601 HD1 HIS 81 1HD HIS 81 5.729 0.880 5.278 602 HD2 HIS 81 2HD HIS 81 8.564 3.905 5.161 603 HE1 HIS 81 1HE HIS 81 4.443 3.042 5.146 604 H GLY 82 H GLY 82 11.151 0.498 2.691 605 HA2 GLY 82 2HA GLY 82 12.117 -2.060 3.300 606 HA3 GLY 82 1HA GLY 82 12.999 -0.817 2.425 607 H ASN 83 H ASN 83 12.393 0.760 5.061 608 HA ASN 83 HA ASN 83 14.926 0.595 6.194 609 HB2 ASN 83 2HB ASN 83 14.004 1.889 8.118 610 HB3 ASN 83 1HB ASN 83 13.588 2.569 6.550 611 HD21 ASN 83 1HD2 ASN 83 12.372 0.989 9.400 612 HD22 ASN 83 2HD2 ASN 83 10.704 1.181 9.041 613 H GLU 84 H GLU 84 12.181 -1.426 6.756 614 HA GLU 84 HA GLU 84 12.682 -2.358 9.316 615 HB2 GLU 84 2HB GLU 84 11.031 -3.056 7.036 616 HB3 GLU 84 1HB GLU 84 11.538 -4.466 7.953 617 HG2 GLU 84 2HG GLU 84 9.325 -3.370 8.592 618 HG3 GLU 84 1HG GLU 84 10.439 -3.774 9.880 619 H GLU 85 H GLU 85 13.880 -3.663 6.224 620 HA GLU 85 HA GLU 85 16.332 -4.528 7.284 621 HB2 GLU 85 2HB GLU 85 14.551 -6.276 8.084 622 HB3 GLU 85 1HB GLU 85 14.533 -6.766 6.397 623 HG2 GLU 85 2HG GLU 85 16.951 -6.658 8.150 624 HG3 GLU 85 1HG GLU 85 16.003 -8.103 7.835 625 H GLN 86 H GLN 86 17.670 -5.044 5.385 626 HA GLN 86 HA GLN 86 16.670 -3.567 3.176 627 HB2 GLN 86 2HB GLN 86 19.310 -4.679 3.987 628 HB3 GLN 86 1HB GLN 86 19.055 -3.992 2.403 629 HG2 GLN 86 2HG GLN 86 20.057 -2.313 3.814 630 HG3 GLN 86 1HG GLN 86 18.394 -1.834 3.549 631 HE21 GLN 86 1HE2 GLN 86 19.561 -4.286 5.833 632 HE22 GLN 86 2HE2 GLN 86 19.052 -3.449 7.244 633 H LEU 87 H LEU 87 17.656 -6.808 3.791 634 HA LEU 87 HA LEU 87 17.663 -7.443 1.007 635 HB2 LEU 87 2HB LEU 87 17.978 -9.247 3.359 636 HB3 LEU 87 1HB LEU 87 18.369 -9.613 1.677 637 HG LEU 87 HG LEU 87 19.563 -7.400 3.224 638 HD11 LEU 87 1HD1 LEU 87 21.606 -8.813 3.395 639 HD12 LEU 87 2HD1 LEU 87 20.708 -10.155 2.667 640 HD13 LEU 87 3HD1 LEU 87 20.224 -9.503 4.240 641 HD21 LEU 87 3HD2 LEU 87 20.257 -8.589 0.559 642 HD22 LEU 87 1HD2 LEU 87 21.297 -7.459 1.444 643 HD23 LEU 87 2HD2 LEU 87 19.687 -6.960 0.953 644 H TYR 88 H TYR 88 15.747 -7.707 3.742 645 HA TYR 88 HA TYR 88 13.787 -9.536 3.321 646 HB2 TYR 88 2HB TYR 88 13.973 -8.336 5.319 647 HB3 TYR 88 1HB TYR 88 13.776 -6.789 4.500 648 HD1 TYR 88 2HD TYR 88 11.896 -9.980 4.853 649 HD2 TYR 88 1HD TYR 88 11.804 -5.723 4.925 650 HE1 TYR 88 2HE TYR 88 9.514 -10.064 5.418 651 HE2 TYR 88 1HE TYR 88 9.405 -5.796 5.509 652 HH TYR 88 HH TYR 88 7.930 -8.556 6.618 653 H ILE 89 H ILE 89 14.158 -6.447 1.749 654 HA ILE 89 HA ILE 89 11.566 -6.189 0.635 655 HB ILE 89 HB ILE 89 14.255 -5.170 -0.283 656 HG12 ILE 89 2HG1 ILE 89 13.231 -2.899 0.212 657 HG13 ILE 89 1HG1 ILE 89 11.923 -3.761 1.000 658 HG21 ILE 89 1HG2 ILE 89 13.084 -3.694 -1.893 659 HG22 ILE 89 2HG2 ILE 89 11.578 -4.546 -1.481 660 HG23 ILE 89 3HG2 ILE 89 12.891 -5.420 -2.271 661 HD11 ILE 89 3HD1 ILE 89 14.802 -3.968 1.677 662 HD12 ILE 89 1HD1 ILE 89 13.474 -4.725 2.540 663 HD13 ILE 89 2HD1 ILE 89 13.642 -2.957 2.520 664 H ASP 90 H ASP 90 14.427 -7.842 -0.430 665 HA ASP 90 HA ASP 90 13.529 -8.540 -3.041 666 HB2 ASP 90 2HB ASP 90 15.882 -8.511 -2.018 667 HB3 ASP 90 1HB ASP 90 15.490 -10.085 -1.379 668 H THR 91 H THR 91 12.634 -9.567 -0.034 669 HA THR 91 HA THR 91 11.990 -12.352 -0.589 670 HB THR 91 HB THR 91 11.647 -10.608 1.854 671 HG1 THR 91 1HG THR 91 13.736 -12.136 0.883 672 HG21 THR 91 3HG2 THR 91 10.156 -12.418 1.794 673 HG22 THR 91 1HG2 THR 91 11.348 -12.707 3.069 674 HG23 THR 91 2HG2 THR 91 11.467 -13.595 1.530 675 H LEU 92 H LEU 92 10.425 -9.359 0.394 676 HA LEU 92 HA LEU 92 7.807 -10.024 0.385 677 HB2 LEU 92 2HB LEU 92 9.024 -7.456 -0.549 678 HB3 LEU 92 1HB LEU 92 7.298 -7.697 -0.662 679 HG LEU 92 HG LEU 92 7.706 -6.429 1.287 680 HD11 LEU 92 1HD1 LEU 92 7.321 -9.237 2.103 681 HD12 LEU 92 2HD1 LEU 92 6.043 -8.160 1.506 682 HD13 LEU 92 3HD1 LEU 92 6.871 -7.823 3.044 683 HD21 LEU 92 3HD2 LEU 92 9.657 -8.539 2.103 684 HD22 LEU 92 1HD2 LEU 92 9.113 -7.201 3.102 685 HD23 LEU 92 2HD2 LEU 92 10.030 -6.874 1.633 686 H ARG 93 H ARG 93 9.504 -9.112 -2.534 687 HA ARG 93 HA ARG 93 7.274 -9.300 -4.300 688 HB2 ARG 93 2HB ARG 93 10.135 -9.935 -5.026 689 HB3 ARG 93 1HB ARG 93 8.821 -9.899 -6.185 690 HG2 ARG 93 2HG ARG 93 9.833 -7.866 -6.426 691 HG3 ARG 93 1HG ARG 93 8.462 -7.506 -5.370 692 HD2 ARG 93 2HD ARG 93 10.247 -6.419 -4.364 693 HD3 ARG 93 1HD ARG 93 10.079 -7.889 -3.466 694 HE ARG 93 HE ARG 93 11.890 -8.826 -4.837 695 HH11 ARG 93 1HH1 ARG 93 11.584 -5.336 -4.547 696 HH12 ARG 93 2HH1 ARG 93 13.238 -5.035 -4.802 697 HH21 ARG 93 1HH2 ARG 93 14.139 -8.432 -5.145 698 HH22 ARG 93 2HH2 ARG 93 14.750 -6.850 -5.067 699 H GLU 94 H GLU 94 9.136 -11.691 -2.913 700 HA GLU 94 HA GLU 94 8.513 -13.762 -4.847 701 HB2 GLU 94 2HB GLU 94 9.606 -14.213 -2.088 702 HB3 GLU 94 1HB GLU 94 9.731 -15.278 -3.485 703 HG2 GLU 94 2HG GLU 94 11.036 -13.467 -4.610 704 HG3 GLU 94 1HG GLU 94 11.016 -12.633 -3.060 705 H ALA 95 H ALA 95 7.233 -12.715 -1.847 706 HA ALA 95 HA ALA 95 5.474 -15.034 -1.771 707 HB1 ALA 95 1HB ALA 95 5.673 -12.894 0.324 708 HB2 ALA 95 2HB ALA 95 6.658 -14.355 0.290 709 HB3 ALA 95 3HB ALA 95 4.909 -14.480 0.479 710 H LEU 96 H LEU 96 5.377 -11.862 -2.543 711 HA LEU 96 HA LEU 96 2.466 -11.474 -2.413 712 HB2 LEU 96 2HB LEU 96 4.581 -9.835 -3.805 713 HB3 LEU 96 1HB LEU 96 2.898 -9.385 -3.644 714 HG LEU 96 HG LEU 96 4.858 -9.687 -1.367 715 HD11 LEU 96 1HD1 LEU 96 3.643 -7.233 -2.604 716 HD12 LEU 96 2HD1 LEU 96 5.321 -7.753 -2.749 717 HD13 LEU 96 3HD1 LEU 96 4.679 -7.272 -1.178 718 HD21 LEU 96 3HD2 LEU 96 3.078 -8.691 0.005 719 HD22 LEU 96 1HD2 LEU 96 2.589 -10.245 -0.669 720 HD23 LEU 96 2HD2 LEU 96 1.988 -8.749 -1.380 721 HA PRO 97 HA PRO 97 1.508 -13.698 -6.022 722 HB2 PRO 97 2HB PRO 97 -0.926 -12.497 -6.526 723 HB3 PRO 97 1HB PRO 97 -0.686 -13.821 -5.380 724 HG2 PRO 97 2HG PRO 97 -0.840 -10.902 -4.919 725 HG3 PRO 97 1HG PRO 97 -1.562 -12.214 -3.959 726 HD2 PRO 97 2HD PRO 97 0.649 -10.940 -3.158 727 HD3 PRO 97 1HD PRO 97 0.464 -12.688 -2.896 728 H ALA 98 H ALA 98 0.852 -13.295 -8.218 729 HA ALA 98 HA ALA 98 2.718 -11.752 -9.559 730 HB1 ALA 98 1HB ALA 98 0.091 -12.718 -10.606 731 HB2 ALA 98 2HB ALA 98 1.555 -13.701 -10.479 732 HB3 ALA 98 3HB ALA 98 1.505 -12.308 -11.577 733 H HIS 99 H HIS 99 -0.575 -10.951 -8.753 734 HA HIS 99 HA HIS 99 -0.479 -8.564 -10.356 735 HB2 HIS 99 2HB HIS 99 -2.879 -8.248 -9.497 736 HB3 HIS 99 1HB HIS 99 -2.566 -9.623 -10.538 737 HD1 HIS 99 1HD HIS 99 -3.539 -11.754 -9.722 738 HD2 HIS 99 2HD HIS 99 -2.729 -9.019 -6.796 739 HE1 HIS 99 1HE HIS 99 -4.285 -12.863 -7.592 740 H VAL 100 H VAL 100 0.587 -9.149 -7.093 741 HA VAL 100 HA VAL 100 -0.148 -6.485 -6.405 742 HB VAL 100 HB VAL 100 0.986 -8.794 -4.857 743 HG11 VAL 100 1HG1 VAL 100 0.765 -7.364 -2.886 744 HG12 VAL 100 2HG1 VAL 100 0.285 -6.025 -3.969 745 HG13 VAL 100 3HG1 VAL 100 1.897 -6.757 -4.110 746 HG21 VAL 100 3HG2 VAL 100 -1.162 -8.680 -3.640 747 HG22 VAL 100 1HG2 VAL 100 -1.367 -9.025 -5.356 748 HG23 VAL 100 2HG2 VAL 100 -1.682 -7.410 -4.735 749 H ALA 101 H ALA 101 1.219 -5.045 -6.503 750 HA ALA 101 HA ALA 101 3.990 -5.623 -7.282 751 HB1 ALA 101 1HB ALA 101 2.337 -3.149 -7.731 752 HB2 ALA 101 2HB ALA 101 2.650 -4.403 -8.927 753 HB3 ALA 101 3HB ALA 101 3.981 -3.418 -8.311 754 H ILE 102 H ILE 102 5.462 -3.704 -6.635 755 HA ILE 102 HA ILE 102 4.858 -2.903 -3.902 756 HB ILE 102 HB ILE 102 7.466 -3.915 -5.033 757 HG12 ILE 102 2HG1 ILE 102 5.843 -4.849 -2.639 758 HG13 ILE 102 1HG1 ILE 102 5.926 -5.667 -4.191 759 HG21 ILE 102 1HG2 ILE 102 8.415 -3.308 -2.743 760 HG22 ILE 102 2HG2 ILE 102 6.921 -2.302 -2.586 761 HG23 ILE 102 3HG2 ILE 102 8.025 -2.040 -3.921 762 HD11 ILE 102 3HD1 ILE 102 8.189 -5.313 -2.219 763 HD12 ILE 102 1HD1 ILE 102 8.353 -6.018 -3.817 764 HD13 ILE 102 2HD1 ILE 102 7.382 -6.829 -2.633 765 H TRP 103 H TRP 103 5.129 -0.833 -3.561 766 HA TRP 103 HA TRP 103 6.610 0.685 -5.645 767 HB2 TRP 103 2HB TRP 103 4.251 1.754 -4.113 768 HB3 TRP 103 1HB TRP 103 5.202 2.616 -5.295 769 HD1 TRP 103 HD TRP 103 4.941 -0.305 -7.193 770 HE1 TRP 103 1HE TRP 103 2.748 -0.421 -8.584 771 HE3 TRP 103 3HE TRP 103 2.312 3.174 -4.721 772 HZ2 TRP 103 2HZ TRP 103 0.231 0.863 -8.604 773 HZ3 TRP 103 3HZ TRP 103 0.000 3.753 -5.478 774 HH2 TRP 103 HH TRP 103 -0.993 2.609 -7.386 775 H LYS 104 H LYS 104 7.519 2.602 -5.035 776 HA LYS 104 HA LYS 104 8.591 2.562 -2.327 777 HB2 LYS 104 2HB LYS 104 10.290 2.525 -4.043 778 HB3 LYS 104 1HB LYS 104 9.524 3.848 -4.903 779 HG2 LYS 104 2HG LYS 104 11.450 4.722 -3.797 780 HG3 LYS 104 1HG LYS 104 10.030 5.321 -2.948 781 HD2 LYS 104 2HD LYS 104 10.373 3.484 -1.277 782 HD3 LYS 104 1HD LYS 104 11.893 3.107 -2.095 783 HE2 LYS 104 2HE LYS 104 12.555 5.512 -1.745 784 HE3 LYS 104 1HE LYS 104 11.134 5.677 -0.716 785 HZ1 LYS 104 3HZ LYS 104 12.176 3.706 0.584 786 HZ2 LYS 104 1HZ LYS 104 12.948 5.226 0.692 787 HZ3 LYS 104 2HZ LYS 104 13.560 4.110 -0.339 788 H ALA 105 H ALA 105 7.552 3.865 -1.024 789 HA ALA 105 HA ALA 105 6.056 6.164 -1.845 790 HB1 ALA 105 1HB ALA 105 5.949 6.679 0.576 791 HB2 ALA 105 2HB ALA 105 7.134 5.411 0.891 792 HB3 ALA 105 3HB ALA 105 5.535 4.992 0.271 793 H LEU 106 H LEU 106 7.105 7.760 -2.818 794 HA LEU 106 HA LEU 106 9.854 8.205 -2.183 795 HB2 LEU 106 2HB LEU 106 8.987 8.017 -4.506 796 HB3 LEU 106 1HB LEU 106 8.065 9.468 -4.256 797 HG LEU 106 HG LEU 106 11.088 9.514 -4.061 798 HD11 LEU 106 1HD1 LEU 106 11.148 10.104 -6.424 799 HD12 LEU 106 2HD1 LEU 106 9.408 9.855 -6.544 800 HD13 LEU 106 3HD1 LEU 106 10.472 8.491 -6.209 801 HD21 LEU 106 3HD2 LEU 106 9.820 11.500 -3.286 802 HD22 LEU 106 1HD2 LEU 106 9.049 11.592 -4.871 803 HD23 LEU 106 2HD2 LEU 106 10.790 11.849 -4.719 804 H SER 107 H SER 107 9.927 9.086 -0.264 805 HA SER 107 HA SER 107 8.402 11.242 0.625 806 HB2 SER 107 2HB SER 107 11.122 10.262 1.491 807 HB3 SER 107 1HB SER 107 10.099 11.382 2.401 808 HG SER 107 HG SER 107 8.493 9.769 2.383 809 H VAL 108 H VAL 108 8.438 13.194 -0.134 810 HA VAL 108 HA VAL 108 10.317 14.193 -1.917 811 HB VAL 108 HB VAL 108 9.240 16.455 -1.474 812 HG11 VAL 108 1HG1 VAL 108 8.435 14.940 -3.223 813 HG12 VAL 108 2HG1 VAL 108 7.090 15.801 -2.474 814 HG13 VAL 108 3HG1 VAL 108 7.411 14.120 -2.046 815 HG21 VAL 108 3HG2 VAL 108 7.486 14.808 0.362 816 HG22 VAL 108 1HG2 VAL 108 7.208 16.487 -0.097 817 HG23 VAL 108 2HG2 VAL 108 8.615 16.054 0.878 818 H GLY 109 H GLY 109 12.167 15.130 -1.738 819 HA2 GLY 109 2HA GLY 109 13.157 16.812 0.157 820 HA3 GLY 109 1HA GLY 109 13.590 15.181 0.690 821 H GLU 110 H GLU 110 15.215 17.411 -0.497 822 HA GLU 110 HA GLU 110 15.889 16.379 -3.076 823 HB2 GLU 110 2HB GLU 110 17.022 18.686 -1.527 824 HB3 GLU 110 1HB GLU 110 17.651 18.174 -3.088 825 HG2 GLU 110 2HG GLU 110 14.831 19.050 -2.545 826 HG3 GLU 110 1HG GLU 110 16.086 20.028 -3.315 827 H THR 111 H THR 111 16.570 14.427 -2.763 828 HA THR 111 HA THR 111 19.356 14.235 -2.062 829 HB THR 111 HB THR 111 18.168 13.438 -0.039 830 HG1 THR 111 1HG THR 111 18.877 11.094 -0.286 831 HG21 THR 111 3HG2 THR 111 16.698 11.464 -0.119 832 HG22 THR 111 1HG2 THR 111 16.828 11.441 -1.879 833 HG23 THR 111 2HG2 THR 111 16.032 12.791 -1.075 834 H LEU 112 H LEU 112 20.338 12.487 -3.250 835 HA LEU 112 HA LEU 112 18.634 11.516 -5.414 836 HB2 LEU 112 2HB LEU 112 20.275 13.317 -6.104 837 HB3 LEU 112 1HB LEU 112 21.569 12.242 -5.656 838 HG LEU 112 HG LEU 112 21.128 12.422 -8.125 839 HD11 LEU 112 1HD1 LEU 112 21.310 10.056 -8.659 840 HD12 LEU 112 2HD1 LEU 112 20.841 9.646 -7.007 841 HD13 LEU 112 3HD1 LEU 112 22.354 10.501 -7.308 842 HD21 LEU 112 3HD2 LEU 112 18.613 10.914 -7.451 843 HD22 LEU 112 1HD2 LEU 112 19.231 11.218 -9.072 844 HD23 LEU 112 2HD2 LEU 112 18.708 12.565 -8.057 845 HA PRO 113 HA PRO 113 20.413 7.815 -3.558 846 HB2 PRO 113 2HB PRO 113 17.951 6.463 -4.013 847 HB3 PRO 113 1HB PRO 113 18.607 6.986 -2.466 848 HG2 PRO 113 2HG PRO 113 16.317 8.039 -3.657 849 HG3 PRO 113 1HG PRO 113 17.263 8.830 -2.386 850 HD2 PRO 113 2HD PRO 113 17.283 9.302 -5.337 851 HD3 PRO 113 1HD PRO 113 17.491 10.454 -3.999 852 H ALA 114 H ALA 114 21.611 6.747 -4.968 853 HA ALA 114 HA ALA 114 20.932 6.410 -7.720 854 HB1 ALA 114 1HB ALA 114 22.928 4.975 -7.804 855 HB2 ALA 114 2HB ALA 114 23.006 4.989 -6.041 856 HB3 ALA 114 3HB ALA 114 23.267 6.480 -6.944 857 H ARG 115 H ARG 115 20.697 4.591 -4.797 858 HA ARG 115 HA ARG 115 18.561 2.996 -5.640 859 HB2 ARG 115 2HB ARG 115 20.546 1.768 -6.732 860 HB3 ARG 115 1HB ARG 115 21.166 1.571 -5.095 861 HG2 ARG 115 2HG ARG 115 19.103 0.315 -4.517 862 HG3 ARG 115 1HG ARG 115 18.636 0.390 -6.214 863 HD2 ARG 115 2HD ARG 115 21.166 -0.832 -5.146 864 HD3 ARG 115 1HD ARG 115 19.725 -1.738 -5.582 865 HE ARG 115 HE ARG 115 20.289 -0.387 -7.831 866 HH11 ARG 115 1HH1 ARG 115 22.336 -2.374 -5.710 867 HH12 ARG 115 2HH1 ARG 115 23.265 -2.991 -6.987 868 HH21 ARG 115 1HH2 ARG 115 21.589 -1.255 -9.566 869 HH22 ARG 115 2HH2 ARG 115 22.846 -2.344 -9.211 870 H GLU 116 H GLU 116 18.065 1.602 -3.799 871 HA GLU 116 HA GLU 116 19.439 2.058 -1.254 872 HB2 GLU 116 2HB GLU 116 16.417 2.193 -1.529 873 HB3 GLU 116 1HB GLU 116 17.357 2.442 -0.079 874 HG2 GLU 116 2HG GLU 116 18.141 4.564 -0.919 875 HG3 GLU 116 1HG GLU 116 17.283 4.293 -2.444 876 H PHE 117 H PHE 117 16.582 0.868 -2.859 877 HA PHE 117 HA PHE 117 17.282 -1.893 -2.412 878 HB2 PHE 117 2HB PHE 117 14.465 -0.740 -2.363 879 HB3 PHE 117 1HB PHE 117 14.967 -2.375 -1.934 880 HD1 PHE 117 2HD PHE 117 16.467 -2.644 0.108 881 HD2 PHE 117 1HD PHE 117 14.254 0.885 -0.744 882 HE1 PHE 117 2HE PHE 117 16.752 -1.877 2.436 883 HE2 PHE 117 1HE PHE 117 14.525 1.630 1.573 884 HZ PHE 117 HZ PHE 117 15.783 0.238 3.165 885 H GLN 118 H GLN 118 16.014 -3.012 -4.142 886 HA GLN 118 HA GLN 118 15.613 -1.301 -6.479 887 HB2 GLN 118 2HB GLN 118 16.935 -2.873 -7.877 888 HB3 GLN 118 1HB GLN 118 17.906 -2.049 -6.670 889 HG2 GLN 118 2HG GLN 118 17.800 -4.053 -5.249 890 HG3 GLN 118 1HG GLN 118 16.853 -4.851 -6.500 891 HE21 GLN 118 1HE2 GLN 118 18.425 -3.727 -8.703 892 HE22 GLN 118 2HE2 GLN 118 19.927 -4.579 -8.657 893 H HIS 119 H HIS 119 14.732 -2.683 -8.317 894 HA HIS 119 HA HIS 119 13.207 -3.935 -9.236 895 HB2 HIS 119 2HB HIS 119 13.414 -5.772 -6.835 896 HB3 HIS 119 1HB HIS 119 12.611 -6.164 -8.346 897 HD1 HIS 119 1HD HIS 119 14.526 -5.896 -10.523 898 HD2 HIS 119 2HD HIS 119 15.843 -6.786 -6.691 899 HE1 HIS 119 1HE HIS 119 16.808 -6.892 -10.780 900 H VAL 120 H VAL 120 12.380 -1.734 -7.714 901 HA VAL 120 HA VAL 120 9.749 -2.544 -6.660 902 HB VAL 120 HB VAL 120 9.287 -0.222 -6.226 903 HG11 VAL 120 1HG1 VAL 120 11.061 0.371 -4.628 904 HG12 VAL 120 2HG1 VAL 120 12.080 -0.891 -5.321 905 HG13 VAL 120 3HG1 VAL 120 10.569 -1.319 -4.516 906 HG21 VAL 120 3HG2 VAL 120 11.911 0.457 -7.579 907 HG22 VAL 120 1HG2 VAL 120 10.879 1.595 -6.706 908 HG23 VAL 120 2HG2 VAL 120 10.286 0.820 -8.173 909 H ASP 121 H ASP 121 7.836 -1.839 -7.553 910 HA ASP 121 HA ASP 121 8.037 -2.256 -10.418 911 HB2 ASP 121 2HB ASP 121 5.643 -2.083 -8.600 912 HB3 ASP 121 1HB ASP 121 5.527 -2.350 -10.337 913 H LYS 122 H LYS 122 6.824 0.186 -8.286 914 HA LYS 122 HA LYS 122 7.026 2.256 -10.306 915 HB2 LYS 122 2HB LYS 122 4.315 1.538 -9.093 916 HB3 LYS 122 1HB LYS 122 4.643 3.077 -9.832 917 HG2 LYS 122 2HG LYS 122 5.005 1.987 -11.993 918 HG3 LYS 122 1HG LYS 122 4.742 0.411 -11.246 919 HD2 LYS 122 2HD LYS 122 2.466 1.040 -10.664 920 HD3 LYS 122 1HD LYS 122 2.732 2.656 -11.310 921 HE2 LYS 122 2HE LYS 122 2.931 0.136 -12.943 922 HE3 LYS 122 1HE LYS 122 1.460 1.107 -12.828 923 HZ1 LYS 122 3HZ LYS 122 2.708 2.965 -13.791 924 HZ2 LYS 122 1HZ LYS 122 2.697 1.640 -14.809 925 HZ3 LYS 122 2HZ LYS 122 4.082 2.003 -13.946 926 H TYR 123 H TYR 123 6.612 4.416 -9.279 927 HA TYR 123 HA TYR 123 7.051 4.201 -6.397 928 HB2 TYR 123 2HB TYR 123 8.272 6.280 -6.409 929 HB3 TYR 123 1HB TYR 123 8.982 5.221 -7.614 930 HD1 TYR 123 1HD TYR 123 8.585 5.664 -10.002 931 HD2 TYR 123 2HD TYR 123 7.267 8.319 -6.972 932 HE1 TYR 123 1HE TYR 123 8.302 7.394 -11.664 933 HE2 TYR 123 2HE TYR 123 6.970 10.067 -8.592 934 HH TYR 123 HH TYR 123 7.012 9.465 -11.950 935 H VAL 124 H VAL 124 6.178 6.023 -5.143 936 HA VAL 124 HA VAL 124 3.850 7.268 -6.321 937 HB VAL 124 HB VAL 124 3.147 5.100 -5.327 938 HG11 VAL 124 1HG1 VAL 124 4.143 6.212 -2.742 939 HG12 VAL 124 2HG1 VAL 124 4.721 4.780 -3.617 940 HG13 VAL 124 3HG1 VAL 124 3.110 4.791 -2.906 941 HG21 VAL 124 3HG2 VAL 124 2.028 7.441 -3.779 942 HG22 VAL 124 1HG2 VAL 124 1.257 5.872 -3.984 943 HG23 VAL 124 2HG2 VAL 124 1.499 6.918 -5.381 944 H LEU 125 H LEU 125 2.994 8.742 -4.411 945 HA LEU 125 HA LEU 125 5.238 10.442 -3.834 946 HB2 LEU 125 2HB LEU 125 2.993 11.263 -4.625 947 HB3 LEU 125 1HB LEU 125 2.321 10.795 -3.085 948 HG LEU 125 HG LEU 125 3.691 12.502 -1.959 949 HD11 LEU 125 1HD1 LEU 125 4.933 14.147 -3.284 950 HD12 LEU 125 2HD1 LEU 125 4.620 13.207 -4.746 951 HD13 LEU 125 3HD1 LEU 125 5.613 12.529 -3.453 952 HD21 LEU 125 3HD2 LEU 125 2.166 13.592 -4.309 953 HD22 LEU 125 1HD2 LEU 125 2.550 14.459 -2.826 954 HD23 LEU 125 2HD2 LEU 125 1.453 13.074 -2.779 955 H ASP 126 H ASP 126 4.965 11.543 -1.468 956 HA ASP 126 HA ASP 126 5.797 9.577 0.367 957 HB2 ASP 126 2HB ASP 126 6.639 11.897 0.437 958 HB3 ASP 126 1HB ASP 126 5.037 12.443 0.869 959 H ASN 127 H ASN 127 4.287 8.141 0.832 960 HA ASN 127 HA ASN 127 1.909 9.093 2.274 961 HB2 ASN 127 2HB ASN 127 2.416 6.443 0.876 962 HB3 ASN 127 1HB ASN 127 1.035 6.741 1.923 963 HD21 ASN 127 1HD2 ASN 127 -0.626 8.107 1.191 964 HD22 ASN 127 2HD2 ASN 127 -0.749 8.523 -0.484 965 H GLY 128 H GLY 128 1.405 7.914 4.267 966 HA2 GLY 128 2HA GLY 128 3.502 6.272 5.346 967 HA3 GLY 128 1HA GLY 128 3.307 7.850 6.111 968 H GLN 129 H GLN 129 2.896 6.037 7.818 969 HA GLN 129 HA GLN 129 0.121 5.101 7.744 970 HB2 GLN 129 2HB GLN 129 2.341 4.485 9.687 971 HB3 GLN 129 1HB GLN 129 0.758 3.724 9.663 972 HG2 GLN 129 2HG GLN 129 1.270 2.802 7.429 973 HG3 GLN 129 1HG GLN 129 2.877 3.517 7.527 974 HE21 GLN 129 1HE2 GLN 129 3.052 2.955 10.402 975 HE22 GLN 129 2HE2 GLN 129 3.327 1.263 10.554 976 H GLY 130 H GLY 130 1.056 7.932 8.281 977 HA2 GLY 130 2HA GLY 130 0.651 8.404 11.082 978 HA3 GLY 130 1HA GLY 130 0.844 9.624 9.830 979 H GLY 131 H GLY 131 -1.466 7.338 11.171 980 HA2 GLY 131 2HA GLY 131 -3.533 9.380 10.950 981 HA3 GLY 131 1HA GLY 131 -3.812 7.892 10.054 982 H ALA 132 H ALA 132 -2.205 8.114 13.168 983 HA ALA 132 HA ALA 132 -4.534 7.162 14.569 984 HB1 ALA 132 1HB ALA 132 -3.597 5.087 13.640 985 HB2 ALA 132 2HB ALA 132 -3.458 5.132 15.395 986 HB3 ALA 132 3HB ALA 132 -2.043 5.463 14.389 987 H GLY 133 H GLY 133 -3.756 6.653 16.932 988 HA2 GLY 133 2HA GLY 133 -2.552 7.276 18.818 989 HA3 GLY 133 1HA GLY 133 -1.486 8.241 17.796 990 H SER 134 H SER 134 -2.419 10.194 16.902 991 HA SER 134 HA SER 134 -4.382 11.396 18.692 992 HB2 SER 134 2HB SER 134 -1.969 12.689 17.391 993 HB3 SER 134 1HB SER 134 -3.213 13.554 18.290 994 HG SER 134 HG SER 134 -1.303 11.690 19.248 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -5.163 9.304 -15.120 2 H2 MET 1 2HT MET 1 -6.797 9.515 -14.739 3 H3 MET 1 3HT MET 1 -5.681 9.488 -13.510 4 HA MET 1 HA MET 1 -4.672 11.520 -14.321 5 HB2 MET 1 2HB MET 1 -5.405 11.347 -16.667 6 HB3 MET 1 1HB MET 1 -7.080 11.533 -16.167 7 HG2 MET 1 2HG MET 1 -6.501 13.777 -15.271 8 HG3 MET 1 1HG MET 1 -4.889 13.589 -15.946 9 HE1 MET 1 2HE MET 1 -4.407 13.388 -18.574 10 HE2 MET 1 3HE MET 1 -5.664 13.462 -19.807 11 HE3 MET 1 1HE MET 1 -5.565 12.071 -18.729 12 H GLY 2 H GLY 2 -8.214 10.927 -14.199 13 HA2 GLY 2 2HA GLY 2 -8.334 12.928 -12.076 14 HA3 GLY 2 1HA GLY 2 -9.685 12.404 -13.080 15 H GLU 3 H GLU 3 -7.398 11.312 -10.649 16 HA GLU 3 HA GLU 3 -9.081 9.082 -9.975 17 HB2 GLU 3 2HB GLU 3 -6.642 10.184 -8.549 18 HB3 GLU 3 1HB GLU 3 -7.533 8.776 -8.017 19 HG2 GLU 3 2HG GLU 3 -5.609 7.995 -9.132 20 HG3 GLU 3 1HG GLU 3 -6.968 7.708 -10.208 21 H ASN 4 H ASN 4 -9.402 8.895 -7.429 22 HA ASN 4 HA ASN 4 -10.347 11.341 -6.248 23 HB2 ASN 4 2HB ASN 4 -12.291 10.224 -7.692 24 HB3 ASN 4 1HB ASN 4 -12.227 8.975 -6.461 25 HD21 ASN 4 1HD2 ASN 4 -12.996 9.395 -4.389 26 HD22 ASN 4 2HD2 ASN 4 -13.880 10.826 -4.014 27 H LYS 5 H LYS 5 -8.252 10.047 -5.804 28 HA LYS 5 HA LYS 5 -7.835 7.717 -4.531 29 HB2 LYS 5 2HB LYS 5 -6.583 10.321 -3.653 30 HB3 LYS 5 1HB LYS 5 -5.934 8.715 -3.365 31 HG2 LYS 5 2HG LYS 5 -5.716 8.378 -5.787 32 HG3 LYS 5 1HG LYS 5 -6.320 10.012 -6.058 33 HD2 LYS 5 2HD LYS 5 -4.411 10.912 -4.805 34 HD3 LYS 5 1HD LYS 5 -3.814 9.269 -4.552 35 HE2 LYS 5 2HE LYS 5 -3.717 8.994 -7.031 36 HE3 LYS 5 1HE LYS 5 -4.137 10.695 -7.191 37 HZ1 LYS 5 3HZ LYS 5 -1.767 10.353 -7.349 38 HZ2 LYS 5 1HZ LYS 5 -1.727 9.615 -5.846 39 HZ3 LYS 5 2HZ LYS 5 -2.102 11.240 -5.962 40 H VAL 6 H VAL 6 -9.301 6.889 -3.246 41 HA VAL 6 HA VAL 6 -10.297 8.431 -1.055 42 HB VAL 6 HB VAL 6 -11.884 7.275 -2.491 43 HG11 VAL 6 1HG1 VAL 6 -10.646 5.354 -3.199 44 HG12 VAL 6 2HG1 VAL 6 -12.162 4.840 -2.461 45 HG13 VAL 6 3HG1 VAL 6 -10.650 4.700 -1.560 46 HG21 VAL 6 3HG2 VAL 6 -13.249 6.166 -0.760 47 HG22 VAL 6 1HG2 VAL 6 -12.559 7.694 -0.207 48 HG23 VAL 6 2HG2 VAL 6 -11.844 6.169 0.310 49 H CYS 7 H CYS 7 -9.494 8.358 0.795 50 HA CYS 7 HA CYS 7 -7.905 6.142 1.776 51 HB2 CYS 7 2HB CYS 7 -8.604 8.857 2.979 52 HB3 CYS 7 1HB CYS 7 -7.521 7.678 3.719 53 HG CYS 7 HG CYS 7 -6.133 7.808 1.038 54 H GLY 8 H GLY 8 -8.657 5.648 4.391 55 HA2 GLY 8 2HA GLY 8 -10.715 3.921 4.049 56 HA3 GLY 8 1HA GLY 8 -10.207 4.592 5.583 57 H LEU 9 H LEU 9 -12.805 3.872 4.259 58 HA LEU 9 HA LEU 9 -14.252 6.291 4.933 59 HB2 LEU 9 2HB LEU 9 -13.786 5.407 2.307 60 HB3 LEU 9 1HB LEU 9 -15.378 4.807 2.697 61 HG LEU 9 HG LEU 9 -15.567 6.905 1.535 62 HD11 LEU 9 1HD1 LEU 9 -16.210 7.289 4.436 63 HD12 LEU 9 2HD1 LEU 9 -17.205 6.461 3.246 64 HD13 LEU 9 3HD1 LEU 9 -16.900 8.196 3.087 65 HD21 LEU 9 3HD2 LEU 9 -13.396 7.847 2.041 66 HD22 LEU 9 1HD2 LEU 9 -13.867 8.085 3.724 67 HD23 LEU 9 2HD2 LEU 9 -14.682 8.985 2.448 68 H THR 10 H THR 10 -16.520 5.663 5.313 69 HA THR 10 HA THR 10 -16.798 2.846 6.060 70 HB THR 10 HB THR 10 -16.242 4.106 8.087 71 HG1 THR 10 1HG THR 10 -18.845 3.137 7.802 72 HG21 THR 10 3HG2 THR 10 -18.593 5.873 7.404 73 HG22 THR 10 1HG2 THR 10 -16.890 6.330 7.384 74 HG23 THR 10 2HG2 THR 10 -17.675 5.932 8.913 75 H ARG 11 H ARG 11 -17.584 4.678 3.872 76 HA ARG 11 HA ARG 11 -20.425 4.107 3.876 77 HB2 ARG 11 2HB ARG 11 -19.194 6.764 3.127 78 HB3 ARG 11 1HB ARG 11 -20.841 6.304 2.767 79 HG2 ARG 11 2HG ARG 11 -21.375 6.218 5.126 80 HG3 ARG 11 1HG ARG 11 -19.689 6.539 5.540 81 HD2 ARG 11 2HD ARG 11 -21.091 8.557 5.681 82 HD3 ARG 11 1HD ARG 11 -19.804 8.704 4.484 83 HE ARG 11 HE ARG 11 -22.397 7.819 3.544 84 HH11 ARG 11 1HH1 ARG 11 -20.097 10.528 3.824 85 HH12 ARG 11 2HH1 ARG 11 -20.895 11.487 2.672 86 HH21 ARG 11 1HH2 ARG 11 -23.465 9.163 1.937 87 HH22 ARG 11 2HH2 ARG 11 -22.818 10.688 1.575 88 H GLY 12 H GLY 12 -20.366 2.615 2.371 89 HA2 GLY 12 2HA GLY 12 -18.968 2.040 0.117 90 HA3 GLY 12 1HA GLY 12 -20.733 1.926 0.385 91 H GLN 13 H GLN 13 -21.743 4.004 0.346 92 HA GLN 13 HA GLN 13 -21.997 4.814 -2.299 93 HB2 GLN 13 2HB GLN 13 -23.123 5.936 0.246 94 HB3 GLN 13 1HB GLN 13 -23.545 6.569 -1.332 95 HG2 GLN 13 2HG GLN 13 -25.264 5.056 -0.569 96 HG3 GLN 13 1HG GLN 13 -24.462 4.393 -1.977 97 HE21 GLN 13 1HE2 GLN 13 -23.070 4.180 1.327 98 HE22 GLN 13 2HE2 GLN 13 -23.347 2.507 1.478 99 H ASP 14 H ASP 14 -19.910 5.990 0.123 100 HA ASP 14 HA ASP 14 -19.470 8.494 -1.321 101 HB2 ASP 14 2HB ASP 14 -19.544 8.515 1.169 102 HB3 ASP 14 1HB ASP 14 -18.153 7.453 1.215 103 H ALA 15 H ALA 15 -17.919 5.514 -0.383 104 HA ALA 15 HA ALA 15 -15.373 5.920 -1.485 105 HB1 ALA 15 1HB ALA 15 -15.853 4.262 0.228 106 HB2 ALA 15 2HB ALA 15 -15.136 3.473 -1.186 107 HB3 ALA 15 3HB ALA 15 -16.877 3.376 -0.890 108 H LYS 16 H LYS 16 -18.367 4.841 -2.879 109 HA LYS 16 HA LYS 16 -17.324 3.619 -5.169 110 HB2 LYS 16 2HB LYS 16 -19.518 3.764 -6.182 111 HB3 LYS 16 1HB LYS 16 -19.637 3.245 -4.514 112 HG2 LYS 16 2HG LYS 16 -20.319 5.515 -3.878 113 HG3 LYS 16 1HG LYS 16 -20.208 5.999 -5.574 114 HD2 LYS 16 2HD LYS 16 -21.917 4.317 -6.141 115 HD3 LYS 16 1HD LYS 16 -22.062 3.905 -4.432 116 HE2 LYS 16 2HE LYS 16 -23.847 5.422 -5.060 117 HE3 LYS 16 1HE LYS 16 -22.737 6.232 -3.960 118 HZ1 LYS 16 3HZ LYS 16 -23.360 7.659 -5.821 119 HZ2 LYS 16 1HZ LYS 16 -22.760 6.538 -6.909 120 HZ3 LYS 16 2HZ LYS 16 -21.721 7.354 -5.870 121 H ALA 17 H ALA 17 -17.543 6.964 -4.436 122 HA ALA 17 HA ALA 17 -17.737 8.011 -7.027 123 HB1 ALA 17 1HB ALA 17 -16.233 9.233 -4.704 124 HB2 ALA 17 2HB ALA 17 -17.960 9.392 -4.989 125 HB3 ALA 17 3HB ALA 17 -16.814 10.077 -6.137 126 H ALA 18 H ALA 18 -14.931 6.724 -5.327 127 HA ALA 18 HA ALA 18 -13.064 7.558 -7.339 128 HB1 ALA 18 1HB ALA 18 -11.497 6.101 -6.118 129 HB2 ALA 18 2HB ALA 18 -12.865 5.526 -5.137 130 HB3 ALA 18 3HB ALA 18 -12.365 7.206 -5.048 131 H TYR 19 H TYR 19 -15.066 4.774 -6.821 132 HA TYR 19 HA TYR 19 -13.761 3.284 -8.861 133 HB2 TYR 19 2HB TYR 19 -14.675 1.772 -7.448 134 HB3 TYR 19 1HB TYR 19 -15.945 2.845 -6.930 135 HD1 TYR 19 1HD TYR 19 -14.847 0.507 -9.590 136 HD2 TYR 19 2HD TYR 19 -18.083 2.609 -7.863 137 HE1 TYR 19 1HE TYR 19 -16.407 -0.809 -10.971 138 HE2 TYR 19 2HE TYR 19 -19.688 1.295 -9.242 139 HH TYR 19 HH TYR 19 -19.691 0.056 -11.296 140 H ASP 20 H ASP 20 -16.510 5.350 -8.545 141 HA ASP 20 HA ASP 20 -17.628 4.994 -11.115 142 HB2 ASP 20 2HB ASP 20 -18.857 6.179 -9.355 143 HB3 ASP 20 1HB ASP 20 -17.660 7.466 -9.361 144 H ALA 21 H ALA 21 -14.967 6.865 -9.953 145 HA ALA 21 HA ALA 21 -14.500 8.487 -12.204 146 HB1 ALA 21 1HB ALA 21 -13.477 8.900 -10.008 147 HB2 ALA 21 2HB ALA 21 -12.262 8.820 -11.288 148 HB3 ALA 21 3HB ALA 21 -12.495 7.447 -10.204 149 H GLY 22 H GLY 22 -14.039 5.126 -11.755 150 HA2 GLY 22 2HA GLY 22 -13.800 4.225 -14.172 151 HA3 GLY 22 1HA GLY 22 -12.243 5.033 -14.076 152 H ALA 23 H ALA 23 -13.335 3.590 -11.158 153 HA ALA 23 HA ALA 23 -12.510 1.907 -9.870 154 HB1 ALA 23 1HB ALA 23 -12.402 -0.315 -10.897 155 HB2 ALA 23 2HB ALA 23 -12.359 0.416 -12.500 156 HB3 ALA 23 3HB ALA 23 -13.808 0.569 -11.503 157 H ILE 24 H ILE 24 -10.699 3.806 -11.015 158 HA ILE 24 HA ILE 24 -8.342 2.776 -12.064 159 HB ILE 24 HB ILE 24 -8.597 5.265 -10.351 160 HG12 ILE 24 2HG1 ILE 24 -8.883 4.967 -13.357 161 HG13 ILE 24 1HG1 ILE 24 -10.219 5.217 -12.244 162 HG21 ILE 24 1HG2 ILE 24 -6.634 6.045 -11.629 163 HG22 ILE 24 2HG2 ILE 24 -6.571 4.487 -12.456 164 HG23 ILE 24 3HG2 ILE 24 -6.279 4.573 -10.721 165 HD11 ILE 24 3HD1 ILE 24 -7.956 7.138 -12.759 166 HD12 ILE 24 1HD1 ILE 24 -9.300 7.406 -11.648 167 HD13 ILE 24 2HD1 ILE 24 -9.599 7.273 -13.384 168 H TYR 25 H TYR 25 -8.741 3.964 -8.788 169 HA TYR 25 HA TYR 25 -7.746 1.818 -7.345 170 HB2 TYR 25 2HB TYR 25 -5.469 1.910 -7.380 171 HB3 TYR 25 1HB TYR 25 -5.655 2.833 -8.858 172 HD1 TYR 25 1HD TYR 25 -5.405 5.296 -8.777 173 HD2 TYR 25 2HD TYR 25 -4.778 2.800 -5.436 174 HE1 TYR 25 1HE TYR 25 -4.234 7.108 -7.661 175 HE2 TYR 25 2HE TYR 25 -3.665 4.493 -4.290 176 HH TYR 25 HH TYR 25 -2.373 6.601 -4.846 177 H GLY 26 H GLY 26 -7.381 2.291 -5.164 178 HA2 GLY 26 2HA GLY 26 -8.387 4.940 -4.406 179 HA3 GLY 26 1HA GLY 26 -8.898 3.463 -3.569 180 H GLY 27 H GLY 27 -7.364 5.807 -2.533 181 HA2 GLY 27 2HA GLY 27 -4.756 4.530 -2.082 182 HA3 GLY 27 1HA GLY 27 -5.034 6.273 -2.018 183 H LEU 28 H LEU 28 -5.659 3.221 -0.437 184 HA LEU 28 HA LEU 28 -6.226 4.705 1.962 185 HB2 LEU 28 2HB LEU 28 -7.691 2.899 2.737 186 HB3 LEU 28 1HB LEU 28 -8.276 3.600 1.260 187 HG LEU 28 HG LEU 28 -8.757 1.283 1.203 188 HD11 LEU 28 1HD1 LEU 28 -8.104 2.104 -0.938 189 HD12 LEU 28 2HD1 LEU 28 -7.642 0.415 -0.748 190 HD13 LEU 28 3HD1 LEU 28 -6.422 1.671 -0.623 191 HD21 LEU 28 3HD2 LEU 28 -5.860 0.660 1.726 192 HD22 LEU 28 1HD2 LEU 28 -7.133 -0.522 1.441 193 HD23 LEU 28 2HD2 LEU 28 -7.165 0.488 2.901 194 H ILE 29 H ILE 29 -5.377 3.974 3.786 195 HA ILE 29 HA ILE 29 -3.291 1.975 3.441 196 HB ILE 29 HB ILE 29 -2.196 3.142 5.455 197 HG12 ILE 29 2HG1 ILE 29 -3.692 5.450 4.166 198 HG13 ILE 29 1HG1 ILE 29 -3.993 4.821 5.780 199 HG21 ILE 29 1HG2 ILE 29 -1.335 2.654 3.421 200 HG22 ILE 29 2HG2 ILE 29 -0.805 4.309 3.853 201 HG23 ILE 29 3HG2 ILE 29 -2.064 4.041 2.609 202 HD11 ILE 29 3HD1 ILE 29 -1.468 6.142 4.821 203 HD12 ILE 29 1HD1 ILE 29 -1.740 5.509 6.443 204 HD13 ILE 29 2HD1 ILE 29 -2.700 6.866 5.854 205 H PHE 30 H PHE 30 -2.576 0.856 5.200 206 HA PHE 30 HA PHE 30 -4.930 -0.172 6.613 207 HB2 PHE 30 2HB PHE 30 -2.119 -1.288 6.894 208 HB3 PHE 30 1HB PHE 30 -3.617 -2.074 7.328 209 HD1 PHE 30 2HD PHE 30 -5.095 -3.023 5.459 210 HD2 PHE 30 1HD PHE 30 -1.203 -1.410 4.782 211 HE1 PHE 30 2HE PHE 30 -4.964 -4.168 3.204 212 HE2 PHE 30 1HE PHE 30 -1.094 -2.551 2.624 213 HZ PHE 30 HZ PHE 30 -2.945 -3.887 1.834 214 H VAL 31 H VAL 31 -5.107 1.834 7.958 215 HA VAL 31 HA VAL 31 -3.205 1.626 10.162 216 HB VAL 31 HB VAL 31 -5.008 3.985 9.477 217 HG11 VAL 31 1HG1 VAL 31 -4.670 3.721 11.892 218 HG12 VAL 31 2HG1 VAL 31 -3.857 5.162 11.277 219 HG13 VAL 31 3HG1 VAL 31 -2.926 3.708 11.643 220 HG21 VAL 31 3HG2 VAL 31 -2.011 3.684 9.309 221 HG22 VAL 31 1HG2 VAL 31 -2.917 5.162 8.984 222 HG23 VAL 31 2HG2 VAL 31 -3.120 3.753 7.941 223 H ALA 32 H ALA 32 -3.838 0.835 11.945 224 HA ALA 32 HA ALA 32 -5.991 -0.797 12.138 225 HB1 ALA 32 1HB ALA 32 -4.502 0.411 14.452 226 HB2 ALA 32 2HB ALA 32 -3.972 -0.981 13.506 227 HB3 ALA 32 3HB ALA 32 -5.444 -1.079 14.470 228 H THR 33 H THR 33 -7.896 -0.034 11.711 229 HA THR 33 HA THR 33 -9.937 0.683 12.030 230 HB THR 33 HB THR 33 -10.820 0.812 14.372 231 HG1 THR 33 1HG THR 33 -8.169 1.078 14.881 232 HG21 THR 33 3HG2 THR 33 -9.012 -1.499 13.710 233 HG22 THR 33 1HG2 THR 33 -10.662 -1.286 13.127 234 HG23 THR 33 2HG2 THR 33 -10.368 -1.550 14.845 235 H SER 34 H SER 34 -7.926 2.786 11.550 236 HA SER 34 HA SER 34 -9.230 5.067 12.813 237 HB2 SER 34 2HB SER 34 -6.900 4.948 10.878 238 HB3 SER 34 1HB SER 34 -7.448 6.368 11.783 239 HG SER 34 HG SER 34 -7.106 4.406 13.490 240 HA PRO 35 HA PRO 35 -12.287 4.832 9.691 241 HB2 PRO 35 2HB PRO 35 -13.368 7.334 10.103 242 HB3 PRO 35 1HB PRO 35 -13.762 5.883 11.032 243 HG2 PRO 35 2HG PRO 35 -11.831 8.074 11.673 244 HG3 PRO 35 1HG PRO 35 -12.987 7.258 12.736 245 HD2 PRO 35 2HD PRO 35 -10.410 6.645 12.797 246 HD3 PRO 35 1HD PRO 35 -11.638 5.369 12.945 247 H ARG 36 H ARG 36 -9.706 7.055 9.455 248 HA ARG 36 HA ARG 36 -10.647 7.765 6.764 249 HB2 ARG 36 2HB ARG 36 -10.081 9.675 8.292 250 HB3 ARG 36 1HB ARG 36 -8.421 9.104 8.332 251 HG2 ARG 36 2HG ARG 36 -8.138 9.566 5.997 252 HG3 ARG 36 1HG ARG 36 -9.847 9.964 5.822 253 HD2 ARG 36 2HD ARG 36 -9.582 11.838 7.309 254 HD3 ARG 36 1HD ARG 36 -7.883 11.450 7.562 255 HE ARG 36 HE ARG 36 -8.409 11.775 4.820 256 HH11 ARG 36 1HH1 ARG 36 -8.228 13.729 7.763 257 HH12 ARG 36 2HH1 ARG 36 -7.705 15.137 6.983 258 HH21 ARG 36 1HH2 ARG 36 -7.702 13.682 3.734 259 HH22 ARG 36 2HH2 ARG 36 -7.389 15.112 4.597 260 H CYS 37 H CYS 37 -9.087 5.306 8.005 261 HA CYS 37 HA CYS 37 -7.477 4.897 5.674 262 HB2 CYS 37 2HB CYS 37 -6.761 4.307 8.549 263 HB3 CYS 37 1HB CYS 37 -5.790 3.858 7.142 264 HG CYS 37 HG CYS 37 -6.239 6.999 6.832 265 H VAL 38 H VAL 38 -7.190 2.269 5.725 266 HA VAL 38 HA VAL 38 -9.358 1.086 7.188 267 HB VAL 38 HB VAL 38 -9.555 1.770 4.333 268 HG11 VAL 38 1HG1 VAL 38 -10.609 -0.301 3.582 269 HG12 VAL 38 2HG1 VAL 38 -10.162 -1.079 5.100 270 HG13 VAL 38 3HG1 VAL 38 -8.910 -0.547 3.980 271 HG21 VAL 38 3HG2 VAL 38 -11.563 0.660 6.287 272 HG22 VAL 38 1HG2 VAL 38 -11.931 1.342 4.705 273 HG23 VAL 38 2HG2 VAL 38 -11.252 2.366 5.976 274 H ASN 39 H ASN 39 -8.960 -0.865 7.709 275 HA ASN 39 HA ASN 39 -6.535 -2.137 6.675 276 HB2 ASN 39 2HB ASN 39 -6.835 -3.621 8.713 277 HB3 ASN 39 1HB ASN 39 -6.165 -2.036 8.986 278 HD21 ASN 39 1HD2 ASN 39 -8.641 -4.193 9.594 279 HD22 ASN 39 2HD2 ASN 39 -9.572 -3.198 10.657 280 H VAL 40 H VAL 40 -6.529 -4.425 6.756 281 HA VAL 40 HA VAL 40 -7.890 -5.282 4.606 282 HB VAL 40 HB VAL 40 -6.015 -6.550 5.198 283 HG11 VAL 40 1HG1 VAL 40 -7.248 -7.224 7.860 284 HG12 VAL 40 2HG1 VAL 40 -6.039 -5.977 7.576 285 HG13 VAL 40 3HG1 VAL 40 -5.627 -7.654 7.287 286 HG21 VAL 40 3HG2 VAL 40 -8.347 -8.333 5.910 287 HG22 VAL 40 1HG2 VAL 40 -6.742 -8.882 5.436 288 HG23 VAL 40 2HG2 VAL 40 -7.759 -8.018 4.281 289 H GLU 41 H GLU 41 -9.134 -5.409 7.896 290 HA GLU 41 HA GLU 41 -11.178 -7.256 7.233 291 HB2 GLU 41 2HB GLU 41 -10.714 -5.401 9.483 292 HB3 GLU 41 1HB GLU 41 -11.948 -6.674 9.492 293 HG2 GLU 41 2HG GLU 41 -10.366 -7.940 10.443 294 HG3 GLU 41 1HG GLU 41 -9.582 -7.956 8.874 295 H GLN 42 H GLN 42 -11.017 -3.702 7.373 296 HA GLN 42 HA GLN 42 -13.850 -3.497 6.839 297 HB2 GLN 42 2HB GLN 42 -11.598 -1.511 6.848 298 HB3 GLN 42 1HB GLN 42 -13.241 -1.092 6.406 299 HG2 GLN 42 2HG GLN 42 -13.977 -1.152 8.526 300 HG3 GLN 42 1HG GLN 42 -12.881 -2.468 8.991 301 HE21 GLN 42 1HE2 GLN 42 -10.965 -1.984 9.695 302 HE22 GLN 42 2HE2 GLN 42 -10.434 -0.389 10.038 303 H ALA 43 H ALA 43 -10.831 -3.404 5.115 304 HA ALA 43 HA ALA 43 -11.585 -2.246 2.722 305 HB1 ALA 43 1HB ALA 43 -9.257 -2.702 3.357 306 HB2 ALA 43 2HB ALA 43 -9.625 -3.309 1.737 307 HB3 ALA 43 3HB ALA 43 -9.548 -4.422 3.103 308 H GLN 44 H GLN 44 -11.947 -5.629 3.723 309 HA GLN 44 HA GLN 44 -12.509 -6.626 1.296 310 HB2 GLN 44 2HB GLN 44 -13.749 -8.229 2.689 311 HB3 GLN 44 1HB GLN 44 -11.976 -8.165 2.783 312 HG2 GLN 44 2HG GLN 44 -12.734 -6.656 4.867 313 HG3 GLN 44 1HG GLN 44 -14.133 -7.736 4.728 314 HE21 GLN 44 1HE2 GLN 44 -10.841 -8.323 3.794 315 HE22 GLN 44 2HE2 GLN 44 -10.567 -9.681 4.731 316 H GLU 45 H GLU 45 -14.450 -5.071 3.630 317 HA GLU 45 HA GLU 45 -17.027 -5.652 2.493 318 HB2 GLU 45 2HB GLU 45 -16.220 -3.428 4.325 319 HB3 GLU 45 1HB GLU 45 -17.862 -4.004 4.071 320 HG2 GLU 45 2HG GLU 45 -15.613 -5.479 5.442 321 HG3 GLU 45 1HG GLU 45 -17.074 -4.839 6.187 322 H VAL 46 H VAL 46 -14.806 -2.935 2.603 323 HA VAL 46 HA VAL 46 -16.378 -1.129 1.139 324 HB VAL 46 HB VAL 46 -13.354 -1.039 1.182 325 HG11 VAL 46 1HG1 VAL 46 -14.433 0.590 -0.221 326 HG12 VAL 46 2HG1 VAL 46 -13.684 1.359 1.196 327 HG13 VAL 46 3HG1 VAL 46 -15.433 1.100 1.149 328 HG21 VAL 46 3HG2 VAL 46 -13.515 0.277 3.272 329 HG22 VAL 46 1HG2 VAL 46 -13.966 -1.415 3.458 330 HG23 VAL 46 2HG2 VAL 46 -15.222 -0.170 3.385 331 H MET 47 H MET 47 -14.033 -3.557 0.116 332 HA MET 47 HA MET 47 -13.940 -2.656 -2.584 333 HB2 MET 47 2HB MET 47 -12.662 -4.614 -3.126 334 HB3 MET 47 1HB MET 47 -12.142 -4.043 -1.553 335 HG2 MET 47 2HG MET 47 -13.482 -5.814 -0.501 336 HG3 MET 47 1HG MET 47 -13.913 -6.404 -2.108 337 HE1 MET 47 3HE MET 47 -11.367 -9.142 -0.959 338 HE2 MET 47 1HE MET 47 -12.956 -8.839 -1.656 339 HE3 MET 47 2HE MET 47 -12.614 -8.344 -0.002 340 H ALA 48 H ALA 48 -16.282 -4.397 -0.877 341 HA ALA 48 HA ALA 48 -17.433 -5.541 -3.267 342 HB1 ALA 48 1HB ALA 48 -19.223 -6.312 -1.764 343 HB2 ALA 48 2HB ALA 48 -18.505 -5.389 -0.440 344 HB3 ALA 48 3HB ALA 48 -17.636 -6.753 -1.135 345 H ALA 49 H ALA 49 -17.465 -2.646 -1.504 346 HA ALA 49 HA ALA 49 -20.036 -1.750 -2.483 347 HB1 ALA 49 1HB ALA 49 -17.969 -0.283 -0.847 348 HB2 ALA 49 2HB ALA 49 -19.342 -1.182 -0.203 349 HB3 ALA 49 3HB ALA 49 -19.615 0.262 -1.181 350 H ALA 50 H ALA 50 -16.532 -1.016 -3.054 351 HA ALA 50 HA ALA 50 -17.308 0.169 -5.537 352 HB1 ALA 50 1HB ALA 50 -15.334 1.302 -3.537 353 HB2 ALA 50 2HB ALA 50 -16.902 1.998 -3.933 354 HB3 ALA 50 3HB ALA 50 -15.638 1.930 -5.159 355 HA PRO 51 HA PRO 51 -14.256 -3.141 -5.883 356 HB2 PRO 51 2HB PRO 51 -15.126 -3.563 -8.605 357 HB3 PRO 51 1HB PRO 51 -15.390 -4.549 -7.155 358 HG2 PRO 51 2HG PRO 51 -17.372 -3.151 -8.500 359 HG3 PRO 51 1HG PRO 51 -17.464 -3.762 -6.839 360 HD2 PRO 51 2HD PRO 51 -16.911 -1.012 -7.824 361 HD3 PRO 51 1HD PRO 51 -17.777 -1.562 -6.370 362 H LEU 52 H LEU 52 -13.241 -0.767 -5.975 363 HA LEU 52 HA LEU 52 -11.817 -0.317 -8.475 364 HB2 LEU 52 2HB LEU 52 -10.779 1.545 -6.972 365 HB3 LEU 52 1HB LEU 52 -12.342 1.850 -7.654 366 HG LEU 52 HG LEU 52 -13.116 0.778 -5.331 367 HD11 LEU 52 1HD1 LEU 52 -11.728 1.388 -3.484 368 HD12 LEU 52 2HD1 LEU 52 -10.434 1.869 -4.589 369 HD13 LEU 52 3HD1 LEU 52 -10.971 0.182 -4.519 370 HD21 LEU 52 3HD2 LEU 52 -13.800 2.950 -5.976 371 HD22 LEU 52 1HD2 LEU 52 -12.182 3.607 -5.649 372 HD23 LEU 52 2HD2 LEU 52 -13.191 2.998 -4.326 373 H GLN 53 H GLN 53 -9.377 0.102 -8.189 374 HA GLN 53 HA GLN 53 -8.197 -2.253 -7.276 375 HB2 GLN 53 2HB GLN 53 -7.716 -0.371 -9.121 376 HB3 GLN 53 1HB GLN 53 -6.672 0.199 -7.839 377 HG2 GLN 53 2HG GLN 53 -6.657 -2.455 -9.099 378 HG3 GLN 53 1HG GLN 53 -5.500 -1.151 -9.420 379 HE21 GLN 53 1HE2 GLN 53 -4.093 -0.531 -7.690 380 HE22 GLN 53 2HE2 GLN 53 -3.729 -1.644 -6.413 381 H TYR 54 H TYR 54 -6.926 -2.561 -5.442 382 HA TYR 54 HA TYR 54 -6.912 -0.426 -3.451 383 HB2 TYR 54 2HB TYR 54 -7.231 -3.403 -3.129 384 HB3 TYR 54 1HB TYR 54 -6.566 -2.407 -1.837 385 HD1 TYR 54 1HD TYR 54 -9.501 -2.365 -4.148 386 HD2 TYR 54 2HD TYR 54 -7.989 -1.679 -0.250 387 HE1 TYR 54 1HE TYR 54 -11.741 -1.736 -3.392 388 HE2 TYR 54 2HE TYR 54 -10.220 -1.043 0.517 389 HH TYR 54 HH TYR 54 -12.992 -1.561 -1.382 390 H VAL 55 H VAL 55 -5.045 0.098 -2.492 391 HA VAL 55 HA VAL 55 -2.713 -1.494 -3.125 392 HB VAL 55 HB VAL 55 -2.806 0.534 -4.641 393 HG11 VAL 55 1HG1 VAL 55 -2.388 2.757 -3.700 394 HG12 VAL 55 2HG1 VAL 55 -2.591 2.100 -2.076 395 HG13 VAL 55 3HG1 VAL 55 -3.946 2.098 -3.199 396 HG21 VAL 55 3HG2 VAL 55 -0.561 0.485 -2.623 397 HG22 VAL 55 1HG2 VAL 55 -0.492 1.279 -4.199 398 HG23 VAL 55 2HG2 VAL 55 -0.677 -0.475 -4.075 399 H GLY 56 H GLY 56 -1.215 -1.415 -1.515 400 HA2 GLY 56 2HA GLY 56 -2.190 -0.179 1.029 401 HA3 GLY 56 1HA GLY 56 -1.424 -1.786 0.913 402 H VAL 57 H VAL 57 -0.796 0.820 2.314 403 HA VAL 57 HA VAL 57 2.050 0.861 1.589 404 HB VAL 57 HB VAL 57 0.470 3.305 2.454 405 HG11 VAL 57 1HG1 VAL 57 3.270 3.095 1.412 406 HG12 VAL 57 2HG1 VAL 57 2.771 3.430 3.066 407 HG13 VAL 57 3HG1 VAL 57 2.424 4.596 1.787 408 HG21 VAL 57 3HG2 VAL 57 1.355 2.679 -0.367 409 HG22 VAL 57 1HG2 VAL 57 0.666 4.207 0.179 410 HG23 VAL 57 2HG2 VAL 57 -0.303 2.736 0.223 411 H PHE 58 H PHE 58 3.115 0.146 3.419 412 HA PHE 58 HA PHE 58 2.628 1.296 5.965 413 HB2 PHE 58 2HB PHE 58 0.598 -0.213 5.703 414 HB3 PHE 58 1HB PHE 58 1.695 -1.583 5.687 415 HD1 PHE 58 1HD PHE 58 0.877 1.405 7.760 416 HD2 PHE 58 2HD PHE 58 2.046 -2.681 7.674 417 HE1 PHE 58 1HE PHE 58 0.725 1.316 10.212 418 HE2 PHE 58 2HE PHE 58 1.904 -2.780 10.110 419 HZ PHE 58 HZ PHE 58 1.244 -0.779 11.395 420 H ARG 59 H ARG 59 4.092 0.297 7.633 421 HA ARG 59 HA ARG 59 6.188 -1.205 6.305 422 HB2 ARG 59 2HB ARG 59 7.672 -0.774 8.237 423 HB3 ARG 59 1HB ARG 59 7.065 0.728 7.581 424 HG2 ARG 59 2HG ARG 59 5.588 1.020 9.438 425 HG3 ARG 59 1HG ARG 59 5.970 -0.596 10.047 426 HD2 ARG 59 2HD ARG 59 7.935 1.677 9.751 427 HD3 ARG 59 1HD ARG 59 7.197 1.161 11.268 428 HE ARG 59 HE ARG 59 8.315 -1.101 10.575 429 HH11 ARG 59 1HH1 ARG 59 9.705 2.137 10.359 430 HH12 ARG 59 2HH1 ARG 59 11.321 1.650 10.536 431 HH21 ARG 59 1HH2 ARG 59 10.598 -1.843 10.779 432 HH22 ARG 59 2HH2 ARG 59 11.816 -0.670 10.781 433 H ASN 60 H ASN 60 5.482 -3.175 6.163 434 HA ASN 60 HA ASN 60 4.243 -4.406 8.423 435 HB2 ASN 60 2HB ASN 60 4.762 -5.384 5.620 436 HB3 ASN 60 1HB ASN 60 3.830 -6.252 6.835 437 HD21 ASN 60 1HD2 ASN 60 1.642 -5.605 7.238 438 HD22 ASN 60 2HD2 ASN 60 0.899 -4.419 6.243 439 H HIS 61 H HIS 61 5.413 -5.224 9.623 440 HA HIS 61 HA HIS 61 8.222 -5.734 9.394 441 HB2 HIS 61 2HB HIS 61 6.383 -6.732 11.589 442 HB3 HIS 61 1HB HIS 61 8.134 -6.593 11.677 443 HD1 HIS 61 1HD HIS 61 5.500 -4.973 13.189 444 HD2 HIS 61 2HD HIS 61 8.596 -3.557 10.795 445 HE1 HIS 61 1HE HIS 61 5.705 -2.524 13.679 446 H ASP 62 H ASP 62 5.398 -7.789 9.352 447 HA ASP 62 HA ASP 62 7.067 -10.162 8.886 448 HB2 ASP 62 2HB ASP 62 4.118 -9.907 9.436 449 HB3 ASP 62 1HB ASP 62 4.926 -11.427 9.104 450 H ILE 63 H ILE 63 7.312 -10.941 6.901 451 HA ILE 63 HA ILE 63 6.064 -9.766 4.665 452 HB ILE 63 HB ILE 63 8.231 -10.902 4.409 453 HG12 ILE 63 2HG1 ILE 63 6.237 -12.483 2.805 454 HG13 ILE 63 1HG1 ILE 63 6.517 -10.774 2.515 455 HG21 ILE 63 1HG2 ILE 63 8.432 -13.341 4.446 456 HG22 ILE 63 2HG2 ILE 63 6.773 -13.457 5.032 457 HG23 ILE 63 3HG2 ILE 63 8.004 -12.674 6.021 458 HD11 ILE 63 3HD1 ILE 63 7.777 -12.223 1.001 459 HD12 ILE 63 1HD1 ILE 63 8.613 -12.930 2.381 460 HD13 ILE 63 2HD1 ILE 63 8.820 -11.215 1.986 461 H ALA 64 H ALA 64 5.185 -12.415 6.708 462 HA ALA 64 HA ALA 64 3.183 -13.498 4.979 463 HB1 ALA 64 1HB ALA 64 3.509 -13.830 7.960 464 HB2 ALA 64 2HB ALA 64 4.266 -14.840 6.727 465 HB3 ALA 64 3HB ALA 64 2.510 -14.825 6.902 466 H ASP 65 H ASP 65 3.348 -10.737 6.819 467 HA ASP 65 HA ASP 65 0.497 -10.558 7.368 468 HB2 ASP 65 2HB ASP 65 2.140 -9.610 8.972 469 HB3 ASP 65 1HB ASP 65 2.701 -8.502 7.733 470 H VAL 66 H VAL 66 2.970 -9.188 5.311 471 HA VAL 66 HA VAL 66 1.394 -7.433 3.759 472 HB VAL 66 HB VAL 66 3.718 -9.053 2.714 473 HG11 VAL 66 1HG1 VAL 66 4.124 -7.120 1.278 474 HG12 VAL 66 2HG1 VAL 66 2.727 -6.316 1.993 475 HG13 VAL 66 3HG1 VAL 66 2.501 -7.779 1.041 476 HG21 VAL 66 3HG2 VAL 66 5.192 -7.219 3.470 477 HG22 VAL 66 1HG2 VAL 66 4.422 -8.076 4.809 478 HG23 VAL 66 2HG2 VAL 66 3.803 -6.511 4.288 479 H VAL 67 H VAL 67 2.454 -10.755 3.243 480 HA VAL 67 HA VAL 67 1.220 -11.202 0.772 481 HB VAL 67 HB VAL 67 1.918 -13.247 2.906 482 HG11 VAL 67 1HG1 VAL 67 0.327 -14.181 1.290 483 HG12 VAL 67 2HG1 VAL 67 1.926 -14.898 1.088 484 HG13 VAL 67 3HG1 VAL 67 1.365 -13.663 -0.039 485 HG21 VAL 67 3HG2 VAL 67 3.447 -12.351 0.474 486 HG22 VAL 67 1HG2 VAL 67 3.942 -13.596 1.617 487 HG23 VAL 67 2HG2 VAL 67 3.817 -11.916 2.143 488 H ASP 68 H ASP 68 0.011 -11.593 4.043 489 HA ASP 68 HA ASP 68 -2.285 -13.012 3.260 490 HB2 ASP 68 2HB ASP 68 -1.452 -12.996 5.605 491 HB3 ASP 68 1HB ASP 68 -2.002 -11.326 5.745 492 H LYS 69 H LYS 69 -1.707 -9.560 3.762 493 HA LYS 69 HA LYS 69 -4.438 -8.770 3.286 494 HB2 LYS 69 2HB LYS 69 -2.118 -7.021 2.551 495 HB3 LYS 69 1HB LYS 69 -3.685 -6.540 3.160 496 HG2 LYS 69 2HG LYS 69 -1.346 -7.652 4.673 497 HG3 LYS 69 1HG LYS 69 -2.067 -6.053 4.795 498 HD2 LYS 69 2HD LYS 69 -4.083 -7.056 5.766 499 HD3 LYS 69 1HD LYS 69 -3.325 -8.655 5.664 500 HE2 LYS 69 2HE LYS 69 -1.431 -7.746 7.026 501 HE3 LYS 69 1HE LYS 69 -2.398 -6.278 7.197 502 HZ1 LYS 69 3HZ LYS 69 -4.044 -7.498 8.421 503 HZ2 LYS 69 1HZ LYS 69 -2.541 -7.766 9.103 504 HZ3 LYS 69 2HZ LYS 69 -3.252 -8.957 8.164 505 H ALA 70 H ALA 70 -1.554 -8.996 1.294 506 HA ALA 70 HA ALA 70 -2.561 -7.979 -1.086 507 HB1 ALA 70 1HB ALA 70 -0.177 -8.415 -0.598 508 HB2 ALA 70 2HB ALA 70 -0.699 -9.042 -2.149 509 HB3 ALA 70 3HB ALA 70 -0.481 -10.145 -0.786 510 H LYS 71 H LYS 71 -2.675 -11.154 0.276 511 HA LYS 71 HA LYS 71 -3.894 -12.479 -1.916 512 HB2 LYS 71 2HB LYS 71 -2.638 -13.768 -0.382 513 HB3 LYS 71 1HB LYS 71 -3.496 -13.085 0.988 514 HG2 LYS 71 2HG LYS 71 -5.491 -14.281 0.368 515 HG3 LYS 71 1HG LYS 71 -4.687 -14.929 -1.059 516 HD2 LYS 71 2HD LYS 71 -4.732 -16.556 0.804 517 HD3 LYS 71 1HD LYS 71 -3.083 -16.128 0.319 518 HE2 LYS 71 2HE LYS 71 -3.206 -16.249 2.725 519 HE3 LYS 71 1HE LYS 71 -2.992 -14.570 2.265 520 HZ1 LYS 71 3HZ LYS 71 -4.631 -14.665 3.977 521 HZ2 LYS 71 1HZ LYS 71 -5.484 -15.893 3.197 522 HZ3 LYS 71 2HZ LYS 71 -5.496 -14.374 2.544 523 H VAL 72 H VAL 72 -5.125 -11.531 1.284 524 HA VAL 72 HA VAL 72 -7.774 -12.243 0.914 525 HB VAL 72 HB VAL 72 -6.723 -10.026 2.690 526 HG11 VAL 72 1HG1 VAL 72 -9.361 -11.480 2.767 527 HG12 VAL 72 2HG1 VAL 72 -9.132 -9.818 2.248 528 HG13 VAL 72 3HG1 VAL 72 -8.809 -10.269 3.927 529 HG21 VAL 72 3HG2 VAL 72 -7.401 -12.902 3.289 530 HG22 VAL 72 1HG2 VAL 72 -6.898 -11.679 4.459 531 HG23 VAL 72 2HG2 VAL 72 -5.777 -12.196 3.204 532 H LEU 73 H LEU 73 -6.466 -8.883 0.577 533 HA LEU 73 HA LEU 73 -9.061 -8.177 -0.407 534 HB2 LEU 73 2HB LEU 73 -6.610 -6.412 -0.304 535 HB3 LEU 73 1HB LEU 73 -8.222 -5.878 -0.699 536 HG LEU 73 HG LEU 73 -7.984 -5.170 1.438 537 HD11 LEU 73 1HD1 LEU 73 -9.227 -7.874 1.731 538 HD12 LEU 73 2HD1 LEU 73 -10.033 -6.364 1.312 539 HD13 LEU 73 3HD1 LEU 73 -9.337 -6.579 2.918 540 HD21 LEU 73 3HD2 LEU 73 -6.904 -6.395 3.250 541 HD22 LEU 73 1HD2 LEU 73 -5.827 -6.175 1.875 542 HD23 LEU 73 2HD2 LEU 73 -6.592 -7.740 2.153 543 H SER 74 H SER 74 -6.509 -9.664 -1.774 544 HA SER 74 HA SER 74 -5.410 -9.775 -3.679 545 HB2 SER 74 2HB SER 74 -6.895 -9.716 -5.775 546 HB3 SER 74 1HB SER 74 -7.329 -10.876 -4.524 547 HG SER 74 HG SER 74 -8.526 -8.482 -4.113 548 H LEU 75 H LEU 75 -4.362 -7.875 -2.883 549 HA LEU 75 HA LEU 75 -4.827 -5.295 -3.982 550 HB2 LEU 75 2HB LEU 75 -2.285 -6.392 -2.777 551 HB3 LEU 75 1HB LEU 75 -2.686 -4.706 -3.017 552 HG LEU 75 HG LEU 75 -4.141 -6.561 -1.129 553 HD11 LEU 75 1HD1 LEU 75 -1.842 -6.115 -0.431 554 HD12 LEU 75 2HD1 LEU 75 -3.040 -5.407 0.641 555 HD13 LEU 75 3HD1 LEU 75 -2.158 -4.373 -0.490 556 HD21 LEU 75 3HD2 LEU 75 -5.131 -4.497 -0.258 557 HD22 LEU 75 1HD2 LEU 75 -5.555 -4.777 -1.949 558 HD23 LEU 75 2HD2 LEU 75 -4.327 -3.582 -1.538 559 H ALA 76 H ALA 76 -2.837 -4.214 -5.095 560 HA ALA 76 HA ALA 76 -1.939 -6.017 -7.226 561 HB1 ALA 76 1HB ALA 76 -2.257 -4.285 -8.910 562 HB2 ALA 76 2HB ALA 76 -2.897 -3.201 -7.665 563 HB3 ALA 76 3HB ALA 76 -3.783 -4.649 -8.096 564 H ALA 77 H ALA 77 -1.371 -3.147 -5.290 565 HA ALA 77 HA ALA 77 1.407 -3.842 -5.492 566 HB1 ALA 77 1HB ALA 77 1.067 -2.008 -7.031 567 HB2 ALA 77 2HB ALA 77 2.013 -1.501 -5.637 568 HB3 ALA 77 3HB ALA 77 0.310 -1.063 -5.750 569 H VAL 78 H VAL 78 2.551 -3.171 -3.702 570 HA VAL 78 HA VAL 78 1.073 -2.042 -1.472 571 HB VAL 78 HB VAL 78 0.948 -4.448 -1.131 572 HG11 VAL 78 1HG1 VAL 78 3.140 -5.739 -0.797 573 HG12 VAL 78 2HG1 VAL 78 3.916 -4.320 -1.577 574 HG13 VAL 78 3HG1 VAL 78 2.734 -5.257 -2.449 575 HG21 VAL 78 3HG2 VAL 78 3.002 -3.205 0.696 576 HG22 VAL 78 1HG2 VAL 78 2.038 -4.634 1.074 577 HG23 VAL 78 2HG2 VAL 78 1.250 -3.068 0.863 578 H GLN 79 H GLN 79 2.389 -0.632 -0.273 579 HA GLN 79 HA GLN 79 5.028 -0.276 -1.285 580 HB2 GLN 79 2HB GLN 79 2.984 1.433 -0.005 581 HB3 GLN 79 1HB GLN 79 4.677 1.863 0.085 582 HG2 GLN 79 2HG GLN 79 3.704 3.032 -1.712 583 HG3 GLN 79 1HG GLN 79 4.727 1.772 -2.388 584 HE21 GLN 79 1HE2 GLN 79 3.656 -0.116 -3.296 585 HE22 GLN 79 2HE2 GLN 79 2.028 0.049 -3.855 586 H LEU 80 H LEU 80 6.395 -1.209 -0.196 587 HA LEU 80 HA LEU 80 6.020 -1.533 2.682 588 HB2 LEU 80 2HB LEU 80 8.128 -2.682 0.845 589 HB3 LEU 80 1HB LEU 80 8.195 -2.834 2.582 590 HG LEU 80 HG LEU 80 7.426 -4.883 1.783 591 HD11 LEU 80 1HD1 LEU 80 6.241 -4.165 3.729 592 HD12 LEU 80 2HD1 LEU 80 5.198 -5.136 2.692 593 HD13 LEU 80 3HD1 LEU 80 5.010 -3.386 2.732 594 HD21 LEU 80 3HD2 LEU 80 6.817 -4.299 -0.474 595 HD22 LEU 80 1HD2 LEU 80 5.405 -3.407 0.102 596 HD23 LEU 80 2HD2 LEU 80 5.483 -5.157 0.295 597 H HIS 81 H HIS 81 6.779 -0.100 3.974 598 HA HIS 81 HA HIS 81 8.727 1.800 3.083 599 HB2 HIS 81 2HB HIS 81 7.657 1.233 5.851 600 HB3 HIS 81 1HB HIS 81 8.814 2.517 5.502 601 HD1 HIS 81 1HD HIS 81 7.781 4.767 4.892 602 HD2 HIS 81 2HD HIS 81 5.113 1.604 4.523 603 HE1 HIS 81 1HE HIS 81 5.559 5.782 4.312 604 H GLY 82 H GLY 82 10.440 0.872 2.469 605 HA2 GLY 82 2HA GLY 82 11.437 -1.527 3.292 606 HA3 GLY 82 1HA GLY 82 12.342 -0.366 2.331 607 H ASN 83 H ASN 83 11.841 1.258 5.004 608 HA ASN 83 HA ASN 83 14.382 1.353 6.000 609 HB2 ASN 83 2HB ASN 83 11.866 1.728 7.631 610 HB3 ASN 83 1HB ASN 83 13.475 2.232 8.125 611 HD21 ASN 83 1HD2 ASN 83 10.680 3.011 6.312 612 HD22 ASN 83 2HD2 ASN 83 11.249 4.511 5.690 613 H GLU 84 H GLU 84 12.110 -1.162 6.651 614 HA GLU 84 HA GLU 84 13.107 -2.179 9.056 615 HB2 GLU 84 2HB GLU 84 10.940 -2.758 7.960 616 HB3 GLU 84 1HB GLU 84 11.849 -3.748 6.823 617 HG2 GLU 84 2HG GLU 84 10.873 -5.070 8.631 618 HG3 GLU 84 1HG GLU 84 12.639 -5.144 8.634 619 H GLU 85 H GLU 85 13.985 -3.047 5.700 620 HA GLU 85 HA GLU 85 16.663 -3.872 6.330 621 HB2 GLU 85 2HB GLU 85 14.794 -5.741 7.081 622 HB3 GLU 85 1HB GLU 85 15.088 -6.165 5.401 623 HG2 GLU 85 2HG GLU 85 17.159 -5.944 7.543 624 HG3 GLU 85 1HG GLU 85 16.463 -7.432 6.915 625 H GLN 86 H GLN 86 17.771 -4.369 4.307 626 HA GLN 86 HA GLN 86 16.537 -3.081 2.102 627 HB2 GLN 86 2HB GLN 86 19.180 -4.330 2.642 628 HB3 GLN 86 1HB GLN 86 18.744 -3.751 1.054 629 HG2 GLN 86 2HG GLN 86 18.469 -1.485 1.935 630 HG3 GLN 86 1HG GLN 86 18.820 -2.072 3.561 631 HE21 GLN 86 1HE2 GLN 86 20.884 -3.842 2.775 632 HE22 GLN 86 2HE2 GLN 86 22.256 -2.915 2.316 633 H LEU 87 H LEU 87 17.501 -6.283 2.975 634 HA LEU 87 HA LEU 87 17.075 -7.293 0.354 635 HB2 LEU 87 2HB LEU 87 17.863 -8.693 2.877 636 HB3 LEU 87 1HB LEU 87 17.970 -9.366 1.252 637 HG LEU 87 HG LEU 87 19.353 -6.878 2.102 638 HD11 LEU 87 1HD1 LEU 87 20.446 -9.696 2.008 639 HD12 LEU 87 2HD1 LEU 87 20.266 -8.657 3.432 640 HD13 LEU 87 3HD1 LEU 87 21.438 -8.245 2.183 641 HD21 LEU 87 3HD2 LEU 87 20.760 -7.275 0.112 642 HD22 LEU 87 1HD2 LEU 87 19.058 -7.005 -0.257 643 HD23 LEU 87 2HD2 LEU 87 19.721 -8.639 -0.305 644 H TYR 88 H TYR 88 15.394 -6.808 3.170 645 HA TYR 88 HA TYR 88 13.459 -8.807 3.161 646 HB2 TYR 88 2HB TYR 88 13.561 -7.343 5.038 647 HB3 TYR 88 1HB TYR 88 13.312 -5.914 4.032 648 HD1 TYR 88 2HD TYR 88 11.573 -9.158 4.432 649 HD2 TYR 88 1HD TYR 88 11.294 -4.944 4.530 650 HE1 TYR 88 2HE TYR 88 9.185 -9.360 4.868 651 HE2 TYR 88 1HE TYR 88 8.840 -5.121 5.010 652 HH TYR 88 HH TYR 88 7.407 -7.937 5.970 653 H ILE 89 H ILE 89 13.648 -5.831 1.332 654 HA ILE 89 HA ILE 89 11.093 -6.017 0.130 655 HB ILE 89 HB ILE 89 13.639 -4.649 -0.688 656 HG12 ILE 89 2HG1 ILE 89 12.238 -2.546 -0.310 657 HG13 ILE 89 1HG1 ILE 89 11.013 -3.604 0.359 658 HG21 ILE 89 1HG2 ILE 89 12.331 -3.462 -2.468 659 HG22 ILE 89 2HG2 ILE 89 10.943 -4.482 -2.049 660 HG23 ILE 89 3HG2 ILE 89 12.388 -5.217 -2.741 661 HD11 ILE 89 3HD1 ILE 89 12.494 -4.282 2.110 662 HD12 ILE 89 1HD1 ILE 89 12.393 -2.526 2.049 663 HD13 ILE 89 2HD1 ILE 89 13.809 -3.349 1.398 664 H ASP 90 H ASP 90 14.208 -7.157 -0.696 665 HA ASP 90 HA ASP 90 13.625 -8.349 -3.222 666 HB2 ASP 90 2HB ASP 90 15.881 -7.791 -2.219 667 HB3 ASP 90 1HB ASP 90 15.707 -9.201 -1.225 668 H THR 91 H THR 91 12.859 -9.182 -0.070 669 HA THR 91 HA THR 91 12.568 -12.046 -0.427 670 HB THR 91 HB THR 91 11.893 -10.183 1.841 671 HG1 THR 91 1HG THR 91 14.163 -10.449 1.406 672 HG21 THR 91 3HG2 THR 91 11.557 -12.146 3.187 673 HG22 THR 91 1HG2 THR 91 11.928 -13.186 1.766 674 HG23 THR 91 2HG2 THR 91 10.564 -12.056 1.714 675 H LEU 92 H LEU 92 10.469 -9.176 -0.092 676 HA LEU 92 HA LEU 92 8.015 -10.345 -0.030 677 HB2 LEU 92 2HB LEU 92 9.003 -7.784 -1.125 678 HB3 LEU 92 1HB LEU 92 7.339 -8.221 -1.479 679 HG LEU 92 HG LEU 92 7.314 -6.721 0.366 680 HD11 LEU 92 1HD1 LEU 92 5.846 -8.678 0.573 681 HD12 LEU 92 2HD1 LEU 92 6.414 -8.063 2.148 682 HD13 LEU 92 3HD1 LEU 92 7.202 -9.461 1.402 683 HD21 LEU 92 3HD2 LEU 92 9.310 -8.529 1.596 684 HD22 LEU 92 1HD2 LEU 92 8.569 -7.148 2.410 685 HD23 LEU 92 2HD2 LEU 92 9.613 -6.882 1.008 686 H ARG 93 H ARG 93 10.006 -9.565 -2.728 687 HA ARG 93 HA ARG 93 8.694 -10.087 -5.004 688 HB2 ARG 93 2HB ARG 93 11.332 -11.417 -4.389 689 HB3 ARG 93 1HB ARG 93 10.721 -11.028 -5.978 690 HG2 ARG 93 2HG ARG 93 11.804 -9.231 -3.873 691 HG3 ARG 93 1HG ARG 93 12.270 -9.379 -5.571 692 HD2 ARG 93 2HD ARG 93 9.860 -8.294 -4.350 693 HD3 ARG 93 1HD ARG 93 11.073 -7.392 -5.236 694 HE ARG 93 HE ARG 93 9.665 -9.547 -6.708 695 HH11 ARG 93 1HH1 ARG 93 10.115 -6.030 -6.630 696 HH12 ARG 93 2HH1 ARG 93 9.136 -5.805 -8.016 697 HH21 ARG 93 1HH2 ARG 93 8.334 -9.182 -8.489 698 HH22 ARG 93 2HH2 ARG 93 8.074 -7.599 -9.059 699 H GLU 94 H GLU 94 9.911 -12.320 -2.831 700 HA GLU 94 HA GLU 94 9.502 -14.741 -4.340 701 HB2 GLU 94 2HB GLU 94 9.971 -14.498 -1.379 702 HB3 GLU 94 1HB GLU 94 10.208 -15.934 -2.370 703 HG2 GLU 94 2HG GLU 94 11.958 -14.689 -3.618 704 HG3 GLU 94 1HG GLU 94 11.707 -13.366 -2.472 705 H ALA 95 H ALA 95 7.827 -13.297 -1.621 706 HA ALA 95 HA ALA 95 5.921 -15.503 -1.688 707 HB1 ALA 95 1HB ALA 95 5.212 -14.941 0.502 708 HB2 ALA 95 2HB ALA 95 6.046 -13.392 0.428 709 HB3 ALA 95 3HB ALA 95 6.975 -14.888 0.472 710 H LEU 96 H LEU 96 6.006 -12.458 -2.815 711 HA LEU 96 HA LEU 96 3.084 -12.087 -2.715 712 HB2 LEU 96 2HB LEU 96 5.218 -10.343 -3.944 713 HB3 LEU 96 1HB LEU 96 3.503 -9.989 -3.976 714 HG LEU 96 HG LEU 96 5.253 -10.111 -1.517 715 HD11 LEU 96 1HD1 LEU 96 4.801 -7.726 -1.373 716 HD12 LEU 96 2HD1 LEU 96 3.874 -7.807 -2.869 717 HD13 LEU 96 3HD1 LEU 96 5.607 -8.133 -2.887 718 HD21 LEU 96 3HD2 LEU 96 3.003 -10.913 -1.008 719 HD22 LEU 96 1HD2 LEU 96 2.310 -9.482 -1.772 720 HD23 LEU 96 2HD2 LEU 96 3.274 -9.322 -0.306 721 HA PRO 97 HA PRO 97 2.454 -14.284 -6.369 722 HB2 PRO 97 2HB PRO 97 -0.104 -13.443 -6.858 723 HB3 PRO 97 1HB PRO 97 0.307 -14.677 -5.662 724 HG2 PRO 97 2HG PRO 97 -0.246 -11.789 -5.293 725 HG3 PRO 97 1HG PRO 97 -0.791 -13.164 -4.307 726 HD2 PRO 97 2HD PRO 97 1.259 -11.574 -3.568 727 HD3 PRO 97 1HD PRO 97 1.228 -13.308 -3.183 728 H ALA 98 H ALA 98 1.829 -13.857 -8.555 729 HA ALA 98 HA ALA 98 3.439 -11.889 -9.700 730 HB1 ALA 98 1HB ALA 98 2.531 -12.615 -11.814 731 HB2 ALA 98 2HB ALA 98 1.199 -13.400 -10.953 732 HB3 ALA 98 3HB ALA 98 2.850 -14.000 -10.754 733 H HIS 99 H HIS 99 0.081 -11.752 -8.877 734 HA HIS 99 HA HIS 99 -0.264 -9.399 -10.472 735 HB2 HIS 99 2HB HIS 99 -2.650 -9.419 -9.426 736 HB3 HIS 99 1HB HIS 99 -2.226 -10.610 -10.632 737 HD1 HIS 99 1HD HIS 99 -3.022 -12.909 -10.031 738 HD2 HIS 99 2HD HIS 99 -2.165 -10.501 -6.835 739 HE1 HIS 99 1HE HIS 99 -3.625 -14.288 -8.029 740 H VAL 100 H VAL 100 1.049 -9.831 -7.355 741 HA VAL 100 HA VAL 100 0.121 -7.241 -6.577 742 HB VAL 100 HB VAL 100 1.545 -9.468 -5.127 743 HG11 VAL 100 1HG1 VAL 100 1.239 -8.102 -3.131 744 HG12 VAL 100 2HG1 VAL 100 0.557 -6.818 -4.166 745 HG13 VAL 100 3HG1 VAL 100 2.239 -7.346 -4.388 746 HG21 VAL 100 3HG2 VAL 100 -1.242 -8.399 -4.730 747 HG22 VAL 100 1HG2 VAL 100 -0.500 -9.770 -3.901 748 HG23 VAL 100 2HG2 VAL 100 -0.834 -9.855 -5.631 749 H ALA 101 H ALA 101 1.538 -5.659 -6.577 750 HA ALA 101 HA ALA 101 4.314 -6.230 -7.347 751 HB1 ALA 101 1HB ALA 101 3.054 -5.067 -9.094 752 HB2 ALA 101 2HB ALA 101 4.313 -4.027 -8.424 753 HB3 ALA 101 3HB ALA 101 2.631 -3.796 -7.947 754 H ILE 102 H ILE 102 5.742 -4.313 -6.656 755 HA ILE 102 HA ILE 102 5.084 -3.632 -3.862 756 HB ILE 102 HB ILE 102 7.764 -4.293 -5.051 757 HG12 ILE 102 2HG1 ILE 102 6.260 -5.839 -2.920 758 HG13 ILE 102 1HG1 ILE 102 6.263 -6.284 -4.622 759 HG21 ILE 102 1HG2 ILE 102 6.922 -3.329 -2.357 760 HG22 ILE 102 2HG2 ILE 102 7.992 -2.601 -3.537 761 HG23 ILE 102 3HG2 ILE 102 8.532 -4.057 -2.648 762 HD11 ILE 102 3HD1 ILE 102 8.662 -6.189 -2.792 763 HD12 ILE 102 1HD1 ILE 102 8.719 -6.508 -4.515 764 HD13 ILE 102 2HD1 ILE 102 7.922 -7.644 -3.462 765 H TRP 103 H TRP 103 5.245 -1.458 -3.517 766 HA TRP 103 HA TRP 103 7.008 -0.035 -5.421 767 HB2 TRP 103 2HB TRP 103 4.560 1.130 -4.143 768 HB3 TRP 103 1HB TRP 103 5.642 1.991 -5.230 769 HD1 TRP 103 HD TRP 103 5.450 -0.938 -7.100 770 HE1 TRP 103 1HE TRP 103 3.488 -1.043 -8.703 771 HE3 TRP 103 3HE TRP 103 2.716 2.657 -5.011 772 HZ2 TRP 103 2HZ TRP 103 0.961 0.288 -8.996 773 HZ3 TRP 103 3HZ TRP 103 0.497 3.274 -5.999 774 HH2 TRP 103 HH TRP 103 -0.330 2.103 -7.965 775 H LYS 104 H LYS 104 7.948 1.902 -4.579 776 HA LYS 104 HA LYS 104 8.603 1.565 -1.747 777 HB2 LYS 104 2HB LYS 104 10.423 1.444 -3.542 778 HB3 LYS 104 1HB LYS 104 10.097 3.124 -3.880 779 HG2 LYS 104 2HG LYS 104 11.118 2.076 -1.226 780 HG3 LYS 104 1HG LYS 104 12.136 2.721 -2.504 781 HD2 LYS 104 2HD LYS 104 10.867 4.883 -2.296 782 HD3 LYS 104 1HD LYS 104 10.049 4.199 -0.894 783 HE2 LYS 104 2HE LYS 104 11.854 5.522 -0.078 784 HE3 LYS 104 1HE LYS 104 12.309 3.833 0.127 785 HZ1 LYS 104 3HZ LYS 104 14.190 4.933 -0.725 786 HZ2 LYS 104 1HZ LYS 104 13.315 5.739 -1.921 787 HZ3 LYS 104 2HZ LYS 104 13.544 4.109 -2.076 788 H ALA 105 H ALA 105 7.487 2.879 -0.526 789 HA ALA 105 HA ALA 105 6.170 5.224 -1.447 790 HB1 ALA 105 1HB ALA 105 5.616 5.589 0.923 791 HB2 ALA 105 2HB ALA 105 6.734 4.306 1.383 792 HB3 ALA 105 3HB ALA 105 5.293 3.926 0.441 793 H LEU 106 H LEU 106 7.383 6.824 -2.156 794 HA LEU 106 HA LEU 106 9.898 7.461 -0.950 795 HB2 LEU 106 2HB LEU 106 9.649 7.498 -3.351 796 HB3 LEU 106 1HB LEU 106 8.357 8.666 -3.237 797 HG LEU 106 HG LEU 106 9.990 10.331 -2.352 798 HD11 LEU 106 1HD1 LEU 106 12.028 8.208 -2.990 799 HD12 LEU 106 2HD1 LEU 106 11.619 8.826 -1.388 800 HD13 LEU 106 3HD1 LEU 106 12.379 9.884 -2.572 801 HD21 LEU 106 3HD2 LEU 106 11.123 10.741 -4.479 802 HD22 LEU 106 1HD2 LEU 106 9.437 10.292 -4.727 803 HD23 LEU 106 2HD2 LEU 106 10.721 9.111 -5.012 804 H SER 107 H SER 107 9.634 8.365 0.978 805 HA SER 107 HA SER 107 7.789 10.283 1.768 806 HB2 SER 107 2HB SER 107 9.453 9.083 3.263 807 HB3 SER 107 1HB SER 107 10.712 10.119 2.595 808 HG SER 107 HG SER 107 9.877 10.860 4.590 809 H VAL 108 H VAL 108 7.457 12.241 1.016 810 HA VAL 108 HA VAL 108 8.578 13.216 -1.274 811 HB VAL 108 HB VAL 108 7.490 15.414 -0.766 812 HG11 VAL 108 1HG1 VAL 108 6.249 13.620 -1.835 813 HG12 VAL 108 2HG1 VAL 108 5.200 14.510 -0.731 814 HG13 VAL 108 3HG1 VAL 108 5.843 12.939 -0.262 815 HG21 VAL 108 3HG2 VAL 108 6.730 14.054 1.824 816 HG22 VAL 108 1HG2 VAL 108 6.137 15.616 1.262 817 HG23 VAL 108 2HG2 VAL 108 7.844 15.410 1.673 818 H GLY 109 H GLY 109 10.209 14.385 -1.905 819 HA2 GLY 109 2HA GLY 109 11.727 16.283 -1.216 820 HA3 GLY 109 1HA GLY 109 12.120 15.236 0.148 821 H GLU 110 H GLU 110 13.195 16.176 -2.767 822 HA GLU 110 HA GLU 110 13.872 13.681 -3.960 823 HB2 GLU 110 2HB GLU 110 14.832 16.463 -4.534 824 HB3 GLU 110 1HB GLU 110 15.286 15.050 -5.476 825 HG2 GLU 110 2HG GLU 110 12.955 14.660 -6.030 826 HG3 GLU 110 1HG GLU 110 12.491 16.065 -5.070 827 H THR 111 H THR 111 15.208 15.213 -1.333 828 HA THR 111 HA THR 111 17.918 14.518 -1.745 829 HB THR 111 HB THR 111 16.521 14.820 0.921 830 HG1 THR 111 1HG THR 111 17.679 16.926 -0.582 831 HG21 THR 111 3HG2 THR 111 19.314 15.472 -0.055 832 HG22 THR 111 1HG2 THR 111 18.879 14.113 0.978 833 HG23 THR 111 2HG2 THR 111 18.718 15.768 1.575 834 H LEU 112 H LEU 112 15.043 12.826 -0.807 835 HA LEU 112 HA LEU 112 16.232 10.644 0.595 836 HB2 LEU 112 2HB LEU 112 13.777 11.577 0.585 837 HB3 LEU 112 1HB LEU 112 13.584 10.621 -0.858 838 HG LEU 112 HG LEU 112 12.628 9.482 1.042 839 HD11 LEU 112 1HD1 LEU 112 13.591 8.032 -0.627 840 HD12 LEU 112 2HD1 LEU 112 13.759 7.334 0.984 841 HD13 LEU 112 3HD1 LEU 112 15.147 8.087 0.199 842 HD21 LEU 112 3HD2 LEU 112 15.354 9.673 2.294 843 HD22 LEU 112 1HD2 LEU 112 14.000 8.740 2.940 844 HD23 LEU 112 2HD2 LEU 112 13.884 10.494 2.817 845 HA PRO 113 HA PRO 113 18.037 9.089 -3.260 846 HB2 PRO 113 2HB PRO 113 18.454 6.663 -1.600 847 HB3 PRO 113 1HB PRO 113 19.617 7.584 -2.561 848 HG2 PRO 113 2HG PRO 113 19.631 7.802 0.074 849 HG3 PRO 113 1HG PRO 113 19.833 9.243 -0.938 850 HD2 PRO 113 2HD PRO 113 17.390 8.288 0.514 851 HD3 PRO 113 1HD PRO 113 18.067 9.928 0.375 852 H ALA 114 H ALA 114 17.242 8.056 -4.947 853 HA ALA 114 HA ALA 114 14.828 6.547 -4.765 854 HB1 ALA 114 1HB ALA 114 16.647 7.016 -7.137 855 HB2 ALA 114 2HB ALA 114 15.279 8.027 -6.675 856 HB3 ALA 114 3HB ALA 114 15.007 6.367 -7.203 857 H ARG 115 H ARG 115 18.136 5.766 -4.555 858 HA ARG 115 HA ARG 115 17.368 2.970 -4.827 859 HB2 ARG 115 2HB ARG 115 20.079 4.132 -5.405 860 HB3 ARG 115 1HB ARG 115 19.679 2.417 -5.386 861 HG2 ARG 115 2HG ARG 115 18.071 2.823 -7.211 862 HG3 ARG 115 1HG ARG 115 18.606 4.504 -7.248 863 HD2 ARG 115 2HD ARG 115 20.923 3.657 -7.639 864 HD3 ARG 115 1HD ARG 115 20.232 2.049 -7.819 865 HE ARG 115 HE ARG 115 18.808 3.661 -9.484 866 HH11 ARG 115 1HH1 ARG 115 22.151 2.578 -9.183 867 HH12 ARG 115 2HH1 ARG 115 22.548 2.865 -10.809 868 HH21 ARG 115 1HH2 ARG 115 19.348 4.072 -11.750 869 HH22 ARG 115 2HH2 ARG 115 20.916 3.729 -12.294 870 H GLU 116 H GLU 116 17.364 1.977 -3.156 871 HA GLU 116 HA GLU 116 19.290 2.059 -1.020 872 HB2 GLU 116 2HB GLU 116 16.364 2.564 -0.354 873 HB3 GLU 116 1HB GLU 116 17.714 2.549 0.749 874 HG2 GLU 116 2HG GLU 116 18.456 4.682 -0.101 875 HG3 GLU 116 1HG GLU 116 17.176 4.659 -1.317 876 H PHE 117 H PHE 117 15.954 1.494 -1.810 877 HA PHE 117 HA PHE 117 16.222 -1.383 -1.451 878 HB2 PHE 117 2HB PHE 117 13.733 0.328 -1.138 879 HB3 PHE 117 1HB PHE 117 13.908 -1.384 -0.742 880 HD1 PHE 117 2HD PHE 117 15.585 -1.990 0.974 881 HD2 PHE 117 1HD PHE 117 14.123 1.939 0.488 882 HE1 PHE 117 2HE PHE 117 16.409 -1.398 3.267 883 HE2 PHE 117 1HE PHE 117 14.924 2.557 2.730 884 HZ PHE 117 HZ PHE 117 16.073 0.886 4.120 885 H GLN 118 H GLN 118 16.553 -1.962 -3.462 886 HA GLN 118 HA GLN 118 14.894 -0.831 -5.563 887 HB2 GLN 118 2HB GLN 118 16.504 -1.880 -7.122 888 HB3 GLN 118 1HB GLN 118 17.306 -0.790 -6.004 889 HG2 GLN 118 2HG GLN 118 18.038 -2.709 -4.671 890 HG3 GLN 118 1HG GLN 118 17.233 -3.791 -5.804 891 HE21 GLN 118 1HE2 GLN 118 19.078 -4.827 -6.403 892 HE22 GLN 118 2HE2 GLN 118 20.328 -4.090 -7.345 893 H HIS 119 H HIS 119 14.850 -2.964 -7.297 894 HA HIS 119 HA HIS 119 13.761 -4.844 -7.828 895 HB2 HIS 119 2HB HIS 119 14.002 -5.651 -4.888 896 HB3 HIS 119 1HB HIS 119 13.503 -6.716 -6.196 897 HD1 HIS 119 1HD HIS 119 15.482 -7.268 -8.007 898 HD2 HIS 119 2HD HIS 119 16.663 -5.545 -4.417 899 HE1 HIS 119 1HE HIS 119 17.959 -7.625 -7.848 900 H VAL 120 H VAL 120 12.529 -2.457 -7.183 901 HA VAL 120 HA VAL 120 9.923 -3.323 -6.135 902 HB VAL 120 HB VAL 120 9.380 -0.947 -5.812 903 HG11 VAL 120 1HG1 VAL 120 10.875 -0.488 -3.914 904 HG12 VAL 120 2HG1 VAL 120 11.959 -1.753 -4.478 905 HG13 VAL 120 3HG1 VAL 120 10.328 -2.163 -3.945 906 HG21 VAL 120 3HG2 VAL 120 11.095 0.797 -6.013 907 HG22 VAL 120 1HG2 VAL 120 10.803 0.019 -7.568 908 HG23 VAL 120 2HG2 VAL 120 12.240 -0.395 -6.630 909 H ASP 121 H ASP 121 8.093 -2.293 -7.174 910 HA ASP 121 HA ASP 121 8.361 -2.685 -10.061 911 HB2 ASP 121 2HB ASP 121 6.550 -3.879 -9.089 912 HB3 ASP 121 1HB ASP 121 5.968 -2.463 -8.239 913 H LYS 122 H LYS 122 7.541 -0.154 -7.788 914 HA LYS 122 HA LYS 122 7.852 1.828 -9.848 915 HB2 LYS 122 2HB LYS 122 5.564 0.850 -10.155 916 HB3 LYS 122 1HB LYS 122 5.149 1.466 -8.569 917 HG2 LYS 122 2HG LYS 122 5.464 3.760 -9.383 918 HG3 LYS 122 1HG LYS 122 5.884 3.109 -10.973 919 HD2 LYS 122 2HD LYS 122 3.245 2.685 -9.570 920 HD3 LYS 122 1HD LYS 122 3.535 3.818 -10.892 921 HE2 LYS 122 2HE LYS 122 4.183 1.943 -12.342 922 HE3 LYS 122 1HE LYS 122 3.879 0.817 -11.029 923 HZ1 LYS 122 3HZ LYS 122 1.532 1.460 -11.069 924 HZ2 LYS 122 1HZ LYS 122 2.067 0.854 -12.529 925 HZ3 LYS 122 2HZ LYS 122 1.831 2.492 -12.386 926 H TYR 123 H TYR 123 7.638 3.930 -8.964 927 HA TYR 123 HA TYR 123 7.958 4.082 -6.073 928 HB2 TYR 123 2HB TYR 123 9.251 5.473 -8.312 929 HB3 TYR 123 1HB TYR 123 8.717 6.536 -7.014 930 HD1 TYR 123 1HD TYR 123 10.631 3.382 -7.561 931 HD2 TYR 123 2HD TYR 123 10.018 6.839 -5.193 932 HE1 TYR 123 1HE TYR 123 12.562 2.771 -6.203 933 HE2 TYR 123 2HE TYR 123 11.955 6.259 -3.811 934 HH TYR 123 HH TYR 123 14.181 3.923 -4.702 935 H VAL 124 H VAL 124 6.737 5.487 -4.910 936 HA VAL 124 HA VAL 124 4.846 7.204 -6.235 937 HB VAL 124 HB VAL 124 3.719 5.014 -5.978 938 HG11 VAL 124 1HG1 VAL 124 4.161 5.410 -3.035 939 HG12 VAL 124 2HG1 VAL 124 4.755 4.089 -4.052 940 HG13 VAL 124 3HG1 VAL 124 3.033 4.243 -3.712 941 HG21 VAL 124 3HG2 VAL 124 2.321 6.990 -5.987 942 HG22 VAL 124 1HG2 VAL 124 2.514 7.174 -4.243 943 HG23 VAL 124 2HG2 VAL 124 1.639 5.788 -4.897 944 H LEU 125 H LEU 125 3.830 8.500 -4.494 945 HA LEU 125 HA LEU 125 5.995 9.276 -2.696 946 HB2 LEU 125 2HB LEU 125 3.414 10.705 -3.307 947 HB3 LEU 125 1HB LEU 125 4.661 11.304 -2.238 948 HG LEU 125 HG LEU 125 4.934 10.873 -5.212 949 HD11 LEU 125 1HD1 LEU 125 3.554 12.785 -4.632 950 HD12 LEU 125 2HD1 LEU 125 5.099 13.303 -5.303 951 HD13 LEU 125 3HD1 LEU 125 4.817 13.392 -3.563 952 HD21 LEU 125 3HD2 LEU 125 6.919 11.951 -3.202 953 HD22 LEU 125 1HD2 LEU 125 7.118 11.983 -4.954 954 HD23 LEU 125 2HD2 LEU 125 7.057 10.442 -4.105 955 H ASP 126 H ASP 126 5.807 9.542 -0.547 956 HA ASP 126 HA ASP 126 4.150 7.733 0.860 957 HB2 ASP 126 2HB ASP 126 6.300 8.285 1.805 958 HB3 ASP 126 1HB ASP 126 5.888 10.001 1.785 959 H ASN 127 H ASN 127 2.038 8.110 0.826 960 HA ASN 127 HA ASN 127 1.089 10.776 1.631 961 HB2 ASN 127 2HB ASN 127 -0.273 8.667 -0.055 962 HB3 ASN 127 1HB ASN 127 -1.166 9.990 0.680 963 HD21 ASN 127 1HD2 ASN 127 -0.841 12.095 -0.097 964 HD22 ASN 127 2HD2 ASN 127 -0.100 12.392 -1.625 965 H GLY 128 H GLY 128 2.016 8.394 3.203 966 HA2 GLY 128 2HA GLY 128 -0.308 8.286 4.967 967 HA3 GLY 128 1HA GLY 128 0.530 6.802 4.506 968 H GLN 129 H GLN 129 1.472 10.046 5.521 969 HA GLN 129 HA GLN 129 3.864 9.248 6.734 970 HB2 GLN 129 2HB GLN 129 3.422 11.525 5.930 971 HB3 GLN 129 1HB GLN 129 2.235 11.739 7.206 972 HG2 GLN 129 2HG GLN 129 3.956 11.551 8.885 973 HG3 GLN 129 1HG GLN 129 5.164 11.213 7.650 974 HE21 GLN 129 1HE2 GLN 129 2.640 13.556 7.146 975 HE22 GLN 129 2HE2 GLN 129 3.638 14.950 7.236 976 H GLY 130 H GLY 130 4.061 8.048 8.435 977 HA2 GLY 130 2HA GLY 130 1.881 7.657 10.271 978 HA3 GLY 130 1HA GLY 130 3.436 6.840 10.315 979 H GLY 131 H GLY 131 2.159 10.089 10.725 980 HA2 GLY 131 2HA GLY 131 4.182 10.686 12.734 981 HA3 GLY 131 1HA GLY 131 2.962 11.803 12.128 982 H ALA 132 H ALA 132 2.652 8.620 13.595 983 HA ALA 132 HA ALA 132 1.284 9.753 15.892 984 HB1 ALA 132 1HB ALA 132 0.114 7.617 14.103 985 HB2 ALA 132 2HB ALA 132 -0.486 9.266 14.259 986 HB3 ALA 132 3HB ALA 132 -0.569 8.160 15.633 987 H GLY 133 H GLY 133 1.566 8.494 17.694 988 HA2 GLY 133 2HA GLY 133 2.478 5.796 17.543 989 HA3 GLY 133 1HA GLY 133 3.767 6.917 17.974 990 H SER 134 H SER 134 0.338 6.713 18.805 991 HA SER 134 HA SER 134 1.110 6.616 21.624 992 HB2 SER 134 2HB SER 134 -1.278 8.118 20.506 993 HB3 SER 134 1HB SER 134 -0.691 8.133 22.169 994 HG SER 134 HG SER 134 1.354 8.907 21.039 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -14.319 15.364 -9.342 2 H2 MET 1 2HT MET 1 -13.101 16.392 -9.941 3 H3 MET 1 3HT MET 1 -13.112 15.985 -8.331 4 HA MET 1 HA MET 1 -12.594 13.759 -8.783 5 HB2 MET 1 2HB MET 1 -12.664 14.648 -11.680 6 HB3 MET 1 1HB MET 1 -11.969 13.125 -11.143 7 HG2 MET 1 2HG MET 1 -14.120 12.399 -10.307 8 HG3 MET 1 1HG MET 1 -14.844 13.940 -10.742 9 HE1 MET 1 2HE MET 1 -16.777 12.724 -12.083 10 HE2 MET 1 3HE MET 1 -16.092 11.179 -11.578 11 HE3 MET 1 1HE MET 1 -16.484 11.463 -13.275 12 H GLY 2 H GLY 2 -10.342 13.065 -9.681 13 HA2 GLY 2 2HA GLY 2 -8.167 14.205 -10.256 14 HA3 GLY 2 1HA GLY 2 -8.519 15.188 -8.818 15 H GLU 3 H GLU 3 -7.593 12.133 -10.014 16 HA GLU 3 HA GLU 3 -7.091 10.122 -9.127 17 HB2 GLU 3 2HB GLU 3 -6.970 11.613 -6.465 18 HB3 GLU 3 1HB GLU 3 -6.583 9.914 -6.636 19 HG2 GLU 3 2HG GLU 3 -4.704 10.569 -8.116 20 HG3 GLU 3 1HG GLU 3 -5.085 12.262 -7.773 21 H ASN 4 H ASN 4 -8.012 8.776 -6.955 22 HA ASN 4 HA ASN 4 -10.728 9.438 -6.404 23 HB2 ASN 4 2HB ASN 4 -11.711 7.366 -7.324 24 HB3 ASN 4 1HB ASN 4 -10.952 8.283 -8.601 25 HD21 ASN 4 1HD2 ASN 4 -11.628 5.473 -8.224 26 HD22 ASN 4 2HD2 ASN 4 -10.187 4.543 -8.532 27 H LYS 5 H LYS 5 -8.593 9.416 -4.861 28 HA LYS 5 HA LYS 5 -7.803 6.918 -3.845 29 HB2 LYS 5 2HB LYS 5 -6.609 8.109 -2.086 30 HB3 LYS 5 1HB LYS 5 -6.327 8.845 -3.650 31 HG2 LYS 5 2HG LYS 5 -7.915 10.642 -3.070 32 HG3 LYS 5 1HG LYS 5 -8.165 9.891 -1.494 33 HD2 LYS 5 2HD LYS 5 -5.726 10.145 -1.053 34 HD3 LYS 5 1HD LYS 5 -5.585 10.998 -2.585 35 HE2 LYS 5 2HE LYS 5 -5.701 12.593 -0.771 36 HE3 LYS 5 1HE LYS 5 -7.146 12.713 -1.764 37 HZ1 LYS 5 3HZ LYS 5 -8.393 11.512 -0.101 38 HZ2 LYS 5 1HZ LYS 5 -7.583 12.786 0.637 39 HZ3 LYS 5 2HZ LYS 5 -6.992 11.231 0.808 40 H VAL 6 H VAL 6 -8.941 5.577 -2.789 41 HA VAL 6 HA VAL 6 -11.075 6.385 -1.035 42 HB VAL 6 HB VAL 6 -10.117 3.700 -1.958 43 HG11 VAL 6 1HG1 VAL 6 -12.589 4.388 -0.354 44 HG12 VAL 6 2HG1 VAL 6 -11.184 3.502 0.242 45 HG13 VAL 6 3HG1 VAL 6 -12.209 2.795 -1.007 46 HG21 VAL 6 3HG2 VAL 6 -12.527 5.312 -2.714 47 HG22 VAL 6 1HG2 VAL 6 -12.185 3.669 -3.250 48 HG23 VAL 6 2HG2 VAL 6 -11.109 4.986 -3.716 49 H CYS 7 H CYS 7 -10.635 6.748 0.999 50 HA CYS 7 HA CYS 7 -8.824 5.006 2.467 51 HB2 CYS 7 2HB CYS 7 -8.016 7.046 3.699 52 HB3 CYS 7 1HB CYS 7 -7.503 7.007 2.019 53 HG CYS 7 HG CYS 7 -10.297 8.659 2.078 54 H GLY 8 H GLY 8 -9.312 5.404 4.854 55 HA2 GLY 8 2HA GLY 8 -11.284 4.328 6.018 56 HA3 GLY 8 1HA GLY 8 -10.923 5.931 6.575 57 H LEU 9 H LEU 9 -13.270 3.869 5.295 58 HA LEU 9 HA LEU 9 -15.289 5.785 5.560 59 HB2 LEU 9 2HB LEU 9 -16.173 5.872 3.316 60 HB3 LEU 9 1HB LEU 9 -14.513 6.394 3.257 61 HG LEU 9 HG LEU 9 -14.844 5.157 1.311 62 HD11 LEU 9 1HD1 LEU 9 -12.794 4.552 2.239 63 HD12 LEU 9 2HD1 LEU 9 -13.511 3.087 1.533 64 HD13 LEU 9 3HD1 LEU 9 -13.568 3.375 3.285 65 HD21 LEU 9 3HD2 LEU 9 -16.266 3.128 2.978 66 HD22 LEU 9 1HD2 LEU 9 -15.790 2.834 1.299 67 HD23 LEU 9 2HD2 LEU 9 -16.929 4.132 1.684 68 H THR 10 H THR 10 -17.401 4.841 5.220 69 HA THR 10 HA THR 10 -17.396 1.924 5.276 70 HB THR 10 HB THR 10 -17.284 2.581 7.662 71 HG1 THR 10 1HG THR 10 -19.844 1.672 6.872 72 HG21 THR 10 3HG2 THR 10 -19.106 3.873 8.715 73 HG22 THR 10 1HG2 THR 10 -19.831 4.128 7.126 74 HG23 THR 10 2HG2 THR 10 -18.256 4.828 7.499 75 H ARG 11 H ARG 11 -18.087 4.115 3.547 76 HA ARG 11 HA ARG 11 -20.990 3.846 3.315 77 HB2 ARG 11 2HB ARG 11 -19.138 6.102 2.589 78 HB3 ARG 11 1HB ARG 11 -20.855 6.113 2.230 79 HG2 ARG 11 2HG ARG 11 -21.382 6.172 4.563 80 HG3 ARG 11 1HG ARG 11 -19.699 5.906 4.999 81 HD2 ARG 11 2HD ARG 11 -20.217 8.246 5.274 82 HD3 ARG 11 1HD ARG 11 -19.113 8.046 3.923 83 HE ARG 11 HE ARG 11 -21.953 8.208 3.341 84 HH11 ARG 11 1HH1 ARG 11 -18.768 9.754 3.235 85 HH12 ARG 11 2HH1 ARG 11 -19.274 11.116 2.370 86 HH21 ARG 11 1HH2 ARG 11 -22.677 10.102 2.148 87 HH22 ARG 11 2HH2 ARG 11 -21.584 11.319 1.735 88 H GLY 12 H GLY 12 -21.136 2.235 1.882 89 HA2 GLY 12 2HA GLY 12 -19.586 1.326 -0.204 90 HA3 GLY 12 1HA GLY 12 -21.358 1.292 -0.080 91 H GLN 13 H GLN 13 -22.073 3.716 -0.304 92 HA GLN 13 HA GLN 13 -21.981 4.047 -3.120 93 HB2 GLN 13 2HB GLN 13 -23.481 5.518 -0.940 94 HB3 GLN 13 1HB GLN 13 -23.572 5.960 -2.622 95 HG2 GLN 13 2HG GLN 13 -25.503 4.632 -1.959 96 HG3 GLN 13 1HG GLN 13 -24.562 3.824 -3.191 97 HE21 GLN 13 1HE2 GLN 13 -23.654 3.704 0.259 98 HE22 GLN 13 2HE2 GLN 13 -24.069 2.063 0.484 99 H ASP 14 H ASP 14 -20.333 5.353 -0.470 100 HA ASP 14 HA ASP 14 -19.440 7.777 -1.793 101 HB2 ASP 14 2HB ASP 14 -19.701 7.665 0.709 102 HB3 ASP 14 1HB ASP 14 -18.446 6.463 0.779 103 H ALA 15 H ALA 15 -18.367 4.613 -0.951 104 HA ALA 15 HA ALA 15 -15.723 4.677 -1.826 105 HB1 ALA 15 1HB ALA 15 -17.614 2.338 -1.799 106 HB2 ALA 15 2HB ALA 15 -16.798 2.962 -0.394 107 HB3 ALA 15 3HB ALA 15 -15.848 2.276 -1.725 108 H LYS 16 H LYS 16 -18.686 3.562 -3.470 109 HA LYS 16 HA LYS 16 -17.337 2.865 -5.846 110 HB2 LYS 16 2HB LYS 16 -19.390 2.404 -6.840 111 HB3 LYS 16 1HB LYS 16 -19.650 2.065 -5.140 112 HG2 LYS 16 2HG LYS 16 -20.784 4.208 -4.886 113 HG3 LYS 16 1HG LYS 16 -20.492 4.569 -6.586 114 HD2 LYS 16 2HD LYS 16 -21.709 2.320 -7.016 115 HD3 LYS 16 1HD LYS 16 -22.326 2.536 -5.376 116 HE2 LYS 16 2HE LYS 16 -23.921 3.491 -6.860 117 HE3 LYS 16 1HE LYS 16 -23.075 4.828 -6.076 118 HZ1 LYS 16 3HZ LYS 16 -23.269 5.266 -8.427 119 HZ2 LYS 16 1HZ LYS 16 -22.621 3.779 -8.804 120 HZ3 LYS 16 2HZ LYS 16 -21.630 4.944 -8.151 121 H ALA 17 H ALA 17 -18.426 5.884 -4.655 122 HA ALA 17 HA ALA 17 -18.749 7.283 -7.066 123 HB1 ALA 17 1HB ALA 17 -19.478 8.168 -4.901 124 HB2 ALA 17 2HB ALA 17 -18.404 9.305 -5.724 125 HB3 ALA 17 3HB ALA 17 -17.795 8.321 -4.397 126 H ALA 18 H ALA 18 -15.943 6.243 -5.348 127 HA ALA 18 HA ALA 18 -14.121 7.894 -6.828 128 HB1 ALA 18 1HB ALA 18 -13.632 7.260 -4.539 129 HB2 ALA 18 2HB ALA 18 -12.409 6.564 -5.613 130 HB3 ALA 18 3HB ALA 18 -13.709 5.559 -4.977 131 H TYR 19 H TYR 19 -15.258 4.548 -6.861 132 HA TYR 19 HA TYR 19 -13.623 3.768 -8.992 133 HB2 TYR 19 2HB TYR 19 -14.325 1.877 -8.054 134 HB3 TYR 19 1HB TYR 19 -15.765 2.600 -7.394 135 HD1 TYR 19 2HD TYR 19 -14.207 0.917 -10.258 136 HD2 TYR 19 1HD TYR 19 -17.848 2.317 -8.622 137 HE1 TYR 19 2HE TYR 19 -15.431 -0.348 -11.965 138 HE2 TYR 19 1HE TYR 19 -19.117 1.047 -10.334 139 HH TYR 19 HH TYR 19 -17.581 -1.296 -12.274 140 H ASP 20 H ASP 20 -16.902 5.118 -8.847 141 HA ASP 20 HA ASP 20 -17.490 5.094 -11.560 142 HB2 ASP 20 2HB ASP 20 -18.252 6.992 -9.337 143 HB3 ASP 20 1HB ASP 20 -18.830 7.195 -10.974 144 H ALA 21 H ALA 21 -15.457 7.173 -9.655 145 HA ALA 21 HA ALA 21 -15.155 9.236 -11.566 146 HB1 ALA 21 1HB ALA 21 -13.363 10.070 -10.160 147 HB2 ALA 21 2HB ALA 21 -13.322 8.544 -9.278 148 HB3 ALA 21 3HB ALA 21 -14.743 9.581 -9.176 149 H GLY 22 H GLY 22 -13.539 6.124 -11.257 150 HA2 GLY 22 2HA GLY 22 -12.606 6.237 -13.831 151 HA3 GLY 22 1HA GLY 22 -11.303 6.841 -12.822 152 H ALA 23 H ALA 23 -12.590 4.852 -10.700 153 HA ALA 23 HA ALA 23 -12.174 2.754 -9.893 154 HB1 ALA 23 1HB ALA 23 -12.172 0.861 -11.437 155 HB2 ALA 23 2HB ALA 23 -11.869 1.942 -12.793 156 HB3 ALA 23 3HB ALA 23 -13.406 2.022 -11.936 157 H ILE 24 H ILE 24 -10.109 4.681 -10.601 158 HA ILE 24 HA ILE 24 -7.835 3.494 -11.679 159 HB ILE 24 HB ILE 24 -7.861 5.892 -9.878 160 HG12 ILE 24 2HG1 ILE 24 -8.393 5.762 -12.871 161 HG13 ILE 24 1HG1 ILE 24 -9.634 6.080 -11.663 162 HG21 ILE 24 1HG2 ILE 24 -5.879 6.518 -11.200 163 HG22 ILE 24 2HG2 ILE 24 -6.087 5.062 -12.182 164 HG23 ILE 24 3HG2 ILE 24 -5.677 4.909 -10.483 165 HD11 ILE 24 3HD1 ILE 24 -8.440 8.135 -11.036 166 HD12 ILE 24 1HD1 ILE 24 -8.932 8.118 -12.732 167 HD13 ILE 24 2HD1 ILE 24 -7.252 7.803 -12.299 168 H TYR 25 H TYR 25 -8.154 4.578 -8.337 169 HA TYR 25 HA TYR 25 -7.200 2.192 -7.107 170 HB2 TYR 25 2HB TYR 25 -4.919 2.435 -6.939 171 HB3 TYR 25 1HB TYR 25 -5.120 3.286 -8.463 172 HD1 TYR 25 2HD TYR 25 -4.958 5.741 -8.507 173 HD2 TYR 25 1HD TYR 25 -4.447 3.471 -4.998 174 HE1 TYR 25 2HE TYR 25 -4.008 7.694 -7.401 175 HE2 TYR 25 1HE TYR 25 -3.556 5.265 -3.857 176 HH TYR 25 HH TYR 25 -3.589 8.548 -5.236 177 H GLY 26 H GLY 26 -6.749 2.407 -4.910 178 HA2 GLY 26 2HA GLY 26 -7.811 4.864 -3.766 179 HA3 GLY 26 1HA GLY 26 -8.366 3.285 -3.199 180 H GLY 27 H GLY 27 -6.483 5.728 -2.354 181 HA2 GLY 27 2HA GLY 27 -4.195 4.184 -1.427 182 HA3 GLY 27 1HA GLY 27 -4.356 5.939 -1.382 183 H LEU 28 H LEU 28 -5.130 2.958 0.171 184 HA LEU 28 HA LEU 28 -6.315 4.392 2.405 185 HB2 LEU 28 2HB LEU 28 -7.437 2.237 2.830 186 HB3 LEU 28 1HB LEU 28 -7.926 3.005 1.329 187 HG LEU 28 HG LEU 28 -5.758 1.305 0.729 188 HD11 LEU 28 1HD1 LEU 28 -7.866 -0.112 2.295 189 HD12 LEU 28 2HD1 LEU 28 -6.228 0.231 2.827 190 HD13 LEU 28 3HD1 LEU 28 -6.494 -0.828 1.415 191 HD21 LEU 28 3HD2 LEU 28 -7.518 1.959 -0.768 192 HD22 LEU 28 1HD2 LEU 28 -8.702 1.021 0.154 193 HD23 LEU 28 2HD2 LEU 28 -7.366 0.205 -0.689 194 H ILE 29 H ILE 29 -5.622 3.769 4.354 195 HA ILE 29 HA ILE 29 -3.400 1.925 4.307 196 HB ILE 29 HB ILE 29 -2.488 3.140 6.368 197 HG12 ILE 29 2HG1 ILE 29 -4.027 5.368 4.985 198 HG13 ILE 29 1HG1 ILE 29 -4.370 4.747 6.594 199 HG21 ILE 29 1HG2 ILE 29 -1.063 4.343 4.812 200 HG22 ILE 29 2HG2 ILE 29 -2.305 4.076 3.545 201 HG23 ILE 29 3HG2 ILE 29 -1.541 2.697 4.324 202 HD11 ILE 29 3HD1 ILE 29 -3.152 6.853 6.695 203 HD12 ILE 29 1HD1 ILE 29 -1.845 6.154 5.738 204 HD13 ILE 29 2HD1 ILE 29 -2.184 5.537 7.356 205 H PHE 30 H PHE 30 -2.763 0.840 6.059 206 HA PHE 30 HA PHE 30 -5.177 -0.401 7.164 207 HB2 PHE 30 2HB PHE 30 -2.356 -1.400 7.587 208 HB3 PHE 30 1HB PHE 30 -3.839 -2.269 7.918 209 HD1 PHE 30 1HD PHE 30 -5.143 -3.286 6.045 210 HD2 PHE 30 2HD PHE 30 -1.486 -1.171 5.437 211 HE1 PHE 30 1HE PHE 30 -4.933 -4.241 3.760 212 HE2 PHE 30 2HE PHE 30 -1.284 -2.102 3.231 213 HZ PHE 30 HZ PHE 30 -2.977 -3.620 2.355 214 H VAL 31 H VAL 31 -5.516 1.551 8.535 215 HA VAL 31 HA VAL 31 -4.259 0.917 11.091 216 HB VAL 31 HB VAL 31 -5.346 3.649 10.326 217 HG11 VAL 31 1HG1 VAL 31 -3.889 2.729 12.799 218 HG12 VAL 31 2HG1 VAL 31 -5.616 2.963 12.671 219 HG13 VAL 31 3HG1 VAL 31 -4.529 4.360 12.507 220 HG21 VAL 31 3HG2 VAL 31 -3.010 4.408 10.439 221 HG22 VAL 31 1HG2 VAL 31 -3.225 3.170 9.198 222 HG23 VAL 31 2HG2 VAL 31 -2.487 2.751 10.744 223 H ALA 32 H ALA 32 -5.500 0.030 12.367 224 HA ALA 32 HA ALA 32 -8.009 -0.861 11.804 225 HB1 ALA 32 1HB ALA 32 -6.793 -0.581 14.525 226 HB2 ALA 32 2HB ALA 32 -6.474 -1.888 13.385 227 HB3 ALA 32 3HB ALA 32 -8.089 -1.675 14.054 228 H THR 33 H THR 33 -9.582 0.351 11.380 229 HA THR 33 HA THR 33 -11.445 1.504 11.572 230 HB THR 33 HB THR 33 -12.534 1.849 13.802 231 HG1 THR 33 1HG THR 33 -9.967 1.272 14.655 232 HG21 THR 33 3HG2 THR 33 -12.787 -0.233 12.570 233 HG22 THR 33 1HG2 THR 33 -12.719 -0.555 14.307 234 HG23 THR 33 2HG2 THR 33 -11.299 -0.838 13.287 235 H SER 34 H SER 34 -8.816 2.974 11.600 236 HA SER 34 HA SER 34 -9.481 5.535 12.683 237 HB2 SER 34 2HB SER 34 -7.150 4.991 12.469 238 HB3 SER 34 1HB SER 34 -7.341 4.552 10.779 239 HG SER 34 HG SER 34 -6.700 6.908 11.820 240 HA PRO 35 HA PRO 35 -12.257 6.674 9.431 241 HB2 PRO 35 2HB PRO 35 -12.236 9.371 9.657 242 HB3 PRO 35 1HB PRO 35 -13.023 8.316 10.840 243 HG2 PRO 35 2HG PRO 35 -10.320 9.611 10.962 244 HG3 PRO 35 1HG PRO 35 -11.556 9.491 12.228 245 HD2 PRO 35 2HD PRO 35 -9.415 7.840 12.150 246 HD3 PRO 35 1HD PRO 35 -11.004 7.304 12.741 247 H ARG 36 H ARG 36 -9.036 7.258 9.212 248 HA ARG 36 HA ARG 36 -9.304 8.369 6.492 249 HB2 ARG 36 2HB ARG 36 -7.946 9.727 8.086 250 HB3 ARG 36 1HB ARG 36 -6.885 8.347 8.317 251 HG2 ARG 36 2HG ARG 36 -6.340 8.445 5.890 252 HG3 ARG 36 1HG ARG 36 -7.275 9.936 5.786 253 HD2 ARG 36 2HD ARG 36 -4.925 10.460 6.042 254 HD3 ARG 36 1HD ARG 36 -5.814 10.937 7.486 255 HE ARG 36 HE ARG 36 -4.833 8.349 7.840 256 HH11 ARG 36 1HH1 ARG 36 -3.607 11.655 7.589 257 HH12 ARG 36 2HH1 ARG 36 -2.243 11.410 8.573 258 HH21 ARG 36 1HH2 ARG 36 -2.949 7.983 9.254 259 HH22 ARG 36 2HH2 ARG 36 -1.885 9.259 9.555 260 H CYS 37 H CYS 37 -8.984 5.474 8.122 261 HA CYS 37 HA CYS 37 -7.080 4.463 6.149 262 HB2 CYS 37 2HB CYS 37 -7.162 3.709 9.045 263 HB3 CYS 37 1HB CYS 37 -5.936 3.315 7.854 264 HG CYS 37 HG CYS 37 -6.215 6.025 9.759 265 H VAL 38 H VAL 38 -7.794 2.543 5.142 266 HA VAL 38 HA VAL 38 -10.011 1.171 6.456 267 HB VAL 38 HB VAL 38 -9.389 1.759 3.564 268 HG11 VAL 38 1HG1 VAL 38 -9.200 -0.707 3.728 269 HG12 VAL 38 2HG1 VAL 38 -10.580 -0.180 2.766 270 HG13 VAL 38 3HG1 VAL 38 -10.820 -0.764 4.414 271 HG21 VAL 38 3HG2 VAL 38 -11.812 1.790 3.427 272 HG22 VAL 38 1HG2 VAL 38 -11.224 2.851 4.717 273 HG23 VAL 38 2HG2 VAL 38 -11.901 1.255 5.100 274 H ASN 39 H ASN 39 -9.739 -0.753 6.992 275 HA ASN 39 HA ASN 39 -7.164 -2.043 6.462 276 HB2 ASN 39 2HB ASN 39 -7.490 -3.131 8.723 277 HB3 ASN 39 1HB ASN 39 -7.032 -1.445 8.755 278 HD21 ASN 39 1HD2 ASN 39 -9.374 -3.760 9.438 279 HD22 ASN 39 2HD2 ASN 39 -10.431 -2.751 10.333 280 H VAL 40 H VAL 40 -7.408 -4.413 7.227 281 HA VAL 40 HA VAL 40 -8.580 -5.658 5.145 282 HB VAL 40 HB VAL 40 -6.927 -6.755 6.509 283 HG11 VAL 40 1HG1 VAL 40 -7.517 -5.898 8.618 284 HG12 VAL 40 2HG1 VAL 40 -7.391 -7.659 8.716 285 HG13 VAL 40 3HG1 VAL 40 -8.981 -6.877 8.685 286 HG21 VAL 40 3HG2 VAL 40 -8.339 -8.268 5.241 287 HG22 VAL 40 1HG2 VAL 40 -9.488 -8.348 6.575 288 HG23 VAL 40 2HG2 VAL 40 -7.864 -9.013 6.766 289 H GLU 41 H GLU 41 -10.177 -4.745 8.002 290 HA GLU 41 HA GLU 41 -12.513 -6.322 7.841 291 HB2 GLU 41 2HB GLU 41 -11.840 -3.715 9.058 292 HB3 GLU 41 1HB GLU 41 -13.386 -4.507 9.303 293 HG2 GLU 41 2HG GLU 41 -12.176 -6.379 10.370 294 HG3 GLU 41 1HG GLU 41 -10.661 -5.504 10.111 295 H GLN 42 H GLN 42 -12.019 -2.798 7.177 296 HA GLN 42 HA GLN 42 -14.579 -2.446 6.033 297 HB2 GLN 42 2HB GLN 42 -12.044 -0.866 6.008 298 HB3 GLN 42 1HB GLN 42 -13.588 -0.242 5.404 299 HG2 GLN 42 2HG GLN 42 -14.451 -0.098 7.540 300 HG3 GLN 42 1HG GLN 42 -13.299 -1.284 8.197 301 HE21 GLN 42 1HE2 GLN 42 -11.235 -0.622 8.661 302 HE22 GLN 42 2HE2 GLN 42 -10.885 1.056 8.717 303 H ALA 43 H ALA 43 -11.349 -2.989 4.785 304 HA ALA 43 HA ALA 43 -11.884 -2.507 2.117 305 HB1 ALA 43 1HB ALA 43 -9.802 -3.696 1.627 306 HB2 ALA 43 2HB ALA 43 -9.789 -4.305 3.286 307 HB3 ALA 43 3HB ALA 43 -9.636 -2.575 2.981 308 H GLN 44 H GLN 44 -12.612 -5.188 4.095 309 HA GLN 44 HA GLN 44 -12.732 -7.296 2.249 310 HB2 GLN 44 2HB GLN 44 -12.782 -7.173 4.856 311 HB3 GLN 44 1HB GLN 44 -14.530 -7.100 4.627 312 HG2 GLN 44 2HG GLN 44 -14.020 -9.327 5.030 313 HG3 GLN 44 1HG GLN 44 -14.205 -9.238 3.276 314 HE21 GLN 44 1HE2 GLN 44 -11.337 -7.887 4.796 315 HE22 GLN 44 2HE2 GLN 44 -10.266 -9.062 4.408 316 H GLU 45 H GLU 45 -14.982 -4.882 3.454 317 HA GLU 45 HA GLU 45 -17.219 -5.936 1.967 318 HB2 GLU 45 2HB GLU 45 -17.019 -3.440 3.634 319 HB3 GLU 45 1HB GLU 45 -18.499 -4.206 3.064 320 HG2 GLU 45 2HG GLU 45 -17.880 -6.209 4.419 321 HG3 GLU 45 1HG GLU 45 -16.541 -5.277 5.079 322 H VAL 46 H VAL 46 -15.060 -3.140 1.921 323 HA VAL 46 HA VAL 46 -16.492 -1.671 0.000 324 HB VAL 46 HB VAL 46 -14.681 -0.822 1.602 325 HG11 VAL 46 1HG1 VAL 46 -13.023 -2.485 0.729 326 HG12 VAL 46 2HG1 VAL 46 -12.450 -0.847 1.068 327 HG13 VAL 46 3HG1 VAL 46 -12.739 -1.357 -0.605 328 HG21 VAL 46 3HG2 VAL 46 -15.728 0.646 0.008 329 HG22 VAL 46 1HG2 VAL 46 -14.612 0.114 -1.253 330 HG23 VAL 46 2HG2 VAL 46 -14.006 1.013 0.140 331 H MET 47 H MET 47 -14.305 -4.334 -0.365 332 HA MET 47 HA MET 47 -13.632 -3.902 -3.104 333 HB2 MET 47 2HB MET 47 -12.903 -6.189 -3.215 334 HB3 MET 47 1HB MET 47 -12.448 -5.553 -1.639 335 HG2 MET 47 2HG MET 47 -14.289 -6.704 -0.599 336 HG3 MET 47 1HG MET 47 -14.873 -7.247 -2.169 337 HE1 MET 47 3HE MET 47 -11.034 -8.725 -0.139 338 HE2 MET 47 1HE MET 47 -12.062 -7.434 0.471 339 HE3 MET 47 2HE MET 47 -11.062 -7.156 -0.957 340 H ALA 48 H ALA 48 -16.525 -4.812 -1.626 341 HA ALA 48 HA ALA 48 -17.600 -5.971 -4.080 342 HB1 ALA 48 1HB ALA 48 -19.494 -6.611 -2.641 343 HB2 ALA 48 2HB ALA 48 -18.696 -5.810 -1.280 344 HB3 ALA 48 3HB ALA 48 -17.956 -7.226 -2.020 345 H ALA 49 H ALA 49 -17.076 -3.047 -2.863 346 HA ALA 49 HA ALA 49 -19.685 -1.975 -3.654 347 HB1 ALA 49 1HB ALA 49 -19.188 -0.035 -2.267 348 HB2 ALA 49 2HB ALA 49 -17.618 -0.719 -1.850 349 HB3 ALA 49 3HB ALA 49 -19.100 -1.518 -1.319 350 H ALA 50 H ALA 50 -16.070 -1.472 -4.022 351 HA ALA 50 HA ALA 50 -16.707 -0.055 -6.419 352 HB1 ALA 50 1HB ALA 50 -15.128 1.677 -5.779 353 HB2 ALA 50 2HB ALA 50 -14.890 0.887 -4.224 354 HB3 ALA 50 3HB ALA 50 -16.452 1.591 -4.613 355 HA PRO 51 HA PRO 51 -13.347 -3.027 -7.008 356 HB2 PRO 51 2HB PRO 51 -13.755 -3.333 -9.717 357 HB3 PRO 51 1HB PRO 51 -14.517 -4.321 -8.467 358 HG2 PRO 51 2HG PRO 51 -15.664 -2.150 -10.102 359 HG3 PRO 51 1HG PRO 51 -16.465 -3.514 -9.312 360 HD2 PRO 51 2HD PRO 51 -16.442 -0.853 -8.425 361 HD3 PRO 51 1HD PRO 51 -16.944 -2.260 -7.475 362 H LEU 52 H LEU 52 -12.397 -0.919 -6.501 363 HA LEU 52 HA LEU 52 -10.853 0.028 -8.797 364 HB2 LEU 52 2HB LEU 52 -10.239 1.851 -7.037 365 HB3 LEU 52 1HB LEU 52 -11.674 2.102 -7.986 366 HG LEU 52 HG LEU 52 -12.715 0.814 -5.890 367 HD11 LEU 52 1HD1 LEU 52 -11.699 1.490 -3.816 368 HD12 LEU 52 2HD1 LEU 52 -10.325 2.163 -4.695 369 HD13 LEU 52 3HD1 LEU 52 -10.655 0.428 -4.755 370 HD21 LEU 52 3HD2 LEU 52 -13.191 3.010 -4.868 371 HD22 LEU 52 1HD2 LEU 52 -13.542 2.923 -6.585 372 HD23 LEU 52 2HD2 LEU 52 -12.077 3.748 -6.023 373 H GLN 53 H GLN 53 -8.515 0.538 -8.294 374 HA GLN 53 HA GLN 53 -7.271 -1.806 -7.430 375 HB2 GLN 53 2HB GLN 53 -6.677 0.217 -9.042 376 HB3 GLN 53 1HB GLN 53 -5.881 0.786 -7.587 377 HG2 GLN 53 2HG GLN 53 -4.841 -1.465 -7.482 378 HG3 GLN 53 1HG GLN 53 -5.468 -1.614 -9.144 379 HE21 GLN 53 1HE2 GLN 53 -3.136 -0.035 -7.108 380 HE22 GLN 53 2HE2 GLN 53 -2.235 0.704 -8.390 381 H TYR 54 H TYR 54 -6.392 -2.260 -5.360 382 HA TYR 54 HA TYR 54 -6.622 -0.078 -3.431 383 HB2 TYR 54 2HB TYR 54 -6.485 -3.050 -2.907 384 HB3 TYR 54 1HB TYR 54 -6.736 -1.793 -1.704 385 HD1 TYR 54 1HD TYR 54 -8.848 -0.292 -2.093 386 HD2 TYR 54 2HD TYR 54 -8.298 -4.140 -3.800 387 HE1 TYR 54 1HE TYR 54 -11.266 -0.486 -2.420 388 HE2 TYR 54 2HE TYR 54 -10.721 -4.335 -4.150 389 HH TYR 54 HH TYR 54 -12.817 -1.773 -3.991 390 H VAL 55 H VAL 55 -4.908 0.480 -2.177 391 HA VAL 55 HA VAL 55 -2.462 -1.025 -2.517 392 HB VAL 55 HB VAL 55 -2.256 0.833 -4.176 393 HG11 VAL 55 1HG1 VAL 55 -3.722 2.466 -3.144 394 HG12 VAL 55 2HG1 VAL 55 -2.130 3.155 -3.464 395 HG13 VAL 55 3HG1 VAL 55 -2.570 2.675 -1.824 396 HG21 VAL 55 3HG2 VAL 55 -0.475 1.264 -1.784 397 HG22 VAL 55 1HG2 VAL 55 -0.118 1.748 -3.438 398 HG23 VAL 55 2HG2 VAL 55 -0.232 0.031 -3.008 399 H GLY 56 H GLY 56 -1.340 -1.232 -0.878 400 HA2 GLY 56 2HA GLY 56 -2.346 0.003 1.662 401 HA3 GLY 56 1HA GLY 56 -1.592 -1.624 1.436 402 H VAL 57 H VAL 57 -1.199 1.276 2.662 403 HA VAL 57 HA VAL 57 1.693 1.265 2.142 404 HB VAL 57 HB VAL 57 0.156 3.576 3.310 405 HG11 VAL 57 1HG1 VAL 57 2.070 4.926 2.616 406 HG12 VAL 57 2HG1 VAL 57 2.875 3.462 2.060 407 HG13 VAL 57 3HG1 VAL 57 2.485 3.660 3.769 408 HG21 VAL 57 3HG2 VAL 57 0.731 3.117 0.378 409 HG22 VAL 57 1HG2 VAL 57 0.241 4.674 1.061 410 HG23 VAL 57 2HG2 VAL 57 -0.835 3.286 1.154 411 H PHE 58 H PHE 58 2.863 0.534 3.846 412 HA PHE 58 HA PHE 58 2.460 1.475 6.428 413 HB2 PHE 58 2HB PHE 58 1.694 -0.475 7.670 414 HB3 PHE 58 1HB PHE 58 0.489 -0.041 6.477 415 HD1 PHE 58 2HD PHE 58 1.139 -1.426 4.089 416 HD2 PHE 58 1HD PHE 58 1.778 -2.678 8.097 417 HE1 PHE 58 2HE PHE 58 1.076 -3.779 3.365 418 HE2 PHE 58 1HE PHE 58 1.712 -5.021 7.380 419 HZ PHE 58 HZ PHE 58 1.361 -5.577 5.012 420 H ARG 59 H ARG 59 3.985 0.690 7.911 421 HA ARG 59 HA ARG 59 6.291 -0.322 6.521 422 HB2 ARG 59 2HB ARG 59 7.514 0.141 8.671 423 HB3 ARG 59 1HB ARG 59 6.793 1.552 7.927 424 HG2 ARG 59 2HG ARG 59 4.922 1.384 9.548 425 HG3 ARG 59 1HG ARG 59 5.779 0.053 10.338 426 HD2 ARG 59 2HD ARG 59 6.202 2.186 11.462 427 HD3 ARG 59 1HD ARG 59 7.679 1.517 10.760 428 HE ARG 59 HE ARG 59 6.115 3.564 9.336 429 HH11 ARG 59 1HH1 ARG 59 9.178 2.605 10.840 430 HH12 ARG 59 2HH1 ARG 59 10.085 3.811 10.072 431 HH21 ARG 59 1HH2 ARG 59 7.337 5.208 8.337 432 HH22 ARG 59 2HH2 ARG 59 9.013 5.355 8.602 433 H ASN 60 H ASN 60 6.491 -2.301 6.276 434 HA ASN 60 HA ASN 60 5.133 -4.059 8.059 435 HB2 ASN 60 2HB ASN 60 5.119 -5.639 6.145 436 HB3 ASN 60 1HB ASN 60 4.201 -4.168 5.869 437 HD21 ASN 60 1HD2 ASN 60 5.003 -2.643 4.351 438 HD22 ASN 60 2HD2 ASN 60 6.163 -3.114 3.175 439 H HIS 61 H HIS 61 6.180 -5.067 9.173 440 HA HIS 61 HA HIS 61 9.038 -5.663 8.828 441 HB2 HIS 61 2HB HIS 61 7.269 -6.205 11.231 442 HB3 HIS 61 1HB HIS 61 9.014 -6.345 11.174 443 HD1 HIS 61 1HD HIS 61 6.270 -3.880 11.610 444 HD2 HIS 61 2HD HIS 61 10.406 -3.891 11.239 445 HE1 HIS 61 1HE HIS 61 7.047 -1.589 12.342 446 H ASP 62 H ASP 62 5.857 -7.156 9.155 447 HA ASP 62 HA ASP 62 7.081 -9.787 8.967 448 HB2 ASP 62 2HB ASP 62 5.281 -9.175 10.707 449 HB3 ASP 62 1HB ASP 62 4.191 -9.257 9.317 450 H ILE 63 H ILE 63 7.352 -10.421 7.018 451 HA ILE 63 HA ILE 63 5.939 -9.436 4.766 452 HB ILE 63 HB ILE 63 8.205 -10.183 4.465 453 HG12 ILE 63 2HG1 ILE 63 6.392 -12.130 3.073 454 HG13 ILE 63 1HG1 ILE 63 6.565 -10.438 2.625 455 HG21 ILE 63 1HG2 ILE 63 8.363 -11.864 6.179 456 HG22 ILE 63 2HG2 ILE 63 8.841 -12.565 4.629 457 HG23 ILE 63 3HG2 ILE 63 7.242 -12.905 5.306 458 HD11 ILE 63 3HD1 ILE 63 7.918 -11.918 1.193 459 HD12 ILE 63 1HD1 ILE 63 8.752 -12.519 2.620 460 HD13 ILE 63 2HD1 ILE 63 8.947 -10.838 2.123 461 H ALA 64 H ALA 64 5.387 -12.191 6.800 462 HA ALA 64 HA ALA 64 3.638 -13.489 4.946 463 HB1 ALA 64 1HB ALA 64 3.085 -14.984 6.813 464 HB2 ALA 64 2HB ALA 64 3.918 -13.904 7.930 465 HB3 ALA 64 3HB ALA 64 4.830 -14.753 6.685 466 H ASP 65 H ASP 65 3.355 -10.886 7.052 467 HA ASP 65 HA ASP 65 0.461 -11.056 7.347 468 HB2 ASP 65 2HB ASP 65 1.632 -10.063 9.198 469 HB3 ASP 65 1HB ASP 65 2.488 -8.971 8.125 470 H VAL 66 H VAL 66 2.860 -9.449 5.455 471 HA VAL 66 HA VAL 66 1.190 -7.667 4.036 472 HB VAL 66 HB VAL 66 3.717 -9.027 3.040 473 HG11 VAL 66 1HG1 VAL 66 2.405 -6.449 2.193 474 HG12 VAL 66 2HG1 VAL 66 2.457 -7.944 1.265 475 HG13 VAL 66 3HG1 VAL 66 3.949 -7.056 1.588 476 HG21 VAL 66 3HG2 VAL 66 4.126 -7.911 5.157 477 HG22 VAL 66 1HG2 VAL 66 3.427 -6.423 4.523 478 HG23 VAL 66 2HG2 VAL 66 4.920 -7.057 3.834 479 H VAL 67 H VAL 67 2.295 -10.954 3.519 480 HA VAL 67 HA VAL 67 1.071 -11.477 1.034 481 HB VAL 67 HB VAL 67 1.503 -13.471 3.287 482 HG11 VAL 67 1HG1 VAL 67 1.185 -13.924 0.318 483 HG12 VAL 67 2HG1 VAL 67 0.007 -14.337 1.564 484 HG13 VAL 67 3HG1 VAL 67 1.564 -15.165 1.511 485 HG21 VAL 67 3HG2 VAL 67 3.598 -14.011 2.200 486 HG22 VAL 67 1HG2 VAL 67 3.564 -12.319 2.691 487 HG23 VAL 67 2HG2 VAL 67 3.316 -12.751 0.998 488 H ASP 68 H ASP 68 -0.068 -11.837 4.313 489 HA ASP 68 HA ASP 68 -2.558 -12.991 3.837 490 HB2 ASP 68 2HB ASP 68 -1.639 -12.898 6.079 491 HB3 ASP 68 1HB ASP 68 -1.660 -11.140 6.050 492 H LYS 69 H LYS 69 -1.870 -9.554 4.442 493 HA LYS 69 HA LYS 69 -4.510 -8.708 3.920 494 HB2 LYS 69 2HB LYS 69 -2.013 -6.993 3.687 495 HB3 LYS 69 1HB LYS 69 -3.653 -6.446 3.912 496 HG2 LYS 69 2HG LYS 69 -2.097 -8.068 5.921 497 HG3 LYS 69 1HG LYS 69 -2.405 -6.324 5.974 498 HD2 LYS 69 2HD LYS 69 -4.766 -6.688 6.174 499 HD3 LYS 69 1HD LYS 69 -4.553 -8.422 5.919 500 HE2 LYS 69 2HE LYS 69 -3.417 -6.897 8.247 501 HE3 LYS 69 1HE LYS 69 -4.939 -7.785 8.290 502 HZ1 LYS 69 3HZ LYS 69 -3.538 -9.791 7.585 503 HZ2 LYS 69 1HZ LYS 69 -3.342 -9.236 9.167 504 HZ3 LYS 69 2HZ LYS 69 -2.180 -8.861 8.065 505 H ALA 70 H ALA 70 -1.687 -8.853 1.812 506 HA ALA 70 HA ALA 70 -2.902 -7.497 -0.331 507 HB1 ALA 70 1HB ALA 70 -1.059 -8.240 -1.640 508 HB2 ALA 70 2HB ALA 70 -0.675 -9.499 -0.464 509 HB3 ALA 70 3HB ALA 70 -0.475 -7.799 -0.034 510 H LYS 71 H LYS 71 -2.984 -10.777 0.712 511 HA LYS 71 HA LYS 71 -4.121 -11.807 -1.730 512 HB2 LYS 71 2HB LYS 71 -2.706 -13.185 -0.324 513 HB3 LYS 71 1HB LYS 71 -3.817 -12.971 1.017 514 HG2 LYS 71 2HG LYS 71 -5.549 -14.130 -0.336 515 HG3 LYS 71 1HG LYS 71 -4.304 -14.478 -1.539 516 HD2 LYS 71 2HD LYS 71 -4.529 -16.386 -0.097 517 HD3 LYS 71 1HD LYS 71 -2.983 -15.591 0.233 518 HE2 LYS 71 2HE LYS 71 -4.026 -16.247 2.313 519 HE3 LYS 71 1HE LYS 71 -3.994 -14.496 2.212 520 HZ1 LYS 71 3HZ LYS 71 -6.122 -15.255 3.028 521 HZ2 LYS 71 1HZ LYS 71 -6.324 -16.262 1.701 522 HZ3 LYS 71 2HZ LYS 71 -6.382 -14.608 1.481 523 H VAL 72 H VAL 72 -5.248 -11.435 1.623 524 HA VAL 72 HA VAL 72 -7.893 -12.268 1.322 525 HB VAL 72 HB VAL 72 -6.896 -10.144 3.247 526 HG11 VAL 72 1HG1 VAL 72 -8.780 -10.806 4.652 527 HG12 VAL 72 2HG1 VAL 72 -9.331 -11.905 3.382 528 HG13 VAL 72 3HG1 VAL 72 -9.311 -10.165 3.098 529 HG21 VAL 72 3HG2 VAL 72 -6.684 -11.960 4.852 530 HG22 VAL 72 1HG2 VAL 72 -5.624 -12.175 3.463 531 HG23 VAL 72 2HG2 VAL 72 -7.108 -13.128 3.587 532 H LEU 73 H LEU 73 -6.890 -8.865 1.540 533 HA LEU 73 HA LEU 73 -9.306 -7.907 0.454 534 HB2 LEU 73 2HB LEU 73 -6.666 -6.478 0.712 535 HB3 LEU 73 1HB LEU 73 -8.193 -5.718 0.329 536 HG LEU 73 HG LEU 73 -7.989 -5.234 2.535 537 HD11 LEU 73 1HD1 LEU 73 -9.577 -6.613 3.785 538 HD12 LEU 73 2HD1 LEU 73 -9.445 -7.847 2.543 539 HD13 LEU 73 3HD1 LEU 73 -10.112 -6.269 2.142 540 HD21 LEU 73 3HD2 LEU 73 -5.957 -6.549 2.945 541 HD22 LEU 73 1HD2 LEU 73 -6.931 -8.001 3.109 542 HD23 LEU 73 2HD2 LEU 73 -7.093 -6.692 4.280 543 H SER 74 H SER 74 -6.570 -9.197 -0.991 544 HA SER 74 HA SER 74 -5.819 -9.443 -3.049 545 HB2 SER 74 2HB SER 74 -8.652 -8.770 -3.918 546 HB3 SER 74 1HB SER 74 -7.467 -9.701 -4.841 547 HG SER 74 HG SER 74 -7.560 -10.903 -2.560 548 H LEU 75 H LEU 75 -4.611 -7.595 -2.504 549 HA LEU 75 HA LEU 75 -5.342 -4.972 -3.425 550 HB2 LEU 75 2HB LEU 75 -2.732 -5.996 -2.333 551 HB3 LEU 75 1HB LEU 75 -3.171 -4.313 -2.542 552 HG LEU 75 HG LEU 75 -4.463 -6.254 -0.630 553 HD11 LEU 75 1HD1 LEU 75 -2.204 -5.536 0.009 554 HD12 LEU 75 2HD1 LEU 75 -3.471 -4.984 1.092 555 HD13 LEU 75 3HD1 LEU 75 -2.747 -3.850 -0.056 556 HD21 LEU 75 3HD2 LEU 75 -5.655 -4.264 0.210 557 HD22 LEU 75 1HD2 LEU 75 -6.076 -4.699 -1.451 558 HD23 LEU 75 2HD2 LEU 75 -4.999 -3.346 -1.157 559 H ALA 76 H ALA 76 -3.211 -3.844 -4.440 560 HA ALA 76 HA ALA 76 -2.540 -5.399 -6.803 561 HB1 ALA 76 1HB ALA 76 -4.310 -3.802 -7.374 562 HB2 ALA 76 2HB ALA 76 -2.779 -3.400 -8.155 563 HB3 ALA 76 3HB ALA 76 -3.306 -2.502 -6.733 564 H ALA 77 H ALA 77 -1.825 -2.514 -4.813 565 HA ALA 77 HA ALA 77 0.919 -3.474 -4.943 566 HB1 ALA 77 1HB ALA 77 1.811 -1.236 -5.110 567 HB2 ALA 77 2HB ALA 77 0.200 -0.551 -5.073 568 HB3 ALA 77 3HB ALA 77 0.714 -1.559 -6.439 569 H VAL 78 H VAL 78 2.198 -2.958 -3.265 570 HA VAL 78 HA VAL 78 0.956 -1.891 -0.842 571 HB VAL 78 HB VAL 78 0.878 -4.283 -0.542 572 HG11 VAL 78 1HG1 VAL 78 3.103 -5.594 -0.563 573 HG12 VAL 78 2HG1 VAL 78 3.781 -4.126 -1.343 574 HG13 VAL 78 3HG1 VAL 78 2.516 -5.028 -2.133 575 HG21 VAL 78 3HG2 VAL 78 1.474 -2.990 1.426 576 HG22 VAL 78 1HG2 VAL 78 3.181 -3.111 1.009 577 HG23 VAL 78 2HG2 VAL 78 2.288 -4.559 1.471 578 H GLN 79 H GLN 79 2.369 -0.578 0.369 579 HA GLN 79 HA GLN 79 4.683 0.159 -1.098 580 HB2 GLN 79 2HB GLN 79 3.254 1.377 1.191 581 HB3 GLN 79 1HB GLN 79 4.494 2.112 0.238 582 HG2 GLN 79 2HG GLN 79 1.714 1.345 -0.680 583 HG3 GLN 79 1HG GLN 79 2.408 2.967 -0.550 584 HE21 GLN 79 1HE2 GLN 79 2.563 -0.060 -2.361 585 HE22 GLN 79 2HE2 GLN 79 3.244 0.608 -3.778 586 H LEU 80 H LEU 80 6.581 -0.207 -0.407 587 HA LEU 80 HA LEU 80 6.903 -1.304 2.261 588 HB2 LEU 80 2HB LEU 80 7.288 -2.914 0.550 589 HB3 LEU 80 1HB LEU 80 8.328 -1.816 -0.319 590 HG LEU 80 HG LEU 80 10.063 -2.065 1.362 591 HD11 LEU 80 1HD1 LEU 80 8.606 -2.320 3.324 592 HD12 LEU 80 2HD1 LEU 80 9.815 -3.601 3.212 593 HD13 LEU 80 3HD1 LEU 80 8.140 -3.926 2.760 594 HD21 LEU 80 3HD2 LEU 80 8.849 -4.656 0.499 595 HD22 LEU 80 1HD2 LEU 80 10.512 -4.428 1.023 596 HD23 LEU 80 2HD2 LEU 80 9.925 -3.648 -0.459 597 H HIS 81 H HIS 81 7.918 -0.007 3.596 598 HA HIS 81 HA HIS 81 9.629 2.092 2.587 599 HB2 HIS 81 2HB HIS 81 9.050 1.313 5.493 600 HB3 HIS 81 1HB HIS 81 9.819 2.801 4.958 601 HD1 HIS 81 1HD HIS 81 8.163 4.818 4.330 602 HD2 HIS 81 2HD HIS 81 6.265 1.153 4.982 603 HE1 HIS 81 1HE HIS 81 5.729 5.284 4.386 604 H GLY 82 H GLY 82 11.269 1.127 1.722 605 HA2 GLY 82 2HA GLY 82 12.175 -1.423 2.359 606 HA3 GLY 82 1HA GLY 82 12.972 -0.320 1.261 607 H ASN 83 H ASN 83 13.048 1.354 3.993 608 HA ASN 83 HA ASN 83 15.788 1.315 4.317 609 HB2 ASN 83 2HB ASN 83 13.886 1.947 6.580 610 HB3 ASN 83 1HB ASN 83 15.525 2.527 6.382 611 HD21 ASN 83 1HD2 ASN 83 12.247 2.953 5.574 612 HD22 ASN 83 2HD2 ASN 83 12.409 4.402 4.638 613 H GLU 84 H GLU 84 13.545 -0.917 5.645 614 HA GLU 84 HA GLU 84 14.647 -1.845 7.988 615 HB2 GLU 84 2HB GLU 84 13.316 -3.491 5.852 616 HB3 GLU 84 1HB GLU 84 13.494 -3.936 7.540 617 HG2 GLU 84 2HG GLU 84 11.863 -1.667 6.432 618 HG3 GLU 84 1HG GLU 84 11.258 -3.166 7.133 619 H GLU 85 H GLU 85 15.352 -3.096 4.704 620 HA GLU 85 HA GLU 85 18.022 -3.855 5.225 621 HB2 GLU 85 2HB GLU 85 16.454 -5.508 6.567 622 HB3 GLU 85 1HB GLU 85 16.169 -6.207 4.982 623 HG2 GLU 85 2HG GLU 85 18.894 -5.819 6.123 624 HG3 GLU 85 1HG GLU 85 17.939 -7.248 6.451 625 H GLN 86 H GLN 86 18.860 -4.944 3.128 626 HA GLN 86 HA GLN 86 17.521 -3.631 1.008 627 HB2 GLN 86 2HB GLN 86 20.097 -5.122 1.316 628 HB3 GLN 86 1HB GLN 86 19.509 -4.621 -0.250 629 HG2 GLN 86 2HG GLN 86 21.161 -3.043 0.572 630 HG3 GLN 86 1HG GLN 86 19.585 -2.267 0.507 631 HE21 GLN 86 1HE2 GLN 86 22.040 -3.562 2.568 632 HE22 GLN 86 2HE2 GLN 86 21.530 -2.772 4.021 633 H LEU 87 H LEU 87 18.329 -6.855 1.993 634 HA LEU 87 HA LEU 87 17.497 -8.038 -0.474 635 HB2 LEU 87 2HB LEU 87 18.249 -9.329 2.113 636 HB3 LEU 87 1HB LEU 87 18.088 -10.124 0.551 637 HG LEU 87 HG LEU 87 19.968 -7.866 1.010 638 HD11 LEU 87 1HD1 LEU 87 20.518 -10.830 1.250 639 HD12 LEU 87 2HD1 LEU 87 20.572 -9.611 2.534 640 HD13 LEU 87 3HD1 LEU 87 21.756 -9.562 1.230 641 HD21 LEU 87 3HD2 LEU 87 21.111 -8.793 -0.967 642 HD22 LEU 87 1HD2 LEU 87 19.459 -8.264 -1.282 643 HD23 LEU 87 2HD2 LEU 87 19.816 -9.987 -1.120 644 H TYR 88 H TYR 88 16.117 -7.258 2.472 645 HA TYR 88 HA TYR 88 14.031 -9.088 2.709 646 HB2 TYR 88 2HB TYR 88 14.502 -7.618 4.529 647 HB3 TYR 88 1HB TYR 88 14.246 -6.197 3.533 648 HD1 TYR 88 1HD TYR 88 12.269 -9.275 4.313 649 HD2 TYR 88 2HD TYR 88 12.417 -5.062 4.093 650 HE1 TYR 88 1HE TYR 88 9.924 -9.193 5.056 651 HE2 TYR 88 2HE TYR 88 10.068 -4.916 4.888 652 HH TYR 88 HH TYR 88 8.051 -6.309 5.002 653 H ILE 89 H ILE 89 14.348 -6.217 0.730 654 HA ILE 89 HA ILE 89 11.638 -5.990 -0.058 655 HB ILE 89 HB ILE 89 14.236 -5.013 -1.244 656 HG12 ILE 89 2HG1 ILE 89 13.312 -2.747 -0.741 657 HG13 ILE 89 1HG1 ILE 89 11.891 -3.505 -0.076 658 HG21 ILE 89 1HG2 ILE 89 12.964 -3.742 -2.949 659 HG22 ILE 89 2HG2 ILE 89 11.478 -4.502 -2.336 660 HG23 ILE 89 3HG2 ILE 89 12.691 -5.493 -3.095 661 HD11 ILE 89 3HD1 ILE 89 13.208 -4.489 1.672 662 HD12 ILE 89 1HD1 ILE 89 13.429 -2.740 1.626 663 HD13 ILE 89 2HD1 ILE 89 14.671 -3.803 0.968 664 H ASP 90 H ASP 90 14.369 -7.713 -1.267 665 HA ASP 90 HA ASP 90 13.117 -8.638 -3.664 666 HB2 ASP 90 2HB ASP 90 15.567 -8.400 -3.193 667 HB3 ASP 90 1HB ASP 90 15.439 -9.814 -2.188 668 H THR 91 H THR 91 13.055 -9.513 -0.422 669 HA THR 91 HA THR 91 12.379 -12.289 -0.676 670 HB THR 91 HB THR 91 12.133 -10.316 1.591 671 HG1 THR 91 1HG THR 91 14.305 -10.824 0.825 672 HG21 THR 91 3HG2 THR 91 11.860 -12.231 3.052 673 HG22 THR 91 1HG2 THR 91 11.927 -13.327 1.635 674 HG23 THR 91 2HG2 THR 91 10.640 -12.115 1.777 675 H LEU 92 H LEU 92 10.637 -9.257 -0.011 676 HA LEU 92 HA LEU 92 8.085 -10.071 0.192 677 HB2 LEU 92 2HB LEU 92 9.294 -7.668 -1.041 678 HB3 LEU 92 1HB LEU 92 7.564 -7.889 -1.250 679 HG LEU 92 HG LEU 92 7.867 -6.380 0.561 680 HD11 LEU 92 1HD1 LEU 92 7.517 -9.033 1.751 681 HD12 LEU 92 2HD1 LEU 92 6.212 -8.115 0.959 682 HD13 LEU 92 3HD1 LEU 92 6.962 -7.521 2.465 683 HD21 LEU 92 3HD2 LEU 92 10.196 -6.775 1.044 684 HD22 LEU 92 1HD2 LEU 92 9.792 -8.342 1.743 685 HD23 LEU 92 2HD2 LEU 92 9.222 -6.869 2.514 686 H ARG 93 H ARG 93 9.879 -9.561 -2.781 687 HA ARG 93 HA ARG 93 7.881 -9.933 -4.635 688 HB2 ARG 93 2HB ARG 93 10.799 -10.300 -4.722 689 HB3 ARG 93 1HB ARG 93 9.883 -11.047 -6.023 690 HG2 ARG 93 2HG ARG 93 10.621 -8.855 -6.641 691 HG3 ARG 93 1HG ARG 93 8.864 -8.916 -6.523 692 HD2 ARG 93 2HD ARG 93 9.367 -8.120 -4.051 693 HD3 ARG 93 1HD ARG 93 10.842 -7.546 -4.794 694 HE ARG 93 HE ARG 93 8.581 -6.927 -6.347 695 HH11 ARG 93 1HH1 ARG 93 10.491 -5.857 -3.644 696 HH12 ARG 93 2HH1 ARG 93 9.990 -4.232 -3.719 697 HH21 ARG 93 1HH2 ARG 93 7.799 -4.791 -6.487 698 HH22 ARG 93 2HH2 ARG 93 8.319 -3.621 -5.393 699 H GLU 94 H GLU 94 9.364 -12.359 -2.690 700 HA GLU 94 HA GLU 94 8.738 -14.533 -4.504 701 HB2 GLU 94 2HB GLU 94 9.765 -14.680 -1.689 702 HB3 GLU 94 1HB GLU 94 9.851 -15.933 -2.923 703 HG2 GLU 94 2HG GLU 94 11.345 -14.512 -4.241 704 HG3 GLU 94 1HG GLU 94 11.270 -13.295 -2.969 705 H ALA 95 H ALA 95 7.657 -13.229 -1.439 706 HA ALA 95 HA ALA 95 5.739 -15.371 -1.173 707 HB1 ALA 95 1HB ALA 95 7.008 -14.584 0.800 708 HB2 ALA 95 2HB ALA 95 5.262 -14.543 1.021 709 HB3 ALA 95 3HB ALA 95 6.143 -13.048 0.689 710 H LEU 96 H LEU 96 5.804 -12.349 -2.382 711 HA LEU 96 HA LEU 96 2.870 -12.115 -2.363 712 HB2 LEU 96 2HB LEU 96 5.028 -10.125 -3.011 713 HB3 LEU 96 1HB LEU 96 3.385 -9.876 -3.561 714 HG LEU 96 HG LEU 96 3.757 -8.568 -1.578 715 HD11 LEU 96 1HD1 LEU 96 2.032 -10.941 -0.933 716 HD12 LEU 96 2HD1 LEU 96 1.559 -9.516 -1.852 717 HD13 LEU 96 3HD1 LEU 96 1.973 -9.366 -0.148 718 HD21 LEU 96 3HD2 LEU 96 4.484 -11.141 -0.174 719 HD22 LEU 96 1HD2 LEU 96 4.288 -9.570 0.601 720 HD23 LEU 96 2HD2 LEU 96 5.590 -9.827 -0.560 721 HA PRO 97 HA PRO 97 2.690 -13.907 -6.324 722 HB2 PRO 97 2HB PRO 97 0.082 -13.346 -6.828 723 HB3 PRO 97 1HB PRO 97 0.567 -14.631 -5.714 724 HG2 PRO 97 2HG PRO 97 -0.299 -11.835 -5.117 725 HG3 PRO 97 1HG PRO 97 -0.780 -13.343 -4.313 726 HD2 PRO 97 2HD PRO 97 1.075 -11.695 -3.276 727 HD3 PRO 97 1HD PRO 97 1.178 -13.457 -3.088 728 H ALA 98 H ALA 98 2.096 -13.192 -8.498 729 HA ALA 98 HA ALA 98 3.256 -10.652 -9.070 730 HB1 ALA 98 1HB ALA 98 2.931 -11.253 -11.406 731 HB2 ALA 98 2HB ALA 98 1.868 -12.576 -10.931 732 HB3 ALA 98 3HB ALA 98 3.575 -12.619 -10.498 733 H HIS 99 H HIS 99 0.305 -11.285 -8.025 734 HA HIS 99 HA HIS 99 -1.290 -9.505 -9.677 735 HB2 HIS 99 2HB HIS 99 -1.928 -10.720 -6.984 736 HB3 HIS 99 1HB HIS 99 -3.095 -9.983 -8.084 737 HD1 HIS 99 1HD HIS 99 -2.832 -13.045 -6.836 738 HD2 HIS 99 2HD HIS 99 -2.182 -11.646 -10.649 739 HE1 HIS 99 1HE HIS 99 -3.083 -15.041 -8.313 740 H VAL 100 H VAL 100 0.666 -9.446 -6.690 741 HA VAL 100 HA VAL 100 -0.333 -6.844 -6.055 742 HB VAL 100 HB VAL 100 1.159 -8.939 -4.492 743 HG11 VAL 100 1HG1 VAL 100 1.716 -6.740 -3.870 744 HG12 VAL 100 2HG1 VAL 100 0.765 -7.505 -2.580 745 HG13 VAL 100 3HG1 VAL 100 0.018 -6.300 -3.668 746 HG21 VAL 100 3HG2 VAL 100 -1.183 -9.520 -5.003 747 HG22 VAL 100 1HG2 VAL 100 -1.702 -8.031 -4.225 748 HG23 VAL 100 2HG2 VAL 100 -0.902 -9.309 -3.280 749 H ALA 101 H ALA 101 1.061 -5.268 -6.246 750 HA ALA 101 HA ALA 101 3.830 -5.856 -7.015 751 HB1 ALA 101 1HB ALA 101 2.148 -3.382 -7.448 752 HB2 ALA 101 2HB ALA 101 2.518 -4.598 -8.668 753 HB3 ALA 101 3HB ALA 101 3.810 -3.603 -7.996 754 H ILE 102 H ILE 102 5.394 -4.301 -6.142 755 HA ILE 102 HA ILE 102 4.560 -3.283 -3.537 756 HB ILE 102 HB ILE 102 7.159 -4.556 -4.288 757 HG12 ILE 102 2HG1 ILE 102 6.705 -5.821 -1.989 758 HG13 ILE 102 1HG1 ILE 102 5.035 -5.422 -2.351 759 HG21 ILE 102 1HG2 ILE 102 6.585 -2.776 -2.029 760 HG22 ILE 102 2HG2 ILE 102 7.788 -2.738 -3.331 761 HG23 ILE 102 3HG2 ILE 102 7.980 -3.918 -1.997 762 HD11 ILE 102 3HD1 ILE 102 5.275 -6.604 -4.535 763 HD12 ILE 102 1HD1 ILE 102 5.519 -7.656 -3.140 764 HD13 ILE 102 2HD1 ILE 102 6.902 -7.097 -4.042 765 H TRP 103 H TRP 103 4.961 -1.233 -3.336 766 HA TRP 103 HA TRP 103 6.849 -0.047 -5.304 767 HB2 TRP 103 2HB TRP 103 4.667 1.486 -3.897 768 HB3 TRP 103 1HB TRP 103 5.756 2.067 -5.136 769 HD1 TRP 103 HD TRP 103 5.191 -0.841 -6.785 770 HE1 TRP 103 1HE TRP 103 3.108 -0.851 -8.299 771 HE3 TRP 103 3HE TRP 103 2.726 3.044 -4.725 772 HZ2 TRP 103 2HZ TRP 103 0.736 0.637 -8.571 773 HZ3 TRP 103 3HZ TRP 103 0.547 3.736 -5.658 774 HH2 TRP 103 HH TRP 103 -0.429 2.556 -7.536 775 H LYS 104 H LYS 104 7.868 1.851 -4.632 776 HA LYS 104 HA LYS 104 9.205 1.339 -2.092 777 HB2 LYS 104 2HB LYS 104 10.623 1.346 -4.011 778 HB3 LYS 104 1HB LYS 104 9.905 2.819 -4.618 779 HG2 LYS 104 2HG LYS 104 10.918 3.998 -2.621 780 HG3 LYS 104 1HG LYS 104 11.808 2.501 -2.302 781 HD2 LYS 104 2HD LYS 104 12.871 2.588 -4.441 782 HD3 LYS 104 1HD LYS 104 11.853 3.927 -4.959 783 HE2 LYS 104 2HE LYS 104 14.008 4.804 -4.449 784 HE3 LYS 104 1HE LYS 104 12.913 5.310 -3.170 785 HZ1 LYS 104 3HZ LYS 104 13.891 3.782 -1.679 786 HZ2 LYS 104 1HZ LYS 104 15.144 4.526 -2.512 787 HZ3 LYS 104 2HZ LYS 104 14.721 2.979 -2.961 788 H ALA 105 H ALA 105 8.161 2.480 -0.528 789 HA ALA 105 HA ALA 105 7.126 5.087 -0.974 790 HB1 ALA 105 1HB ALA 105 6.259 3.685 0.844 791 HB2 ALA 105 2HB ALA 105 6.978 5.153 1.508 792 HB3 ALA 105 3HB ALA 105 7.860 3.630 1.579 793 H LEU 106 H LEU 106 8.525 6.529 -1.636 794 HA LEU 106 HA LEU 106 11.295 6.397 -1.055 795 HB2 LEU 106 2HB LEU 106 10.447 7.196 -3.193 796 HB3 LEU 106 1HB LEU 106 9.609 8.502 -2.405 797 HG LEU 106 HG LEU 106 11.888 9.379 -1.690 798 HD11 LEU 106 1HD1 LEU 106 13.805 8.689 -2.999 799 HD12 LEU 106 2HD1 LEU 106 12.820 7.486 -3.813 800 HD13 LEU 106 3HD1 LEU 106 13.161 7.320 -2.081 801 HD21 LEU 106 3HD2 LEU 106 11.230 9.265 -4.631 802 HD22 LEU 106 1HD2 LEU 106 12.303 10.435 -3.863 803 HD23 LEU 106 2HD2 LEU 106 10.584 10.415 -3.459 804 H SER 107 H SER 107 11.453 6.562 1.173 805 HA SER 107 HA SER 107 10.685 8.877 2.615 806 HB2 SER 107 2HB SER 107 13.061 7.027 3.072 807 HB3 SER 107 1HB SER 107 12.298 8.067 4.272 808 HG SER 107 HG SER 107 10.302 6.659 3.639 809 H VAL 108 H VAL 108 11.433 10.855 2.089 810 HA VAL 108 HA VAL 108 13.050 11.269 -0.065 811 HB VAL 108 HB VAL 108 13.204 13.647 0.535 812 HG11 VAL 108 1HG1 VAL 108 10.792 14.111 0.511 813 HG12 VAL 108 2HG1 VAL 108 10.480 12.425 0.921 814 HG13 VAL 108 3HG1 VAL 108 11.243 12.832 -0.616 815 HG21 VAL 108 3HG2 VAL 108 11.801 12.850 3.092 816 HG22 VAL 108 1HG2 VAL 108 12.089 14.502 2.549 817 HG23 VAL 108 2HG2 VAL 108 13.448 13.455 2.965 818 H GLY 109 H GLY 109 14.999 10.996 -0.501 819 HA2 GLY 109 2HA GLY 109 16.958 10.878 1.617 820 HA3 GLY 109 1HA GLY 109 17.179 10.345 -0.051 821 H GLU 110 H GLU 110 18.482 12.290 1.831 822 HA GLU 110 HA GLU 110 18.196 14.850 0.643 823 HB2 GLU 110 2HB GLU 110 20.244 13.675 2.522 824 HB3 GLU 110 1HB GLU 110 20.184 15.376 2.069 825 HG2 GLU 110 2HG GLU 110 18.127 15.714 3.119 826 HG3 GLU 110 1HG GLU 110 17.794 13.995 3.223 827 H THR 111 H THR 111 20.300 12.118 0.233 828 HA THR 111 HA THR 111 21.119 13.191 -2.337 829 HB THR 111 HB THR 111 23.099 11.847 -0.459 830 HG1 THR 111 1HG THR 111 23.120 13.707 0.500 831 HG21 THR 111 3HG2 THR 111 24.764 12.692 -2.045 832 HG22 THR 111 1HG2 THR 111 23.489 13.463 -2.992 833 HG23 THR 111 2HG2 THR 111 23.563 11.709 -2.879 834 H LEU 112 H LEU 112 20.089 11.713 -3.564 835 HA LEU 112 HA LEU 112 19.448 9.101 -2.590 836 HB2 LEU 112 2HB LEU 112 18.912 10.439 -5.225 837 HB3 LEU 112 1HB LEU 112 18.348 8.833 -4.818 838 HG LEU 112 HG LEU 112 17.569 11.357 -3.343 839 HD11 LEU 112 1HD1 LEU 112 16.035 9.698 -5.342 840 HD12 LEU 112 2HD1 LEU 112 16.680 11.318 -5.613 841 HD13 LEU 112 3HD1 LEU 112 15.400 11.064 -4.429 842 HD21 LEU 112 3HD2 LEU 112 15.879 9.926 -2.297 843 HD22 LEU 112 1HD2 LEU 112 17.505 9.350 -1.939 844 HD23 LEU 112 2HD2 LEU 112 16.526 8.525 -3.152 845 HA PRO 113 HA PRO 113 22.972 7.086 -4.600 846 HB2 PRO 113 2HB PRO 113 22.001 4.650 -3.348 847 HB3 PRO 113 1HB PRO 113 23.470 5.550 -2.983 848 HG2 PRO 113 2HG PRO 113 21.359 5.364 -1.266 849 HG3 PRO 113 1HG PRO 113 22.477 6.737 -1.295 850 HD2 PRO 113 2HD PRO 113 19.735 6.500 -2.462 851 HD3 PRO 113 1HD PRO 113 20.518 7.860 -1.614 852 H ALA 114 H ALA 114 23.106 5.310 -6.174 853 HA ALA 114 HA ALA 114 20.663 5.041 -7.698 854 HB1 ALA 114 1HB ALA 114 22.065 3.884 -9.338 855 HB2 ALA 114 2HB ALA 114 23.415 3.920 -8.206 856 HB3 ALA 114 3HB ALA 114 22.765 5.427 -8.859 857 H ARG 115 H ARG 115 22.617 3.126 -5.582 858 HA ARG 115 HA ARG 115 20.858 0.851 -6.052 859 HB2 ARG 115 2HB ARG 115 23.607 0.902 -4.804 860 HB3 ARG 115 1HB ARG 115 22.528 -0.486 -4.920 861 HG2 ARG 115 2HG ARG 115 23.596 1.002 -7.317 862 HG3 ARG 115 1HG ARG 115 24.344 -0.444 -6.637 863 HD2 ARG 115 2HD ARG 115 21.516 -0.268 -7.690 864 HD3 ARG 115 1HD ARG 115 22.886 -0.966 -8.549 865 HE ARG 115 HE ARG 115 22.732 -2.234 -6.096 866 HH11 ARG 115 1HH1 ARG 115 20.642 -1.953 -8.949 867 HH12 ARG 115 2HH1 ARG 115 20.003 -3.519 -8.805 868 HH21 ARG 115 1HH2 ARG 115 21.875 -4.397 -5.921 869 HH22 ARG 115 2HH2 ARG 115 20.727 -4.943 -7.069 870 H GLU 116 H GLU 116 19.442 0.566 -4.679 871 HA GLU 116 HA GLU 116 19.901 1.090 -1.849 872 HB2 GLU 116 2HB GLU 116 17.498 1.936 -3.389 873 HB3 GLU 116 1HB GLU 116 17.555 1.921 -1.643 874 HG2 GLU 116 2HG GLU 116 19.291 3.672 -1.737 875 HG3 GLU 116 1HG GLU 116 19.154 3.677 -3.502 876 H PHE 117 H PHE 117 17.094 0.218 -3.811 877 HA PHE 117 HA PHE 117 16.978 -2.448 -2.637 878 HB2 PHE 117 2HB PHE 117 14.650 -0.504 -2.511 879 HB3 PHE 117 1HB PHE 117 14.712 -2.152 -1.888 880 HD1 PHE 117 1HD PHE 117 16.384 -2.638 -0.100 881 HD2 PHE 117 2HD PHE 117 15.225 1.291 -1.143 882 HE1 PHE 117 1HE PHE 117 17.297 -1.792 2.061 883 HE2 PHE 117 2HE PHE 117 16.105 2.153 0.983 884 HZ PHE 117 HZ PHE 117 17.154 0.609 2.585 885 H GLN 118 H GLN 118 17.028 -3.493 -4.515 886 HA GLN 118 HA GLN 118 15.807 -2.344 -6.859 887 HB2 GLN 118 2HB GLN 118 16.750 -4.174 -8.083 888 HB3 GLN 118 1HB GLN 118 17.970 -3.488 -7.019 889 HG2 GLN 118 2HG GLN 118 17.683 -5.319 -5.472 890 HG3 GLN 118 1HG GLN 118 16.381 -5.979 -6.461 891 HE21 GLN 118 1HE2 GLN 118 17.352 -7.860 -6.886 892 HE22 GLN 118 2HE2 GLN 118 18.781 -8.022 -7.851 893 H HIS 119 H HIS 119 14.617 -3.822 -8.328 894 HA HIS 119 HA HIS 119 13.027 -5.122 -8.973 895 HB2 HIS 119 2HB HIS 119 13.415 -6.540 -6.354 896 HB3 HIS 119 1HB HIS 119 12.120 -7.009 -7.450 897 HD1 HIS 119 1HD HIS 119 14.754 -8.816 -6.729 898 HD2 HIS 119 2HD HIS 119 14.033 -6.596 -10.185 899 HE1 HIS 119 1HE HIS 119 16.161 -9.829 -8.531 900 H VAL 120 H VAL 120 12.536 -2.720 -6.999 901 HA VAL 120 HA VAL 120 9.826 -3.195 -6.165 902 HB VAL 120 HB VAL 120 9.573 -0.881 -5.666 903 HG11 VAL 120 1HG1 VAL 120 12.318 -1.843 -4.863 904 HG12 VAL 120 2HG1 VAL 120 10.798 -2.160 -4.027 905 HG13 VAL 120 3HG1 VAL 120 11.452 -0.527 -4.075 906 HG21 VAL 120 3HG2 VAL 120 11.318 0.799 -6.114 907 HG22 VAL 120 1HG2 VAL 120 10.590 0.138 -7.576 908 HG23 VAL 120 2HG2 VAL 120 12.202 -0.397 -7.076 909 H ASP 121 H ASP 121 7.941 -2.147 -6.950 910 HA ASP 121 HA ASP 121 8.030 -2.474 -9.846 911 HB2 ASP 121 2HB ASP 121 5.654 -2.326 -7.995 912 HB3 ASP 121 1HB ASP 121 5.560 -2.591 -9.735 913 H LYS 122 H LYS 122 7.296 -0.017 -7.524 914 HA LYS 122 HA LYS 122 7.655 1.998 -9.528 915 HB2 LYS 122 2HB LYS 122 5.227 1.431 -9.747 916 HB3 LYS 122 1HB LYS 122 5.036 1.785 -8.033 917 HG2 LYS 122 2HG LYS 122 5.522 4.121 -8.436 918 HG3 LYS 122 1HG LYS 122 5.779 3.787 -10.156 919 HD2 LYS 122 2HD LYS 122 3.193 3.384 -8.644 920 HD3 LYS 122 1HD LYS 122 3.562 4.750 -9.694 921 HE2 LYS 122 2HE LYS 122 3.868 3.173 -11.570 922 HE3 LYS 122 1HE LYS 122 3.395 1.849 -10.508 923 HZ1 LYS 122 3HZ LYS 122 1.563 2.563 -11.850 924 HZ2 LYS 122 1HZ LYS 122 1.687 4.146 -11.303 925 HZ3 LYS 122 2HZ LYS 122 1.217 2.921 -10.248 926 H TYR 123 H TYR 123 7.687 4.123 -8.393 927 HA TYR 123 HA TYR 123 8.063 3.848 -5.484 928 HB2 TYR 123 2HB TYR 123 10.006 5.202 -5.453 929 HB3 TYR 123 1HB TYR 123 10.292 4.077 -6.770 930 HD1 TYR 123 2HD TYR 123 9.927 4.879 -9.116 931 HD2 TYR 123 1HD TYR 123 9.976 7.476 -5.772 932 HE1 TYR 123 2HE TYR 123 10.239 6.772 -10.611 933 HE2 TYR 123 1HE TYR 123 10.288 9.375 -7.198 934 HH TYR 123 HH TYR 123 11.018 9.935 -9.453 935 H VAL 124 H VAL 124 7.321 5.454 -4.259 936 HA VAL 124 HA VAL 124 5.995 7.722 -5.535 937 HB VAL 124 HB VAL 124 4.012 7.421 -4.058 938 HG11 VAL 124 1HG1 VAL 124 4.525 4.956 -5.727 939 HG12 VAL 124 2HG1 VAL 124 3.859 6.479 -6.315 940 HG13 VAL 124 3HG1 VAL 124 2.948 5.501 -5.165 941 HG21 VAL 124 3HG2 VAL 124 5.260 4.779 -3.307 942 HG22 VAL 124 1HG2 VAL 124 3.664 5.335 -2.815 943 HG23 VAL 124 2HG2 VAL 124 5.108 6.181 -2.245 944 H LEU 125 H LEU 125 5.457 9.328 -3.651 945 HA LEU 125 HA LEU 125 7.801 9.566 -2.038 946 HB2 LEU 125 2HB LEU 125 6.915 11.601 -1.202 947 HB3 LEU 125 1HB LEU 125 6.417 11.531 -2.872 948 HG LEU 125 HG LEU 125 4.633 10.947 -0.494 949 HD11 LEU 125 1HD1 LEU 125 5.266 13.268 -0.550 950 HD12 LEU 125 2HD1 LEU 125 3.574 13.085 -1.021 951 HD13 LEU 125 3HD1 LEU 125 4.806 13.378 -2.250 952 HD21 LEU 125 3HD2 LEU 125 3.909 11.308 -3.411 953 HD22 LEU 125 1HD2 LEU 125 2.780 11.068 -2.083 954 HD23 LEU 125 2HD2 LEU 125 3.891 9.776 -2.536 955 H ASP 126 H ASP 126 7.950 9.407 0.258 956 HA ASP 126 HA ASP 126 6.522 7.321 1.501 957 HB2 ASP 126 2HB ASP 126 8.778 8.308 2.177 958 HB3 ASP 126 1HB ASP 126 7.893 9.644 2.899 959 H ASN 127 H ASN 127 4.398 7.453 1.677 960 HA ASN 127 HA ASN 127 2.856 9.752 1.560 961 HB2 ASN 127 2HB ASN 127 1.977 7.109 2.721 962 HB3 ASN 127 1HB ASN 127 0.949 8.349 2.010 963 HD21 ASN 127 1HD2 ASN 127 0.925 8.581 -0.327 964 HD22 ASN 127 2HD2 ASN 127 1.613 7.342 -1.290 965 H GLY 128 H GLY 128 2.678 11.309 3.033 966 HA2 GLY 128 2HA GLY 128 1.974 10.645 5.751 967 HA3 GLY 128 1HA GLY 128 3.527 11.450 5.559 968 H GLN 129 H GLN 129 0.335 11.848 4.070 969 HA GLN 129 HA GLN 129 0.662 14.695 4.019 970 HB2 GLN 129 2HB GLN 129 -1.660 12.924 3.247 971 HB3 GLN 129 1HB GLN 129 -1.782 14.673 3.242 972 HG2 GLN 129 2HG GLN 129 -1.367 13.794 1.012 973 HG3 GLN 129 1HG GLN 129 -0.040 14.812 1.553 974 HE21 GLN 129 1HE2 GLN 129 -1.076 11.580 0.899 975 HE22 GLN 129 2HE2 GLN 129 0.494 10.902 0.745 976 H GLY 130 H GLY 130 0.021 16.120 5.456 977 HA2 GLY 130 2HA GLY 130 -1.145 16.969 7.258 978 HA3 GLY 130 1HA GLY 130 -1.965 15.415 7.434 979 H GLY 131 H GLY 131 1.446 16.084 7.184 980 HA2 GLY 131 2HA GLY 131 1.958 15.703 9.967 981 HA3 GLY 131 1HA GLY 131 2.437 14.333 8.970 982 H ALA 132 H ALA 132 2.533 17.786 8.211 983 HA ALA 132 HA ALA 132 5.364 17.953 8.549 984 HB1 ALA 132 1HB ALA 132 4.287 18.067 5.722 985 HB2 ALA 132 2HB ALA 132 5.313 16.796 6.381 986 HB3 ALA 132 3HB ALA 132 5.942 18.438 6.209 987 H GLY 133 H GLY 133 3.695 19.760 6.051 988 HA2 GLY 133 2HA GLY 133 3.833 22.160 7.693 989 HA3 GLY 133 1HA GLY 133 3.385 22.077 5.982 990 H SER 134 H SER 134 1.604 20.086 6.041 991 HA SER 134 HA SER 134 -0.717 21.155 7.310 992 HB2 SER 134 2HB SER 134 -1.724 19.070 6.262 993 HB3 SER 134 1HB SER 134 -0.942 20.158 5.108 994 HG SER 134 HG SER 134 0.623 18.247 6.311 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -9.182 10.366 -16.933 2 H2 MET 1 2HT MET 1 -8.440 9.067 -16.130 3 H3 MET 1 3HT MET 1 -7.546 10.434 -16.514 4 HA MET 1 HA MET 1 -8.799 11.766 -15.040 5 HB2 MET 1 2HB MET 1 -10.897 10.339 -15.281 6 HB3 MET 1 1HB MET 1 -10.143 9.185 -14.192 7 HG2 MET 1 2HG MET 1 -10.102 10.828 -12.421 8 HG3 MET 1 1HG MET 1 -10.752 12.053 -13.508 9 HE1 MET 1 2HE MET 1 -12.719 12.671 -11.908 10 HE2 MET 1 3HE MET 1 -12.076 11.535 -10.723 11 HE3 MET 1 1HE MET 1 -13.786 11.489 -11.153 12 H GLY 2 H GLY 2 -7.836 12.067 -13.014 13 HA2 GLY 2 2HA GLY 2 -5.498 10.417 -12.688 14 HA3 GLY 2 1HA GLY 2 -5.850 11.927 -11.875 15 H GLU 3 H GLU 3 -5.472 11.402 -9.868 16 HA GLU 3 HA GLU 3 -6.150 8.866 -8.743 17 HB2 GLU 3 2HB GLU 3 -5.119 11.366 -7.460 18 HB3 GLU 3 1HB GLU 3 -5.181 9.772 -6.728 19 HG2 GLU 3 2HG GLU 3 -3.537 8.929 -8.187 20 HG3 GLU 3 1HG GLU 3 -3.646 10.348 -9.235 21 H ASN 4 H ASN 4 -7.643 8.436 -7.293 22 HA ASN 4 HA ASN 4 -9.603 10.457 -6.495 23 HB2 ASN 4 2HB ASN 4 -10.172 7.774 -7.865 24 HB3 ASN 4 1HB ASN 4 -11.362 8.630 -6.914 25 HD21 ASN 4 1HD2 ASN 4 -9.375 8.838 -9.845 26 HD22 ASN 4 2HD2 ASN 4 -10.420 9.976 -10.592 27 H LYS 5 H LYS 5 -7.399 9.417 -5.239 28 HA LYS 5 HA LYS 5 -7.688 7.022 -3.866 29 HB2 LYS 5 2HB LYS 5 -5.879 7.706 -2.361 30 HB3 LYS 5 1HB LYS 5 -5.486 8.028 -4.038 31 HG2 LYS 5 2HG LYS 5 -5.787 10.388 -3.700 32 HG3 LYS 5 1HG LYS 5 -6.457 10.121 -2.087 33 HD2 LYS 5 2HD LYS 5 -4.185 10.823 -1.785 34 HD3 LYS 5 1HD LYS 5 -4.229 9.096 -1.465 35 HE2 LYS 5 2HE LYS 5 -2.288 9.546 -2.783 36 HE3 LYS 5 1HE LYS 5 -3.448 8.714 -3.811 37 HZ1 LYS 5 3HZ LYS 5 -2.729 11.590 -3.835 38 HZ2 LYS 5 1HZ LYS 5 -4.096 11.004 -4.628 39 HZ3 LYS 5 2HZ LYS 5 -2.570 10.472 -5.068 40 H VAL 6 H VAL 6 -9.480 6.609 -2.851 41 HA VAL 6 HA VAL 6 -10.449 8.353 -0.816 42 HB VAL 6 HB VAL 6 -12.055 6.462 -0.321 43 HG11 VAL 6 1HG1 VAL 6 -12.718 8.344 -1.703 44 HG12 VAL 6 2HG1 VAL 6 -13.393 6.867 -2.394 45 HG13 VAL 6 3HG1 VAL 6 -11.962 7.608 -3.112 46 HG21 VAL 6 3HG2 VAL 6 -12.323 4.715 -2.051 47 HG22 VAL 6 1HG2 VAL 6 -10.767 4.592 -1.224 48 HG23 VAL 6 2HG2 VAL 6 -10.857 5.290 -2.841 49 H CYS 7 H CYS 7 -9.892 8.383 1.160 50 HA CYS 7 HA CYS 7 -8.165 6.351 2.337 51 HB2 CYS 7 2HB CYS 7 -9.098 9.065 3.335 52 HB3 CYS 7 1HB CYS 7 -7.902 8.038 4.127 53 HG CYS 7 HG CYS 7 -6.558 8.121 1.406 54 H GLY 8 H GLY 8 -8.836 5.981 4.881 55 HA2 GLY 8 2HA GLY 8 -10.728 4.095 4.829 56 HA3 GLY 8 1HA GLY 8 -10.313 5.009 6.267 57 H LEU 9 H LEU 9 -12.762 3.995 4.429 58 HA LEU 9 HA LEU 9 -14.472 6.198 5.166 59 HB2 LEU 9 2HB LEU 9 -13.550 6.459 2.857 60 HB3 LEU 9 1HB LEU 9 -14.301 4.943 2.441 61 HG LEU 9 HG LEU 9 -16.509 5.915 2.735 62 HD11 LEU 9 1HD1 LEU 9 -14.996 8.428 3.475 63 HD12 LEU 9 2HD1 LEU 9 -16.014 7.480 4.558 64 HD13 LEU 9 3HD1 LEU 9 -16.730 8.325 3.185 65 HD21 LEU 9 3HD2 LEU 9 -16.342 7.576 0.908 66 HD22 LEU 9 1HD2 LEU 9 -15.442 6.091 0.589 67 HD23 LEU 9 2HD2 LEU 9 -14.593 7.544 1.096 68 H THR 10 H THR 10 -16.762 5.441 4.861 69 HA THR 10 HA THR 10 -17.012 2.559 5.213 70 HB THR 10 HB THR 10 -16.640 3.352 7.474 71 HG1 THR 10 1HG THR 10 -19.239 2.649 6.779 72 HG21 THR 10 3HG2 THR 10 -18.091 5.054 8.530 73 HG22 THR 10 1HG2 THR 10 -18.867 5.328 6.972 74 HG23 THR 10 2HG2 THR 10 -17.162 5.714 7.183 75 H ARG 11 H ARG 11 -17.743 4.606 3.248 76 HA ARG 11 HA ARG 11 -20.665 4.350 3.321 77 HB2 ARG 11 2HB ARG 11 -19.089 6.654 2.217 78 HB3 ARG 11 1HB ARG 11 -20.835 6.578 2.395 79 HG2 ARG 11 2HG ARG 11 -20.584 6.725 4.797 80 HG3 ARG 11 1HG ARG 11 -18.828 6.692 4.622 81 HD2 ARG 11 2HD ARG 11 -19.029 8.724 3.168 82 HD3 ARG 11 1HD ARG 11 -20.725 8.806 3.649 83 HE ARG 11 HE ARG 11 -19.702 8.816 6.002 84 HH11 ARG 11 1HH1 ARG 11 -18.153 10.363 3.173 85 HH12 ARG 11 2HH1 ARG 11 -17.524 11.635 4.111 86 HH21 ARG 11 1HH2 ARG 11 -18.750 10.517 7.220 87 HH22 ARG 11 2HH2 ARG 11 -17.817 11.705 6.430 88 H GLY 12 H GLY 12 -21.026 2.950 1.753 89 HA2 GLY 12 2HA GLY 12 -19.461 1.894 -0.238 90 HA3 GLY 12 1HA GLY 12 -21.228 2.016 -0.200 91 H GLN 13 H GLN 13 -21.795 4.433 -0.554 92 HA GLN 13 HA GLN 13 -21.334 4.637 -3.369 93 HB2 GLN 13 2HB GLN 13 -23.256 6.079 -1.530 94 HB3 GLN 13 1HB GLN 13 -23.086 6.467 -3.228 95 HG2 GLN 13 2HG GLN 13 -25.005 5.043 -2.874 96 HG3 GLN 13 1HG GLN 13 -23.795 4.222 -3.838 97 HE21 GLN 13 1HE2 GLN 13 -23.560 4.413 -0.267 98 HE22 GLN 13 2HE2 GLN 13 -23.928 2.762 -0.018 99 H ASP 14 H ASP 14 -20.229 6.138 -0.563 100 HA ASP 14 HA ASP 14 -19.247 8.540 -1.869 101 HB2 ASP 14 2HB ASP 14 -19.799 8.263 0.668 102 HB3 ASP 14 1HB ASP 14 -18.299 7.371 0.747 103 H ALA 15 H ALA 15 -18.132 5.407 -0.889 104 HA ALA 15 HA ALA 15 -15.382 5.651 -1.579 105 HB1 ALA 15 1HB ALA 15 -15.387 3.200 -1.325 106 HB2 ALA 15 2HB ALA 15 -17.161 3.236 -1.233 107 HB3 ALA 15 3HB ALA 15 -16.211 3.995 0.021 108 H LYS 16 H LYS 16 -18.276 4.588 -3.270 109 HA LYS 16 HA LYS 16 -16.929 3.465 -5.413 110 HB2 LYS 16 2HB LYS 16 -18.979 3.303 -6.641 111 HB3 LYS 16 1HB LYS 16 -19.321 2.985 -4.964 112 HG2 LYS 16 2HG LYS 16 -21.151 4.239 -5.760 113 HG3 LYS 16 1HG LYS 16 -20.170 5.396 -4.863 114 HD2 LYS 16 2HD LYS 16 -19.269 6.307 -6.885 115 HD3 LYS 16 1HD LYS 16 -20.012 5.039 -7.855 116 HE2 LYS 16 2HE LYS 16 -22.211 5.879 -7.315 117 HE3 LYS 16 1HE LYS 16 -21.514 7.089 -6.237 118 HZ1 LYS 16 3HZ LYS 16 -20.927 6.972 -9.159 119 HZ2 LYS 16 1HZ LYS 16 -20.523 8.189 -8.067 120 HZ3 LYS 16 2HZ LYS 16 -22.136 7.914 -8.485 121 H ALA 17 H ALA 17 -17.335 6.747 -4.722 122 HA ALA 17 HA ALA 17 -17.232 7.944 -7.222 123 HB1 ALA 17 1HB ALA 17 -17.455 9.171 -5.103 124 HB2 ALA 17 2HB ALA 17 -16.195 9.852 -6.133 125 HB3 ALA 17 3HB ALA 17 -15.759 8.845 -4.748 126 H ALA 18 H ALA 18 -14.660 6.314 -5.477 127 HA ALA 18 HA ALA 18 -12.551 7.175 -7.228 128 HB1 ALA 18 1HB ALA 18 -12.701 4.987 -5.174 129 HB2 ALA 18 2HB ALA 18 -12.110 6.621 -4.913 130 HB3 ALA 18 3HB ALA 18 -11.217 5.517 -5.971 131 H TYR 19 H TYR 19 -14.720 4.522 -6.998 132 HA TYR 19 HA TYR 19 -13.435 2.982 -9.061 133 HB2 TYR 19 2HB TYR 19 -14.481 1.445 -7.767 134 HB3 TYR 19 1HB TYR 19 -15.650 2.605 -7.177 135 HD1 TYR 19 2HD TYR 19 -14.827 0.288 -9.964 136 HD2 TYR 19 1HD TYR 19 -17.836 2.651 -8.122 137 HE1 TYR 19 2HE TYR 19 -16.529 -0.756 -11.409 138 HE2 TYR 19 1HE TYR 19 -19.543 1.619 -9.557 139 HH TYR 19 HH TYR 19 -18.954 -1.147 -11.367 140 H ASP 20 H ASP 20 -15.986 5.233 -8.743 141 HA ASP 20 HA ASP 20 -17.335 4.960 -11.192 142 HB2 ASP 20 2HB ASP 20 -17.945 6.404 -9.150 143 HB3 ASP 20 1HB ASP 20 -16.848 7.602 -9.814 144 H ALA 21 H ALA 21 -14.314 6.441 -10.347 145 HA ALA 21 HA ALA 21 -13.763 7.908 -12.667 146 HB1 ALA 21 1HB ALA 21 -12.522 8.098 -10.578 147 HB2 ALA 21 2HB ALA 21 -11.455 7.748 -11.939 148 HB3 ALA 21 3HB ALA 21 -11.898 6.463 -10.808 149 H GLY 22 H GLY 22 -13.806 4.492 -12.058 150 HA2 GLY 22 2HA GLY 22 -14.014 3.248 -14.225 151 HA3 GLY 22 1HA GLY 22 -12.490 4.008 -14.651 152 H ALA 23 H ALA 23 -13.459 2.786 -11.551 153 HA ALA 23 HA ALA 23 -12.503 1.326 -10.062 154 HB1 ALA 23 1HB ALA 23 -12.087 -0.316 -12.566 155 HB2 ALA 23 2HB ALA 23 -13.581 -0.256 -11.631 156 HB3 ALA 23 3HB ALA 23 -12.117 -0.931 -10.914 157 H ILE 24 H ILE 24 -10.777 3.346 -10.976 158 HA ILE 24 HA ILE 24 -8.334 2.368 -11.961 159 HB ILE 24 HB ILE 24 -8.789 4.943 -10.434 160 HG12 ILE 24 2HG1 ILE 24 -8.828 4.398 -13.417 161 HG13 ILE 24 1HG1 ILE 24 -10.238 4.748 -12.427 162 HG21 ILE 24 1HG2 ILE 24 -6.745 5.719 -11.559 163 HG22 ILE 24 2HG2 ILE 24 -6.560 4.140 -12.319 164 HG23 ILE 24 3HG2 ILE 24 -6.413 4.293 -10.572 165 HD11 ILE 24 3HD1 ILE 24 -9.338 6.983 -11.962 166 HD12 ILE 24 1HD1 ILE 24 -9.555 6.698 -13.689 167 HD13 ILE 24 2HD1 ILE 24 -7.944 6.619 -12.978 168 H TYR 25 H TYR 25 -8.881 3.661 -8.736 169 HA TYR 25 HA TYR 25 -7.630 1.583 -7.257 170 HB2 TYR 25 2HB TYR 25 -5.384 2.015 -7.371 171 HB3 TYR 25 1HB TYR 25 -5.788 2.891 -8.816 172 HD1 TYR 25 2HD TYR 25 -5.918 5.331 -8.787 173 HD2 TYR 25 1HD TYR 25 -4.792 3.034 -5.425 174 HE1 TYR 25 2HE TYR 25 -4.977 7.314 -7.781 175 HE2 TYR 25 1HE TYR 25 -3.872 4.899 -4.382 176 HH TYR 25 HH TYR 25 -2.848 7.219 -5.330 177 H GLY 26 H GLY 26 -7.241 2.136 -5.084 178 HA2 GLY 26 2HA GLY 26 -8.591 4.591 -4.188 179 HA3 GLY 26 1HA GLY 26 -8.915 3.021 -3.441 180 H GLY 27 H GLY 27 -7.750 5.293 -2.008 181 HA2 GLY 27 2HA GLY 27 -5.042 4.218 -1.632 182 HA3 GLY 27 1HA GLY 27 -5.285 5.942 -1.813 183 H LEU 28 H LEU 28 -5.922 3.166 0.166 184 HA LEU 28 HA LEU 28 -6.294 4.944 2.380 185 HB2 LEU 28 2HB LEU 28 -7.841 3.212 3.409 186 HB3 LEU 28 1HB LEU 28 -8.498 4.161 2.114 187 HG LEU 28 HG LEU 28 -9.320 1.876 2.063 188 HD11 LEU 28 1HD1 LEU 28 -8.917 1.273 -0.238 189 HD12 LEU 28 2HD1 LEU 28 -7.547 2.368 -0.299 190 HD13 LEU 28 3HD1 LEU 28 -9.175 3.009 -0.054 191 HD21 LEU 28 3HD2 LEU 28 -7.920 -0.051 1.566 192 HD22 LEU 28 1HD2 LEU 28 -7.418 0.718 3.071 193 HD23 LEU 28 2HD2 LEU 28 -6.482 0.965 1.586 194 H ILE 29 H ILE 29 -5.622 4.148 4.332 195 HA ILE 29 HA ILE 29 -3.596 2.090 3.982 196 HB ILE 29 HB ILE 29 -2.487 3.195 6.037 197 HG12 ILE 29 2HG1 ILE 29 -3.852 5.563 4.721 198 HG13 ILE 29 1HG1 ILE 29 -4.174 4.966 6.344 199 HG21 ILE 29 1HG2 ILE 29 -1.525 2.693 4.023 200 HG22 ILE 29 2HG2 ILE 29 -1.012 4.343 4.465 201 HG23 ILE 29 3HG2 ILE 29 -2.227 4.081 3.190 202 HD11 ILE 29 3HD1 ILE 29 -1.583 6.157 5.373 203 HD12 ILE 29 1HD1 ILE 29 -1.886 5.552 7.001 204 HD13 ILE 29 2HD1 ILE 29 -2.778 6.948 6.398 205 H PHE 30 H PHE 30 -2.852 0.949 5.743 206 HA PHE 30 HA PHE 30 -5.198 -0.255 6.963 207 HB2 PHE 30 2HB PHE 30 -2.340 -1.165 7.327 208 HB3 PHE 30 1HB PHE 30 -3.789 -2.070 7.698 209 HD1 PHE 30 1HD PHE 30 -5.273 -2.797 5.704 210 HD2 PHE 30 2HD PHE 30 -1.298 -1.326 5.312 211 HE1 PHE 30 1HE PHE 30 -5.081 -3.883 3.477 212 HE2 PHE 30 2HE PHE 30 -1.109 -2.387 3.129 213 HZ PHE 30 HZ PHE 30 -2.982 -3.656 2.199 214 H VAL 31 H VAL 31 -5.717 1.470 8.501 215 HA VAL 31 HA VAL 31 -4.141 0.967 10.911 216 HB VAL 31 HB VAL 31 -5.773 3.475 10.372 217 HG11 VAL 31 1HG1 VAL 31 -4.054 2.738 12.731 218 HG12 VAL 31 2HG1 VAL 31 -5.815 2.857 12.698 219 HG13 VAL 31 3HG1 VAL 31 -4.828 4.304 12.470 220 HG21 VAL 31 3HG2 VAL 31 -2.776 3.136 10.536 221 HG22 VAL 31 1HG2 VAL 31 -3.631 4.670 10.348 222 HG23 VAL 31 2HG2 VAL 31 -3.704 3.450 9.070 223 H ALA 32 H ALA 32 -5.118 -0.031 12.425 224 HA ALA 32 HA ALA 32 -7.363 -1.482 12.057 225 HB1 ALA 32 1HB ALA 32 -7.251 -2.052 14.387 226 HB2 ALA 32 2HB ALA 32 -6.214 -0.659 14.701 227 HB3 ALA 32 3HB ALA 32 -5.636 -1.981 13.687 228 H THR 33 H THR 33 -9.154 -0.599 11.502 229 HA THR 33 HA THR 33 -11.258 0.074 11.680 230 HB THR 33 HB THR 33 -12.364 0.153 13.925 231 HG1 THR 33 1HG THR 33 -9.770 0.342 14.736 232 HG21 THR 33 3HG2 THR 33 -12.114 -1.935 12.679 233 HG22 THR 33 1HG2 THR 33 -12.007 -2.222 14.419 234 HG23 THR 33 2HG2 THR 33 -10.541 -2.194 13.434 235 H SER 34 H SER 34 -9.122 2.200 11.607 236 HA SER 34 HA SER 34 -10.488 4.391 12.892 237 HB2 SER 34 2HB SER 34 -8.657 5.749 11.828 238 HB3 SER 34 1HB SER 34 -8.093 4.466 12.897 239 HG SER 34 HG SER 34 -8.351 3.568 10.324 240 HA PRO 35 HA PRO 35 -12.954 5.257 9.235 241 HB2 PRO 35 2HB PRO 35 -14.011 7.582 9.981 242 HB3 PRO 35 1HB PRO 35 -14.503 6.062 10.761 243 HG2 PRO 35 2HG PRO 35 -12.576 8.158 11.702 244 HG3 PRO 35 1HG PRO 35 -13.825 7.304 12.626 245 HD2 PRO 35 2HD PRO 35 -11.187 6.606 12.677 246 HD3 PRO 35 1HD PRO 35 -12.503 5.440 12.922 247 H ARG 36 H ARG 36 -10.161 6.326 9.671 248 HA ARG 36 HA ARG 36 -10.243 8.339 7.500 249 HB2 ARG 36 2HB ARG 36 -8.259 8.201 9.781 250 HB3 ARG 36 1HB ARG 36 -8.155 9.312 8.427 251 HG2 ARG 36 2HG ARG 36 -10.358 9.227 10.482 252 HG3 ARG 36 1HG ARG 36 -9.050 10.408 10.420 253 HD2 ARG 36 2HD ARG 36 -11.182 9.992 8.312 254 HD3 ARG 36 1HD ARG 36 -11.103 11.323 9.461 255 HE ARG 36 HE ARG 36 -8.787 11.627 8.319 256 HH11 ARG 36 1HH1 ARG 36 -11.863 10.843 6.691 257 HH12 ARG 36 2HH1 ARG 36 -11.461 11.677 5.267 258 HH21 ARG 36 1HH2 ARG 36 -8.280 12.762 6.349 259 HH22 ARG 36 2HH2 ARG 36 -9.418 12.772 5.067 260 H CYS 37 H CYS 37 -9.324 5.271 8.392 261 HA CYS 37 HA CYS 37 -7.498 4.895 6.222 262 HB2 CYS 37 2HB CYS 37 -6.709 4.457 9.088 263 HB3 CYS 37 1HB CYS 37 -5.742 3.940 7.704 264 HG CYS 37 HG CYS 37 -4.807 6.218 9.246 265 H VAL 38 H VAL 38 -8.208 2.960 5.440 266 HA VAL 38 HA VAL 38 -9.764 1.245 7.257 267 HB VAL 38 HB VAL 38 -10.186 2.203 4.468 268 HG11 VAL 38 1HG1 VAL 38 -11.459 0.223 3.810 269 HG12 VAL 38 2HG1 VAL 38 -10.828 -0.636 5.226 270 HG13 VAL 38 3HG1 VAL 38 -9.733 -0.089 3.962 271 HG21 VAL 38 3HG2 VAL 38 -12.513 1.923 5.092 272 HG22 VAL 38 1HG2 VAL 38 -11.632 2.849 6.310 273 HG23 VAL 38 2HG2 VAL 38 -12.019 1.149 6.596 274 H ASN 39 H ASN 39 -9.382 -0.652 7.496 275 HA ASN 39 HA ASN 39 -6.984 -1.792 6.258 276 HB2 ASN 39 2HB ASN 39 -6.972 -3.341 8.232 277 HB3 ASN 39 1HB ASN 39 -6.631 -1.672 8.626 278 HD21 ASN 39 1HD2 ASN 39 -8.748 -4.279 9.056 279 HD22 ASN 39 2HD2 ASN 39 -9.773 -3.484 10.188 280 H VAL 40 H VAL 40 -7.044 -4.150 6.292 281 HA VAL 40 HA VAL 40 -8.518 -5.009 4.213 282 HB VAL 40 HB VAL 40 -6.562 -6.164 5.002 283 HG11 VAL 40 1HG1 VAL 40 -8.189 -7.039 7.371 284 HG12 VAL 40 2HG1 VAL 40 -6.812 -5.933 7.378 285 HG13 VAL 40 3HG1 VAL 40 -6.577 -7.630 6.964 286 HG21 VAL 40 3HG2 VAL 40 -8.067 -7.487 3.640 287 HG22 VAL 40 1HG2 VAL 40 -8.951 -7.983 5.080 288 HG23 VAL 40 2HG2 VAL 40 -7.281 -8.498 4.851 289 H GLU 41 H GLU 41 -9.612 -5.003 7.520 290 HA GLU 41 HA GLU 41 -11.758 -6.801 7.278 291 HB2 GLU 41 2HB GLU 41 -11.144 -4.534 9.069 292 HB3 GLU 41 1HB GLU 41 -12.494 -5.632 9.338 293 HG2 GLU 41 2HG GLU 41 -10.831 -7.465 9.538 294 HG3 GLU 41 1HG GLU 41 -9.554 -6.260 9.340 295 H GLN 42 H GLN 42 -11.701 -3.186 7.474 296 HA GLN 42 HA GLN 42 -14.437 -2.920 6.827 297 HB2 GLN 42 2HB GLN 42 -12.129 -1.008 6.713 298 HB3 GLN 42 1HB GLN 42 -13.833 -0.552 6.621 299 HG2 GLN 42 2HG GLN 42 -14.193 -1.079 8.851 300 HG3 GLN 42 1HG GLN 42 -12.753 -2.106 8.933 301 HE21 GLN 42 1HE2 GLN 42 -10.795 -1.180 9.119 302 HE22 GLN 42 2HE2 GLN 42 -10.649 0.474 9.517 303 H ALA 43 H ALA 43 -11.439 -2.816 5.011 304 HA ALA 43 HA ALA 43 -12.451 -1.860 2.571 305 HB1 ALA 43 1HB ALA 43 -10.405 -2.704 1.583 306 HB2 ALA 43 2HB ALA 43 -10.108 -3.688 3.015 307 HB3 ALA 43 3HB ALA 43 -10.067 -1.931 3.132 308 H GLN 44 H GLN 44 -12.708 -4.932 4.061 309 HA GLN 44 HA GLN 44 -13.101 -6.539 1.794 310 HB2 GLN 44 2HB GLN 44 -12.729 -7.014 4.363 311 HB3 GLN 44 1HB GLN 44 -14.490 -7.119 4.353 312 HG2 GLN 44 2HG GLN 44 -13.732 -9.300 4.077 313 HG3 GLN 44 1HG GLN 44 -14.147 -8.779 2.443 314 HE21 GLN 44 1HE2 GLN 44 -11.281 -7.660 4.133 315 HE22 GLN 44 2HE2 GLN 44 -10.146 -8.445 3.182 316 H GLU 45 H GLU 45 -15.062 -4.310 3.576 317 HA GLU 45 HA GLU 45 -17.605 -5.160 2.456 318 HB2 GLU 45 2HB GLU 45 -16.851 -2.653 3.921 319 HB3 GLU 45 1HB GLU 45 -18.475 -3.218 3.613 320 HG2 GLU 45 2HG GLU 45 -16.453 -4.556 5.398 321 HG3 GLU 45 1HG GLU 45 -17.905 -3.696 5.914 322 H VAL 46 H VAL 46 -15.282 -2.595 2.253 323 HA VAL 46 HA VAL 46 -16.649 -0.951 0.453 324 HB VAL 46 HB VAL 46 -13.650 -1.042 0.903 325 HG11 VAL 46 1HG1 VAL 46 -15.489 1.167 0.108 326 HG12 VAL 46 2HG1 VAL 46 -14.337 0.340 -0.958 327 HG13 VAL 46 3HG1 VAL 46 -13.755 1.331 0.400 328 HG21 VAL 46 3HG2 VAL 46 -13.992 0.609 2.680 329 HG22 VAL 46 1HG2 VAL 46 -14.792 -0.913 3.062 330 HG23 VAL 46 2HG2 VAL 46 -15.736 0.461 2.491 331 H MET 47 H MET 47 -14.401 -3.635 -0.044 332 HA MET 47 HA MET 47 -13.951 -3.187 -2.817 333 HB2 MET 47 2HB MET 47 -13.033 -5.470 -2.934 334 HB3 MET 47 1HB MET 47 -12.416 -4.609 -1.546 335 HG2 MET 47 2HG MET 47 -12.806 -6.817 -0.816 336 HG3 MET 47 1HG MET 47 -14.117 -5.857 -0.149 337 HE1 MET 47 3HE MET 47 -14.533 -8.831 -3.678 338 HE2 MET 47 1HE MET 47 -13.059 -8.598 -2.741 339 HE3 MET 47 2HE MET 47 -13.635 -7.322 -3.812 340 H ALA 48 H ALA 48 -16.618 -4.354 -1.167 341 HA ALA 48 HA ALA 48 -17.726 -5.743 -3.448 342 HB1 ALA 48 1HB ALA 48 -18.100 -6.637 -1.205 343 HB2 ALA 48 2HB ALA 48 -19.621 -6.158 -1.963 344 HB3 ALA 48 3HB ALA 48 -18.886 -5.129 -0.734 345 H ALA 49 H ALA 49 -17.748 -2.660 -1.932 346 HA ALA 49 HA ALA 49 -20.192 -1.767 -3.184 347 HB1 ALA 49 1HB ALA 49 -19.699 0.372 -2.101 348 HB2 ALA 49 2HB ALA 49 -18.128 -0.248 -1.590 349 HB3 ALA 49 3HB ALA 49 -19.606 -0.958 -0.947 350 H ALA 50 H ALA 50 -16.661 -1.334 -3.536 351 HA ALA 50 HA ALA 50 -17.143 -0.273 -6.156 352 HB1 ALA 50 1HB ALA 50 -15.310 1.325 -5.723 353 HB2 ALA 50 2HB ALA 50 -15.270 0.797 -4.042 354 HB3 ALA 50 3HB ALA 50 -16.700 1.605 -4.680 355 HA PRO 51 HA PRO 51 -14.316 -3.858 -6.345 356 HB2 PRO 51 2HB PRO 51 -14.701 -4.373 -8.976 357 HB3 PRO 51 1HB PRO 51 -15.875 -4.822 -7.728 358 HG2 PRO 51 2HG PRO 51 -15.889 -2.463 -9.561 359 HG3 PRO 51 1HG PRO 51 -17.214 -3.560 -9.139 360 HD2 PRO 51 2HD PRO 51 -16.901 -1.133 -8.006 361 HD3 PRO 51 1HD PRO 51 -17.614 -2.505 -7.135 362 H LEU 52 H LEU 52 -13.197 -1.357 -6.279 363 HA LEU 52 HA LEU 52 -11.535 -0.977 -8.630 364 HB2 LEU 52 2HB LEU 52 -10.682 0.969 -7.179 365 HB3 LEU 52 1HB LEU 52 -12.259 1.146 -7.902 366 HG LEU 52 HG LEU 52 -13.148 0.294 -5.622 367 HD11 LEU 52 1HD1 LEU 52 -10.388 1.040 -4.715 368 HD12 LEU 52 2HD1 LEU 52 -11.122 -0.566 -4.691 369 HD13 LEU 52 3HD1 LEU 52 -11.780 0.716 -3.678 370 HD21 LEU 52 3HD2 LEU 52 -12.993 2.510 -4.589 371 HD22 LEU 52 1HD2 LEU 52 -13.487 2.548 -6.280 372 HD23 LEU 52 2HD2 LEU 52 -11.829 2.978 -5.835 373 H GLN 53 H GLN 53 -9.149 -0.185 -7.891 374 HA GLN 53 HA GLN 53 -7.855 -2.525 -6.860 375 HB2 GLN 53 2HB GLN 53 -6.603 -1.759 -8.621 376 HB3 GLN 53 1HB GLN 53 -7.184 -0.112 -8.399 377 HG2 GLN 53 2HG GLN 53 -5.701 0.225 -6.585 378 HG3 GLN 53 1HG GLN 53 -5.126 -1.430 -6.704 379 HE21 GLN 53 1HE2 GLN 53 -3.063 -0.405 -6.895 380 HE22 GLN 53 2HE2 GLN 53 -2.517 0.167 -8.445 381 H TYR 54 H TYR 54 -6.614 -2.606 -5.034 382 HA TYR 54 HA TYR 54 -6.782 -0.315 -3.234 383 HB2 TYR 54 2HB TYR 54 -6.854 -3.266 -2.643 384 HB3 TYR 54 1HB TYR 54 -6.469 -2.066 -1.413 385 HD1 TYR 54 1HD TYR 54 -9.111 -3.370 -3.622 386 HD2 TYR 54 2HD TYR 54 -8.125 -0.683 -0.495 387 HE1 TYR 54 1HE TYR 54 -11.499 -3.007 -3.185 388 HE2 TYR 54 2HE TYR 54 -10.505 -0.312 -0.046 389 HH TYR 54 HH TYR 54 -12.922 -2.244 -1.405 390 H VAL 55 H VAL 55 -5.007 0.213 -2.073 391 HA VAL 55 HA VAL 55 -2.592 -1.223 -2.696 392 HB VAL 55 HB VAL 55 -2.736 0.784 -4.201 393 HG11 VAL 55 1HG1 VAL 55 -4.002 2.296 -2.820 394 HG12 VAL 55 2HG1 VAL 55 -2.464 3.038 -3.271 395 HG13 VAL 55 3HG1 VAL 55 -2.686 2.375 -1.650 396 HG21 VAL 55 3HG2 VAL 55 -0.569 0.906 -2.117 397 HG22 VAL 55 1HG2 VAL 55 -0.488 1.640 -3.719 398 HG23 VAL 55 2HG2 VAL 55 -0.578 -0.122 -3.521 399 H GLY 56 H GLY 56 -1.149 -1.151 -1.010 400 HA2 GLY 56 2HA GLY 56 -2.276 -0.021 1.495 401 HA3 GLY 56 1HA GLY 56 -1.509 -1.622 1.367 402 H VAL 57 H VAL 57 -0.934 1.020 2.806 403 HA VAL 57 HA VAL 57 1.939 1.001 2.153 404 HB VAL 57 HB VAL 57 0.402 3.412 3.164 405 HG11 VAL 57 1HG1 VAL 57 2.706 3.445 3.810 406 HG12 VAL 57 2HG1 VAL 57 2.412 4.693 2.601 407 HG13 VAL 57 3HG1 VAL 57 3.221 3.197 2.142 408 HG21 VAL 57 3HG2 VAL 57 0.641 4.438 0.939 409 HG22 VAL 57 1HG2 VAL 57 -0.353 2.987 0.884 410 HG23 VAL 57 2HG2 VAL 57 1.312 2.938 0.311 411 H PHE 58 H PHE 58 3.043 0.272 3.912 412 HA PHE 58 HA PHE 58 2.503 1.256 6.528 413 HB2 PHE 58 2HB PHE 58 0.624 -0.409 6.294 414 HB3 PHE 58 1HB PHE 58 1.817 -1.677 6.076 415 HD1 PHE 58 2HD PHE 58 0.721 0.926 8.508 416 HD2 PHE 58 1HD PHE 58 2.597 -2.846 7.942 417 HE1 PHE 58 2HE PHE 58 0.767 0.590 10.938 418 HE2 PHE 58 1HE PHE 58 2.645 -3.191 10.371 419 HZ PHE 58 HZ PHE 58 1.730 -1.472 11.873 420 H ARG 59 H ARG 59 4.128 0.554 8.036 421 HA ARG 59 HA ARG 59 6.384 -0.678 6.717 422 HB2 ARG 59 2HB ARG 59 7.683 -0.105 8.817 423 HB3 ARG 59 1HB ARG 59 7.044 1.267 7.937 424 HG2 ARG 59 2HG ARG 59 5.177 1.367 9.615 425 HG3 ARG 59 1HG ARG 59 6.011 0.094 10.505 426 HD2 ARG 59 2HD ARG 59 7.227 2.769 9.805 427 HD3 ARG 59 1HD ARG 59 6.507 2.374 11.363 428 HE ARG 59 HE ARG 59 8.209 0.614 11.527 429 HH11 ARG 59 1HH1 ARG 59 8.902 3.494 9.526 430 HH12 ARG 59 2HH1 ARG 59 10.585 3.397 9.712 431 HH21 ARG 59 1HH2 ARG 59 10.575 0.508 11.778 432 HH22 ARG 59 2HH2 ARG 59 11.560 1.627 10.998 433 H ASN 60 H ASN 60 6.014 -2.732 6.470 434 HA ASN 60 HA ASN 60 5.120 -4.361 8.677 435 HB2 ASN 60 2HB ASN 60 5.345 -4.946 5.715 436 HB3 ASN 60 1HB ASN 60 4.727 -6.045 6.935 437 HD21 ASN 60 1HD2 ASN 60 2.557 -5.775 7.680 438 HD22 ASN 60 2HD2 ASN 60 1.511 -4.701 6.874 439 H HIS 61 H HIS 61 6.620 -5.215 9.583 440 HA HIS 61 HA HIS 61 9.323 -5.552 8.513 441 HB2 HIS 61 2HB HIS 61 8.287 -6.489 11.191 442 HB3 HIS 61 1HB HIS 61 9.964 -6.216 10.752 443 HD1 HIS 61 1HD HIS 61 10.800 -3.629 10.819 444 HD2 HIS 61 2HD HIS 61 6.825 -4.260 11.907 445 HE1 HIS 61 1HE HIS 61 10.010 -1.527 11.861 446 H ASP 62 H ASP 62 6.500 -7.373 9.247 447 HA ASP 62 HA ASP 62 7.757 -9.976 8.642 448 HB2 ASP 62 2HB ASP 62 6.308 -9.830 10.651 449 HB3 ASP 62 1HB ASP 62 4.976 -9.361 9.607 450 H ILE 63 H ILE 63 7.733 -10.750 6.813 451 HA ILE 63 HA ILE 63 6.370 -9.640 4.602 452 HB ILE 63 HB ILE 63 8.463 -10.759 4.237 453 HG12 ILE 63 2HG1 ILE 63 6.439 -12.600 3.017 454 HG13 ILE 63 1HG1 ILE 63 6.552 -10.914 2.538 455 HG21 ILE 63 1HG2 ILE 63 8.399 -12.344 6.057 456 HG22 ILE 63 2HG2 ILE 63 8.764 -13.167 4.540 457 HG23 ILE 63 3HG2 ILE 63 7.145 -13.271 5.237 458 HD11 ILE 63 3HD1 ILE 63 7.808 -12.392 1.027 459 HD12 ILE 63 1HD1 ILE 63 8.747 -12.985 2.393 460 HD13 ILE 63 2HD1 ILE 63 8.899 -11.308 1.881 461 H ALA 64 H ALA 64 5.475 -12.181 6.756 462 HA ALA 64 HA ALA 64 3.528 -13.244 4.939 463 HB1 ALA 64 1HB ALA 64 3.837 -13.711 7.904 464 HB2 ALA 64 2HB ALA 64 4.589 -14.668 6.629 465 HB3 ALA 64 3HB ALA 64 2.834 -14.658 6.806 466 H ASP 65 H ASP 65 3.690 -10.642 7.032 467 HA ASP 65 HA ASP 65 0.843 -10.485 7.578 468 HB2 ASP 65 2HB ASP 65 2.462 -9.632 9.253 469 HB3 ASP 65 1HB ASP 65 3.020 -8.437 8.092 470 H VAL 66 H VAL 66 3.167 -9.237 5.394 471 HA VAL 66 HA VAL 66 1.515 -7.295 4.102 472 HB VAL 66 HB VAL 66 3.823 -8.834 2.881 473 HG11 VAL 66 1HG1 VAL 66 2.640 -6.157 2.200 474 HG12 VAL 66 2HG1 VAL 66 2.489 -7.636 1.259 475 HG13 VAL 66 3HG1 VAL 66 4.066 -6.859 1.436 476 HG21 VAL 66 3HG2 VAL 66 3.915 -6.260 4.437 477 HG22 VAL 66 1HG2 VAL 66 5.266 -6.960 3.544 478 HG23 VAL 66 2HG2 VAL 66 4.593 -7.810 4.937 479 H VAL 67 H VAL 67 2.479 -10.626 3.526 480 HA VAL 67 HA VAL 67 1.082 -11.026 1.094 481 HB VAL 67 HB VAL 67 1.760 -13.146 3.163 482 HG11 VAL 67 1HG1 VAL 67 0.143 -13.940 1.522 483 HG12 VAL 67 2HG1 VAL 67 1.715 -14.708 1.268 484 HG13 VAL 67 3HG1 VAL 67 1.192 -13.402 0.210 485 HG21 VAL 67 3HG2 VAL 67 3.732 -11.890 2.472 486 HG22 VAL 67 1HG2 VAL 67 3.359 -12.212 0.781 487 HG23 VAL 67 2HG2 VAL 67 3.779 -13.540 1.862 488 H ASP 68 H ASP 68 0.186 -11.421 4.408 489 HA ASP 68 HA ASP 68 -2.290 -12.628 4.287 490 HB2 ASP 68 2HB ASP 68 -1.227 -12.186 6.395 491 HB3 ASP 68 1HB ASP 68 -1.220 -10.460 6.092 492 H LYS 69 H LYS 69 -1.667 -9.154 4.346 493 HA LYS 69 HA LYS 69 -4.388 -8.427 3.912 494 HB2 LYS 69 2HB LYS 69 -1.966 -6.769 3.214 495 HB3 LYS 69 1HB LYS 69 -3.572 -6.160 3.595 496 HG2 LYS 69 2HG LYS 69 -1.650 -7.502 5.482 497 HG3 LYS 69 1HG LYS 69 -1.979 -5.775 5.388 498 HD2 LYS 69 2HD LYS 69 -4.245 -6.124 6.120 499 HD3 LYS 69 1HD LYS 69 -4.024 -7.879 6.063 500 HE2 LYS 69 2HE LYS 69 -2.505 -5.977 7.836 501 HE3 LYS 69 1HE LYS 69 -3.837 -7.020 8.345 502 HZ1 LYS 69 3HZ LYS 69 -1.254 -7.989 7.215 503 HZ2 LYS 69 1HZ LYS 69 -2.544 -8.935 7.735 504 HZ3 LYS 69 2HZ LYS 69 -1.625 -8.002 8.835 505 H ALA 70 H ALA 70 -1.574 -8.749 1.824 506 HA ALA 70 HA ALA 70 -2.555 -7.690 -0.552 507 HB1 ALA 70 1HB ALA 70 -0.563 -9.924 -0.221 508 HB2 ALA 70 2HB ALA 70 -0.195 -8.203 -0.126 509 HB3 ALA 70 3HB ALA 70 -0.769 -8.900 -1.641 510 H LYS 71 H LYS 71 -2.798 -10.948 0.764 511 HA LYS 71 HA LYS 71 -4.117 -11.886 -1.607 512 HB2 LYS 71 2HB LYS 71 -2.661 -13.389 -0.395 513 HB3 LYS 71 1HB LYS 71 -3.645 -13.230 1.052 514 HG2 LYS 71 2HG LYS 71 -5.523 -14.267 -0.084 515 HG3 LYS 71 1HG LYS 71 -4.573 -14.422 -1.556 516 HD2 LYS 71 2HD LYS 71 -3.907 -15.721 1.096 517 HD3 LYS 71 1HD LYS 71 -4.680 -16.530 -0.260 518 HE2 LYS 71 2HE LYS 71 -1.906 -15.328 -0.260 519 HE3 LYS 71 1HE LYS 71 -2.300 -17.038 -0.173 520 HZ1 LYS 71 3HZ LYS 71 -3.343 -16.833 -2.398 521 HZ2 LYS 71 1HZ LYS 71 -1.702 -16.465 -2.392 522 HZ3 LYS 71 2HZ LYS 71 -2.829 -15.233 -2.477 523 H VAL 72 H VAL 72 -5.086 -11.366 1.796 524 HA VAL 72 HA VAL 72 -7.719 -12.261 1.566 525 HB VAL 72 HB VAL 72 -6.761 -10.045 3.392 526 HG11 VAL 72 1HG1 VAL 72 -9.135 -11.886 3.650 527 HG12 VAL 72 2HG1 VAL 72 -9.149 -10.154 3.264 528 HG13 VAL 72 3HG1 VAL 72 -8.578 -10.695 4.840 529 HG21 VAL 72 3HG2 VAL 72 -5.394 -11.951 3.717 530 HG22 VAL 72 1HG2 VAL 72 -6.802 -13.028 3.851 531 HG23 VAL 72 2HG2 VAL 72 -6.494 -11.768 5.066 532 H LEU 73 H LEU 73 -6.619 -8.844 1.433 533 HA LEU 73 HA LEU 73 -9.182 -8.012 0.540 534 HB2 LEU 73 2HB LEU 73 -7.761 -6.621 1.973 535 HB3 LEU 73 1HB LEU 73 -6.553 -6.563 0.714 536 HG LEU 73 HG LEU 73 -8.025 -5.253 -0.692 537 HD11 LEU 73 1HD1 LEU 73 -9.992 -5.522 1.575 538 HD12 LEU 73 2HD1 LEU 73 -10.137 -6.248 -0.027 539 HD13 LEU 73 3HD1 LEU 73 -10.200 -4.493 0.153 540 HD21 LEU 73 3HD2 LEU 73 -7.899 -4.234 2.134 541 HD22 LEU 73 1HD2 LEU 73 -8.114 -3.245 0.690 542 HD23 LEU 73 2HD2 LEU 73 -6.604 -4.130 0.944 543 H SER 74 H SER 74 -6.332 -9.191 -0.923 544 HA SER 74 HA SER 74 -5.498 -9.309 -2.950 545 HB2 SER 74 2HB SER 74 -8.340 -8.799 -3.877 546 HB3 SER 74 1HB SER 74 -7.035 -9.418 -4.893 547 HG SER 74 HG SER 74 -7.387 -10.795 -2.537 548 H LEU 75 H LEU 75 -4.260 -7.580 -2.487 549 HA LEU 75 HA LEU 75 -4.942 -4.914 -3.257 550 HB2 LEU 75 2HB LEU 75 -2.305 -6.148 -2.505 551 HB3 LEU 75 1HB LEU 75 -2.617 -4.437 -2.679 552 HG LEU 75 HG LEU 75 -3.883 -6.228 -0.616 553 HD11 LEU 75 1HD1 LEU 75 -1.499 -5.880 -0.284 554 HD12 LEU 75 2HD1 LEU 75 -2.463 -5.105 0.964 555 HD13 LEU 75 3HD1 LEU 75 -1.734 -4.128 -0.327 556 HD21 LEU 75 3HD2 LEU 75 -4.047 -3.261 -1.097 557 HD22 LEU 75 1HD2 LEU 75 -4.644 -4.100 0.350 558 HD23 LEU 75 2HD2 LEU 75 -5.325 -4.463 -1.242 559 H ALA 76 H ALA 76 -3.054 -3.844 -4.487 560 HA ALA 76 HA ALA 76 -2.506 -5.382 -6.916 561 HB1 ALA 76 1HB ALA 76 -4.274 -3.749 -7.384 562 HB2 ALA 76 2HB ALA 76 -2.781 -3.331 -8.224 563 HB3 ALA 76 3HB ALA 76 -3.243 -2.463 -6.759 564 H ALA 77 H ALA 77 -1.613 -2.665 -4.803 565 HA ALA 77 HA ALA 77 1.109 -3.583 -5.083 566 HB1 ALA 77 1HB ALA 77 1.931 -1.324 -5.294 567 HB2 ALA 77 2HB ALA 77 0.285 -0.705 -5.252 568 HB3 ALA 77 3HB ALA 77 0.819 -1.687 -6.612 569 H VAL 78 H VAL 78 2.417 -2.859 -3.365 570 HA VAL 78 HA VAL 78 1.047 -1.747 -1.035 571 HB VAL 78 HB VAL 78 0.991 -4.161 -0.688 572 HG11 VAL 78 1HG1 VAL 78 3.194 -5.416 -0.430 573 HG12 VAL 78 2HG1 VAL 78 3.961 -3.981 -1.170 574 HG13 VAL 78 3HG1 VAL 78 2.784 -4.910 -2.072 575 HG21 VAL 78 3HG2 VAL 78 1.319 -2.774 1.296 576 HG22 VAL 78 1HG2 VAL 78 3.066 -2.848 1.073 577 HG23 VAL 78 2HG2 VAL 78 2.165 -4.310 1.483 578 H GLN 79 H GLN 79 2.357 -0.315 0.164 579 HA GLN 79 HA GLN 79 4.969 0.113 -0.901 580 HB2 GLN 79 2HB GLN 79 2.917 1.776 0.434 581 HB3 GLN 79 1HB GLN 79 4.601 2.229 0.510 582 HG2 GLN 79 2HG GLN 79 3.624 3.418 -1.255 583 HG3 GLN 79 1HG GLN 79 4.635 2.171 -1.974 584 HE21 GLN 79 1HE2 GLN 79 3.556 0.295 -2.871 585 HE22 GLN 79 2HE2 GLN 79 1.927 0.477 -3.425 586 H LEU 80 H LEU 80 6.375 -0.756 0.163 587 HA LEU 80 HA LEU 80 6.000 -1.074 3.028 588 HB2 LEU 80 2HB LEU 80 7.904 -2.721 2.870 589 HB3 LEU 80 1HB LEU 80 6.387 -3.194 2.146 590 HG LEU 80 HG LEU 80 7.364 -2.571 -0.095 591 HD11 LEU 80 1HD1 LEU 80 9.169 -1.115 0.623 592 HD12 LEU 80 2HD1 LEU 80 9.770 -2.458 -0.343 593 HD13 LEU 80 3HD1 LEU 80 9.968 -2.474 1.413 594 HD21 LEU 80 3HD2 LEU 80 7.172 -4.842 0.613 595 HD22 LEU 80 1HD2 LEU 80 8.701 -4.743 1.487 596 HD23 LEU 80 2HD2 LEU 80 8.682 -4.616 -0.271 597 H HIS 81 H HIS 81 7.639 -0.645 4.428 598 HA HIS 81 HA HIS 81 9.431 1.441 3.538 599 HB2 HIS 81 2HB HIS 81 8.652 0.461 6.300 600 HB3 HIS 81 1HB HIS 81 9.904 1.670 6.027 601 HD1 HIS 81 1HD HIS 81 6.110 1.234 5.569 602 HD2 HIS 81 2HD HIS 81 9.025 4.201 5.641 603 HE1 HIS 81 1HE HIS 81 4.886 3.414 5.594 604 H GLY 82 H GLY 82 11.000 0.558 2.567 605 HA2 GLY 82 2HA GLY 82 11.842 -2.130 2.982 606 HA3 GLY 82 1HA GLY 82 12.502 -0.978 1.834 607 H ASN 83 H ASN 83 12.757 0.707 4.432 608 HA ASN 83 HA ASN 83 15.511 0.706 4.656 609 HB2 ASN 83 2HB ASN 83 13.787 2.403 5.541 610 HB3 ASN 83 1HB ASN 83 13.722 1.404 6.984 611 HD21 ASN 83 1HD2 ASN 83 14.580 4.184 6.616 612 HD22 ASN 83 2HD2 ASN 83 16.187 4.269 7.226 613 H GLU 84 H GLU 84 13.289 -1.465 6.192 614 HA GLU 84 HA GLU 84 14.679 -2.446 8.356 615 HB2 GLU 84 2HB GLU 84 12.993 -4.080 6.462 616 HB3 GLU 84 1HB GLU 84 13.384 -4.488 8.125 617 HG2 GLU 84 2HG GLU 84 11.645 -2.235 7.154 618 HG3 GLU 84 1HG GLU 84 11.160 -3.650 8.085 619 H GLU 85 H GLU 85 14.995 -3.501 4.959 620 HA GLU 85 HA GLU 85 17.715 -4.142 5.120 621 HB2 GLU 85 2HB GLU 85 16.294 -6.111 6.347 622 HB3 GLU 85 1HB GLU 85 16.195 -6.653 4.676 623 HG2 GLU 85 2HG GLU 85 18.775 -5.992 6.044 624 HG3 GLU 85 1HG GLU 85 18.058 -7.594 6.056 625 H GLN 86 H GLN 86 18.427 -4.811 2.931 626 HA GLN 86 HA GLN 86 16.776 -3.520 0.985 627 HB2 GLN 86 2HB GLN 86 19.476 -4.807 0.970 628 HB3 GLN 86 1HB GLN 86 18.788 -3.948 -0.390 629 HG2 GLN 86 2HG GLN 86 18.762 -1.878 0.883 630 HG3 GLN 86 1HG GLN 86 19.297 -2.730 2.328 631 HE21 GLN 86 1HE2 GLN 86 21.248 -4.337 0.910 632 HE22 GLN 86 2HE2 GLN 86 22.544 -3.297 0.492 633 H LEU 87 H LEU 87 18.098 -6.616 1.648 634 HA LEU 87 HA LEU 87 17.129 -7.881 -0.709 635 HB2 LEU 87 2HB LEU 87 18.303 -9.034 1.798 636 HB3 LEU 87 1HB LEU 87 18.033 -9.911 0.298 637 HG LEU 87 HG LEU 87 19.730 -7.461 0.425 638 HD11 LEU 87 1HD1 LEU 87 20.675 -9.030 1.936 639 HD12 LEU 87 2HD1 LEU 87 21.678 -8.963 0.483 640 HD13 LEU 87 3HD1 LEU 87 20.582 -10.333 0.748 641 HD21 LEU 87 3HD2 LEU 87 19.520 -9.708 -1.570 642 HD22 LEU 87 1HD2 LEU 87 20.696 -8.390 -1.637 643 HD23 LEU 87 2HD2 LEU 87 18.977 -8.034 -1.766 644 H TYR 88 H TYR 88 15.850 -7.109 2.273 645 HA TYR 88 HA TYR 88 13.935 -9.130 2.619 646 HB2 TYR 88 2HB TYR 88 14.323 -7.631 4.440 647 HB3 TYR 88 1HB TYR 88 13.970 -6.224 3.444 648 HD1 TYR 88 2HD TYR 88 12.144 -9.414 4.085 649 HD2 TYR 88 1HD TYR 88 12.102 -5.180 4.220 650 HE1 TYR 88 2HE TYR 88 9.820 -9.496 4.832 651 HE2 TYR 88 1HE TYR 88 9.748 -5.223 5.011 652 HH TYR 88 HH TYR 88 7.899 -6.573 5.183 653 H ILE 89 H ILE 89 13.947 -6.161 0.761 654 HA ILE 89 HA ILE 89 11.258 -6.233 -0.123 655 HB ILE 89 HB ILE 89 13.738 -5.055 -1.402 656 HG12 ILE 89 2HG1 ILE 89 12.596 -2.847 -0.837 657 HG13 ILE 89 1HG1 ILE 89 11.456 -3.789 0.108 658 HG21 ILE 89 1HG2 ILE 89 12.123 -5.541 -3.167 659 HG22 ILE 89 2HG2 ILE 89 12.210 -3.786 -2.910 660 HG23 ILE 89 3HG2 ILE 89 10.864 -4.721 -2.240 661 HD11 ILE 89 3HD1 ILE 89 13.186 -2.805 1.477 662 HD12 ILE 89 1HD1 ILE 89 14.409 -3.654 0.539 663 HD13 ILE 89 2HD1 ILE 89 13.252 -4.565 1.513 664 H ASP 90 H ASP 90 14.206 -7.540 -1.310 665 HA ASP 90 HA ASP 90 13.324 -8.705 -3.725 666 HB2 ASP 90 2HB ASP 90 15.679 -8.266 -2.950 667 HB3 ASP 90 1HB ASP 90 15.528 -9.684 -1.936 668 H THR 91 H THR 91 12.866 -9.571 -0.500 669 HA THR 91 HA THR 91 12.391 -12.406 -0.862 670 HB THR 91 HB THR 91 12.037 -10.498 1.441 671 HG1 THR 91 1HG THR 91 14.241 -10.873 0.796 672 HG21 THR 91 3HG2 THR 91 11.798 -12.436 2.859 673 HG22 THR 91 1HG2 THR 91 11.935 -13.505 1.425 674 HG23 THR 91 2HG2 THR 91 10.613 -12.328 1.542 675 H LEU 92 H LEU 92 10.485 -9.448 -0.228 676 HA LEU 92 HA LEU 92 7.997 -10.470 0.011 677 HB2 LEU 92 2HB LEU 92 9.017 -7.921 -1.091 678 HB3 LEU 92 1HB LEU 92 7.303 -8.259 -1.262 679 HG LEU 92 HG LEU 92 7.604 -6.829 0.609 680 HD11 LEU 92 1HD1 LEU 92 6.711 -8.135 2.401 681 HD12 LEU 92 2HD1 LEU 92 7.381 -9.555 1.596 682 HD13 LEU 92 3HD1 LEU 92 6.021 -8.690 0.841 683 HD21 LEU 92 3HD2 LEU 92 9.952 -7.226 1.020 684 HD22 LEU 92 1HD2 LEU 92 9.556 -8.836 1.612 685 HD23 LEU 92 2HD2 LEU 92 9.002 -7.413 2.502 686 H ARG 93 H ARG 93 9.689 -9.536 -2.854 687 HA ARG 93 HA ARG 93 8.091 -9.798 -4.989 688 HB2 ARG 93 2HB ARG 93 10.688 -11.320 -5.060 689 HB3 ARG 93 1HB ARG 93 9.920 -10.416 -6.348 690 HG2 ARG 93 2HG ARG 93 11.312 -9.335 -3.932 691 HG3 ARG 93 1HG ARG 93 11.817 -9.207 -5.619 692 HD2 ARG 93 2HD ARG 93 9.367 -8.120 -4.393 693 HD3 ARG 93 1HD ARG 93 10.818 -7.209 -4.666 694 HE ARG 93 HE ARG 93 10.560 -7.613 -7.088 695 HH11 ARG 93 1HH1 ARG 93 7.595 -8.013 -5.158 696 HH12 ARG 93 2HH1 ARG 93 6.558 -7.803 -6.487 697 HH21 ARG 93 1HH2 ARG 93 9.080 -7.245 -8.862 698 HH22 ARG 93 2HH2 ARG 93 7.392 -7.330 -8.599 699 H GLU 94 H GLU 94 9.394 -12.348 -3.114 700 HA GLU 94 HA GLU 94 8.726 -14.510 -4.913 701 HB2 GLU 94 2HB GLU 94 9.680 -14.601 -2.075 702 HB3 GLU 94 1HB GLU 94 9.692 -15.940 -3.224 703 HG2 GLU 94 2HG GLU 94 11.244 -14.648 -4.621 704 HG3 GLU 94 1HG GLU 94 11.215 -13.383 -3.387 705 H ALA 95 H ALA 95 7.601 -13.369 -1.794 706 HA ALA 95 HA ALA 95 5.667 -15.495 -1.583 707 HB1 ALA 95 1HB ALA 95 5.104 -14.605 0.574 708 HB2 ALA 95 2HB ALA 95 5.977 -13.118 0.218 709 HB3 ALA 95 3HB ALA 95 6.860 -14.636 0.401 710 H LEU 96 H LEU 96 5.721 -12.482 -2.814 711 HA LEU 96 HA LEU 96 2.797 -12.208 -2.828 712 HB2 LEU 96 2HB LEU 96 4.928 -10.248 -3.690 713 HB3 LEU 96 1HB LEU 96 3.205 -9.947 -3.757 714 HG LEU 96 HG LEU 96 4.826 -10.361 -1.239 715 HD11 LEU 96 1HD1 LEU 96 3.576 -7.877 -2.399 716 HD12 LEU 96 2HD1 LEU 96 5.300 -8.236 -2.328 717 HD13 LEU 96 3HD1 LEU 96 4.388 -7.995 -0.839 718 HD21 LEU 96 3HD2 LEU 96 2.784 -9.688 -0.069 719 HD22 LEU 96 1HD2 LEU 96 2.530 -11.169 -0.989 720 HD23 LEU 96 2HD2 LEU 96 1.919 -9.636 -1.605 721 HA PRO 97 HA PRO 97 2.789 -13.739 -7.006 722 HB2 PRO 97 2HB PRO 97 0.275 -12.936 -7.665 723 HB3 PRO 97 1HB PRO 97 0.557 -14.354 -6.653 724 HG2 PRO 97 2HG PRO 97 -0.169 -11.566 -5.890 725 HG3 PRO 97 1HG PRO 97 -0.794 -13.093 -5.230 726 HD2 PRO 97 2HD PRO 97 1.072 -11.611 -3.950 727 HD3 PRO 97 1HD PRO 97 1.049 -13.382 -3.851 728 H ALA 98 H ALA 98 2.406 -12.778 -9.190 729 HA ALA 98 HA ALA 98 3.781 -10.282 -9.355 730 HB1 ALA 98 1HB ALA 98 3.582 -10.530 -11.774 731 HB2 ALA 98 2HB ALA 98 2.400 -11.815 -11.559 732 HB3 ALA 98 3HB ALA 98 4.069 -12.056 -11.038 733 H HIS 99 H HIS 99 0.602 -11.056 -8.931 734 HA HIS 99 HA HIS 99 -0.715 -8.895 -10.267 735 HB2 HIS 99 2HB HIS 99 -1.644 -10.563 -7.926 736 HB3 HIS 99 1HB HIS 99 -2.686 -9.541 -8.922 737 HD1 HIS 99 1HD HIS 99 -2.576 -12.865 -8.427 738 HD2 HIS 99 2HD HIS 99 -1.646 -10.565 -11.713 739 HE1 HIS 99 1HE HIS 99 -2.714 -14.424 -10.365 740 H VAL 100 H VAL 100 0.885 -9.325 -7.114 741 HA VAL 100 HA VAL 100 -0.111 -6.799 -6.237 742 HB VAL 100 HB VAL 100 1.394 -9.026 -4.885 743 HG11 VAL 100 1HG1 VAL 100 0.218 -6.518 -3.767 744 HG12 VAL 100 2HG1 VAL 100 1.929 -6.889 -4.045 745 HG13 VAL 100 3HG1 VAL 100 1.010 -7.813 -2.828 746 HG21 VAL 100 3HG2 VAL 100 -0.931 -9.613 -5.399 747 HG22 VAL 100 1HG2 VAL 100 -1.483 -8.174 -4.550 748 HG23 VAL 100 2HG2 VAL 100 -0.678 -9.472 -3.662 749 H ALA 101 H ALA 101 1.216 -5.202 -6.313 750 HA ALA 101 HA ALA 101 3.974 -5.652 -7.181 751 HB1 ALA 101 1HB ALA 101 2.240 -3.198 -7.414 752 HB2 ALA 101 2HB ALA 101 2.575 -4.351 -8.704 753 HB3 ALA 101 3HB ALA 101 3.880 -3.367 -8.042 754 H ILE 102 H ILE 102 5.458 -3.891 -6.381 755 HA ILE 102 HA ILE 102 4.882 -3.287 -3.568 756 HB ILE 102 HB ILE 102 7.506 -4.101 -4.798 757 HG12 ILE 102 2HG1 ILE 102 5.915 -5.544 -2.640 758 HG13 ILE 102 1HG1 ILE 102 5.967 -6.040 -4.328 759 HG21 ILE 102 1HG2 ILE 102 8.295 -3.895 -2.363 760 HG22 ILE 102 2HG2 ILE 102 6.757 -2.944 -2.177 761 HG23 ILE 102 3HG2 ILE 102 7.946 -2.466 -3.353 762 HD11 ILE 102 3HD1 ILE 102 7.586 -7.460 -3.206 763 HD12 ILE 102 1HD1 ILE 102 8.238 -6.058 -2.337 764 HD13 ILE 102 2HD1 ILE 102 8.468 -6.227 -4.056 765 H TRP 103 H TRP 103 5.185 -1.129 -3.152 766 HA TRP 103 HA TRP 103 6.887 0.243 -5.101 767 HB2 TRP 103 2HB TRP 103 4.463 1.484 -3.775 768 HB3 TRP 103 1HB TRP 103 5.554 2.296 -4.889 769 HD1 TRP 103 HD TRP 103 5.327 -0.589 -6.779 770 HE1 TRP 103 1HE TRP 103 3.339 -0.693 -8.363 771 HE3 TRP 103 3HE TRP 103 2.553 2.934 -4.582 772 HZ2 TRP 103 2HZ TRP 103 0.795 0.603 -8.604 773 HZ3 TRP 103 3HZ TRP 103 0.314 3.521 -5.541 774 HH2 TRP 103 HH TRP 103 -0.512 2.362 -7.525 775 H LYS 104 H LYS 104 8.047 2.044 -4.266 776 HA LYS 104 HA LYS 104 8.698 1.585 -1.457 777 HB2 LYS 104 2HB LYS 104 10.433 1.170 -3.328 778 HB3 LYS 104 1HB LYS 104 10.454 2.903 -3.550 779 HG2 LYS 104 2HG LYS 104 11.193 1.525 -0.947 780 HG3 LYS 104 1HG LYS 104 12.348 1.981 -2.191 781 HD2 LYS 104 2HD LYS 104 11.797 4.334 -1.870 782 HD3 LYS 104 1HD LYS 104 10.540 3.906 -0.717 783 HE2 LYS 104 2HE LYS 104 12.276 2.926 0.759 784 HE3 LYS 104 1HE LYS 104 13.506 3.454 -0.387 785 HZ1 LYS 104 3HZ LYS 104 13.230 5.011 1.491 786 HZ2 LYS 104 1HZ LYS 104 11.630 5.268 1.040 787 HZ3 LYS 104 2HZ LYS 104 12.896 5.740 0.030 788 H ALA 105 H ALA 105 8.105 3.103 -0.181 789 HA ALA 105 HA ALA 105 7.101 5.651 -0.965 790 HB1 ALA 105 1HB ALA 105 6.364 4.577 1.118 791 HB2 ALA 105 2HB ALA 105 7.087 6.145 1.474 792 HB3 ALA 105 3HB ALA 105 8.002 4.668 1.758 793 H LEU 106 H LEU 106 8.507 6.906 -2.026 794 HA LEU 106 HA LEU 106 11.276 6.930 -1.306 795 HB2 LEU 106 2HB LEU 106 10.620 6.642 -3.631 796 HB3 LEU 106 1HB LEU 106 9.732 8.137 -3.598 797 HG LEU 106 HG LEU 106 12.733 8.160 -3.211 798 HD11 LEU 106 1HD1 LEU 106 12.287 6.850 -5.231 799 HD12 LEU 106 2HD1 LEU 106 12.964 8.432 -5.623 800 HD13 LEU 106 3HD1 LEU 106 11.239 8.137 -5.834 801 HD21 LEU 106 3HD2 LEU 106 12.530 10.367 -4.230 802 HD22 LEU 106 1HD2 LEU 106 11.465 10.245 -2.832 803 HD23 LEU 106 2HD2 LEU 106 10.799 10.126 -4.460 804 H SER 107 H SER 107 11.914 8.209 0.193 805 HA SER 107 HA SER 107 10.677 10.669 0.898 806 HB2 SER 107 2HB SER 107 12.039 9.241 2.486 807 HB3 SER 107 1HB SER 107 13.473 9.620 1.536 808 HG SER 107 HG SER 107 11.807 11.460 2.897 809 H VAL 108 H VAL 108 11.143 12.629 0.034 810 HA VAL 108 HA VAL 108 11.897 13.041 -2.478 811 HB VAL 108 HB VAL 108 12.447 15.432 -1.899 812 HG11 VAL 108 1HG1 VAL 108 10.158 14.719 -2.324 813 HG12 VAL 108 2HG1 VAL 108 10.197 15.935 -1.044 814 HG13 VAL 108 3HG1 VAL 108 9.985 14.236 -0.638 815 HG21 VAL 108 3HG2 VAL 108 13.493 15.055 0.293 816 HG22 VAL 108 1HG2 VAL 108 11.952 14.482 0.935 817 HG23 VAL 108 2HG2 VAL 108 12.126 16.163 0.431 818 H GLY 109 H GLY 109 13.570 12.864 -3.709 819 HA2 GLY 109 2HA GLY 109 16.119 12.188 -2.581 820 HA3 GLY 109 1HA GLY 109 15.717 12.186 -4.306 821 H GLU 110 H GLU 110 16.074 14.309 -1.635 822 HA GLU 110 HA GLU 110 17.177 16.449 -3.294 823 HB2 GLU 110 2HB GLU 110 16.698 16.374 -0.309 824 HB3 GLU 110 1HB GLU 110 17.049 17.799 -1.265 825 HG2 GLU 110 2HG GLU 110 14.625 16.093 -1.670 826 HG3 GLU 110 1HG GLU 110 14.646 17.499 -0.607 827 H THR 111 H THR 111 18.033 15.059 -0.149 828 HA THR 111 HA THR 111 20.833 15.098 -0.953 829 HB THR 111 HB THR 111 20.399 16.367 1.110 830 HG1 THR 111 1HG THR 111 21.921 14.016 1.262 831 HG21 THR 111 3HG2 THR 111 19.688 15.203 3.179 832 HG22 THR 111 1HG2 THR 111 19.324 13.773 2.217 833 HG23 THR 111 2HG2 THR 111 18.423 15.274 1.956 834 H LEU 112 H LEU 112 18.178 13.078 -0.170 835 HA LEU 112 HA LEU 112 19.805 10.713 0.161 836 HB2 LEU 112 2HB LEU 112 16.806 11.111 0.119 837 HB3 LEU 112 1HB LEU 112 17.595 9.567 0.363 838 HG LEU 112 HG LEU 112 17.778 11.945 2.210 839 HD11 LEU 112 1HD1 LEU 112 15.587 10.888 2.245 840 HD12 LEU 112 2HD1 LEU 112 16.465 10.550 3.736 841 HD13 LEU 112 3HD1 LEU 112 16.336 9.311 2.488 842 HD21 LEU 112 3HD2 LEU 112 18.897 9.150 2.470 843 HD22 LEU 112 1HD2 LEU 112 18.908 10.381 3.736 844 HD23 LEU 112 2HD2 LEU 112 19.826 10.633 2.252 845 HA PRO 113 HA PRO 113 19.348 9.614 -4.138 846 HB2 PRO 113 2HB PRO 113 19.341 6.785 -3.614 847 HB3 PRO 113 1HB PRO 113 20.678 7.787 -4.178 848 HG2 PRO 113 2HG PRO 113 20.565 6.584 -1.724 849 HG3 PRO 113 1HG PRO 113 21.544 8.021 -2.077 850 HD2 PRO 113 2HD PRO 113 18.890 7.777 -0.744 851 HD3 PRO 113 1HD PRO 113 20.249 8.851 -0.357 852 H ALA 114 H ALA 114 17.951 8.685 -5.653 853 HA ALA 114 HA ALA 114 15.224 8.423 -4.701 854 HB1 ALA 114 1HB ALA 114 16.350 8.438 -7.506 855 HB2 ALA 114 2HB ALA 114 15.681 9.828 -6.655 856 HB3 ALA 114 3HB ALA 114 14.637 8.474 -7.090 857 H ARG 115 H ARG 115 17.739 6.535 -6.229 858 HA ARG 115 HA ARG 115 16.003 4.195 -6.143 859 HB2 ARG 115 2HB ARG 115 18.705 4.503 -7.472 860 HB3 ARG 115 1HB ARG 115 17.662 3.094 -7.561 861 HG2 ARG 115 2HG ARG 115 17.128 5.820 -8.728 862 HG3 ARG 115 1HG ARG 115 17.497 4.341 -9.613 863 HD2 ARG 115 2HD ARG 115 15.029 4.881 -7.956 864 HD3 ARG 115 1HD ARG 115 15.110 4.850 -9.709 865 HE ARG 115 HE ARG 115 16.008 2.392 -8.636 866 HH11 ARG 115 1HH1 ARG 115 13.069 4.218 -9.362 867 HH12 ARG 115 2HH1 ARG 115 12.066 2.836 -9.379 868 HH21 ARG 115 1HH2 ARG 115 14.604 0.512 -8.657 869 HH22 ARG 115 2HH2 ARG 115 12.946 0.710 -8.969 870 H GLU 116 H GLU 116 16.280 2.775 -4.651 871 HA GLU 116 HA GLU 116 18.745 2.716 -3.071 872 HB2 GLU 116 2HB GLU 116 15.913 2.925 -2.000 873 HB3 GLU 116 1HB GLU 116 17.305 2.514 -1.019 874 HG2 GLU 116 2HG GLU 116 17.327 5.055 -2.566 875 HG3 GLU 116 1HG GLU 116 16.366 4.943 -1.094 876 H PHE 117 H PHE 117 15.484 1.367 -3.259 877 HA PHE 117 HA PHE 117 16.610 -1.285 -2.985 878 HB2 PHE 117 2HB PHE 117 13.774 -0.323 -2.554 879 HB3 PHE 117 1HB PHE 117 14.365 -1.960 -2.272 880 HD1 PHE 117 2HD PHE 117 16.088 -2.336 -0.520 881 HD2 PHE 117 1HD PHE 117 14.029 1.349 -0.937 882 HE1 PHE 117 2HE PHE 117 16.796 -1.660 1.767 883 HE2 PHE 117 1HE PHE 117 14.727 2.015 1.314 884 HZ PHE 117 HZ PHE 117 16.114 0.506 2.662 885 H GLN 118 H GLN 118 16.819 -2.260 -4.695 886 HA GLN 118 HA GLN 118 15.482 -1.631 -7.163 887 HB2 GLN 118 2HB GLN 118 16.780 -3.450 -8.115 888 HB3 GLN 118 1HB GLN 118 17.824 -2.464 -7.099 889 HG2 GLN 118 2HG GLN 118 17.578 -4.128 -5.291 890 HG3 GLN 118 1HG GLN 118 16.614 -5.125 -6.374 891 HE21 GLN 118 1HE2 GLN 118 17.648 -6.171 -8.107 892 HE22 GLN 118 2HE2 GLN 118 19.368 -6.327 -8.144 893 H HIS 119 H HIS 119 14.319 -3.310 -8.361 894 HA HIS 119 HA HIS 119 12.884 -4.949 -8.716 895 HB2 HIS 119 2HB HIS 119 13.665 -5.977 -5.976 896 HB3 HIS 119 1HB HIS 119 12.535 -6.812 -7.035 897 HD1 HIS 119 1HD HIS 119 15.286 -8.175 -6.221 898 HD2 HIS 119 2HD HIS 119 14.606 -5.974 -9.683 899 HE1 HIS 119 1HE HIS 119 16.999 -8.918 -7.865 900 H VAL 120 H VAL 120 12.403 -2.460 -6.949 901 HA VAL 120 HA VAL 120 9.727 -3.141 -6.095 902 HB VAL 120 HB VAL 120 9.458 -0.782 -5.434 903 HG11 VAL 120 1HG1 VAL 120 11.162 -0.697 -3.651 904 HG12 VAL 120 2HG1 VAL 120 12.041 -1.987 -4.465 905 HG13 VAL 120 3HG1 VAL 120 10.428 -2.290 -3.822 906 HG21 VAL 120 3HG2 VAL 120 11.348 0.802 -5.562 907 HG22 VAL 120 1HG2 VAL 120 10.782 0.305 -7.157 908 HG23 VAL 120 2HG2 VAL 120 12.264 -0.387 -6.492 909 H ASP 121 H ASP 121 7.895 -2.334 -7.004 910 HA ASP 121 HA ASP 121 8.024 -2.526 -9.877 911 HB2 ASP 121 2HB ASP 121 6.225 -3.630 -8.733 912 HB3 ASP 121 1HB ASP 121 5.701 -2.128 -7.998 913 H LYS 122 H LYS 122 7.252 0.003 -7.614 914 HA LYS 122 HA LYS 122 7.720 2.042 -9.552 915 HB2 LYS 122 2HB LYS 122 5.348 1.260 -10.013 916 HB3 LYS 122 1HB LYS 122 4.923 1.762 -8.392 917 HG2 LYS 122 2HG LYS 122 5.434 4.077 -8.944 918 HG3 LYS 122 1HG LYS 122 5.933 3.578 -10.565 919 HD2 LYS 122 2HD LYS 122 3.167 3.237 -9.406 920 HD3 LYS 122 1HD LYS 122 3.648 4.489 -10.555 921 HE2 LYS 122 2HE LYS 122 4.280 2.696 -12.158 922 HE3 LYS 122 1HE LYS 122 3.674 1.505 -11.019 923 HZ1 LYS 122 3HZ LYS 122 1.490 2.467 -11.189 924 HZ2 LYS 122 1HZ LYS 122 2.037 2.000 -12.699 925 HZ3 LYS 122 2HZ LYS 122 2.024 3.635 -12.271 926 H TYR 123 H TYR 123 7.437 4.168 -8.399 927 HA TYR 123 HA TYR 123 7.801 3.781 -5.521 928 HB2 TYR 123 2HB TYR 123 9.389 5.605 -5.481 929 HB3 TYR 123 1HB TYR 123 9.915 4.433 -6.685 930 HD1 TYR 123 1HD TYR 123 9.457 4.917 -9.099 931 HD2 TYR 123 2HD TYR 123 8.941 7.812 -6.052 932 HE1 TYR 123 1HE TYR 123 9.457 6.650 -10.775 933 HE2 TYR 123 2HE TYR 123 8.944 9.576 -7.693 934 HH TYR 123 HH TYR 123 9.724 9.970 -9.955 935 H VAL 124 H VAL 124 7.098 5.554 -4.217 936 HA VAL 124 HA VAL 124 5.351 7.519 -5.469 937 HB VAL 124 HB VAL 124 3.663 7.264 -3.647 938 HG11 VAL 124 1HG1 VAL 124 3.178 6.225 -5.767 939 HG12 VAL 124 2HG1 VAL 124 2.556 5.228 -4.454 940 HG13 VAL 124 3HG1 VAL 124 4.043 4.769 -5.282 941 HG21 VAL 124 3HG2 VAL 124 5.161 4.738 -2.948 942 HG22 VAL 124 1HG2 VAL 124 3.615 5.248 -2.266 943 HG23 VAL 124 2HG2 VAL 124 5.072 6.201 -1.966 944 H LEU 125 H LEU 125 4.791 9.174 -3.657 945 HA LEU 125 HA LEU 125 7.303 9.964 -2.524 946 HB2 LEU 125 2HB LEU 125 5.628 11.569 -3.435 947 HB3 LEU 125 1HB LEU 125 4.550 11.145 -2.123 948 HG LEU 125 HG LEU 125 6.239 12.029 -0.517 949 HD11 LEU 125 1HD1 LEU 125 7.619 12.967 -3.021 950 HD12 LEU 125 2HD1 LEU 125 8.235 11.794 -1.852 951 HD13 LEU 125 3HD1 LEU 125 8.008 13.477 -1.381 952 HD21 LEU 125 3HD2 LEU 125 5.785 14.388 -0.990 953 HD22 LEU 125 1HD2 LEU 125 4.349 13.391 -1.224 954 HD23 LEU 125 2HD2 LEU 125 5.270 13.956 -2.619 955 H ASP 126 H ASP 126 7.888 9.960 -0.358 956 HA ASP 126 HA ASP 126 6.515 8.087 1.339 957 HB2 ASP 126 2HB ASP 126 9.046 8.396 1.301 958 HB3 ASP 126 1HB ASP 126 8.787 9.922 2.133 959 H ASN 127 H ASN 127 4.740 8.703 2.335 960 HA ASN 127 HA ASN 127 4.563 11.438 3.428 961 HB2 ASN 127 2HB ASN 127 2.367 9.523 2.610 962 HB3 ASN 127 1HB ASN 127 2.059 10.977 3.548 963 HD21 ASN 127 1HD2 ASN 127 2.225 12.986 2.533 964 HD22 ASN 127 2HD2 ASN 127 2.298 13.135 0.817 965 H GLY 128 H GLY 128 5.806 8.912 4.566 966 HA2 GLY 128 2HA GLY 128 4.116 8.589 6.938 967 HA3 GLY 128 1HA GLY 128 5.397 7.498 6.424 968 H GLN 129 H GLN 129 6.663 10.339 5.833 969 HA GLN 129 HA GLN 129 8.492 10.358 7.940 970 HB2 GLN 129 2HB GLN 129 7.778 12.617 6.076 971 HB3 GLN 129 1HB GLN 129 9.184 12.567 7.117 972 HG2 GLN 129 2HG GLN 129 9.978 10.578 5.880 973 HG3 GLN 129 1HG GLN 129 8.599 10.750 4.792 974 HE21 GLN 129 1HE2 GLN 129 10.452 13.423 6.154 975 HE22 GLN 129 2HE2 GLN 129 11.103 13.972 4.669 976 H GLY 130 H GLY 130 8.665 11.491 9.742 977 HA2 GLY 130 2HA GLY 130 6.496 13.353 10.460 978 HA3 GLY 130 1HA GLY 130 7.050 12.130 11.597 979 H GLY 131 H GLY 131 9.840 12.377 10.803 980 HA2 GLY 131 2HA GLY 131 11.473 14.182 10.769 981 HA3 GLY 131 1HA GLY 131 10.429 15.033 11.905 982 H ALA 132 H ALA 132 13.140 14.474 12.369 983 HA ALA 132 HA ALA 132 13.172 12.290 14.269 984 HB1 ALA 132 1HB ALA 132 15.327 14.277 13.528 985 HB2 ALA 132 2HB ALA 132 15.137 12.665 12.841 986 HB3 ALA 132 3HB ALA 132 15.544 12.855 14.548 987 H GLY 133 H GLY 133 12.116 12.726 16.074 988 HA2 GLY 133 2HA GLY 133 11.827 15.320 17.194 989 HA3 GLY 133 1HA GLY 133 11.388 13.795 17.957 990 H SER 134 H SER 134 13.575 16.361 17.875 991 HA SER 134 HA SER 134 14.889 15.345 20.195 992 HB2 SER 134 2HB SER 134 16.213 14.478 18.162 993 HB3 SER 134 1HB SER 134 16.574 16.158 17.790 994 HG SER 134 HG SER 134 17.791 16.323 19.571 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -7.061 15.596 -12.871 2 H2 MET 1 2HT MET 1 -6.190 14.372 -12.128 3 H3 MET 1 3HT MET 1 -7.833 14.557 -11.800 4 HA MET 1 HA MET 1 -8.383 14.051 -14.076 5 HB2 MET 1 2HB MET 1 -6.312 14.773 -15.159 6 HB3 MET 1 1HB MET 1 -5.407 13.521 -14.321 7 HG2 MET 1 2HG MET 1 -6.740 11.809 -15.534 8 HG3 MET 1 1HG MET 1 -7.517 13.105 -16.434 9 HE1 MET 1 2HE MET 1 -6.832 11.886 -18.699 10 HE2 MET 1 3HE MET 1 -6.043 10.611 -17.772 11 HE3 MET 1 1HE MET 1 -5.179 11.410 -19.086 12 H GLY 2 H GLY 2 -9.585 12.478 -13.039 13 HA2 GLY 2 2HA GLY 2 -10.143 10.261 -12.886 14 HA3 GLY 2 1HA GLY 2 -8.493 9.837 -13.295 15 H GLU 3 H GLU 3 -7.027 10.814 -11.318 16 HA GLU 3 HA GLU 3 -7.023 8.934 -9.318 17 HB2 GLU 3 2HB GLU 3 -6.099 11.785 -8.992 18 HB3 GLU 3 1HB GLU 3 -5.597 10.398 -8.040 19 HG2 GLU 3 2HG GLU 3 -5.084 10.753 -10.973 20 HG3 GLU 3 1HG GLU 3 -3.934 11.104 -9.690 21 H ASN 4 H ASN 4 -8.325 8.502 -7.648 22 HA ASN 4 HA ASN 4 -9.747 10.626 -6.272 23 HB2 ASN 4 2HB ASN 4 -11.109 9.486 -8.286 24 HB3 ASN 4 1HB ASN 4 -11.297 8.182 -7.129 25 HD21 ASN 4 1HD2 ASN 4 -12.124 11.410 -7.920 26 HD22 ASN 4 2HD2 ASN 4 -13.368 11.611 -6.745 27 H LYS 5 H LYS 5 -7.573 9.243 -5.610 28 HA LYS 5 HA LYS 5 -7.639 6.771 -4.429 29 HB2 LYS 5 2HB LYS 5 -5.828 7.548 -2.888 30 HB3 LYS 5 1HB LYS 5 -5.543 7.864 -4.592 31 HG2 LYS 5 2HG LYS 5 -6.110 10.203 -4.293 32 HG3 LYS 5 1HG LYS 5 -6.563 9.907 -2.619 33 HD2 LYS 5 2HD LYS 5 -3.782 9.518 -3.748 34 HD3 LYS 5 1HD LYS 5 -4.314 10.952 -2.876 35 HE2 LYS 5 2HE LYS 5 -4.217 8.137 -1.751 36 HE3 LYS 5 1HE LYS 5 -3.055 9.415 -1.433 37 HZ1 LYS 5 3HZ LYS 5 -4.806 10.713 -0.392 38 HZ2 LYS 5 1HZ LYS 5 -4.653 9.249 0.382 39 HZ3 LYS 5 2HZ LYS 5 -5.944 9.552 -0.662 40 H VAL 6 H VAL 6 -9.441 6.183 -3.348 41 HA VAL 6 HA VAL 6 -10.538 7.687 -1.241 42 HB VAL 6 HB VAL 6 -11.927 6.196 -2.570 43 HG11 VAL 6 1HG1 VAL 6 -10.417 4.393 -3.050 44 HG12 VAL 6 2HG1 VAL 6 -11.880 3.751 -2.297 45 HG13 VAL 6 3HG1 VAL 6 -10.399 3.909 -1.354 46 HG21 VAL 6 3HG2 VAL 6 -12.729 6.733 -0.350 47 HG22 VAL 6 1HG2 VAL 6 -11.840 5.371 0.331 48 HG23 VAL 6 2HG2 VAL 6 -13.191 5.080 -0.762 49 H CYS 7 H CYS 7 -9.911 7.877 0.699 50 HA CYS 7 HA CYS 7 -8.113 5.951 2.013 51 HB2 CYS 7 2HB CYS 7 -7.866 7.850 3.612 52 HB3 CYS 7 1HB CYS 7 -7.312 8.236 1.981 53 HG CYS 7 HG CYS 7 -9.243 9.998 1.364 54 H GLY 8 H GLY 8 -8.735 5.865 4.498 55 HA2 GLY 8 2HA GLY 8 -10.249 4.060 5.178 56 HA3 GLY 8 1HA GLY 8 -10.549 5.548 6.038 57 H LEU 9 H LEU 9 -12.596 6.233 6.122 58 HA LEU 9 HA LEU 9 -14.722 6.659 5.573 59 HB2 LEU 9 2HB LEU 9 -14.060 7.094 3.305 60 HB3 LEU 9 1HB LEU 9 -13.937 5.393 2.954 61 HG LEU 9 HG LEU 9 -16.422 5.263 3.198 62 HD11 LEU 9 1HD1 LEU 9 -16.780 7.239 4.549 63 HD12 LEU 9 2HD1 LEU 9 -17.679 7.362 3.038 64 HD13 LEU 9 3HD1 LEU 9 -16.177 8.264 3.250 65 HD21 LEU 9 3HD2 LEU 9 -16.794 6.162 0.994 66 HD22 LEU 9 1HD2 LEU 9 -15.229 5.371 1.082 67 HD23 LEU 9 2HD2 LEU 9 -15.327 7.131 1.121 68 H THR 10 H THR 10 -16.803 5.493 5.228 69 HA THR 10 HA THR 10 -16.595 2.638 5.808 70 HB THR 10 HB THR 10 -16.705 3.629 8.014 71 HG1 THR 10 1HG THR 10 -18.525 1.953 7.128 72 HG21 THR 10 3HG2 THR 10 -19.207 5.062 7.106 73 HG22 THR 10 1HG2 THR 10 -17.635 5.813 7.390 74 HG23 THR 10 2HG2 THR 10 -18.520 5.092 8.731 75 H ARG 11 H ARG 11 -18.139 5.168 4.148 76 HA ARG 11 HA ARG 11 -20.557 3.647 3.894 77 HB2 ARG 11 2HB ARG 11 -20.000 6.465 3.042 78 HB3 ARG 11 1HB ARG 11 -21.532 5.629 2.807 79 HG2 ARG 11 2HG ARG 11 -20.188 6.005 5.404 80 HG3 ARG 11 1HG ARG 11 -21.492 7.095 4.848 81 HD2 ARG 11 2HD ARG 11 -21.594 4.140 5.568 82 HD3 ARG 11 1HD ARG 11 -22.313 5.468 6.457 83 HE ARG 11 HE ARG 11 -23.319 5.216 3.770 84 HH11 ARG 11 1HH1 ARG 11 -23.720 4.069 7.102 85 HH12 ARG 11 2HH1 ARG 11 -25.354 3.673 6.911 86 HH21 ARG 11 1HH2 ARG 11 -25.549 4.619 3.494 87 HH22 ARG 11 2HH2 ARG 11 -26.419 4.004 4.808 88 H GLY 12 H GLY 12 -20.603 2.227 2.360 89 HA2 GLY 12 2HA GLY 12 -18.966 1.788 0.238 90 HA3 GLY 12 1HA GLY 12 -20.660 1.315 0.356 91 H GLN 13 H GLN 13 -21.895 3.717 0.260 92 HA GLN 13 HA GLN 13 -22.279 4.220 -2.470 93 HB2 GLN 13 2HB GLN 13 -22.760 6.352 -0.386 94 HB3 GLN 13 1HB GLN 13 -23.621 6.103 -1.882 95 HG2 GLN 13 2HG GLN 13 -25.098 5.550 -0.125 96 HG3 GLN 13 1HG GLN 13 -24.593 4.014 -0.820 97 HE21 GLN 13 1HE2 GLN 13 -23.392 2.621 0.417 98 HE22 GLN 13 2HE2 GLN 13 -23.031 2.864 2.070 99 H ASP 14 H ASP 14 -20.342 5.699 -0.057 100 HA ASP 14 HA ASP 14 -19.600 8.023 -1.592 101 HB2 ASP 14 2HB ASP 14 -19.990 7.934 0.885 102 HB3 ASP 14 1HB ASP 14 -18.556 6.995 1.073 103 H ALA 15 H ALA 15 -18.339 4.916 -0.752 104 HA ALA 15 HA ALA 15 -15.649 5.314 -1.628 105 HB1 ALA 15 1HB ALA 15 -15.459 2.867 -1.418 106 HB2 ALA 15 2HB ALA 15 -17.213 2.771 -1.152 107 HB3 ALA 15 3HB ALA 15 -16.200 3.587 0.018 108 H LYS 16 H LYS 16 -18.612 4.159 -3.092 109 HA LYS 16 HA LYS 16 -17.537 2.978 -5.405 110 HB2 LYS 16 2HB LYS 16 -20.206 4.359 -5.178 111 HB3 LYS 16 1HB LYS 16 -19.744 3.237 -6.451 112 HG2 LYS 16 2HG LYS 16 -19.490 1.533 -4.589 113 HG3 LYS 16 1HG LYS 16 -20.274 2.718 -3.551 114 HD2 LYS 16 2HD LYS 16 -21.456 1.400 -6.020 115 HD3 LYS 16 1HD LYS 16 -21.898 1.091 -4.354 116 HE2 LYS 16 2HE LYS 16 -23.629 2.453 -5.192 117 HE3 LYS 16 1HE LYS 16 -22.615 3.552 -4.273 118 HZ1 LYS 16 3HZ LYS 16 -23.300 4.507 -6.397 119 HZ2 LYS 16 1HZ LYS 16 -22.571 3.248 -7.238 120 HZ3 LYS 16 2HZ LYS 16 -21.647 4.356 -6.357 121 H ALA 17 H ALA 17 -17.952 6.275 -4.567 122 HA ALA 17 HA ALA 17 -18.018 7.397 -7.138 123 HB1 ALA 17 1HB ALA 17 -18.674 8.616 -5.138 124 HB2 ALA 17 2HB ALA 17 -17.429 9.484 -6.037 125 HB3 ALA 17 3HB ALA 17 -17.004 8.592 -4.575 126 H ALA 18 H ALA 18 -15.372 6.344 -5.101 127 HA ALA 18 HA ALA 18 -13.292 7.592 -6.581 128 HB1 ALA 18 1HB ALA 18 -13.246 5.172 -4.785 129 HB2 ALA 18 2HB ALA 18 -13.023 6.849 -4.286 130 HB3 ALA 18 3HB ALA 18 -11.822 6.074 -5.324 131 H TYR 19 H TYR 19 -14.935 4.644 -6.701 132 HA TYR 19 HA TYR 19 -13.375 3.456 -8.824 133 HB2 TYR 19 2HB TYR 19 -14.223 1.713 -7.731 134 HB3 TYR 19 1HB TYR 19 -15.535 2.632 -7.041 135 HD1 TYR 19 2HD TYR 19 -14.363 0.611 -9.866 136 HD2 TYR 19 1HD TYR 19 -17.735 2.516 -8.140 137 HE1 TYR 19 2HE TYR 19 -15.849 -0.621 -11.400 138 HE2 TYR 19 1HE TYR 19 -19.222 1.297 -9.664 139 HH TYR 19 HH TYR 19 -19.048 0.232 -11.886 140 H ASP 20 H ASP 20 -16.247 5.315 -8.522 141 HA ASP 20 HA ASP 20 -17.221 5.070 -11.172 142 HB2 ASP 20 2HB ASP 20 -18.586 5.955 -9.309 143 HB3 ASP 20 1HB ASP 20 -17.541 7.370 -9.231 144 H ALA 21 H ALA 21 -14.680 6.861 -9.776 145 HA ALA 21 HA ALA 21 -14.272 8.784 -11.790 146 HB1 ALA 21 1HB ALA 21 -12.289 7.512 -9.919 147 HB2 ALA 21 2HB ALA 21 -13.256 8.949 -9.585 148 HB3 ALA 21 3HB ALA 21 -12.027 8.981 -10.854 149 H GLY 22 H GLY 22 -13.569 5.388 -11.630 150 HA2 GLY 22 2HA GLY 22 -13.378 4.830 -14.207 151 HA3 GLY 22 1HA GLY 22 -11.813 5.583 -13.961 152 H ALA 23 H ALA 23 -12.967 3.807 -11.280 153 HA ALA 23 HA ALA 23 -12.218 1.956 -10.193 154 HB1 ALA 23 1HB ALA 23 -12.061 0.795 -12.989 155 HB2 ALA 23 2HB ALA 23 -13.510 0.845 -11.987 156 HB3 ALA 23 3HB ALA 23 -12.125 -0.126 -11.487 157 H ILE 24 H ILE 24 -10.335 3.919 -11.066 158 HA ILE 24 HA ILE 24 -7.995 2.812 -12.125 159 HB ILE 24 HB ILE 24 -8.233 5.331 -10.465 160 HG12 ILE 24 2HG1 ILE 24 -8.447 4.914 -13.461 161 HG13 ILE 24 1HG1 ILE 24 -9.778 5.323 -12.385 162 HG21 ILE 24 1HG2 ILE 24 -6.190 6.026 -11.654 163 HG22 ILE 24 2HG2 ILE 24 -6.135 4.468 -12.475 164 HG23 ILE 24 3HG2 ILE 24 -5.914 4.550 -10.729 165 HD11 ILE 24 3HD1 ILE 24 -9.010 7.258 -13.625 166 HD12 ILE 24 1HD1 ILE 24 -7.382 7.046 -12.980 167 HD13 ILE 24 2HD1 ILE 24 -8.711 7.461 -11.897 168 H TYR 25 H TYR 25 -8.447 3.956 -8.835 169 HA TYR 25 HA TYR 25 -7.220 1.775 -7.492 170 HB2 TYR 25 2HB TYR 25 -4.971 2.161 -7.714 171 HB3 TYR 25 1HB TYR 25 -5.388 3.272 -8.990 172 HD1 TYR 25 2HD TYR 25 -4.515 2.902 -5.515 173 HD2 TYR 25 1HD TYR 25 -5.217 5.628 -8.670 174 HE1 TYR 25 2HE TYR 25 -3.556 4.594 -4.195 175 HE2 TYR 25 1HE TYR 25 -4.229 7.420 -7.370 176 HH TYR 25 HH TYR 25 -3.713 7.989 -5.143 177 H GLY 26 H GLY 26 -7.051 2.142 -5.305 178 HA2 GLY 26 2HA GLY 26 -8.174 4.676 -4.334 179 HA3 GLY 26 1HA GLY 26 -8.653 3.109 -3.662 180 H GLY 27 H GLY 27 -7.253 5.388 -2.325 181 HA2 GLY 27 2HA GLY 27 -4.668 4.069 -1.808 182 HA3 GLY 27 1HA GLY 27 -4.840 5.816 -1.877 183 H LEU 28 H LEU 28 -5.620 2.937 -0.087 184 HA LEU 28 HA LEU 28 -6.143 4.625 2.184 185 HB2 LEU 28 2HB LEU 28 -7.679 2.858 3.086 186 HB3 LEU 28 1HB LEU 28 -8.286 3.716 1.703 187 HG LEU 28 HG LEU 28 -8.991 1.418 1.644 188 HD11 LEU 28 1HD1 LEU 28 -8.661 2.375 -0.505 189 HD12 LEU 28 2HD1 LEU 28 -8.268 0.661 -0.535 190 HD13 LEU 28 3HD1 LEU 28 -6.976 1.857 -0.523 191 HD21 LEU 28 3HD2 LEU 28 -6.095 0.588 1.622 192 HD22 LEU 28 1HD2 LEU 28 -7.477 -0.489 1.433 193 HD23 LEU 28 2HD2 LEU 28 -7.226 0.368 2.960 194 H ILE 29 H ILE 29 -5.282 4.086 4.020 195 HA ILE 29 HA ILE 29 -3.349 1.903 3.829 196 HB ILE 29 HB ILE 29 -2.242 3.051 5.887 197 HG12 ILE 29 2HG1 ILE 29 -3.455 5.402 4.412 198 HG13 ILE 29 1HG1 ILE 29 -3.905 4.895 6.034 199 HG21 ILE 29 1HG2 ILE 29 -1.871 3.846 3.031 200 HG22 ILE 29 2HG2 ILE 29 -1.281 2.419 3.885 201 HG23 ILE 29 3HG2 ILE 29 -0.673 4.028 4.341 202 HD11 ILE 29 3HD1 ILE 29 -1.642 5.418 6.804 203 HD12 ILE 29 1HD1 ILE 29 -2.428 6.819 6.080 204 HD13 ILE 29 2HD1 ILE 29 -1.210 5.922 5.170 205 H PHE 30 H PHE 30 -2.714 0.716 5.561 206 HA PHE 30 HA PHE 30 -5.123 -0.302 6.838 207 HB2 PHE 30 2HB PHE 30 -2.351 -1.439 7.249 208 HB3 PHE 30 1HB PHE 30 -3.885 -2.237 7.499 209 HD1 PHE 30 1HD PHE 30 -5.176 -3.073 5.515 210 HD2 PHE 30 2HD PHE 30 -1.300 -1.336 5.178 211 HE1 PHE 30 1HE PHE 30 -4.900 -4.060 3.229 212 HE2 PHE 30 2HE PHE 30 -1.036 -2.307 2.964 213 HZ PHE 30 HZ PHE 30 -2.806 -3.648 1.976 214 H VAL 31 H VAL 31 -5.381 1.611 8.309 215 HA VAL 31 HA VAL 31 -3.671 1.147 10.626 216 HB VAL 31 HB VAL 31 -5.273 3.669 10.038 217 HG11 VAL 31 1HG1 VAL 31 -5.103 3.198 12.413 218 HG12 VAL 31 2HG1 VAL 31 -4.150 4.621 11.984 219 HG13 VAL 31 3HG1 VAL 31 -3.345 3.079 12.286 220 HG21 VAL 31 3HG2 VAL 31 -2.285 3.226 9.971 221 HG22 VAL 31 1HG2 VAL 31 -3.098 4.776 9.750 222 HG23 VAL 31 2HG2 VAL 31 -3.322 3.482 8.570 223 H ALA 32 H ALA 32 -4.558 0.467 12.403 224 HA ALA 32 HA ALA 32 -6.887 -1.002 12.221 225 HB1 ALA 32 1HB ALA 32 -6.612 -1.477 14.570 226 HB2 ALA 32 2HB ALA 32 -5.485 -0.127 14.734 227 HB3 ALA 32 3HB ALA 32 -5.054 -1.522 13.745 228 H THR 33 H THR 33 -8.712 -0.123 11.823 229 HA THR 33 HA THR 33 -10.761 0.659 12.178 230 HB THR 33 HB THR 33 -11.587 1.145 14.489 231 HG1 THR 33 1HG THR 33 -8.925 1.379 14.984 232 HG21 THR 33 3HG2 THR 33 -11.546 -1.145 13.637 233 HG22 THR 33 1HG2 THR 33 -11.215 -1.106 15.371 234 HG23 THR 33 2HG2 THR 33 -9.894 -1.329 14.219 235 H SER 34 H SER 34 -8.501 2.636 11.588 236 HA SER 34 HA SER 34 -9.543 5.065 12.699 237 HB2 SER 34 2HB SER 34 -7.765 6.039 11.183 238 HB3 SER 34 1HB SER 34 -7.189 4.908 12.413 239 HG SER 34 HG SER 34 -7.921 3.767 10.000 240 HA PRO 35 HA PRO 35 -12.557 5.329 9.417 241 HB2 PRO 35 2HB PRO 35 -13.355 7.916 9.825 242 HB3 PRO 35 1HB PRO 35 -13.942 6.548 10.776 243 HG2 PRO 35 2HG PRO 35 -11.806 8.532 11.431 244 HG3 PRO 35 1HG PRO 35 -13.048 7.836 12.484 245 HD2 PRO 35 2HD PRO 35 -10.488 6.979 12.526 246 HD3 PRO 35 1HD PRO 35 -11.852 5.883 12.811 247 H ARG 36 H ARG 36 -9.703 7.184 9.462 248 HA ARG 36 HA ARG 36 -10.311 7.910 6.692 249 HB2 ARG 36 2HB ARG 36 -8.353 9.231 8.570 250 HB3 ARG 36 1HB ARG 36 -8.475 9.598 6.856 251 HG2 ARG 36 2HG ARG 36 -10.637 9.998 8.921 252 HG3 ARG 36 1HG ARG 36 -9.645 11.263 8.196 253 HD2 ARG 36 2HD ARG 36 -10.598 10.708 5.981 254 HD3 ARG 36 1HD ARG 36 -11.598 9.471 6.743 255 HE ARG 36 HE ARG 36 -11.849 12.196 7.714 256 HH11 ARG 36 1HH1 ARG 36 -13.245 9.663 5.651 257 HH12 ARG 36 2HH1 ARG 36 -14.813 10.343 5.670 258 HH21 ARG 36 1HH2 ARG 36 -14.010 13.117 7.676 259 HH22 ARG 36 2HH2 ARG 36 -15.249 12.309 6.831 260 H CYS 37 H CYS 37 -9.071 5.353 8.041 261 HA CYS 37 HA CYS 37 -7.279 4.864 5.856 262 HB2 CYS 37 2HB CYS 37 -6.406 4.614 8.742 263 HB3 CYS 37 1HB CYS 37 -5.483 4.015 7.366 264 HG CYS 37 HG CYS 37 -6.116 7.137 6.871 265 H VAL 38 H VAL 38 -7.883 2.822 5.154 266 HA VAL 38 HA VAL 38 -9.562 1.359 7.016 267 HB VAL 38 HB VAL 38 -9.915 2.055 4.184 268 HG11 VAL 38 1HG1 VAL 38 -9.357 -0.297 3.787 269 HG12 VAL 38 2HG1 VAL 38 -11.077 -0.003 3.522 270 HG13 VAL 38 3HG1 VAL 38 -10.531 -0.787 5.005 271 HG21 VAL 38 3HG2 VAL 38 -11.771 0.972 6.276 272 HG22 VAL 38 1HG2 VAL 38 -12.246 1.698 4.748 273 HG23 VAL 38 2HG2 VAL 38 -11.445 2.676 5.978 274 H ASN 39 H ASN 39 -9.361 -0.649 7.396 275 HA ASN 39 HA ASN 39 -6.940 -1.989 6.443 276 HB2 ASN 39 2HB ASN 39 -7.255 -3.439 8.534 277 HB3 ASN 39 1HB ASN 39 -6.601 -1.841 8.765 278 HD21 ASN 39 1HD2 ASN 39 -9.088 -3.973 9.378 279 HD22 ASN 39 2HD2 ASN 39 -10.042 -2.948 10.412 280 H VAL 40 H VAL 40 -7.143 -4.422 6.640 281 HA VAL 40 HA VAL 40 -8.605 -5.043 4.375 282 HB VAL 40 HB VAL 40 -6.609 -6.266 5.176 283 HG11 VAL 40 1HG1 VAL 40 -6.816 -8.123 6.740 284 HG12 VAL 40 2HG1 VAL 40 -8.480 -7.644 7.075 285 HG13 VAL 40 3HG1 VAL 40 -7.150 -6.564 7.498 286 HG21 VAL 40 3HG2 VAL 40 -8.961 -8.018 4.557 287 HG22 VAL 40 1HG2 VAL 40 -7.269 -8.488 4.410 288 HG23 VAL 40 2HG2 VAL 40 -7.919 -7.201 3.393 289 H GLU 41 H GLU 41 -9.516 -5.239 7.665 290 HA GLU 41 HA GLU 41 -11.703 -6.878 7.559 291 HB2 GLU 41 2HB GLU 41 -10.901 -4.626 9.280 292 HB3 GLU 41 1HB GLU 41 -12.359 -5.569 9.588 293 HG2 GLU 41 2HG GLU 41 -10.868 -6.676 10.885 294 HG3 GLU 41 1HG GLU 41 -10.739 -7.577 9.411 295 H GLN 42 H GLN 42 -11.652 -3.238 7.519 296 HA GLN 42 HA GLN 42 -14.386 -2.992 6.791 297 HB2 GLN 42 2HB GLN 42 -12.071 -1.084 6.465 298 HB3 GLN 42 1HB GLN 42 -13.756 -0.690 6.257 299 HG2 GLN 42 2HG GLN 42 -14.261 -0.766 8.486 300 HG3 GLN 42 1HG GLN 42 -12.957 -1.906 8.840 301 HE21 GLN 42 1HE2 GLN 42 -11.018 -1.163 9.247 302 HE22 GLN 42 2HE2 GLN 42 -10.664 0.502 9.414 303 H ALA 43 H ALA 43 -11.384 -3.115 5.075 304 HA ALA 43 HA ALA 43 -12.226 -2.275 2.553 305 HB1 ALA 43 1HB ALA 43 -10.036 -4.208 3.222 306 HB2 ALA 43 2HB ALA 43 -9.905 -2.450 3.295 307 HB3 ALA 43 3HB ALA 43 -10.178 -3.248 1.747 308 H GLN 44 H GLN 44 -12.439 -5.320 4.135 309 HA GLN 44 HA GLN 44 -13.013 -7.049 2.039 310 HB2 GLN 44 2HB GLN 44 -12.702 -7.342 4.643 311 HB3 GLN 44 1HB GLN 44 -14.472 -7.486 4.586 312 HG2 GLN 44 2HG GLN 44 -13.507 -9.652 4.440 313 HG3 GLN 44 1HG GLN 44 -14.099 -9.236 2.828 314 HE21 GLN 44 1HE2 GLN 44 -11.220 -7.787 4.222 315 HE22 GLN 44 2HE2 GLN 44 -10.110 -8.532 3.213 316 H GLU 45 H GLU 45 -15.221 -4.873 3.809 317 HA GLU 45 HA GLU 45 -17.475 -5.865 2.288 318 HB2 GLU 45 2HB GLU 45 -18.764 -4.254 3.568 319 HB3 GLU 45 1HB GLU 45 -17.630 -5.209 4.588 320 HG2 GLU 45 2HG GLU 45 -16.178 -3.246 4.683 321 HG3 GLU 45 1HG GLU 45 -17.375 -2.338 3.767 322 H VAL 46 H VAL 46 -15.622 -3.160 2.640 323 HA VAL 46 HA VAL 46 -16.533 -1.350 0.763 324 HB VAL 46 HB VAL 46 -13.939 -1.853 2.111 325 HG11 VAL 46 1HG1 VAL 46 -14.328 0.461 0.218 326 HG12 VAL 46 2HG1 VAL 46 -13.246 -0.935 -0.034 327 HG13 VAL 46 3HG1 VAL 46 -12.979 0.156 1.339 328 HG21 VAL 46 3HG2 VAL 46 -15.703 -0.901 3.384 329 HG22 VAL 46 1HG2 VAL 46 -15.910 0.396 2.206 330 HG23 VAL 46 2HG2 VAL 46 -14.426 0.299 3.160 331 H MET 47 H MET 47 -14.392 -4.121 0.156 332 HA MET 47 HA MET 47 -13.644 -3.480 -2.488 333 HB2 MET 47 2HB MET 47 -13.131 -5.851 -2.850 334 HB3 MET 47 1HB MET 47 -12.576 -5.366 -1.256 335 HG2 MET 47 2HG MET 47 -14.310 -6.540 -0.185 336 HG3 MET 47 1HG MET 47 -15.223 -6.714 -1.675 337 HE1 MET 47 3HE MET 47 -11.993 -7.812 0.275 338 HE2 MET 47 1HE MET 47 -11.327 -7.383 -1.302 339 HE3 MET 47 2HE MET 47 -11.331 -9.068 -0.777 340 H ALA 48 H ALA 48 -16.574 -4.798 -1.197 341 HA ALA 48 HA ALA 48 -17.587 -5.648 -3.753 342 HB1 ALA 48 1HB ALA 48 -18.923 -5.478 -1.049 343 HB2 ALA 48 2HB ALA 48 -18.143 -6.905 -1.725 344 HB3 ALA 48 3HB ALA 48 -19.602 -6.253 -2.482 345 H ALA 49 H ALA 49 -17.315 -2.766 -2.096 346 HA ALA 49 HA ALA 49 -19.742 -1.635 -3.200 347 HB1 ALA 49 1HB ALA 49 -17.577 -0.353 -1.524 348 HB2 ALA 49 2HB ALA 49 -19.098 -1.000 -0.914 349 HB3 ALA 49 3HB ALA 49 -19.102 0.400 -1.988 350 H ALA 50 H ALA 50 -16.127 -1.250 -3.496 351 HA ALA 50 HA ALA 50 -16.666 -0.046 -6.027 352 HB1 ALA 50 1HB ALA 50 -16.217 1.729 -4.424 353 HB2 ALA 50 2HB ALA 50 -14.870 1.541 -5.541 354 HB3 ALA 50 3HB ALA 50 -14.750 0.901 -3.906 355 HA PRO 51 HA PRO 51 -13.702 -3.467 -6.537 356 HB2 PRO 51 2HB PRO 51 -14.319 -3.973 -9.136 357 HB3 PRO 51 1HB PRO 51 -15.278 -4.591 -7.786 358 HG2 PRO 51 2HG PRO 51 -15.792 -2.237 -9.547 359 HG3 PRO 51 1HG PRO 51 -16.929 -3.456 -8.946 360 HD2 PRO 51 2HD PRO 51 -16.662 -0.975 -7.865 361 HD3 PRO 51 1HD PRO 51 -17.186 -2.388 -6.928 362 H LEU 52 H LEU 52 -12.721 -1.076 -6.378 363 HA LEU 52 HA LEU 52 -11.242 -0.463 -8.821 364 HB2 LEU 52 2HB LEU 52 -10.347 1.399 -7.263 365 HB3 LEU 52 1HB LEU 52 -11.940 1.618 -7.934 366 HG LEU 52 HG LEU 52 -12.694 0.538 -5.649 367 HD11 LEU 52 1HD1 LEU 52 -11.296 1.060 -3.763 368 HD12 LEU 52 2HD1 LEU 52 -9.988 1.532 -4.856 369 HD13 LEU 52 3HD1 LEU 52 -10.566 -0.139 -4.831 370 HD21 LEU 52 3HD2 LEU 52 -11.695 3.374 -5.826 371 HD22 LEU 52 1HD2 LEU 52 -12.750 2.733 -4.561 372 HD23 LEU 52 2HD2 LEU 52 -13.321 2.760 -6.212 373 H GLN 53 H GLN 53 -8.804 0.062 -8.352 374 HA GLN 53 HA GLN 53 -7.607 -2.299 -7.335 375 HB2 GLN 53 2HB GLN 53 -6.256 -1.519 -9.011 376 HB3 GLN 53 1HB GLN 53 -6.816 0.130 -8.760 377 HG2 GLN 53 2HG GLN 53 -5.377 0.405 -6.927 378 HG3 GLN 53 1HG GLN 53 -4.809 -1.250 -7.048 379 HE21 GLN 53 1HE2 GLN 53 -2.726 -0.346 -7.228 380 HE22 GLN 53 2HE2 GLN 53 -2.133 0.280 -8.737 381 H TYR 54 H TYR 54 -6.368 -2.559 -5.456 382 HA TYR 54 HA TYR 54 -6.692 -0.413 -3.486 383 HB2 TYR 54 2HB TYR 54 -6.317 -3.352 -2.884 384 HB3 TYR 54 1HB TYR 54 -6.888 -2.095 -1.787 385 HD1 TYR 54 2HD TYR 54 -9.223 -1.118 -2.222 386 HD2 TYR 54 1HD TYR 54 -7.782 -4.614 -4.167 387 HE1 TYR 54 2HE TYR 54 -11.523 -1.713 -2.869 388 HE2 TYR 54 1HE TYR 54 -10.059 -5.212 -4.817 389 HH TYR 54 HH TYR 54 -12.662 -3.004 -4.514 390 H VAL 55 H VAL 55 -4.854 0.192 -2.369 391 HA VAL 55 HA VAL 55 -2.430 -1.291 -2.957 392 HB VAL 55 HB VAL 55 -2.467 0.753 -4.396 393 HG11 VAL 55 1HG1 VAL 55 -2.545 2.278 -1.805 394 HG12 VAL 55 2HG1 VAL 55 -3.808 2.228 -3.039 395 HG13 VAL 55 3HG1 VAL 55 -2.250 2.975 -3.398 396 HG21 VAL 55 3HG2 VAL 55 -0.258 1.599 -3.806 397 HG22 VAL 55 1HG2 VAL 55 -0.326 -0.151 -3.596 398 HG23 VAL 55 2HG2 VAL 55 -0.413 0.890 -2.195 399 H GLY 56 H GLY 56 -0.948 -1.278 -1.284 400 HA2 GLY 56 2HA GLY 56 -2.012 -0.231 1.269 401 HA3 GLY 56 1HA GLY 56 -1.289 -1.844 1.064 402 H VAL 57 H VAL 57 -0.722 0.995 2.347 403 HA VAL 57 HA VAL 57 2.162 0.817 1.811 404 HB VAL 57 HB VAL 57 0.653 3.184 2.963 405 HG11 VAL 57 1HG1 VAL 57 2.715 4.439 2.521 406 HG12 VAL 57 2HG1 VAL 57 3.491 2.945 1.992 407 HG13 VAL 57 3HG1 VAL 57 2.929 3.115 3.658 408 HG21 VAL 57 3HG2 VAL 57 0.943 4.313 0.805 409 HG22 VAL 57 1HG2 VAL 57 -0.027 2.851 0.645 410 HG23 VAL 57 2HG2 VAL 57 1.660 2.847 0.133 411 H PHE 58 H PHE 58 3.211 -0.157 3.484 412 HA PHE 58 HA PHE 58 2.229 0.265 6.186 413 HB2 PHE 58 2HB PHE 58 0.919 -1.640 5.234 414 HB3 PHE 58 1HB PHE 58 2.423 -2.481 4.917 415 HD1 PHE 58 1HD PHE 58 0.502 -0.946 7.713 416 HD2 PHE 58 2HD PHE 58 3.184 -4.004 6.477 417 HE1 PHE 58 1HE PHE 58 0.337 -1.983 9.936 418 HE2 PHE 58 2HE PHE 58 3.029 -5.045 8.694 419 HZ PHE 58 HZ PHE 58 1.604 -4.037 10.429 420 H ARG 59 H ARG 59 3.845 -0.253 7.760 421 HA ARG 59 HA ARG 59 6.501 -0.548 6.666 422 HB2 ARG 59 2HB ARG 59 7.290 -0.250 9.023 423 HB3 ARG 59 1HB ARG 59 6.253 1.066 8.506 424 HG2 ARG 59 2HG ARG 59 4.396 0.116 9.760 425 HG3 ARG 59 1HG ARG 59 5.398 -1.254 10.234 426 HD2 ARG 59 2HD ARG 59 6.936 0.351 11.342 427 HD3 ARG 59 1HD ARG 59 5.784 1.639 10.979 428 HE ARG 59 HE ARG 59 4.712 -0.639 12.386 429 HH11 ARG 59 1HH1 ARG 59 5.949 2.665 12.664 430 HH12 ARG 59 2HH1 ARG 59 5.456 2.862 14.276 431 HH21 ARG 59 1HH2 ARG 59 4.045 -0.388 14.545 432 HH22 ARG 59 2HH2 ARG 59 4.329 1.068 15.390 433 H ASN 60 H ASN 60 6.693 -2.521 5.907 434 HA ASN 60 HA ASN 60 5.375 -4.711 6.918 435 HB2 ASN 60 2HB ASN 60 7.554 -4.407 4.879 436 HB3 ASN 60 1HB ASN 60 6.831 -5.956 5.286 437 HD21 ASN 60 1HD2 ASN 60 6.120 -6.163 3.178 438 HD22 ASN 60 2HD2 ASN 60 4.770 -5.265 2.570 439 H HIS 61 H HIS 61 5.807 -5.502 8.497 440 HA HIS 61 HA HIS 61 8.537 -6.250 9.277 441 HB2 HIS 61 2HB HIS 61 7.501 -6.945 11.550 442 HB3 HIS 61 1HB HIS 61 7.676 -5.224 11.245 443 HD1 HIS 61 1HD HIS 61 5.120 -7.906 12.044 444 HD2 HIS 61 2HD HIS 61 5.206 -3.885 10.899 445 HE1 HIS 61 1HE HIS 61 2.850 -6.986 12.507 446 H ASP 62 H ASP 62 5.437 -7.798 9.829 447 HA ASP 62 HA ASP 62 6.561 -10.369 9.272 448 HB2 ASP 62 2HB ASP 62 3.792 -9.454 9.965 449 HB3 ASP 62 1HB ASP 62 4.078 -11.097 9.408 450 H ILE 63 H ILE 63 7.063 -10.861 7.259 451 HA ILE 63 HA ILE 63 5.775 -9.793 5.025 452 HB ILE 63 HB ILE 63 8.038 -10.674 4.857 453 HG12 ILE 63 2HG1 ILE 63 6.263 -12.434 3.185 454 HG13 ILE 63 1HG1 ILE 63 6.443 -10.714 2.891 455 HG21 ILE 63 1HG2 ILE 63 8.491 -13.102 4.920 456 HG22 ILE 63 2HG2 ILE 63 6.806 -13.372 5.388 457 HG23 ILE 63 3HG2 ILE 63 7.880 -12.486 6.461 458 HD11 ILE 63 3HD1 ILE 63 8.837 -11.038 2.481 459 HD12 ILE 63 1HD1 ILE 63 7.884 -12.066 1.426 460 HD13 ILE 63 2HD1 ILE 63 8.668 -12.752 2.843 461 H ALA 64 H ALA 64 5.066 -12.605 6.940 462 HA ALA 64 HA ALA 64 3.336 -13.813 5.038 463 HB1 ALA 64 1HB ALA 64 2.627 -15.219 6.899 464 HB2 ALA 64 2HB ALA 64 3.452 -14.149 8.033 465 HB3 ALA 64 3HB ALA 64 4.383 -15.069 6.852 466 H ASP 65 H ASP 65 3.046 -11.195 7.174 467 HA ASP 65 HA ASP 65 0.157 -11.446 7.462 468 HB2 ASP 65 2HB ASP 65 1.649 -10.630 9.318 469 HB3 ASP 65 1HB ASP 65 1.884 -9.161 8.386 470 H VAL 66 H VAL 66 2.516 -9.536 5.745 471 HA VAL 66 HA VAL 66 0.499 -7.818 4.684 472 HB VAL 66 HB VAL 66 2.864 -7.041 4.954 473 HG11 VAL 66 1HG1 VAL 66 4.024 -9.019 4.273 474 HG12 VAL 66 2HG1 VAL 66 4.554 -7.623 3.331 475 HG13 VAL 66 3HG1 VAL 66 3.459 -8.813 2.617 476 HG21 VAL 66 3HG2 VAL 66 1.357 -5.817 3.496 477 HG22 VAL 66 1HG2 VAL 66 1.792 -6.859 2.142 478 HG23 VAL 66 2HG2 VAL 66 3.000 -5.792 2.855 479 H VAL 67 H VAL 67 2.071 -10.775 3.663 480 HA VAL 67 HA VAL 67 1.013 -10.865 1.034 481 HB VAL 67 HB VAL 67 1.723 -13.190 2.876 482 HG11 VAL 67 1HG1 VAL 67 0.213 -13.910 1.076 483 HG12 VAL 67 2HG1 VAL 67 1.840 -14.547 0.833 484 HG13 VAL 67 3HG1 VAL 67 1.284 -13.172 -0.116 485 HG21 VAL 67 3HG2 VAL 67 3.603 -11.718 2.377 486 HG22 VAL 67 1HG2 VAL 67 3.291 -11.900 0.652 487 HG23 VAL 67 2HG2 VAL 67 3.791 -13.295 1.607 488 H ASP 68 H ASP 68 -0.187 -11.732 4.159 489 HA ASP 68 HA ASP 68 -2.606 -12.942 3.533 490 HB2 ASP 68 2HB ASP 68 -1.874 -12.906 5.809 491 HB3 ASP 68 1HB ASP 68 -1.777 -11.152 5.816 492 H LYS 69 H LYS 69 -1.983 -9.526 4.186 493 HA LYS 69 HA LYS 69 -4.577 -8.601 3.568 494 HB2 LYS 69 2HB LYS 69 -1.991 -7.041 3.295 495 HB3 LYS 69 1HB LYS 69 -3.600 -6.362 3.490 496 HG2 LYS 69 2HG LYS 69 -2.085 -7.974 5.546 497 HG3 LYS 69 1HG LYS 69 -2.368 -6.228 5.561 498 HD2 LYS 69 2HD LYS 69 -4.718 -6.553 5.780 499 HD3 LYS 69 1HD LYS 69 -4.543 -8.298 5.578 500 HE2 LYS 69 2HE LYS 69 -3.418 -6.674 7.843 501 HE3 LYS 69 1HE LYS 69 -4.905 -7.612 7.903 502 HZ1 LYS 69 3HZ LYS 69 -3.280 -8.960 8.845 503 HZ2 LYS 69 1HZ LYS 69 -2.126 -8.646 7.655 504 HZ3 LYS 69 2HZ LYS 69 -3.495 -9.590 7.296 505 H ALA 70 H ALA 70 -1.691 -8.901 1.626 506 HA ALA 70 HA ALA 70 -2.441 -7.760 -0.816 507 HB1 ALA 70 1HB ALA 70 -0.176 -8.366 -0.421 508 HB2 ALA 70 2HB ALA 70 -0.737 -9.495 -1.688 509 HB3 ALA 70 3HB ALA 70 -0.641 -10.004 -0.023 510 H LYS 71 H LYS 71 -3.005 -10.994 0.493 511 HA LYS 71 HA LYS 71 -4.189 -11.912 -1.967 512 HB2 LYS 71 2HB LYS 71 -2.881 -13.456 -0.654 513 HB3 LYS 71 1HB LYS 71 -3.954 -13.255 0.729 514 HG2 LYS 71 2HG LYS 71 -5.801 -14.167 -0.634 515 HG3 LYS 71 1HG LYS 71 -4.666 -14.475 -1.934 516 HD2 LYS 71 2HD LYS 71 -4.558 -15.708 0.832 517 HD3 LYS 71 1HD LYS 71 -5.213 -16.483 -0.595 518 HE2 LYS 71 2HE LYS 71 -3.052 -17.387 -0.297 519 HE3 LYS 71 1HE LYS 71 -2.912 -16.256 -1.635 520 HZ1 LYS 71 3HZ LYS 71 -1.850 -14.678 -0.142 521 HZ2 LYS 71 1HZ LYS 71 -1.074 -16.159 -0.068 522 HZ3 LYS 71 2HZ LYS 71 -2.094 -15.710 1.177 523 H VAL 72 H VAL 72 -5.317 -11.368 1.347 524 HA VAL 72 HA VAL 72 -7.950 -12.208 0.998 525 HB VAL 72 HB VAL 72 -6.972 -10.098 2.938 526 HG11 VAL 72 1HG1 VAL 72 -9.381 -10.186 2.774 527 HG12 VAL 72 2HG1 VAL 72 -8.815 -10.782 4.334 528 HG13 VAL 72 3HG1 VAL 72 -9.354 -11.925 3.089 529 HG21 VAL 72 3HG2 VAL 72 -6.718 -11.926 4.516 530 HG22 VAL 72 1HG2 VAL 72 -5.649 -12.070 3.130 531 HG23 VAL 72 2HG2 VAL 72 -7.091 -13.091 3.233 532 H LEU 73 H LEU 73 -6.802 -8.809 1.061 533 HA LEU 73 HA LEU 73 -9.283 -7.885 0.021 534 HB2 LEU 73 2HB LEU 73 -7.972 -6.591 1.601 535 HB3 LEU 73 1HB LEU 73 -6.639 -6.518 0.467 536 HG LEU 73 HG LEU 73 -8.008 -5.137 -1.021 537 HD11 LEU 73 1HD1 LEU 73 -10.172 -4.285 -0.230 538 HD12 LEU 73 2HD1 LEU 73 -10.086 -5.367 1.166 539 HD13 LEU 73 3HD1 LEU 73 -10.178 -6.029 -0.461 540 HD21 LEU 73 3HD2 LEU 73 -6.586 -4.125 0.687 541 HD22 LEU 73 1HD2 LEU 73 -7.932 -4.162 1.821 542 HD23 LEU 73 2HD2 LEU 73 -8.026 -3.142 0.379 543 H SER 74 H SER 74 -6.548 -9.257 -1.333 544 HA SER 74 HA SER 74 -5.482 -9.280 -3.228 545 HB2 SER 74 2HB SER 74 -6.929 -9.273 -5.358 546 HB3 SER 74 1HB SER 74 -7.304 -10.482 -4.137 547 HG SER 74 HG SER 74 -8.645 -8.225 -3.666 548 H LEU 75 H LEU 75 -4.246 -7.619 -2.742 549 HA LEU 75 HA LEU 75 -4.811 -4.953 -3.543 550 HB2 LEU 75 2HB LEU 75 -2.235 -6.248 -2.706 551 HB3 LEU 75 1HB LEU 75 -2.484 -4.528 -2.904 552 HG LEU 75 HG LEU 75 -3.853 -6.280 -0.879 553 HD11 LEU 75 1HD1 LEU 75 -1.729 -4.171 -0.528 554 HD12 LEU 75 2HD1 LEU 75 -1.483 -5.915 -0.467 555 HD13 LEU 75 3HD1 LEU 75 -2.496 -5.135 0.746 556 HD21 LEU 75 3HD2 LEU 75 -4.639 -4.104 0.035 557 HD22 LEU 75 1HD2 LEU 75 -5.293 -4.531 -1.555 558 HD23 LEU 75 2HD2 LEU 75 -4.020 -3.333 -1.442 559 H ALA 76 H ALA 76 -3.055 -3.859 -4.719 560 HA ALA 76 HA ALA 76 -2.381 -5.324 -7.187 561 HB1 ALA 76 1HB ALA 76 -4.213 -3.733 -7.632 562 HB2 ALA 76 2HB ALA 76 -2.731 -3.298 -8.486 563 HB3 ALA 76 3HB ALA 76 -3.188 -2.430 -7.021 564 H ALA 77 H ALA 77 -1.525 -2.677 -4.969 565 HA ALA 77 HA ALA 77 1.229 -3.452 -5.402 566 HB1 ALA 77 1HB ALA 77 0.914 -1.501 -6.813 567 HB2 ALA 77 2HB ALA 77 1.919 -1.074 -5.435 568 HB3 ALA 77 3HB ALA 77 0.237 -0.600 -5.472 569 H VAL 78 H VAL 78 2.556 -2.875 -3.682 570 HA VAL 78 HA VAL 78 1.291 -1.868 -1.261 571 HB VAL 78 HB VAL 78 1.271 -4.306 -1.008 572 HG11 VAL 78 1HG1 VAL 78 4.215 -4.057 -1.628 573 HG12 VAL 78 2HG1 VAL 78 3.015 -4.968 -2.539 574 HG13 VAL 78 3HG1 VAL 78 3.523 -5.529 -0.937 575 HG21 VAL 78 3HG2 VAL 78 3.449 -3.051 0.664 576 HG22 VAL 78 1HG2 VAL 78 2.611 -4.552 1.059 577 HG23 VAL 78 2HG2 VAL 78 1.720 -3.027 1.013 578 H GLN 79 H GLN 79 2.768 -0.595 -0.023 579 HA GLN 79 HA GLN 79 5.190 -0.034 -1.430 580 HB2 GLN 79 2HB GLN 79 3.348 1.477 0.268 581 HB3 GLN 79 1HB GLN 79 5.034 1.931 0.289 582 HG2 GLN 79 2HG GLN 79 3.938 3.263 -1.319 583 HG3 GLN 79 1HG GLN 79 4.921 2.093 -2.189 584 HE21 GLN 79 1HE2 GLN 79 3.835 0.283 -3.219 585 HE22 GLN 79 2HE2 GLN 79 2.184 0.471 -3.651 586 H LEU 80 H LEU 80 7.037 -0.388 -0.671 587 HA LEU 80 HA LEU 80 7.200 -1.628 1.929 588 HB2 LEU 80 2HB LEU 80 8.643 -1.934 -0.604 589 HB3 LEU 80 1HB LEU 80 9.652 -1.967 0.824 590 HG LEU 80 HG LEU 80 9.007 -4.214 0.085 591 HD11 LEU 80 1HD1 LEU 80 8.274 -5.037 2.260 592 HD12 LEU 80 2HD1 LEU 80 7.804 -3.411 2.730 593 HD13 LEU 80 3HD1 LEU 80 9.500 -3.786 2.425 594 HD21 LEU 80 3HD2 LEU 80 6.797 -3.670 -0.857 595 HD22 LEU 80 1HD2 LEU 80 6.189 -3.342 0.760 596 HD23 LEU 80 2HD2 LEU 80 6.671 -4.977 0.311 597 H HIS 81 H HIS 81 7.870 -0.528 3.513 598 HA HIS 81 HA HIS 81 9.544 1.788 3.143 599 HB2 HIS 81 2HB HIS 81 8.508 0.409 5.646 600 HB3 HIS 81 1HB HIS 81 9.562 1.816 5.682 601 HD1 HIS 81 1HD HIS 81 6.014 0.805 4.912 602 HD2 HIS 81 2HD HIS 81 8.339 4.240 5.121 603 HE1 HIS 81 1HE HIS 81 4.425 2.728 4.859 604 H GLY 82 H GLY 82 11.368 1.180 2.400 605 HA2 GLY 82 2HA GLY 82 12.572 -1.280 2.897 606 HA3 GLY 82 1HA GLY 82 13.407 0.075 2.128 607 H ASN 83 H ASN 83 12.539 1.383 4.801 608 HA ASN 83 HA ASN 83 14.802 1.589 6.286 609 HB2 ASN 83 2HB ASN 83 12.916 2.941 6.801 610 HB3 ASN 83 1HB ASN 83 11.924 1.542 7.183 611 HD21 ASN 83 1HD2 ASN 83 12.086 0.590 9.235 612 HD22 ASN 83 2HD2 ASN 83 12.970 1.308 10.511 613 H GLU 84 H GLU 84 12.593 -1.139 6.346 614 HA GLU 84 HA GLU 84 13.368 -2.176 8.842 615 HB2 GLU 84 2HB GLU 84 12.200 -3.724 6.537 616 HB3 GLU 84 1HB GLU 84 12.128 -4.137 8.244 617 HG2 GLU 84 2HG GLU 84 10.759 -1.830 6.877 618 HG3 GLU 84 1HG GLU 84 10.001 -3.267 7.553 619 H GLU 85 H GLU 85 14.387 -3.081 5.539 620 HA GLU 85 HA GLU 85 17.019 -3.719 6.141 621 HB2 GLU 85 2HB GLU 85 15.606 -5.617 7.301 622 HB3 GLU 85 1HB GLU 85 15.372 -6.191 5.658 623 HG2 GLU 85 2HG GLU 85 18.051 -5.676 6.843 624 HG3 GLU 85 1HG GLU 85 17.224 -7.220 7.002 625 H GLN 86 H GLN 86 18.034 -4.435 4.031 626 HA GLN 86 HA GLN 86 16.716 -3.096 1.881 627 HB2 GLN 86 2HB GLN 86 19.351 -4.470 2.219 628 HB3 GLN 86 1HB GLN 86 18.871 -3.572 0.799 629 HG2 GLN 86 2HG GLN 86 18.797 -1.513 2.095 630 HG3 GLN 86 1HG GLN 86 19.113 -2.415 3.579 631 HE21 GLN 86 1HE2 GLN 86 21.171 -3.207 3.933 632 HE22 GLN 86 2HE2 GLN 86 22.541 -2.656 3.049 633 H LEU 87 H LEU 87 17.814 -6.267 2.637 634 HA LEU 87 HA LEU 87 17.305 -7.341 0.030 635 HB2 LEU 87 2HB LEU 87 18.066 -8.724 2.580 636 HB3 LEU 87 1HB LEU 87 18.125 -9.414 0.966 637 HG LEU 87 HG LEU 87 19.640 -6.963 1.694 638 HD11 LEU 87 1HD1 LEU 87 21.640 -8.435 1.980 639 HD12 LEU 87 2HD1 LEU 87 20.564 -9.844 1.905 640 HD13 LEU 87 3HD1 LEU 87 20.399 -8.653 3.206 641 HD21 LEU 87 3HD2 LEU 87 19.381 -7.323 -0.655 642 HD22 LEU 87 1HD2 LEU 87 19.975 -8.983 -0.513 643 HD23 LEU 87 2HD2 LEU 87 21.060 -7.624 -0.209 644 H TYR 88 H TYR 88 15.784 -7.036 3.022 645 HA TYR 88 HA TYR 88 13.873 -9.031 2.991 646 HB2 TYR 88 2HB TYR 88 14.167 -7.734 4.959 647 HB3 TYR 88 1HB TYR 88 13.780 -6.239 4.113 648 HD1 TYR 88 2HD TYR 88 12.181 -9.572 4.727 649 HD2 TYR 88 1HD TYR 88 11.762 -5.359 4.563 650 HE1 TYR 88 2HE TYR 88 9.829 -9.805 5.395 651 HE2 TYR 88 1HE TYR 88 9.404 -5.557 5.268 652 HH TYR 88 HH TYR 88 8.149 -8.349 6.591 653 H ILE 89 H ILE 89 13.937 -5.961 1.265 654 HA ILE 89 HA ILE 89 11.232 -5.953 0.417 655 HB ILE 89 HB ILE 89 13.710 -4.799 -0.836 656 HG12 ILE 89 2HG1 ILE 89 12.453 -2.584 -0.285 657 HG13 ILE 89 1HG1 ILE 89 11.541 -3.602 0.822 658 HG21 ILE 89 1HG2 ILE 89 10.844 -4.347 -1.722 659 HG22 ILE 89 2HG2 ILE 89 12.098 -5.172 -2.651 660 HG23 ILE 89 3HG2 ILE 89 12.225 -3.437 -2.337 661 HD11 ILE 89 3HD1 ILE 89 13.545 -4.229 1.940 662 HD12 ILE 89 1HD1 ILE 89 13.452 -2.469 1.849 663 HD13 ILE 89 2HD1 ILE 89 14.497 -3.347 0.743 664 H ASP 90 H ASP 90 14.114 -7.425 -0.783 665 HA ASP 90 HA ASP 90 13.030 -8.338 -3.246 666 HB2 ASP 90 2HB ASP 90 15.445 -8.019 -2.603 667 HB3 ASP 90 1HB ASP 90 15.325 -9.544 -1.755 668 H THR 91 H THR 91 12.769 -9.352 -0.093 669 HA THR 91 HA THR 91 12.278 -12.168 -0.492 670 HB THR 91 HB THR 91 11.969 -10.308 1.862 671 HG1 THR 91 1HG THR 91 14.154 -10.933 0.909 672 HG21 THR 91 3HG2 THR 91 10.519 -12.140 2.064 673 HG22 THR 91 1HG2 THR 91 11.801 -12.325 3.260 674 HG23 THR 91 2HG2 THR 91 11.814 -13.323 1.785 675 H LEU 92 H LEU 92 10.466 -9.259 0.335 676 HA LEU 92 HA LEU 92 7.956 -10.177 0.407 677 HB2 LEU 92 2HB LEU 92 8.976 -7.593 -0.674 678 HB3 LEU 92 1HB LEU 92 7.269 -7.962 -0.828 679 HG LEU 92 HG LEU 92 7.552 -6.553 1.057 680 HD11 LEU 92 1HD1 LEU 92 5.966 -8.380 1.308 681 HD12 LEU 92 2HD1 LEU 92 6.719 -7.895 2.847 682 HD13 LEU 92 3HD1 LEU 92 7.299 -9.325 1.992 683 HD21 LEU 92 3HD2 LEU 92 9.887 -6.872 1.503 684 HD22 LEU 92 1HD2 LEU 92 9.571 -8.522 2.042 685 HD23 LEU 92 2HD2 LEU 92 8.929 -7.168 2.958 686 H ARG 93 H ARG 93 9.618 -9.293 -2.570 687 HA ARG 93 HA ARG 93 7.584 -9.833 -4.455 688 HB2 ARG 93 2HB ARG 93 10.533 -10.336 -4.815 689 HB3 ARG 93 1HB ARG 93 9.368 -10.675 -6.082 690 HG2 ARG 93 2HG ARG 93 10.190 -8.618 -6.610 691 HG3 ARG 93 1HG ARG 93 8.663 -8.257 -5.786 692 HD2 ARG 93 2HD ARG 93 10.036 -6.795 -4.724 693 HD3 ARG 93 1HD ARG 93 10.220 -8.187 -3.703 694 HE ARG 93 HE ARG 93 12.250 -8.724 -4.985 695 HH11 ARG 93 1HH1 ARG 93 11.046 -5.392 -5.007 696 HH12 ARG 93 2HH1 ARG 93 12.613 -4.702 -5.111 697 HH21 ARG 93 1HH2 ARG 93 14.402 -7.718 -5.074 698 HH22 ARG 93 2HH2 ARG 93 14.511 -6.016 -5.123 699 H GLU 94 H GLU 94 9.477 -11.975 -2.735 700 HA GLU 94 HA GLU 94 9.000 -14.279 -4.404 701 HB2 GLU 94 2HB GLU 94 9.953 -14.253 -1.553 702 HB3 GLU 94 1HB GLU 94 10.103 -15.580 -2.699 703 HG2 GLU 94 2HG GLU 94 11.512 -14.122 -4.113 704 HG3 GLU 94 1HG GLU 94 11.394 -12.897 -2.853 705 H ALA 95 H ALA 95 7.711 -13.104 -1.399 706 HA ALA 95 HA ALA 95 5.897 -15.359 -1.300 707 HB1 ALA 95 1HB ALA 95 5.258 -14.689 0.911 708 HB2 ALA 95 2HB ALA 95 6.041 -13.124 0.698 709 HB3 ALA 95 3HB ALA 95 7.017 -14.593 0.776 710 H LEU 96 H LEU 96 5.792 -12.274 -2.350 711 HA LEU 96 HA LEU 96 2.847 -11.958 -2.301 712 HB2 LEU 96 2HB LEU 96 5.005 -10.236 -3.509 713 HB3 LEU 96 1HB LEU 96 3.290 -9.889 -3.596 714 HG LEU 96 HG LEU 96 4.896 -10.027 -1.037 715 HD11 LEU 96 1HD1 LEU 96 3.825 -7.659 -2.556 716 HD12 LEU 96 2HD1 LEU 96 5.516 -8.142 -2.457 717 HD13 LEU 96 3HD1 LEU 96 4.664 -7.610 -1.005 718 HD21 LEU 96 3HD2 LEU 96 2.916 -9.058 -0.009 719 HD22 LEU 96 1HD2 LEU 96 2.520 -10.606 -0.753 720 HD23 LEU 96 2HD2 LEU 96 2.071 -9.103 -1.556 721 HA PRO 97 HA PRO 97 2.238 -13.931 -6.120 722 HB2 PRO 97 2HB PRO 97 -0.317 -13.112 -6.499 723 HB3 PRO 97 1HB PRO 97 0.066 -14.442 -5.422 724 HG2 PRO 97 2HG PRO 97 -0.557 -11.600 -4.830 725 HG3 PRO 97 1HG PRO 97 -0.998 -13.053 -3.909 726 HD2 PRO 97 2HD PRO 97 1.019 -11.356 -3.187 727 HD3 PRO 97 1HD PRO 97 1.007 -13.082 -2.785 728 H ALA 98 H ALA 98 1.569 -13.296 -8.263 729 HA ALA 98 HA ALA 98 2.935 -11.024 -9.189 730 HB1 ALA 98 1HB ALA 98 0.887 -12.701 -10.578 731 HB2 ALA 98 2HB ALA 98 2.606 -13.085 -10.464 732 HB3 ALA 98 3HB ALA 98 2.071 -11.658 -11.367 733 H HIS 99 H HIS 99 -0.202 -11.360 -7.992 734 HA HIS 99 HA HIS 99 -1.575 -9.398 -9.542 735 HB2 HIS 99 2HB HIS 99 -2.362 -9.951 -6.702 736 HB3 HIS 99 1HB HIS 99 -3.387 -9.697 -8.097 737 HD1 HIS 99 1HD HIS 99 -2.787 -12.042 -9.921 738 HD2 HIS 99 2HD HIS 99 -2.736 -12.352 -5.792 739 HE1 HIS 99 1HE HIS 99 -2.947 -14.513 -9.367 740 H VAL 100 H VAL 100 0.571 -9.304 -6.624 741 HA VAL 100 HA VAL 100 -0.209 -6.589 -6.219 742 HB VAL 100 HB VAL 100 1.159 -8.613 -4.485 743 HG11 VAL 100 1HG1 VAL 100 1.872 -6.432 -4.050 744 HG12 VAL 100 2HG1 VAL 100 0.854 -7.008 -2.705 745 HG13 VAL 100 3HG1 VAL 100 0.210 -5.846 -3.906 746 HG21 VAL 100 3HG2 VAL 100 -1.673 -7.614 -4.553 747 HG22 VAL 100 1HG2 VAL 100 -0.976 -8.451 -3.167 748 HG23 VAL 100 2HG2 VAL 100 -1.088 -9.271 -4.717 749 H ALA 101 H ALA 101 1.191 -5.134 -6.610 750 HA ALA 101 HA ALA 101 3.915 -5.798 -7.432 751 HB1 ALA 101 1HB ALA 101 2.340 -3.240 -7.751 752 HB2 ALA 101 2HB ALA 101 2.525 -4.480 -8.987 753 HB3 ALA 101 3HB ALA 101 3.933 -3.568 -8.435 754 H ILE 102 H ILE 102 5.494 -3.989 -6.805 755 HA ILE 102 HA ILE 102 5.003 -3.227 -4.032 756 HB ILE 102 HB ILE 102 7.531 -4.369 -5.214 757 HG12 ILE 102 2HG1 ILE 102 5.905 -5.254 -2.797 758 HG13 ILE 102 1HG1 ILE 102 5.880 -6.036 -4.370 759 HG21 ILE 102 1HG2 ILE 102 7.101 -2.823 -2.703 760 HG22 ILE 102 2HG2 ILE 102 8.191 -2.513 -4.045 761 HG23 ILE 102 3HG2 ILE 102 8.537 -3.865 -2.929 762 HD11 ILE 102 3HD1 ILE 102 8.295 -5.815 -2.569 763 HD12 ILE 102 1HD1 ILE 102 8.229 -6.627 -4.117 764 HD13 ILE 102 2HD1 ILE 102 7.325 -7.270 -2.781 765 H TRP 103 H TRP 103 5.369 -1.196 -3.668 766 HA TRP 103 HA TRP 103 7.018 0.228 -5.658 767 HB2 TRP 103 2HB TRP 103 4.749 1.511 -4.120 768 HB3 TRP 103 1HB TRP 103 5.772 2.277 -5.315 769 HD1 TRP 103 HD TRP 103 5.240 -0.559 -7.242 770 HE1 TRP 103 1HE TRP 103 3.084 -0.478 -8.631 771 HE3 TRP 103 3HE TRP 103 2.863 3.039 -4.688 772 HZ2 TRP 103 2HZ TRP 103 0.624 0.949 -8.599 773 HZ3 TRP 103 3HZ TRP 103 0.603 3.784 -5.418 774 HH2 TRP 103 HH TRP 103 -0.468 2.762 -7.333 775 H LYS 104 H LYS 104 8.160 2.076 -4.800 776 HA LYS 104 HA LYS 104 9.060 1.493 -2.073 777 HB2 LYS 104 2HB LYS 104 10.714 1.545 -4.020 778 HB3 LYS 104 1HB LYS 104 10.404 3.275 -4.089 779 HG2 LYS 104 2HG LYS 104 11.029 3.303 -1.604 780 HG3 LYS 104 1HG LYS 104 11.684 1.691 -1.884 781 HD2 LYS 104 2HD LYS 104 13.514 3.110 -2.156 782 HD3 LYS 104 1HD LYS 104 12.995 2.786 -3.813 783 HE2 LYS 104 2HE LYS 104 13.456 5.142 -3.605 784 HE3 LYS 104 1HE LYS 104 11.710 4.942 -3.736 785 HZ1 LYS 104 3HZ LYS 104 11.575 5.204 -1.265 786 HZ2 LYS 104 1HZ LYS 104 12.343 6.530 -1.967 787 HZ3 LYS 104 2HZ LYS 104 13.245 5.362 -1.229 788 H ALA 105 H ALA 105 8.387 2.711 -0.631 789 HA ALA 105 HA ALA 105 7.050 5.171 -1.075 790 HB1 ALA 105 1HB ALA 105 8.246 4.051 1.474 791 HB2 ALA 105 2HB ALA 105 6.588 3.812 0.919 792 HB3 ALA 105 3HB ALA 105 7.144 5.422 1.382 793 H LEU 106 H LEU 106 8.051 6.916 -1.730 794 HA LEU 106 HA LEU 106 10.848 7.335 -1.214 795 HB2 LEU 106 2HB LEU 106 9.863 7.762 -3.425 796 HB3 LEU 106 1HB LEU 106 8.805 8.952 -2.722 797 HG LEU 106 HG LEU 106 10.840 10.307 -2.107 798 HD11 LEU 106 1HD1 LEU 106 12.501 8.543 -2.122 799 HD12 LEU 106 2HD1 LEU 106 12.942 9.819 -3.256 800 HD13 LEU 106 3HD1 LEU 106 12.259 8.309 -3.852 801 HD21 LEU 106 3HD2 LEU 106 9.507 10.852 -4.071 802 HD22 LEU 106 1HD2 LEU 106 10.449 9.715 -5.039 803 HD23 LEU 106 2HD2 LEU 106 11.218 11.153 -4.370 804 H SER 107 H SER 107 11.006 7.764 0.929 805 HA SER 107 HA SER 107 9.405 9.580 2.385 806 HB2 SER 107 2HB SER 107 12.208 8.577 2.848 807 HB3 SER 107 1HB SER 107 11.173 9.361 4.051 808 HG SER 107 HG SER 107 9.637 7.654 3.511 809 H VAL 108 H VAL 108 9.946 11.718 3.071 810 HA VAL 108 HA VAL 108 11.106 13.130 0.945 811 HB VAL 108 HB VAL 108 10.792 15.196 2.349 812 HG11 VAL 108 1HG1 VAL 108 8.341 15.140 2.280 813 HG12 VAL 108 2HG1 VAL 108 8.393 13.391 2.062 814 HG13 VAL 108 3HG1 VAL 108 9.058 14.456 0.822 815 HG21 VAL 108 3HG2 VAL 108 9.559 13.265 4.317 816 HG22 VAL 108 1HG2 VAL 108 9.481 15.023 4.417 817 HG23 VAL 108 2HG2 VAL 108 11.034 14.197 4.563 818 H GLY 109 H GLY 109 12.978 13.379 0.504 819 HA2 GLY 109 2HA GLY 109 15.069 14.189 2.176 820 HA3 GLY 109 1HA GLY 109 15.185 12.460 1.795 821 H GLU 110 H GLU 110 15.407 15.623 0.597 822 HA GLU 110 HA GLU 110 15.028 14.979 -2.138 823 HB2 GLU 110 2HB GLU 110 16.044 17.456 -0.813 824 HB3 GLU 110 1HB GLU 110 15.637 17.330 -2.526 825 HG2 GLU 110 2HG GLU 110 13.350 16.760 -1.948 826 HG3 GLU 110 1HG GLU 110 13.756 16.839 -0.236 827 H THR 111 H THR 111 17.766 14.670 -0.178 828 HA THR 111 HA THR 111 19.512 14.741 -2.520 829 HB THR 111 HB THR 111 20.281 14.436 0.408 830 HG1 THR 111 1HG THR 111 19.595 16.610 -1.186 831 HG21 THR 111 3HG2 THR 111 21.871 15.335 -2.021 832 HG22 THR 111 1HG2 THR 111 22.036 13.778 -1.210 833 HG23 THR 111 2HG2 THR 111 22.482 15.263 -0.368 834 H LEU 112 H LEU 112 17.452 12.621 -1.322 835 HA LEU 112 HA LEU 112 19.217 10.334 -1.281 836 HB2 LEU 112 2HB LEU 112 16.297 10.710 -0.648 837 HB3 LEU 112 1HB LEU 112 16.918 9.109 -0.976 838 HG LEU 112 HG LEU 112 16.704 9.522 1.422 839 HD11 LEU 112 1HD1 LEU 112 18.950 8.867 2.121 840 HD12 LEU 112 2HD1 LEU 112 19.565 9.292 0.525 841 HD13 LEU 112 3HD1 LEU 112 18.398 7.982 0.702 842 HD21 LEU 112 3HD2 LEU 112 17.079 11.955 1.424 843 HD22 LEU 112 1HD2 LEU 112 18.772 11.684 1.037 844 HD23 LEU 112 2HD2 LEU 112 18.125 11.143 2.588 845 HA PRO 113 HA PRO 113 18.397 9.395 -5.520 846 HB2 PRO 113 2HB PRO 113 18.549 6.530 -4.983 847 HB3 PRO 113 1HB PRO 113 19.681 7.547 -5.872 848 HG2 PRO 113 2HG PRO 113 20.252 6.452 -3.453 849 HG3 PRO 113 1HG PRO 113 20.953 7.974 -4.012 850 HD2 PRO 113 2HD PRO 113 18.712 7.507 -2.099 851 HD3 PRO 113 1HD PRO 113 20.008 8.722 -2.062 852 H ALA 114 H ALA 114 16.710 8.751 -6.809 853 HA ALA 114 HA ALA 114 14.182 8.366 -5.601 854 HB1 ALA 114 1HB ALA 114 13.332 8.199 -7.892 855 HB2 ALA 114 2HB ALA 114 14.979 8.029 -8.494 856 HB3 ALA 114 3HB ALA 114 14.469 9.541 -7.747 857 H ARG 115 H ARG 115 16.601 6.249 -6.830 858 HA ARG 115 HA ARG 115 14.830 3.942 -6.424 859 HB2 ARG 115 2HB ARG 115 17.433 3.932 -7.969 860 HB3 ARG 115 1HB ARG 115 16.173 2.711 -7.952 861 HG2 ARG 115 2HG ARG 115 15.922 5.463 -9.180 862 HG3 ARG 115 1HG ARG 115 16.225 3.970 -10.059 863 HD2 ARG 115 2HD ARG 115 14.045 3.118 -9.463 864 HD3 ARG 115 1HD ARG 115 13.758 4.496 -8.397 865 HE ARG 115 HE ARG 115 14.277 5.625 -10.802 866 HH11 ARG 115 1HH1 ARG 115 11.880 3.180 -9.818 867 HH12 ARG 115 2HH1 ARG 115 10.720 3.699 -10.946 868 HH21 ARG 115 1HH2 ARG 115 12.635 6.303 -12.336 869 HH22 ARG 115 2HH2 ARG 115 11.151 5.477 -12.407 870 H GLU 116 H GLU 116 15.398 2.658 -4.772 871 HA GLU 116 HA GLU 116 18.084 2.915 -3.586 872 HB2 GLU 116 2HB GLU 116 15.510 2.806 -1.984 873 HB3 GLU 116 1HB GLU 116 17.120 2.770 -1.318 874 HG2 GLU 116 2HG GLU 116 17.494 5.062 -2.065 875 HG3 GLU 116 1HG GLU 116 15.879 5.098 -2.773 876 H PHE 117 H PHE 117 15.011 1.250 -3.252 877 HA PHE 117 HA PHE 117 16.419 -1.256 -2.988 878 HB2 PHE 117 2HB PHE 117 13.512 -0.562 -2.459 879 HB3 PHE 117 1HB PHE 117 14.296 -2.103 -2.084 880 HD1 PHE 117 1HD PHE 117 16.084 -2.193 -0.382 881 HD2 PHE 117 2HD PHE 117 13.779 1.316 -1.044 882 HE1 PHE 117 1HE PHE 117 16.901 -1.231 1.750 883 HE2 PHE 117 2HE PHE 117 14.581 2.259 1.071 884 HZ PHE 117 HZ PHE 117 16.149 0.986 2.466 885 H GLN 118 H GLN 118 16.686 -2.237 -4.665 886 HA GLN 118 HA GLN 118 15.518 -1.459 -7.144 887 HB2 GLN 118 2HB GLN 118 17.003 -3.067 -8.189 888 HB3 GLN 118 1HB GLN 118 17.871 -2.095 -7.013 889 HG2 GLN 118 2HG GLN 118 17.688 -3.985 -5.419 890 HG3 GLN 118 1HG GLN 118 16.924 -4.919 -6.714 891 HE21 GLN 118 1HE2 GLN 118 18.178 -5.614 -8.469 892 HE22 GLN 118 2HE2 GLN 118 19.896 -5.542 -8.436 893 H HIS 119 H HIS 119 14.738 -2.980 -8.742 894 HA HIS 119 HA HIS 119 13.307 -4.406 -9.605 895 HB2 HIS 119 2HB HIS 119 13.460 -5.984 -7.018 896 HB3 HIS 119 1HB HIS 119 12.669 -6.537 -8.480 897 HD1 HIS 119 1HD HIS 119 14.513 -8.597 -7.972 898 HD2 HIS 119 2HD HIS 119 15.964 -4.976 -9.403 899 HE1 HIS 119 1HE HIS 119 16.836 -9.046 -8.771 900 H VAL 120 H VAL 120 12.532 -2.285 -7.386 901 HA VAL 120 HA VAL 120 9.816 -3.060 -6.815 902 HB VAL 120 HB VAL 120 9.432 -0.734 -6.084 903 HG11 VAL 120 1HG1 VAL 120 10.982 -0.702 -4.187 904 HG12 VAL 120 2HG1 VAL 120 11.981 -1.905 -4.995 905 HG13 VAL 120 3HG1 VAL 120 10.344 -2.318 -4.490 906 HG21 VAL 120 3HG2 VAL 120 12.285 -0.243 -6.965 907 HG22 VAL 120 1HG2 VAL 120 11.305 0.891 -6.030 908 HG23 VAL 120 2HG2 VAL 120 10.826 0.458 -7.669 909 H ASP 121 H ASP 121 7.975 -2.080 -7.638 910 HA ASP 121 HA ASP 121 8.207 -2.065 -10.524 911 HB2 ASP 121 2HB ASP 121 5.763 -1.915 -8.758 912 HB3 ASP 121 1HB ASP 121 5.739 -2.068 -10.511 913 H LYS 122 H LYS 122 7.254 0.161 -8.028 914 HA LYS 122 HA LYS 122 7.635 2.395 -9.840 915 HB2 LYS 122 2HB LYS 122 5.025 1.918 -8.370 916 HB3 LYS 122 1HB LYS 122 5.485 3.503 -8.904 917 HG2 LYS 122 2HG LYS 122 5.486 2.671 -11.233 918 HG3 LYS 122 1HG LYS 122 4.940 1.101 -10.632 919 HD2 LYS 122 2HD LYS 122 2.955 2.144 -9.660 920 HD3 LYS 122 1HD LYS 122 3.496 3.725 -10.213 921 HE2 LYS 122 2HE LYS 122 3.304 3.009 -12.513 922 HE3 LYS 122 1HE LYS 122 2.844 1.386 -11.999 923 HZ1 LYS 122 3HZ LYS 122 0.881 2.653 -12.594 924 HZ2 LYS 122 1HZ LYS 122 1.287 3.888 -11.530 925 HZ3 LYS 122 2HZ LYS 122 0.858 2.392 -10.943 926 H TYR 123 H TYR 123 7.754 4.434 -8.634 927 HA TYR 123 HA TYR 123 8.195 4.056 -5.760 928 HB2 TYR 123 2HB TYR 123 9.934 5.671 -5.735 929 HB3 TYR 123 1HB TYR 123 10.311 4.664 -7.120 930 HD1 TYR 123 1HD TYR 123 9.897 5.543 -9.408 931 HD2 TYR 123 2HD TYR 123 9.437 7.921 -5.938 932 HE1 TYR 123 1HE TYR 123 9.956 7.539 -10.790 933 HE2 TYR 123 2HE TYR 123 9.482 9.924 -7.255 934 HH TYR 123 HH TYR 123 9.139 9.919 -10.624 935 H VAL 124 H VAL 124 7.208 5.496 -4.440 936 HA VAL 124 HA VAL 124 5.446 7.432 -5.719 937 HB VAL 124 HB VAL 124 4.269 5.271 -5.505 938 HG11 VAL 124 1HG1 VAL 124 3.518 4.497 -3.267 939 HG12 VAL 124 2HG1 VAL 124 4.680 5.627 -2.557 940 HG13 VAL 124 3HG1 VAL 124 5.240 4.313 -3.586 941 HG21 VAL 124 3HG2 VAL 124 3.073 7.422 -3.763 942 HG22 VAL 124 1HG2 VAL 124 2.191 6.080 -4.490 943 HG23 VAL 124 2HG2 VAL 124 2.939 7.300 -5.520 944 H LEU 125 H LEU 125 4.425 8.709 -3.922 945 HA LEU 125 HA LEU 125 6.603 9.633 -2.311 946 HB2 LEU 125 2HB LEU 125 3.760 10.608 -2.504 947 HB3 LEU 125 1HB LEU 125 4.891 11.271 -1.355 948 HG LEU 125 HG LEU 125 6.346 11.995 -3.248 949 HD11 LEU 125 1HD1 LEU 125 5.642 10.412 -4.953 950 HD12 LEU 125 2HD1 LEU 125 5.467 12.076 -5.508 951 HD13 LEU 125 3HD1 LEU 125 4.046 11.161 -5.006 952 HD21 LEU 125 3HD2 LEU 125 3.518 13.026 -3.288 953 HD22 LEU 125 1HD2 LEU 125 4.924 13.865 -3.938 954 HD23 LEU 125 2HD2 LEU 125 4.811 13.549 -2.206 955 H ASP 126 H ASP 126 6.386 10.139 -0.028 956 HA ASP 126 HA ASP 126 6.012 7.767 1.455 957 HB2 ASP 126 2HB ASP 126 7.679 9.544 1.866 958 HB3 ASP 126 1HB ASP 126 6.406 10.581 2.462 959 H ASN 127 H ASN 127 3.961 7.146 1.415 960 HA ASN 127 HA ASN 127 1.841 8.873 2.267 961 HB2 ASN 127 2HB ASN 127 1.998 6.006 1.449 962 HB3 ASN 127 1HB ASN 127 0.559 6.569 2.297 963 HD21 ASN 127 1HD2 ASN 127 2.573 7.040 -0.589 964 HD22 ASN 127 2HD2 ASN 127 1.315 7.763 -1.499 965 H GLY 128 H GLY 128 3.544 6.048 3.473 966 HA2 GLY 128 2HA GLY 128 4.107 5.347 5.548 967 HA3 GLY 128 1HA GLY 128 3.754 6.975 6.095 968 H GLN 129 H GLN 129 2.997 6.137 7.966 969 HA GLN 129 HA GLN 129 0.402 6.079 8.551 970 HB2 GLN 129 2HB GLN 129 -0.422 3.842 8.852 971 HB3 GLN 129 1HB GLN 129 0.317 3.785 7.269 972 HG2 GLN 129 2HG GLN 129 1.670 2.822 9.794 973 HG3 GLN 129 1HG GLN 129 0.711 1.790 8.746 974 HE21 GLN 129 1HE2 GLN 129 1.654 2.915 6.303 975 HE22 GLN 129 2HE2 GLN 129 3.294 2.403 6.135 976 H GLY 130 H GLY 130 3.562 4.903 9.045 977 HA2 GLY 130 2HA GLY 130 3.997 6.149 11.467 978 HA3 GLY 130 1HA GLY 130 3.588 4.464 11.811 979 H GLY 131 H GLY 131 5.412 6.061 9.224 980 HA2 GLY 131 2HA GLY 131 7.369 3.912 9.343 981 HA3 GLY 131 1HA GLY 131 7.214 5.115 8.070 982 H ALA 132 H ALA 132 9.250 5.875 8.029 983 HA ALA 132 HA ALA 132 10.361 6.892 10.551 984 HB1 ALA 132 1HB ALA 132 12.580 6.602 9.553 985 HB2 ALA 132 2HB ALA 132 11.840 5.987 8.077 986 HB3 ALA 132 3HB ALA 132 11.692 5.079 9.582 987 H GLY 133 H GLY 133 9.980 9.017 10.656 988 HA2 GLY 133 2HA GLY 133 11.063 10.713 8.637 989 HA3 GLY 133 1HA GLY 133 9.301 10.749 8.703 990 H SER 134 H SER 134 10.823 12.999 9.249 991 HA SER 134 HA SER 134 9.903 13.569 11.899 992 HB2 SER 134 2HB SER 134 12.835 13.894 11.167 993 HB3 SER 134 1HB SER 134 12.093 14.512 12.642 994 HG SER 134 HG SER 134 11.521 11.913 12.277 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -1.580 12.752 -15.150 2 H2 MET 1 2HT MET 1 -2.870 13.673 -14.507 3 H3 MET 1 3HT MET 1 -3.170 12.500 -15.646 4 HA MET 1 HA MET 1 -2.598 10.762 -14.196 5 HB2 MET 1 2HB MET 1 -2.020 11.186 -11.855 6 HB3 MET 1 1HB MET 1 -0.846 11.956 -12.897 7 HG2 MET 1 2HG MET 1 -2.002 14.114 -12.531 8 HG3 MET 1 1HG MET 1 -3.094 13.302 -11.412 9 HE1 MET 1 2HE MET 1 -1.445 15.863 -10.538 10 HE2 MET 1 3HE MET 1 -0.860 15.361 -8.951 11 HE3 MET 1 1HE MET 1 -2.505 14.968 -9.448 12 H GLY 2 H GLY 2 -4.246 9.874 -12.850 13 HA2 GLY 2 2HA GLY 2 -6.539 11.665 -12.488 14 HA3 GLY 2 1HA GLY 2 -6.721 10.088 -13.254 15 H GLU 3 H GLU 3 -5.581 11.650 -10.311 16 HA GLU 3 HA GLU 3 -5.557 9.250 -8.823 17 HB2 GLU 3 2HB GLU 3 -5.478 12.137 -7.975 18 HB3 GLU 3 1HB GLU 3 -5.394 10.791 -6.853 19 HG2 GLU 3 2HG GLU 3 -3.437 11.302 -9.081 20 HG3 GLU 3 1HG GLU 3 -3.191 11.719 -7.384 21 H ASN 4 H ASN 4 -7.195 8.184 -8.127 22 HA ASN 4 HA ASN 4 -9.504 9.614 -7.093 23 HB2 ASN 4 2HB ASN 4 -10.876 7.568 -7.733 24 HB3 ASN 4 1HB ASN 4 -10.264 8.443 -9.113 25 HD21 ASN 4 1HD2 ASN 4 -11.174 5.772 -8.913 26 HD22 ASN 4 2HD2 ASN 4 -9.880 4.734 -9.419 27 H LYS 5 H LYS 5 -7.039 8.995 -6.066 28 HA LYS 5 HA LYS 5 -6.648 6.742 -4.533 29 HB2 LYS 5 2HB LYS 5 -5.078 8.618 -5.171 30 HB3 LYS 5 1HB LYS 5 -5.827 9.570 -3.906 31 HG2 LYS 5 2HG LYS 5 -5.132 7.781 -2.305 32 HG3 LYS 5 1HG LYS 5 -4.216 7.079 -3.656 33 HD2 LYS 5 2HD LYS 5 -3.032 9.247 -3.927 34 HD3 LYS 5 1HD LYS 5 -3.852 9.843 -2.485 35 HE2 LYS 5 2HE LYS 5 -1.726 9.151 -1.748 36 HE3 LYS 5 1HE LYS 5 -2.821 7.863 -1.277 37 HZ1 LYS 5 3HZ LYS 5 -1.025 7.830 -3.647 38 HZ2 LYS 5 1HZ LYS 5 -2.054 6.561 -3.227 39 HZ3 LYS 5 2HZ LYS 5 -0.785 7.005 -2.224 40 H VAL 6 H VAL 6 -8.522 6.159 -3.376 41 HA VAL 6 HA VAL 6 -9.590 8.064 -1.494 42 HB VAL 6 HB VAL 6 -11.166 6.782 -2.855 43 HG11 VAL 6 1HG1 VAL 6 -10.125 4.320 -1.475 44 HG12 VAL 6 2HG1 VAL 6 -9.985 4.720 -3.189 45 HG13 VAL 6 3HG1 VAL 6 -11.566 4.387 -2.491 46 HG21 VAL 6 3HG2 VAL 6 -11.949 7.559 -0.704 47 HG22 VAL 6 1HG2 VAL 6 -11.346 6.096 0.075 48 HG23 VAL 6 2HG2 VAL 6 -12.680 5.995 -1.075 49 H CYS 7 H CYS 7 -9.018 8.168 0.474 50 HA CYS 7 HA CYS 7 -7.524 6.072 1.827 51 HB2 CYS 7 2HB CYS 7 -8.229 8.918 2.623 52 HB3 CYS 7 1HB CYS 7 -7.182 7.837 3.546 53 HG CYS 7 HG CYS 7 -5.728 7.635 0.843 54 H GLY 8 H GLY 8 -8.405 5.899 4.416 55 HA2 GLY 8 2HA GLY 8 -10.567 4.294 4.137 56 HA3 GLY 8 1HA GLY 8 -10.028 5.035 5.633 57 H LEU 9 H LEU 9 -12.634 4.400 4.233 58 HA LEU 9 HA LEU 9 -14.074 6.702 5.144 59 HB2 LEU 9 2HB LEU 9 -13.459 6.566 2.465 60 HB3 LEU 9 1HB LEU 9 -14.872 5.542 2.505 61 HG LEU 9 HG LEU 9 -15.509 7.759 1.818 62 HD11 LEU 9 1HD1 LEU 9 -16.426 7.296 4.633 63 HD12 LEU 9 2HD1 LEU 9 -17.121 6.599 3.165 64 HD13 LEU 9 3HD1 LEU 9 -17.201 8.339 3.438 65 HD21 LEU 9 3HD2 LEU 9 -15.207 9.721 3.235 66 HD22 LEU 9 1HD2 LEU 9 -13.667 9.007 2.763 67 HD23 LEU 9 2HD2 LEU 9 -14.297 8.751 4.392 68 H THR 10 H THR 10 -16.368 5.795 5.532 69 HA THR 10 HA THR 10 -16.096 2.896 5.784 70 HB THR 10 HB THR 10 -15.811 4.160 7.944 71 HG1 THR 10 1HG THR 10 -18.130 2.521 7.897 72 HG21 THR 10 3HG2 THR 10 -17.392 5.984 7.568 73 HG22 THR 10 1HG2 THR 10 -17.828 5.096 9.030 74 HG23 THR 10 2HG2 THR 10 -18.733 4.837 7.540 75 H ARG 11 H ARG 11 -17.504 5.030 4.004 76 HA ARG 11 HA ARG 11 -20.062 3.705 4.132 77 HB2 ARG 11 2HB ARG 11 -19.581 6.516 3.137 78 HB3 ARG 11 1HB ARG 11 -21.136 5.700 3.172 79 HG2 ARG 11 2HG ARG 11 -20.917 5.545 5.646 80 HG3 ARG 11 1HG ARG 11 -19.462 6.534 5.525 81 HD2 ARG 11 2HD ARG 11 -22.255 7.300 4.699 82 HD3 ARG 11 1HD ARG 11 -21.368 7.903 6.097 83 HE ARG 11 HE ARG 11 -19.895 8.491 3.780 84 HH11 ARG 11 1HH1 ARG 11 -22.874 9.441 5.412 85 HH12 ARG 11 2HH1 ARG 11 -22.930 10.990 4.701 86 HH21 ARG 11 1HH2 ARG 11 -19.987 10.584 2.770 87 HH22 ARG 11 2HH2 ARG 11 -21.245 11.664 3.179 88 H GLY 12 H GLY 12 -20.228 2.346 2.496 89 HA2 GLY 12 2HA GLY 12 -18.572 2.054 0.308 90 HA3 GLY 12 1HA GLY 12 -20.222 1.447 0.446 91 H GLN 13 H GLN 13 -21.576 3.841 0.529 92 HA GLN 13 HA GLN 13 -21.992 4.387 -2.231 93 HB2 GLN 13 2HB GLN 13 -22.872 6.224 0.003 94 HB3 GLN 13 1HB GLN 13 -23.624 5.999 -1.555 95 HG2 GLN 13 2HG GLN 13 -25.087 4.997 -0.019 96 HG3 GLN 13 1HG GLN 13 -24.216 3.641 -0.727 97 HE21 GLN 13 1HE2 GLN 13 -22.844 2.458 0.550 98 HE22 GLN 13 2HE2 GLN 13 -22.716 2.647 2.256 99 H ASP 14 H ASP 14 -20.036 5.699 0.182 100 HA ASP 14 HA ASP 14 -19.581 8.270 -1.102 101 HB2 ASP 14 2HB ASP 14 -19.864 7.837 1.392 102 HB3 ASP 14 1HB ASP 14 -18.294 7.101 1.367 103 H ALA 15 H ALA 15 -17.779 5.455 0.034 104 HA ALA 15 HA ALA 15 -15.249 6.013 -0.994 105 HB1 ALA 15 1HB ALA 15 -16.590 3.360 -0.474 106 HB2 ALA 15 2HB ALA 15 -15.574 4.258 0.642 107 HB3 ALA 15 3HB ALA 15 -14.878 3.557 -0.839 108 H LYS 16 H LYS 16 -18.057 4.528 -2.503 109 HA LYS 16 HA LYS 16 -16.741 3.475 -4.703 110 HB2 LYS 16 2HB LYS 16 -18.812 3.037 -5.726 111 HB3 LYS 16 1HB LYS 16 -19.061 2.850 -4.014 112 HG2 LYS 16 2HG LYS 16 -20.994 3.950 -4.640 113 HG3 LYS 16 1HG LYS 16 -19.975 5.323 -4.205 114 HD2 LYS 16 2HD LYS 16 -19.384 5.665 -6.533 115 HD3 LYS 16 1HD LYS 16 -20.304 4.242 -7.012 116 HE2 LYS 16 2HE LYS 16 -22.338 5.377 -6.089 117 HE3 LYS 16 1HE LYS 16 -21.360 6.824 -5.871 118 HZ1 LYS 16 3HZ LYS 16 -21.962 5.450 -8.427 119 HZ2 LYS 16 1HZ LYS 16 -20.945 6.798 -8.342 120 HZ3 LYS 16 2HZ LYS 16 -22.558 6.930 -7.921 121 H ALA 17 H ALA 17 -17.458 6.745 -4.036 122 HA ALA 17 HA ALA 17 -17.662 7.874 -6.548 123 HB1 ALA 17 1HB ALA 17 -17.857 9.145 -4.471 124 HB2 ALA 17 2HB ALA 17 -16.697 9.897 -5.570 125 HB3 ALA 17 3HB ALA 17 -16.128 8.961 -4.191 126 H ALA 18 H ALA 18 -14.874 6.539 -4.968 127 HA ALA 18 HA ALA 18 -12.911 7.558 -6.759 128 HB1 ALA 18 1HB ALA 18 -11.453 5.889 -5.695 129 HB2 ALA 18 2HB ALA 18 -12.875 5.186 -4.909 130 HB3 ALA 18 3HB ALA 18 -12.374 6.821 -4.512 131 H TYR 19 H TYR 19 -14.696 4.543 -6.483 132 HA TYR 19 HA TYR 19 -13.548 3.341 -8.788 133 HB2 TYR 19 2HB TYR 19 -14.420 1.645 -7.588 134 HB3 TYR 19 1HB TYR 19 -15.599 2.666 -6.798 135 HD1 TYR 19 2HD TYR 19 -14.878 0.641 -9.806 136 HD2 TYR 19 1HD TYR 19 -17.846 2.693 -7.586 137 HE1 TYR 19 2HE TYR 19 -16.627 -0.399 -11.203 138 HE2 TYR 19 1HE TYR 19 -19.608 1.669 -8.962 139 HH TYR 19 HH TYR 19 -18.993 -0.938 -11.043 140 H ASP 20 H ASP 20 -16.250 5.294 -8.117 141 HA ASP 20 HA ASP 20 -17.680 5.268 -10.534 142 HB2 ASP 20 2HB ASP 20 -18.465 6.198 -8.388 143 HB3 ASP 20 1HB ASP 20 -17.264 7.469 -8.507 144 H ALA 21 H ALA 21 -14.690 6.758 -9.629 145 HA ALA 21 HA ALA 21 -14.572 8.640 -11.781 146 HB1 ALA 21 1HB ALA 21 -12.389 7.624 -9.994 147 HB2 ALA 21 2HB ALA 21 -13.411 9.023 -9.651 148 HB3 ALA 21 3HB ALA 21 -12.295 9.053 -11.024 149 H GLY 22 H GLY 22 -14.001 5.258 -11.582 150 HA2 GLY 22 2HA GLY 22 -13.768 4.634 -14.123 151 HA3 GLY 22 1HA GLY 22 -12.190 5.350 -13.881 152 H ALA 23 H ALA 23 -13.309 3.804 -11.116 153 HA ALA 23 HA ALA 23 -12.659 1.941 -9.932 154 HB1 ALA 23 1HB ALA 23 -12.566 0.608 -12.642 155 HB2 ALA 23 2HB ALA 23 -14.026 0.830 -11.692 156 HB3 ALA 23 3HB ALA 23 -12.724 -0.198 -11.081 157 H ILE 24 H ILE 24 -10.694 3.721 -11.162 158 HA ILE 24 HA ILE 24 -8.466 2.453 -12.201 159 HB ILE 24 HB ILE 24 -8.412 5.024 -10.631 160 HG12 ILE 24 2HG1 ILE 24 -9.018 4.607 -13.579 161 HG13 ILE 24 1HG1 ILE 24 -10.208 5.051 -12.363 162 HG21 ILE 24 1HG2 ILE 24 -6.537 5.567 -12.110 163 HG22 ILE 24 2HG2 ILE 24 -6.667 3.982 -12.869 164 HG23 ILE 24 3HG2 ILE 24 -6.210 4.112 -11.167 165 HD11 ILE 24 3HD1 ILE 24 -7.837 6.707 -13.202 166 HD12 ILE 24 1HD1 ILE 24 -9.024 7.155 -11.978 167 HD13 ILE 24 2HD1 ILE 24 -9.520 6.979 -13.663 168 H TYR 25 H TYR 25 -8.556 3.802 -8.940 169 HA TYR 25 HA TYR 25 -7.406 1.581 -7.600 170 HB2 TYR 25 2HB TYR 25 -5.157 1.818 -7.948 171 HB3 TYR 25 1HB TYR 25 -5.594 2.860 -9.272 172 HD1 TYR 25 1HD TYR 25 -4.571 2.694 -5.832 173 HD2 TYR 25 2HD TYR 25 -5.192 5.201 -9.170 174 HE1 TYR 25 1HE TYR 25 -3.373 4.389 -4.713 175 HE2 TYR 25 2HE TYR 25 -3.968 6.994 -8.075 176 HH TYR 25 HH TYR 25 -3.112 7.690 -6.012 177 H GLY 26 H GLY 26 -6.987 2.014 -5.405 178 HA2 GLY 26 2HA GLY 26 -7.832 4.654 -4.533 179 HA3 GLY 26 1HA GLY 26 -8.495 3.187 -3.776 180 H GLY 27 H GLY 27 -6.746 5.305 -2.604 181 HA2 GLY 27 2HA GLY 27 -4.328 3.707 -2.147 182 HA3 GLY 27 1HA GLY 27 -4.261 5.458 -2.353 183 H LEU 28 H LEU 28 -5.003 2.848 -0.321 184 HA LEU 28 HA LEU 28 -5.661 4.674 1.822 185 HB2 LEU 28 2HB LEU 28 -7.078 2.711 2.599 186 HB3 LEU 28 1HB LEU 28 -7.672 3.636 1.232 187 HG LEU 28 HG LEU 28 -6.446 1.824 -0.163 188 HD11 LEU 28 1HD1 LEU 28 -5.326 0.680 1.411 189 HD12 LEU 28 2HD1 LEU 28 -6.583 -0.426 0.836 190 HD13 LEU 28 3HD1 LEU 28 -6.744 0.400 2.421 191 HD21 LEU 28 3HD2 LEU 28 -8.451 0.502 -0.308 192 HD22 LEU 28 1HD2 LEU 28 -8.772 2.232 -0.293 193 HD23 LEU 28 2HD2 LEU 28 -9.087 1.268 1.170 194 H ILE 29 H ILE 29 -4.997 3.891 3.838 195 HA ILE 29 HA ILE 29 -2.859 1.957 3.586 196 HB ILE 29 HB ILE 29 -1.818 3.128 5.624 197 HG12 ILE 29 2HG1 ILE 29 -3.331 5.418 4.327 198 HG13 ILE 29 1HG1 ILE 29 -3.619 4.797 5.946 199 HG21 ILE 29 1HG2 ILE 29 -0.431 4.328 4.028 200 HG22 ILE 29 2HG2 ILE 29 -1.712 4.057 2.798 201 HG23 ILE 29 3HG2 ILE 29 -0.943 2.680 3.598 202 HD11 ILE 29 3HD1 ILE 29 -1.378 5.499 6.614 203 HD12 ILE 29 1HD1 ILE 29 -2.333 6.852 6.006 204 HD13 ILE 29 2HD1 ILE 29 -1.091 6.118 4.989 205 H PHE 30 H PHE 30 -2.193 0.794 5.279 206 HA PHE 30 HA PHE 30 -4.578 -0.303 6.593 207 HB2 PHE 30 2HB PHE 30 -1.764 -1.406 6.835 208 HB3 PHE 30 1HB PHE 30 -3.249 -2.208 7.297 209 HD1 PHE 30 2HD PHE 30 -4.668 -3.304 5.564 210 HD2 PHE 30 1HD PHE 30 -1.043 -1.271 4.603 211 HE1 PHE 30 2HE PHE 30 -4.625 -4.382 3.304 212 HE2 PHE 30 1HE PHE 30 -0.999 -2.344 2.438 213 HZ PHE 30 HZ PHE 30 -2.756 -3.845 1.765 214 H VAL 31 H VAL 31 -4.814 1.570 7.994 215 HA VAL 31 HA VAL 31 -3.025 1.280 10.282 216 HB VAL 31 HB VAL 31 -4.812 3.673 9.684 217 HG11 VAL 31 1HG1 VAL 31 -4.503 3.230 12.064 218 HG12 VAL 31 2HG1 VAL 31 -3.668 4.718 11.589 219 HG13 VAL 31 3HG1 VAL 31 -2.755 3.225 11.849 220 HG21 VAL 31 3HG2 VAL 31 -2.902 3.546 8.156 221 HG22 VAL 31 1HG2 VAL 31 -1.809 3.392 9.532 222 HG23 VAL 31 2HG2 VAL 31 -2.715 4.888 9.286 223 H ALA 32 H ALA 32 -3.755 0.334 11.924 224 HA ALA 32 HA ALA 32 -6.021 -1.189 11.869 225 HB1 ALA 32 1HB ALA 32 -4.039 -1.676 13.216 226 HB2 ALA 32 2HB ALA 32 -5.535 -1.800 14.139 227 HB3 ALA 32 3HB ALA 32 -4.497 -0.384 14.325 228 H THR 33 H THR 33 -7.871 -0.367 11.600 229 HA THR 33 HA THR 33 -9.903 0.388 12.035 230 HB THR 33 HB THR 33 -10.703 0.478 14.392 231 HG1 THR 33 1HG THR 33 -7.993 0.630 14.920 232 HG21 THR 33 3HG2 THR 33 -8.969 -1.874 13.674 233 HG22 THR 33 1HG2 THR 33 -10.655 -1.647 13.214 234 HG23 THR 33 2HG2 THR 33 -10.228 -1.899 14.911 235 H SER 34 H SER 34 -7.879 2.387 11.425 236 HA SER 34 HA SER 34 -9.104 4.687 12.747 237 HB2 SER 34 2HB SER 34 -6.533 4.504 11.163 238 HB3 SER 34 1HB SER 34 -7.088 5.864 12.149 239 HG SER 34 HG SER 34 -6.788 3.331 13.293 240 HA PRO 35 HA PRO 35 -11.335 4.299 8.946 241 HB2 PRO 35 2HB PRO 35 -13.105 6.327 9.411 242 HB3 PRO 35 1HB PRO 35 -13.263 4.695 10.068 243 HG2 PRO 35 2HG PRO 35 -12.211 7.164 11.367 244 HG3 PRO 35 1HG PRO 35 -13.245 5.891 12.036 245 HD2 PRO 35 2HD PRO 35 -10.608 6.042 12.553 246 HD3 PRO 35 1HD PRO 35 -11.466 4.491 12.465 247 H ARG 36 H ARG 36 -9.210 6.675 9.675 248 HA ARG 36 HA ARG 36 -9.734 8.333 7.327 249 HB2 ARG 36 2HB ARG 36 -7.320 8.184 9.153 250 HB3 ARG 36 1HB ARG 36 -7.489 9.316 7.825 251 HG2 ARG 36 2HG ARG 36 -9.416 10.338 8.983 252 HG3 ARG 36 1HG ARG 36 -9.166 9.217 10.331 253 HD2 ARG 36 2HD ARG 36 -6.939 10.089 10.687 254 HD3 ARG 36 1HD ARG 36 -7.097 11.135 9.281 255 HE ARG 36 HE ARG 36 -9.116 11.612 11.236 256 HH11 ARG 36 1HH1 ARG 36 -5.742 12.292 10.424 257 HH12 ARG 36 2HH1 ARG 36 -5.684 13.767 11.265 258 HH21 ARG 36 1HH2 ARG 36 -9.043 13.630 12.398 259 HH22 ARG 36 2HH2 ARG 36 -7.626 14.562 12.424 260 H CYS 37 H CYS 37 -8.482 5.309 8.019 261 HA CYS 37 HA CYS 37 -7.087 5.073 5.505 262 HB2 CYS 37 2HB CYS 37 -6.231 4.028 8.208 263 HB3 CYS 37 1HB CYS 37 -5.352 3.854 6.693 264 HG CYS 37 HG CYS 37 -5.608 6.956 6.816 265 H VAL 38 H VAL 38 -6.975 2.412 5.241 266 HA VAL 38 HA VAL 38 -9.132 1.302 6.753 267 HB VAL 38 HB VAL 38 -9.286 1.931 3.863 268 HG11 VAL 38 1HG1 VAL 38 -8.840 -0.460 3.657 269 HG12 VAL 38 2HG1 VAL 38 -10.516 -0.087 3.245 270 HG13 VAL 38 3HG1 VAL 38 -10.124 -0.803 4.810 271 HG21 VAL 38 3HG2 VAL 38 -11.674 1.746 4.291 272 HG22 VAL 38 1HG2 VAL 38 -10.892 2.735 5.526 273 HG23 VAL 38 2HG2 VAL 38 -11.351 1.068 5.881 274 H ASN 39 H ASN 39 -8.893 -0.646 7.240 275 HA ASN 39 HA ASN 39 -6.533 -2.116 6.307 276 HB2 ASN 39 2HB ASN 39 -6.861 -3.437 8.466 277 HB3 ASN 39 1HB ASN 39 -6.186 -1.837 8.651 278 HD21 ASN 39 1HD2 ASN 39 -8.686 -3.936 9.350 279 HD22 ASN 39 2HD2 ASN 39 -9.630 -2.863 10.329 280 H VAL 40 H VAL 40 -6.792 -4.457 6.371 281 HA VAL 40 HA VAL 40 -8.416 -5.109 4.330 282 HB VAL 40 HB VAL 40 -6.501 -6.410 5.180 283 HG11 VAL 40 1HG1 VAL 40 -6.784 -8.137 6.873 284 HG12 VAL 40 2HG1 VAL 40 -8.391 -7.496 7.225 285 HG13 VAL 40 3HG1 VAL 40 -6.967 -6.502 7.507 286 HG21 VAL 40 3HG2 VAL 40 -7.407 -8.695 4.692 287 HG22 VAL 40 1HG2 VAL 40 -7.748 -7.460 3.483 288 HG23 VAL 40 2HG2 VAL 40 -9.007 -7.958 4.613 289 H GLU 41 H GLU 41 -9.308 -5.106 7.766 290 HA GLU 41 HA GLU 41 -11.597 -6.664 7.495 291 HB2 GLU 41 2HB GLU 41 -10.669 -4.676 9.473 292 HB3 GLU 41 1HB GLU 41 -12.118 -5.654 9.718 293 HG2 GLU 41 2HG GLU 41 -10.712 -7.087 10.727 294 HG3 GLU 41 1HG GLU 41 -10.189 -7.500 9.107 295 H GLN 42 H GLN 42 -11.191 -3.044 7.336 296 HA GLN 42 HA GLN 42 -14.019 -2.728 6.921 297 HB2 GLN 42 2HB GLN 42 -11.648 -0.939 6.492 298 HB3 GLN 42 1HB GLN 42 -13.319 -0.430 6.272 299 HG2 GLN 42 2HG GLN 42 -13.745 -0.456 8.513 300 HG3 GLN 42 1HG GLN 42 -12.425 -1.602 8.861 301 HE21 GLN 42 1HE2 GLN 42 -10.422 -0.877 8.890 302 HE22 GLN 42 2HE2 GLN 42 -10.055 0.782 9.050 303 H ALA 43 H ALA 43 -11.130 -3.111 5.056 304 HA ALA 43 HA ALA 43 -12.056 -2.149 2.612 305 HB1 ALA 43 1HB ALA 43 -10.103 -3.188 1.653 306 HB2 ALA 43 2HB ALA 43 -9.904 -4.170 3.107 307 HB3 ALA 43 3HB ALA 43 -9.696 -2.424 3.194 308 H GLN 44 H GLN 44 -12.337 -5.475 4.020 309 HA GLN 44 HA GLN 44 -13.039 -6.617 1.732 310 HB2 GLN 44 2HB GLN 44 -14.330 -8.045 3.354 311 HB3 GLN 44 1HB GLN 44 -12.545 -8.120 3.211 312 HG2 GLN 44 2HG GLN 44 -13.071 -6.381 5.263 313 HG3 GLN 44 1HG GLN 44 -14.360 -7.581 5.408 314 HE21 GLN 44 1HE2 GLN 44 -11.171 -8.238 3.991 315 HE22 GLN 44 2HE2 GLN 44 -10.685 -9.297 5.212 316 H GLU 45 H GLU 45 -14.893 -4.784 3.932 317 HA GLU 45 HA GLU 45 -17.523 -5.251 2.901 318 HB2 GLU 45 2HB GLU 45 -16.394 -2.765 4.124 319 HB3 GLU 45 1HB GLU 45 -18.106 -3.155 4.009 320 HG2 GLU 45 2HG GLU 45 -16.043 -4.559 5.698 321 HG3 GLU 45 1HG GLU 45 -17.333 -3.506 6.274 322 H VAL 46 H VAL 46 -15.045 -2.840 2.400 323 HA VAL 46 HA VAL 46 -16.413 -1.173 0.594 324 HB VAL 46 HB VAL 46 -13.413 -1.437 0.962 325 HG11 VAL 46 1HG1 VAL 46 -15.083 0.840 -0.022 326 HG12 VAL 46 2HG1 VAL 46 -14.005 -0.163 -1.011 327 HG13 VAL 46 3HG1 VAL 46 -13.340 0.893 0.254 328 HG21 VAL 46 3HG2 VAL 46 -14.458 -1.039 3.102 329 HG22 VAL 46 1HG2 VAL 46 -15.384 0.311 2.434 330 HG23 VAL 46 2HG2 VAL 46 -13.626 0.415 2.562 331 H MET 47 H MET 47 -14.428 -4.005 0.095 332 HA MET 47 HA MET 47 -13.949 -3.618 -2.665 333 HB2 MET 47 2HB MET 47 -13.137 -5.864 -2.775 334 HB3 MET 47 1HB MET 47 -12.654 -5.218 -1.217 335 HG2 MET 47 2HG MET 47 -14.507 -6.433 -0.170 336 HG3 MET 47 1HG MET 47 -14.947 -7.091 -1.741 337 HE1 MET 47 3HE MET 47 -14.865 -9.545 -0.977 338 HE2 MET 47 1HE MET 47 -14.531 -9.014 0.670 339 HE3 MET 47 2HE MET 47 -13.545 -10.276 -0.068 340 H ALA 48 H ALA 48 -16.748 -4.544 -1.032 341 HA ALA 48 HA ALA 48 -17.966 -5.808 -3.345 342 HB1 ALA 48 1HB ALA 48 -19.895 -6.114 -1.871 343 HB2 ALA 48 2HB ALA 48 -19.102 -5.145 -0.629 344 HB3 ALA 48 3HB ALA 48 -18.420 -6.698 -1.099 345 H ALA 49 H ALA 49 -17.550 -2.730 -2.014 346 HA ALA 49 HA ALA 49 -20.002 -1.688 -3.214 347 HB1 ALA 49 1HB ALA 49 -19.582 0.336 -1.929 348 HB2 ALA 49 2HB ALA 49 -18.050 -0.331 -1.363 349 HB3 ALA 49 3HB ALA 49 -19.572 -1.085 -0.882 350 H ALA 50 H ALA 50 -16.378 -1.224 -3.329 351 HA ALA 50 HA ALA 50 -16.845 0.215 -5.749 352 HB1 ALA 50 1HB ALA 50 -14.837 0.756 -3.575 353 HB2 ALA 50 2HB ALA 50 -16.272 1.717 -3.901 354 HB3 ALA 50 3HB ALA 50 -14.976 1.632 -5.102 355 HA PRO 51 HA PRO 51 -14.148 -3.364 -6.515 356 HB2 PRO 51 2HB PRO 51 -14.911 -3.695 -9.125 357 HB3 PRO 51 1HB PRO 51 -15.740 -4.436 -7.751 358 HG2 PRO 51 2HG PRO 51 -16.489 -2.049 -9.357 359 HG3 PRO 51 1HG PRO 51 -17.524 -3.269 -8.598 360 HD2 PRO 51 2HD PRO 51 -17.066 -0.751 -7.596 361 HD3 PRO 51 1HD PRO 51 -17.591 -2.135 -6.622 362 H LEU 52 H LEU 52 -13.042 -1.073 -6.305 363 HA LEU 52 HA LEU 52 -11.632 -0.435 -8.788 364 HB2 LEU 52 2HB LEU 52 -10.542 1.290 -7.167 365 HB3 LEU 52 1HB LEU 52 -12.121 1.668 -7.802 366 HG LEU 52 HG LEU 52 -12.892 0.509 -5.529 367 HD11 LEU 52 1HD1 LEU 52 -10.128 1.356 -4.782 368 HD12 LEU 52 2HD1 LEU 52 -10.785 -0.287 -4.812 369 HD13 LEU 52 3HD1 LEU 52 -11.430 0.900 -3.681 370 HD21 LEU 52 3HD2 LEU 52 -11.755 3.297 -5.591 371 HD22 LEU 52 1HD2 LEU 52 -12.843 2.646 -4.355 372 HD23 LEU 52 2HD2 LEU 52 -13.405 2.784 -6.006 373 H GLN 53 H GLN 53 -9.114 0.063 -8.231 374 HA GLN 53 HA GLN 53 -7.964 -2.430 -7.315 375 HB2 GLN 53 2HB GLN 53 -6.767 -1.721 -9.128 376 HB3 GLN 53 1HB GLN 53 -7.135 -0.028 -8.829 377 HG2 GLN 53 2HG GLN 53 -5.591 -0.004 -7.019 378 HG3 GLN 53 1HG GLN 53 -5.227 -1.704 -7.325 379 HE21 GLN 53 1HE2 GLN 53 -3.060 -0.878 -7.508 380 HE22 GLN 53 2HE2 GLN 53 -2.483 -0.235 -9.017 381 H TYR 54 H TYR 54 -6.693 -2.678 -5.493 382 HA TYR 54 HA TYR 54 -6.859 -0.424 -3.615 383 HB2 TYR 54 2HB TYR 54 -6.543 -3.340 -2.875 384 HB3 TYR 54 1HB TYR 54 -7.012 -2.004 -1.824 385 HD1 TYR 54 2HD TYR 54 -9.299 -0.982 -2.112 386 HD2 TYR 54 1HD TYR 54 -8.120 -4.539 -4.104 387 HE1 TYR 54 2HE TYR 54 -11.653 -1.462 -2.663 388 HE2 TYR 54 1HE TYR 54 -10.439 -5.020 -4.655 389 HH TYR 54 HH TYR 54 -12.931 -2.675 -4.251 390 H VAL 55 H VAL 55 -5.032 0.238 -2.663 391 HA VAL 55 HA VAL 55 -2.666 -1.359 -3.100 392 HB VAL 55 HB VAL 55 -2.624 0.471 -4.831 393 HG11 VAL 55 1HG1 VAL 55 -3.827 2.198 -3.664 394 HG12 VAL 55 2HG1 VAL 55 -2.218 2.774 -4.127 395 HG13 VAL 55 3HG1 VAL 55 -2.543 2.305 -2.458 396 HG21 VAL 55 3HG2 VAL 55 -0.378 1.241 -4.394 397 HG22 VAL 55 1HG2 VAL 55 -0.552 -0.452 -3.937 398 HG23 VAL 55 2HG2 VAL 55 -0.543 0.797 -2.694 399 H GLY 56 H GLY 56 -1.315 -1.312 -1.458 400 HA2 GLY 56 2HA GLY 56 -2.274 0.176 0.943 401 HA3 GLY 56 1HA GLY 56 -1.755 -1.538 0.907 402 H VAL 57 H VAL 57 -0.929 1.047 2.170 403 HA VAL 57 HA VAL 57 1.955 0.638 1.719 404 HB VAL 57 HB VAL 57 0.732 3.245 2.683 405 HG11 VAL 57 1HG1 VAL 57 2.892 4.246 2.173 406 HG12 VAL 57 2HG1 VAL 57 3.512 2.653 1.740 407 HG13 VAL 57 3HG1 VAL 57 2.982 2.974 3.389 408 HG21 VAL 57 3HG2 VAL 57 1.175 4.241 0.471 409 HG22 VAL 57 1HG2 VAL 57 -0.037 2.963 0.399 410 HG23 VAL 57 2HG2 VAL 57 1.607 2.646 -0.146 411 H PHE 58 H PHE 58 3.013 0.134 3.590 412 HA PHE 58 HA PHE 58 2.065 1.028 6.152 413 HB2 PHE 58 2HB PHE 58 0.435 -0.773 5.719 414 HB3 PHE 58 1HB PHE 58 1.741 -1.928 5.494 415 HD1 PHE 58 2HD PHE 58 0.710 0.593 8.060 416 HD2 PHE 58 1HD PHE 58 1.978 -3.389 7.263 417 HE1 PHE 58 2HE PHE 58 0.576 0.073 10.461 418 HE2 PHE 58 1HE PHE 58 1.847 -3.915 9.661 419 HZ PHE 58 HZ PHE 58 1.145 -2.183 11.261 420 H ARG 59 H ARG 59 3.514 0.371 7.888 421 HA ARG 59 HA ARG 59 6.121 -0.393 6.906 422 HB2 ARG 59 2HB ARG 59 5.152 0.371 9.691 423 HB3 ARG 59 1HB ARG 59 6.793 -0.155 9.353 424 HG2 ARG 59 2HG ARG 59 7.026 1.783 7.803 425 HG3 ARG 59 1HG ARG 59 5.436 2.330 8.325 426 HD2 ARG 59 2HD ARG 59 7.310 3.463 9.514 427 HD3 ARG 59 1HD ARG 59 6.215 2.609 10.595 428 HE ARG 59 HE ARG 59 7.848 0.814 10.674 429 HH11 ARG 59 1HH1 ARG 59 9.095 3.990 9.661 430 HH12 ARG 59 2HH1 ARG 59 10.669 3.708 10.218 431 HH21 ARG 59 1HH2 ARG 59 10.038 0.428 11.388 432 HH22 ARG 59 2HH2 ARG 59 11.228 1.634 11.197 433 H ASN 60 H ASN 60 6.034 -2.455 6.341 434 HA ASN 60 HA ASN 60 4.449 -4.254 7.839 435 HB2 ASN 60 2HB ASN 60 5.867 -4.575 5.189 436 HB3 ASN 60 1HB ASN 60 4.891 -5.815 5.969 437 HD21 ASN 60 1HD2 ASN 60 4.870 -2.913 4.109 438 HD22 ASN 60 2HD2 ASN 60 3.164 -2.851 3.870 439 H HIS 61 H HIS 61 5.178 -5.409 9.002 440 HA HIS 61 HA HIS 61 8.058 -5.697 9.556 441 HB2 HIS 61 2HB HIS 61 5.756 -6.766 11.205 442 HB3 HIS 61 1HB HIS 61 7.435 -6.652 11.704 443 HD1 HIS 61 1HD HIS 61 4.543 -5.169 12.667 444 HD2 HIS 61 2HD HIS 61 8.056 -3.569 11.152 445 HE1 HIS 61 1HE HIS 61 4.573 -2.755 13.380 446 H ASP 62 H ASP 62 5.200 -7.775 9.389 447 HA ASP 62 HA ASP 62 6.952 -10.052 8.839 448 HB2 ASP 62 2HB ASP 62 5.406 -10.260 10.755 449 HB3 ASP 62 1HB ASP 62 4.055 -10.072 9.643 450 H ILE 63 H ILE 63 7.149 -10.832 6.988 451 HA ILE 63 HA ILE 63 5.815 -9.806 4.721 452 HB ILE 63 HB ILE 63 8.108 -10.650 4.581 453 HG12 ILE 63 2HG1 ILE 63 6.377 -12.476 2.919 454 HG13 ILE 63 1HG1 ILE 63 6.558 -10.756 2.597 455 HG21 ILE 63 1HG2 ILE 63 8.015 -12.423 6.217 456 HG22 ILE 63 2HG2 ILE 63 8.627 -13.044 4.683 457 HG23 ILE 63 3HG2 ILE 63 6.965 -13.372 5.166 458 HD11 ILE 63 3HD1 ILE 63 8.037 -12.128 1.169 459 HD12 ILE 63 1HD1 ILE 63 8.777 -12.818 2.605 460 HD13 ILE 63 2HD1 ILE 63 8.979 -11.111 2.238 461 H ALA 64 H ALA 64 5.082 -12.475 6.801 462 HA ALA 64 HA ALA 64 3.322 -13.673 4.859 463 HB1 ALA 64 1HB ALA 64 2.769 -15.278 6.624 464 HB2 ALA 64 2HB ALA 64 3.657 -14.305 7.796 465 HB3 ALA 64 3HB ALA 64 4.517 -15.092 6.475 466 H ASP 65 H ASP 65 3.187 -11.157 7.004 467 HA ASP 65 HA ASP 65 0.319 -11.254 7.521 468 HB2 ASP 65 2HB ASP 65 1.592 -10.366 9.345 469 HB3 ASP 65 1HB ASP 65 2.465 -9.270 8.281 470 H VAL 66 H VAL 66 2.628 -9.468 5.633 471 HA VAL 66 HA VAL 66 0.607 -7.792 4.540 472 HB VAL 66 HB VAL 66 2.942 -6.966 4.784 473 HG11 VAL 66 1HG1 VAL 66 4.670 -7.582 3.252 474 HG12 VAL 66 2HG1 VAL 66 3.631 -8.846 2.578 475 HG13 VAL 66 3HG1 VAL 66 4.145 -8.928 4.267 476 HG21 VAL 66 3HG2 VAL 66 1.377 -5.919 3.213 477 HG22 VAL 66 1HG2 VAL 66 1.982 -6.964 1.929 478 HG23 VAL 66 2HG2 VAL 66 3.051 -5.777 2.703 479 H VAL 67 H VAL 67 2.278 -10.708 3.454 480 HA VAL 67 HA VAL 67 1.117 -10.664 0.855 481 HB VAL 67 HB VAL 67 2.275 -12.993 2.448 482 HG11 VAL 67 1HG1 VAL 67 1.446 -12.952 -0.467 483 HG12 VAL 67 2HG1 VAL 67 0.641 -13.864 0.811 484 HG13 VAL 67 3HG1 VAL 67 2.291 -14.269 0.345 485 HG21 VAL 67 3HG2 VAL 67 3.874 -11.276 1.794 486 HG22 VAL 67 1HG2 VAL 67 3.345 -11.398 0.117 487 HG23 VAL 67 2HG2 VAL 67 4.150 -12.758 0.880 488 H ASP 68 H ASP 68 0.117 -11.842 3.935 489 HA ASP 68 HA ASP 68 -2.224 -13.213 3.398 490 HB2 ASP 68 2HB ASP 68 -1.355 -13.061 5.635 491 HB3 ASP 68 1HB ASP 68 -1.445 -11.313 5.614 492 H LYS 69 H LYS 69 -1.815 -9.735 3.993 493 HA LYS 69 HA LYS 69 -4.495 -8.994 3.473 494 HB2 LYS 69 2HB LYS 69 -2.056 -7.237 3.146 495 HB3 LYS 69 1HB LYS 69 -3.706 -6.701 3.411 496 HG2 LYS 69 2HG LYS 69 -1.999 -8.226 5.353 497 HG3 LYS 69 1HG LYS 69 -2.395 -6.506 5.427 498 HD2 LYS 69 2HD LYS 69 -4.707 -7.001 5.762 499 HD3 LYS 69 1HD LYS 69 -4.428 -8.726 5.506 500 HE2 LYS 69 2HE LYS 69 -3.291 -7.050 7.706 501 HE3 LYS 69 1HE LYS 69 -4.655 -8.148 7.857 502 HZ1 LYS 69 3HZ LYS 69 -3.216 -9.997 7.210 503 HZ2 LYS 69 1HZ LYS 69 -2.588 -9.253 8.599 504 HZ3 LYS 69 2HZ LYS 69 -1.886 -8.958 7.117 505 H ALA 70 H ALA 70 -1.636 -9.055 1.465 506 HA ALA 70 HA ALA 70 -2.554 -7.834 -0.874 507 HB1 ALA 70 1HB ALA 70 -0.700 -8.988 -1.958 508 HB2 ALA 70 2HB ALA 70 -0.583 -10.099 -0.599 509 HB3 ALA 70 3HB ALA 70 -0.211 -8.393 -0.372 510 H LYS 71 H LYS 71 -2.826 -11.150 0.229 511 HA LYS 71 HA LYS 71 -4.101 -12.047 -2.184 512 HB2 LYS 71 2HB LYS 71 -2.662 -13.518 -0.878 513 HB3 LYS 71 1HB LYS 71 -3.755 -13.390 0.492 514 HG2 LYS 71 2HG LYS 71 -5.533 -14.409 -0.890 515 HG3 LYS 71 1HG LYS 71 -4.369 -14.648 -2.181 516 HD2 LYS 71 2HD LYS 71 -4.197 -15.804 0.597 517 HD3 LYS 71 1HD LYS 71 -4.676 -16.681 -0.856 518 HE2 LYS 71 2HE LYS 71 -1.971 -15.437 -0.317 519 HE3 LYS 71 1HE LYS 71 -2.370 -17.148 -0.231 520 HZ1 LYS 71 3HZ LYS 71 -2.891 -17.085 -2.611 521 HZ2 LYS 71 1HZ LYS 71 -1.302 -16.615 -2.299 522 HZ3 LYS 71 2HZ LYS 71 -2.450 -15.456 -2.650 523 H VAL 72 H VAL 72 -5.117 -11.599 1.209 524 HA VAL 72 HA VAL 72 -7.746 -12.464 0.927 525 HB VAL 72 HB VAL 72 -6.707 -10.427 2.929 526 HG11 VAL 72 1HG1 VAL 72 -9.114 -10.324 2.801 527 HG12 VAL 72 2HG1 VAL 72 -8.630 -11.100 4.312 528 HG13 VAL 72 3HG1 VAL 72 -9.229 -12.075 2.968 529 HG21 VAL 72 3HG2 VAL 72 -6.999 -13.429 3.116 530 HG22 VAL 72 1HG2 VAL 72 -6.609 -12.352 4.468 531 HG23 VAL 72 2HG2 VAL 72 -5.505 -12.474 3.110 532 H LEU 73 H LEU 73 -6.639 -9.032 0.919 533 HA LEU 73 HA LEU 73 -9.267 -8.249 0.071 534 HB2 LEU 73 2HB LEU 73 -7.228 -7.018 1.436 535 HB3 LEU 73 1HB LEU 73 -7.121 -6.275 -0.145 536 HG LEU 73 HG LEU 73 -8.479 -4.954 1.412 537 HD11 LEU 73 1HD1 LEU 73 -10.457 -4.626 0.027 538 HD12 LEU 73 2HD1 LEU 73 -10.099 -6.125 -0.834 539 HD13 LEU 73 3HD1 LEU 73 -8.990 -4.757 -0.943 540 HD21 LEU 73 3HD2 LEU 73 -10.709 -5.813 2.064 541 HD22 LEU 73 1HD2 LEU 73 -9.358 -6.625 2.834 542 HD23 LEU 73 2HD2 LEU 73 -10.229 -7.408 1.513 543 H SER 74 H SER 74 -6.589 -9.452 -1.521 544 HA SER 74 HA SER 74 -5.904 -9.550 -3.642 545 HB2 SER 74 2HB SER 74 -8.167 -10.339 -4.144 546 HB3 SER 74 1HB SER 74 -8.770 -8.689 -4.191 547 HG SER 74 HG SER 74 -7.507 -8.337 -6.007 548 H LEU 75 H LEU 75 -4.496 -7.862 -3.025 549 HA LEU 75 HA LEU 75 -5.140 -5.159 -3.773 550 HB2 LEU 75 2HB LEU 75 -2.515 -6.339 -2.877 551 HB3 LEU 75 1HB LEU 75 -2.888 -4.635 -3.008 552 HG LEU 75 HG LEU 75 -4.104 -6.586 -1.065 553 HD11 LEU 75 1HD1 LEU 75 -1.784 -5.893 -0.589 554 HD12 LEU 75 2HD1 LEU 75 -2.955 -5.382 0.614 555 HD13 LEU 75 3HD1 LEU 75 -2.327 -4.207 -0.552 556 HD21 LEU 75 3HD2 LEU 75 -5.209 -4.592 -0.100 557 HD22 LEU 75 1HD2 LEU 75 -5.754 -5.009 -1.728 558 HD23 LEU 75 2HD2 LEU 75 -4.651 -3.658 -1.499 559 H ALA 76 H ALA 76 -3.149 -4.105 -4.917 560 HA ALA 76 HA ALA 76 -2.575 -5.685 -7.328 561 HB1 ALA 76 1HB ALA 76 -3.399 -2.787 -7.292 562 HB2 ALA 76 2HB ALA 76 -4.400 -4.132 -7.845 563 HB3 ALA 76 3HB ALA 76 -2.926 -3.702 -8.721 564 H ALA 77 H ALA 77 -1.736 -3.032 -5.189 565 HA ALA 77 HA ALA 77 1.009 -3.801 -5.535 566 HB1 ALA 77 1HB ALA 77 0.752 -1.946 -7.045 567 HB2 ALA 77 2HB ALA 77 1.685 -1.434 -5.638 568 HB3 ALA 77 3HB ALA 77 -0.005 -0.983 -5.786 569 H VAL 78 H VAL 78 2.273 -3.014 -3.792 570 HA VAL 78 HA VAL 78 0.943 -1.894 -1.479 571 HB VAL 78 HB VAL 78 0.585 -4.251 -1.156 572 HG11 VAL 78 1HG1 VAL 78 2.703 -5.756 -0.965 573 HG12 VAL 78 2HG1 VAL 78 3.513 -4.385 -1.813 574 HG13 VAL 78 3HG1 VAL 78 2.194 -5.231 -2.575 575 HG21 VAL 78 3HG2 VAL 78 1.143 -2.989 0.845 576 HG22 VAL 78 1HG2 VAL 78 2.860 -3.268 0.561 577 HG23 VAL 78 2HG2 VAL 78 1.805 -4.621 0.975 578 H GLN 79 H GLN 79 2.449 -0.720 -0.156 579 HA GLN 79 HA GLN 79 4.965 -0.453 -1.441 580 HB2 GLN 79 2HB GLN 79 3.205 1.280 0.197 581 HB3 GLN 79 1HB GLN 79 4.923 1.608 0.122 582 HG2 GLN 79 2HG GLN 79 3.809 2.956 -1.498 583 HG3 GLN 79 1HG GLN 79 4.757 1.730 -2.328 584 HE21 GLN 79 1HE2 GLN 79 3.594 -0.089 -3.315 585 HE22 GLN 79 2HE2 GLN 79 1.950 0.147 -3.755 586 H LEU 80 H LEU 80 6.675 -1.280 -0.563 587 HA LEU 80 HA LEU 80 6.439 -2.399 2.072 588 HB2 LEU 80 2HB LEU 80 7.657 -3.586 -0.441 589 HB3 LEU 80 1HB LEU 80 7.661 -4.321 1.155 590 HG LEU 80 HG LEU 80 5.092 -3.692 -0.278 591 HD11 LEU 80 1HD1 LEU 80 6.447 -6.375 -0.273 592 HD12 LEU 80 2HD1 LEU 80 6.566 -5.225 -1.586 593 HD13 LEU 80 3HD1 LEU 80 4.989 -5.879 -1.135 594 HD21 LEU 80 3HD2 LEU 80 5.804 -5.560 1.966 595 HD22 LEU 80 1HD2 LEU 80 4.223 -5.387 1.202 596 HD23 LEU 80 2HD2 LEU 80 4.922 -4.032 2.095 597 H HIS 81 H HIS 81 7.524 -0.767 2.845 598 HA HIS 81 HA HIS 81 9.596 0.091 1.106 599 HB2 HIS 81 2HB HIS 81 9.537 2.292 2.234 600 HB3 HIS 81 1HB HIS 81 8.060 1.858 1.405 601 HD1 HIS 81 1HD HIS 81 5.947 1.338 2.992 602 HD2 HIS 81 2HD HIS 81 9.324 2.832 4.898 603 HE1 HIS 81 1HE HIS 81 5.176 2.205 5.212 604 H GLY 82 H GLY 82 11.007 1.226 2.146 605 HA2 GLY 82 2HA GLY 82 13.091 -0.263 3.211 606 HA3 GLY 82 1HA GLY 82 13.049 1.471 3.358 607 H ASN 83 H ASN 83 10.497 0.649 5.086 608 HA ASN 83 HA ASN 83 11.390 1.418 7.533 609 HB2 ASN 83 2HB ASN 83 9.374 0.487 8.518 610 HB3 ASN 83 1HB ASN 83 9.028 1.268 6.987 611 HD21 ASN 83 1HD2 ASN 83 9.156 -1.760 8.701 612 HD22 ASN 83 2HD2 ASN 83 8.318 -2.715 7.541 613 H GLU 84 H GLU 84 11.349 -1.995 6.424 614 HA GLU 84 HA GLU 84 12.199 -2.774 9.095 615 HB2 GLU 84 2HB GLU 84 10.586 -4.012 7.352 616 HB3 GLU 84 1HB GLU 84 12.098 -4.803 6.955 617 HG2 GLU 84 2HG GLU 84 10.694 -4.769 9.624 618 HG3 GLU 84 1HG GLU 84 10.896 -6.135 8.542 619 H GLU 85 H GLU 85 13.562 -3.022 5.787 620 HA GLU 85 HA GLU 85 16.247 -2.776 6.498 621 HB2 GLU 85 2HB GLU 85 15.443 -5.033 7.616 622 HB3 GLU 85 1HB GLU 85 15.477 -5.665 5.986 623 HG2 GLU 85 2HG GLU 85 17.883 -4.321 7.024 624 HG3 GLU 85 1HG GLU 85 17.490 -5.912 7.665 625 H GLN 86 H GLN 86 17.595 -3.729 4.377 626 HA GLN 86 HA GLN 86 16.259 -2.635 2.102 627 HB2 GLN 86 2HB GLN 86 18.941 -3.907 2.588 628 HB3 GLN 86 1HB GLN 86 18.433 -3.208 1.068 629 HG2 GLN 86 2HG GLN 86 18.331 -1.017 2.075 630 HG3 GLN 86 1HG GLN 86 18.687 -1.706 3.661 631 HE21 GLN 86 1HE2 GLN 86 20.754 -2.422 4.095 632 HE22 GLN 86 2HE2 GLN 86 22.111 -2.003 3.132 633 H LEU 87 H LEU 87 17.668 -5.614 3.187 634 HA LEU 87 HA LEU 87 17.096 -7.074 0.851 635 HB2 LEU 87 2HB LEU 87 17.992 -7.995 3.558 636 HB3 LEU 87 1HB LEU 87 18.013 -8.962 2.091 637 HG LEU 87 HG LEU 87 19.458 -6.366 2.338 638 HD11 LEU 87 1HD1 LEU 87 20.489 -9.150 2.877 639 HD12 LEU 87 2HD1 LEU 87 20.357 -7.782 4.005 640 HD13 LEU 87 3HD1 LEU 87 21.505 -7.716 2.673 641 HD21 LEU 87 3HD2 LEU 87 20.772 -7.232 0.450 642 HD22 LEU 87 1HD2 LEU 87 19.060 -7.052 0.078 643 HD23 LEU 87 2HD2 LEU 87 19.729 -8.657 0.401 644 H TYR 88 H TYR 88 15.341 -6.258 3.593 645 HA TYR 88 HA TYR 88 13.510 -8.365 3.761 646 HB2 TYR 88 2HB TYR 88 13.508 -6.539 5.421 647 HB3 TYR 88 1HB TYR 88 13.030 -5.400 4.174 648 HD1 TYR 88 2HD TYR 88 11.746 -8.802 5.064 649 HD2 TYR 88 1HD TYR 88 10.871 -4.666 4.583 650 HE1 TYR 88 2HE TYR 88 9.371 -9.267 5.472 651 HE2 TYR 88 1HE TYR 88 8.484 -5.121 5.023 652 HH TYR 88 HH TYR 88 7.422 -7.986 6.357 653 H ILE 89 H ILE 89 13.577 -5.443 1.752 654 HA ILE 89 HA ILE 89 11.113 -5.847 0.430 655 HB ILE 89 HB ILE 89 13.580 -4.241 -0.261 656 HG12 ILE 89 2HG1 ILE 89 11.985 -2.298 -0.046 657 HG13 ILE 89 1HG1 ILE 89 10.758 -3.438 0.460 658 HG21 ILE 89 1HG2 ILE 89 11.076 -4.386 -1.942 659 HG22 ILE 89 2HG2 ILE 89 12.679 -4.960 -2.408 660 HG23 ILE 89 3HG2 ILE 89 12.392 -3.231 -2.174 661 HD11 ILE 89 3HD1 ILE 89 12.084 -4.001 2.414 662 HD12 ILE 89 1HD1 ILE 89 11.737 -2.275 2.335 663 HD13 ILE 89 2HD1 ILE 89 13.336 -2.876 1.887 664 H ASP 90 H ASP 90 14.313 -6.876 -0.127 665 HA ASP 90 HA ASP 90 14.170 -8.012 -2.675 666 HB2 ASP 90 2HB ASP 90 16.217 -7.536 -1.398 667 HB3 ASP 90 1HB ASP 90 15.810 -8.821 -0.293 668 H THR 91 H THR 91 12.987 -9.064 0.298 669 HA THR 91 HA THR 91 12.728 -11.899 -0.346 670 HB THR 91 HB THR 91 12.078 -10.242 2.081 671 HG1 THR 91 1HG THR 91 14.279 -10.277 1.780 672 HG21 THR 91 3HG2 THR 91 12.187 -13.241 1.706 673 HG22 THR 91 1HG2 THR 91 10.770 -12.206 1.919 674 HG23 THR 91 2HG2 THR 91 11.932 -12.391 3.249 675 H LEU 92 H LEU 92 10.707 -9.148 0.505 676 HA LEU 92 HA LEU 92 8.255 -10.058 0.291 677 HB2 LEU 92 2HB LEU 92 9.323 -7.461 -0.680 678 HB3 LEU 92 1HB LEU 92 7.650 -7.855 -0.988 679 HG LEU 92 HG LEU 92 7.798 -6.461 0.979 680 HD11 LEU 92 1HD1 LEU 92 6.126 -8.271 0.988 681 HD12 LEU 92 2HD1 LEU 92 6.719 -7.858 2.609 682 HD13 LEU 92 3HD1 LEU 92 7.352 -9.274 1.773 683 HD21 LEU 92 3HD2 LEU 92 9.561 -8.568 2.110 684 HD22 LEU 92 1HD2 LEU 92 8.955 -7.145 2.940 685 HD23 LEU 92 2HD2 LEU 92 10.069 -6.964 1.587 686 H ARG 93 H ARG 93 10.210 -9.287 -2.582 687 HA ARG 93 HA ARG 93 8.228 -9.642 -4.599 688 HB2 ARG 93 2HB ARG 93 11.089 -10.566 -4.959 689 HB3 ARG 93 1HB ARG 93 9.918 -10.342 -6.223 690 HG2 ARG 93 2HG ARG 93 11.393 -8.546 -6.402 691 HG3 ARG 93 1HG ARG 93 9.985 -7.859 -5.585 692 HD2 ARG 93 2HD ARG 93 11.012 -7.847 -3.557 693 HD3 ARG 93 1HD ARG 93 12.258 -9.002 -4.033 694 HE ARG 93 HE ARG 93 12.119 -6.160 -4.748 695 HH11 ARG 93 1HH1 ARG 93 13.955 -9.198 -4.808 696 HH12 ARG 93 2HH1 ARG 93 15.480 -8.480 -4.687 697 HH21 ARG 93 1HH2 ARG 93 14.282 -5.134 -4.639 698 HH22 ARG 93 2HH2 ARG 93 15.670 -6.134 -4.647 699 H GLU 94 H GLU 94 9.864 -11.999 -2.692 700 HA GLU 94 HA GLU 94 9.493 -14.142 -4.570 701 HB2 GLU 94 2HB GLU 94 10.351 -14.281 -1.692 702 HB3 GLU 94 1HB GLU 94 10.606 -15.503 -2.943 703 HG2 GLU 94 2HG GLU 94 11.961 -13.880 -4.202 704 HG3 GLU 94 1HG GLU 94 11.730 -12.742 -2.878 705 H ALA 95 H ALA 95 7.960 -12.990 -1.709 706 HA ALA 95 HA ALA 95 6.055 -15.218 -1.793 707 HB1 ALA 95 1HB ALA 95 6.271 -13.025 0.268 708 HB2 ALA 95 2HB ALA 95 7.050 -14.602 0.382 709 HB3 ALA 95 3HB ALA 95 5.290 -14.490 0.386 710 H LEU 96 H LEU 96 6.374 -12.414 -3.238 711 HA LEU 96 HA LEU 96 3.790 -11.132 -3.068 712 HB2 LEU 96 2HB LEU 96 5.994 -10.089 -3.668 713 HB3 LEU 96 1HB LEU 96 5.947 -10.997 -5.160 714 HG LEU 96 HG LEU 96 3.791 -9.781 -5.678 715 HD11 LEU 96 1HD1 LEU 96 4.732 -8.063 -3.392 716 HD12 LEU 96 2HD1 LEU 96 3.248 -9.014 -3.448 717 HD13 LEU 96 3HD1 LEU 96 3.465 -7.645 -4.541 718 HD21 LEU 96 3HD2 LEU 96 5.022 -7.750 -6.404 719 HD22 LEU 96 1HD2 LEU 96 5.856 -9.258 -6.791 720 HD23 LEU 96 2HD2 LEU 96 6.393 -8.295 -5.426 721 HA PRO 97 HA PRO 97 1.928 -14.007 -5.948 722 HB2 PRO 97 2HB PRO 97 -0.520 -12.838 -5.985 723 HB3 PRO 97 1HB PRO 97 -0.001 -13.923 -4.691 724 HG2 PRO 97 2HG PRO 97 -0.089 -10.963 -4.779 725 HG3 PRO 97 1HG PRO 97 -0.515 -12.044 -3.435 726 HD2 PRO 97 2HD PRO 97 1.836 -10.686 -3.586 727 HD3 PRO 97 1HD PRO 97 1.683 -12.254 -2.767 728 H ALA 98 H ALA 98 0.880 -13.758 -8.002 729 HA ALA 98 HA ALA 98 2.459 -12.243 -9.728 730 HB1 ALA 98 1HB ALA 98 1.410 -14.389 -10.242 731 HB2 ALA 98 2HB ALA 98 1.069 -13.157 -11.467 732 HB3 ALA 98 3HB ALA 98 -0.154 -13.566 -10.251 733 H HIS 99 H HIS 99 -0.667 -11.624 -8.422 734 HA HIS 99 HA HIS 99 -1.142 -9.498 -10.300 735 HB2 HIS 99 2HB HIS 99 -3.389 -9.331 -8.977 736 HB3 HIS 99 1HB HIS 99 -3.131 -10.674 -10.069 737 HD1 HIS 99 1HD HIS 99 -3.340 -12.996 -9.079 738 HD2 HIS 99 2HD HIS 99 -2.994 -9.964 -6.353 739 HE1 HIS 99 1HE HIS 99 -3.646 -14.106 -6.853 740 H VAL 100 H VAL 100 0.443 -9.587 -7.213 741 HA VAL 100 HA VAL 100 -0.403 -6.892 -6.745 742 HB VAL 100 HB VAL 100 0.876 -8.974 -4.948 743 HG11 VAL 100 1HG1 VAL 100 1.561 -6.756 -4.523 744 HG12 VAL 100 2HG1 VAL 100 0.567 -7.392 -3.188 745 HG13 VAL 100 3HG1 VAL 100 -0.116 -6.221 -4.361 746 HG21 VAL 100 3HG2 VAL 100 -1.272 -8.941 -3.755 747 HG22 VAL 100 1HG2 VAL 100 -1.417 -9.480 -5.423 748 HG23 VAL 100 2HG2 VAL 100 -1.917 -7.847 -4.980 749 H ALA 101 H ALA 101 1.151 -5.375 -6.733 750 HA ALA 101 HA ALA 101 3.879 -6.204 -7.468 751 HB1 ALA 101 1HB ALA 101 2.469 -3.597 -8.042 752 HB2 ALA 101 2HB ALA 101 2.738 -4.895 -9.207 753 HB3 ALA 101 3HB ALA 101 4.111 -4.010 -8.535 754 H ILE 102 H ILE 102 5.470 -4.342 -6.807 755 HA ILE 102 HA ILE 102 4.977 -3.693 -3.989 756 HB ILE 102 HB ILE 102 7.611 -4.174 -5.381 757 HG12 ILE 102 2HG1 ILE 102 6.202 -5.963 -3.335 758 HG13 ILE 102 1HG1 ILE 102 6.567 -6.331 -5.009 759 HG21 ILE 102 1HG2 ILE 102 6.957 -3.348 -2.590 760 HG22 ILE 102 2HG2 ILE 102 7.812 -2.494 -3.853 761 HG23 ILE 102 3HG2 ILE 102 8.582 -3.909 -3.083 762 HD11 ILE 102 3HD1 ILE 102 8.157 -7.471 -3.500 763 HD12 ILE 102 1HD1 ILE 102 8.631 -5.901 -2.863 764 HD13 ILE 102 2HD1 ILE 102 8.957 -6.301 -4.539 765 H TRP 103 H TRP 103 5.066 -1.542 -3.665 766 HA TRP 103 HA TRP 103 6.731 -0.071 -5.637 767 HB2 TRP 103 2HB TRP 103 4.402 1.162 -4.184 768 HB3 TRP 103 1HB TRP 103 5.445 1.976 -5.323 769 HD1 TRP 103 HD TRP 103 5.032 -0.819 -7.330 770 HE1 TRP 103 1HE TRP 103 2.901 -0.742 -8.784 771 HE3 TRP 103 3HE TRP 103 2.506 2.655 -4.766 772 HZ2 TRP 103 2HZ TRP 103 0.427 0.608 -8.787 773 HZ3 TRP 103 3HZ TRP 103 0.233 3.371 -5.547 774 HH2 TRP 103 HH TRP 103 -0.761 2.351 -7.533 775 H LYS 104 H LYS 104 7.790 1.839 -4.823 776 HA LYS 104 HA LYS 104 8.565 1.423 -2.043 777 HB2 LYS 104 2HB LYS 104 10.388 1.438 -3.761 778 HB3 LYS 104 1HB LYS 104 9.938 3.093 -4.159 779 HG2 LYS 104 2HG LYS 104 10.509 3.801 -1.887 780 HG3 LYS 104 1HG LYS 104 10.940 2.146 -1.473 781 HD2 LYS 104 2HD LYS 104 12.963 3.379 -1.930 782 HD3 LYS 104 1HD LYS 104 12.705 2.224 -3.235 783 HE2 LYS 104 2HE LYS 104 11.822 3.998 -4.655 784 HE3 LYS 104 1HE LYS 104 11.986 5.156 -3.337 785 HZ1 LYS 104 3HZ LYS 104 14.207 3.730 -4.704 786 HZ2 LYS 104 1HZ LYS 104 14.390 4.789 -3.393 787 HZ3 LYS 104 2HZ LYS 104 13.808 5.359 -4.857 788 H ALA 105 H ALA 105 7.524 2.630 -0.706 789 HA ALA 105 HA ALA 105 6.303 5.124 -1.393 790 HB1 ALA 105 1HB ALA 105 5.371 3.749 0.417 791 HB2 ALA 105 2HB ALA 105 5.882 5.316 1.045 792 HB3 ALA 105 3HB ALA 105 6.884 3.888 1.313 793 H LEU 106 H LEU 106 7.560 6.758 -1.894 794 HA LEU 106 HA LEU 106 10.265 6.827 -1.046 795 HB2 LEU 106 2HB LEU 106 9.590 7.417 -3.314 796 HB3 LEU 106 1HB LEU 106 8.637 8.742 -2.698 797 HG LEU 106 HG LEU 106 10.725 9.802 -1.845 798 HD11 LEU 106 1HD1 LEU 106 12.116 7.853 -1.611 799 HD12 LEU 106 2HD1 LEU 106 12.864 8.981 -2.754 800 HD13 LEU 106 3HD1 LEU 106 12.024 7.554 -3.345 801 HD21 LEU 106 3HD2 LEU 106 9.766 10.469 -3.984 802 HD22 LEU 106 1HD2 LEU 106 10.678 9.198 -4.798 803 HD23 LEU 106 2HD2 LEU 106 11.528 10.539 -4.032 804 H SER 107 H SER 107 10.262 7.157 1.093 805 HA SER 107 HA SER 107 9.023 9.394 2.327 806 HB2 SER 107 2HB SER 107 11.372 7.724 3.259 807 HB3 SER 107 1HB SER 107 10.266 8.668 4.264 808 HG SER 107 HG SER 107 8.562 7.245 3.461 809 H VAL 108 H VAL 108 9.599 11.329 1.690 810 HA VAL 108 HA VAL 108 12.014 11.926 0.408 811 HB VAL 108 HB VAL 108 11.326 14.322 0.604 812 HG11 VAL 108 1HG1 VAL 108 9.196 12.401 -0.350 813 HG12 VAL 108 2HG1 VAL 108 10.581 12.973 -1.285 814 HG13 VAL 108 3HG1 VAL 108 9.313 14.101 -0.804 815 HG21 VAL 108 3HG2 VAL 108 8.940 13.176 2.068 816 HG22 VAL 108 1HG2 VAL 108 9.099 14.841 1.510 817 HG23 VAL 108 2HG2 VAL 108 10.179 14.223 2.760 818 H GLY 109 H GLY 109 13.845 12.993 1.070 819 HA2 GLY 109 2HA GLY 109 14.124 13.840 3.782 820 HA3 GLY 109 1HA GLY 109 14.957 12.332 3.418 821 H GLU 110 H GLU 110 16.857 13.530 3.944 822 HA GLU 110 HA GLU 110 17.659 15.726 2.292 823 HB2 GLU 110 2HB GLU 110 19.834 15.553 3.476 824 HB3 GLU 110 1HB GLU 110 18.452 15.688 4.554 825 HG2 GLU 110 2HG GLU 110 18.548 13.331 5.039 826 HG3 GLU 110 1HG GLU 110 19.847 13.117 3.867 827 H THR 111 H THR 111 18.025 12.290 2.168 828 HA THR 111 HA THR 111 19.493 12.675 -0.285 829 HB THR 111 HB THR 111 21.209 12.041 1.310 830 HG1 THR 111 1HG THR 111 21.409 11.121 -0.715 831 HG21 THR 111 3HG2 THR 111 21.160 9.894 2.538 832 HG22 THR 111 1HG2 THR 111 19.521 9.608 1.952 833 HG23 THR 111 2HG2 THR 111 19.843 10.960 3.036 834 H LEU 112 H LEU 112 18.475 11.816 -1.909 835 HA LEU 112 HA LEU 112 16.607 9.641 -1.379 836 HB2 LEU 112 2HB LEU 112 16.660 11.592 -3.699 837 HB3 LEU 112 1HB LEU 112 15.575 10.229 -3.589 838 HG LEU 112 HG LEU 112 14.279 12.063 -3.008 839 HD11 LEU 112 1HD1 LEU 112 15.155 10.810 -0.435 840 HD12 LEU 112 2HD1 LEU 112 13.905 10.234 -1.528 841 HD13 LEU 112 3HD1 LEU 112 13.691 11.765 -0.667 842 HD21 LEU 112 3HD2 LEU 112 16.470 13.002 -1.153 843 HD22 LEU 112 1HD2 LEU 112 14.891 13.767 -1.338 844 HD23 LEU 112 2HD2 LEU 112 16.018 13.734 -2.694 845 HA PRO 113 HA PRO 113 19.990 7.573 -3.425 846 HB2 PRO 113 2HB PRO 113 19.639 5.194 -2.262 847 HB3 PRO 113 1HB PRO 113 20.336 6.557 -1.379 848 HG2 PRO 113 2HG PRO 113 17.562 5.458 -1.268 849 HG3 PRO 113 1HG PRO 113 18.572 6.089 0.040 850 HD2 PRO 113 2HD PRO 113 16.564 7.512 -1.238 851 HD3 PRO 113 1HD PRO 113 17.900 8.234 -0.336 852 H ALA 114 H ALA 114 20.160 6.024 -5.010 853 HA ALA 114 HA ALA 114 17.690 5.428 -6.395 854 HB1 ALA 114 1HB ALA 114 20.546 4.881 -7.177 855 HB2 ALA 114 2HB ALA 114 19.589 6.284 -7.664 856 HB3 ALA 114 3HB ALA 114 19.131 4.670 -8.207 857 H ARG 115 H ARG 115 20.334 3.732 -4.785 858 HA ARG 115 HA ARG 115 18.677 1.325 -4.969 859 HB2 ARG 115 2HB ARG 115 21.681 1.324 -4.852 860 HB3 ARG 115 1HB ARG 115 20.598 -0.057 -4.973 861 HG2 ARG 115 2HG ARG 115 19.915 0.717 -7.217 862 HG3 ARG 115 1HG ARG 115 21.084 2.036 -7.091 863 HD2 ARG 115 2HD ARG 115 21.640 -0.924 -7.125 864 HD3 ARG 115 1HD ARG 115 22.131 0.277 -8.320 865 HE ARG 115 HE ARG 115 23.266 1.160 -6.024 866 HH11 ARG 115 1HH1 ARG 115 23.464 -1.896 -7.791 867 HH12 ARG 115 2HH1 ARG 115 24.975 -2.312 -7.123 868 HH21 ARG 115 1HH2 ARG 115 25.272 0.561 -5.100 869 HH22 ARG 115 2HH2 ARG 115 26.013 -0.903 -5.545 870 H GLU 116 H GLU 116 17.984 0.804 -3.202 871 HA GLU 116 HA GLU 116 19.475 0.330 -0.798 872 HB2 GLU 116 2HB GLU 116 17.206 2.365 -0.868 873 HB3 GLU 116 1HB GLU 116 17.704 1.538 0.589 874 HG2 GLU 116 2HG GLU 116 19.530 3.285 -1.010 875 HG3 GLU 116 1HG GLU 116 18.500 3.887 0.284 876 H PHE 117 H PHE 117 16.280 1.027 -2.045 877 HA PHE 117 HA PHE 117 15.436 -1.729 -1.518 878 HB2 PHE 117 2HB PHE 117 13.613 0.698 -1.463 879 HB3 PHE 117 1HB PHE 117 13.318 -0.898 -0.775 880 HD1 PHE 117 2HD PHE 117 14.984 -1.608 1.087 881 HD2 PHE 117 1HD PHE 117 14.274 2.416 -0.045 882 HE1 PHE 117 2HE PHE 117 15.929 -0.837 3.251 883 HE2 PHE 117 1HE PHE 117 15.218 3.203 2.092 884 HZ PHE 117 HZ PHE 117 16.049 1.571 3.740 885 H GLN 118 H GLN 118 15.764 -2.380 -3.582 886 HA GLN 118 HA GLN 118 14.615 -0.729 -5.715 887 HB2 GLN 118 2HB GLN 118 16.312 -1.708 -7.245 888 HB3 GLN 118 1HB GLN 118 16.990 -0.712 -5.970 889 HG2 GLN 118 2HG GLN 118 17.661 -2.701 -4.737 890 HG3 GLN 118 1HG GLN 118 16.901 -3.720 -5.960 891 HE21 GLN 118 1HE2 GLN 118 17.776 -2.217 -8.226 892 HE22 GLN 118 2HE2 GLN 118 19.464 -2.447 -8.394 893 H HIS 119 H HIS 119 14.530 -2.227 -7.813 894 HA HIS 119 HA HIS 119 13.354 -3.684 -8.958 895 HB2 HIS 119 2HB HIS 119 14.881 -5.320 -7.639 896 HB3 HIS 119 1HB HIS 119 13.476 -5.625 -6.629 897 HD1 HIS 119 1HD HIS 119 15.032 -6.572 -9.851 898 HD2 HIS 119 2HD HIS 119 11.328 -6.949 -8.009 899 HE1 HIS 119 1HE HIS 119 13.775 -8.313 -11.157 900 H VAL 120 H VAL 120 12.237 -1.792 -7.208 901 HA VAL 120 HA VAL 120 9.653 -2.901 -6.494 902 HB VAL 120 HB VAL 120 9.094 -0.593 -5.768 903 HG11 VAL 120 1HG1 VAL 120 10.656 -0.480 -3.860 904 HG12 VAL 120 2HG1 VAL 120 11.737 -1.584 -4.702 905 HG13 VAL 120 3HG1 VAL 120 10.145 -2.135 -4.191 906 HG21 VAL 120 3HG2 VAL 120 10.469 0.635 -7.408 907 HG22 VAL 120 1HG2 VAL 120 11.930 0.089 -6.596 908 HG23 VAL 120 2HG2 VAL 120 10.815 1.176 -5.768 909 H ASP 121 H ASP 121 7.770 -2.146 -7.490 910 HA ASP 121 HA ASP 121 8.238 -2.120 -10.331 911 HB2 ASP 121 2HB ASP 121 6.430 -3.496 -9.397 912 HB3 ASP 121 1HB ASP 121 5.602 -2.042 -8.857 913 H LYS 122 H LYS 122 6.972 0.094 -7.974 914 HA LYS 122 HA LYS 122 7.357 2.310 -9.824 915 HB2 LYS 122 2HB LYS 122 4.793 1.882 -8.241 916 HB3 LYS 122 1HB LYS 122 5.157 3.313 -9.165 917 HG2 LYS 122 2HG LYS 122 4.860 0.573 -10.357 918 HG3 LYS 122 1HG LYS 122 3.543 1.730 -10.199 919 HD2 LYS 122 2HD LYS 122 4.728 3.290 -11.636 920 HD3 LYS 122 1HD LYS 122 6.100 2.180 -11.727 921 HE2 LYS 122 2HE LYS 122 3.319 1.460 -12.593 922 HE3 LYS 122 1HE LYS 122 4.533 2.098 -13.704 923 HZ1 LYS 122 3HZ LYS 122 4.759 -0.434 -12.128 924 HZ2 LYS 122 1HZ LYS 122 5.932 0.199 -13.161 925 HZ3 LYS 122 2HZ LYS 122 4.437 -0.331 -13.752 926 H TYR 123 H TYR 123 7.467 4.337 -8.556 927 HA TYR 123 HA TYR 123 7.579 3.896 -5.677 928 HB2 TYR 123 2HB TYR 123 9.503 5.286 -5.396 929 HB3 TYR 123 1HB TYR 123 9.919 4.134 -6.652 930 HD1 TYR 123 2HD TYR 123 9.962 4.890 -9.017 931 HD2 TYR 123 1HD TYR 123 9.434 7.547 -5.770 932 HE1 TYR 123 2HE TYR 123 10.535 6.749 -10.466 933 HE2 TYR 123 1HE TYR 123 9.989 9.405 -7.142 934 HH TYR 123 HH TYR 123 10.100 9.232 -10.522 935 H VAL 124 H VAL 124 6.742 5.479 -4.465 936 HA VAL 124 HA VAL 124 5.269 7.562 -5.891 937 HB VAL 124 HB VAL 124 3.183 6.991 -4.619 938 HG11 VAL 124 1HG1 VAL 124 4.165 4.846 -6.496 939 HG12 VAL 124 2HG1 VAL 124 3.368 6.352 -6.955 940 HG13 VAL 124 3HG1 VAL 124 2.481 5.125 -6.052 941 HG21 VAL 124 3HG2 VAL 124 4.649 4.421 -3.995 942 HG22 VAL 124 1HG2 VAL 124 2.940 4.723 -3.680 943 HG23 VAL 124 2HG2 VAL 124 4.172 5.652 -2.829 944 H LEU 125 H LEU 125 4.075 8.957 -4.196 945 HA LEU 125 HA LEU 125 6.060 9.878 -2.389 946 HB2 LEU 125 2HB LEU 125 4.522 11.398 -3.552 947 HB3 LEU 125 1HB LEU 125 3.168 10.679 -2.708 948 HG LEU 125 HG LEU 125 4.056 11.551 -0.569 949 HD11 LEU 125 1HD1 LEU 125 5.849 13.221 -0.597 950 HD12 LEU 125 2HD1 LEU 125 6.116 12.899 -2.310 951 HD13 LEU 125 3HD1 LEU 125 6.423 11.638 -1.117 952 HD21 LEU 125 3HD2 LEU 125 3.515 13.898 -0.984 953 HD22 LEU 125 1HD2 LEU 125 2.400 12.829 -1.836 954 HD23 LEU 125 2HD2 LEU 125 3.695 13.639 -2.717 955 H ASP 126 H ASP 126 6.189 9.715 -0.242 956 HA ASP 126 HA ASP 126 5.242 7.528 1.180 957 HB2 ASP 126 2HB ASP 126 7.219 8.848 1.758 958 HB3 ASP 126 1HB ASP 126 6.197 10.202 2.220 959 H ASN 127 H ASN 127 3.324 7.109 2.073 960 HA ASN 127 HA ASN 127 1.529 9.388 2.530 961 HB2 ASN 127 2HB ASN 127 0.717 6.505 1.978 962 HB3 ASN 127 1HB ASN 127 -0.345 7.852 2.408 963 HD21 ASN 127 1HD2 ASN 127 0.934 9.769 0.912 964 HD22 ASN 127 2HD2 ASN 127 0.609 9.500 -0.772 965 H GLY 128 H GLY 128 3.526 7.490 4.136 966 HA2 GLY 128 2HA GLY 128 2.036 6.671 6.401 967 HA3 GLY 128 1HA GLY 128 3.778 6.956 6.356 968 H GLN 129 H GLN 129 3.988 9.492 5.691 969 HA GLN 129 HA GLN 129 2.242 11.042 7.432 970 HB2 GLN 129 2HB GLN 129 4.400 10.687 8.651 971 HB3 GLN 129 1HB GLN 129 5.275 11.371 7.300 972 HG2 GLN 129 2HG GLN 129 5.133 13.029 9.021 973 HG3 GLN 129 1HG GLN 129 4.086 13.528 7.698 974 HE21 GLN 129 1HE2 GLN 129 4.032 14.293 10.529 975 HE22 GLN 129 2HE2 GLN 129 2.479 13.852 11.108 976 H GLY 130 H GLY 130 5.088 11.987 5.599 977 HA2 GLY 130 2HA GLY 130 5.408 13.408 3.849 978 HA3 GLY 130 1HA GLY 130 4.152 12.445 3.093 979 H GLY 131 H GLY 131 2.365 13.366 2.595 980 HA2 GLY 131 2HA GLY 131 1.132 15.521 3.927 981 HA3 GLY 131 1HA GLY 131 1.949 16.077 2.461 982 H ALA 132 H ALA 132 1.198 15.570 0.505 983 HA ALA 132 HA ALA 132 -0.158 14.902 -1.146 984 HB1 ALA 132 1HB ALA 132 -0.949 12.600 -1.148 985 HB2 ALA 132 2HB ALA 132 -0.679 12.490 0.591 986 HB3 ALA 132 3HB ALA 132 0.693 12.679 -0.499 987 H GLY 133 H GLY 133 -2.519 13.755 -1.440 988 HA2 GLY 133 2HA GLY 133 -4.787 13.758 -0.963 989 HA3 GLY 133 1HA GLY 133 -4.448 14.632 0.525 990 H SER 134 H SER 134 -3.797 16.900 0.256 991 HA SER 134 HA SER 134 -5.640 18.181 -1.542 992 HB2 SER 134 2HB SER 134 -4.912 20.174 -0.085 993 HB3 SER 134 1HB SER 134 -5.832 18.883 0.695 994 HG SER 134 HG SER 134 -3.064 19.345 0.736 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -5.761 16.171 -11.415 2 H2 MET 1 2HT MET 1 -6.771 14.937 -10.965 3 H3 MET 1 3HT MET 1 -6.804 15.531 -12.558 4 HA MET 1 HA MET 1 -4.561 14.815 -12.916 5 HB2 MET 1 2HB MET 1 -3.404 13.376 -11.309 6 HB3 MET 1 1HB MET 1 -3.727 14.952 -10.623 7 HG2 MET 1 2HG MET 1 -5.248 12.416 -10.042 8 HG3 MET 1 1HG MET 1 -4.051 13.171 -8.995 9 HE1 MET 1 2HE MET 1 -7.271 13.840 -6.940 10 HE2 MET 1 3HE MET 1 -5.630 13.197 -6.945 11 HE3 MET 1 1HE MET 1 -6.892 12.386 -7.864 12 H GLY 2 H GLY 2 -7.626 13.545 -12.219 13 HA2 GLY 2 2HA GLY 2 -8.702 11.898 -13.339 14 HA3 GLY 2 1HA GLY 2 -7.210 11.538 -14.201 15 H GLU 3 H GLU 3 -7.874 11.549 -10.751 16 HA GLU 3 HA GLU 3 -7.372 8.684 -10.723 17 HB2 GLU 3 2HB GLU 3 -6.241 10.750 -8.837 18 HB3 GLU 3 1HB GLU 3 -6.278 9.039 -8.448 19 HG2 GLU 3 2HG GLU 3 -4.946 8.581 -10.456 20 HG3 GLU 3 1HG GLU 3 -4.862 10.315 -10.760 21 H ASN 4 H ASN 4 -7.759 8.490 -7.855 22 HA ASN 4 HA ASN 4 -10.369 9.267 -7.206 23 HB2 ASN 4 2HB ASN 4 -11.471 7.022 -7.456 24 HB3 ASN 4 1HB ASN 4 -11.032 7.702 -9.011 25 HD21 ASN 4 1HD2 ASN 4 -8.248 6.962 -8.746 26 HD22 ASN 4 2HD2 ASN 4 -8.082 5.252 -8.856 27 H LYS 5 H LYS 5 -8.125 9.548 -5.946 28 HA LYS 5 HA LYS 5 -7.151 7.395 -4.368 29 HB2 LYS 5 2HB LYS 5 -6.856 10.380 -4.037 30 HB3 LYS 5 1HB LYS 5 -6.007 9.187 -3.069 31 HG2 LYS 5 2HG LYS 5 -4.867 8.376 -5.065 32 HG3 LYS 5 1HG LYS 5 -5.748 9.549 -6.046 33 HD2 LYS 5 2HD LYS 5 -4.718 11.386 -4.840 34 HD3 LYS 5 1HD LYS 5 -3.901 10.255 -3.760 35 HE2 LYS 5 2HE LYS 5 -2.659 9.345 -5.632 36 HE3 LYS 5 1HE LYS 5 -3.504 10.422 -6.739 37 HZ1 LYS 5 3HZ LYS 5 -1.299 11.231 -6.160 38 HZ2 LYS 5 1HZ LYS 5 -1.721 11.307 -4.533 39 HZ3 LYS 5 2HZ LYS 5 -2.485 12.295 -5.658 40 H VAL 6 H VAL 6 -8.741 6.461 -3.224 41 HA VAL 6 HA VAL 6 -10.222 8.119 -1.382 42 HB VAL 6 HB VAL 6 -11.454 6.538 -2.805 43 HG11 VAL 6 1HG1 VAL 6 -11.416 4.124 -2.407 44 HG12 VAL 6 2HG1 VAL 6 -10.013 4.349 -1.360 45 HG13 VAL 6 3HG1 VAL 6 -9.913 4.761 -3.073 46 HG21 VAL 6 3HG2 VAL 6 -12.488 7.179 -0.728 47 HG22 VAL 6 1HG2 VAL 6 -11.626 5.904 0.136 48 HG23 VAL 6 2HG2 VAL 6 -12.856 5.487 -1.056 49 H CYS 7 H CYS 7 -9.658 8.305 0.623 50 HA CYS 7 HA CYS 7 -7.754 6.482 1.931 51 HB2 CYS 7 2HB CYS 7 -7.823 8.232 3.721 52 HB3 CYS 7 1HB CYS 7 -7.323 8.897 2.175 53 HG CYS 7 HG CYS 7 -8.875 10.883 2.516 54 H GLY 8 H GLY 8 -8.491 6.042 4.375 55 HA2 GLY 8 2HA GLY 8 -10.433 4.133 4.185 56 HA3 GLY 8 1HA GLY 8 -9.911 4.891 5.679 57 H LEU 9 H LEU 9 -12.525 4.032 4.226 58 HA LEU 9 HA LEU 9 -14.058 6.365 4.986 59 HB2 LEU 9 2HB LEU 9 -13.285 6.293 2.519 60 HB3 LEU 9 1HB LEU 9 -14.412 4.965 2.366 61 HG LEU 9 HG LEU 9 -16.251 6.510 3.009 62 HD11 LEU 9 1HD1 LEU 9 -15.799 8.906 3.004 63 HD12 LEU 9 2HD1 LEU 9 -14.076 8.600 2.806 64 HD13 LEU 9 3HD1 LEU 9 -14.884 8.130 4.295 65 HD21 LEU 9 3HD2 LEU 9 -15.708 6.044 0.711 66 HD22 LEU 9 1HD2 LEU 9 -14.514 7.339 0.709 67 HD23 LEU 9 2HD2 LEU 9 -16.222 7.722 0.903 68 H THR 10 H THR 10 -16.380 5.680 5.085 69 HA THR 10 HA THR 10 -16.647 2.777 5.322 70 HB THR 10 HB THR 10 -16.111 3.555 7.601 71 HG1 THR 10 1HG THR 10 -17.590 1.828 7.430 72 HG21 THR 10 3HG2 THR 10 -18.571 5.290 7.354 73 HG22 THR 10 1HG2 THR 10 -16.904 5.845 7.486 74 HG23 THR 10 2HG2 THR 10 -17.671 5.026 8.848 75 H ARG 11 H ARG 11 -17.949 5.816 4.554 76 HA ARG 11 HA ARG 11 -20.640 4.960 4.297 77 HB2 ARG 11 2HB ARG 11 -19.095 7.376 3.435 78 HB3 ARG 11 1HB ARG 11 -20.769 7.162 2.962 79 HG2 ARG 11 2HG ARG 11 -21.455 7.139 5.279 80 HG3 ARG 11 1HG ARG 11 -19.769 7.197 5.794 81 HD2 ARG 11 2HD ARG 11 -20.887 9.395 5.918 82 HD3 ARG 11 1HD ARG 11 -19.500 9.372 4.829 83 HE ARG 11 HE ARG 11 -22.207 9.031 3.797 84 HH11 ARG 11 1HH1 ARG 11 -19.213 10.937 3.972 85 HH12 ARG 11 2HH1 ARG 11 -19.575 11.915 2.642 86 HH21 ARG 11 1HH2 ARG 11 -22.705 10.394 1.928 87 HH22 ARG 11 2HH2 ARG 11 -21.602 11.603 1.452 88 H GLY 12 H GLY 12 -21.020 3.420 2.959 89 HA2 GLY 12 2HA GLY 12 -19.766 2.337 0.807 90 HA3 GLY 12 1HA GLY 12 -21.514 2.427 1.074 91 H GLN 13 H GLN 13 -22.127 4.916 0.743 92 HA GLN 13 HA GLN 13 -22.236 5.010 -2.110 93 HB2 GLN 13 2HB GLN 13 -23.543 6.659 0.044 94 HB3 GLN 13 1HB GLN 13 -23.661 7.099 -1.638 95 HG2 GLN 13 2HG GLN 13 -25.637 5.887 -0.886 96 HG3 GLN 13 1HG GLN 13 -24.798 5.035 -2.163 97 HE21 GLN 13 1HE2 GLN 13 -23.766 4.894 1.257 98 HE22 GLN 13 2HE2 GLN 13 -24.228 3.257 1.470 99 H ASP 14 H ASP 14 -20.406 6.499 0.325 100 HA ASP 14 HA ASP 14 -19.571 8.738 -1.319 101 HB2 ASP 14 2HB ASP 14 -19.851 8.751 1.232 102 HB3 ASP 14 1HB ASP 14 -18.371 7.833 1.329 103 H ALA 15 H ALA 15 -18.567 5.615 -0.330 104 HA ALA 15 HA ALA 15 -15.893 5.659 -1.303 105 HB1 ALA 15 1HB ALA 15 -16.658 4.092 0.438 106 HB2 ALA 15 2HB ALA 15 -15.975 3.226 -0.941 107 HB3 ALA 15 3HB ALA 15 -17.725 3.324 -0.727 108 H LYS 16 H LYS 16 -18.936 4.384 -2.554 109 HA LYS 16 HA LYS 16 -17.756 3.465 -4.914 110 HB2 LYS 16 2HB LYS 16 -20.063 3.152 -5.822 111 HB3 LYS 16 1HB LYS 16 -19.768 2.390 -4.273 112 HG2 LYS 16 2HG LYS 16 -20.907 4.256 -3.207 113 HG3 LYS 16 1HG LYS 16 -21.302 4.915 -4.802 114 HD2 LYS 16 2HD LYS 16 -23.212 3.642 -3.992 115 HD3 LYS 16 1HD LYS 16 -22.470 2.781 -5.340 116 HE2 LYS 16 2HE LYS 16 -21.328 1.282 -3.750 117 HE3 LYS 16 1HE LYS 16 -22.054 2.155 -2.404 118 HZ1 LYS 16 3HZ LYS 16 -23.454 0.539 -4.463 119 HZ2 LYS 16 1HZ LYS 16 -24.249 1.456 -3.290 120 HZ3 LYS 16 2HZ LYS 16 -23.282 0.159 -2.835 121 H ALA 17 H ALA 17 -18.752 6.579 -4.066 122 HA ALA 17 HA ALA 17 -19.032 7.722 -6.600 123 HB1 ALA 17 1HB ALA 17 -18.405 9.834 -5.528 124 HB2 ALA 17 2HB ALA 17 -17.791 8.954 -4.133 125 HB3 ALA 17 3HB ALA 17 -19.517 8.920 -4.505 126 H ALA 18 H ALA 18 -16.109 6.880 -4.759 127 HA ALA 18 HA ALA 18 -14.279 8.102 -6.581 128 HB1 ALA 18 1HB ALA 18 -13.712 7.706 -4.240 129 HB2 ALA 18 2HB ALA 18 -12.568 6.862 -5.297 130 HB3 ALA 18 3HB ALA 18 -13.869 5.972 -4.494 131 H TYR 19 H TYR 19 -15.567 4.879 -6.133 132 HA TYR 19 HA TYR 19 -14.091 3.644 -8.259 133 HB2 TYR 19 2HB TYR 19 -14.935 1.872 -7.201 134 HB3 TYR 19 1HB TYR 19 -16.012 2.900 -6.296 135 HD1 TYR 19 2HD TYR 19 -15.643 1.062 -9.431 136 HD2 TYR 19 1HD TYR 19 -18.331 2.813 -6.741 137 HE1 TYR 19 2HE TYR 19 -17.545 0.009 -10.673 138 HE2 TYR 19 1HE TYR 19 -20.241 1.817 -7.911 139 HH TYR 19 HH TYR 19 -20.766 0.980 -10.110 140 H ASP 20 H ASP 20 -17.093 5.338 -8.075 141 HA ASP 20 HA ASP 20 -17.950 4.947 -10.727 142 HB2 ASP 20 2HB ASP 20 -19.415 5.877 -9.016 143 HB3 ASP 20 1HB ASP 20 -18.386 7.294 -8.875 144 H ALA 21 H ALA 21 -15.631 7.109 -9.310 145 HA ALA 21 HA ALA 21 -15.317 8.843 -11.503 146 HB1 ALA 21 1HB ALA 21 -13.363 8.232 -9.295 147 HB2 ALA 21 2HB ALA 21 -14.640 9.449 -9.237 148 HB3 ALA 21 3HB ALA 21 -13.306 9.622 -10.380 149 H GLY 22 H GLY 22 -13.988 5.639 -10.864 150 HA2 GLY 22 2HA GLY 22 -13.348 5.314 -13.530 151 HA3 GLY 22 1HA GLY 22 -11.882 5.818 -12.713 152 H ALA 23 H ALA 23 -12.978 4.354 -10.190 153 HA ALA 23 HA ALA 23 -12.649 2.366 -9.163 154 HB1 ALA 23 1HB ALA 23 -13.194 1.070 -11.846 155 HB2 ALA 23 2HB ALA 23 -14.457 1.685 -10.804 156 HB3 ALA 23 3HB ALA 23 -13.436 0.348 -10.244 157 H ILE 24 H ILE 24 -10.596 3.782 -10.353 158 HA ILE 24 HA ILE 24 -8.838 2.175 -11.894 159 HB ILE 24 HB ILE 24 -8.172 4.694 -10.375 160 HG12 ILE 24 2HG1 ILE 24 -9.305 4.486 -13.176 161 HG13 ILE 24 1HG1 ILE 24 -10.236 5.005 -11.773 162 HG21 ILE 24 1HG2 ILE 24 -6.488 5.015 -12.099 163 HG22 ILE 24 2HG2 ILE 24 -7.027 3.547 -12.912 164 HG23 ILE 24 3HG2 ILE 24 -6.269 3.440 -11.326 165 HD11 ILE 24 3HD1 ILE 24 -9.497 6.901 -13.100 166 HD12 ILE 24 1HD1 ILE 24 -7.817 6.387 -12.911 167 HD13 ILE 24 2HD1 ILE 24 -8.741 6.907 -11.504 168 H TYR 25 H TYR 25 -8.652 3.507 -8.663 169 HA TYR 25 HA TYR 25 -7.757 1.312 -7.259 170 HB2 TYR 25 2HB TYR 25 -5.437 1.278 -7.320 171 HB3 TYR 25 1HB TYR 25 -5.754 1.862 -8.954 172 HD1 TYR 25 1HD TYR 25 -5.400 4.184 -9.520 173 HD2 TYR 25 2HD TYR 25 -4.592 2.601 -5.720 174 HE1 TYR 25 1HE TYR 25 -4.165 6.199 -8.994 175 HE2 TYR 25 2HE TYR 25 -3.405 4.489 -5.086 176 HH TYR 25 HH TYR 25 -3.300 7.419 -7.220 177 H GLY 26 H GLY 26 -7.017 1.920 -5.115 178 HA2 GLY 26 2HA GLY 26 -7.833 4.664 -4.517 179 HA3 GLY 26 1HA GLY 26 -8.435 3.293 -3.564 180 H GLY 27 H GLY 27 -6.786 5.575 -2.725 181 HA2 GLY 27 2HA GLY 27 -4.255 4.195 -2.140 182 HA3 GLY 27 1HA GLY 27 -4.436 5.943 -2.233 183 H LEU 28 H LEU 28 -5.465 3.109 -0.404 184 HA LEU 28 HA LEU 28 -5.736 4.892 1.816 185 HB2 LEU 28 2HB LEU 28 -7.378 3.285 2.841 186 HB3 LEU 28 1HB LEU 28 -7.954 4.164 1.458 187 HG LEU 28 HG LEU 28 -8.831 1.897 1.525 188 HD11 LEU 28 1HD1 LEU 28 -6.960 2.183 -0.797 189 HD12 LEU 28 2HD1 LEU 28 -8.543 2.925 -0.635 190 HD13 LEU 28 3HD1 LEU 28 -8.407 1.175 -0.722 191 HD21 LEU 28 3HD2 LEU 28 -5.996 0.913 1.229 192 HD22 LEU 28 1HD2 LEU 28 -7.446 -0.089 1.214 193 HD23 LEU 28 2HD2 LEU 28 -6.978 0.779 2.685 194 H ILE 29 H ILE 29 -5.262 4.052 3.785 195 HA ILE 29 HA ILE 29 -3.250 1.945 3.553 196 HB ILE 29 HB ILE 29 -2.084 2.962 5.562 197 HG12 ILE 29 2HG1 ILE 29 -3.439 5.423 4.421 198 HG13 ILE 29 1HG1 ILE 29 -3.768 4.738 6.009 199 HG21 ILE 29 1HG2 ILE 29 -0.675 4.124 3.991 200 HG22 ILE 29 2HG2 ILE 29 -2.001 4.029 2.790 201 HG23 ILE 29 3HG2 ILE 29 -1.303 2.546 3.462 202 HD11 ILE 29 3HD1 ILE 29 -1.462 5.219 6.681 203 HD12 ILE 29 1HD1 ILE 29 -2.311 6.677 6.165 204 HD13 ILE 29 2HD1 ILE 29 -1.146 5.907 5.089 205 H PHE 30 H PHE 30 -2.594 0.765 5.231 206 HA PHE 30 HA PHE 30 -4.975 -0.347 6.484 207 HB2 PHE 30 2HB PHE 30 -2.163 -1.368 6.922 208 HB3 PHE 30 1HB PHE 30 -3.658 -2.212 7.247 209 HD1 PHE 30 2HD PHE 30 -4.936 -3.217 5.365 210 HD2 PHE 30 1HD PHE 30 -1.204 -1.266 4.834 211 HE1 PHE 30 2HE PHE 30 -4.659 -4.302 3.114 212 HE2 PHE 30 1HE PHE 30 -0.915 -2.320 2.679 213 HZ PHE 30 HZ PHE 30 -2.625 -3.842 1.800 214 H VAL 31 H VAL 31 -5.304 1.566 7.922 215 HA VAL 31 HA VAL 31 -3.821 0.949 10.348 216 HB VAL 31 HB VAL 31 -5.101 3.643 9.753 217 HG11 VAL 31 1HG1 VAL 31 -3.444 2.682 12.070 218 HG12 VAL 31 2HG1 VAL 31 -5.177 2.960 12.078 219 HG13 VAL 31 3HG1 VAL 31 -4.065 4.330 11.865 220 HG21 VAL 31 3HG2 VAL 31 -3.051 3.283 8.441 221 HG22 VAL 31 1HG2 VAL 31 -2.184 2.875 9.922 222 HG23 VAL 31 2HG2 VAL 31 -2.806 4.510 9.690 223 H ALA 32 H ALA 32 -4.885 -0.010 11.750 224 HA ALA 32 HA ALA 32 -7.448 -0.934 11.272 225 HB1 ALA 32 1HB ALA 32 -7.299 -2.009 13.420 226 HB2 ALA 32 2HB ALA 32 -5.934 -0.985 13.864 227 HB3 ALA 32 3HB ALA 32 -5.771 -2.156 12.552 228 H THR 33 H THR 33 -9.143 0.137 11.313 229 HA THR 33 HA THR 33 -10.985 1.127 11.966 230 HB THR 33 HB THR 33 -11.506 1.430 14.433 231 HG1 THR 33 1HG THR 33 -8.859 1.157 14.637 232 HG21 THR 33 3HG2 THR 33 -12.056 -0.602 13.202 233 HG22 THR 33 1HG2 THR 33 -11.563 -0.984 14.858 234 HG23 THR 33 2HG2 THR 33 -10.431 -1.215 13.519 235 H SER 34 H SER 34 -8.447 2.827 11.506 236 HA SER 34 HA SER 34 -9.412 5.318 12.680 237 HB2 SER 34 2HB SER 34 -6.987 4.726 10.960 238 HB3 SER 34 1HB SER 34 -7.344 6.268 11.742 239 HG SER 34 HG SER 34 -7.447 4.725 13.711 240 HA PRO 35 HA PRO 35 -11.987 5.596 9.048 241 HB2 PRO 35 2HB PRO 35 -13.097 7.965 9.605 242 HB3 PRO 35 1HB PRO 35 -13.574 6.464 10.427 243 HG2 PRO 35 2HG PRO 35 -11.711 8.631 11.323 244 HG3 PRO 35 1HG PRO 35 -12.984 7.807 12.246 245 HD2 PRO 35 2HD PRO 35 -10.398 7.147 12.499 246 HD3 PRO 35 1HD PRO 35 -11.685 5.923 12.586 247 H ARG 36 H ARG 36 -9.258 6.787 9.105 248 HA ARG 36 HA ARG 36 -9.654 8.473 6.717 249 HB2 ARG 36 2HB ARG 36 -7.572 9.668 7.196 250 HB3 ARG 36 1HB ARG 36 -8.670 9.830 8.555 251 HG2 ARG 36 2HG ARG 36 -7.429 8.191 9.811 252 HG3 ARG 36 1HG ARG 36 -6.394 7.867 8.423 253 HD2 ARG 36 2HD ARG 36 -5.650 10.224 8.487 254 HD3 ARG 36 1HD ARG 36 -6.606 10.446 9.951 255 HE ARG 36 HE ARG 36 -5.147 8.499 10.788 256 HH11 ARG 36 1HH1 ARG 36 -4.081 11.171 8.757 257 HH12 ARG 36 2HH1 ARG 36 -2.475 11.171 9.314 258 HH21 ARG 36 1HH2 ARG 36 -2.937 8.427 11.535 259 HH22 ARG 36 2HH2 ARG 36 -1.797 9.540 10.935 260 H CYS 37 H CYS 37 -8.733 5.543 7.936 261 HA CYS 37 HA CYS 37 -7.008 4.904 5.709 262 HB2 CYS 37 2HB CYS 37 -6.675 4.130 8.603 263 HB3 CYS 37 1HB CYS 37 -5.644 3.611 7.276 264 HG CYS 37 HG CYS 37 -4.856 6.373 6.779 265 H VAL 38 H VAL 38 -7.072 2.378 5.584 266 HA VAL 38 HA VAL 38 -9.401 1.229 6.828 267 HB VAL 38 HB VAL 38 -9.349 2.099 4.007 268 HG11 VAL 38 1HG1 VAL 38 -10.039 -0.787 4.542 269 HG12 VAL 38 2HG1 VAL 38 -8.760 -0.186 3.494 270 HG13 VAL 38 3HG1 VAL 38 -10.448 0.099 3.074 271 HG21 VAL 38 3HG2 VAL 38 -11.126 2.637 5.595 272 HG22 VAL 38 1HG2 VAL 38 -11.507 0.922 5.724 273 HG23 VAL 38 2HG2 VAL 38 -11.756 1.763 4.191 274 H ASN 39 H ASN 39 -9.142 -0.736 7.193 275 HA ASN 39 HA ASN 39 -6.607 -2.037 6.490 276 HB2 ASN 39 2HB ASN 39 -7.266 -3.493 8.492 277 HB3 ASN 39 1HB ASN 39 -6.742 -1.854 8.858 278 HD21 ASN 39 1HD2 ASN 39 -9.216 -4.074 8.804 279 HD22 ASN 39 2HD2 ASN 39 -10.486 -3.156 9.579 280 H VAL 40 H VAL 40 -6.864 -4.486 6.525 281 HA VAL 40 HA VAL 40 -8.118 -5.021 4.097 282 HB VAL 40 HB VAL 40 -6.185 -6.227 5.217 283 HG11 VAL 40 1HG1 VAL 40 -7.169 -6.837 7.320 284 HG12 VAL 40 2HG1 VAL 40 -6.591 -8.253 6.451 285 HG13 VAL 40 3HG1 VAL 40 -8.318 -7.890 6.495 286 HG21 VAL 40 3HG2 VAL 40 -6.743 -8.448 4.144 287 HG22 VAL 40 1HG2 VAL 40 -6.791 -6.987 3.158 288 HG23 VAL 40 2HG2 VAL 40 -8.299 -7.715 3.729 289 H GLU 41 H GLU 41 -9.252 -5.366 7.340 290 HA GLU 41 HA GLU 41 -11.444 -6.989 6.871 291 HB2 GLU 41 2HB GLU 41 -10.785 -5.022 8.951 292 HB3 GLU 41 1HB GLU 41 -12.074 -6.238 9.115 293 HG2 GLU 41 2HG GLU 41 -10.472 -7.463 10.087 294 HG3 GLU 41 1HG GLU 41 -9.854 -7.693 8.466 295 H GLN 42 H GLN 42 -11.134 -3.365 7.248 296 HA GLN 42 HA GLN 42 -13.842 -2.717 6.852 297 HB2 GLN 42 2HB GLN 42 -11.548 -1.187 5.709 298 HB3 GLN 42 1HB GLN 42 -13.104 -0.529 6.206 299 HG2 GLN 42 2HG GLN 42 -10.796 -1.466 7.850 300 HG3 GLN 42 1HG GLN 42 -11.349 0.184 7.636 301 HE21 GLN 42 1HE2 GLN 42 -10.861 -1.219 9.913 302 HE22 GLN 42 2HE2 GLN 42 -12.349 -1.307 10.796 303 H ALA 43 H ALA 43 -11.124 -3.061 4.720 304 HA ALA 43 HA ALA 43 -12.344 -2.118 2.404 305 HB1 ALA 43 1HB ALA 43 -9.934 -3.888 2.642 306 HB2 ALA 43 2HB ALA 43 -9.944 -2.130 2.745 307 HB3 ALA 43 3HB ALA 43 -10.383 -2.926 1.233 308 H GLN 44 H GLN 44 -12.383 -5.160 3.921 309 HA GLN 44 HA GLN 44 -12.845 -6.901 1.786 310 HB2 GLN 44 2HB GLN 44 -12.378 -7.268 4.343 311 HB3 GLN 44 1HB GLN 44 -14.142 -7.360 4.441 312 HG2 GLN 44 2HG GLN 44 -13.355 -9.556 4.209 313 HG3 GLN 44 1HG GLN 44 -13.945 -9.100 2.606 314 HE21 GLN 44 1HE2 GLN 44 -10.941 -7.870 3.963 315 HE22 GLN 44 2HE2 GLN 44 -9.900 -8.684 2.929 316 H GLU 45 H GLU 45 -15.023 -4.933 3.801 317 HA GLU 45 HA GLU 45 -17.328 -5.878 2.375 318 HB2 GLU 45 2HB GLU 45 -18.518 -4.328 3.858 319 HB3 GLU 45 1HB GLU 45 -17.404 -5.511 4.670 320 HG2 GLU 45 2HG GLU 45 -15.863 -3.722 5.072 321 HG3 GLU 45 1HG GLU 45 -16.925 -2.588 4.244 322 H VAL 46 H VAL 46 -15.612 -3.016 2.810 323 HA VAL 46 HA VAL 46 -16.793 -1.132 1.150 324 HB VAL 46 HB VAL 46 -13.835 -1.576 1.545 325 HG11 VAL 46 1HG1 VAL 46 -14.169 -0.120 -0.354 326 HG12 VAL 46 2HG1 VAL 46 -13.489 0.708 1.061 327 HG13 VAL 46 3HG1 VAL 46 -15.203 0.933 0.645 328 HG21 VAL 46 3HG2 VAL 46 -15.740 0.231 3.008 329 HG22 VAL 46 1HG2 VAL 46 -13.989 0.142 3.245 330 HG23 VAL 46 2HG2 VAL 46 -14.989 -1.257 3.616 331 H MET 47 H MET 47 -14.683 -3.813 0.066 332 HA MET 47 HA MET 47 -14.366 -2.973 -2.624 333 HB2 MET 47 2HB MET 47 -13.642 -5.206 -3.176 334 HB3 MET 47 1HB MET 47 -13.031 -4.826 -1.573 335 HG2 MET 47 2HG MET 47 -14.617 -6.224 -0.521 336 HG3 MET 47 1HG MET 47 -15.566 -6.377 -1.992 337 HE1 MET 47 3HE MET 47 -11.636 -6.644 -1.681 338 HE2 MET 47 1HE MET 47 -11.436 -8.374 -1.407 339 HE3 MET 47 2HE MET 47 -12.213 -7.372 -0.179 340 H ALA 48 H ALA 48 -17.088 -4.301 -1.014 341 HA ALA 48 HA ALA 48 -18.337 -5.288 -3.419 342 HB1 ALA 48 1HB ALA 48 -19.426 -4.909 -0.628 343 HB2 ALA 48 2HB ALA 48 -18.723 -6.389 -1.261 344 HB3 ALA 48 3HB ALA 48 -20.233 -5.770 -1.943 345 H ALA 49 H ALA 49 -18.192 -2.438 -1.495 346 HA ALA 49 HA ALA 49 -20.533 -1.246 -2.685 347 HB1 ALA 49 1HB ALA 49 -18.449 -0.055 -0.849 348 HB2 ALA 49 2HB ALA 49 -19.983 -0.762 -0.342 349 HB3 ALA 49 3HB ALA 49 -19.971 0.706 -1.317 350 H ALA 50 H ALA 50 -16.950 -0.821 -2.818 351 HA ALA 50 HA ALA 50 -17.332 0.474 -5.343 352 HB1 ALA 50 1HB ALA 50 -15.483 1.971 -4.697 353 HB2 ALA 50 2HB ALA 50 -15.507 1.277 -3.079 354 HB3 ALA 50 3HB ALA 50 -16.895 2.188 -3.668 355 HA PRO 51 HA PRO 51 -14.505 -3.144 -5.715 356 HB2 PRO 51 2HB PRO 51 -14.910 -3.494 -8.371 357 HB3 PRO 51 1HB PRO 51 -16.024 -4.100 -7.135 358 HG2 PRO 51 2HG PRO 51 -16.198 -1.608 -8.782 359 HG3 PRO 51 1HG PRO 51 -17.461 -2.805 -8.446 360 HD2 PRO 51 2HD PRO 51 -17.311 -0.489 -7.118 361 HD3 PRO 51 1HD PRO 51 -17.845 -1.977 -6.313 362 H LEU 52 H LEU 52 -13.472 -0.624 -5.536 363 HA LEU 52 HA LEU 52 -11.864 -0.165 -7.878 364 HB2 LEU 52 2HB LEU 52 -10.852 1.628 -6.250 365 HB3 LEU 52 1HB LEU 52 -12.341 1.959 -7.087 366 HG LEU 52 HG LEU 52 -13.425 1.002 -4.903 367 HD11 LEU 52 1HD1 LEU 52 -10.744 1.734 -3.791 368 HD12 LEU 52 2HD1 LEU 52 -11.486 0.129 -3.857 369 HD13 LEU 52 3HD1 LEU 52 -12.211 1.388 -2.867 370 HD21 LEU 52 3HD2 LEU 52 -13.343 3.250 -3.842 371 HD22 LEU 52 1HD2 LEU 52 -13.805 3.226 -5.545 372 HD23 LEU 52 2HD2 LEU 52 -12.168 3.727 -5.077 373 H GLN 53 H GLN 53 -9.577 -0.134 -7.805 374 HA GLN 53 HA GLN 53 -8.626 -2.538 -6.719 375 HB2 GLN 53 2HB GLN 53 -8.155 -1.036 -8.904 376 HB3 GLN 53 1HB GLN 53 -6.793 -0.547 -7.907 377 HG2 GLN 53 2HG GLN 53 -7.554 -3.337 -8.457 378 HG3 GLN 53 1HG GLN 53 -6.402 -2.424 -9.451 379 HE21 GLN 53 1HE2 GLN 53 -5.129 -1.003 -7.411 380 HE22 GLN 53 2HE2 GLN 53 -4.247 -2.072 -6.411 381 H TYR 54 H TYR 54 -6.747 -2.739 -5.245 382 HA TYR 54 HA TYR 54 -6.623 -0.472 -3.390 383 HB2 TYR 54 2HB TYR 54 -6.632 -3.419 -2.768 384 HB3 TYR 54 1HB TYR 54 -6.240 -2.156 -1.609 385 HD1 TYR 54 2HD TYR 54 -7.936 -0.714 -0.751 386 HD2 TYR 54 1HD TYR 54 -8.939 -3.811 -3.456 387 HE1 TYR 54 2HE TYR 54 -10.300 -0.490 -0.104 388 HE2 TYR 54 1HE TYR 54 -11.312 -3.617 -2.816 389 HH TYR 54 HH TYR 54 -12.623 -2.805 -0.892 390 H VAL 55 H VAL 55 -4.683 0.161 -2.644 391 HA VAL 55 HA VAL 55 -2.361 -1.510 -3.165 392 HB VAL 55 HB VAL 55 -2.247 0.432 -4.744 393 HG11 VAL 55 1HG1 VAL 55 -3.606 2.037 -3.526 394 HG12 VAL 55 2HG1 VAL 55 -2.026 2.733 -3.894 395 HG13 VAL 55 3HG1 VAL 55 -2.380 2.153 -2.267 396 HG21 VAL 55 3HG2 VAL 55 -0.256 0.708 -2.476 397 HG22 VAL 55 1HG2 VAL 55 -0.015 1.268 -4.127 398 HG23 VAL 55 2HG2 VAL 55 -0.133 -0.465 -3.745 399 H GLY 56 H GLY 56 -0.907 -1.527 -1.480 400 HA2 GLY 56 2HA GLY 56 -1.924 -0.297 1.023 401 HA3 GLY 56 1HA GLY 56 -1.066 -1.863 0.861 402 H VAL 57 H VAL 57 -0.802 1.039 1.952 403 HA VAL 57 HA VAL 57 2.043 1.214 1.260 404 HB VAL 57 HB VAL 57 0.409 3.442 2.485 405 HG11 VAL 57 1HG1 VAL 57 3.066 3.555 1.104 406 HG12 VAL 57 2HG1 VAL 57 2.749 3.700 2.833 407 HG13 VAL 57 3HG1 VAL 57 2.165 4.938 1.727 408 HG21 VAL 57 3HG2 VAL 57 -0.645 3.031 0.360 409 HG22 VAL 57 1HG2 VAL 57 0.906 3.052 -0.475 410 HG23 VAL 57 2HG2 VAL 57 0.275 4.528 0.252 411 H PHE 58 H PHE 58 3.152 0.223 2.961 412 HA PHE 58 HA PHE 58 2.466 0.998 5.620 413 HB2 PHE 58 2HB PHE 58 0.641 -0.641 4.988 414 HB3 PHE 58 1HB PHE 58 1.874 -1.892 4.979 415 HD1 PHE 58 2HD PHE 58 0.280 0.673 7.130 416 HD2 PHE 58 1HD PHE 58 2.468 -2.967 6.994 417 HE1 PHE 58 2HE PHE 58 -0.033 0.399 9.553 418 HE2 PHE 58 1HE PHE 58 2.157 -3.251 9.414 419 HZ PHE 58 HZ PHE 58 0.905 -1.567 10.698 420 H ARG 59 H ARG 59 3.902 0.432 7.084 421 HA ARG 59 HA ARG 59 6.360 -0.707 6.040 422 HB2 ARG 59 2HB ARG 59 5.804 0.519 8.764 423 HB3 ARG 59 1HB ARG 59 7.376 0.199 8.041 424 HG2 ARG 59 2HG ARG 59 7.010 1.909 6.359 425 HG3 ARG 59 1HG ARG 59 5.372 2.150 6.932 426 HD2 ARG 59 2HD ARG 59 7.853 2.679 8.564 427 HD3 ARG 59 1HD ARG 59 6.912 3.906 7.722 428 HE ARG 59 HE ARG 59 5.377 2.303 9.543 429 HH11 ARG 59 1HH1 ARG 59 7.310 5.270 9.226 430 HH12 ARG 59 2HH1 ARG 59 6.678 5.983 10.636 431 HH21 ARG 59 1HH2 ARG 59 4.520 3.325 11.513 432 HH22 ARG 59 2HH2 ARG 59 5.090 4.861 11.947 433 H ASN 60 H ASN 60 5.878 -2.964 5.940 434 HA ASN 60 HA ASN 60 4.511 -4.163 8.075 435 HB2 ASN 60 2HB ASN 60 5.429 -5.137 5.373 436 HB3 ASN 60 1HB ASN 60 4.611 -6.137 6.563 437 HD21 ASN 60 1HD2 ASN 60 2.321 -5.976 6.786 438 HD22 ASN 60 2HD2 ASN 60 1.439 -4.958 5.724 439 H HIS 61 H HIS 61 5.189 -5.844 8.756 440 HA HIS 61 HA HIS 61 8.040 -6.039 9.472 441 HB2 HIS 61 2HB HIS 61 7.185 -7.385 11.510 442 HB3 HIS 61 1HB HIS 61 6.902 -5.645 11.497 443 HD1 HIS 61 1HD HIS 61 4.316 -4.908 11.251 444 HD2 HIS 61 2HD HIS 61 4.968 -9.006 11.580 445 HE1 HIS 61 1HE HIS 61 2.067 -5.952 11.602 446 H ASP 62 H ASP 62 5.480 -8.468 9.538 447 HA ASP 62 HA ASP 62 7.337 -10.595 8.829 448 HB2 ASP 62 2HB ASP 62 5.436 -10.792 10.513 449 HB3 ASP 62 1HB ASP 62 4.338 -10.736 9.147 450 H ILE 63 H ILE 63 7.637 -11.363 6.955 451 HA ILE 63 HA ILE 63 6.594 -10.231 4.597 452 HB ILE 63 HB ILE 63 8.741 -11.311 4.494 453 HG12 ILE 63 2HG1 ILE 63 7.043 -13.237 2.997 454 HG13 ILE 63 1HG1 ILE 63 6.974 -11.532 2.587 455 HG21 ILE 63 1HG2 ILE 63 8.483 -12.940 6.270 456 HG22 ILE 63 2HG2 ILE 63 9.056 -13.717 4.794 457 HG23 ILE 63 3HG2 ILE 63 7.365 -13.870 5.272 458 HD11 ILE 63 3HD1 ILE 63 9.375 -11.560 2.128 459 HD12 ILE 63 1HD1 ILE 63 8.555 -12.771 1.161 460 HD13 ILE 63 2HD1 ILE 63 9.461 -13.260 2.593 461 H ALA 64 H ALA 64 5.482 -12.839 6.576 462 HA ALA 64 HA ALA 64 3.671 -13.870 4.602 463 HB1 ALA 64 1HB ALA 64 4.549 -15.293 6.392 464 HB2 ALA 64 2HB ALA 64 2.789 -15.248 6.424 465 HB3 ALA 64 3HB ALA 64 3.719 -14.303 7.591 466 H ASP 65 H ASP 65 3.684 -11.234 6.681 467 HA ASP 65 HA ASP 65 0.820 -10.991 7.071 468 HB2 ASP 65 2HB ASP 65 2.237 -10.061 8.809 469 HB3 ASP 65 1HB ASP 65 3.102 -9.072 7.638 470 H VAL 66 H VAL 66 3.296 -9.714 5.004 471 HA VAL 66 HA VAL 66 1.630 -7.891 3.596 472 HB VAL 66 HB VAL 66 4.115 -9.269 2.540 473 HG11 VAL 66 1HG1 VAL 66 4.333 -7.272 1.127 474 HG12 VAL 66 2HG1 VAL 66 2.821 -6.648 1.791 475 HG13 VAL 66 3HG1 VAL 66 2.815 -8.125 0.828 476 HG21 VAL 66 3HG2 VAL 66 3.898 -6.723 4.132 477 HG22 VAL 66 1HG2 VAL 66 5.361 -7.294 3.335 478 HG23 VAL 66 2HG2 VAL 66 4.654 -8.227 4.654 479 H VAL 67 H VAL 67 2.688 -11.216 3.124 480 HA VAL 67 HA VAL 67 1.414 -11.687 0.644 481 HB VAL 67 HB VAL 67 2.015 -13.706 2.847 482 HG11 VAL 67 1HG1 VAL 67 1.922 -15.418 1.089 483 HG12 VAL 67 2HG1 VAL 67 1.441 -14.189 -0.080 484 HG13 VAL 67 3HG1 VAL 67 0.369 -14.595 1.262 485 HG21 VAL 67 3HG2 VAL 67 4.022 -14.239 1.555 486 HG22 VAL 67 1HG2 VAL 67 4.019 -12.551 2.054 487 HG23 VAL 67 2HG2 VAL 67 3.618 -12.984 0.391 488 H ASP 68 H ASP 68 0.349 -12.006 3.937 489 HA ASP 68 HA ASP 68 -2.160 -13.135 3.650 490 HB2 ASP 68 2HB ASP 68 -1.157 -12.868 5.817 491 HB3 ASP 68 1HB ASP 68 -1.095 -11.126 5.630 492 H LYS 69 H LYS 69 -1.441 -9.663 3.978 493 HA LYS 69 HA LYS 69 -4.113 -8.841 3.444 494 HB2 LYS 69 2HB LYS 69 -1.592 -7.192 3.099 495 HB3 LYS 69 1HB LYS 69 -3.222 -6.569 3.260 496 HG2 LYS 69 2HG LYS 69 -1.622 -7.992 5.399 497 HG3 LYS 69 1HG LYS 69 -2.026 -6.268 5.316 498 HD2 LYS 69 2HD LYS 69 -4.341 -6.733 5.574 499 HD3 LYS 69 1HD LYS 69 -4.057 -8.475 5.498 500 HE2 LYS 69 2HE LYS 69 -3.034 -6.608 7.633 501 HE3 LYS 69 1HE LYS 69 -4.422 -7.681 7.795 502 HZ1 LYS 69 3HZ LYS 69 -2.577 -8.747 8.789 503 HZ2 LYS 69 1HZ LYS 69 -1.571 -8.485 7.466 504 HZ3 LYS 69 2HZ LYS 69 -2.868 -9.548 7.334 505 H ALA 70 H ALA 70 -1.296 -9.170 1.378 506 HA ALA 70 HA ALA 70 -2.336 -8.010 -0.941 507 HB1 ALA 70 1HB ALA 70 -0.588 -9.179 -2.117 508 HB2 ALA 70 2HB ALA 70 -0.337 -10.251 -0.739 509 HB3 ALA 70 3HB ALA 70 0.039 -8.534 -0.601 510 H LYS 71 H LYS 71 -2.664 -11.239 0.380 511 HA LYS 71 HA LYS 71 -3.938 -12.246 -1.994 512 HB2 LYS 71 2HB LYS 71 -2.587 -13.724 -0.554 513 HB3 LYS 71 1HB LYS 71 -3.732 -13.481 0.756 514 HG2 LYS 71 2HG LYS 71 -5.500 -14.448 -0.713 515 HG3 LYS 71 1HG LYS 71 -4.244 -14.854 -1.874 516 HD2 LYS 71 2HD LYS 71 -4.372 -15.846 0.986 517 HD3 LYS 71 1HD LYS 71 -4.813 -16.781 -0.438 518 HE2 LYS 71 2HE LYS 71 -2.052 -15.667 0.100 519 HE3 LYS 71 1HE LYS 71 -2.558 -17.310 0.460 520 HZ1 LYS 71 3HZ LYS 71 -1.379 -17.190 -1.618 521 HZ2 LYS 71 1HZ LYS 71 -2.484 -16.099 -2.269 522 HZ3 LYS 71 2HZ LYS 71 -2.967 -17.666 -1.890 523 H VAL 72 H VAL 72 -4.957 -11.647 1.363 524 HA VAL 72 HA VAL 72 -7.606 -12.446 1.141 525 HB VAL 72 HB VAL 72 -6.542 -10.278 2.979 526 HG11 VAL 72 1HG1 VAL 72 -9.009 -11.990 3.240 527 HG12 VAL 72 2HG1 VAL 72 -8.963 -10.263 2.873 528 HG13 VAL 72 3HG1 VAL 72 -8.404 -10.845 4.443 529 HG21 VAL 72 3HG2 VAL 72 -6.753 -13.262 3.396 530 HG22 VAL 72 1HG2 VAL 72 -6.367 -12.074 4.651 531 HG23 VAL 72 2HG2 VAL 72 -5.281 -12.276 3.290 532 H LEU 73 H LEU 73 -6.435 -9.073 0.997 533 HA LEU 73 HA LEU 73 -8.996 -8.204 0.062 534 HB2 LEU 73 2HB LEU 73 -7.701 -6.905 1.568 535 HB3 LEU 73 1HB LEU 73 -6.368 -6.777 0.425 536 HG LEU 73 HG LEU 73 -7.822 -5.381 -1.003 537 HD11 LEU 73 1HD1 LEU 73 -9.982 -4.642 -0.118 538 HD12 LEU 73 2HD1 LEU 73 -9.778 -5.724 1.266 539 HD13 LEU 73 3HD1 LEU 73 -9.948 -6.390 -0.357 540 HD21 LEU 73 3HD2 LEU 73 -6.384 -4.378 0.703 541 HD22 LEU 73 1HD2 LEU 73 -7.689 -4.519 1.875 542 HD23 LEU 73 2HD2 LEU 73 -7.873 -3.447 0.484 543 H SER 74 H SER 74 -6.181 -9.438 -1.365 544 HA SER 74 HA SER 74 -5.317 -9.572 -3.381 545 HB2 SER 74 2HB SER 74 -8.150 -9.027 -4.319 546 HB3 SER 74 1HB SER 74 -6.855 -9.715 -5.306 547 HG SER 74 HG SER 74 -7.115 -11.027 -2.950 548 H LEU 75 H LEU 75 -4.025 -7.889 -3.003 549 HA LEU 75 HA LEU 75 -4.661 -5.208 -3.852 550 HB2 LEU 75 2HB LEU 75 -2.054 -6.404 -2.923 551 HB3 LEU 75 1HB LEU 75 -2.419 -4.701 -3.077 552 HG LEU 75 HG LEU 75 -3.706 -6.591 -1.116 553 HD11 LEU 75 1HD1 LEU 75 -1.374 -6.160 -0.620 554 HD12 LEU 75 2HD1 LEU 75 -2.444 -5.417 0.566 555 HD13 LEU 75 3HD1 LEU 75 -1.667 -4.416 -0.672 556 HD21 LEU 75 3HD2 LEU 75 -4.583 -4.528 -0.110 557 HD22 LEU 75 1HD2 LEU 75 -5.212 -4.874 -1.728 558 HD23 LEU 75 2HD2 LEU 75 -3.980 -3.629 -1.514 559 H ALA 76 H ALA 76 -2.574 -4.253 -4.976 560 HA ALA 76 HA ALA 76 -1.827 -5.892 -7.280 561 HB1 ALA 76 1HB ALA 76 -3.493 -4.244 -8.003 562 HB2 ALA 76 2HB ALA 76 -1.904 -3.908 -8.703 563 HB3 ALA 76 3HB ALA 76 -2.497 -2.956 -7.338 564 H ALA 77 H ALA 77 -1.144 -3.197 -5.092 565 HA ALA 77 HA ALA 77 1.640 -3.921 -5.318 566 HB1 ALA 77 1HB ALA 77 2.290 -1.597 -5.502 567 HB2 ALA 77 2HB ALA 77 0.597 -1.128 -5.634 568 HB3 ALA 77 3HB ALA 77 1.340 -2.130 -6.881 569 H VAL 78 H VAL 78 2.868 -3.143 -3.657 570 HA VAL 78 HA VAL 78 1.517 -2.010 -1.332 571 HB VAL 78 HB VAL 78 1.581 -4.433 -0.951 572 HG11 VAL 78 1HG1 VAL 78 4.512 -4.082 -1.493 573 HG12 VAL 78 2HG1 VAL 78 3.386 -5.117 -2.354 574 HG13 VAL 78 3HG1 VAL 78 3.886 -5.538 -0.705 575 HG21 VAL 78 3HG2 VAL 78 2.838 -4.492 1.193 576 HG22 VAL 78 1HG2 VAL 78 1.853 -3.034 1.024 577 HG23 VAL 78 2HG2 VAL 78 3.593 -2.962 0.750 578 H GLN 79 H GLN 79 2.898 -0.540 -0.147 579 HA GLN 79 HA GLN 79 5.286 0.218 -1.542 580 HB2 GLN 79 2HB GLN 79 3.754 1.491 0.659 581 HB3 GLN 79 1HB GLN 79 4.908 2.238 -0.369 582 HG2 GLN 79 2HG GLN 79 2.166 1.250 -1.160 583 HG3 GLN 79 1HG GLN 79 2.747 2.916 -1.123 584 HE21 GLN 79 1HE2 GLN 79 2.969 -0.155 -2.798 585 HE22 GLN 79 2HE2 GLN 79 3.569 0.448 -4.274 586 H LEU 80 H LEU 80 7.056 -0.706 -0.654 587 HA LEU 80 HA LEU 80 7.109 -1.235 2.202 588 HB2 LEU 80 2HB LEU 80 8.249 -2.848 -0.054 589 HB3 LEU 80 1HB LEU 80 8.532 -3.154 1.652 590 HG LEU 80 HG LEU 80 5.796 -3.197 0.405 591 HD11 LEU 80 1HD1 LEU 80 7.127 -4.874 -0.639 592 HD12 LEU 80 2HD1 LEU 80 6.046 -5.646 0.532 593 HD13 LEU 80 3HD1 LEU 80 7.759 -5.374 0.921 594 HD21 LEU 80 3HD2 LEU 80 5.815 -2.832 2.822 595 HD22 LEU 80 1HD2 LEU 80 6.867 -4.233 3.036 596 HD23 LEU 80 2HD2 LEU 80 5.223 -4.445 2.442 597 H HIS 81 H HIS 81 8.921 -0.708 3.227 598 HA HIS 81 HA HIS 81 11.434 -0.098 2.227 599 HB2 HIS 81 2HB HIS 81 11.465 2.398 2.158 600 HB3 HIS 81 1HB HIS 81 10.409 1.737 0.922 601 HD1 HIS 81 1HD HIS 81 10.453 4.194 3.662 602 HD2 HIS 81 2HD HIS 81 7.567 1.996 1.628 603 HE1 HIS 81 1HE HIS 81 8.244 5.277 4.183 604 H GLY 82 H GLY 82 8.944 0.688 4.407 605 HA2 GLY 82 2HA GLY 82 10.610 2.120 6.219 606 HA3 GLY 82 1HA GLY 82 8.954 1.714 6.513 607 H ASN 83 H ASN 83 9.160 -1.150 6.862 608 HA ASN 83 HA ASN 83 10.142 -0.684 9.535 609 HB2 ASN 83 2HB ASN 83 7.885 -1.505 9.355 610 HB3 ASN 83 1HB ASN 83 8.464 -2.991 8.623 611 HD21 ASN 83 1HD2 ASN 83 10.041 -1.375 11.364 612 HD22 ASN 83 2HD2 ASN 83 9.726 -2.642 12.478 613 H GLU 84 H GLU 84 10.604 -3.704 7.590 614 HA GLU 84 HA GLU 84 12.445 -4.391 9.661 615 HB2 GLU 84 2HB GLU 84 11.145 -5.892 7.539 616 HB3 GLU 84 1HB GLU 84 12.765 -6.443 7.941 617 HG2 GLU 84 2HG GLU 84 10.531 -6.055 9.915 618 HG3 GLU 84 1HG GLU 84 11.045 -7.605 9.235 619 H GLU 85 H GLU 85 13.009 -3.762 6.194 620 HA GLU 85 HA GLU 85 15.688 -2.988 6.631 621 HB2 GLU 85 2HB GLU 85 15.343 -5.737 6.874 622 HB3 GLU 85 1HB GLU 85 15.848 -5.525 5.205 623 HG2 GLU 85 2HG GLU 85 17.320 -4.621 7.672 624 HG3 GLU 85 1HG GLU 85 17.756 -5.926 6.570 625 H GLN 86 H GLN 86 16.862 -3.025 4.499 626 HA GLN 86 HA GLN 86 15.253 -2.064 2.363 627 HB2 GLN 86 2HB GLN 86 18.181 -2.651 2.751 628 HB3 GLN 86 1HB GLN 86 17.506 -1.808 1.368 629 HG2 GLN 86 2HG GLN 86 16.809 0.029 2.779 630 HG3 GLN 86 1HG GLN 86 17.297 -0.852 4.223 631 HE21 GLN 86 1HE2 GLN 86 19.779 -1.843 3.079 632 HE22 GLN 86 2HE2 GLN 86 20.830 -0.497 2.970 633 H LEU 87 H LEU 87 17.353 -4.704 3.199 634 HA LEU 87 HA LEU 87 17.165 -6.180 0.805 635 HB2 LEU 87 2HB LEU 87 17.944 -7.019 3.567 636 HB3 LEU 87 1HB LEU 87 18.197 -7.963 2.107 637 HG LEU 87 HG LEU 87 19.304 -5.223 2.480 638 HD11 LEU 87 1HD1 LEU 87 20.606 -7.885 3.080 639 HD12 LEU 87 2HD1 LEU 87 20.189 -6.593 4.227 640 HD13 LEU 87 3HD1 LEU 87 21.452 -6.330 3.024 641 HD21 LEU 87 3HD2 LEU 87 20.871 -5.931 0.714 642 HD22 LEU 87 1HD2 LEU 87 19.184 -5.934 0.197 643 HD23 LEU 87 2HD2 LEU 87 19.991 -7.458 0.582 644 H TYR 88 H TYR 88 15.118 -5.799 3.423 645 HA TYR 88 HA TYR 88 13.774 -8.283 3.495 646 HB2 TYR 88 2HB TYR 88 13.506 -6.808 5.344 647 HB3 TYR 88 1HB TYR 88 12.992 -5.489 4.309 648 HD1 TYR 88 1HD TYR 88 11.865 -9.020 4.872 649 HD2 TYR 88 2HD TYR 88 10.819 -4.908 4.638 650 HE1 TYR 88 1HE TYR 88 9.525 -9.602 5.305 651 HE2 TYR 88 2HE TYR 88 8.472 -5.466 5.113 652 HH TYR 88 HH TYR 88 7.515 -8.420 6.294 653 H ILE 89 H ILE 89 13.327 -5.366 1.618 654 HA ILE 89 HA ILE 89 10.887 -6.056 0.371 655 HB ILE 89 HB ILE 89 13.102 -4.108 -0.269 656 HG12 ILE 89 2HG1 ILE 89 11.323 -2.399 0.068 657 HG13 ILE 89 1HG1 ILE 89 10.197 -3.698 0.419 658 HG21 ILE 89 1HG2 ILE 89 12.323 -4.821 -2.448 659 HG22 ILE 89 2HG2 ILE 89 11.757 -3.173 -2.123 660 HG23 ILE 89 3HG2 ILE 89 10.652 -4.544 -1.955 661 HD11 ILE 89 3HD1 ILE 89 10.954 -2.585 2.436 662 HD12 ILE 89 1HD1 ILE 89 12.626 -2.982 2.042 663 HD13 ILE 89 2HD1 ILE 89 11.475 -4.269 2.399 664 H ASP 90 H ASP 90 14.138 -6.851 -0.206 665 HA ASP 90 HA ASP 90 14.030 -7.813 -2.867 666 HB2 ASP 90 2HB ASP 90 16.052 -7.132 -1.626 667 HB3 ASP 90 1HB ASP 90 15.839 -8.501 -0.560 668 H THR 91 H THR 91 13.008 -8.988 0.086 669 HA THR 91 HA THR 91 13.069 -11.823 -0.540 670 HB THR 91 HB THR 91 12.318 -10.241 1.917 671 HG1 THR 91 1HG THR 91 14.670 -11.227 0.888 672 HG21 THR 91 3HG2 THR 91 12.363 -12.359 3.088 673 HG22 THR 91 1HG2 THR 91 12.765 -13.202 1.563 674 HG23 THR 91 2HG2 THR 91 11.228 -12.336 1.726 675 H LEU 92 H LEU 92 10.793 -9.289 0.324 676 HA LEU 92 HA LEU 92 8.425 -10.563 0.220 677 HB2 LEU 92 2HB LEU 92 9.032 -7.795 -0.644 678 HB3 LEU 92 1HB LEU 92 7.430 -8.434 -0.920 679 HG LEU 92 HG LEU 92 7.278 -7.221 1.044 680 HD11 LEU 92 1HD1 LEU 92 6.231 -9.394 1.193 681 HD12 LEU 92 2HD1 LEU 92 6.768 -8.753 2.753 682 HD13 LEU 92 3HD1 LEU 92 7.727 -9.987 1.937 683 HD21 LEU 92 3HD2 LEU 92 8.795 -7.531 2.931 684 HD22 LEU 92 1HD2 LEU 92 9.564 -6.857 1.494 685 HD23 LEU 92 2HD2 LEU 92 9.781 -8.562 1.890 686 H ARG 93 H ARG 93 10.105 -9.377 -2.672 687 HA ARG 93 HA ARG 93 7.908 -9.757 -4.444 688 HB2 ARG 93 2HB ARG 93 10.742 -10.229 -5.333 689 HB3 ARG 93 1HB ARG 93 9.391 -9.884 -6.377 690 HG2 ARG 93 2HG ARG 93 10.216 -7.823 -6.386 691 HG3 ARG 93 1HG ARG 93 9.464 -7.682 -4.791 692 HD2 ARG 93 2HD ARG 93 11.804 -7.008 -4.799 693 HD3 ARG 93 1HD ARG 93 11.474 -8.356 -3.717 694 HE ARG 93 HE ARG 93 12.181 -9.636 -5.987 695 HH11 ARG 93 1HH1 ARG 93 13.958 -6.907 -4.602 696 HH12 ARG 93 2HH1 ARG 93 15.467 -7.710 -4.722 697 HH21 ARG 93 1HH2 ARG 93 14.229 -10.626 -6.251 698 HH22 ARG 93 2HH2 ARG 93 15.639 -9.837 -5.715 699 H GLU 94 H GLU 94 10.036 -11.954 -3.047 700 HA GLU 94 HA GLU 94 9.749 -14.055 -5.005 701 HB2 GLU 94 2HB GLU 94 10.836 -14.225 -2.226 702 HB3 GLU 94 1HB GLU 94 11.158 -15.346 -3.551 703 HG2 GLU 94 2HG GLU 94 12.211 -13.442 -4.776 704 HG3 GLU 94 1HG GLU 94 12.001 -12.486 -3.306 705 H ALA 95 H ALA 95 8.362 -13.207 -1.948 706 HA ALA 95 HA ALA 95 6.875 -15.711 -1.862 707 HB1 ALA 95 1HB ALA 95 7.867 -14.853 0.224 708 HB2 ALA 95 2HB ALA 95 6.121 -15.084 0.346 709 HB3 ALA 95 3HB ALA 95 6.786 -13.463 0.138 710 H LEU 96 H LEU 96 6.470 -12.603 -2.751 711 HA LEU 96 HA LEU 96 3.531 -12.696 -2.878 712 HB2 LEU 96 2HB LEU 96 5.482 -10.590 -3.823 713 HB3 LEU 96 1HB LEU 96 3.741 -10.451 -3.917 714 HG LEU 96 HG LEU 96 5.348 -10.603 -1.361 715 HD11 LEU 96 1HD1 LEU 96 4.735 -8.254 -1.103 716 HD12 LEU 96 2HD1 LEU 96 3.949 -8.284 -2.680 717 HD13 LEU 96 3HD1 LEU 96 5.697 -8.511 -2.561 718 HD21 LEU 96 3HD2 LEU 96 3.101 -11.557 -1.130 719 HD22 LEU 96 1HD2 LEU 96 2.406 -10.092 -1.819 720 HD23 LEU 96 2HD2 LEU 96 3.240 -10.030 -0.266 721 HA PRO 97 HA PRO 97 3.692 -14.261 -7.011 722 HB2 PRO 97 2HB PRO 97 1.178 -13.613 -7.783 723 HB3 PRO 97 1HB PRO 97 1.506 -15.002 -6.743 724 HG2 PRO 97 2HG PRO 97 0.559 -12.270 -6.025 725 HG3 PRO 97 1HG PRO 97 0.020 -13.838 -5.386 726 HD2 PRO 97 2HD PRO 97 1.745 -12.222 -4.046 727 HD3 PRO 97 1HD PRO 97 1.816 -13.992 -3.933 728 H ALA 98 H ALA 98 3.389 -13.323 -9.171 729 HA ALA 98 HA ALA 98 4.460 -10.666 -9.239 730 HB1 ALA 98 1HB ALA 98 3.610 -12.440 -11.512 731 HB2 ALA 98 2HB ALA 98 5.215 -12.390 -10.778 732 HB3 ALA 98 3HB ALA 98 4.592 -10.982 -11.641 733 H HIS 99 H HIS 99 1.467 -11.599 -8.769 734 HA HIS 99 HA HIS 99 0.102 -9.669 -10.443 735 HB2 HIS 99 2HB HIS 99 -0.942 -11.387 -8.182 736 HB3 HIS 99 1HB HIS 99 -1.954 -10.436 -9.275 737 HD1 HIS 99 1HD HIS 99 -1.651 -13.713 -8.736 738 HD2 HIS 99 2HD HIS 99 -0.589 -11.394 -11.958 739 HE1 HIS 99 1HE HIS 99 -1.488 -15.321 -10.668 740 H VAL 100 H VAL 100 1.561 -9.929 -7.236 741 HA VAL 100 HA VAL 100 0.426 -7.419 -6.474 742 HB VAL 100 HB VAL 100 1.925 -9.575 -4.978 743 HG11 VAL 100 1HG1 VAL 100 0.594 -7.081 -4.008 744 HG12 VAL 100 2HG1 VAL 100 2.329 -7.376 -4.190 745 HG13 VAL 100 3HG1 VAL 100 1.396 -8.305 -2.990 746 HG21 VAL 100 3HG2 VAL 100 -0.354 -10.224 -5.635 747 HG22 VAL 100 1HG2 VAL 100 -0.973 -8.791 -4.822 748 HG23 VAL 100 2HG2 VAL 100 -0.187 -10.078 -3.886 749 H ALA 101 H ALA 101 1.803 -5.769 -6.415 750 HA ALA 101 HA ALA 101 4.593 -6.319 -7.143 751 HB1 ALA 101 1HB ALA 101 4.568 -4.159 -8.286 752 HB2 ALA 101 2HB ALA 101 2.873 -3.948 -7.851 753 HB3 ALA 101 3HB ALA 101 3.349 -5.251 -8.940 754 H ILE 102 H ILE 102 5.976 -4.358 -6.541 755 HA ILE 102 HA ILE 102 5.262 -3.455 -3.858 756 HB ILE 102 HB ILE 102 7.958 -4.207 -4.956 757 HG12 ILE 102 2HG1 ILE 102 6.343 -5.588 -2.758 758 HG13 ILE 102 1HG1 ILE 102 6.713 -6.229 -4.359 759 HG21 ILE 102 1HG2 ILE 102 8.224 -2.407 -3.755 760 HG22 ILE 102 2HG2 ILE 102 8.702 -3.663 -2.558 761 HG23 ILE 102 3HG2 ILE 102 7.102 -2.828 -2.490 762 HD11 ILE 102 3HD1 ILE 102 9.145 -6.071 -3.712 763 HD12 ILE 102 1HD1 ILE 102 8.176 -7.302 -2.888 764 HD13 ILE 102 2HD1 ILE 102 8.576 -5.795 -2.072 765 H TRP 103 H TRP 103 5.472 -1.254 -3.717 766 HA TRP 103 HA TRP 103 7.163 -0.056 -5.823 767 HB2 TRP 103 2HB TRP 103 4.855 1.360 -4.544 768 HB3 TRP 103 1HB TRP 103 5.877 1.979 -5.788 769 HD1 TRP 103 HD TRP 103 5.519 -1.053 -7.396 770 HE1 TRP 103 1HE TRP 103 3.395 -1.274 -8.838 771 HE3 TRP 103 3HE TRP 103 2.826 2.698 -5.394 772 HZ2 TRP 103 2HZ TRP 103 0.910 0.005 -9.105 773 HZ3 TRP 103 3HZ TRP 103 0.558 3.193 -6.298 774 HH2 TRP 103 HH TRP 103 -0.359 1.857 -8.130 775 H LYS 104 H LYS 104 8.297 1.814 -5.246 776 HA LYS 104 HA LYS 104 8.832 1.897 -2.391 777 HB2 LYS 104 2HB LYS 104 10.892 1.456 -3.492 778 HB3 LYS 104 1HB LYS 104 10.580 2.680 -4.725 779 HG2 LYS 104 2HG LYS 104 10.799 4.444 -3.090 780 HG3 LYS 104 1HG LYS 104 10.980 3.270 -1.800 781 HD2 LYS 104 2HD LYS 104 13.113 2.599 -2.635 782 HD3 LYS 104 1HD LYS 104 12.884 3.537 -4.108 783 HE2 LYS 104 2HE LYS 104 14.359 4.625 -2.362 784 HE3 LYS 104 1HE LYS 104 13.025 5.607 -2.963 785 HZ1 LYS 104 3HZ LYS 104 13.072 4.162 -0.331 786 HZ2 LYS 104 1HZ LYS 104 11.788 5.100 -0.892 787 HZ3 LYS 104 2HZ LYS 104 13.266 5.784 -0.562 788 H ALA 105 H ALA 105 8.052 3.382 -1.344 789 HA ALA 105 HA ALA 105 7.048 5.828 -2.380 790 HB1 ALA 105 1HB ALA 105 7.862 5.068 0.437 791 HB2 ALA 105 2HB ALA 105 6.241 4.938 -0.250 792 HB3 ALA 105 3HB ALA 105 6.972 6.525 0.000 793 H LEU 106 H LEU 106 8.312 7.321 -3.235 794 HA LEU 106 HA LEU 106 11.113 7.521 -2.521 795 HB2 LEU 106 2HB LEU 106 10.220 7.398 -4.874 796 HB3 LEU 106 1HB LEU 106 9.507 8.969 -4.609 797 HG LEU 106 HG LEU 106 11.890 9.780 -4.108 798 HD11 LEU 106 1HD1 LEU 106 13.668 8.466 -5.185 799 HD12 LEU 106 2HD1 LEU 106 12.495 7.165 -5.442 800 HD13 LEU 106 3HD1 LEU 106 12.937 7.645 -3.801 801 HD21 LEU 106 3HD2 LEU 106 10.673 10.365 -6.149 802 HD22 LEU 106 1HD2 LEU 106 11.198 8.860 -6.899 803 HD23 LEU 106 2HD2 LEU 106 12.383 10.100 -6.486 804 H SER 107 H SER 107 11.389 8.812 -0.735 805 HA SER 107 HA SER 107 9.671 10.998 -0.152 806 HB2 SER 107 2HB SER 107 12.459 10.431 0.881 807 HB3 SER 107 1HB SER 107 11.233 11.436 1.652 808 HG SER 107 HG SER 107 10.493 9.726 2.558 809 H VAL 108 H VAL 108 9.945 13.097 -0.725 810 HA VAL 108 HA VAL 108 11.617 13.621 -2.956 811 HB VAL 108 HB VAL 108 10.827 15.956 -2.805 812 HG11 VAL 108 1HG1 VAL 108 9.528 14.376 -4.055 813 HG12 VAL 108 2HG1 VAL 108 8.424 15.451 -3.188 814 HG13 VAL 108 3HG1 VAL 108 8.725 13.818 -2.593 815 HG21 VAL 108 3HG2 VAL 108 9.127 16.577 -1.144 816 HG22 VAL 108 1HG2 VAL 108 10.659 16.166 -0.373 817 HG23 VAL 108 2HG2 VAL 108 9.322 15.010 -0.362 818 H GLY 109 H GLY 109 13.265 15.219 -3.132 819 HA2 GLY 109 2HA GLY 109 14.447 16.720 -1.298 820 HA3 GLY 109 1HA GLY 109 15.011 15.111 -0.861 821 H GLU 110 H GLU 110 17.031 16.163 -1.337 822 HA GLU 110 HA GLU 110 17.662 16.431 -4.172 823 HB2 GLU 110 2HB GLU 110 19.675 17.601 -3.442 824 HB3 GLU 110 1HB GLU 110 18.268 18.302 -2.670 825 HG2 GLU 110 2HG GLU 110 20.286 16.455 -1.398 826 HG3 GLU 110 1HG GLU 110 20.140 18.188 -1.121 827 H THR 111 H THR 111 18.459 14.641 -1.293 828 HA THR 111 HA THR 111 20.510 13.144 -2.590 829 HB THR 111 HB THR 111 20.364 11.837 -0.320 830 HG1 THR 111 1HG THR 111 18.961 14.261 0.314 831 HG21 THR 111 3HG2 THR 111 22.203 13.350 -0.935 832 HG22 THR 111 1HG2 THR 111 21.768 13.550 0.763 833 HG23 THR 111 2HG2 THR 111 21.241 14.738 -0.429 834 H LEU 112 H LEU 112 19.701 11.983 -4.188 835 HA LEU 112 HA LEU 112 17.358 10.338 -3.856 836 HB2 LEU 112 2HB LEU 112 19.326 10.546 -6.137 837 HB3 LEU 112 1HB LEU 112 17.825 9.645 -6.176 838 HG LEU 112 HG LEU 112 18.088 12.640 -5.933 839 HD11 LEU 112 1HD1 LEU 112 17.117 12.663 -8.180 840 HD12 LEU 112 2HD1 LEU 112 17.152 10.902 -8.212 841 HD13 LEU 112 3HD1 LEU 112 18.660 11.812 -8.145 842 HD21 LEU 112 3HD2 LEU 112 15.619 10.914 -6.173 843 HD22 LEU 112 1HD2 LEU 112 15.654 12.678 -6.177 844 HD23 LEU 112 2HD2 LEU 112 16.128 11.793 -4.729 845 HA PRO 113 HA PRO 113 19.641 6.815 -2.399 846 HB2 PRO 113 2HB PRO 113 17.949 4.854 -3.188 847 HB3 PRO 113 1HB PRO 113 17.659 5.859 -1.763 848 HG2 PRO 113 2HG PRO 113 16.494 6.101 -4.514 849 HG3 PRO 113 1HG PRO 113 15.697 6.305 -2.945 850 HD2 PRO 113 2HD PRO 113 16.467 8.399 -4.448 851 HD3 PRO 113 1HD PRO 113 16.503 8.447 -2.673 852 H ALA 114 H ALA 114 21.085 5.374 -3.209 853 HA ALA 114 HA ALA 114 21.432 5.317 -6.083 854 HB1 ALA 114 1HB ALA 114 23.504 4.054 -5.567 855 HB2 ALA 114 2HB ALA 114 23.052 4.062 -3.857 856 HB3 ALA 114 3HB ALA 114 23.411 5.575 -4.680 857 H ARG 115 H ARG 115 20.763 3.127 -3.426 858 HA ARG 115 HA ARG 115 18.961 1.552 -4.667 859 HB2 ARG 115 2HB ARG 115 20.094 -0.575 -5.009 860 HB3 ARG 115 1HB ARG 115 20.728 0.631 -6.117 861 HG2 ARG 115 2HG ARG 115 22.734 0.838 -4.821 862 HG3 ARG 115 1HG ARG 115 22.085 -0.220 -3.564 863 HD2 ARG 115 2HD ARG 115 21.971 -2.039 -5.244 864 HD3 ARG 115 1HD ARG 115 22.749 -0.965 -6.406 865 HE ARG 115 HE ARG 115 24.568 -0.838 -4.642 866 HH11 ARG 115 1HH1 ARG 115 22.682 -3.757 -5.326 867 HH12 ARG 115 2HH1 ARG 115 23.869 -4.845 -4.826 868 HH21 ARG 115 1HH2 ARG 115 26.263 -2.363 -3.956 869 HH22 ARG 115 2HH2 ARG 115 25.969 -4.032 -4.039 870 H GLU 116 H GLU 116 17.904 0.910 -3.102 871 HA GLU 116 HA GLU 116 19.223 0.177 -0.562 872 HB2 GLU 116 2HB GLU 116 16.572 1.558 -0.490 873 HB3 GLU 116 1HB GLU 116 17.852 1.567 0.696 874 HG2 GLU 116 2HG GLU 116 17.861 3.135 -1.874 875 HG3 GLU 116 1HG GLU 116 17.370 3.776 -0.320 876 H PHE 117 H PHE 117 16.121 0.546 -2.163 877 HA PHE 117 HA PHE 117 15.257 -2.140 -1.360 878 HB2 PHE 117 2HB PHE 117 13.546 0.202 -2.243 879 HB3 PHE 117 1HB PHE 117 13.012 -1.274 -1.447 880 HD1 PHE 117 2HD PHE 117 13.766 -1.659 0.921 881 HD2 PHE 117 1HD PHE 117 14.109 2.098 -1.000 882 HE1 PHE 117 2HE PHE 117 13.990 -0.552 3.119 883 HE2 PHE 117 1HE PHE 117 14.340 3.216 1.175 884 HZ PHE 117 HZ PHE 117 14.284 1.884 3.242 885 H GLN 118 H GLN 118 15.675 -3.419 -3.124 886 HA GLN 118 HA GLN 118 15.175 -2.145 -5.670 887 HB2 GLN 118 2HB GLN 118 17.368 -3.938 -4.949 888 HB3 GLN 118 1HB GLN 118 16.714 -4.068 -6.579 889 HG2 GLN 118 2HG GLN 118 16.994 -1.755 -6.905 890 HG3 GLN 118 1HG GLN 118 17.710 -1.537 -5.296 891 HE21 GLN 118 1HE2 GLN 118 18.154 -2.596 -8.522 892 HE22 GLN 118 2HE2 GLN 118 19.841 -2.917 -8.424 893 H HIS 119 H HIS 119 14.710 -3.246 -7.441 894 HA HIS 119 HA HIS 119 13.448 -4.283 -8.693 895 HB2 HIS 119 2HB HIS 119 13.761 -6.544 -6.744 896 HB3 HIS 119 1HB HIS 119 12.685 -6.728 -8.129 897 HD1 HIS 119 1HD HIS 119 15.948 -7.733 -7.346 898 HD2 HIS 119 2HD HIS 119 14.339 -5.599 -10.536 899 HE1 HIS 119 1HE HIS 119 17.576 -7.950 -9.219 900 H VAL 120 H VAL 120 12.501 -2.502 -6.949 901 HA VAL 120 HA VAL 120 9.819 -3.238 -6.296 902 HB VAL 120 HB VAL 120 9.450 -0.842 -5.826 903 HG11 VAL 120 1HG1 VAL 120 11.076 -0.541 -4.011 904 HG12 VAL 120 2HG1 VAL 120 12.061 -1.830 -4.695 905 HG13 VAL 120 3HG1 VAL 120 10.455 -2.191 -4.074 906 HG21 VAL 120 3HG2 VAL 120 11.275 0.813 -6.060 907 HG22 VAL 120 1HG2 VAL 120 10.790 0.144 -7.618 908 HG23 VAL 120 2HG2 VAL 120 12.272 -0.414 -6.840 909 H ASP 121 H ASP 121 8.070 -2.662 -7.440 910 HA ASP 121 HA ASP 121 8.482 -3.052 -10.276 911 HB2 ASP 121 2HB ASP 121 6.585 -4.053 -8.988 912 HB3 ASP 121 1HB ASP 121 5.874 -2.452 -8.890 913 H LYS 122 H LYS 122 7.308 -0.426 -8.307 914 HA LYS 122 HA LYS 122 7.831 1.491 -10.423 915 HB2 LYS 122 2HB LYS 122 5.128 1.308 -9.019 916 HB3 LYS 122 1HB LYS 122 5.613 2.632 -10.047 917 HG2 LYS 122 2HG LYS 122 5.689 1.110 -11.961 918 HG3 LYS 122 1HG LYS 122 5.224 -0.231 -10.914 919 HD2 LYS 122 2HD LYS 122 3.141 1.003 -10.356 920 HD3 LYS 122 1HD LYS 122 3.596 2.236 -11.530 921 HE2 LYS 122 2HE LYS 122 3.163 -0.687 -12.154 922 HE3 LYS 122 1HE LYS 122 1.972 0.582 -12.425 923 HZ1 LYS 122 3HZ LYS 122 4.630 0.328 -13.735 924 HZ2 LYS 122 1HZ LYS 122 3.525 1.596 -13.980 925 HZ3 LYS 122 2HZ LYS 122 3.111 0.029 -14.424 926 H TYR 123 H TYR 123 7.818 3.727 -9.474 927 HA TYR 123 HA TYR 123 8.022 3.667 -6.570 928 HB2 TYR 123 2HB TYR 123 9.917 5.196 -6.571 929 HB3 TYR 123 1HB TYR 123 10.314 3.884 -7.670 930 HD1 TYR 123 1HD TYR 123 10.338 4.281 -10.090 931 HD2 TYR 123 2HD TYR 123 9.585 7.379 -7.304 932 HE1 TYR 123 1HE TYR 123 10.742 5.921 -11.827 933 HE2 TYR 123 2HE TYR 123 9.971 9.036 -8.975 934 HH TYR 123 HH TYR 123 10.182 8.228 -12.316 935 H VAL 124 H VAL 124 7.160 5.439 -5.543 936 HA VAL 124 HA VAL 124 5.729 7.363 -7.219 937 HB VAL 124 HB VAL 124 3.719 7.187 -5.759 938 HG11 VAL 124 1HG1 VAL 124 3.720 5.946 -7.857 939 HG12 VAL 124 2HG1 VAL 124 2.826 5.076 -6.611 940 HG13 VAL 124 3HG1 VAL 124 4.455 4.560 -7.047 941 HG21 VAL 124 3HG2 VAL 124 5.108 4.778 -4.580 942 HG22 VAL 124 1HG2 VAL 124 3.449 5.272 -4.240 943 HG23 VAL 124 2HG2 VAL 124 4.800 6.302 -3.751 944 H LEU 125 H LEU 125 4.767 9.093 -5.583 945 HA LEU 125 HA LEU 125 7.045 9.950 -4.092 946 HB2 LEU 125 2HB LEU 125 5.689 12.006 -3.585 947 HB3 LEU 125 1HB LEU 125 5.953 11.696 -5.281 948 HG LEU 125 HG LEU 125 3.569 10.749 -5.321 949 HD11 LEU 125 1HD1 LEU 125 2.024 11.564 -3.624 950 HD12 LEU 125 2HD1 LEU 125 3.379 12.203 -2.693 951 HD13 LEU 125 3HD1 LEU 125 3.220 10.464 -2.934 952 HD21 LEU 125 3HD2 LEU 125 3.997 13.672 -4.736 953 HD22 LEU 125 1HD2 LEU 125 2.581 12.981 -5.526 954 HD23 LEU 125 2HD2 LEU 125 4.159 12.884 -6.305 955 H ASP 126 H ASP 126 7.234 10.286 -1.924 956 HA ASP 126 HA ASP 126 5.930 8.357 -0.296 957 HB2 ASP 126 2HB ASP 126 8.282 9.100 0.055 958 HB3 ASP 126 1HB ASP 126 7.674 10.679 0.532 959 H ASN 127 H ASN 127 4.239 8.546 1.091 960 HA ASN 127 HA ASN 127 2.454 10.660 0.779 961 HB2 ASN 127 2HB ASN 127 1.862 8.308 1.283 962 HB3 ASN 127 1HB ASN 127 2.543 8.508 2.891 963 HD21 ASN 127 1HD2 ASN 127 -0.011 9.389 0.740 964 HD22 ASN 127 2HD2 ASN 127 -1.063 10.006 1.948 965 H GLY 128 H GLY 128 4.901 9.903 3.185 966 HA2 GLY 128 2HA GLY 128 4.036 11.845 5.075 967 HA3 GLY 128 1HA GLY 128 5.569 10.979 5.075 968 H GLN 129 H GLN 129 6.977 11.656 3.103 969 HA GLN 129 HA GLN 129 6.932 14.588 3.071 970 HB2 GLN 129 2HB GLN 129 8.846 13.720 4.360 971 HB3 GLN 129 1HB GLN 129 9.395 12.840 2.940 972 HG2 GLN 129 2HG GLN 129 9.670 14.978 1.742 973 HG3 GLN 129 1HG GLN 129 9.168 15.837 3.192 974 HE21 GLN 129 1HE2 GLN 129 10.617 14.004 4.952 975 HE22 GLN 129 2HE2 GLN 129 12.278 14.417 4.768 976 H GLY 130 H GLY 130 5.727 14.666 1.292 977 HA2 GLY 130 2HA GLY 130 7.213 14.139 -1.196 978 HA3 GLY 130 1HA GLY 130 5.484 13.823 -1.084 979 H GLY 131 H GLY 131 5.109 16.194 0.646 980 HA2 GLY 131 2HA GLY 131 5.619 18.592 0.248 981 HA3 GLY 131 1HA GLY 131 5.255 18.240 -1.443 982 H ALA 132 H ALA 132 3.158 17.179 -1.783 983 HA ALA 132 HA ALA 132 1.081 17.664 0.153 984 HB1 ALA 132 1HB ALA 132 1.048 19.202 -2.445 985 HB2 ALA 132 2HB ALA 132 1.311 19.899 -0.848 986 HB3 ALA 132 3HB ALA 132 -0.246 19.175 -1.248 987 H GLY 133 H GLY 133 2.182 16.585 -2.955 988 HA2 GLY 133 2HA GLY 133 1.626 14.666 -4.058 989 HA3 GLY 133 1HA GLY 133 0.418 14.339 -2.817 990 H SER 134 H SER 134 0.792 17.210 -4.830 991 HA SER 134 HA SER 134 -1.510 16.465 -6.395 992 HB2 SER 134 2HB SER 134 -1.371 19.033 -4.766 993 HB3 SER 134 1HB SER 134 -2.641 18.624 -5.919 994 HG SER 134 HG SER 134 -2.221 16.645 -4.128 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -9.352 13.256 -13.431 2 H2 MET 1 2HT MET 1 -9.815 14.858 -13.200 3 H3 MET 1 3HT MET 1 -11.000 13.661 -13.367 4 HA MET 1 HA MET 1 -10.736 14.372 -11.078 5 HB2 MET 1 2HB MET 1 -10.552 12.206 -10.050 6 HB3 MET 1 1HB MET 1 -11.267 11.918 -11.617 7 HG2 MET 1 2HG MET 1 -8.375 11.494 -10.901 8 HG3 MET 1 1HG MET 1 -9.596 10.237 -10.995 9 HE1 MET 1 2HE MET 1 -10.329 10.027 -14.802 10 HE2 MET 1 3HE MET 1 -11.247 10.938 -13.600 11 HE3 MET 1 1HE MET 1 -10.624 9.334 -13.212 12 H GLY 2 H GLY 2 -9.331 14.173 -9.151 13 HA2 GLY 2 2HA GLY 2 -6.501 14.627 -9.842 14 HA3 GLY 2 1HA GLY 2 -7.312 15.272 -8.407 15 H GLU 3 H GLU 3 -6.845 12.196 -10.030 16 HA GLU 3 HA GLU 3 -6.550 10.098 -9.402 17 HB2 GLU 3 2HB GLU 3 -5.378 11.297 -6.881 18 HB3 GLU 3 1HB GLU 3 -5.288 9.590 -7.304 19 HG2 GLU 3 2HG GLU 3 -4.011 10.157 -9.308 20 HG3 GLU 3 1HG GLU 3 -4.100 11.866 -8.880 21 H ASN 4 H ASN 4 -7.419 8.314 -7.969 22 HA ASN 4 HA ASN 4 -9.793 9.322 -6.622 23 HB2 ASN 4 2HB ASN 4 -10.974 7.246 -7.361 24 HB3 ASN 4 1HB ASN 4 -10.394 8.150 -8.735 25 HD21 ASN 4 1HD2 ASN 4 -11.067 5.377 -8.435 26 HD22 ASN 4 2HD2 ASN 4 -9.682 4.435 -8.890 27 H LYS 5 H LYS 5 -7.185 8.904 -5.790 28 HA LYS 5 HA LYS 5 -6.956 6.550 -4.238 29 HB2 LYS 5 2HB LYS 5 -5.051 7.739 -3.085 30 HB3 LYS 5 1HB LYS 5 -4.899 7.576 -4.822 31 HG2 LYS 5 2HG LYS 5 -5.517 9.907 -5.121 32 HG3 LYS 5 1HG LYS 5 -5.796 10.072 -3.387 33 HD2 LYS 5 2HD LYS 5 -3.455 9.643 -2.933 34 HD3 LYS 5 1HD LYS 5 -3.150 9.337 -4.640 35 HE2 LYS 5 2HE LYS 5 -2.410 11.585 -3.995 36 HE3 LYS 5 1HE LYS 5 -3.710 11.651 -5.170 37 HZ1 LYS 5 3HZ LYS 5 -4.051 11.995 -2.252 38 HZ2 LYS 5 1HZ LYS 5 -5.248 12.197 -3.409 39 HZ3 LYS 5 2HZ LYS 5 -3.943 13.258 -3.349 40 H VAL 6 H VAL 6 -8.752 6.303 -3.053 41 HA VAL 6 HA VAL 6 -9.437 8.325 -1.156 42 HB VAL 6 HB VAL 6 -11.289 6.770 -0.493 43 HG11 VAL 6 1HG1 VAL 6 -11.103 7.572 -3.395 44 HG12 VAL 6 2HG1 VAL 6 -11.604 8.603 -2.057 45 HG13 VAL 6 3HG1 VAL 6 -12.598 7.220 -2.525 46 HG21 VAL 6 3HG2 VAL 6 -10.347 5.201 -2.903 47 HG22 VAL 6 1HG2 VAL 6 -11.858 4.936 -2.034 48 HG23 VAL 6 2HG2 VAL 6 -10.316 4.644 -1.229 49 H CYS 7 H CYS 7 -8.874 8.436 0.773 50 HA CYS 7 HA CYS 7 -7.491 6.283 2.199 51 HB2 CYS 7 2HB CYS 7 -8.074 9.176 2.941 52 HB3 CYS 7 1HB CYS 7 -7.020 8.070 3.822 53 HG CYS 7 HG CYS 7 -5.491 7.770 1.320 54 H GLY 8 H GLY 8 -8.325 6.261 4.650 55 HA2 GLY 8 2HA GLY 8 -10.257 4.572 4.926 56 HA3 GLY 8 1HA GLY 8 -10.100 5.867 6.082 57 H LEU 9 H LEU 9 -12.032 4.319 3.899 58 HA LEU 9 HA LEU 9 -14.180 6.183 4.258 59 HB2 LEU 9 2HB LEU 9 -12.938 6.840 2.186 60 HB3 LEU 9 1HB LEU 9 -13.204 5.229 1.564 61 HG LEU 9 HG LEU 9 -15.631 5.649 1.539 62 HD11 LEU 9 1HD1 LEU 9 -16.449 7.936 1.857 63 HD12 LEU 9 2HD1 LEU 9 -14.840 8.441 2.374 64 HD13 LEU 9 3HD1 LEU 9 -15.759 7.289 3.342 65 HD21 LEU 9 3HD2 LEU 9 -13.971 7.713 0.111 66 HD22 LEU 9 1HD2 LEU 9 -15.589 7.188 -0.345 67 HD23 LEU 9 2HD2 LEU 9 -14.235 6.056 -0.427 68 H THR 10 H THR 10 -16.018 4.980 4.375 69 HA THR 10 HA THR 10 -15.862 2.212 3.530 70 HB THR 10 HB THR 10 -15.139 1.989 5.799 71 HG1 THR 10 1HG THR 10 -17.726 1.179 5.248 72 HG21 THR 10 3HG2 THR 10 -15.838 4.120 6.698 73 HG22 THR 10 1HG2 THR 10 -16.437 2.826 7.734 74 HG23 THR 10 2HG2 THR 10 -17.532 3.633 6.610 75 H ARG 11 H ARG 11 -17.290 4.873 3.121 76 HA ARG 11 HA ARG 11 -20.059 4.069 3.377 77 HB2 ARG 11 2HB ARG 11 -18.811 6.492 2.073 78 HB3 ARG 11 1HB ARG 11 -20.524 6.286 2.373 79 HG2 ARG 11 2HG ARG 11 -20.083 6.330 4.779 80 HG3 ARG 11 1HG ARG 11 -18.363 6.544 4.442 81 HD2 ARG 11 2HD ARG 11 -19.330 8.698 4.911 82 HD3 ARG 11 1HD ARG 11 -18.922 8.621 3.196 83 HE ARG 11 HE ARG 11 -21.630 7.990 4.067 84 HH11 ARG 11 1HH1 ARG 11 -19.513 10.032 2.034 85 HH12 ARG 11 2HH1 ARG 11 -20.784 11.033 1.551 86 HH21 ARG 11 1HH2 ARG 11 -23.347 9.382 3.296 87 HH22 ARG 11 2HH2 ARG 11 -22.981 10.659 2.227 88 H GLY 12 H GLY 12 -20.748 2.681 1.905 89 HA2 GLY 12 2HA GLY 12 -19.659 1.565 -0.316 90 HA3 GLY 12 1HA GLY 12 -21.388 1.847 -0.058 91 H GLN 13 H GLN 13 -21.871 4.244 -0.413 92 HA GLN 13 HA GLN 13 -21.762 4.498 -3.241 93 HB2 GLN 13 2HB GLN 13 -23.134 6.054 -1.077 94 HB3 GLN 13 1HB GLN 13 -23.160 6.605 -2.739 95 HG2 GLN 13 2HG GLN 13 -25.201 5.397 -2.228 96 HG3 GLN 13 1HG GLN 13 -24.266 4.532 -3.427 97 HE21 GLN 13 1HE2 GLN 13 -23.552 4.381 0.061 98 HE22 GLN 13 2HE2 GLN 13 -24.055 2.751 0.234 99 H ASP 14 H ASP 14 -19.948 5.771 -0.695 100 HA ASP 14 HA ASP 14 -19.001 8.126 -2.137 101 HB2 ASP 14 2HB ASP 14 -19.362 7.791 0.448 102 HB3 ASP 14 1HB ASP 14 -17.804 7.012 0.413 103 H ALA 15 H ALA 15 -18.045 4.925 -1.138 104 HA ALA 15 HA ALA 15 -15.354 4.952 -1.982 105 HB1 ALA 15 1HB ALA 15 -17.248 2.631 -1.611 106 HB2 ALA 15 2HB ALA 15 -16.242 3.340 -0.362 107 HB3 ALA 15 3HB ALA 15 -15.492 2.521 -1.744 108 H LYS 16 H LYS 16 -18.318 3.711 -3.503 109 HA LYS 16 HA LYS 16 -17.001 2.849 -5.829 110 HB2 LYS 16 2HB LYS 16 -19.157 2.668 -6.912 111 HB3 LYS 16 1HB LYS 16 -19.175 1.945 -5.316 112 HG2 LYS 16 2HG LYS 16 -20.291 4.009 -4.486 113 HG3 LYS 16 1HG LYS 16 -20.363 4.592 -6.147 114 HD2 LYS 16 2HD LYS 16 -21.649 2.058 -5.103 115 HD3 LYS 16 1HD LYS 16 -22.488 3.562 -5.475 116 HE2 LYS 16 2HE LYS 16 -21.841 3.340 -7.832 117 HE3 LYS 16 1HE LYS 16 -20.974 1.853 -7.460 118 HZ1 LYS 16 3HZ LYS 16 -23.910 2.277 -7.239 119 HZ2 LYS 16 1HZ LYS 16 -23.105 0.854 -6.792 120 HZ3 LYS 16 2HZ LYS 16 -23.094 1.362 -8.387 121 H ALA 17 H ALA 17 -17.959 5.973 -4.877 122 HA ALA 17 HA ALA 17 -18.134 7.266 -7.350 123 HB1 ALA 17 1HB ALA 17 -18.692 8.329 -5.203 124 HB2 ALA 17 2HB ALA 17 -17.552 9.294 -6.141 125 HB3 ALA 17 3HB ALA 17 -16.980 8.338 -4.777 126 H ALA 18 H ALA 18 -15.365 6.179 -5.501 127 HA ALA 18 HA ALA 18 -13.425 7.569 -7.076 128 HB1 ALA 18 1HB ALA 18 -12.963 6.976 -4.776 129 HB2 ALA 18 2HB ALA 18 -11.814 6.138 -5.831 130 HB3 ALA 18 3HB ALA 18 -13.194 5.274 -5.147 131 H TYR 19 H TYR 19 -14.853 4.367 -7.019 132 HA TYR 19 HA TYR 19 -13.187 3.332 -9.070 133 HB2 TYR 19 2HB TYR 19 -13.975 1.560 -7.983 134 HB3 TYR 19 1HB TYR 19 -15.408 2.365 -7.407 135 HD1 TYR 19 1HD TYR 19 -13.834 0.354 -9.995 136 HD2 TYR 19 2HD TYR 19 -17.455 2.155 -8.772 137 HE1 TYR 19 1HE TYR 19 -15.041 -0.993 -11.665 138 HE2 TYR 19 2HE TYR 19 -18.704 0.817 -10.438 139 HH TYR 19 HH TYR 19 -17.344 -1.834 -12.044 140 H ASP 20 H ASP 20 -16.207 4.942 -8.898 141 HA ASP 20 HA ASP 20 -17.112 4.665 -11.557 142 HB2 ASP 20 2HB ASP 20 -18.527 5.403 -9.677 143 HB3 ASP 20 1HB ASP 20 -17.593 6.878 -9.543 144 H ALA 21 H ALA 21 -14.736 6.697 -10.082 145 HA ALA 21 HA ALA 21 -14.565 8.615 -12.186 146 HB1 ALA 21 1HB ALA 21 -12.564 9.407 -11.049 147 HB2 ALA 21 2HB ALA 21 -12.550 7.951 -10.053 148 HB3 ALA 21 3HB ALA 21 -13.861 9.117 -9.888 149 H GLY 22 H GLY 22 -13.117 5.451 -11.688 150 HA2 GLY 22 2HA GLY 22 -12.456 5.099 -14.323 151 HA3 GLY 22 1HA GLY 22 -11.046 5.871 -13.627 152 H ALA 23 H ALA 23 -12.437 4.052 -11.197 153 HA ALA 23 HA ALA 23 -11.897 2.137 -10.118 154 HB1 ALA 23 1HB ALA 23 -11.580 1.042 -12.914 155 HB2 ALA 23 2HB ALA 23 -13.099 1.149 -12.023 156 HB3 ALA 23 3HB ALA 23 -11.810 0.092 -11.446 157 H ILE 24 H ILE 24 -9.797 4.009 -10.889 158 HA ILE 24 HA ILE 24 -7.497 2.722 -11.816 159 HB ILE 24 HB ILE 24 -7.547 5.158 -10.046 160 HG12 ILE 24 2HG1 ILE 24 -7.936 5.055 -13.061 161 HG13 ILE 24 1HG1 ILE 24 -9.217 5.410 -11.904 162 HG21 ILE 24 1HG2 ILE 24 -5.539 5.786 -11.334 163 HG22 ILE 24 2HG2 ILE 24 -5.648 4.266 -12.221 164 HG23 ILE 24 3HG2 ILE 24 -5.330 4.252 -10.486 165 HD11 ILE 24 3HD1 ILE 24 -8.381 7.444 -12.928 166 HD12 ILE 24 1HD1 ILE 24 -6.745 7.066 -12.382 167 HD13 ILE 24 2HD1 ILE 24 -8.002 7.416 -11.203 168 H TYR 25 H TYR 25 -7.934 3.952 -8.543 169 HA TYR 25 HA TYR 25 -7.160 1.660 -7.065 170 HB2 TYR 25 2HB TYR 25 -4.866 1.613 -7.244 171 HB3 TYR 25 1HB TYR 25 -5.024 2.750 -8.557 172 HD1 TYR 25 2HD TYR 25 -4.643 5.131 -8.172 173 HD2 TYR 25 1HD TYR 25 -4.159 2.220 -5.164 174 HE1 TYR 25 2HE TYR 25 -3.418 6.752 -6.845 175 HE2 TYR 25 1HE TYR 25 -2.970 3.748 -3.796 176 HH TYR 25 HH TYR 25 -1.712 5.787 -3.950 177 H GLY 26 H GLY 26 -6.947 2.133 -4.851 178 HA2 GLY 26 2HA GLY 26 -7.834 4.845 -4.249 179 HA3 GLY 26 1HA GLY 26 -8.484 3.431 -3.394 180 H GLY 27 H GLY 27 -6.974 5.656 -2.170 181 HA2 GLY 27 2HA GLY 27 -4.405 4.330 -1.665 182 HA3 GLY 27 1HA GLY 27 -4.633 6.075 -1.600 183 H LEU 28 H LEU 28 -5.615 3.058 -0.134 184 HA LEU 28 HA LEU 28 -5.987 4.509 2.317 185 HB2 LEU 28 2HB LEU 28 -7.531 2.683 3.081 186 HB3 LEU 28 1HB LEU 28 -8.148 3.666 1.790 187 HG LEU 28 HG LEU 28 -8.863 1.363 1.565 188 HD11 LEU 28 1HD1 LEU 28 -6.949 2.115 -0.607 189 HD12 LEU 28 2HD1 LEU 28 -8.667 2.497 -0.503 190 HD13 LEU 28 3HD1 LEU 28 -8.137 0.828 -0.717 191 HD21 LEU 28 3HD2 LEU 28 -6.853 0.395 2.698 192 HD22 LEU 28 1HD2 LEU 28 -6.014 0.509 1.149 193 HD23 LEU 28 2HD2 LEU 28 -7.445 -0.525 1.295 194 H ILE 29 H ILE 29 -5.204 3.709 4.090 195 HA ILE 29 HA ILE 29 -3.086 1.676 3.713 196 HB ILE 29 HB ILE 29 -3.067 3.913 5.669 197 HG12 ILE 29 2HG1 ILE 29 -1.662 3.780 2.998 198 HG13 ILE 29 1HG1 ILE 29 -3.048 4.795 3.363 199 HG21 ILE 29 1HG2 ILE 29 -1.634 2.177 6.366 200 HG22 ILE 29 2HG2 ILE 29 -0.553 3.364 5.588 201 HG23 ILE 29 3HG2 ILE 29 -1.136 1.921 4.709 202 HD11 ILE 29 3HD1 ILE 29 -0.321 5.005 4.616 203 HD12 ILE 29 1HD1 ILE 29 -1.705 6.035 4.982 204 HD13 ILE 29 2HD1 ILE 29 -0.984 6.065 3.373 205 H PHE 30 H PHE 30 -2.553 0.296 5.682 206 HA PHE 30 HA PHE 30 -5.013 -0.483 7.025 207 HB2 PHE 30 2HB PHE 30 -2.275 -1.663 7.513 208 HB3 PHE 30 1HB PHE 30 -3.833 -2.394 7.832 209 HD1 PHE 30 2HD PHE 30 -5.169 -3.318 5.948 210 HD2 PHE 30 1HD PHE 30 -1.276 -1.716 5.457 211 HE1 PHE 30 2HE PHE 30 -4.979 -4.438 3.741 212 HE2 PHE 30 1HE PHE 30 -1.060 -2.783 3.321 213 HZ PHE 30 HZ PHE 30 -2.906 -4.156 2.426 214 H VAL 31 H VAL 31 -4.585 1.933 8.010 215 HA VAL 31 HA VAL 31 -3.011 1.678 10.434 216 HB VAL 31 HB VAL 31 -4.875 3.964 9.669 217 HG11 VAL 31 1HG1 VAL 31 -3.750 5.209 11.450 218 HG12 VAL 31 2HG1 VAL 31 -2.759 3.789 11.806 219 HG13 VAL 31 3HG1 VAL 31 -4.497 3.731 12.080 220 HG21 VAL 31 3HG2 VAL 31 -2.824 5.192 9.119 221 HG22 VAL 31 1HG2 VAL 31 -2.999 3.754 8.113 222 HG23 VAL 31 2HG2 VAL 31 -1.868 3.751 9.468 223 H ALA 32 H ALA 32 -3.704 0.881 12.200 224 HA ALA 32 HA ALA 32 -5.819 -0.773 12.384 225 HB1 ALA 32 1HB ALA 32 -4.511 0.594 14.719 226 HB2 ALA 32 2HB ALA 32 -3.877 -0.817 13.870 227 HB3 ALA 32 3HB ALA 32 -5.401 -0.928 14.751 228 H THR 33 H THR 33 -7.709 -0.049 11.770 229 HA THR 33 HA THR 33 -9.795 0.664 11.910 230 HB THR 33 HB THR 33 -10.839 0.780 14.179 231 HG1 THR 33 1HG THR 33 -8.297 1.208 14.934 232 HG21 THR 33 3HG2 THR 33 -10.587 -1.310 12.975 233 HG22 THR 33 1HG2 THR 33 -10.353 -1.574 14.708 234 HG23 THR 33 2HG2 THR 33 -8.958 -1.482 13.630 235 H SER 34 H SER 34 -7.743 2.764 11.617 236 HA SER 34 HA SER 34 -9.149 5.025 12.845 237 HB2 SER 34 2HB SER 34 -6.476 4.906 11.450 238 HB3 SER 34 1HB SER 34 -7.137 6.278 12.339 239 HG SER 34 HG SER 34 -6.912 3.821 13.666 240 HA PRO 35 HA PRO 35 -11.203 5.042 8.905 241 HB2 PRO 35 2HB PRO 35 -12.692 7.321 9.371 242 HB3 PRO 35 1HB PRO 35 -13.144 5.694 9.884 243 HG2 PRO 35 2HG PRO 35 -11.835 7.876 11.426 244 HG3 PRO 35 1HG PRO 35 -13.096 6.745 11.949 245 HD2 PRO 35 2HD PRO 35 -10.534 6.447 12.670 246 HD3 PRO 35 1HD PRO 35 -11.571 5.045 12.343 247 H ARG 36 H ARG 36 -8.884 7.198 9.865 248 HA ARG 36 HA ARG 36 -8.909 8.913 7.558 249 HB2 ARG 36 2HB ARG 36 -6.527 9.369 8.130 250 HB3 ARG 36 1HB ARG 36 -7.590 9.586 9.504 251 HG2 ARG 36 2HG ARG 36 -6.902 7.413 10.391 252 HG3 ARG 36 1HG ARG 36 -5.862 7.169 8.988 253 HD2 ARG 36 2HD ARG 36 -5.602 9.452 10.943 254 HD3 ARG 36 1HD ARG 36 -4.661 7.969 11.014 255 HE ARG 36 HE ARG 36 -3.685 8.552 8.897 256 HH11 ARG 36 1HH1 ARG 36 -5.438 11.218 10.491 257 HH12 ARG 36 2HH1 ARG 36 -4.500 12.429 9.771 258 HH21 ARG 36 1HH2 ARG 36 -2.384 10.263 7.932 259 HH22 ARG 36 2HH2 ARG 36 -2.737 11.884 8.316 260 H CYS 37 H CYS 37 -8.126 5.664 8.187 261 HA CYS 37 HA CYS 37 -7.267 5.232 5.467 262 HB2 CYS 37 2HB CYS 37 -5.790 4.331 7.942 263 HB3 CYS 37 1HB CYS 37 -5.448 3.750 6.318 264 HG CYS 37 HG CYS 37 -5.367 6.992 6.196 265 H VAL 38 H VAL 38 -7.238 2.519 5.291 266 HA VAL 38 HA VAL 38 -9.319 1.574 7.040 267 HB VAL 38 HB VAL 38 -9.763 2.310 4.224 268 HG11 VAL 38 1HG1 VAL 38 -10.567 -0.475 5.044 269 HG12 VAL 38 2HG1 VAL 38 -9.406 -0.054 3.784 270 HG13 VAL 38 3HG1 VAL 38 -11.107 0.372 3.594 271 HG21 VAL 38 3HG2 VAL 38 -12.098 2.153 4.887 272 HG22 VAL 38 1HG2 VAL 38 -11.160 3.042 6.089 273 HG23 VAL 38 2HG2 VAL 38 -11.632 1.366 6.391 274 H ASN 39 H ASN 39 -9.185 -0.439 7.500 275 HA ASN 39 HA ASN 39 -6.926 -1.939 6.403 276 HB2 ASN 39 2HB ASN 39 -7.276 -3.362 8.484 277 HB3 ASN 39 1HB ASN 39 -6.486 -1.813 8.705 278 HD21 ASN 39 1HD2 ASN 39 -9.075 -3.789 9.504 279 HD22 ASN 39 2HD2 ASN 39 -9.918 -2.668 10.516 280 H VAL 40 H VAL 40 -7.208 -4.338 6.533 281 HA VAL 40 HA VAL 40 -8.866 -4.879 4.409 282 HB VAL 40 HB VAL 40 -6.946 -6.279 4.858 283 HG11 VAL 40 1HG1 VAL 40 -6.993 -6.270 7.261 284 HG12 VAL 40 2HG1 VAL 40 -6.872 -7.916 6.637 285 HG13 VAL 40 3HG1 VAL 40 -8.413 -7.318 7.266 286 HG21 VAL 40 3HG2 VAL 40 -7.838 -8.448 4.393 287 HG22 VAL 40 1HG2 VAL 40 -8.876 -7.262 3.606 288 HG23 VAL 40 2HG2 VAL 40 -9.389 -8.015 5.109 289 H GLU 41 H GLU 41 -9.653 -5.010 7.780 290 HA GLU 41 HA GLU 41 -11.921 -6.561 7.589 291 HB2 GLU 41 2HB GLU 41 -10.994 -4.483 9.469 292 HB3 GLU 41 1HB GLU 41 -12.450 -5.445 9.757 293 HG2 GLU 41 2HG GLU 41 -11.012 -6.776 10.850 294 HG3 GLU 41 1HG GLU 41 -10.677 -7.377 9.251 295 H GLN 42 H GLN 42 -11.597 -2.935 7.627 296 HA GLN 42 HA GLN 42 -14.349 -2.563 7.011 297 HB2 GLN 42 2HB GLN 42 -11.939 -0.782 6.792 298 HB3 GLN 42 1HB GLN 42 -13.588 -0.249 6.479 299 HG2 GLN 42 2HG GLN 42 -14.190 -0.381 8.668 300 HG3 GLN 42 1HG GLN 42 -12.943 -1.587 9.044 301 HE21 GLN 42 1HE2 GLN 42 -10.970 -0.930 9.409 302 HE22 GLN 42 2HE2 GLN 42 -10.560 0.703 9.704 303 H ALA 43 H ALA 43 -11.372 -2.714 5.159 304 HA ALA 43 HA ALA 43 -12.387 -1.910 2.681 305 HB1 ALA 43 1HB ALA 43 -9.991 -2.026 3.226 306 HB2 ALA 43 2HB ALA 43 -10.385 -2.843 1.716 307 HB3 ALA 43 3HB ALA 43 -10.092 -3.784 3.175 308 H GLN 44 H GLN 44 -12.683 -4.884 4.362 309 HA GLN 44 HA GLN 44 -13.214 -6.761 2.419 310 HB2 GLN 44 2HB GLN 44 -13.159 -6.867 5.008 311 HB3 GLN 44 1HB GLN 44 -14.888 -6.517 4.908 312 HG2 GLN 44 2HG GLN 44 -15.023 -8.749 4.898 313 HG3 GLN 44 1HG GLN 44 -14.640 -8.576 3.186 314 HE21 GLN 44 1HE2 GLN 44 -11.813 -7.684 3.894 315 HE22 GLN 44 2HE2 GLN 44 -11.051 -9.129 4.382 316 H GLU 45 H GLU 45 -15.224 -4.237 3.781 317 HA GLU 45 HA GLU 45 -17.655 -4.953 2.394 318 HB2 GLU 45 2HB GLU 45 -16.834 -2.519 3.945 319 HB3 GLU 45 1HB GLU 45 -18.446 -2.819 3.341 320 HG2 GLU 45 2HG GLU 45 -17.048 -4.646 5.286 321 HG3 GLU 45 1HG GLU 45 -18.199 -3.390 5.744 322 H VAL 46 H VAL 46 -15.163 -2.564 2.266 323 HA VAL 46 HA VAL 46 -16.334 -0.872 0.361 324 HB VAL 46 HB VAL 46 -13.372 -1.097 0.959 325 HG11 VAL 46 1HG1 VAL 46 -13.356 1.269 0.486 326 HG12 VAL 46 2HG1 VAL 46 -15.099 1.197 0.179 327 HG13 VAL 46 3HG1 VAL 46 -13.979 0.345 -0.899 328 HG21 VAL 46 3HG2 VAL 46 -13.742 0.562 2.743 329 HG22 VAL 46 1HG2 VAL 46 -14.555 -0.968 3.078 330 HG23 VAL 46 2HG2 VAL 46 -15.480 0.411 2.491 331 H MET 47 H MET 47 -14.053 -3.560 0.073 332 HA MET 47 HA MET 47 -13.384 -3.262 -2.643 333 HB2 MET 47 2HB MET 47 -12.542 -5.532 -2.591 334 HB3 MET 47 1HB MET 47 -12.166 -4.757 -1.062 335 HG2 MET 47 2HG MET 47 -14.045 -5.924 -0.007 336 HG3 MET 47 1HG MET 47 -14.414 -6.701 -1.543 337 HE1 MET 47 3HE MET 47 -14.341 -9.094 -0.347 338 HE2 MET 47 1HE MET 47 -14.000 -8.281 1.177 339 HE3 MET 47 2HE MET 47 -12.998 -9.636 0.662 340 H ALA 48 H ALA 48 -16.243 -4.460 -1.172 341 HA ALA 48 HA ALA 48 -17.140 -5.860 -3.529 342 HB1 ALA 48 1HB ALA 48 -19.171 -6.256 -2.241 343 HB2 ALA 48 2HB ALA 48 -18.597 -5.165 -0.979 344 HB3 ALA 48 3HB ALA 48 -17.742 -6.675 -1.298 345 H ALA 49 H ALA 49 -17.328 -2.701 -2.151 346 HA ALA 49 HA ALA 49 -19.640 -1.934 -3.697 347 HB1 ALA 49 1HB ALA 49 -19.382 0.240 -2.626 348 HB2 ALA 49 2HB ALA 49 -17.845 -0.272 -1.931 349 HB3 ALA 49 3HB ALA 49 -19.343 -1.051 -1.424 350 H ALA 50 H ALA 50 -16.045 -1.284 -3.724 351 HA ALA 50 HA ALA 50 -16.443 -0.168 -6.322 352 HB1 ALA 50 1HB ALA 50 -14.709 1.425 -5.733 353 HB2 ALA 50 2HB ALA 50 -14.606 0.730 -4.125 354 HB3 ALA 50 3HB ALA 50 -16.071 1.572 -4.615 355 HA PRO 51 HA PRO 51 -13.438 -3.602 -6.528 356 HB2 PRO 51 2HB PRO 51 -13.873 -4.197 -9.146 357 HB3 PRO 51 1HB PRO 51 -14.909 -4.773 -7.834 358 HG2 PRO 51 2HG PRO 51 -15.347 -2.502 -9.718 359 HG3 PRO 51 1HG PRO 51 -16.499 -3.707 -9.124 360 HD2 PRO 51 2HD PRO 51 -16.311 -1.176 -8.139 361 HD3 PRO 51 1HD PRO 51 -16.892 -2.556 -7.188 362 H LEU 52 H LEU 52 -12.547 -1.093 -6.451 363 HA LEU 52 HA LEU 52 -10.860 -0.622 -8.790 364 HB2 LEU 52 2HB LEU 52 -10.054 1.297 -7.242 365 HB3 LEU 52 1HB LEU 52 -11.538 1.588 -8.078 366 HG LEU 52 HG LEU 52 -12.476 0.528 -5.778 367 HD11 LEU 52 1HD1 LEU 52 -11.243 1.290 -3.870 368 HD12 LEU 52 2HD1 LEU 52 -9.895 1.775 -4.913 369 HD13 LEU 52 3HD1 LEU 52 -10.370 0.075 -4.797 370 HD21 LEU 52 3HD2 LEU 52 -12.731 2.770 -4.861 371 HD22 LEU 52 1HD2 LEU 52 -13.214 2.651 -6.544 372 HD23 LEU 52 2HD2 LEU 52 -11.663 3.405 -6.125 373 H GLN 53 H GLN 53 -8.484 -0.008 -8.095 374 HA GLN 53 HA GLN 53 -7.326 -2.309 -6.892 375 HB2 GLN 53 2HB GLN 53 -6.389 0.202 -8.063 376 HB3 GLN 53 1HB GLN 53 -5.346 -0.505 -6.841 377 HG2 GLN 53 2HG GLN 53 -5.227 -2.527 -8.196 378 HG3 GLN 53 1HG GLN 53 -6.262 -1.752 -9.407 379 HE21 GLN 53 1HE2 GLN 53 -3.248 -1.354 -7.635 380 HE22 GLN 53 2HE2 GLN 53 -2.470 -0.419 -8.858 381 H TYR 54 H TYR 54 -6.948 -2.667 -4.814 382 HA TYR 54 HA TYR 54 -6.980 -0.411 -2.977 383 HB2 TYR 54 2HB TYR 54 -7.398 -3.382 -2.458 384 HB3 TYR 54 1HB TYR 54 -7.145 -2.183 -1.180 385 HD1 TYR 54 2HD TYR 54 -9.372 -2.951 -4.051 386 HD2 TYR 54 1HD TYR 54 -8.908 -0.947 -0.346 387 HE1 TYR 54 2HE TYR 54 -11.707 -2.255 -4.148 388 HE2 TYR 54 1HE TYR 54 -11.247 -0.225 -0.443 389 HH TYR 54 HH TYR 54 -13.425 -1.371 -2.890 390 H VAL 55 H VAL 55 -5.291 -0.046 -1.569 391 HA VAL 55 HA VAL 55 -2.882 -1.449 -2.365 392 HB VAL 55 HB VAL 55 -3.206 0.869 -3.454 393 HG11 VAL 55 1HG1 VAL 55 -4.116 2.103 -1.645 394 HG12 VAL 55 2HG1 VAL 55 -2.548 2.807 -2.072 395 HG13 VAL 55 3HG1 VAL 55 -2.701 1.785 -0.644 396 HG21 VAL 55 3HG2 VAL 55 -0.753 0.444 -1.775 397 HG22 VAL 55 1HG2 VAL 55 -0.866 1.474 -3.198 398 HG23 VAL 55 2HG2 VAL 55 -1.061 -0.279 -3.346 399 H GLY 56 H GLY 56 -1.353 -1.389 -0.700 400 HA2 GLY 56 2HA GLY 56 -2.315 -0.349 1.949 401 HA3 GLY 56 1HA GLY 56 -1.687 -2.010 1.696 402 H VAL 57 H VAL 57 -1.040 0.668 3.052 403 HA VAL 57 HA VAL 57 1.819 0.467 2.400 404 HB VAL 57 HB VAL 57 0.401 2.809 3.753 405 HG11 VAL 57 1HG1 VAL 57 3.197 2.610 2.670 406 HG12 VAL 57 2HG1 VAL 57 2.723 2.613 4.365 407 HG13 VAL 57 3HG1 VAL 57 2.461 4.051 3.375 408 HG21 VAL 57 3HG2 VAL 57 0.668 4.098 1.697 409 HG22 VAL 57 1HG2 VAL 57 -0.356 2.692 1.427 410 HG23 VAL 57 2HG2 VAL 57 1.317 2.687 0.872 411 H PHE 58 H PHE 58 3.085 -0.002 4.246 412 HA PHE 58 HA PHE 58 1.988 0.240 6.891 413 HB2 PHE 58 2HB PHE 58 0.725 -1.743 5.844 414 HB3 PHE 58 1HB PHE 58 2.254 -2.594 5.856 415 HD1 PHE 58 2HD PHE 58 0.017 -0.717 8.165 416 HD2 PHE 58 1HD PHE 58 2.671 -3.991 7.636 417 HE1 PHE 58 2HE PHE 58 -0.501 -1.498 10.437 418 HE2 PHE 58 1HE PHE 58 2.156 -4.784 9.906 419 HZ PHE 58 HZ PHE 58 0.569 -3.535 11.309 420 H ARG 59 H ARG 59 3.591 -0.336 8.471 421 HA ARG 59 HA ARG 59 6.207 -0.858 7.340 422 HB2 ARG 59 2HB ARG 59 5.371 -0.736 10.259 423 HB3 ARG 59 1HB ARG 59 7.018 -0.862 9.682 424 HG2 ARG 59 2HG ARG 59 6.719 1.379 8.611 425 HG3 ARG 59 1HG ARG 59 5.162 1.488 9.440 426 HD2 ARG 59 2HD ARG 59 7.880 1.194 10.714 427 HD3 ARG 59 1HD ARG 59 6.838 2.614 10.768 428 HE ARG 59 HE ARG 59 5.288 0.695 11.824 429 HH11 ARG 59 1HH1 ARG 59 8.564 1.765 12.588 430 HH12 ARG 59 2HH1 ARG 59 8.495 1.342 14.236 431 HH21 ARG 59 1HH2 ARG 59 5.181 0.068 14.088 432 HH22 ARG 59 2HH2 ARG 59 6.524 0.355 15.102 433 H ASN 60 H ASN 60 6.106 -2.817 6.501 434 HA ASN 60 HA ASN 60 4.709 -4.870 7.893 435 HB2 ASN 60 2HB ASN 60 5.945 -4.775 5.143 436 HB3 ASN 60 1HB ASN 60 5.167 -6.188 5.836 437 HD21 ASN 60 1HD2 ASN 60 4.688 -3.081 4.356 438 HD22 ASN 60 2HD2 ASN 60 2.974 -3.232 4.208 439 H HIS 61 H HIS 61 5.690 -5.905 9.050 440 HA HIS 61 HA HIS 61 8.623 -6.050 9.139 441 HB2 HIS 61 2HB HIS 61 6.702 -7.383 11.058 442 HB3 HIS 61 1HB HIS 61 8.390 -6.986 11.333 443 HD1 HIS 61 1HD HIS 61 5.055 -5.787 12.048 444 HD2 HIS 61 2HD HIS 61 8.773 -4.062 11.420 445 HE1 HIS 61 1HE HIS 61 4.899 -3.447 12.975 446 H ASP 62 H ASP 62 5.895 -8.260 9.369 447 HA ASP 62 HA ASP 62 7.579 -10.483 8.438 448 HB2 ASP 62 2HB ASP 62 6.207 -10.791 10.504 449 HB3 ASP 62 1HB ASP 62 4.771 -10.537 9.519 450 H ILE 63 H ILE 63 7.556 -11.165 6.547 451 HA ILE 63 HA ILE 63 6.035 -9.898 4.549 452 HB ILE 63 HB ILE 63 8.247 -10.729 4.037 453 HG12 ILE 63 2HG1 ILE 63 6.300 -12.426 2.512 454 HG13 ILE 63 1HG1 ILE 63 6.426 -10.689 2.292 455 HG21 ILE 63 1HG2 ILE 63 8.734 -13.134 3.880 456 HG22 ILE 63 2HG2 ILE 63 7.148 -13.478 4.587 457 HG23 ILE 63 3HG2 ILE 63 8.365 -12.616 5.526 458 HD11 ILE 63 3HD1 ILE 63 8.632 -12.694 1.872 459 HD12 ILE 63 1HD1 ILE 63 8.756 -10.960 1.608 460 HD13 ILE 63 2HD1 ILE 63 7.692 -11.928 0.594 461 H ALA 64 H ALA 64 5.423 -12.702 6.414 462 HA ALA 64 HA ALA 64 3.540 -13.767 4.498 463 HB1 ALA 64 1HB ALA 64 4.729 -15.291 6.011 464 HB2 ALA 64 2HB ALA 64 2.981 -15.428 6.208 465 HB3 ALA 64 3HB ALA 64 3.937 -14.535 7.393 466 H ASP 65 H ASP 65 3.553 -11.449 6.887 467 HA ASP 65 HA ASP 65 0.701 -11.481 7.437 468 HB2 ASP 65 2HB ASP 65 2.213 -10.707 9.197 469 HB3 ASP 65 1HB ASP 65 2.845 -9.461 8.134 470 H VAL 66 H VAL 66 2.921 -10.029 5.313 471 HA VAL 66 HA VAL 66 1.195 -8.017 4.228 472 HB VAL 66 HB VAL 66 3.490 -9.352 2.789 473 HG11 VAL 66 1HG1 VAL 66 3.721 -7.197 1.665 474 HG12 VAL 66 2HG1 VAL 66 2.391 -6.561 2.629 475 HG13 VAL 66 3HG1 VAL 66 2.089 -7.853 1.471 476 HG21 VAL 66 3HG2 VAL 66 4.301 -8.709 4.989 477 HG22 VAL 66 1HG2 VAL 66 3.663 -7.085 4.746 478 HG23 VAL 66 2HG2 VAL 66 4.990 -7.665 3.741 479 H VAL 67 H VAL 67 2.238 -11.266 3.422 480 HA VAL 67 HA VAL 67 0.805 -11.605 0.995 481 HB VAL 67 HB VAL 67 1.537 -13.779 3.004 482 HG11 VAL 67 1HG1 VAL 67 0.853 -14.016 0.070 483 HG12 VAL 67 2HG1 VAL 67 -0.158 -14.536 1.416 484 HG13 VAL 67 3HG1 VAL 67 1.384 -15.335 1.114 485 HG21 VAL 67 3HG2 VAL 67 3.505 -14.176 1.615 486 HG22 VAL 67 1HG2 VAL 67 3.497 -12.526 2.224 487 HG23 VAL 67 2HG2 VAL 67 3.044 -12.857 0.551 488 H ASP 68 H ASP 68 -0.026 -12.096 4.307 489 HA ASP 68 HA ASP 68 -2.502 -13.307 4.168 490 HB2 ASP 68 2HB ASP 68 -1.451 -13.074 6.274 491 HB3 ASP 68 1HB ASP 68 -1.305 -11.336 6.091 492 H LYS 69 H LYS 69 -1.866 -9.812 4.371 493 HA LYS 69 HA LYS 69 -4.599 -9.036 4.026 494 HB2 LYS 69 2HB LYS 69 -2.166 -7.394 3.313 495 HB3 LYS 69 1HB LYS 69 -3.759 -6.780 3.725 496 HG2 LYS 69 2HG LYS 69 -1.793 -8.113 5.583 497 HG3 LYS 69 1HG LYS 69 -2.196 -6.395 5.503 498 HD2 LYS 69 2HD LYS 69 -4.408 -6.813 6.288 499 HD3 LYS 69 1HD LYS 69 -4.167 -8.561 6.174 500 HE2 LYS 69 2HE LYS 69 -2.650 -6.690 7.995 501 HE3 LYS 69 1HE LYS 69 -3.945 -7.780 8.486 502 HZ1 LYS 69 3HZ LYS 69 -2.601 -9.650 7.732 503 HZ2 LYS 69 1HZ LYS 69 -1.758 -8.804 8.924 504 HZ3 LYS 69 2HZ LYS 69 -1.329 -8.630 7.323 505 H ALA 70 H ALA 70 -1.863 -9.396 1.872 506 HA ALA 70 HA ALA 70 -2.975 -8.314 -0.449 507 HB1 ALA 70 1HB ALA 70 -1.172 -9.421 -1.630 508 HB2 ALA 70 2HB ALA 70 -0.865 -10.448 -0.229 509 HB3 ALA 70 3HB ALA 70 -0.577 -8.711 -0.128 510 H LYS 71 H LYS 71 -3.269 -11.474 0.966 511 HA LYS 71 HA LYS 71 -4.557 -12.569 -1.362 512 HB2 LYS 71 2HB LYS 71 -3.234 -14.005 0.082 513 HB3 LYS 71 1HB LYS 71 -4.295 -13.631 1.434 514 HG2 LYS 71 2HG LYS 71 -6.168 -14.641 0.216 515 HG3 LYS 71 1HG LYS 71 -5.071 -15.072 -1.088 516 HD2 LYS 71 2HD LYS 71 -5.305 -17.018 0.287 517 HD3 LYS 71 1HD LYS 71 -3.713 -16.302 0.567 518 HE2 LYS 71 2HE LYS 71 -4.528 -15.246 2.616 519 HE3 LYS 71 1HE LYS 71 -6.118 -15.958 2.343 520 HZ1 LYS 71 3HZ LYS 71 -3.606 -17.467 2.745 521 HZ2 LYS 71 1HZ LYS 71 -5.136 -18.146 2.554 522 HZ3 LYS 71 2HZ LYS 71 -4.782 -17.227 3.929 523 H VAL 72 H VAL 72 -5.567 -11.969 1.987 524 HA VAL 72 HA VAL 72 -8.254 -12.578 1.775 525 HB VAL 72 HB VAL 72 -7.100 -10.394 3.538 526 HG11 VAL 72 1HG1 VAL 72 -8.961 -10.863 5.032 527 HG12 VAL 72 2HG1 VAL 72 -9.625 -12.015 3.865 528 HG13 VAL 72 3HG1 VAL 72 -9.514 -10.296 3.458 529 HG21 VAL 72 3HG2 VAL 72 -7.387 -13.358 4.059 530 HG22 VAL 72 1HG2 VAL 72 -6.951 -12.142 5.268 531 HG23 VAL 72 2HG2 VAL 72 -5.890 -12.426 3.898 532 H LEU 73 H LEU 73 -6.989 -9.203 1.655 533 HA LEU 73 HA LEU 73 -9.451 -8.221 0.638 534 HB2 LEU 73 2HB LEU 73 -7.854 -6.941 2.086 535 HB3 LEU 73 1HB LEU 73 -6.739 -6.942 0.756 536 HG LEU 73 HG LEU 73 -8.195 -5.535 -0.568 537 HD11 LEU 73 1HD1 LEU 73 -10.333 -6.408 0.174 538 HD12 LEU 73 2HD1 LEU 73 -10.273 -4.656 0.377 539 HD13 LEU 73 3HD1 LEU 73 -10.074 -5.720 1.775 540 HD21 LEU 73 3HD2 LEU 73 -7.923 -4.518 2.250 541 HD22 LEU 73 1HD2 LEU 73 -8.113 -3.530 0.801 542 HD23 LEU 73 2HD2 LEU 73 -6.653 -4.506 1.029 543 H SER 74 H SER 74 -6.670 -9.623 -0.705 544 HA SER 74 HA SER 74 -5.719 -9.783 -2.708 545 HB2 SER 74 2HB SER 74 -8.526 -9.255 -3.751 546 HB3 SER 74 1HB SER 74 -7.197 -9.924 -4.700 547 HG SER 74 HG SER 74 -7.487 -11.317 -2.425 548 H LEU 75 H LEU 75 -4.543 -7.933 -2.102 549 HA LEU 75 HA LEU 75 -5.206 -5.327 -2.954 550 HB2 LEU 75 2HB LEU 75 -2.610 -6.568 -2.103 551 HB3 LEU 75 1HB LEU 75 -2.865 -4.864 -2.386 552 HG LEU 75 HG LEU 75 -4.455 -6.393 -0.358 553 HD11 LEU 75 1HD1 LEU 75 -1.967 -4.747 0.091 554 HD12 LEU 75 2HD1 LEU 75 -2.032 -6.508 0.017 555 HD13 LEU 75 3HD1 LEU 75 -2.911 -5.669 1.290 556 HD21 LEU 75 3HD2 LEU 75 -5.421 -4.305 -1.142 557 HD22 LEU 75 1HD2 LEU 75 -3.899 -3.473 -0.854 558 HD23 LEU 75 2HD2 LEU 75 -4.802 -4.105 0.510 559 H ALA 76 H ALA 76 -3.253 -4.219 -4.119 560 HA ALA 76 HA ALA 76 -2.775 -5.704 -6.578 561 HB1 ALA 76 1HB ALA 76 -4.612 -4.183 -6.972 562 HB2 ALA 76 2HB ALA 76 -3.170 -3.639 -7.830 563 HB3 ALA 76 3HB ALA 76 -3.665 -2.841 -6.333 564 H ALA 77 H ALA 77 -2.017 -2.884 -4.602 565 HA ALA 77 HA ALA 77 0.762 -3.663 -4.920 566 HB1 ALA 77 1HB ALA 77 0.360 -1.766 -6.371 567 HB2 ALA 77 2HB ALA 77 1.444 -1.343 -5.060 568 HB3 ALA 77 3HB ALA 77 -0.238 -0.825 -5.016 569 H VAL 78 H VAL 78 2.093 -2.996 -3.232 570 HA VAL 78 HA VAL 78 0.846 -2.018 -0.765 571 HB VAL 78 HB VAL 78 0.791 -4.436 -0.533 572 HG11 VAL 78 1HG1 VAL 78 3.707 -4.230 -1.212 573 HG12 VAL 78 2HG1 VAL 78 2.473 -5.128 -2.092 574 HG13 VAL 78 3HG1 VAL 78 3.022 -5.701 -0.503 575 HG21 VAL 78 3HG2 VAL 78 1.305 -3.190 1.504 576 HG22 VAL 78 1HG2 VAL 78 3.026 -3.258 1.123 577 HG23 VAL 78 2HG2 VAL 78 2.152 -4.740 1.514 578 H GLN 79 H GLN 79 2.307 -0.724 0.525 579 HA GLN 79 HA GLN 79 4.741 -0.162 -0.858 580 HB2 GLN 79 2HB GLN 79 2.845 1.381 0.800 581 HB3 GLN 79 1HB GLN 79 4.520 1.868 0.739 582 HG2 GLN 79 2HG GLN 79 3.365 3.145 -0.863 583 HG3 GLN 79 1HG GLN 79 4.313 1.955 -1.741 584 HE21 GLN 79 1HE2 GLN 79 3.168 0.126 -2.689 585 HE22 GLN 79 2HE2 GLN 79 1.494 0.302 -3.050 586 H LEU 80 H LEU 80 6.526 -0.625 -0.006 587 HA LEU 80 HA LEU 80 6.530 -1.568 2.747 588 HB2 LEU 80 2HB LEU 80 8.217 -2.288 0.384 589 HB3 LEU 80 1HB LEU 80 8.826 -2.539 2.005 590 HG LEU 80 HG LEU 80 7.955 -4.602 1.148 591 HD11 LEU 80 1HD1 LEU 80 7.666 -4.143 3.502 592 HD12 LEU 80 2HD1 LEU 80 6.417 -5.205 2.862 593 HD13 LEU 80 3HD1 LEU 80 6.050 -3.512 3.184 594 HD21 LEU 80 3HD2 LEU 80 5.543 -4.884 0.632 595 HD22 LEU 80 1HD2 LEU 80 6.390 -3.840 -0.511 596 HD23 LEU 80 2HD2 LEU 80 5.360 -3.132 0.728 597 H HIS 81 H HIS 81 7.754 -0.738 4.224 598 HA HIS 81 HA HIS 81 9.256 1.638 3.589 599 HB2 HIS 81 2HB HIS 81 8.501 0.331 6.220 600 HB3 HIS 81 1HB HIS 81 9.566 1.730 6.117 601 HD1 HIS 81 1HD HIS 81 5.919 0.763 5.845 602 HD2 HIS 81 2HD HIS 81 8.329 4.130 5.439 603 HE1 HIS 81 1HE HIS 81 4.377 2.734 5.793 604 H GLY 82 H GLY 82 11.031 1.132 2.667 605 HA2 GLY 82 2HA GLY 82 12.485 -1.245 2.934 606 HA3 GLY 82 1HA GLY 82 13.093 0.223 2.181 607 H ASN 83 H ASN 83 12.503 1.343 5.026 608 HA ASN 83 HA ASN 83 15.101 1.273 6.072 609 HB2 ASN 83 2HB ASN 83 13.388 2.960 6.714 610 HB3 ASN 83 1HB ASN 83 12.510 1.713 7.589 611 HD21 ASN 83 1HD2 ASN 83 15.348 3.746 7.570 612 HD22 ASN 83 2HD2 ASN 83 15.752 3.495 9.220 613 H GLU 84 H GLU 84 12.483 -0.993 6.340 614 HA GLU 84 HA GLU 84 13.221 -2.450 8.627 615 HB2 GLU 84 2HB GLU 84 11.073 -2.494 7.207 616 HB3 GLU 84 1HB GLU 84 11.946 -3.574 6.137 617 HG2 GLU 84 2HG GLU 84 10.504 -4.790 7.672 618 HG3 GLU 84 1HG GLU 84 12.201 -5.186 7.933 619 H GLU 85 H GLU 85 13.955 -2.893 5.171 620 HA GLU 85 HA GLU 85 16.620 -3.507 5.382 621 HB2 GLU 85 2HB GLU 85 15.838 -5.647 6.424 622 HB3 GLU 85 1HB GLU 85 14.871 -5.957 4.996 623 HG2 GLU 85 2HG GLU 85 16.914 -6.079 3.656 624 HG3 GLU 85 1HG GLU 85 17.870 -5.787 5.104 625 H GLN 86 H GLN 86 17.516 -3.701 3.158 626 HA GLN 86 HA GLN 86 15.792 -2.500 1.264 627 HB2 GLN 86 2HB GLN 86 18.619 -3.543 1.094 628 HB3 GLN 86 1HB GLN 86 17.803 -2.572 -0.104 629 HG2 GLN 86 2HG GLN 86 17.705 -0.686 1.399 630 HG3 GLN 86 1HG GLN 86 18.355 -1.662 2.719 631 HE21 GLN 86 1HE2 GLN 86 20.535 -2.159 2.695 632 HE22 GLN 86 2HE2 GLN 86 21.653 -1.324 1.703 633 H LEU 87 H LEU 87 17.422 -5.438 1.733 634 HA LEU 87 HA LEU 87 16.693 -6.738 -0.673 635 HB2 LEU 87 2HB LEU 87 17.774 -7.853 1.889 636 HB3 LEU 87 1HB LEU 87 17.699 -8.705 0.350 637 HG LEU 87 HG LEU 87 19.151 -6.122 0.700 638 HD11 LEU 87 1HD1 LEU 87 20.140 -7.724 2.185 639 HD12 LEU 87 2HD1 LEU 87 21.214 -7.441 0.811 640 HD13 LEU 87 3HD1 LEU 87 20.250 -8.923 0.891 641 HD21 LEU 87 3HD2 LEU 87 19.265 -8.248 -1.431 642 HD22 LEU 87 1HD2 LEU 87 20.331 -6.842 -1.344 643 HD23 LEU 87 2HD2 LEU 87 18.603 -6.614 -1.574 644 H TYR 88 H TYR 88 15.126 -6.187 2.224 645 HA TYR 88 HA TYR 88 13.435 -8.415 2.358 646 HB2 TYR 88 2HB TYR 88 13.606 -7.072 4.253 647 HB3 TYR 88 1HB TYR 88 13.180 -5.589 3.382 648 HD1 TYR 88 2HD TYR 88 11.746 -8.976 3.926 649 HD2 TYR 88 1HD TYR 88 11.143 -4.790 3.980 650 HE1 TYR 88 2HE TYR 88 9.455 -9.354 4.654 651 HE2 TYR 88 1HE TYR 88 8.836 -5.122 4.756 652 HH TYR 88 HH TYR 88 7.766 -8.025 5.991 653 H ILE 89 H ILE 89 13.263 -5.366 0.611 654 HA ILE 89 HA ILE 89 10.637 -5.670 -0.391 655 HB ILE 89 HB ILE 89 13.038 -4.179 -1.437 656 HG12 ILE 89 2HG1 ILE 89 11.533 -2.158 -0.962 657 HG13 ILE 89 1HG1 ILE 89 10.473 -3.277 -0.126 658 HG21 ILE 89 1HG2 ILE 89 11.518 -3.090 -3.085 659 HG22 ILE 89 2HG2 ILE 89 10.227 -4.160 -2.504 660 HG23 ILE 89 3HG2 ILE 89 11.622 -4.849 -3.340 661 HD11 ILE 89 3HD1 ILE 89 11.870 -2.088 1.375 662 HD12 ILE 89 1HD1 ILE 89 13.322 -2.661 0.551 663 HD13 ILE 89 2HD1 ILE 89 12.284 -3.811 1.410 664 H ASP 90 H ASP 90 13.735 -6.718 -1.454 665 HA ASP 90 HA ASP 90 13.154 -7.841 -3.965 666 HB2 ASP 90 2HB ASP 90 15.375 -7.260 -3.043 667 HB3 ASP 90 1HB ASP 90 15.211 -8.555 -1.894 668 H THR 91 H THR 91 12.532 -8.816 -0.784 669 HA THR 91 HA THR 91 12.252 -11.652 -1.279 670 HB THR 91 HB THR 91 11.813 -9.922 1.136 671 HG1 THR 91 1HG THR 91 14.002 -10.120 0.467 672 HG21 THR 91 3HG2 THR 91 11.788 -12.929 0.879 673 HG22 THR 91 1HG2 THR 91 10.466 -11.801 1.173 674 HG23 THR 91 2HG2 THR 91 11.726 -12.011 2.412 675 H LEU 92 H LEU 92 10.130 -8.861 -0.446 676 HA LEU 92 HA LEU 92 7.733 -10.028 -0.276 677 HB2 LEU 92 2HB LEU 92 8.582 -7.408 -1.354 678 HB3 LEU 92 1HB LEU 92 6.897 -7.857 -1.543 679 HG LEU 92 HG LEU 92 7.075 -6.432 0.363 680 HD11 LEU 92 1HD1 LEU 92 6.994 -9.220 1.290 681 HD12 LEU 92 2HD1 LEU 92 5.593 -8.346 0.633 682 HD13 LEU 92 3HD1 LEU 92 6.324 -7.862 2.182 683 HD21 LEU 92 3HD2 LEU 92 9.138 -8.308 1.383 684 HD22 LEU 92 1HD2 LEU 92 8.487 -6.931 2.259 685 HD23 LEU 92 2HD2 LEU 92 9.437 -6.663 0.794 686 H ARG 93 H ARG 93 9.500 -9.303 -3.181 687 HA ARG 93 HA ARG 93 7.427 -9.653 -5.050 688 HB2 ARG 93 2HB ARG 93 10.314 -10.313 -5.599 689 HB3 ARG 93 1HB ARG 93 9.083 -9.843 -6.759 690 HG2 ARG 93 2HG ARG 93 10.590 -8.178 -4.813 691 HG3 ARG 93 1HG ARG 93 10.278 -7.931 -6.536 692 HD2 ARG 93 2HD ARG 93 8.399 -7.721 -4.270 693 HD3 ARG 93 1HD ARG 93 9.016 -6.385 -5.178 694 HE ARG 93 HE ARG 93 6.898 -8.278 -6.022 695 HH11 ARG 93 1HH1 ARG 93 8.879 -5.557 -7.203 696 HH12 ARG 93 2HH1 ARG 93 7.887 -5.334 -8.579 697 HH21 ARG 93 1HH2 ARG 93 5.604 -7.895 -7.852 698 HH22 ARG 93 2HH2 ARG 93 5.992 -6.652 -8.949 699 H GLU 94 H GLU 94 9.342 -11.710 -3.403 700 HA GLU 94 HA GLU 94 9.002 -14.041 -5.112 701 HB2 GLU 94 2HB GLU 94 10.072 -14.038 -2.303 702 HB3 GLU 94 1HB GLU 94 10.272 -15.303 -3.510 703 HG2 GLU 94 2HG GLU 94 11.502 -13.662 -4.914 704 HG3 GLU 94 1HG GLU 94 11.374 -12.539 -3.554 705 H ALA 95 H ALA 95 7.809 -13.130 -1.921 706 HA ALA 95 HA ALA 95 6.148 -15.502 -1.875 707 HB1 ALA 95 1HB ALA 95 5.542 -14.962 0.384 708 HB2 ALA 95 2HB ALA 95 6.195 -13.342 0.210 709 HB3 ALA 95 3HB ALA 95 7.280 -14.735 0.199 710 H LEU 96 H LEU 96 5.777 -12.360 -2.684 711 HA LEU 96 HA LEU 96 2.826 -12.538 -2.738 712 HB2 LEU 96 2HB LEU 96 4.674 -10.179 -3.092 713 HB3 LEU 96 1HB LEU 96 2.986 -10.112 -3.542 714 HG LEU 96 HG LEU 96 2.382 -10.558 -1.158 715 HD11 LEU 96 1HD1 LEU 96 4.043 -10.297 0.580 716 HD12 LEU 96 2HD1 LEU 96 5.311 -10.147 -0.638 717 HD13 LEU 96 3HD1 LEU 96 4.447 -11.668 -0.457 718 HD21 LEU 96 3HD2 LEU 96 4.143 -8.167 -1.589 719 HD22 LEU 96 1HD2 LEU 96 2.890 -8.336 -0.370 720 HD23 LEU 96 2HD2 LEU 96 2.454 -8.293 -2.081 721 HA PRO 97 HA PRO 97 2.965 -13.887 -6.822 722 HB2 PRO 97 2HB PRO 97 0.372 -13.383 -7.471 723 HB3 PRO 97 1HB PRO 97 0.849 -14.741 -6.444 724 HG2 PRO 97 2HG PRO 97 -0.165 -12.044 -5.669 725 HG3 PRO 97 1HG PRO 97 -0.657 -13.634 -5.046 726 HD2 PRO 97 2HD PRO 97 1.042 -12.071 -3.698 727 HD3 PRO 97 1HD PRO 97 1.248 -13.835 -3.724 728 H ALA 98 H ALA 98 2.516 -13.100 -8.957 729 HA ALA 98 HA ALA 98 3.593 -10.562 -9.503 730 HB1 ALA 98 1HB ALA 98 1.944 -12.354 -11.276 731 HB2 ALA 98 2HB ALA 98 3.688 -12.459 -11.052 732 HB3 ALA 98 3HB ALA 98 2.977 -11.039 -11.824 733 H HIS 99 H HIS 99 0.486 -11.525 -8.718 734 HA HIS 99 HA HIS 99 -1.104 -9.579 -10.063 735 HB2 HIS 99 2HB HIS 99 -1.722 -11.113 -7.539 736 HB3 HIS 99 1HB HIS 99 -2.911 -10.332 -8.586 737 HD1 HIS 99 1HD HIS 99 -2.464 -13.496 -7.712 738 HD2 HIS 99 2HD HIS 99 -1.802 -11.591 -11.299 739 HE1 HIS 99 1HE HIS 99 -2.500 -15.323 -9.428 740 H VAL 100 H VAL 100 0.737 -9.620 -6.965 741 HA VAL 100 HA VAL 100 -0.393 -7.072 -6.270 742 HB VAL 100 HB VAL 100 1.120 -9.179 -4.706 743 HG11 VAL 100 1HG1 VAL 100 1.571 -7.008 -3.956 744 HG12 VAL 100 2HG1 VAL 100 0.514 -7.827 -2.769 745 HG13 VAL 100 3HG1 VAL 100 -0.147 -6.606 -3.892 746 HG21 VAL 100 3HG2 VAL 100 -0.973 -9.623 -3.575 747 HG22 VAL 100 1HG2 VAL 100 -1.163 -9.859 -5.308 748 HG23 VAL 100 2HG2 VAL 100 -1.791 -8.396 -4.543 749 H ALA 101 H ALA 101 0.976 -5.403 -6.166 750 HA ALA 101 HA ALA 101 3.750 -5.845 -7.008 751 HB1 ALA 101 1HB ALA 101 2.388 -4.613 -8.642 752 HB2 ALA 101 2HB ALA 101 3.661 -3.601 -7.959 753 HB3 ALA 101 3HB ALA 101 2.001 -3.420 -7.400 754 H ILE 102 H ILE 102 5.147 -3.985 -6.235 755 HA ILE 102 HA ILE 102 4.444 -3.284 -3.510 756 HB ILE 102 HB ILE 102 7.060 -4.411 -4.525 757 HG12 ILE 102 2HG1 ILE 102 6.917 -5.790 -2.371 758 HG13 ILE 102 1HG1 ILE 102 5.280 -5.196 -2.193 759 HG21 ILE 102 1HG2 ILE 102 6.600 -2.695 -2.147 760 HG22 ILE 102 2HG2 ILE 102 7.753 -2.503 -3.457 761 HG23 ILE 102 3HG2 ILE 102 8.007 -3.782 -2.240 762 HD11 ILE 102 3HD1 ILE 102 6.333 -6.950 -4.419 763 HD12 ILE 102 1HD1 ILE 102 4.692 -6.297 -4.331 764 HD13 ILE 102 2HD1 ILE 102 5.277 -7.423 -3.108 765 H TRP 103 H TRP 103 4.848 -1.233 -3.062 766 HA TRP 103 HA TRP 103 6.452 0.275 -5.046 767 HB2 TRP 103 2HB TRP 103 4.045 1.395 -3.567 768 HB3 TRP 103 1HB TRP 103 5.057 2.257 -4.704 769 HD1 TRP 103 HD TRP 103 4.755 -0.536 -6.712 770 HE1 TRP 103 1HE TRP 103 2.633 -0.556 -8.170 771 HE3 TRP 103 3HE TRP 103 2.055 2.821 -4.136 772 HZ2 TRP 103 2HZ TRP 103 0.125 0.712 -8.207 773 HZ3 TRP 103 3HZ TRP 103 -0.236 3.426 -4.940 774 HH2 TRP 103 HH TRP 103 -1.161 2.378 -6.935 775 H LYS 104 H LYS 104 7.335 2.280 -4.040 776 HA LYS 104 HA LYS 104 7.983 1.681 -1.264 777 HB2 LYS 104 2HB LYS 104 9.852 1.331 -2.885 778 HB3 LYS 104 1HB LYS 104 9.750 3.019 -3.338 779 HG2 LYS 104 2HG LYS 104 10.332 2.178 -0.504 780 HG3 LYS 104 1HG LYS 104 11.596 2.279 -1.725 781 HD2 LYS 104 2HD LYS 104 11.110 4.655 -2.045 782 HD3 LYS 104 1HD LYS 104 9.783 4.552 -0.889 783 HE2 LYS 104 2HE LYS 104 11.333 4.028 0.900 784 HE3 LYS 104 1HE LYS 104 12.669 3.980 -0.250 785 HZ1 LYS 104 3HZ LYS 104 12.603 6.071 0.961 786 HZ2 LYS 104 1HZ LYS 104 11.050 6.387 0.380 787 HZ3 LYS 104 2HZ LYS 104 12.409 6.276 -0.679 788 H ALA 105 H ALA 105 7.365 3.098 0.084 789 HA ALA 105 HA ALA 105 6.087 5.530 -0.667 790 HB1 ALA 105 1HB ALA 105 6.945 4.555 2.066 791 HB2 ALA 105 2HB ALA 105 5.373 4.275 1.320 792 HB3 ALA 105 3HB ALA 105 5.863 5.912 1.758 793 H LEU 106 H LEU 106 7.231 7.125 -1.426 794 HA LEU 106 HA LEU 106 9.933 7.548 -0.522 795 HB2 LEU 106 2HB LEU 106 9.542 7.349 -2.899 796 HB3 LEU 106 1HB LEU 106 8.332 8.610 -2.833 797 HG LEU 106 HG LEU 106 10.122 10.241 -2.254 798 HD11 LEU 106 1HD1 LEU 106 12.458 9.595 -2.573 799 HD12 LEU 106 2HD1 LEU 106 11.954 7.914 -2.777 800 HD13 LEU 106 3HD1 LEU 106 11.716 8.727 -1.230 801 HD21 LEU 106 3HD2 LEU 106 9.393 9.965 -4.564 802 HD22 LEU 106 1HD2 LEU 106 10.575 8.675 -4.789 803 HD23 LEU 106 2HD2 LEU 106 11.118 10.326 -4.484 804 H SER 107 H SER 107 9.763 8.618 1.382 805 HA SER 107 HA SER 107 8.125 10.860 1.824 806 HB2 SER 107 2HB SER 107 10.855 10.239 3.010 807 HB3 SER 107 1HB SER 107 9.572 11.182 3.757 808 HG SER 107 HG SER 107 8.311 9.249 3.874 809 H VAL 108 H VAL 108 8.756 13.087 1.504 810 HA VAL 108 HA VAL 108 10.085 13.415 -0.927 811 HB VAL 108 HB VAL 108 9.889 15.851 -0.602 812 HG11 VAL 108 1HG1 VAL 108 8.029 14.596 -1.547 813 HG12 VAL 108 2HG1 VAL 108 7.436 15.930 -0.558 814 HG13 VAL 108 3HG1 VAL 108 7.402 14.282 0.073 815 HG21 VAL 108 3HG2 VAL 108 8.689 15.134 2.063 816 HG22 VAL 108 1HG2 VAL 108 8.780 16.747 1.366 817 HG23 VAL 108 2HG2 VAL 108 10.258 15.895 1.816 818 H GLY 109 H GLY 109 11.894 14.576 -1.483 819 HA2 GLY 109 2HA GLY 109 13.977 15.469 -0.102 820 HA3 GLY 109 1HA GLY 109 14.131 13.718 0.087 821 H GLU 110 H GLU 110 14.353 16.352 -2.051 822 HA GLU 110 HA GLU 110 14.442 14.912 -4.495 823 HB2 GLU 110 2HB GLU 110 15.286 17.070 -5.425 824 HB3 GLU 110 1HB GLU 110 13.775 17.185 -4.537 825 HG2 GLU 110 2HG GLU 110 15.084 17.958 -2.560 826 HG3 GLU 110 1HG GLU 110 16.507 17.990 -3.595 827 H THR 111 H THR 111 16.790 15.464 -2.077 828 HA THR 111 HA THR 111 19.072 15.116 -3.759 829 HB THR 111 HB THR 111 18.906 14.811 -0.742 830 HG1 THR 111 1HG THR 111 18.512 16.839 -0.706 831 HG21 THR 111 3HG2 THR 111 21.049 14.097 -1.766 832 HG22 THR 111 1HG2 THR 111 21.251 15.564 -0.809 833 HG23 THR 111 2HG2 THR 111 21.174 15.664 -2.567 834 H LEU 112 H LEU 112 16.730 12.998 -2.563 835 HA LEU 112 HA LEU 112 18.340 10.664 -2.195 836 HB2 LEU 112 2HB LEU 112 15.379 11.013 -2.680 837 HB3 LEU 112 1HB LEU 112 16.138 9.473 -2.355 838 HG LEU 112 HG LEU 112 16.144 11.799 -0.428 839 HD11 LEU 112 1HD1 LEU 112 13.878 10.958 -0.795 840 HD12 LEU 112 2HD1 LEU 112 14.474 10.521 0.807 841 HD13 LEU 112 3HD1 LEU 112 14.434 9.311 -0.480 842 HD21 LEU 112 3HD2 LEU 112 16.867 8.893 -0.082 843 HD22 LEU 112 1HD2 LEU 112 16.890 10.124 1.180 844 HD23 LEU 112 2HD2 LEU 112 18.012 10.226 -0.180 845 HA PRO 113 HA PRO 113 18.705 9.780 -6.547 846 HB2 PRO 113 2HB PRO 113 19.583 7.200 -6.332 847 HB3 PRO 113 1HB PRO 113 20.638 8.597 -6.098 848 HG2 PRO 113 2HG PRO 113 19.323 6.847 -4.081 849 HG3 PRO 113 1HG PRO 113 20.936 7.580 -4.042 850 HD2 PRO 113 2HD PRO 113 18.793 8.563 -2.654 851 HD3 PRO 113 1HD PRO 113 20.138 9.572 -3.217 852 H ALA 114 H ALA 114 17.611 8.530 -8.093 853 HA ALA 114 HA ALA 114 14.945 7.937 -7.430 854 HB1 ALA 114 1HB ALA 114 16.406 7.204 -9.940 855 HB2 ALA 114 2HB ALA 114 15.668 8.773 -9.622 856 HB3 ALA 114 3HB ALA 114 14.659 7.326 -9.744 857 H ARG 115 H ARG 115 17.737 5.868 -7.643 858 HA ARG 115 HA ARG 115 15.945 3.576 -7.320 859 HB2 ARG 115 2HB ARG 115 18.965 3.483 -7.634 860 HB3 ARG 115 1HB ARG 115 17.869 2.119 -7.544 861 HG2 ARG 115 2HG ARG 115 18.517 2.290 -9.808 862 HG3 ARG 115 1HG ARG 115 16.885 2.955 -9.735 863 HD2 ARG 115 2HD ARG 115 18.407 4.297 -11.130 864 HD3 ARG 115 1HD ARG 115 17.761 5.205 -9.762 865 HE ARG 115 HE ARG 115 20.285 3.947 -9.240 866 HH11 ARG 115 1HH1 ARG 115 18.807 6.865 -10.648 867 HH12 ARG 115 2HH1 ARG 115 20.134 7.861 -10.321 868 HH21 ARG 115 1HH2 ARG 115 22.126 5.357 -8.805 869 HH22 ARG 115 2HH2 ARG 115 22.051 7.002 -9.262 870 H GLU 116 H GLU 116 15.585 2.923 -5.359 871 HA GLU 116 HA GLU 116 17.602 3.526 -3.306 872 HB2 GLU 116 2HB GLU 116 14.602 3.568 -2.940 873 HB3 GLU 116 1HB GLU 116 15.781 3.755 -1.662 874 HG2 GLU 116 2HG GLU 116 16.539 5.843 -2.884 875 HG3 GLU 116 1HG GLU 116 15.086 5.655 -3.868 876 H PHE 117 H PHE 117 14.742 1.703 -4.128 877 HA PHE 117 HA PHE 117 15.988 -0.669 -3.013 878 HB2 PHE 117 2HB PHE 117 13.092 0.202 -2.728 879 HB3 PHE 117 1HB PHE 117 13.734 -1.360 -2.216 880 HD1 PHE 117 1HD PHE 117 15.175 -1.528 -0.324 881 HD2 PHE 117 2HD PHE 117 13.582 2.218 -1.464 882 HE1 PHE 117 1HE PHE 117 15.838 -0.577 1.854 883 HE2 PHE 117 2HE PHE 117 14.254 3.179 0.706 884 HZ PHE 117 HZ PHE 117 15.390 1.777 2.354 885 H GLN 118 H GLN 118 16.247 -2.044 -4.574 886 HA GLN 118 HA GLN 118 15.033 -1.679 -7.107 887 HB2 GLN 118 2HB GLN 118 17.340 -2.822 -6.282 888 HB3 GLN 118 1HB GLN 118 16.282 -4.229 -6.473 889 HG2 GLN 118 2HG GLN 118 15.785 -3.570 -8.729 890 HG3 GLN 118 1HG GLN 118 16.840 -2.167 -8.506 891 HE21 GLN 118 1HE2 GLN 118 17.593 -5.353 -7.237 892 HE22 GLN 118 2HE2 GLN 118 18.900 -5.676 -8.286 893 H HIS 119 H HIS 119 13.944 -3.423 -8.166 894 HA HIS 119 HA HIS 119 12.258 -4.796 -8.478 895 HB2 HIS 119 2HB HIS 119 13.235 -5.940 -5.877 896 HB3 HIS 119 1HB HIS 119 11.768 -6.569 -6.621 897 HD1 HIS 119 1HD HIS 119 14.731 -8.095 -6.351 898 HD2 HIS 119 2HD HIS 119 12.930 -6.432 -9.735 899 HE1 HIS 119 1HE HIS 119 15.708 -9.264 -8.323 900 H VAL 120 H VAL 120 11.884 -2.231 -7.081 901 HA VAL 120 HA VAL 120 9.208 -2.725 -6.017 902 HB VAL 120 HB VAL 120 9.007 -0.358 -5.571 903 HG11 VAL 120 1HG1 VAL 120 10.118 -1.556 -3.857 904 HG12 VAL 120 2HG1 VAL 120 10.888 0.031 -4.015 905 HG13 VAL 120 3HG1 VAL 120 11.665 -1.397 -4.683 906 HG21 VAL 120 3HG2 VAL 120 11.674 0.020 -6.940 907 HG22 VAL 120 1HG2 VAL 120 10.783 1.266 -6.056 908 HG23 VAL 120 2HG2 VAL 120 10.096 0.569 -7.518 909 H ASP 121 H ASP 121 7.394 -1.860 -6.983 910 HA ASP 121 HA ASP 121 7.609 -2.104 -9.866 911 HB2 ASP 121 2HB ASP 121 5.857 -3.322 -8.614 912 HB3 ASP 121 1HB ASP 121 5.133 -1.788 -8.161 913 H LYS 122 H LYS 122 6.508 0.257 -7.505 914 HA LYS 122 HA LYS 122 6.985 2.394 -9.417 915 HB2 LYS 122 2HB LYS 122 4.290 2.010 -8.055 916 HB3 LYS 122 1HB LYS 122 4.794 3.513 -8.780 917 HG2 LYS 122 2HG LYS 122 4.865 2.408 -10.975 918 HG3 LYS 122 1HG LYS 122 4.354 0.896 -10.222 919 HD2 LYS 122 2HD LYS 122 2.292 1.962 -9.461 920 HD3 LYS 122 1HD LYS 122 2.801 3.483 -10.183 921 HE2 LYS 122 2HE LYS 122 2.336 0.916 -11.673 922 HE3 LYS 122 1HE LYS 122 1.173 2.238 -11.568 923 HZ1 LYS 122 3HZ LYS 122 2.823 3.659 -12.680 924 HZ2 LYS 122 1HZ LYS 122 2.382 2.346 -13.633 925 HZ3 LYS 122 2HZ LYS 122 3.865 2.348 -12.842 926 H TYR 123 H TYR 123 7.074 4.459 -8.376 927 HA TYR 123 HA TYR 123 7.503 4.340 -5.481 928 HB2 TYR 123 2HB TYR 123 8.518 6.228 -7.592 929 HB3 TYR 123 1HB TYR 123 8.502 6.680 -5.898 930 HD1 TYR 123 1HD TYR 123 9.893 5.455 -4.285 931 HD2 TYR 123 2HD TYR 123 10.157 4.726 -8.464 932 HE1 TYR 123 1HE TYR 123 12.042 4.408 -3.940 933 HE2 TYR 123 2HE TYR 123 12.337 3.655 -8.140 934 HH TYR 123 HH TYR 123 14.093 3.883 -6.522 935 H VAL 124 H VAL 124 6.486 5.783 -4.160 936 HA VAL 124 HA VAL 124 4.543 7.614 -5.305 937 HB VAL 124 HB VAL 124 2.799 6.936 -3.615 938 HG11 VAL 124 1HG1 VAL 124 1.931 5.036 -4.895 939 HG12 VAL 124 2HG1 VAL 124 3.500 4.869 -5.681 940 HG13 VAL 124 3HG1 VAL 124 2.536 6.325 -5.934 941 HG21 VAL 124 3HG2 VAL 124 2.906 4.653 -2.684 942 HG22 VAL 124 1HG2 VAL 124 4.207 5.685 -2.089 943 HG23 VAL 124 2HG2 VAL 124 4.537 4.483 -3.334 944 H LEU 125 H LEU 125 3.697 9.087 -3.636 945 HA LEU 125 HA LEU 125 5.964 9.961 -2.102 946 HB2 LEU 125 2HB LEU 125 3.228 11.165 -2.439 947 HB3 LEU 125 1HB LEU 125 4.552 11.924 -1.581 948 HG LEU 125 HG LEU 125 4.502 11.282 -4.530 949 HD11 LEU 125 1HD1 LEU 125 4.405 13.704 -4.818 950 HD12 LEU 125 2HD1 LEU 125 4.296 13.907 -3.071 951 HD13 LEU 125 3HD1 LEU 125 2.997 13.094 -3.948 952 HD21 LEU 125 3HD2 LEU 125 6.776 11.156 -3.636 953 HD22 LEU 125 1HD2 LEU 125 6.569 12.733 -2.868 954 HD23 LEU 125 2HD2 LEU 125 6.575 12.596 -4.625 955 H ASP 126 H ASP 126 5.422 10.932 0.082 956 HA ASP 126 HA ASP 126 4.643 8.816 1.794 957 HB2 ASP 126 2HB ASP 126 6.367 10.139 2.665 958 HB3 ASP 126 1HB ASP 126 5.498 11.644 2.349 959 H ASN 127 H ASN 127 2.794 8.320 2.457 960 HA ASN 127 HA ASN 127 0.795 10.385 3.024 961 HB2 ASN 127 2HB ASN 127 0.270 7.724 1.654 962 HB3 ASN 127 1HB ASN 127 -0.991 8.741 2.332 963 HD21 ASN 127 1HD2 ASN 127 -1.513 10.674 1.280 964 HD22 ASN 127 2HD2 ASN 127 -1.029 10.962 -0.360 965 H GLY 128 H GLY 128 2.866 8.595 4.522 966 HA2 GLY 128 2HA GLY 128 0.964 7.580 6.486 967 HA3 GLY 128 1HA GLY 128 1.964 6.382 5.700 968 H GLN 129 H GLN 129 4.454 7.866 5.649 969 HA GLN 129 HA GLN 129 5.029 8.437 8.419 970 HB2 GLN 129 2HB GLN 129 5.128 5.935 8.236 971 HB3 GLN 129 1HB GLN 129 6.380 6.115 7.017 972 HG2 GLN 129 2HG GLN 129 7.413 5.605 9.118 973 HG3 GLN 129 1HG GLN 129 7.785 7.278 8.701 974 HE21 GLN 129 1HE2 GLN 129 8.153 7.901 10.820 975 HE22 GLN 129 2HE2 GLN 129 6.881 8.047 11.974 976 H GLY 130 H GLY 130 6.126 10.309 8.117 977 HA2 GLY 130 2HA GLY 130 7.887 10.553 5.805 978 HA3 GLY 130 1HA GLY 130 7.343 11.865 6.853 979 H GLY 131 H GLY 131 9.835 9.654 6.212 980 HA2 GLY 131 2HA GLY 131 11.504 10.812 8.161 981 HA3 GLY 131 1HA GLY 131 10.953 9.221 8.684 982 H ALA 132 H ALA 132 12.966 8.332 8.573 983 HA ALA 132 HA ALA 132 14.757 7.329 7.744 984 HB1 ALA 132 1HB ALA 132 14.531 6.045 5.672 985 HB2 ALA 132 2HB ALA 132 13.111 6.987 5.224 986 HB3 ALA 132 3HB ALA 132 13.051 5.923 6.626 987 H GLY 133 H GLY 133 15.852 9.298 7.895 988 HA2 GLY 133 2HA GLY 133 17.699 10.224 6.525 989 HA3 GLY 133 1HA GLY 133 16.476 10.527 5.290 990 H SER 134 H SER 134 14.408 11.434 6.847 991 HA SER 134 HA SER 134 15.342 13.470 8.608 992 HB2 SER 134 2HB SER 134 13.840 14.193 6.063 993 HB3 SER 134 1HB SER 134 14.151 15.305 7.398 994 HG SER 134 HG SER 134 16.403 14.069 6.644 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -7.136 14.124 -17.345 2 H2 MET 1 2HT MET 1 -7.695 12.526 -17.440 3 H3 MET 1 3HT MET 1 -6.112 12.821 -17.045 4 HA MET 1 HA MET 1 -6.696 13.751 -14.960 5 HB2 MET 1 2HB MET 1 -8.847 14.752 -15.703 6 HB3 MET 1 1HB MET 1 -9.544 13.149 -15.844 7 HG2 MET 1 2HG MET 1 -9.307 12.828 -13.435 8 HG3 MET 1 1HG MET 1 -8.579 14.424 -13.289 9 HE1 MET 1 2HE MET 1 -11.601 16.764 -14.245 10 HE2 MET 1 3HE MET 1 -10.408 16.131 -15.371 11 HE3 MET 1 1HE MET 1 -9.902 16.700 -13.778 12 H GLY 2 H GLY 2 -6.724 12.248 -13.184 13 HA2 GLY 2 2HA GLY 2 -7.675 9.596 -13.681 14 HA3 GLY 2 1HA GLY 2 -5.920 9.754 -13.638 15 H GLU 3 H GLU 3 -6.243 8.289 -11.779 16 HA GLU 3 HA GLU 3 -6.148 7.824 -9.586 17 HB2 GLU 3 2HB GLU 3 -6.161 10.821 -9.112 18 HB3 GLU 3 1HB GLU 3 -5.751 9.597 -7.928 19 HG2 GLU 3 2HG GLU 3 -4.210 10.272 -10.423 20 HG3 GLU 3 1HG GLU 3 -3.797 10.738 -8.782 21 H ASN 4 H ASN 4 -7.571 7.350 -7.939 22 HA ASN 4 HA ASN 4 -9.822 9.068 -7.427 23 HB2 ASN 4 2HB ASN 4 -11.556 7.304 -7.557 24 HB3 ASN 4 1HB ASN 4 -10.791 7.490 -9.119 25 HD21 ASN 4 1HD2 ASN 4 -11.206 5.450 -6.367 26 HD22 ASN 4 2HD2 ASN 4 -10.618 3.986 -7.075 27 H LYS 5 H LYS 5 -7.594 8.746 -6.158 28 HA LYS 5 HA LYS 5 -7.230 6.667 -4.325 29 HB2 LYS 5 2HB LYS 5 -6.259 9.506 -4.223 30 HB3 LYS 5 1HB LYS 5 -5.708 8.237 -3.143 31 HG2 LYS 5 2HG LYS 5 -4.843 6.995 -5.075 32 HG3 LYS 5 1HG LYS 5 -5.371 8.300 -6.135 33 HD2 LYS 5 2HD LYS 5 -3.381 8.608 -3.874 34 HD3 LYS 5 1HD LYS 5 -2.952 8.411 -5.571 35 HE2 LYS 5 2HE LYS 5 -4.178 10.497 -6.092 36 HE3 LYS 5 1HE LYS 5 -4.529 10.696 -4.375 37 HZ1 LYS 5 3HZ LYS 5 -1.826 10.673 -5.607 38 HZ2 LYS 5 1HZ LYS 5 -2.134 10.819 -3.959 39 HZ3 LYS 5 2HZ LYS 5 -2.637 12.022 -5.017 40 H VAL 6 H VAL 6 -8.977 6.181 -3.103 41 HA VAL 6 HA VAL 6 -9.860 8.237 -1.270 42 HB VAL 6 HB VAL 6 -11.545 6.477 -0.544 43 HG11 VAL 6 1HG1 VAL 6 -12.127 8.445 -1.876 44 HG12 VAL 6 2HG1 VAL 6 -13.053 7.043 -2.411 45 HG13 VAL 6 3HG1 VAL 6 -11.662 7.593 -3.350 46 HG21 VAL 6 3HG2 VAL 6 -12.132 4.776 -2.237 47 HG22 VAL 6 1HG2 VAL 6 -10.516 4.522 -1.574 48 HG23 VAL 6 2HG2 VAL 6 -10.712 5.238 -3.174 49 H CYS 7 H CYS 7 -9.390 8.277 0.708 50 HA CYS 7 HA CYS 7 -7.787 6.206 1.951 51 HB2 CYS 7 2HB CYS 7 -8.552 9.016 2.815 52 HB3 CYS 7 1HB CYS 7 -7.496 7.938 3.730 53 HG CYS 7 HG CYS 7 -6.015 7.764 1.079 54 H GLY 8 H GLY 8 -8.523 5.958 4.476 55 HA2 GLY 8 2HA GLY 8 -10.600 4.214 4.413 56 HA3 GLY 8 1HA GLY 8 -10.071 5.056 5.858 57 H LEU 9 H LEU 9 -12.682 4.234 4.415 58 HA LEU 9 HA LEU 9 -14.120 6.712 4.913 59 HB2 LEU 9 2HB LEU 9 -13.592 6.398 2.474 60 HB3 LEU 9 1HB LEU 9 -14.448 4.879 2.530 61 HG LEU 9 HG LEU 9 -16.548 6.076 2.961 62 HD11 LEU 9 1HD1 LEU 9 -16.623 8.505 2.789 63 HD12 LEU 9 2HD1 LEU 9 -14.862 8.566 2.696 64 HD13 LEU 9 3HD1 LEU 9 -15.653 8.002 4.170 65 HD21 LEU 9 3HD2 LEU 9 -16.716 7.160 0.761 66 HD22 LEU 9 1HD2 LEU 9 -15.905 5.595 0.680 67 HD23 LEU 9 2HD2 LEU 9 -14.963 7.082 0.614 68 H THR 10 H THR 10 -16.622 5.965 4.859 69 HA THR 10 HA THR 10 -16.775 3.302 6.031 70 HB THR 10 HB THR 10 -16.332 4.802 7.932 71 HG1 THR 10 1HG THR 10 -17.899 3.016 8.127 72 HG21 THR 10 3HG2 THR 10 -17.190 6.883 7.033 73 HG22 THR 10 1HG2 THR 10 -17.961 6.538 8.583 74 HG23 THR 10 2HG2 THR 10 -18.835 6.251 7.074 75 H ARG 11 H ARG 11 -17.675 4.953 3.676 76 HA ARG 11 HA ARG 11 -20.492 4.254 3.870 77 HB2 ARG 11 2HB ARG 11 -19.242 6.574 2.453 78 HB3 ARG 11 1HB ARG 11 -20.918 6.098 2.243 79 HG2 ARG 11 2HG ARG 11 -21.320 6.717 4.586 80 HG3 ARG 11 1HG ARG 11 -19.613 7.187 4.738 81 HD2 ARG 11 2HD ARG 11 -19.876 8.770 2.902 82 HD3 ARG 11 1HD ARG 11 -21.559 8.319 2.727 83 HE ARG 11 HE ARG 11 -21.373 9.203 5.287 84 HH11 ARG 11 1HH1 ARG 11 -20.446 10.568 2.120 85 HH12 ARG 11 2HH1 ARG 11 -20.768 12.168 2.575 86 HH21 ARG 11 1HH2 ARG 11 -21.844 11.460 5.856 87 HH22 ARG 11 2HH2 ARG 11 -21.594 12.680 4.681 88 H GLY 12 H GLY 12 -20.699 2.557 2.573 89 HA2 GLY 12 2HA GLY 12 -18.983 1.560 0.595 90 HA3 GLY 12 1HA GLY 12 -20.714 1.235 0.867 91 H GLN 13 H GLN 13 -21.835 3.441 0.420 92 HA GLN 13 HA GLN 13 -22.235 3.415 -2.376 93 HB2 GLN 13 2HB GLN 13 -23.259 5.234 -0.198 94 HB3 GLN 13 1HB GLN 13 -23.807 5.328 -1.853 95 HG2 GLN 13 2HG GLN 13 -25.171 4.033 -0.001 96 HG3 GLN 13 1HG GLN 13 -25.130 3.489 -1.664 97 HE21 GLN 13 1HE2 GLN 13 -23.507 2.982 1.486 98 HE22 GLN 13 2HE2 GLN 13 -23.263 1.310 1.244 99 H ASP 14 H ASP 14 -20.658 5.443 -0.150 100 HA ASP 14 HA ASP 14 -20.172 7.666 -1.892 101 HB2 ASP 14 2HB ASP 14 -20.408 7.572 0.660 102 HB3 ASP 14 1HB ASP 14 -18.780 6.978 0.680 103 H ALA 15 H ALA 15 -18.597 4.783 -0.818 104 HA ALA 15 HA ALA 15 -16.026 5.229 -1.886 105 HB1 ALA 15 1HB ALA 15 -17.487 2.648 -1.280 106 HB2 ALA 15 2HB ALA 15 -16.532 3.552 -0.138 107 HB3 ALA 15 3HB ALA 15 -15.745 2.795 -1.536 108 H LYS 16 H LYS 16 -19.049 3.971 -3.141 109 HA LYS 16 HA LYS 16 -18.093 2.877 -5.546 110 HB2 LYS 16 2HB LYS 16 -20.795 4.150 -5.101 111 HB3 LYS 16 1HB LYS 16 -20.365 3.113 -6.450 112 HG2 LYS 16 2HG LYS 16 -19.906 1.321 -4.724 113 HG3 LYS 16 1HG LYS 16 -20.682 2.387 -3.561 114 HD2 LYS 16 2HD LYS 16 -21.957 1.246 -6.064 115 HD3 LYS 16 1HD LYS 16 -22.240 0.689 -4.424 116 HE2 LYS 16 2HE LYS 16 -24.117 1.995 -4.972 117 HE3 LYS 16 1HE LYS 16 -23.161 3.050 -3.957 118 HZ1 LYS 16 3HZ LYS 16 -22.364 4.169 -6.017 119 HZ2 LYS 16 1HZ LYS 16 -24.029 4.224 -5.831 120 HZ3 LYS 16 2HZ LYS 16 -23.340 3.145 -6.922 121 H ALA 17 H ALA 17 -18.801 6.147 -4.619 122 HA ALA 17 HA ALA 17 -18.915 7.280 -7.178 123 HB1 ALA 17 1HB ALA 17 -17.979 8.584 -4.625 124 HB2 ALA 17 2HB ALA 17 -19.654 8.458 -5.157 125 HB3 ALA 17 3HB ALA 17 -18.503 9.420 -6.086 126 H ALA 18 H ALA 18 -16.187 6.294 -5.240 127 HA ALA 18 HA ALA 18 -14.228 7.707 -6.786 128 HB1 ALA 18 1HB ALA 18 -12.623 6.331 -5.535 129 HB2 ALA 18 2HB ALA 18 -13.977 5.372 -4.911 130 HB3 ALA 18 3HB ALA 18 -13.829 7.070 -4.477 131 H TYR 19 H TYR 19 -15.533 4.467 -6.669 132 HA TYR 19 HA TYR 19 -13.954 3.411 -8.800 133 HB2 TYR 19 2HB TYR 19 -14.807 1.584 -7.840 134 HB3 TYR 19 1HB TYR 19 -16.016 2.532 -7.006 135 HD1 TYR 19 1HD TYR 19 -15.218 0.771 -10.106 136 HD2 TYR 19 2HD TYR 19 -18.299 2.460 -7.775 137 HE1 TYR 19 1HE TYR 19 -16.901 -0.256 -11.610 138 HE2 TYR 19 2HE TYR 19 -19.996 1.461 -9.238 139 HH TYR 19 HH TYR 19 -20.138 0.685 -11.558 140 H ASP 20 H ASP 20 -16.925 5.096 -8.581 141 HA ASP 20 HA ASP 20 -17.860 4.886 -11.225 142 HB2 ASP 20 2HB ASP 20 -19.227 5.673 -9.367 143 HB3 ASP 20 1HB ASP 20 -18.171 7.060 -9.165 144 H ALA 21 H ALA 21 -15.464 6.903 -9.711 145 HA ALA 21 HA ALA 21 -15.225 8.797 -11.809 146 HB1 ALA 21 1HB ALA 21 -14.560 9.311 -9.504 147 HB2 ALA 21 2HB ALA 21 -13.240 9.581 -10.641 148 HB3 ALA 21 3HB ALA 21 -13.251 8.136 -9.628 149 H GLY 22 H GLY 22 -13.840 5.606 -11.333 150 HA2 GLY 22 2HA GLY 22 -13.077 5.456 -13.987 151 HA3 GLY 22 1HA GLY 22 -11.660 5.930 -13.072 152 H ALA 23 H ALA 23 -12.932 4.250 -10.735 153 HA ALA 23 HA ALA 23 -12.635 2.194 -9.828 154 HB1 ALA 23 1HB ALA 23 -13.143 0.233 -11.170 155 HB2 ALA 23 2HB ALA 23 -12.858 1.137 -12.651 156 HB3 ALA 23 3HB ALA 23 -14.251 1.527 -11.653 157 H ILE 24 H ILE 24 -10.487 3.795 -10.769 158 HA ILE 24 HA ILE 24 -8.548 2.239 -12.113 159 HB ILE 24 HB ILE 24 -8.060 4.759 -10.532 160 HG12 ILE 24 2HG1 ILE 24 -9.018 4.547 -13.407 161 HG13 ILE 24 1HG1 ILE 24 -10.026 5.088 -12.065 162 HG21 ILE 24 1HG2 ILE 24 -6.747 3.569 -12.983 163 HG22 ILE 24 2HG2 ILE 24 -6.080 3.559 -11.353 164 HG23 ILE 24 3HG2 ILE 24 -6.293 5.087 -12.212 165 HD11 ILE 24 3HD1 ILE 24 -9.199 6.962 -13.361 166 HD12 ILE 24 1HD1 ILE 24 -7.536 6.430 -13.083 167 HD13 ILE 24 2HD1 ILE 24 -8.515 6.980 -11.729 168 H TYR 25 H TYR 25 -8.499 3.728 -8.944 169 HA TYR 25 HA TYR 25 -7.838 1.526 -7.385 170 HB2 TYR 25 2HB TYR 25 -5.553 1.248 -7.398 171 HB3 TYR 25 1HB TYR 25 -5.749 1.868 -9.038 172 HD1 TYR 25 2HD TYR 25 -5.130 4.152 -9.553 173 HD2 TYR 25 1HD TYR 25 -4.592 2.420 -5.762 174 HE1 TYR 25 2HE TYR 25 -3.665 5.974 -8.967 175 HE2 TYR 25 1HE TYR 25 -3.205 4.131 -5.081 176 HH TYR 25 HH TYR 25 -2.824 7.066 -7.045 177 H GLY 26 H GLY 26 -7.126 2.063 -5.244 178 HA2 GLY 26 2HA GLY 26 -8.039 4.780 -4.555 179 HA3 GLY 26 1HA GLY 26 -8.474 3.352 -3.623 180 H GLY 27 H GLY 27 -7.232 5.420 -2.282 181 HA2 GLY 27 2HA GLY 27 -4.486 4.414 -1.991 182 HA3 GLY 27 1HA GLY 27 -4.824 6.142 -2.054 183 H LEU 28 H LEU 28 -5.392 3.196 -0.237 184 HA LEU 28 HA LEU 28 -5.908 4.849 2.057 185 HB2 LEU 28 2HB LEU 28 -7.451 3.105 2.946 186 HB3 LEU 28 1HB LEU 28 -8.055 3.925 1.542 187 HG LEU 28 HG LEU 28 -8.744 1.635 1.504 188 HD11 LEU 28 1HD1 LEU 28 -7.967 0.814 -0.632 189 HD12 LEU 28 2HD1 LEU 28 -6.671 2.006 -0.614 190 HD13 LEU 28 3HD1 LEU 28 -8.353 2.535 -0.659 191 HD21 LEU 28 3HD2 LEU 28 -5.845 0.811 1.633 192 HD22 LEU 28 1HD2 LEU 28 -7.203 -0.279 1.362 193 HD23 LEU 28 2HD2 LEU 28 -7.059 0.583 2.895 194 H ILE 29 H ILE 29 -5.238 4.043 3.967 195 HA ILE 29 HA ILE 29 -3.255 1.942 3.697 196 HB ILE 29 HB ILE 29 -2.177 3.050 5.789 197 HG12 ILE 29 2HG1 ILE 29 -3.389 5.434 4.365 198 HG13 ILE 29 1HG1 ILE 29 -3.817 4.888 5.981 199 HG21 ILE 29 1HG2 ILE 29 -1.189 2.476 3.846 200 HG22 ILE 29 2HG2 ILE 29 -0.634 4.121 4.274 201 HG23 ILE 29 3HG2 ILE 29 -1.805 3.868 2.949 202 HD11 ILE 29 3HD1 ILE 29 -1.547 5.389 6.748 203 HD12 ILE 29 1HD1 ILE 29 -2.331 6.812 6.062 204 HD13 ILE 29 2HD1 ILE 29 -1.120 5.936 5.127 205 H PHE 30 H PHE 30 -2.684 0.760 5.487 206 HA PHE 30 HA PHE 30 -5.175 -0.167 6.718 207 HB2 PHE 30 2HB PHE 30 -2.461 -1.428 7.193 208 HB3 PHE 30 1HB PHE 30 -4.032 -2.149 7.438 209 HD1 PHE 30 1HD PHE 30 -1.495 -1.219 5.038 210 HD2 PHE 30 2HD PHE 30 -5.193 -3.265 5.545 211 HE1 PHE 30 1HE PHE 30 -1.169 -2.281 2.898 212 HE2 PHE 30 2HE PHE 30 -4.873 -4.348 3.284 213 HZ PHE 30 HZ PHE 30 -2.814 -3.813 1.981 214 H VAL 31 H VAL 31 -5.487 1.622 8.229 215 HA VAL 31 HA VAL 31 -3.746 1.256 10.553 216 HB VAL 31 HB VAL 31 -5.374 3.738 9.872 217 HG11 VAL 31 1HG1 VAL 31 -3.525 3.228 12.182 218 HG12 VAL 31 2HG1 VAL 31 -5.281 3.286 12.252 219 HG13 VAL 31 3HG1 VAL 31 -4.367 4.747 11.842 220 HG21 VAL 31 3HG2 VAL 31 -3.369 3.553 8.482 221 HG22 VAL 31 1HG2 VAL 31 -2.379 3.336 9.926 222 HG23 VAL 31 2HG2 VAL 31 -3.205 4.869 9.645 223 H ALA 32 H ALA 32 -4.638 0.390 12.225 224 HA ALA 32 HA ALA 32 -7.003 -0.986 12.086 225 HB1 ALA 32 1HB ALA 32 -6.708 -1.476 14.440 226 HB2 ALA 32 2HB ALA 32 -5.558 -0.146 14.589 227 HB3 ALA 32 3HB ALA 32 -5.159 -1.546 13.598 228 H THR 33 H THR 33 -8.833 -0.095 11.742 229 HA THR 33 HA THR 33 -10.832 0.837 12.069 230 HB THR 33 HB THR 33 -11.642 1.307 14.382 231 HG1 THR 33 1HG THR 33 -8.915 1.306 14.911 232 HG21 THR 33 3HG2 THR 33 -11.624 -0.998 13.515 233 HG22 THR 33 1HG2 THR 33 -11.353 -0.960 15.263 234 HG23 THR 33 2HG2 THR 33 -10.001 -1.210 14.160 235 H SER 34 H SER 34 -8.617 2.563 11.279 236 HA SER 34 HA SER 34 -9.162 5.116 12.458 237 HB2 SER 34 2HB SER 34 -6.942 4.554 11.552 238 HB3 SER 34 1HB SER 34 -7.668 4.369 9.954 239 HG SER 34 HG SER 34 -7.293 6.666 11.506 240 HA PRO 35 HA PRO 35 -12.387 6.003 9.471 241 HB2 PRO 35 2HB PRO 35 -12.998 8.501 10.196 242 HB3 PRO 35 1HB PRO 35 -13.394 7.138 11.255 243 HG2 PRO 35 2HG PRO 35 -11.161 9.110 11.454 244 HG3 PRO 35 1HG PRO 35 -12.125 8.385 12.746 245 HD2 PRO 35 2HD PRO 35 -9.580 7.548 11.966 246 HD3 PRO 35 1HD PRO 35 -10.740 6.577 12.901 247 H ARG 36 H ARG 36 -9.346 6.969 9.409 248 HA ARG 36 HA ARG 36 -9.712 8.634 6.998 249 HB2 ARG 36 2HB ARG 36 -7.412 8.577 8.952 250 HB3 ARG 36 1HB ARG 36 -7.432 9.504 7.465 251 HG2 ARG 36 2HG ARG 36 -9.283 10.844 8.312 252 HG3 ARG 36 1HG ARG 36 -9.303 9.887 9.794 253 HD2 ARG 36 2HD ARG 36 -8.098 12.002 10.101 254 HD3 ARG 36 1HD ARG 36 -7.039 10.607 10.317 255 HE ARG 36 HE ARG 36 -7.082 11.715 7.667 256 HH11 ARG 36 1HH1 ARG 36 -5.474 11.822 10.823 257 HH12 ARG 36 2HH1 ARG 36 -4.040 12.510 10.247 258 HH21 ARG 36 1HH2 ARG 36 -5.081 12.665 6.858 259 HH22 ARG 36 2HH2 ARG 36 -3.797 12.998 7.928 260 H CYS 37 H CYS 37 -8.962 5.569 8.027 261 HA CYS 37 HA CYS 37 -7.398 4.930 5.714 262 HB2 CYS 37 2HB CYS 37 -6.363 4.516 8.509 263 HB3 CYS 37 1HB CYS 37 -5.576 3.939 7.043 264 HG CYS 37 HG CYS 37 -5.960 7.088 6.629 265 H VAL 38 H VAL 38 -8.003 2.888 5.110 266 HA VAL 38 HA VAL 38 -9.780 1.455 6.950 267 HB VAL 38 HB VAL 38 -9.945 2.117 4.070 268 HG11 VAL 38 1HG1 VAL 38 -11.140 0.073 3.427 269 HG12 VAL 38 2HG1 VAL 38 -10.684 -0.670 4.965 270 HG13 VAL 38 3HG1 VAL 38 -9.446 -0.243 3.792 271 HG21 VAL 38 3HG2 VAL 38 -11.561 2.874 5.723 272 HG22 VAL 38 1HG2 VAL 38 -11.952 1.197 6.097 273 HG23 VAL 38 2HG2 VAL 38 -12.327 1.851 4.501 274 H ASN 39 H ASN 39 -9.481 -0.509 7.434 275 HA ASN 39 HA ASN 39 -7.053 -1.815 6.420 276 HB2 ASN 39 2HB ASN 39 -7.320 -3.329 8.463 277 HB3 ASN 39 1HB ASN 39 -6.708 -1.720 8.750 278 HD21 ASN 39 1HD2 ASN 39 -9.270 -3.938 9.267 279 HD22 ASN 39 2HD2 ASN 39 -10.163 -2.915 10.326 280 H VAL 40 H VAL 40 -7.162 -4.229 6.546 281 HA VAL 40 HA VAL 40 -8.563 -4.990 4.342 282 HB VAL 40 HB VAL 40 -6.649 -6.190 5.303 283 HG11 VAL 40 1HG1 VAL 40 -8.621 -7.337 7.261 284 HG12 VAL 40 2HG1 VAL 40 -7.261 -6.278 7.626 285 HG13 VAL 40 3HG1 VAL 40 -6.969 -7.910 7.026 286 HG21 VAL 40 3HG2 VAL 40 -7.912 -7.265 3.547 287 HG22 VAL 40 1HG2 VAL 40 -9.034 -7.940 4.728 288 HG23 VAL 40 2HG2 VAL 40 -7.355 -8.477 4.702 289 H GLU 41 H GLU 41 -9.801 -4.938 7.608 290 HA GLU 41 HA GLU 41 -11.914 -6.761 7.170 291 HB2 GLU 41 2HB GLU 41 -11.331 -4.698 9.196 292 HB3 GLU 41 1HB GLU 41 -12.732 -5.758 9.272 293 HG2 GLU 41 2HG GLU 41 -11.057 -7.665 9.231 294 HG3 GLU 41 1HG GLU 41 -9.818 -6.437 9.498 295 H GLN 42 H GLN 42 -11.577 -3.258 6.980 296 HA GLN 42 HA GLN 42 -14.434 -2.909 6.518 297 HB2 GLN 42 2HB GLN 42 -12.146 -0.944 6.424 298 HB3 GLN 42 1HB GLN 42 -13.857 -0.514 6.277 299 HG2 GLN 42 2HG GLN 42 -14.026 -0.426 8.475 300 HG3 GLN 42 1HG GLN 42 -13.418 -2.079 8.616 301 HE21 GLN 42 1HE2 GLN 42 -12.140 -1.786 10.273 302 HE22 GLN 42 2HE2 GLN 42 -10.733 -0.771 10.259 303 H ALA 43 H ALA 43 -11.425 -2.902 4.895 304 HA ALA 43 HA ALA 43 -12.250 -2.102 2.334 305 HB1 ALA 43 1HB ALA 43 -10.225 -3.177 1.520 306 HB2 ALA 43 2HB ALA 43 -10.056 -4.032 3.049 307 HB3 ALA 43 3HB ALA 43 -9.898 -2.275 3.002 308 H GLN 44 H GLN 44 -12.573 -5.088 4.023 309 HA GLN 44 HA GLN 44 -13.153 -6.882 1.961 310 HB2 GLN 44 2HB GLN 44 -12.849 -7.108 4.589 311 HB3 GLN 44 1HB GLN 44 -14.613 -7.036 4.563 312 HG2 GLN 44 2HG GLN 44 -14.494 -9.249 4.305 313 HG3 GLN 44 1HG GLN 44 -14.013 -8.906 2.646 314 HE21 GLN 44 1HE2 GLN 44 -11.409 -7.734 3.532 315 HE22 GLN 44 2HE2 GLN 44 -10.457 -9.077 4.010 316 H GLU 45 H GLU 45 -15.071 -4.425 3.599 317 HA GLU 45 HA GLU 45 -17.635 -5.128 2.476 318 HB2 GLU 45 2HB GLU 45 -16.663 -2.507 3.602 319 HB3 GLU 45 1HB GLU 45 -18.324 -2.941 3.295 320 HG2 GLU 45 2HG GLU 45 -16.559 -4.253 5.347 321 HG3 GLU 45 1HG GLU 45 -17.800 -3.045 5.673 322 H VAL 46 H VAL 46 -15.211 -2.664 2.075 323 HA VAL 46 HA VAL 46 -16.380 -1.138 0.076 324 HB VAL 46 HB VAL 46 -13.415 -1.452 0.639 325 HG11 VAL 46 1HG1 VAL 46 -13.222 0.814 -0.214 326 HG12 VAL 46 2HG1 VAL 46 -14.955 0.805 -0.570 327 HG13 VAL 46 3HG1 VAL 46 -13.868 -0.287 -1.448 328 HG21 VAL 46 3HG2 VAL 46 -15.410 0.456 1.861 329 HG22 VAL 46 1HG2 VAL 46 -13.668 0.478 2.135 330 HG23 VAL 46 2HG2 VAL 46 -14.625 -0.894 2.681 331 H MET 47 H MET 47 -14.324 -3.969 -0.156 332 HA MET 47 HA MET 47 -13.787 -3.753 -2.899 333 HB2 MET 47 2HB MET 47 -12.964 -6.042 -2.825 334 HB3 MET 47 1HB MET 47 -12.424 -5.164 -1.418 335 HG2 MET 47 2HG MET 47 -12.960 -7.274 -0.611 336 HG3 MET 47 1HG MET 47 -14.357 -6.293 -0.188 337 HE1 MET 47 3HE MET 47 -14.223 -9.399 -3.601 338 HE2 MET 47 1HE MET 47 -12.903 -9.093 -2.478 339 HE3 MET 47 2HE MET 47 -13.336 -7.881 -3.687 340 H ALA 48 H ALA 48 -16.593 -4.891 -1.265 341 HA ALA 48 HA ALA 48 -17.635 -6.085 -3.711 342 HB1 ALA 48 1HB ALA 48 -19.532 -6.761 -2.310 343 HB2 ALA 48 2HB ALA 48 -18.848 -5.859 -0.957 344 HB3 ALA 48 3HB ALA 48 -17.997 -7.261 -1.598 345 H ALA 49 H ALA 49 -17.540 -3.145 -2.122 346 HA ALA 49 HA ALA 49 -20.104 -2.208 -3.098 347 HB1 ALA 49 1HB ALA 49 -19.601 -0.152 -1.877 348 HB2 ALA 49 2HB ALA 49 -17.982 -0.749 -1.528 349 HB3 ALA 49 3HB ALA 49 -19.386 -1.562 -0.837 350 H ALA 50 H ALA 50 -16.588 -1.473 -3.585 351 HA ALA 50 HA ALA 50 -17.338 -0.178 -6.036 352 HB1 ALA 50 1HB ALA 50 -15.555 1.460 -5.491 353 HB2 ALA 50 2HB ALA 50 -15.445 0.750 -3.883 354 HB3 ALA 50 3HB ALA 50 -16.933 1.546 -4.395 355 HA PRO 51 HA PRO 51 -14.180 -3.306 -6.789 356 HB2 PRO 51 2HB PRO 51 -14.701 -3.647 -9.438 357 HB3 PRO 51 1HB PRO 51 -15.612 -4.432 -8.137 358 HG2 PRO 51 2HG PRO 51 -16.340 -2.057 -9.780 359 HG3 PRO 51 1HG PRO 51 -17.368 -3.370 -9.184 360 HD2 PRO 51 2HD PRO 51 -17.184 -0.875 -8.033 361 HD3 PRO 51 1HD PRO 51 -17.710 -2.333 -7.174 362 H LEU 52 H LEU 52 -13.133 -1.134 -6.336 363 HA LEU 52 HA LEU 52 -11.572 -0.333 -8.677 364 HB2 LEU 52 2HB LEU 52 -10.701 1.371 -6.927 365 HB3 LEU 52 1HB LEU 52 -12.167 1.763 -7.766 366 HG LEU 52 HG LEU 52 -13.204 0.557 -5.603 367 HD11 LEU 52 1HD1 LEU 52 -11.971 1.036 -3.583 368 HD12 LEU 52 2HD1 LEU 52 -10.582 1.541 -4.548 369 HD13 LEU 52 3HD1 LEU 52 -11.151 -0.130 -4.619 370 HD21 LEU 52 3HD2 LEU 52 -12.230 3.404 -5.728 371 HD22 LEU 52 1HD2 LEU 52 -13.320 2.771 -4.482 372 HD23 LEU 52 2HD2 LEU 52 -13.829 2.752 -6.157 373 H GLN 53 H GLN 53 -9.197 -0.079 -8.250 374 HA GLN 53 HA GLN 53 -8.297 -2.499 -7.083 375 HB2 GLN 53 2HB GLN 53 -7.656 -0.904 -9.196 376 HB3 GLN 53 1HB GLN 53 -6.372 -0.521 -8.068 377 HG2 GLN 53 2HG GLN 53 -7.180 -3.254 -8.856 378 HG3 GLN 53 1HG GLN 53 -5.900 -2.345 -9.672 379 HE21 GLN 53 1HE2 GLN 53 -4.946 -1.065 -7.319 380 HE22 GLN 53 2HE2 GLN 53 -4.168 -2.237 -6.337 381 H TYR 54 H TYR 54 -6.563 -2.598 -5.400 382 HA TYR 54 HA TYR 54 -6.768 -0.360 -3.464 383 HB2 TYR 54 2HB TYR 54 -6.304 -3.238 -2.686 384 HB3 TYR 54 1HB TYR 54 -6.981 -1.926 -1.720 385 HD1 TYR 54 2HD TYR 54 -9.352 -1.198 -2.138 386 HD2 TYR 54 1HD TYR 54 -7.646 -4.593 -4.054 387 HE1 TYR 54 2HE TYR 54 -11.596 -1.948 -2.828 388 HE2 TYR 54 1HE TYR 54 -9.861 -5.329 -4.755 389 HH TYR 54 HH TYR 54 -12.528 -3.297 -4.627 390 H VAL 55 H VAL 55 -4.866 0.128 -2.274 391 HA VAL 55 HA VAL 55 -2.449 -1.347 -2.928 392 HB VAL 55 HB VAL 55 -2.521 0.770 -4.313 393 HG11 VAL 55 1HG1 VAL 55 -2.196 2.936 -3.223 394 HG12 VAL 55 2HG1 VAL 55 -2.427 2.163 -1.651 395 HG13 VAL 55 3HG1 VAL 55 -3.750 2.199 -2.819 396 HG21 VAL 55 3HG2 VAL 55 -0.228 1.550 -3.681 397 HG22 VAL 55 1HG2 VAL 55 -0.394 -0.205 -3.775 398 HG23 VAL 55 2HG2 VAL 55 -0.354 0.548 -2.218 399 H GLY 56 H GLY 56 -0.852 -1.166 -1.225 400 HA2 GLY 56 2HA GLY 56 -2.017 -0.228 1.334 401 HA3 GLY 56 1HA GLY 56 -1.210 -1.794 1.106 402 H VAL 57 H VAL 57 -0.658 0.781 2.741 403 HA VAL 57 HA VAL 57 2.218 0.785 2.157 404 HB VAL 57 HB VAL 57 0.723 3.268 3.017 405 HG11 VAL 57 1HG1 VAL 57 3.001 3.275 3.694 406 HG12 VAL 57 2HG1 VAL 57 2.760 4.477 2.429 407 HG13 VAL 57 3HG1 VAL 57 3.543 2.945 2.050 408 HG21 VAL 57 3HG2 VAL 57 -0.034 2.807 0.759 409 HG22 VAL 57 1HG2 VAL 57 1.630 2.650 0.200 410 HG23 VAL 57 2HG2 VAL 57 1.032 4.211 0.758 411 H PHE 58 H PHE 58 3.289 0.232 3.984 412 HA PHE 58 HA PHE 58 2.930 1.516 6.395 413 HB2 PHE 58 2HB PHE 58 2.189 -0.317 7.910 414 HB3 PHE 58 1HB PHE 58 0.934 0.102 6.769 415 HD1 PHE 58 1HD PHE 58 0.848 -1.515 4.631 416 HD2 PHE 58 2HD PHE 58 2.622 -2.499 8.377 417 HE1 PHE 58 1HE PHE 58 0.525 -3.910 4.155 418 HE2 PHE 58 2HE PHE 58 2.315 -4.893 7.898 419 HZ PHE 58 HZ PHE 58 1.261 -5.602 5.786 420 H ARG 59 H ARG 59 4.381 0.273 8.167 421 HA ARG 59 HA ARG 59 6.661 -0.463 6.551 422 HB2 ARG 59 2HB ARG 59 8.084 -0.209 8.469 423 HB3 ARG 59 1HB ARG 59 6.991 1.155 8.480 424 HG2 ARG 59 2HG ARG 59 5.687 0.087 10.253 425 HG3 ARG 59 1HG ARG 59 6.788 -1.296 10.220 426 HD2 ARG 59 2HD ARG 59 8.654 0.365 10.661 427 HD3 ARG 59 1HD ARG 59 7.389 1.539 11.010 428 HE ARG 59 HE ARG 59 7.533 -1.007 12.429 429 HH11 ARG 59 1HH1 ARG 59 7.429 2.544 12.550 430 HH12 ARG 59 2HH1 ARG 59 7.518 2.627 14.245 431 HH21 ARG 59 1HH2 ARG 59 7.672 -0.887 14.760 432 HH22 ARG 59 2HH2 ARG 59 7.642 0.626 15.535 433 H ASN 60 H ASN 60 7.228 -2.472 6.191 434 HA ASN 60 HA ASN 60 5.423 -4.409 7.282 435 HB2 ASN 60 2HB ASN 60 7.245 -4.561 4.872 436 HB3 ASN 60 1HB ASN 60 6.087 -5.784 5.372 437 HD21 ASN 60 1HD2 ASN 60 6.176 -4.430 2.854 438 HD22 ASN 60 2HD2 ASN 60 4.692 -3.541 2.716 439 H HIS 61 H HIS 61 6.125 -5.356 8.769 440 HA HIS 61 HA HIS 61 8.981 -6.030 9.182 441 HB2 HIS 61 2HB HIS 61 6.773 -6.918 11.047 442 HB3 HIS 61 1HB HIS 61 8.464 -6.661 11.402 443 HD1 HIS 61 1HD HIS 61 5.200 -5.104 11.622 444 HD2 HIS 61 2HD HIS 61 9.151 -3.830 11.597 445 HE1 HIS 61 1HE HIS 61 5.184 -2.779 12.595 446 H ASP 62 H ASP 62 5.817 -7.585 9.362 447 HA ASP 62 HA ASP 62 6.966 -10.213 8.935 448 HB2 ASP 62 2HB ASP 62 4.167 -9.338 9.648 449 HB3 ASP 62 1HB ASP 62 4.635 -11.010 9.392 450 H ILE 63 H ILE 63 7.223 -10.880 6.947 451 HA ILE 63 HA ILE 63 5.854 -9.797 4.730 452 HB ILE 63 HB ILE 63 8.091 -10.789 4.512 453 HG12 ILE 63 2HG1 ILE 63 6.220 -12.500 2.866 454 HG13 ILE 63 1HG1 ILE 63 6.394 -10.771 2.588 455 HG21 ILE 63 1HG2 ILE 63 6.740 -13.421 5.072 456 HG22 ILE 63 2HG2 ILE 63 7.859 -12.587 6.139 457 HG23 ILE 63 3HG2 ILE 63 8.430 -13.223 4.589 458 HD11 ILE 63 3HD1 ILE 63 7.782 -12.094 1.078 459 HD12 ILE 63 1HD1 ILE 63 8.580 -12.834 2.463 460 HD13 ILE 63 2HD1 ILE 63 8.763 -11.107 2.137 461 H ALA 64 H ALA 64 5.140 -12.430 6.861 462 HA ALA 64 HA ALA 64 3.304 -13.782 5.186 463 HB1 ALA 64 1HB ALA 64 3.488 -13.743 8.198 464 HB2 ALA 64 2HB ALA 64 4.370 -14.832 7.132 465 HB3 ALA 64 3HB ALA 64 2.612 -14.928 7.229 466 H ASP 65 H ASP 65 3.158 -10.944 7.041 467 HA ASP 65 HA ASP 65 0.272 -10.946 7.441 468 HB2 ASP 65 2HB ASP 65 1.949 -9.865 9.007 469 HB3 ASP 65 1HB ASP 65 2.209 -8.657 7.770 470 H VAL 66 H VAL 66 2.726 -9.372 5.533 471 HA VAL 66 HA VAL 66 1.089 -7.681 4.005 472 HB VAL 66 HB VAL 66 3.671 -8.986 3.096 473 HG11 VAL 66 1HG1 VAL 66 2.453 -7.879 1.304 474 HG12 VAL 66 2HG1 VAL 66 3.923 -6.983 1.700 475 HG13 VAL 66 3HG1 VAL 66 2.357 -6.406 2.266 476 HG21 VAL 66 3HG2 VAL 66 4.026 -7.927 5.252 477 HG22 VAL 66 1HG2 VAL 66 3.283 -6.439 4.661 478 HG23 VAL 66 2HG2 VAL 66 4.807 -6.996 3.973 479 H VAL 67 H VAL 67 2.316 -10.957 3.456 480 HA VAL 67 HA VAL 67 1.108 -11.387 0.942 481 HB VAL 67 HB VAL 67 1.790 -13.467 3.067 482 HG11 VAL 67 1HG1 VAL 67 1.755 -15.113 1.243 483 HG12 VAL 67 2HG1 VAL 67 1.218 -13.863 0.122 484 HG13 VAL 67 3HG1 VAL 67 0.172 -14.363 1.451 485 HG21 VAL 67 3HG2 VAL 67 3.796 -13.868 1.736 486 HG22 VAL 67 1HG2 VAL 67 3.731 -12.201 2.301 487 HG23 VAL 67 2HG2 VAL 67 3.329 -12.585 0.625 488 H ASP 68 H ASP 68 -0.033 -11.942 4.213 489 HA ASP 68 HA ASP 68 -2.464 -13.158 3.716 490 HB2 ASP 68 2HB ASP 68 -1.646 -12.936 5.982 491 HB3 ASP 68 1HB ASP 68 -1.702 -11.184 5.877 492 H LYS 69 H LYS 69 -1.910 -9.701 4.180 493 HA LYS 69 HA LYS 69 -4.584 -8.948 3.594 494 HB2 LYS 69 2HB LYS 69 -2.125 -7.213 3.305 495 HB3 LYS 69 1HB LYS 69 -3.781 -6.668 3.525 496 HG2 LYS 69 2HG LYS 69 -2.106 -8.147 5.534 497 HG3 LYS 69 1HG LYS 69 -2.532 -6.433 5.567 498 HD2 LYS 69 2HD LYS 69 -4.867 -6.990 5.817 499 HD3 LYS 69 1HD LYS 69 -4.499 -8.711 5.678 500 HE2 LYS 69 2HE LYS 69 -3.568 -6.842 7.819 501 HE3 LYS 69 1HE LYS 69 -4.831 -8.053 7.989 502 HZ1 LYS 69 3HZ LYS 69 -3.081 -9.746 7.385 503 HZ2 LYS 69 1HZ LYS 69 -2.849 -9.003 8.881 504 HZ3 LYS 69 2HZ LYS 69 -1.918 -8.514 7.602 505 H ALA 70 H ALA 70 -1.657 -8.903 1.633 506 HA ALA 70 HA ALA 70 -2.738 -7.713 -0.633 507 HB1 ALA 70 1HB ALA 70 -0.331 -7.953 -0.133 508 HB2 ALA 70 2HB ALA 70 -0.778 -8.406 -1.766 509 HB3 ALA 70 3HB ALA 70 -0.448 -9.663 -0.564 510 H LYS 71 H LYS 71 -2.777 -11.001 0.443 511 HA LYS 71 HA LYS 71 -3.839 -12.014 -2.027 512 HB2 LYS 71 2HB LYS 71 -2.443 -13.457 -0.768 513 HB3 LYS 71 1HB LYS 71 -3.378 -13.163 0.691 514 HG2 LYS 71 2HG LYS 71 -5.260 -14.329 -0.281 515 HG3 LYS 71 1HG LYS 71 -4.331 -14.637 -1.741 516 HD2 LYS 71 2HD LYS 71 -4.329 -16.583 -0.227 517 HD3 LYS 71 1HD LYS 71 -2.704 -15.927 -0.503 518 HE2 LYS 71 2HE LYS 71 -2.993 -16.540 1.826 519 HE3 LYS 71 1HE LYS 71 -2.823 -14.801 1.697 520 HZ1 LYS 71 3HZ LYS 71 -5.344 -16.323 2.122 521 HZ2 LYS 71 1HZ LYS 71 -5.299 -14.667 1.874 522 HZ3 LYS 71 2HZ LYS 71 -4.573 -15.366 3.233 523 H VAL 72 H VAL 72 -5.073 -11.747 1.300 524 HA VAL 72 HA VAL 72 -7.695 -12.576 0.893 525 HB VAL 72 HB VAL 72 -6.840 -10.439 2.878 526 HG11 VAL 72 1HG1 VAL 72 -8.833 -11.089 4.154 527 HG12 VAL 72 2HG1 VAL 72 -9.298 -12.187 2.853 528 HG13 VAL 72 3HG1 VAL 72 -9.258 -10.450 2.564 529 HG21 VAL 72 3HG2 VAL 72 -7.045 -13.439 3.166 530 HG22 VAL 72 1HG2 VAL 72 -6.792 -12.295 4.496 531 HG23 VAL 72 2HG2 VAL 72 -5.588 -12.428 3.230 532 H LEU 73 H LEU 73 -6.713 -9.088 0.972 533 HA LEU 73 HA LEU 73 -9.248 -8.388 -0.123 534 HB2 LEU 73 2HB LEU 73 -8.081 -7.027 1.512 535 HB3 LEU 73 1HB LEU 73 -6.745 -6.810 0.405 536 HG LEU 73 HG LEU 73 -8.279 -5.575 -1.110 537 HD11 LEU 73 1HD1 LEU 73 -10.427 -4.823 -0.229 538 HD12 LEU 73 2HD1 LEU 73 -10.193 -5.837 1.199 539 HD13 LEU 73 3HD1 LEU 73 -10.365 -6.579 -0.391 540 HD21 LEU 73 3HD2 LEU 73 -8.340 -3.554 0.281 541 HD22 LEU 73 1HD2 LEU 73 -6.812 -4.422 0.445 542 HD23 LEU 73 2HD2 LEU 73 -8.029 -4.548 1.710 543 H SER 74 H SER 74 -6.232 -9.359 -1.359 544 HA SER 74 HA SER 74 -5.188 -9.372 -3.286 545 HB2 SER 74 2HB SER 74 -7.199 -10.597 -4.054 546 HB3 SER 74 1HB SER 74 -7.949 -9.072 -4.515 547 HG SER 74 HG SER 74 -6.157 -8.787 -5.962 548 H LEU 75 H LEU 75 -4.118 -7.467 -2.664 549 HA LEU 75 HA LEU 75 -4.833 -4.917 -3.506 550 HB2 LEU 75 2HB LEU 75 -2.426 -6.308 -2.461 551 HB3 LEU 75 1HB LEU 75 -2.410 -4.623 -2.890 552 HG LEU 75 HG LEU 75 -2.627 -5.449 -0.602 553 HD11 LEU 75 1HD1 LEU 75 -4.083 -3.426 0.057 554 HD12 LEU 75 2HD1 LEU 75 -4.481 -3.293 -1.664 555 HD13 LEU 75 3HD1 LEU 75 -2.818 -3.080 -1.119 556 HD21 LEU 75 3HD2 LEU 75 -4.487 -6.908 -0.676 557 HD22 LEU 75 1HD2 LEU 75 -5.544 -5.614 -1.238 558 HD23 LEU 75 2HD2 LEU 75 -4.884 -5.576 0.408 559 H ALA 76 H ALA 76 -2.566 -3.899 -4.580 560 HA ALA 76 HA ALA 76 -1.667 -5.559 -6.762 561 HB1 ALA 76 1HB ALA 76 -3.089 -3.806 -7.767 562 HB2 ALA 76 2HB ALA 76 -1.387 -3.528 -8.133 563 HB3 ALA 76 3HB ALA 76 -2.185 -2.577 -6.885 564 H ALA 77 H ALA 77 -1.018 -2.368 -5.391 565 HA ALA 77 HA ALA 77 1.643 -3.427 -5.111 566 HB1 ALA 77 1HB ALA 77 0.731 -0.596 -5.307 567 HB2 ALA 77 2HB ALA 77 1.495 -1.599 -6.544 568 HB3 ALA 77 3HB ALA 77 2.390 -1.157 -5.098 569 H VAL 78 H VAL 78 2.827 -2.827 -3.363 570 HA VAL 78 HA VAL 78 1.399 -1.863 -1.029 571 HB VAL 78 HB VAL 78 1.420 -4.308 -0.797 572 HG11 VAL 78 1HG1 VAL 78 3.683 -5.494 -0.588 573 HG12 VAL 78 2HG1 VAL 78 4.375 -3.998 -1.292 574 HG13 VAL 78 3HG1 VAL 78 3.227 -4.943 -2.203 575 HG21 VAL 78 3HG2 VAL 78 2.633 -4.533 1.359 576 HG22 VAL 78 1HG2 VAL 78 1.691 -3.041 1.263 577 HG23 VAL 78 2HG2 VAL 78 3.436 -2.998 1.026 578 H GLN 79 H GLN 79 2.808 -0.522 0.247 579 HA GLN 79 HA GLN 79 5.252 0.036 -1.092 580 HB2 GLN 79 2HB GLN 79 3.333 1.524 0.521 581 HB3 GLN 79 1HB GLN 79 4.997 2.055 0.557 582 HG2 GLN 79 2HG GLN 79 3.822 3.283 -1.119 583 HG3 GLN 79 1HG GLN 79 4.934 2.181 -1.925 584 HE21 GLN 79 1HE2 GLN 79 4.001 0.254 -2.983 585 HE22 GLN 79 2HE2 GLN 79 2.356 0.318 -3.462 586 H LEU 80 H LEU 80 7.094 -0.098 -0.276 587 HA LEU 80 HA LEU 80 7.322 -1.348 2.344 588 HB2 LEU 80 2HB LEU 80 8.827 -1.574 -0.199 589 HB3 LEU 80 1HB LEU 80 9.731 -1.734 1.284 590 HG LEU 80 HG LEU 80 9.079 -3.901 0.293 591 HD11 LEU 80 1HD1 LEU 80 9.537 -3.733 2.650 592 HD12 LEU 80 2HD1 LEU 80 8.259 -4.907 2.348 593 HD13 LEU 80 3HD1 LEU 80 7.857 -3.307 2.973 594 HD21 LEU 80 3HD2 LEU 80 6.264 -3.064 0.991 595 HD22 LEU 80 1HD2 LEU 80 6.746 -4.652 0.410 596 HD23 LEU 80 2HD2 LEU 80 6.888 -3.247 -0.642 597 H HIS 81 H HIS 81 7.793 0.097 3.865 598 HA HIS 81 HA HIS 81 9.746 2.147 3.309 599 HB2 HIS 81 2HB HIS 81 8.565 1.216 5.965 600 HB3 HIS 81 1HB HIS 81 9.750 2.505 5.822 601 HD1 HIS 81 1HD HIS 81 8.855 4.858 4.865 602 HD2 HIS 81 2HD HIS 81 5.966 1.873 5.286 603 HE1 HIS 81 1HE HIS 81 6.657 5.995 4.696 604 H GLY 82 H GLY 82 11.511 1.335 2.712 605 HA2 GLY 82 2HA GLY 82 12.445 -1.227 3.078 606 HA3 GLY 82 1HA GLY 82 13.419 0.093 2.481 607 H ASN 83 H ASN 83 12.691 1.101 5.383 608 HA ASN 83 HA ASN 83 15.117 1.065 6.597 609 HB2 ASN 83 2HB ASN 83 13.252 2.411 7.380 610 HB3 ASN 83 1HB ASN 83 12.426 0.974 7.963 611 HD21 ASN 83 1HD2 ASN 83 13.067 0.075 9.955 612 HD22 ASN 83 2HD2 ASN 83 14.187 0.875 10.985 613 H GLU 84 H GLU 84 12.913 -1.670 6.616 614 HA GLU 84 HA GLU 84 13.960 -2.987 8.893 615 HB2 GLU 84 2HB GLU 84 11.719 -3.426 7.936 616 HB3 GLU 84 1HB GLU 84 12.479 -4.173 6.543 617 HG2 GLU 84 2HG GLU 84 11.649 -5.835 8.121 618 HG3 GLU 84 1HG GLU 84 13.406 -5.920 7.963 619 H GLU 85 H GLU 85 14.642 -3.471 5.409 620 HA GLU 85 HA GLU 85 17.350 -4.127 5.713 621 HB2 GLU 85 2HB GLU 85 15.847 -6.219 6.601 622 HB3 GLU 85 1HB GLU 85 15.887 -6.575 4.882 623 HG2 GLU 85 2HG GLU 85 18.340 -6.076 6.522 624 HG3 GLU 85 1HG GLU 85 17.637 -7.668 6.287 625 H GLN 86 H GLN 86 18.228 -4.644 3.457 626 HA GLN 86 HA GLN 86 16.664 -3.199 1.606 627 HB2 GLN 86 2HB GLN 86 19.364 -4.503 1.475 628 HB3 GLN 86 1HB GLN 86 18.636 -3.635 0.154 629 HG2 GLN 86 2HG GLN 86 20.263 -2.217 1.212 630 HG3 GLN 86 1HG GLN 86 18.670 -1.569 1.576 631 HE21 GLN 86 1HE2 GLN 86 17.974 -1.570 3.715 632 HE22 GLN 86 2HE2 GLN 86 19.007 -1.949 5.035 633 H LEU 87 H LEU 87 17.937 -6.366 2.079 634 HA LEU 87 HA LEU 87 17.084 -7.397 -0.427 635 HB2 LEU 87 2HB LEU 87 18.225 -8.745 1.990 636 HB3 LEU 87 1HB LEU 87 18.016 -9.500 0.416 637 HG LEU 87 HG LEU 87 19.653 -7.033 0.812 638 HD11 LEU 87 1HD1 LEU 87 20.551 -9.912 0.852 639 HD12 LEU 87 2HD1 LEU 87 20.572 -8.750 2.191 640 HD13 LEU 87 3HD1 LEU 87 21.622 -8.499 0.799 641 HD21 LEU 87 3HD2 LEU 87 19.553 -9.093 -1.377 642 HD22 LEU 87 1HD2 LEU 87 20.682 -7.734 -1.295 643 HD23 LEU 87 2HD2 LEU 87 18.953 -7.432 -1.432 644 H TYR 88 H TYR 88 15.715 -6.973 2.594 645 HA TYR 88 HA TYR 88 13.829 -9.052 2.663 646 HB2 TYR 88 2HB TYR 88 14.149 -7.749 4.637 647 HB3 TYR 88 1HB TYR 88 13.789 -6.251 3.791 648 HD1 TYR 88 2HD TYR 88 12.095 -9.550 4.447 649 HD2 TYR 88 1HD TYR 88 11.778 -5.311 4.279 650 HE1 TYR 88 2HE TYR 88 9.759 -9.709 5.153 651 HE2 TYR 88 1HE TYR 88 9.437 -5.456 5.002 652 HH TYR 88 HH TYR 88 8.156 -8.187 6.356 653 H ILE 89 H ILE 89 13.870 -5.972 0.971 654 HA ILE 89 HA ILE 89 11.173 -6.024 0.090 655 HB ILE 89 HB ILE 89 13.634 -4.589 -0.910 656 HG12 ILE 89 2HG1 ILE 89 12.307 -2.541 -0.264 657 HG13 ILE 89 1HG1 ILE 89 11.087 -3.622 0.386 658 HG21 ILE 89 1HG2 ILE 89 12.306 -5.010 -2.906 659 HG22 ILE 89 2HG2 ILE 89 12.199 -3.295 -2.476 660 HG23 ILE 89 3HG2 ILE 89 10.869 -4.393 -2.091 661 HD11 ILE 89 3HD1 ILE 89 13.909 -3.273 1.327 662 HD12 ILE 89 1HD1 ILE 89 12.798 -4.517 1.917 663 HD13 ILE 89 2HD1 ILE 89 12.403 -2.827 2.148 664 H ASP 90 H ASP 90 14.080 -7.402 -1.035 665 HA ASP 90 HA ASP 90 13.251 -8.286 -3.599 666 HB2 ASP 90 2HB ASP 90 15.570 -7.978 -2.807 667 HB3 ASP 90 1HB ASP 90 15.370 -9.348 -1.754 668 H THR 91 H THR 91 12.536 -9.196 -0.530 669 HA THR 91 HA THR 91 12.114 -12.054 -0.970 670 HB THR 91 HB THR 91 11.848 -10.316 1.482 671 HG1 THR 91 1HG THR 91 13.918 -11.455 0.258 672 HG21 THR 91 3HG2 THR 91 11.646 -12.379 2.747 673 HG22 THR 91 1HG2 THR 91 11.740 -13.322 1.232 674 HG23 THR 91 2HG2 THR 91 10.401 -12.196 1.511 675 H LEU 92 H LEU 92 10.307 -9.183 0.024 676 HA LEU 92 HA LEU 92 7.794 -10.078 0.241 677 HB2 LEU 92 2HB LEU 92 8.728 -7.494 -0.938 678 HB3 LEU 92 1HB LEU 92 7.027 -7.879 -0.970 679 HG LEU 92 HG LEU 92 7.434 -6.444 0.885 680 HD11 LEU 92 1HD1 LEU 92 5.863 -8.305 1.239 681 HD12 LEU 92 2HD1 LEU 92 6.667 -7.756 2.723 682 HD13 LEU 92 3HD1 LEU 92 7.242 -9.208 1.890 683 HD21 LEU 92 3HD2 LEU 92 9.481 -8.435 1.712 684 HD22 LEU 92 1HD2 LEU 92 8.949 -7.063 2.686 685 HD23 LEU 92 2HD2 LEU 92 9.775 -6.780 1.155 686 H ARG 93 H ARG 93 9.181 -9.047 -2.780 687 HA ARG 93 HA ARG 93 6.843 -9.839 -4.199 688 HB2 ARG 93 2HB ARG 93 8.623 -9.739 -6.176 689 HB3 ARG 93 1HB ARG 93 7.628 -8.361 -5.669 690 HG2 ARG 93 2HG ARG 93 9.857 -7.583 -5.903 691 HG3 ARG 93 1HG ARG 93 9.615 -7.780 -4.170 692 HD2 ARG 93 2HD ARG 93 11.720 -8.605 -4.792 693 HD3 ARG 93 1HD ARG 93 10.697 -9.941 -4.273 694 HE ARG 93 HE ARG 93 10.408 -9.698 -7.039 695 HH11 ARG 93 1HH1 ARG 93 12.916 -10.816 -4.804 696 HH12 ARG 93 2HH1 ARG 93 13.814 -11.577 -6.023 697 HH21 ARG 93 1HH2 ARG 93 11.639 -10.766 -8.660 698 HH22 ARG 93 2HH2 ARG 93 13.087 -11.561 -8.245 699 H GLU 94 H GLU 94 9.100 -11.748 -3.042 700 HA GLU 94 HA GLU 94 8.843 -13.835 -5.090 701 HB2 GLU 94 2HB GLU 94 10.038 -14.107 -2.329 702 HB3 GLU 94 1HB GLU 94 10.210 -15.241 -3.663 703 HG2 GLU 94 2HG GLU 94 11.426 -13.507 -4.913 704 HG3 GLU 94 1HG GLU 94 11.267 -12.466 -3.494 705 H ALA 95 H ALA 95 7.652 -12.988 -1.961 706 HA ALA 95 HA ALA 95 6.095 -15.444 -1.739 707 HB1 ALA 95 1HB ALA 95 7.319 -14.594 0.231 708 HB2 ALA 95 2HB ALA 95 5.595 -14.824 0.511 709 HB3 ALA 95 3HB ALA 95 6.233 -13.201 0.247 710 H LEU 96 H LEU 96 5.656 -12.410 -2.793 711 HA LEU 96 HA LEU 96 2.743 -12.258 -2.347 712 HB2 LEU 96 2HB LEU 96 4.660 -10.381 -3.725 713 HB3 LEU 96 1HB LEU 96 2.938 -10.104 -3.530 714 HG LEU 96 HG LEU 96 4.867 -10.398 -1.227 715 HD11 LEU 96 1HD1 LEU 96 4.613 -7.996 -0.921 716 HD12 LEU 96 2HD1 LEU 96 3.674 -7.902 -2.410 717 HD13 LEU 96 3HD1 LEU 96 5.365 -8.390 -2.466 718 HD21 LEU 96 3HD2 LEU 96 3.029 -9.530 0.112 719 HD22 LEU 96 1HD2 LEU 96 2.577 -11.034 -0.684 720 HD23 LEU 96 2HD2 LEU 96 1.991 -9.494 -1.314 721 HA PRO 97 HA PRO 97 1.528 -14.179 -6.014 722 HB2 PRO 97 2HB PRO 97 -0.905 -12.958 -6.310 723 HB3 PRO 97 1HB PRO 97 -0.621 -14.290 -5.192 724 HG2 PRO 97 2HG PRO 97 -0.745 -11.371 -4.693 725 HG3 PRO 97 1HG PRO 97 -1.381 -12.698 -3.698 726 HD2 PRO 97 2HD PRO 97 0.913 -11.392 -3.095 727 HD3 PRO 97 1HD PRO 97 0.683 -13.112 -2.728 728 H ALA 98 H ALA 98 0.736 -13.578 -8.183 729 HA ALA 98 HA ALA 98 2.533 -11.702 -9.317 730 HB1 ALA 98 1HB ALA 98 0.208 -13.091 -10.638 731 HB2 ALA 98 2HB ALA 98 1.838 -13.743 -10.472 732 HB3 ALA 98 3HB ALA 98 1.558 -12.307 -11.457 733 H HIS 99 H HIS 99 -0.419 -11.191 -7.934 734 HA HIS 99 HA HIS 99 -1.338 -9.025 -9.620 735 HB2 HIS 99 2HB HIS 99 -2.205 -9.760 -6.820 736 HB3 HIS 99 1HB HIS 99 -3.088 -8.720 -7.939 737 HD1 HIS 99 1HD HIS 99 -3.774 -11.664 -6.462 738 HD2 HIS 99 2HD HIS 99 -3.081 -10.671 -10.396 739 HE1 HIS 99 1HE HIS 99 -4.774 -13.521 -7.773 740 H VAL 100 H VAL 100 0.738 -9.496 -6.750 741 HA VAL 100 HA VAL 100 0.356 -6.805 -5.996 742 HB VAL 100 HB VAL 100 1.754 -9.125 -4.738 743 HG11 VAL 100 1HG1 VAL 100 1.657 -7.759 -2.714 744 HG12 VAL 100 2HG1 VAL 100 1.009 -6.426 -3.706 745 HG13 VAL 100 3HG1 VAL 100 2.642 -7.060 -4.017 746 HG21 VAL 100 3HG2 VAL 100 -0.681 -9.356 -5.043 747 HG22 VAL 100 1HG2 VAL 100 -0.919 -7.914 -4.073 748 HG23 VAL 100 2HG2 VAL 100 -0.183 -9.368 -3.358 749 H ALA 101 H ALA 101 1.855 -5.288 -6.087 750 HA ALA 101 HA ALA 101 4.569 -5.930 -7.027 751 HB1 ALA 101 1HB ALA 101 3.273 -4.768 -8.771 752 HB2 ALA 101 2HB ALA 101 4.554 -3.733 -8.138 753 HB3 ALA 101 3HB ALA 101 2.886 -3.490 -7.618 754 H ILE 102 H ILE 102 6.087 -4.069 -6.311 755 HA ILE 102 HA ILE 102 5.393 -3.265 -3.583 756 HB ILE 102 HB ILE 102 8.049 -4.062 -4.794 757 HG12 ILE 102 2HG1 ILE 102 8.315 -5.582 -2.837 758 HG13 ILE 102 1HG1 ILE 102 6.712 -5.127 -2.260 759 HG21 ILE 102 1HG2 ILE 102 7.559 -2.487 -2.333 760 HG22 ILE 102 2HG2 ILE 102 8.514 -2.114 -3.754 761 HG23 ILE 102 3HG2 ILE 102 9.095 -3.353 -2.607 762 HD11 ILE 102 3HD1 ILE 102 6.997 -7.323 -3.386 763 HD12 ILE 102 1HD1 ILE 102 7.302 -6.455 -4.873 764 HD13 ILE 102 2HD1 ILE 102 5.716 -6.307 -4.086 765 H TRP 103 H TRP 103 5.511 -1.085 -3.267 766 HA TRP 103 HA TRP 103 7.163 0.329 -5.251 767 HB2 TRP 103 2HB TRP 103 4.819 1.591 -3.799 768 HB3 TRP 103 1HB TRP 103 5.879 2.385 -4.946 769 HD1 TRP 103 HD TRP 103 5.521 -0.457 -6.865 770 HE1 TRP 103 1HE TRP 103 3.456 -0.478 -8.339 771 HE3 TRP 103 3HE TRP 103 2.925 3.088 -4.465 772 HZ2 TRP 103 2HZ TRP 103 0.978 0.901 -8.487 773 HZ3 TRP 103 3HZ TRP 103 0.659 3.763 -5.325 774 HH2 TRP 103 HH TRP 103 -0.282 2.671 -7.302 775 H LYS 104 H LYS 104 8.385 2.037 -4.468 776 HA LYS 104 HA LYS 104 9.124 1.527 -1.698 777 HB2 LYS 104 2HB LYS 104 10.810 1.201 -3.579 778 HB3 LYS 104 1HB LYS 104 10.730 2.924 -3.859 779 HG2 LYS 104 2HG LYS 104 11.647 1.682 -1.254 780 HG3 LYS 104 1HG LYS 104 12.727 2.147 -2.560 781 HD2 LYS 104 2HD LYS 104 12.015 4.471 -2.329 782 HD3 LYS 104 1HD LYS 104 10.873 4.007 -1.074 783 HE2 LYS 104 2HE LYS 104 12.812 4.937 -0.022 784 HE3 LYS 104 1HE LYS 104 12.796 3.202 0.280 785 HZ1 LYS 104 3HZ LYS 104 14.424 3.004 -1.626 786 HZ2 LYS 104 1HZ LYS 104 14.997 3.878 -0.311 787 HZ3 LYS 104 2HZ LYS 104 14.521 4.688 -1.621 788 H ALA 105 H ALA 105 8.331 2.890 -0.353 789 HA ALA 105 HA ALA 105 7.405 5.515 -1.004 790 HB1 ALA 105 1HB ALA 105 6.428 4.265 0.873 791 HB2 ALA 105 2HB ALA 105 7.175 5.747 1.476 792 HB3 ALA 105 3HB ALA 105 8.000 4.203 1.664 793 H LEU 106 H LEU 106 8.883 6.937 -1.675 794 HA LEU 106 HA LEU 106 11.616 6.563 -0.978 795 HB2 LEU 106 2HB LEU 106 10.744 7.099 -3.258 796 HB3 LEU 106 1HB LEU 106 10.360 8.697 -2.671 797 HG LEU 106 HG LEU 106 12.746 9.156 -2.298 798 HD11 LEU 106 1HD1 LEU 106 13.154 6.384 -3.430 799 HD12 LEU 106 2HD1 LEU 106 13.521 6.896 -1.778 800 HD13 LEU 106 3HD1 LEU 106 14.425 7.563 -3.133 801 HD21 LEU 106 3HD2 LEU 106 12.147 8.059 -5.041 802 HD22 LEU 106 1HD2 LEU 106 13.430 9.198 -4.638 803 HD23 LEU 106 2HD2 LEU 106 11.737 9.671 -4.463 804 H SER 107 H SER 107 11.890 7.037 1.084 805 HA SER 107 HA SER 107 11.001 9.187 2.536 806 HB2 SER 107 2HB SER 107 13.607 7.703 2.842 807 HB3 SER 107 1HB SER 107 12.624 8.438 4.114 808 HG SER 107 HG SER 107 10.942 6.904 3.516 809 H VAL 108 H VAL 108 12.012 11.160 3.097 810 HA VAL 108 HA VAL 108 13.407 12.456 1.005 811 HB VAL 108 HB VAL 108 13.542 14.413 2.488 812 HG11 VAL 108 1HG1 VAL 108 11.133 14.773 2.804 813 HG12 VAL 108 2HG1 VAL 108 10.856 13.053 2.536 814 HG13 VAL 108 3HG1 VAL 108 11.502 14.050 1.237 815 HG21 VAL 108 3HG2 VAL 108 13.978 13.304 4.621 816 HG22 VAL 108 1HG2 VAL 108 12.359 12.606 4.611 817 HG23 VAL 108 2HG2 VAL 108 12.568 14.350 4.757 818 H GLY 109 H GLY 109 15.476 13.555 1.167 819 HA2 GLY 109 2HA GLY 109 17.478 13.472 2.820 820 HA3 GLY 109 1HA GLY 109 17.431 11.773 2.364 821 H GLU 110 H GLU 110 18.932 14.566 1.686 822 HA GLU 110 HA GLU 110 19.008 14.399 -1.162 823 HB2 GLU 110 2HB GLU 110 20.816 15.889 0.753 824 HB3 GLU 110 1HB GLU 110 20.849 16.070 -0.995 825 HG2 GLU 110 2HG GLU 110 18.518 16.870 -0.934 826 HG3 GLU 110 1HG GLU 110 18.537 16.733 0.822 827 H THR 111 H THR 111 21.012 13.164 1.462 828 HA THR 111 HA THR 111 22.766 11.916 -0.450 829 HB THR 111 HB THR 111 23.697 10.874 1.716 830 HG1 THR 111 1HG THR 111 21.922 11.358 3.052 831 HG21 THR 111 3HG2 THR 111 23.797 13.870 1.328 832 HG22 THR 111 1HG2 THR 111 24.815 12.692 0.500 833 HG23 THR 111 2HG2 THR 111 24.968 12.915 2.240 834 H LEU 112 H LEU 112 21.270 10.608 -1.539 835 HA LEU 112 HA LEU 112 20.376 8.314 0.001 836 HB2 LEU 112 2HB LEU 112 18.614 10.094 -0.464 837 HB3 LEU 112 1HB LEU 112 18.787 9.690 -2.154 838 HG LEU 112 HG LEU 112 18.055 7.372 -1.632 839 HD11 LEU 112 1HD1 LEU 112 18.707 7.304 0.719 840 HD12 LEU 112 2HD1 LEU 112 16.985 6.969 0.546 841 HD13 LEU 112 3HD1 LEU 112 17.528 8.559 1.092 842 HD21 LEU 112 3HD2 LEU 112 16.500 9.050 -2.457 843 HD22 LEU 112 1HD2 LEU 112 16.196 9.591 -0.807 844 HD23 LEU 112 2HD2 LEU 112 15.709 7.970 -1.306 845 HA PRO 113 HA PRO 113 22.548 6.389 -3.444 846 HB2 PRO 113 2HB PRO 113 21.068 3.936 -2.762 847 HB3 PRO 113 1HB PRO 113 22.806 4.239 -2.746 848 HG2 PRO 113 2HG PRO 113 21.422 3.980 -0.468 849 HG3 PRO 113 1HG PRO 113 22.780 5.108 -0.613 850 HD2 PRO 113 2HD PRO 113 19.840 5.671 -0.716 851 HD3 PRO 113 1HD PRO 113 21.150 6.556 0.104 852 H ALA 114 H ALA 114 22.148 5.613 -5.531 853 HA ALA 114 HA ALA 114 19.715 6.315 -6.779 854 HB1 ALA 114 1HB ALA 114 21.916 4.524 -7.819 855 HB2 ALA 114 2HB ALA 114 21.857 6.279 -7.978 856 HB3 ALA 114 3HB ALA 114 20.654 5.281 -8.793 857 H ARG 115 H ARG 115 20.973 3.290 -5.577 858 HA ARG 115 HA ARG 115 18.271 2.298 -5.637 859 HB2 ARG 115 2HB ARG 115 19.178 -0.050 -6.059 860 HB3 ARG 115 1HB ARG 115 19.033 1.013 -7.439 861 HG2 ARG 115 2HG ARG 115 21.357 1.298 -7.596 862 HG3 ARG 115 1HG ARG 115 21.626 0.667 -5.971 863 HD2 ARG 115 2HD ARG 115 22.190 -0.902 -7.888 864 HD3 ARG 115 1HD ARG 115 21.139 -1.541 -6.631 865 HE ARG 115 HE ARG 115 19.507 -0.514 -8.646 866 HH11 ARG 115 1HH1 ARG 115 21.935 -3.086 -8.382 867 HH12 ARG 115 2HH1 ARG 115 21.074 -4.172 -9.366 868 HH21 ARG 115 1HH2 ARG 115 18.325 -2.054 -10.006 869 HH22 ARG 115 2HH2 ARG 115 19.028 -3.582 -10.305 870 H GLU 116 H GLU 116 17.637 1.742 -3.807 871 HA GLU 116 HA GLU 116 19.562 0.987 -1.693 872 HB2 GLU 116 2HB GLU 116 16.728 2.025 -1.459 873 HB3 GLU 116 1HB GLU 116 17.818 1.669 -0.144 874 HG2 GLU 116 2HG GLU 116 19.045 3.583 -0.469 875 HG3 GLU 116 1HG GLU 116 18.524 3.753 -2.151 876 H PHE 117 H PHE 117 16.299 0.640 -2.978 877 HA PHE 117 HA PHE 117 16.274 -2.184 -2.254 878 HB2 PHE 117 2HB PHE 117 13.866 -0.338 -2.184 879 HB3 PHE 117 1HB PHE 117 13.995 -1.976 -1.538 880 HD1 PHE 117 1HD PHE 117 15.838 -2.281 0.234 881 HD2 PHE 117 2HD PHE 117 14.080 1.422 -0.725 882 HE1 PHE 117 1HE PHE 117 16.616 -1.348 2.421 883 HE2 PHE 117 2HE PHE 117 14.832 2.371 1.412 884 HZ PHE 117 HZ PHE 117 16.110 0.983 2.985 885 H GLN 118 H GLN 118 16.364 -3.145 -4.119 886 HA GLN 118 HA GLN 118 15.141 -1.924 -6.465 887 HB2 GLN 118 2HB GLN 118 16.465 -3.447 -7.803 888 HB3 GLN 118 1HB GLN 118 17.497 -2.637 -6.643 889 HG2 GLN 118 2HG GLN 118 17.523 -4.596 -5.237 890 HG3 GLN 118 1HG GLN 118 16.416 -5.424 -6.336 891 HE21 GLN 118 1HE2 GLN 118 17.164 -6.015 -8.367 892 HE22 GLN 118 2HE2 GLN 118 18.845 -6.207 -8.704 893 H HIS 119 H HIS 119 14.389 -3.862 -8.070 894 HA HIS 119 HA HIS 119 12.715 -5.156 -8.613 895 HB2 HIS 119 2HB HIS 119 13.347 -6.420 -5.953 896 HB3 HIS 119 1HB HIS 119 11.947 -6.970 -6.873 897 HD1 HIS 119 1HD HIS 119 15.074 -8.360 -6.326 898 HD2 HIS 119 2HD HIS 119 13.151 -7.104 -9.812 899 HE1 HIS 119 1HE HIS 119 16.184 -9.542 -8.205 900 H VAL 120 H VAL 120 12.341 -2.658 -7.223 901 HA VAL 120 HA VAL 120 9.600 -2.970 -6.316 902 HB VAL 120 HB VAL 120 9.646 -0.635 -5.638 903 HG11 VAL 120 1HG1 VAL 120 11.428 -0.661 -3.954 904 HG12 VAL 120 2HG1 VAL 120 12.175 -2.016 -4.792 905 HG13 VAL 120 3HG1 VAL 120 10.584 -2.205 -4.063 906 HG21 VAL 120 3HG2 VAL 120 12.414 -0.475 -6.837 907 HG22 VAL 120 1HG2 VAL 120 11.626 0.798 -5.905 908 HG23 VAL 120 2HG2 VAL 120 10.962 0.310 -7.465 909 H ASP 121 H ASP 121 7.937 -1.969 -7.326 910 HA ASP 121 HA ASP 121 8.233 -1.890 -10.217 911 HB2 ASP 121 2HB ASP 121 6.375 -3.153 -9.461 912 HB3 ASP 121 1HB ASP 121 5.838 -1.875 -8.390 913 H LYS 122 H LYS 122 7.358 0.350 -7.659 914 HA LYS 122 HA LYS 122 7.743 2.564 -9.491 915 HB2 LYS 122 2HB LYS 122 5.160 2.123 -7.997 916 HB3 LYS 122 1HB LYS 122 5.577 3.669 -8.679 917 HG2 LYS 122 2HG LYS 122 5.660 2.557 -10.916 918 HG3 LYS 122 1HG LYS 122 5.070 1.094 -10.136 919 HD2 LYS 122 2HD LYS 122 3.076 2.327 -9.375 920 HD3 LYS 122 1HD LYS 122 3.655 3.758 -10.229 921 HE2 LYS 122 2HE LYS 122 2.033 2.633 -11.599 922 HE3 LYS 122 1HE LYS 122 3.627 2.450 -12.332 923 HZ1 LYS 122 3HZ LYS 122 2.087 0.432 -10.824 924 HZ2 LYS 122 1HZ LYS 122 3.701 0.199 -11.203 925 HZ3 LYS 122 2HZ LYS 122 2.561 0.342 -12.422 926 H TYR 123 H TYR 123 7.770 4.616 -8.375 927 HA TYR 123 HA TYR 123 8.597 4.367 -5.586 928 HB2 TYR 123 2HB TYR 123 9.644 6.088 -7.808 929 HB3 TYR 123 1HB TYR 123 9.802 6.606 -6.134 930 HD1 TYR 123 2HD TYR 123 11.190 5.407 -4.604 931 HD2 TYR 123 1HD TYR 123 10.953 4.232 -8.675 932 HE1 TYR 123 2HE TYR 123 13.173 4.075 -4.302 933 HE2 TYR 123 1HE TYR 123 12.980 2.861 -8.396 934 HH TYR 123 HH TYR 123 14.917 2.792 -6.918 935 H VAL 124 H VAL 124 7.679 5.693 -4.167 936 HA VAL 124 HA VAL 124 5.849 7.742 -5.169 937 HB VAL 124 HB VAL 124 4.107 7.105 -3.513 938 HG11 VAL 124 1HG1 VAL 124 3.855 6.399 -5.828 939 HG12 VAL 124 2HG1 VAL 124 3.178 5.210 -4.722 940 HG13 VAL 124 3HG1 VAL 124 4.744 4.918 -5.481 941 HG21 VAL 124 3HG2 VAL 124 4.143 4.856 -2.516 942 HG22 VAL 124 1HG2 VAL 124 5.465 5.870 -1.930 943 HG23 VAL 124 2HG2 VAL 124 5.778 4.621 -3.136 944 H LEU 125 H LEU 125 4.957 8.973 -3.171 945 HA LEU 125 HA LEU 125 7.285 9.863 -1.805 946 HB2 LEU 125 2HB LEU 125 5.908 11.670 -0.851 947 HB3 LEU 125 1HB LEU 125 5.786 11.586 -2.582 948 HG LEU 125 HG LEU 125 3.689 12.232 -1.724 949 HD11 LEU 125 1HD1 LEU 125 3.472 10.755 -3.578 950 HD12 LEU 125 2HD1 LEU 125 2.112 10.594 -2.471 951 HD13 LEU 125 3HD1 LEU 125 3.372 9.363 -2.494 952 HD21 LEU 125 3HD2 LEU 125 2.357 10.910 -0.112 953 HD22 LEU 125 1HD2 LEU 125 3.845 11.568 0.574 954 HD23 LEU 125 2HD2 LEU 125 3.756 9.865 0.132 955 H ASP 126 H ASP 126 7.693 9.944 0.334 956 HA ASP 126 HA ASP 126 6.843 7.645 1.844 957 HB2 ASP 126 2HB ASP 126 9.170 8.366 1.817 958 HB3 ASP 126 1HB ASP 126 8.718 9.938 2.449 959 H ASN 127 H ASN 127 5.839 7.733 3.890 960 HA ASN 127 HA ASN 127 3.948 9.906 4.122 961 HB2 ASN 127 2HB ASN 127 4.158 7.337 5.743 962 HB3 ASN 127 1HB ASN 127 2.947 8.602 5.956 963 HD21 ASN 127 1HD2 ASN 127 2.438 9.187 3.353 964 HD22 ASN 127 2HD2 ASN 127 1.627 7.851 2.601 965 H GLY 128 H GLY 128 5.002 11.632 4.848 966 HA2 GLY 128 2HA GLY 128 6.738 11.352 7.160 967 HA3 GLY 128 1HA GLY 128 6.580 12.776 6.146 968 H GLN 129 H GLN 129 5.924 11.541 9.072 969 HA GLN 129 HA GLN 129 3.709 13.430 9.552 970 HB2 GLN 129 2HB GLN 129 3.339 11.025 10.186 971 HB3 GLN 129 1HB GLN 129 4.697 11.157 11.290 972 HG2 GLN 129 2HG GLN 129 3.476 12.862 12.575 973 HG3 GLN 129 1HG GLN 129 2.114 12.706 11.471 974 HE21 GLN 129 1HE2 GLN 129 4.005 9.993 12.448 975 HE22 GLN 129 2HE2 GLN 129 2.822 9.250 13.452 976 H GLY 130 H GLY 130 6.930 13.232 9.555 977 HA2 GLY 130 2HA GLY 130 7.324 15.514 11.137 978 HA3 GLY 130 1HA GLY 130 7.941 14.063 11.929 979 H GLY 131 H GLY 131 9.591 16.155 10.996 980 HA2 GLY 131 2HA GLY 131 11.693 14.872 9.990 981 HA3 GLY 131 1HA GLY 131 10.767 15.229 8.537 982 H ALA 132 H ALA 132 10.516 17.319 7.874 983 HA ALA 132 HA ALA 132 12.183 19.331 9.246 984 HB1 ALA 132 1HB ALA 132 12.937 20.112 7.043 985 HB2 ALA 132 2HB ALA 132 12.011 18.824 6.275 986 HB3 ALA 132 3HB ALA 132 13.383 18.426 7.308 987 H GLY 133 H GLY 133 9.300 18.802 9.276 988 HA2 GLY 133 2HA GLY 133 7.499 20.276 9.465 989 HA3 GLY 133 1HA GLY 133 8.361 21.431 8.447 990 H SER 134 H SER 134 8.913 20.343 6.230 991 HA SER 134 HA SER 134 6.437 19.324 5.158 992 HB2 SER 134 2HB SER 134 7.702 20.112 2.991 993 HB3 SER 134 1HB SER 134 6.956 21.309 4.054 994 HG SER 134 HG SER 134 8.855 22.140 4.094 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -11.225 11.772 -13.776 2 H2 MET 1 2HT MET 1 -9.995 12.770 -14.327 3 H3 MET 1 3HT MET 1 -11.375 13.457 -13.674 4 HA MET 1 HA MET 1 -9.550 13.585 -12.138 5 HB2 MET 1 2HB MET 1 -11.660 11.576 -11.309 6 HB3 MET 1 1HB MET 1 -10.536 12.337 -10.198 7 HG2 MET 1 2HG MET 1 -11.491 14.530 -10.794 8 HG3 MET 1 1HG MET 1 -12.651 13.710 -11.836 9 HE1 MET 1 2HE MET 1 -14.618 14.967 -10.558 10 HE2 MET 1 3HE MET 1 -13.437 15.754 -9.511 11 HE3 MET 1 1HE MET 1 -14.828 14.931 -8.808 12 H GLY 2 H GLY 2 -7.570 12.904 -12.285 13 HA2 GLY 2 2HA GLY 2 -6.967 10.080 -12.513 14 HA3 GLY 2 1HA GLY 2 -5.809 11.415 -12.490 15 H GLU 3 H GLU 3 -6.102 8.877 -10.888 16 HA GLU 3 HA GLU 3 -5.764 8.092 -8.817 17 HB2 GLU 3 2HB GLU 3 -5.431 10.946 -7.829 18 HB3 GLU 3 1HB GLU 3 -4.922 9.475 -7.026 19 HG2 GLU 3 2HG GLU 3 -3.740 10.649 -9.530 20 HG3 GLU 3 1HG GLU 3 -3.034 10.688 -7.926 21 H ASN 4 H ASN 4 -7.465 7.258 -7.815 22 HA ASN 4 HA ASN 4 -9.525 9.127 -6.889 23 HB2 ASN 4 2HB ASN 4 -11.316 7.538 -7.382 24 HB3 ASN 4 1HB ASN 4 -10.388 7.800 -8.839 25 HD21 ASN 4 1HD2 ASN 4 -11.226 5.556 -6.360 26 HD22 ASN 4 2HD2 ASN 4 -10.667 4.121 -7.147 27 H LYS 5 H LYS 5 -7.304 8.282 -5.763 28 HA LYS 5 HA LYS 5 -6.944 6.310 -3.977 29 HB2 LYS 5 2HB LYS 5 -6.563 9.213 -3.313 30 HB3 LYS 5 1HB LYS 5 -5.806 7.862 -2.495 31 HG2 LYS 5 2HG LYS 5 -4.592 7.298 -4.503 32 HG3 LYS 5 1HG LYS 5 -5.432 8.574 -5.380 33 HD2 LYS 5 2HD LYS 5 -3.756 9.131 -2.938 34 HD3 LYS 5 1HD LYS 5 -3.055 9.071 -4.549 35 HE2 LYS 5 2HE LYS 5 -3.468 11.374 -3.962 36 HE3 LYS 5 1HE LYS 5 -4.585 10.914 -5.232 37 HZ1 LYS 5 3HZ LYS 5 -5.516 12.300 -3.458 38 HZ2 LYS 5 1HZ LYS 5 -5.334 11.085 -2.331 39 HZ3 LYS 5 2HZ LYS 5 -6.398 10.933 -3.656 40 H VAL 6 H VAL 6 -8.840 5.426 -3.032 41 HA VAL 6 HA VAL 6 -10.289 7.080 -1.212 42 HB VAL 6 HB VAL 6 -11.340 4.867 -0.456 43 HG11 VAL 6 1HG1 VAL 6 -11.687 5.794 -3.298 44 HG12 VAL 6 2HG1 VAL 6 -12.489 6.462 -1.876 45 HG13 VAL 6 3HG1 VAL 6 -12.843 4.815 -2.401 46 HG21 VAL 6 3HG2 VAL 6 -11.246 3.014 -2.022 47 HG22 VAL 6 1HG2 VAL 6 -9.635 3.370 -1.395 48 HG23 VAL 6 2HG2 VAL 6 -10.100 3.901 -3.021 49 H CYS 7 H CYS 7 -9.452 7.680 0.537 50 HA CYS 7 HA CYS 7 -7.768 5.900 2.064 51 HB2 CYS 7 2HB CYS 7 -7.579 7.905 3.590 52 HB3 CYS 7 1HB CYS 7 -7.020 8.222 1.953 53 HG CYS 7 HG CYS 7 -9.019 9.880 1.224 54 H GLY 8 H GLY 8 -8.531 5.927 4.639 55 HA2 GLY 8 2HA GLY 8 -10.554 4.194 4.745 56 HA3 GLY 8 1HA GLY 8 -10.090 5.226 6.083 57 H LEU 9 H LEU 9 -12.528 4.152 4.387 58 HA LEU 9 HA LEU 9 -14.361 6.161 5.194 59 HB2 LEU 9 2HB LEU 9 -13.473 6.945 2.984 60 HB3 LEU 9 1HB LEU 9 -13.943 5.417 2.288 61 HG LEU 9 HG LEU 9 -16.298 5.967 2.614 62 HD11 LEU 9 1HD1 LEU 9 -16.942 8.199 3.389 63 HD12 LEU 9 2HD1 LEU 9 -15.253 8.566 3.749 64 HD13 LEU 9 3HD1 LEU 9 -16.099 7.311 4.655 65 HD21 LEU 9 3HD2 LEU 9 -16.390 7.829 1.016 66 HD22 LEU 9 1HD2 LEU 9 -15.180 6.627 0.565 67 HD23 LEU 9 2HD2 LEU 9 -14.684 8.146 1.307 68 H THR 10 H THR 10 -16.451 5.095 5.220 69 HA THR 10 HA THR 10 -16.259 2.231 4.651 70 HB THR 10 HB THR 10 -15.638 2.509 7.000 71 HG1 THR 10 1HG THR 10 -17.209 1.176 7.947 72 HG21 THR 10 3HG2 THR 10 -17.246 3.408 8.656 73 HG22 THR 10 1HG2 THR 10 -18.307 3.878 7.330 74 HG23 THR 10 2HG2 THR 10 -16.718 4.624 7.491 75 H ARG 11 H ARG 11 -17.662 4.691 3.644 76 HA ARG 11 HA ARG 11 -20.455 3.776 3.859 77 HB2 ARG 11 2HB ARG 11 -19.352 6.371 2.831 78 HB3 ARG 11 1HB ARG 11 -21.052 5.971 2.980 79 HG2 ARG 11 2HG ARG 11 -20.866 6.037 5.382 80 HG3 ARG 11 1HG ARG 11 -19.118 6.295 5.261 81 HD2 ARG 11 2HD ARG 11 -19.524 8.360 3.993 82 HD3 ARG 11 1HD ARG 11 -21.258 8.120 4.181 83 HE ARG 11 HE ARG 11 -20.596 8.168 6.672 84 HH11 ARG 11 1HH1 ARG 11 -19.206 10.251 4.090 85 HH12 ARG 11 2HH1 ARG 11 -18.958 11.554 5.145 86 HH21 ARG 11 1HH2 ARG 11 -20.213 10.022 8.068 87 HH22 ARG 11 2HH2 ARG 11 -19.512 11.428 7.409 88 H GLY 12 H GLY 12 -20.873 2.487 2.166 89 HA2 GLY 12 2HA GLY 12 -19.612 2.079 -0.250 90 HA3 GLY 12 1HA GLY 12 -21.356 1.938 0.111 91 H GLN 13 H GLN 13 -22.376 4.001 0.358 92 HA GLN 13 HA GLN 13 -22.822 5.266 -2.033 93 HB2 GLN 13 2HB GLN 13 -23.453 6.047 0.794 94 HB3 GLN 13 1HB GLN 13 -23.948 7.037 -0.564 95 HG2 GLN 13 2HG GLN 13 -25.768 5.635 0.190 96 HG3 GLN 13 1HG GLN 13 -25.288 5.196 -1.434 97 HE21 GLN 13 1HE2 GLN 13 -23.549 4.034 1.533 98 HE22 GLN 13 2HE2 GLN 13 -24.114 2.428 1.315 99 H ASP 14 H ASP 14 -20.406 6.005 0.309 100 HA ASP 14 HA ASP 14 -19.934 8.700 -0.776 101 HB2 ASP 14 2HB ASP 14 -19.915 7.993 1.747 102 HB3 ASP 14 1HB ASP 14 -18.332 7.340 1.408 103 H ALA 15 H ALA 15 -18.428 5.571 -0.312 104 HA ALA 15 HA ALA 15 -15.903 6.057 -1.428 105 HB1 ALA 15 1HB ALA 15 -16.390 4.200 0.061 106 HB2 ALA 15 2HB ALA 15 -15.722 3.595 -1.461 107 HB3 ALA 15 3HB ALA 15 -17.456 3.495 -1.139 108 H LYS 16 H LYS 16 -18.953 5.108 -2.863 109 HA LYS 16 HA LYS 16 -18.012 4.167 -5.303 110 HB2 LYS 16 2HB LYS 16 -20.235 4.540 -6.208 111 HB3 LYS 16 1HB LYS 16 -20.327 3.833 -4.607 112 HG2 LYS 16 2HG LYS 16 -20.887 6.016 -3.670 113 HG3 LYS 16 1HG LYS 16 -20.737 6.747 -5.263 114 HD2 LYS 16 2HD LYS 16 -22.565 5.311 -6.074 115 HD3 LYS 16 1HD LYS 16 -22.728 4.624 -4.460 116 HE2 LYS 16 2HE LYS 16 -24.413 6.329 -4.768 117 HE3 LYS 16 1HE LYS 16 -23.236 6.874 -3.586 118 HZ1 LYS 16 3HZ LYS 16 -23.254 7.681 -6.442 119 HZ2 LYS 16 1HZ LYS 16 -22.199 8.268 -5.277 120 HZ3 LYS 16 2HZ LYS 16 -23.846 8.620 -5.187 121 H ALA 17 H ALA 17 -18.208 7.420 -4.147 122 HA ALA 17 HA ALA 17 -18.342 8.756 -6.629 123 HB1 ALA 17 1HB ALA 17 -18.787 9.863 -4.505 124 HB2 ALA 17 2HB ALA 17 -17.553 10.718 -5.429 125 HB3 ALA 17 3HB ALA 17 -17.091 9.707 -4.060 126 H ALA 18 H ALA 18 -15.704 7.212 -4.976 127 HA ALA 18 HA ALA 18 -13.705 8.510 -6.606 128 HB1 ALA 18 1HB ALA 18 -13.182 7.897 -4.326 129 HB2 ALA 18 2HB ALA 18 -12.170 6.964 -5.445 130 HB3 ALA 18 3HB ALA 18 -13.574 6.220 -4.682 131 H TYR 19 H TYR 19 -15.152 5.316 -6.237 132 HA TYR 19 HA TYR 19 -13.860 4.085 -8.398 133 HB2 TYR 19 2HB TYR 19 -14.831 2.433 -7.271 134 HB3 TYR 19 1HB TYR 19 -16.023 3.489 -6.555 135 HD1 TYR 19 1HD TYR 19 -15.155 1.354 -9.397 136 HD2 TYR 19 2HD TYR 19 -18.264 3.498 -7.490 137 HE1 TYR 19 1HE TYR 19 -16.815 0.224 -10.850 138 HE2 TYR 19 2HE TYR 19 -19.926 2.391 -8.911 139 HH TYR 19 HH TYR 19 -19.230 -0.307 -10.818 140 H ASP 20 H ASP 20 -16.744 5.990 -8.204 141 HA ASP 20 HA ASP 20 -17.847 5.953 -10.717 142 HB2 ASP 20 2HB ASP 20 -18.769 7.227 -8.893 143 HB3 ASP 20 1HB ASP 20 -17.367 8.272 -8.848 144 H ALA 21 H ALA 21 -14.812 7.422 -9.757 145 HA ALA 21 HA ALA 21 -14.482 9.054 -12.055 146 HB1 ALA 21 1HB ALA 21 -12.384 8.060 -10.136 147 HB2 ALA 21 2HB ALA 21 -13.342 9.531 -9.944 148 HB3 ALA 21 3HB ALA 21 -12.201 9.385 -11.287 149 H GLY 22 H GLY 22 -13.884 5.661 -11.468 150 HA2 GLY 22 2HA GLY 22 -13.809 4.855 -14.012 151 HA3 GLY 22 1HA GLY 22 -12.177 5.469 -13.820 152 H ALA 23 H ALA 23 -13.340 4.210 -10.929 153 HA ALA 23 HA ALA 23 -12.799 2.435 -9.631 154 HB1 ALA 23 1HB ALA 23 -14.329 1.301 -11.241 155 HB2 ALA 23 2HB ALA 23 -13.110 0.221 -10.562 156 HB3 ALA 23 3HB ALA 23 -12.917 0.845 -12.197 157 H ILE 24 H ILE 24 -10.671 3.948 -10.901 158 HA ILE 24 HA ILE 24 -8.664 2.422 -12.056 159 HB ILE 24 HB ILE 24 -8.244 4.970 -10.493 160 HG12 ILE 24 2HG1 ILE 24 -8.983 4.668 -13.424 161 HG13 ILE 24 1HG1 ILE 24 -10.101 5.193 -12.170 162 HG21 ILE 24 1HG2 ILE 24 -6.715 3.728 -12.790 163 HG22 ILE 24 2HG2 ILE 24 -6.179 3.825 -11.114 164 HG23 ILE 24 3HG2 ILE 24 -6.370 5.299 -12.067 165 HD11 ILE 24 3HD1 ILE 24 -7.596 6.631 -13.030 166 HD12 ILE 24 1HD1 ILE 24 -8.699 7.156 -11.759 167 HD13 ILE 24 2HD1 ILE 24 -9.259 7.077 -13.430 168 H TYR 25 H TYR 25 -8.581 3.783 -8.825 169 HA TYR 25 HA TYR 25 -7.593 1.506 -7.462 170 HB2 TYR 25 2HB TYR 25 -5.372 1.439 -7.857 171 HB3 TYR 25 1HB TYR 25 -5.649 2.548 -9.188 172 HD1 TYR 25 2HD TYR 25 -5.276 4.982 -8.830 173 HD2 TYR 25 1HD TYR 25 -4.341 2.054 -5.919 174 HE1 TYR 25 2HE TYR 25 -3.927 6.614 -7.646 175 HE2 TYR 25 1HE TYR 25 -3.032 3.609 -4.714 176 HH TYR 25 HH TYR 25 -1.777 5.732 -5.151 177 H GLY 26 H GLY 26 -7.058 1.878 -5.268 178 HA2 GLY 26 2HA GLY 26 -7.831 4.528 -4.332 179 HA3 GLY 26 1HA GLY 26 -8.420 3.025 -3.618 180 H GLY 27 H GLY 27 -6.919 5.034 -2.213 181 HA2 GLY 27 2HA GLY 27 -4.421 3.570 -1.759 182 HA3 GLY 27 1HA GLY 27 -4.469 5.331 -1.828 183 H LEU 28 H LEU 28 -5.404 2.514 -0.045 184 HA LEU 28 HA LEU 28 -6.053 4.251 2.148 185 HB2 LEU 28 2HB LEU 28 -7.509 2.444 3.068 186 HB3 LEU 28 1HB LEU 28 -8.109 3.178 1.611 187 HG LEU 28 HG LEU 28 -8.651 0.833 1.670 188 HD11 LEU 28 1HD1 LEU 28 -8.284 1.702 -0.515 189 HD12 LEU 28 2HD1 LEU 28 -7.806 0.010 -0.421 190 HD13 LEU 28 3HD1 LEU 28 -6.575 1.268 -0.445 191 HD21 LEU 28 3HD2 LEU 28 -6.860 0.047 3.124 192 HD22 LEU 28 1HD2 LEU 28 -5.707 0.217 1.799 193 HD23 LEU 28 2HD2 LEU 28 -7.014 -0.967 1.677 194 H ILE 29 H ILE 29 -5.439 3.618 4.118 195 HA ILE 29 HA ILE 29 -3.298 1.682 4.053 196 HB ILE 29 HB ILE 29 -2.351 2.980 6.070 197 HG12 ILE 29 2HG1 ILE 29 -3.798 5.182 4.555 198 HG13 ILE 29 1HG1 ILE 29 -4.204 4.644 6.178 199 HG21 ILE 29 1HG2 ILE 29 -2.063 3.804 3.204 200 HG22 ILE 29 2HG2 ILE 29 -1.411 2.401 4.035 201 HG23 ILE 29 3HG2 ILE 29 -0.849 4.028 4.506 202 HD11 ILE 29 3HD1 ILE 29 -2.027 5.412 6.970 203 HD12 ILE 29 1HD1 ILE 29 -2.936 6.717 6.208 204 HD13 ILE 29 2HD1 ILE 29 -1.617 5.932 5.336 205 H PHE 30 H PHE 30 -2.718 0.664 5.833 206 HA PHE 30 HA PHE 30 -5.150 -0.542 6.893 207 HB2 PHE 30 2HB PHE 30 -2.341 -1.488 7.438 208 HB3 PHE 30 1HB PHE 30 -3.825 -2.390 7.651 209 HD1 PHE 30 2HD PHE 30 -5.025 -3.281 5.672 210 HD2 PHE 30 1HD PHE 30 -1.290 -1.272 5.349 211 HE1 PHE 30 2HE PHE 30 -4.695 -4.223 3.396 212 HE2 PHE 30 1HE PHE 30 -0.957 -2.207 3.126 213 HZ PHE 30 HZ PHE 30 -2.645 -3.673 2.135 214 H VAL 31 H VAL 31 -5.606 1.402 8.366 215 HA VAL 31 HA VAL 31 -4.300 0.725 10.888 216 HB VAL 31 HB VAL 31 -5.484 3.456 10.212 217 HG11 VAL 31 1HG1 VAL 31 -4.011 2.509 12.665 218 HG12 VAL 31 2HG1 VAL 31 -5.738 2.817 12.545 219 HG13 VAL 31 3HG1 VAL 31 -4.592 4.156 12.372 220 HG21 VAL 31 3HG2 VAL 31 -3.177 4.282 10.324 221 HG22 VAL 31 1HG2 VAL 31 -3.365 3.074 9.051 222 HG23 VAL 31 2HG2 VAL 31 -2.598 2.634 10.578 223 H ALA 32 H ALA 32 -5.495 -0.145 12.315 224 HA ALA 32 HA ALA 32 -7.854 -1.314 11.722 225 HB1 ALA 32 1HB ALA 32 -6.275 -2.066 13.439 226 HB2 ALA 32 2HB ALA 32 -7.946 -2.065 13.987 227 HB3 ALA 32 3HB ALA 32 -6.854 -0.785 14.504 228 H THR 33 H THR 33 -9.379 -0.196 11.043 229 HA THR 33 HA THR 33 -11.334 0.804 10.925 230 HB THR 33 HB THR 33 -12.817 0.911 12.916 231 HG1 THR 33 1HG THR 33 -10.416 0.618 14.222 232 HG21 THR 33 3HG2 THR 33 -11.252 -1.616 12.498 233 HG22 THR 33 1HG2 THR 33 -12.643 -1.092 11.551 234 HG23 THR 33 2HG2 THR 33 -12.854 -1.533 13.250 235 H SER 34 H SER 34 -8.899 2.558 11.696 236 HA SER 34 HA SER 34 -10.107 4.871 12.825 237 HB2 SER 34 2HB SER 34 -7.568 4.549 11.227 238 HB3 SER 34 1HB SER 34 -8.034 5.984 12.150 239 HG SER 34 HG SER 34 -8.315 3.975 13.781 240 HA PRO 35 HA PRO 35 -12.525 6.140 9.522 241 HB2 PRO 35 2HB PRO 35 -12.811 8.788 10.047 242 HB3 PRO 35 1HB PRO 35 -13.606 7.519 10.985 243 HG2 PRO 35 2HG PRO 35 -11.086 9.020 11.597 244 HG3 PRO 35 1HG PRO 35 -12.434 8.617 12.677 245 HD2 PRO 35 2HD PRO 35 -10.141 7.202 12.663 246 HD3 PRO 35 1HD PRO 35 -11.719 6.434 12.962 247 H ARG 36 H ARG 36 -9.340 6.932 9.475 248 HA ARG 36 HA ARG 36 -9.822 8.097 6.863 249 HB2 ARG 36 2HB ARG 36 -8.788 9.705 8.575 250 HB3 ARG 36 1HB ARG 36 -7.341 8.719 8.462 251 HG2 ARG 36 2HG ARG 36 -6.957 10.535 7.018 252 HG3 ARG 36 1HG ARG 36 -7.379 9.189 5.965 253 HD2 ARG 36 2HD ARG 36 -9.283 11.380 6.844 254 HD3 ARG 36 1HD ARG 36 -8.455 11.330 5.300 255 HE ARG 36 HE ARG 36 -9.963 8.971 5.558 256 HH11 ARG 36 1HH1 ARG 36 -10.486 12.425 5.105 257 HH12 ARG 36 2HH1 ARG 36 -11.995 12.226 4.358 258 HH21 ARG 36 1HH2 ARG 36 -12.072 8.713 4.606 259 HH22 ARG 36 2HH2 ARG 36 -12.912 10.119 4.075 260 H CYS 37 H CYS 37 -9.165 5.282 8.145 261 HA CYS 37 HA CYS 37 -7.234 4.532 6.124 262 HB2 CYS 37 2HB CYS 37 -7.081 3.859 9.052 263 HB3 CYS 37 1HB CYS 37 -6.006 3.232 7.800 264 HG CYS 37 HG CYS 37 -5.770 6.358 7.381 265 H VAL 38 H VAL 38 -7.426 2.149 5.666 266 HA VAL 38 HA VAL 38 -9.742 0.909 6.856 267 HB VAL 38 HB VAL 38 -9.562 1.857 4.030 268 HG11 VAL 38 1HG1 VAL 38 -10.833 -0.022 3.132 269 HG12 VAL 38 2HG1 VAL 38 -10.664 -0.874 4.675 270 HG13 VAL 38 3HG1 VAL 38 -9.238 -0.532 3.692 271 HG21 VAL 38 3HG2 VAL 38 -11.966 1.855 4.220 272 HG22 VAL 38 1HG2 VAL 38 -11.266 2.616 5.648 273 HG23 VAL 38 2HG2 VAL 38 -11.878 0.969 5.739 274 H ASN 39 H ASN 39 -9.569 -1.087 7.104 275 HA ASN 39 HA ASN 39 -7.138 -2.487 6.211 276 HB2 ASN 39 2HB ASN 39 -7.345 -3.770 8.349 277 HB3 ASN 39 1HB ASN 39 -6.818 -2.116 8.547 278 HD21 ASN 39 1HD2 ASN 39 -9.165 -4.408 9.195 279 HD22 ASN 39 2HD2 ASN 39 -10.155 -3.458 10.228 280 H VAL 40 H VAL 40 -7.438 -4.872 6.651 281 HA VAL 40 HA VAL 40 -8.829 -5.959 4.660 282 HB VAL 40 HB VAL 40 -8.280 -7.179 7.363 283 HG11 VAL 40 1HG1 VAL 40 -8.581 -9.371 6.343 284 HG12 VAL 40 2HG1 VAL 40 -9.101 -8.605 4.842 285 HG13 VAL 40 3HG1 VAL 40 -10.089 -8.452 6.297 286 HG21 VAL 40 3HG2 VAL 40 -6.923 -7.418 4.703 287 HG22 VAL 40 1HG2 VAL 40 -6.432 -8.218 6.196 288 HG23 VAL 40 2HG2 VAL 40 -6.380 -6.455 6.072 289 H GLU 41 H GLU 41 -10.170 -5.206 7.723 290 HA GLU 41 HA GLU 41 -12.545 -6.697 7.587 291 HB2 GLU 41 2HB GLU 41 -11.709 -4.259 9.029 292 HB3 GLU 41 1HB GLU 41 -13.198 -5.132 9.389 293 HG2 GLU 41 2HG GLU 41 -11.853 -7.088 9.967 294 HG3 GLU 41 1HG GLU 41 -10.399 -6.187 9.551 295 H GLN 42 H GLN 42 -11.984 -3.188 7.220 296 HA GLN 42 HA GLN 42 -14.653 -2.669 6.357 297 HB2 GLN 42 2HB GLN 42 -12.139 -1.053 6.344 298 HB3 GLN 42 1HB GLN 42 -13.750 -0.405 6.001 299 HG2 GLN 42 2HG GLN 42 -14.390 -0.571 8.194 300 HG3 GLN 42 1HG GLN 42 -13.191 -1.833 8.560 301 HE21 GLN 42 1HE2 GLN 42 -11.090 -1.232 8.894 302 HE22 GLN 42 2HE2 GLN 42 -10.719 0.418 9.169 303 H ALA 43 H ALA 43 -11.524 -3.150 4.873 304 HA ALA 43 HA ALA 43 -12.184 -2.178 2.359 305 HB1 ALA 43 1HB ALA 43 -10.109 -4.235 3.064 306 HB2 ALA 43 2HB ALA 43 -9.882 -2.489 3.041 307 HB3 ALA 43 3HB ALA 43 -10.202 -3.357 1.539 308 H GLN 44 H GLN 44 -12.665 -5.260 3.894 309 HA GLN 44 HA GLN 44 -13.198 -6.890 1.686 310 HB2 GLN 44 2HB GLN 44 -13.015 -7.274 4.338 311 HB3 GLN 44 1HB GLN 44 -14.776 -7.287 4.180 312 HG2 GLN 44 2HG GLN 44 -14.452 -9.476 3.823 313 HG3 GLN 44 1HG GLN 44 -13.987 -8.975 2.197 314 HE21 GLN 44 1HE2 GLN 44 -11.466 -7.681 3.205 315 HE22 GLN 44 2HE2 GLN 44 -10.450 -8.974 3.645 316 H GLU 45 H GLU 45 -15.082 -4.639 3.557 317 HA GLU 45 HA GLU 45 -17.610 -5.287 2.330 318 HB2 GLU 45 2HB GLU 45 -16.791 -3.167 4.296 319 HB3 GLU 45 1HB GLU 45 -18.447 -3.484 3.788 320 HG2 GLU 45 2HG GLU 45 -16.664 -5.479 5.160 321 HG3 GLU 45 1HG GLU 45 -17.864 -4.476 5.974 322 H VAL 46 H VAL 46 -15.323 -2.576 2.364 323 HA VAL 46 HA VAL 46 -16.908 -0.869 0.794 324 HB VAL 46 HB VAL 46 -14.897 -0.242 2.293 325 HG11 VAL 46 1HG1 VAL 46 -13.239 -0.575 -0.163 326 HG12 VAL 46 2HG1 VAL 46 -13.402 -1.799 1.058 327 HG13 VAL 46 3HG1 VAL 46 -12.715 -0.221 1.506 328 HG21 VAL 46 3HG2 VAL 46 -15.138 1.054 -0.416 329 HG22 VAL 46 1HG2 VAL 46 -14.370 1.770 1.002 330 HG23 VAL 46 2HG2 VAL 46 -16.101 1.426 1.018 331 H MET 47 H MET 47 -14.624 -3.386 -0.098 332 HA MET 47 HA MET 47 -14.409 -2.623 -2.820 333 HB2 MET 47 2HB MET 47 -13.403 -4.760 -3.250 334 HB3 MET 47 1HB MET 47 -12.808 -4.178 -1.709 335 HG2 MET 47 2HG MET 47 -14.278 -5.708 -0.534 336 HG3 MET 47 1HG MET 47 -14.963 -6.249 -2.064 337 HE1 MET 47 3HE MET 47 -13.808 -8.224 0.133 338 HE2 MET 47 1HE MET 47 -12.877 -9.350 -0.852 339 HE3 MET 47 2HE MET 47 -14.449 -8.786 -1.409 340 H ALA 48 H ALA 48 -16.891 -4.155 -1.035 341 HA ALA 48 HA ALA 48 -18.110 -5.397 -3.336 342 HB1 ALA 48 1HB ALA 48 -19.143 -5.045 -0.516 343 HB2 ALA 48 2HB ALA 48 -18.295 -6.464 -1.128 344 HB3 ALA 48 3HB ALA 48 -19.884 -6.040 -1.768 345 H ALA 49 H ALA 49 -17.902 -2.345 -2.072 346 HA ALA 49 HA ALA 49 -20.514 -1.541 -3.101 347 HB1 ALA 49 1HB ALA 49 -20.169 0.540 -1.881 348 HB2 ALA 49 2HB ALA 49 -18.574 -0.012 -1.375 349 HB3 ALA 49 3HB ALA 49 -20.017 -0.851 -0.807 350 H ALA 50 H ALA 50 -16.967 -0.758 -3.323 351 HA ALA 50 HA ALA 50 -17.561 0.489 -5.832 352 HB1 ALA 50 1HB ALA 50 -15.769 1.452 -3.593 353 HB2 ALA 50 2HB ALA 50 -17.195 2.280 -4.235 354 HB3 ALA 50 3HB ALA 50 -15.753 2.097 -5.229 355 HA PRO 51 HA PRO 51 -14.507 -2.776 -6.233 356 HB2 PRO 51 2HB PRO 51 -15.080 -3.245 -8.918 357 HB3 PRO 51 1HB PRO 51 -15.764 -4.105 -7.535 358 HG2 PRO 51 2HG PRO 51 -17.048 -2.211 -9.308 359 HG3 PRO 51 1HG PRO 51 -17.766 -3.242 -8.066 360 HD2 PRO 51 2HD PRO 51 -17.205 -0.416 -7.962 361 HD3 PRO 51 1HD PRO 51 -18.032 -1.428 -6.765 362 H LEU 52 H LEU 52 -13.384 -0.694 -5.986 363 HA LEU 52 HA LEU 52 -11.870 -0.046 -8.403 364 HB2 LEU 52 2HB LEU 52 -10.865 1.698 -6.684 365 HB3 LEU 52 1HB LEU 52 -12.336 2.100 -7.517 366 HG LEU 52 HG LEU 52 -13.451 1.050 -5.381 367 HD11 LEU 52 1HD1 LEU 52 -12.193 1.266 -3.328 368 HD12 LEU 52 2HD1 LEU 52 -10.737 1.622 -4.253 369 HD13 LEU 52 3HD1 LEU 52 -11.520 0.047 -4.411 370 HD21 LEU 52 3HD2 LEU 52 -12.106 3.750 -5.395 371 HD22 LEU 52 1HD2 LEU 52 -13.249 3.225 -4.153 372 HD23 LEU 52 2HD2 LEU 52 -13.787 3.343 -5.807 373 H GLN 53 H GLN 53 -9.436 0.147 -8.033 374 HA GLN 53 HA GLN 53 -8.549 -2.313 -6.907 375 HB2 GLN 53 2HB GLN 53 -7.706 -0.556 -8.899 376 HB3 GLN 53 1HB GLN 53 -6.437 -0.485 -7.682 377 HG2 GLN 53 2HG GLN 53 -7.538 -3.035 -8.736 378 HG3 GLN 53 1HG GLN 53 -6.190 -2.201 -9.511 379 HE21 GLN 53 1HE2 GLN 53 -4.928 -1.270 -7.168 380 HE22 GLN 53 2HE2 GLN 53 -4.289 -2.598 -6.302 381 H TYR 54 H TYR 54 -6.583 -2.405 -5.358 382 HA TYR 54 HA TYR 54 -6.778 -0.305 -3.298 383 HB2 TYR 54 2HB TYR 54 -6.262 -3.076 -2.524 384 HB3 TYR 54 1HB TYR 54 -7.238 -1.873 -1.669 385 HD1 TYR 54 1HD TYR 54 -9.674 -1.646 -2.376 386 HD2 TYR 54 2HD TYR 54 -7.140 -4.704 -3.905 387 HE1 TYR 54 1HE TYR 54 -11.642 -2.902 -3.153 388 HE2 TYR 54 2HE TYR 54 -9.088 -5.957 -4.681 389 HH TYR 54 HH TYR 54 -11.523 -6.120 -4.077 390 H VAL 55 H VAL 55 -4.825 0.127 -2.313 391 HA VAL 55 HA VAL 55 -2.562 -1.579 -2.934 392 HB VAL 55 HB VAL 55 -2.541 0.488 -4.424 393 HG11 VAL 55 1HG1 VAL 55 -2.237 1.929 -1.817 394 HG12 VAL 55 2HG1 VAL 55 -3.538 2.085 -3.000 395 HG13 VAL 55 3HG1 VAL 55 -1.898 2.630 -3.400 396 HG21 VAL 55 3HG2 VAL 55 -0.489 -0.673 -3.953 397 HG22 VAL 55 1HG2 VAL 55 -0.270 0.203 -2.449 398 HG23 VAL 55 2HG2 VAL 55 -0.172 1.063 -3.986 399 H GLY 56 H GLY 56 -0.915 -1.372 -1.256 400 HA2 GLY 56 2HA GLY 56 -1.987 -0.220 1.276 401 HA3 GLY 56 1HA GLY 56 -1.207 -1.818 1.141 402 H VAL 57 H VAL 57 -0.742 0.937 2.412 403 HA VAL 57 HA VAL 57 2.151 0.931 1.891 404 HB VAL 57 HB VAL 57 0.484 3.302 2.826 405 HG11 VAL 57 1HG1 VAL 57 2.498 4.634 2.424 406 HG12 VAL 57 2HG1 VAL 57 3.372 3.170 1.973 407 HG13 VAL 57 3HG1 VAL 57 2.766 3.364 3.618 408 HG21 VAL 57 3HG2 VAL 57 -0.077 2.832 0.494 409 HG22 VAL 57 1HG2 VAL 57 1.631 2.866 0.061 410 HG23 VAL 57 2HG2 VAL 57 0.835 4.332 0.624 411 H PHE 58 H PHE 58 3.267 0.456 3.791 412 HA PHE 58 HA PHE 58 2.208 1.088 6.354 413 HB2 PHE 58 2HB PHE 58 0.665 -0.796 5.521 414 HB3 PHE 58 1HB PHE 58 2.051 -1.858 5.653 415 HD1 PHE 58 2HD PHE 58 -0.173 0.376 7.601 416 HD2 PHE 58 1HD PHE 58 2.577 -2.861 7.717 417 HE1 PHE 58 2HE PHE 58 -0.763 -0.043 9.950 418 HE2 PHE 58 1HE PHE 58 1.991 -3.285 10.060 419 HZ PHE 58 HZ PHE 58 0.318 -1.875 11.184 420 H ARG 59 H ARG 59 3.583 0.210 8.042 421 HA ARG 59 HA ARG 59 6.257 -0.431 7.066 422 HB2 ARG 59 2HB ARG 59 5.860 1.416 8.708 423 HB3 ARG 59 1HB ARG 59 5.213 0.240 9.828 424 HG2 ARG 59 2HG ARG 59 7.430 -0.820 9.954 425 HG3 ARG 59 1HG ARG 59 8.027 0.416 8.830 426 HD2 ARG 59 2HD ARG 59 7.356 2.169 10.418 427 HD3 ARG 59 1HD ARG 59 6.819 0.932 11.544 428 HE ARG 59 HE ARG 59 9.399 0.277 11.185 429 HH11 ARG 59 1HH1 ARG 59 7.802 3.321 12.062 430 HH12 ARG 59 2HH1 ARG 59 9.165 3.988 12.805 431 HH21 ARG 59 1HH2 ARG 59 11.248 1.153 12.250 432 HH22 ARG 59 2HH2 ARG 59 11.195 2.718 12.931 433 H ASN 60 H ASN 60 6.012 -2.620 6.516 434 HA ASN 60 HA ASN 60 4.819 -4.390 8.441 435 HB2 ASN 60 2HB ASN 60 5.424 -4.846 5.511 436 HB3 ASN 60 1HB ASN 60 4.701 -6.012 6.597 437 HD21 ASN 60 1HD2 ASN 60 2.452 -5.734 7.228 438 HD22 ASN 60 2HD2 ASN 60 1.486 -4.644 6.312 439 H HIS 61 H HIS 61 5.985 -5.483 9.375 440 HA HIS 61 HA HIS 61 8.856 -5.789 8.856 441 HB2 HIS 61 2HB HIS 61 7.272 -6.620 11.311 442 HB3 HIS 61 1HB HIS 61 9.030 -6.628 11.166 443 HD1 HIS 61 1HD HIS 61 6.135 -4.337 11.794 444 HD2 HIS 61 2HD HIS 61 10.224 -4.076 11.120 445 HE1 HIS 61 1HE HIS 61 6.767 -1.963 12.275 446 H ASP 62 H ASP 62 6.009 -7.768 9.476 447 HA ASP 62 HA ASP 62 7.429 -10.202 8.856 448 HB2 ASP 62 2HB ASP 62 4.601 -9.620 9.625 449 HB3 ASP 62 1HB ASP 62 4.993 -11.158 8.875 450 H ILE 63 H ILE 63 7.720 -10.968 6.911 451 HA ILE 63 HA ILE 63 6.514 -9.817 4.634 452 HB ILE 63 HB ILE 63 8.656 -10.883 4.347 453 HG12 ILE 63 2HG1 ILE 63 6.734 -12.717 2.984 454 HG13 ILE 63 1HG1 ILE 63 6.868 -11.015 2.564 455 HG21 ILE 63 1HG2 ILE 63 8.566 -12.548 6.103 456 HG22 ILE 63 2HG2 ILE 63 8.995 -13.300 4.569 457 HG23 ILE 63 3HG2 ILE 63 7.356 -13.457 5.201 458 HD11 ILE 63 3HD1 ILE 63 8.187 -12.479 1.074 459 HD12 ILE 63 1HD1 ILE 63 9.102 -13.048 2.466 460 HD13 ILE 63 2HD1 ILE 63 9.206 -11.357 1.957 461 H ALA 64 H ALA 64 5.647 -12.501 6.654 462 HA ALA 64 HA ALA 64 3.635 -13.592 4.974 463 HB1 ALA 64 1HB ALA 64 4.640 -14.870 6.806 464 HB2 ALA 64 2HB ALA 64 2.888 -14.780 6.980 465 HB3 ALA 64 3HB ALA 64 3.926 -13.761 7.976 466 H ASP 65 H ASP 65 3.806 -10.821 6.884 467 HA ASP 65 HA ASP 65 0.980 -10.582 7.476 468 HB2 ASP 65 2HB ASP 65 2.533 -9.667 9.081 469 HB3 ASP 65 1HB ASP 65 3.321 -8.706 7.840 470 H VAL 66 H VAL 66 3.348 -9.314 5.277 471 HA VAL 66 HA VAL 66 1.667 -7.524 3.876 472 HB VAL 66 HB VAL 66 4.046 -9.061 2.799 473 HG11 VAL 66 1HG1 VAL 66 2.793 -6.479 1.888 474 HG12 VAL 66 2HG1 VAL 66 2.728 -8.030 1.051 475 HG13 VAL 66 3HG1 VAL 66 4.270 -7.187 1.232 476 HG21 VAL 66 3HG2 VAL 66 3.975 -6.391 4.188 477 HG22 VAL 66 1HG2 VAL 66 5.385 -7.080 3.388 478 HG23 VAL 66 2HG2 VAL 66 4.698 -7.876 4.803 479 H VAL 67 H VAL 67 2.662 -10.869 3.370 480 HA VAL 67 HA VAL 67 1.233 -11.341 0.979 481 HB VAL 67 HB VAL 67 1.965 -13.402 3.093 482 HG11 VAL 67 1HG1 VAL 67 0.302 -14.254 1.513 483 HG12 VAL 67 2HG1 VAL 67 1.862 -15.037 1.262 484 HG13 VAL 67 3HG1 VAL 67 1.325 -13.766 0.163 485 HG21 VAL 67 3HG2 VAL 67 3.946 -13.838 1.735 486 HG22 VAL 67 1HG2 VAL 67 3.925 -12.173 2.307 487 HG23 VAL 67 2HG2 VAL 67 3.494 -12.541 0.635 488 H ASP 68 H ASP 68 0.349 -11.724 4.335 489 HA ASP 68 HA ASP 68 -2.115 -12.961 4.166 490 HB2 ASP 68 2HB ASP 68 -1.040 -12.578 6.275 491 HB3 ASP 68 1HB ASP 68 -1.113 -10.838 6.058 492 H LYS 69 H LYS 69 -1.555 -9.469 4.386 493 HA LYS 69 HA LYS 69 -4.302 -8.759 3.900 494 HB2 LYS 69 2HB LYS 69 -1.856 -7.031 3.462 495 HB3 LYS 69 1HB LYS 69 -3.497 -6.470 3.755 496 HG2 LYS 69 2HG LYS 69 -1.649 -7.812 5.759 497 HG3 LYS 69 1HG LYS 69 -2.137 -6.113 5.697 498 HD2 LYS 69 2HD LYS 69 -4.381 -6.655 6.190 499 HD3 LYS 69 1HD LYS 69 -4.048 -8.385 6.087 500 HE2 LYS 69 2HE LYS 69 -2.850 -6.490 8.108 501 HE3 LYS 69 1HE LYS 69 -4.212 -7.566 8.407 502 HZ1 LYS 69 3HZ LYS 69 -2.697 -9.425 7.768 503 HZ2 LYS 69 1HZ LYS 69 -2.321 -8.648 9.219 504 HZ3 LYS 69 2HZ LYS 69 -1.383 -8.325 7.893 505 H ALA 70 H ALA 70 -1.485 -9.039 1.815 506 HA ALA 70 HA ALA 70 -2.671 -7.940 -0.482 507 HB1 ALA 70 1HB ALA 70 -0.250 -8.223 -0.233 508 HB2 ALA 70 2HB ALA 70 -0.850 -8.962 -1.717 509 HB3 ALA 70 3HB ALA 70 -0.448 -9.973 -0.329 510 H LYS 71 H LYS 71 -2.671 -11.188 0.832 511 HA LYS 71 HA LYS 71 -3.852 -12.386 -1.487 512 HB2 LYS 71 2HB LYS 71 -2.463 -13.693 0.041 513 HB3 LYS 71 1HB LYS 71 -3.601 -13.403 1.347 514 HG2 LYS 71 2HG LYS 71 -5.334 -14.569 -0.013 515 HG3 LYS 71 1HG LYS 71 -4.070 -14.995 -1.159 516 HD2 LYS 71 2HD LYS 71 -4.056 -15.741 1.770 517 HD3 LYS 71 1HD LYS 71 -4.564 -16.816 0.471 518 HE2 LYS 71 2HE LYS 71 -2.314 -16.695 -0.495 519 HE3 LYS 71 1HE LYS 71 -1.818 -15.603 0.798 520 HZ1 LYS 71 3HZ LYS 71 -1.170 -17.920 1.167 521 HZ2 LYS 71 1HZ LYS 71 -2.782 -18.382 1.223 522 HZ3 LYS 71 2HZ LYS 71 -2.151 -17.354 2.401 523 H VAL 72 H VAL 72 -5.014 -11.511 1.750 524 HA VAL 72 HA VAL 72 -7.639 -12.415 1.382 525 HB VAL 72 HB VAL 72 -6.708 -10.206 3.238 526 HG11 VAL 72 1HG1 VAL 72 -9.108 -10.224 2.960 527 HG12 VAL 72 2HG1 VAL 72 -8.650 -10.779 4.570 528 HG13 VAL 72 3HG1 VAL 72 -9.160 -11.950 3.346 529 HG21 VAL 72 3HG2 VAL 72 -6.595 -11.959 4.951 530 HG22 VAL 72 1HG2 VAL 72 -5.452 -12.211 3.635 531 HG23 VAL 72 2HG2 VAL 72 -6.931 -13.177 3.712 532 H LEU 73 H LEU 73 -6.441 -9.047 1.267 533 HA LEU 73 HA LEU 73 -8.905 -8.156 0.105 534 HB2 LEU 73 2HB LEU 73 -6.292 -6.755 0.512 535 HB3 LEU 73 1HB LEU 73 -7.739 -5.989 -0.107 536 HG LEU 73 HG LEU 73 -7.426 -7.223 2.616 537 HD11 LEU 73 1HD1 LEU 73 -7.679 -4.348 1.744 538 HD12 LEU 73 2HD1 LEU 73 -6.202 -5.126 2.296 539 HD13 LEU 73 3HD1 LEU 73 -7.549 -4.919 3.411 540 HD21 LEU 73 3HD2 LEU 73 -9.693 -7.500 1.799 541 HD22 LEU 73 1HD2 LEU 73 -9.748 -5.810 1.309 542 HD23 LEU 73 2HD2 LEU 73 -9.675 -6.239 3.009 543 H SER 74 H SER 74 -6.341 -9.726 -1.301 544 HA SER 74 HA SER 74 -5.368 -9.805 -3.288 545 HB2 SER 74 2HB SER 74 -6.965 -9.757 -5.299 546 HB3 SER 74 1HB SER 74 -7.386 -10.884 -4.015 547 HG SER 74 HG SER 74 -8.433 -8.388 -3.700 548 H LEU 75 H LEU 75 -4.159 -7.990 -2.648 549 HA LEU 75 HA LEU 75 -4.713 -5.384 -3.735 550 HB2 LEU 75 2HB LEU 75 -2.225 -6.450 -2.410 551 HB3 LEU 75 1HB LEU 75 -2.597 -4.762 -2.715 552 HG LEU 75 HG LEU 75 -4.111 -6.581 -0.846 553 HD11 LEU 75 1HD1 LEU 75 -3.172 -5.215 0.918 554 HD12 LEU 75 2HD1 LEU 75 -2.220 -4.313 -0.271 555 HD13 LEU 75 3HD1 LEU 75 -1.917 -6.035 -0.010 556 HD21 LEU 75 3HD2 LEU 75 -5.556 -4.951 -1.824 557 HD22 LEU 75 1HD2 LEU 75 -4.428 -3.646 -1.438 558 HD23 LEU 75 2HD2 LEU 75 -5.242 -4.528 -0.138 559 H ALA 76 H ALA 76 -2.454 -4.371 -4.671 560 HA ALA 76 HA ALA 76 -1.670 -6.072 -6.915 561 HB1 ALA 76 1HB ALA 76 -2.412 -3.159 -7.136 562 HB2 ALA 76 2HB ALA 76 -3.378 -4.508 -7.726 563 HB3 ALA 76 3HB ALA 76 -1.797 -4.173 -8.439 564 H ALA 77 H ALA 77 -1.035 -3.244 -4.910 565 HA ALA 77 HA ALA 77 1.751 -4.019 -5.010 566 HB1 ALA 77 1HB ALA 77 2.454 -1.713 -5.259 567 HB2 ALA 77 2HB ALA 77 0.780 -1.200 -5.406 568 HB3 ALA 77 3HB ALA 77 1.496 -2.247 -6.629 569 H VAL 78 H VAL 78 2.942 -3.186 -3.311 570 HA VAL 78 HA VAL 78 1.514 -1.971 -1.054 571 HB VAL 78 HB VAL 78 1.553 -4.364 -0.555 572 HG11 VAL 78 1HG1 VAL 78 3.805 -5.514 -0.210 573 HG12 VAL 78 2HG1 VAL 78 4.524 -4.090 -1.019 574 HG13 VAL 78 3HG1 VAL 78 3.399 -5.111 -1.881 575 HG21 VAL 78 3HG2 VAL 78 2.744 -4.346 1.623 576 HG22 VAL 78 1HG2 VAL 78 1.797 -2.878 1.356 577 HG23 VAL 78 2HG2 VAL 78 3.544 -2.849 1.137 578 H GLN 79 H GLN 79 2.846 -0.499 0.165 579 HA GLN 79 HA GLN 79 5.369 0.050 -1.103 580 HB2 GLN 79 2HB GLN 79 3.279 1.605 0.237 581 HB3 GLN 79 1HB GLN 79 4.909 2.210 0.272 582 HG2 GLN 79 2HG GLN 79 3.804 3.235 -1.564 583 HG3 GLN 79 1HG GLN 79 4.895 2.032 -2.241 584 HE21 GLN 79 1HE2 GLN 79 3.968 0.072 -3.098 585 HE22 GLN 79 2HE2 GLN 79 2.312 0.079 -3.584 586 H LEU 80 H LEU 80 6.980 -0.838 -0.091 587 HA LEU 80 HA LEU 80 7.222 -0.563 2.795 588 HB2 LEU 80 2HB LEU 80 8.390 -2.695 0.997 589 HB3 LEU 80 1HB LEU 80 8.703 -2.537 2.715 590 HG LEU 80 HG LEU 80 6.025 -3.168 1.479 591 HD11 LEU 80 1HD1 LEU 80 6.339 -5.366 2.441 592 HD12 LEU 80 2HD1 LEU 80 7.938 -4.895 3.017 593 HD13 LEU 80 3HD1 LEU 80 7.617 -4.987 1.287 594 HD21 LEU 80 3HD2 LEU 80 6.879 -3.049 4.368 595 HD22 LEU 80 1HD2 LEU 80 5.309 -3.586 3.770 596 HD23 LEU 80 2HD2 LEU 80 5.804 -1.911 3.552 597 H HIS 81 H HIS 81 8.294 1.252 2.861 598 HA HIS 81 HA HIS 81 10.740 1.502 1.201 599 HB2 HIS 81 2HB HIS 81 10.326 3.924 1.104 600 HB3 HIS 81 1HB HIS 81 8.999 3.013 0.403 601 HD1 HIS 81 1HD HIS 81 9.493 5.893 2.521 602 HD2 HIS 81 2HD HIS 81 6.831 2.677 2.530 603 HE1 HIS 81 1HE HIS 81 7.552 6.585 3.928 604 H GLY 82 H GLY 82 9.382 1.642 4.265 605 HA2 GLY 82 2HA GLY 82 11.385 3.522 5.242 606 HA3 GLY 82 1HA GLY 82 9.972 3.010 6.116 607 H ASN 83 H ASN 83 10.388 0.246 6.241 608 HA ASN 83 HA ASN 83 11.994 0.669 8.568 609 HB2 ASN 83 2HB ASN 83 10.993 -1.397 9.418 610 HB3 ASN 83 1HB ASN 83 9.885 -0.080 9.059 611 HD21 ASN 83 1HD2 ASN 83 9.309 -2.845 9.359 612 HD22 ASN 83 2HD2 ASN 83 8.674 -3.431 7.855 613 H GLU 84 H GLU 84 12.012 -2.284 6.438 614 HA GLU 84 HA GLU 84 14.015 -3.000 8.379 615 HB2 GLU 84 2HB GLU 84 12.463 -4.808 6.613 616 HB3 GLU 84 1HB GLU 84 13.742 -5.358 7.686 617 HG2 GLU 84 2HG GLU 84 11.180 -3.973 8.467 618 HG3 GLU 84 1HG GLU 84 11.631 -5.643 8.793 619 H GLU 85 H GLU 85 14.174 -3.094 4.805 620 HA GLU 85 HA GLU 85 17.018 -2.908 4.914 621 HB2 GLU 85 2HB GLU 85 16.132 -5.409 5.617 622 HB3 GLU 85 1HB GLU 85 16.365 -5.585 3.885 623 HG2 GLU 85 2HG GLU 85 18.435 -4.640 5.851 624 HG3 GLU 85 1HG GLU 85 18.319 -6.256 5.165 625 H GLN 86 H GLN 86 17.969 -3.387 2.642 626 HA GLN 86 HA GLN 86 16.426 -2.106 0.629 627 HB2 GLN 86 2HB GLN 86 19.022 -3.638 0.522 628 HB3 GLN 86 1HB GLN 86 18.451 -2.440 -0.616 629 HG2 GLN 86 2HG GLN 86 19.145 -1.861 2.249 630 HG3 GLN 86 1HG GLN 86 20.269 -1.694 0.911 631 HE21 GLN 86 1HE2 GLN 86 17.432 -0.457 2.403 632 HE22 GLN 86 2HE2 GLN 86 17.423 1.070 1.572 633 H LEU 87 H LEU 87 17.827 -5.169 1.357 634 HA LEU 87 HA LEU 87 16.916 -6.339 -1.042 635 HB2 LEU 87 2HB LEU 87 18.393 -7.562 1.224 636 HB3 LEU 87 1HB LEU 87 18.120 -8.330 -0.338 637 HG LEU 87 HG LEU 87 19.524 -5.778 0.136 638 HD11 LEU 87 1HD1 LEU 87 20.826 -7.600 0.976 639 HD12 LEU 87 2HD1 LEU 87 21.582 -7.049 -0.523 640 HD13 LEU 87 3HD1 LEU 87 20.610 -8.531 -0.508 641 HD21 LEU 87 3HD2 LEU 87 20.283 -6.030 -2.236 642 HD22 LEU 87 1HD2 LEU 87 18.580 -5.671 -1.965 643 HD23 LEU 87 2HD2 LEU 87 19.068 -7.315 -2.398 644 H TYR 88 H TYR 88 15.618 -6.031 2.024 645 HA TYR 88 HA TYR 88 14.155 -8.405 2.343 646 HB2 TYR 88 2HB TYR 88 14.249 -6.906 4.187 647 HB3 TYR 88 1HB TYR 88 13.609 -5.578 3.230 648 HD1 TYR 88 2HD TYR 88 12.464 -9.082 4.014 649 HD2 TYR 88 1HD TYR 88 11.541 -4.946 3.857 650 HE1 TYR 88 2HE TYR 88 10.208 -9.586 4.799 651 HE2 TYR 88 1HE TYR 88 9.241 -5.437 4.716 652 HH TYR 88 HH TYR 88 8.451 -8.266 6.143 653 H ILE 89 H ILE 89 13.547 -5.566 0.417 654 HA ILE 89 HA ILE 89 10.890 -6.111 -0.276 655 HB ILE 89 HB ILE 89 13.075 -4.356 -1.312 656 HG12 ILE 89 2HG1 ILE 89 11.461 -2.555 -0.815 657 HG13 ILE 89 1HG1 ILE 89 10.265 -3.767 -0.373 658 HG21 ILE 89 1HG2 ILE 89 10.452 -4.742 -2.713 659 HG22 ILE 89 2HG2 ILE 89 12.054 -5.165 -3.330 660 HG23 ILE 89 3HG2 ILE 89 11.631 -3.468 -3.057 661 HD11 ILE 89 3HD1 ILE 89 12.861 -3.283 1.066 662 HD12 ILE 89 1HD1 ILE 89 11.594 -4.409 1.530 663 HD13 ILE 89 2HD1 ILE 89 11.281 -2.673 1.567 664 H ASP 90 H ASP 90 13.905 -7.055 -1.535 665 HA ASP 90 HA ASP 90 13.183 -8.362 -3.936 666 HB2 ASP 90 2HB ASP 90 15.462 -7.733 -3.218 667 HB3 ASP 90 1HB ASP 90 15.393 -8.959 -2.000 668 H THR 91 H THR 91 12.832 -9.201 -0.656 669 HA THR 91 HA THR 91 12.588 -12.052 -1.019 670 HB THR 91 HB THR 91 12.192 -10.224 1.341 671 HG1 THR 91 1HG THR 91 14.323 -11.778 0.365 672 HG21 THR 91 3HG2 THR 91 10.913 -12.123 1.469 673 HG22 THR 91 1HG2 THR 91 12.182 -12.252 2.699 674 HG23 THR 91 2HG2 THR 91 12.290 -13.224 1.199 675 H LEU 92 H LEU 92 10.490 -9.279 -0.349 676 HA LEU 92 HA LEU 92 8.091 -10.512 0.021 677 HB2 LEU 92 2HB LEU 92 8.833 -7.915 -1.202 678 HB3 LEU 92 1HB LEU 92 7.146 -8.415 -1.282 679 HG LEU 92 HG LEU 92 7.352 -6.919 0.527 680 HD11 LEU 92 1HD1 LEU 92 6.730 -8.252 2.412 681 HD12 LEU 92 2HD1 LEU 92 7.533 -9.609 1.634 682 HD13 LEU 92 3HD1 LEU 92 6.036 -8.963 0.923 683 HD21 LEU 92 3HD2 LEU 92 8.902 -7.304 2.391 684 HD22 LEU 92 1HD2 LEU 92 9.711 -6.916 0.878 685 HD23 LEU 92 2HD2 LEU 92 9.661 -8.583 1.446 686 H ARG 93 H ARG 93 9.589 -9.526 -2.914 687 HA ARG 93 HA ARG 93 8.014 -10.133 -5.020 688 HB2 ARG 93 2HB ARG 93 10.805 -11.245 -4.904 689 HB3 ARG 93 1HB ARG 93 9.914 -10.732 -6.320 690 HG2 ARG 93 2HG ARG 93 11.180 -9.077 -4.191 691 HG3 ARG 93 1HG ARG 93 11.471 -9.060 -5.935 692 HD2 ARG 93 2HD ARG 93 9.132 -8.234 -4.401 693 HD3 ARG 93 1HD ARG 93 10.217 -7.180 -5.271 694 HE ARG 93 HE ARG 93 8.768 -9.259 -6.820 695 HH11 ARG 93 1HH1 ARG 93 9.270 -5.780 -6.493 696 HH12 ARG 93 2HH1 ARG 93 8.238 -5.411 -7.807 697 HH21 ARG 93 1HH2 ARG 93 7.388 -8.756 -8.516 698 HH22 ARG 93 2HH2 ARG 93 7.113 -7.144 -8.976 699 H GLU 94 H GLU 94 9.681 -12.300 -3.067 700 HA GLU 94 HA GLU 94 9.227 -14.674 -4.665 701 HB2 GLU 94 2HB GLU 94 10.172 -14.559 -1.822 702 HB3 GLU 94 1HB GLU 94 10.352 -15.895 -2.952 703 HG2 GLU 94 2HG GLU 94 11.747 -14.455 -4.376 704 HG3 GLU 94 1HG GLU 94 11.591 -13.192 -3.148 705 H ALA 95 H ALA 95 7.940 -13.456 -1.644 706 HA ALA 95 HA ALA 95 6.207 -15.779 -1.411 707 HB1 ALA 95 1HB ALA 95 7.328 -14.878 0.598 708 HB2 ALA 95 2HB ALA 95 5.578 -14.994 0.763 709 HB3 ALA 95 3HB ALA 95 6.329 -13.426 0.462 710 H LEU 96 H LEU 96 5.997 -12.913 -2.868 711 HA LEU 96 HA LEU 96 3.020 -12.858 -2.915 712 HB2 LEU 96 2HB LEU 96 5.058 -10.805 -3.792 713 HB3 LEU 96 1HB LEU 96 3.324 -10.636 -3.946 714 HG LEU 96 HG LEU 96 4.826 -10.804 -1.327 715 HD11 LEU 96 1HD1 LEU 96 4.268 -8.448 -1.087 716 HD12 LEU 96 2HD1 LEU 96 3.540 -8.449 -2.692 717 HD13 LEU 96 3HD1 LEU 96 5.272 -8.721 -2.511 718 HD21 LEU 96 3HD2 LEU 96 1.917 -10.244 -1.911 719 HD22 LEU 96 1HD2 LEU 96 2.688 -10.154 -0.328 720 HD23 LEU 96 2HD2 LEU 96 2.563 -11.702 -1.161 721 HA PRO 97 HA PRO 97 3.295 -14.428 -7.017 722 HB2 PRO 97 2HB PRO 97 0.916 -13.532 -7.991 723 HB3 PRO 97 1HB PRO 97 1.028 -14.930 -6.913 724 HG2 PRO 97 2HG PRO 97 0.309 -12.110 -6.308 725 HG3 PRO 97 1HG PRO 97 -0.420 -13.603 -5.682 726 HD2 PRO 97 2HD PRO 97 1.360 -12.116 -4.256 727 HD3 PRO 97 1HD PRO 97 1.233 -13.878 -4.088 728 H ALA 98 H ALA 98 3.235 -13.520 -9.225 729 HA ALA 98 HA ALA 98 4.959 -11.294 -9.344 730 HB1 ALA 98 1HB ALA 98 4.978 -13.103 -10.974 731 HB2 ALA 98 2HB ALA 98 4.775 -11.528 -11.766 732 HB3 ALA 98 3HB ALA 98 3.382 -12.590 -11.521 733 H HIS 99 H HIS 99 1.556 -11.522 -9.524 734 HA HIS 99 HA HIS 99 1.329 -8.880 -10.627 735 HB2 HIS 99 2HB HIS 99 -1.218 -9.357 -10.495 736 HB3 HIS 99 1HB HIS 99 -0.258 -10.219 -11.673 737 HD1 HIS 99 1HD HIS 99 -0.851 -12.619 -11.818 738 HD2 HIS 99 2HD HIS 99 -1.346 -10.967 -8.104 739 HE1 HIS 99 1HE HIS 99 -1.852 -14.461 -10.434 740 H VAL 100 H VAL 100 1.887 -9.837 -7.435 741 HA VAL 100 HA VAL 100 0.581 -7.429 -6.578 742 HB VAL 100 HB VAL 100 1.706 -9.802 -5.072 743 HG11 VAL 100 1HG1 VAL 100 0.373 -7.316 -4.075 744 HG12 VAL 100 2HG1 VAL 100 2.098 -7.704 -4.051 745 HG13 VAL 100 3HG1 VAL 100 0.966 -8.670 -3.069 746 HG21 VAL 100 3HG2 VAL 100 -1.138 -8.821 -5.272 747 HG22 VAL 100 1HG2 VAL 100 -0.586 -10.202 -4.327 748 HG23 VAL 100 2HG2 VAL 100 -0.499 -10.239 -6.096 749 H ALA 101 H ALA 101 1.952 -5.848 -6.076 750 HA ALA 101 HA ALA 101 4.780 -6.436 -6.606 751 HB1 ALA 101 1HB ALA 101 4.933 -4.312 -7.753 752 HB2 ALA 101 2HB ALA 101 3.229 -4.000 -7.431 753 HB3 ALA 101 3HB ALA 101 3.697 -5.335 -8.487 754 H ILE 102 H ILE 102 6.122 -4.472 -5.975 755 HA ILE 102 HA ILE 102 5.330 -3.499 -3.341 756 HB ILE 102 HB ILE 102 8.072 -4.391 -4.242 757 HG12 ILE 102 2HG1 ILE 102 7.979 -5.839 -2.078 758 HG13 ILE 102 1HG1 ILE 102 6.244 -5.589 -2.142 759 HG21 ILE 102 1HG2 ILE 102 7.240 -2.877 -1.837 760 HG22 ILE 102 2HG2 ILE 102 8.352 -2.480 -3.152 761 HG23 ILE 102 3HG2 ILE 102 8.820 -3.711 -1.950 762 HD11 ILE 102 3HD1 ILE 102 7.704 -6.676 -4.497 763 HD12 ILE 102 1HD1 ILE 102 6.020 -6.888 -4.091 764 HD13 ILE 102 2HD1 ILE 102 7.320 -7.765 -3.208 765 H TRP 103 H TRP 103 5.625 -1.358 -3.235 766 HA TRP 103 HA TRP 103 7.340 -0.084 -5.325 767 HB2 TRP 103 2HB TRP 103 4.908 1.171 -4.072 768 HB3 TRP 103 1HB TRP 103 5.980 1.905 -5.244 769 HD1 TRP 103 HD TRP 103 5.811 -1.090 -6.907 770 HE1 TRP 103 1HE TRP 103 3.811 -1.330 -8.456 771 HE3 TRP 103 3HE TRP 103 3.009 2.575 -4.937 772 HZ2 TRP 103 2HZ TRP 103 1.275 -0.040 -8.796 773 HZ3 TRP 103 3HZ TRP 103 0.788 3.083 -5.939 774 HH2 TRP 103 HH TRP 103 -0.029 1.788 -7.839 775 H LYS 104 H LYS 104 8.411 1.771 -4.716 776 HA LYS 104 HA LYS 104 8.824 1.883 -1.832 777 HB2 LYS 104 2HB LYS 104 10.881 1.756 -3.309 778 HB3 LYS 104 1HB LYS 104 10.419 3.325 -3.975 779 HG2 LYS 104 2HG LYS 104 10.301 4.046 -1.459 780 HG3 LYS 104 1HG LYS 104 11.322 2.631 -1.230 781 HD2 LYS 104 2HD LYS 104 13.058 3.603 -2.606 782 HD3 LYS 104 1HD LYS 104 12.007 4.964 -3.034 783 HE2 LYS 104 2HE LYS 104 11.879 5.576 -0.624 784 HE3 LYS 104 1HE LYS 104 13.005 4.284 -0.255 785 HZ1 LYS 104 3HZ LYS 104 14.206 6.317 -0.324 786 HZ2 LYS 104 1HZ LYS 104 13.599 6.751 -1.843 787 HZ3 LYS 104 2HZ LYS 104 14.649 5.453 -1.678 788 H ALA 105 H ALA 105 7.484 3.294 -0.932 789 HA ALA 105 HA ALA 105 6.514 5.593 -2.286 790 HB1 ALA 105 1HB ALA 105 5.813 6.342 -0.035 791 HB2 ALA 105 2HB ALA 105 6.799 5.079 0.694 792 HB3 ALA 105 3HB ALA 105 5.389 4.648 -0.272 793 H LEU 106 H LEU 106 7.821 7.135 -2.959 794 HA LEU 106 HA LEU 106 10.545 7.047 -2.290 795 HB2 LEU 106 2HB LEU 106 9.707 7.568 -4.513 796 HB3 LEU 106 1HB LEU 106 9.018 9.059 -3.916 797 HG LEU 106 HG LEU 106 11.360 9.801 -3.337 798 HD11 LEU 106 1HD1 LEU 106 12.437 7.621 -3.287 799 HD12 LEU 106 2HD1 LEU 106 13.209 8.678 -4.472 800 HD13 LEU 106 3HD1 LEU 106 12.103 7.414 -5.008 801 HD21 LEU 106 3HD2 LEU 106 10.751 9.222 -6.236 802 HD22 LEU 106 1HD2 LEU 106 11.916 10.403 -5.643 803 HD23 LEU 106 2HD2 LEU 106 10.198 10.620 -5.315 804 H SER 107 H SER 107 10.719 7.469 -0.162 805 HA SER 107 HA SER 107 10.161 9.999 0.957 806 HB2 SER 107 2HB SER 107 12.172 7.886 1.767 807 HB3 SER 107 1HB SER 107 11.442 9.113 2.808 808 HG SER 107 HG SER 107 9.412 8.173 2.312 809 H VAL 108 H VAL 108 11.360 11.755 0.675 810 HA VAL 108 HA VAL 108 13.500 11.657 -1.217 811 HB VAL 108 HB VAL 108 13.561 14.144 -0.972 812 HG11 VAL 108 1HG1 VAL 108 11.388 14.527 -2.046 813 HG12 VAL 108 2HG1 VAL 108 10.856 12.928 -1.523 814 HG13 VAL 108 3HG1 VAL 108 12.182 13.084 -2.674 815 HG21 VAL 108 3HG2 VAL 108 11.739 15.245 0.275 816 HG22 VAL 108 1HG2 VAL 108 12.800 14.324 1.346 817 HG23 VAL 108 2HG2 VAL 108 11.225 13.675 0.890 818 H GLY 109 H GLY 109 15.562 12.594 -0.894 819 HA2 GLY 109 2HA GLY 109 16.707 13.471 1.398 820 HA3 GLY 109 1HA GLY 109 16.744 11.715 1.541 821 H GLU 110 H GLU 110 18.794 13.854 1.059 822 HA GLU 110 HA GLU 110 19.833 13.142 -1.539 823 HB2 GLU 110 2HB GLU 110 20.985 14.927 0.612 824 HB3 GLU 110 1HB GLU 110 21.561 14.796 -1.042 825 HG2 GLU 110 2HG GLU 110 18.852 15.824 -0.203 826 HG3 GLU 110 1HG GLU 110 20.219 16.813 -0.708 827 H THR 111 H THR 111 21.916 12.191 -1.822 828 HA THR 111 HA THR 111 23.683 10.895 -1.452 829 HB THR 111 HB THR 111 23.228 11.126 1.561 830 HG1 THR 111 1HG THR 111 24.197 13.063 1.468 831 HG21 THR 111 3HG2 THR 111 24.935 9.465 0.830 832 HG22 THR 111 1HG2 THR 111 25.673 10.830 1.668 833 HG23 THR 111 2HG2 THR 111 25.746 10.732 -0.090 834 H LEU 112 H LEU 112 20.925 9.981 -1.690 835 HA LEU 112 HA LEU 112 21.338 7.227 -0.762 836 HB2 LEU 112 2HB LEU 112 18.758 8.695 -1.357 837 HB3 LEU 112 1HB LEU 112 18.827 6.953 -1.357 838 HG LEU 112 HG LEU 112 17.883 7.628 0.690 839 HD11 LEU 112 1HD1 LEU 112 19.393 6.738 2.354 840 HD12 LEU 112 2HD1 LEU 112 20.735 6.880 1.225 841 HD13 LEU 112 3HD1 LEU 112 19.402 5.779 0.876 842 HD21 LEU 112 3HD2 LEU 112 18.958 9.157 2.275 843 HD22 LEU 112 1HD2 LEU 112 18.603 9.951 0.742 844 HD23 LEU 112 2HD2 LEU 112 20.250 9.450 1.110 845 HA PRO 113 HA PRO 113 21.933 6.416 -5.121 846 HB2 PRO 113 2HB PRO 113 21.208 3.617 -4.550 847 HB3 PRO 113 1HB PRO 113 22.743 4.269 -5.131 848 HG2 PRO 113 2HG PRO 113 22.483 3.297 -2.635 849 HG3 PRO 113 1HG PRO 113 23.529 4.678 -3.002 850 HD2 PRO 113 2HD PRO 113 20.784 4.650 -1.809 851 HD3 PRO 113 1HD PRO 113 22.214 5.608 -1.357 852 H ALA 114 H ALA 114 20.681 5.644 -6.984 853 HA ALA 114 HA ALA 114 17.900 6.186 -6.703 854 HB1 ALA 114 1HB ALA 114 19.099 6.726 -8.774 855 HB2 ALA 114 2HB ALA 114 17.732 5.662 -9.098 856 HB3 ALA 114 3HB ALA 114 19.372 5.015 -9.072 857 H ARG 115 H ARG 115 19.801 3.256 -7.113 858 HA ARG 115 HA ARG 115 17.376 1.758 -6.543 859 HB2 ARG 115 2HB ARG 115 18.691 -0.299 -6.953 860 HB3 ARG 115 1HB ARG 115 18.638 0.744 -8.361 861 HG2 ARG 115 2HG ARG 115 20.895 1.462 -7.970 862 HG3 ARG 115 1HG ARG 115 20.945 0.599 -6.433 863 HD2 ARG 115 2HD ARG 115 20.761 -1.516 -7.588 864 HD3 ARG 115 1HD ARG 115 20.578 -0.688 -9.134 865 HE ARG 115 HE ARG 115 22.806 0.227 -8.740 866 HH11 ARG 115 1HH1 ARG 115 21.944 -2.874 -7.182 867 HH12 ARG 115 2HH1 ARG 115 23.544 -3.391 -7.057 868 HH21 ARG 115 1HH2 ARG 115 24.974 -0.526 -8.591 869 HH22 ARG 115 2HH2 ARG 115 25.319 -2.038 -7.871 870 H GLU 116 H GLU 116 16.959 1.198 -4.650 871 HA GLU 116 HA GLU 116 19.088 1.128 -2.606 872 HB2 GLU 116 2HB GLU 116 16.229 2.072 -2.289 873 HB3 GLU 116 1HB GLU 116 17.430 1.964 -1.017 874 HG2 GLU 116 2HG GLU 116 18.629 3.777 -1.885 875 HG3 GLU 116 1HG GLU 116 17.766 3.702 -3.426 876 H PHE 117 H PHE 117 15.658 0.537 -2.739 877 HA PHE 117 HA PHE 117 15.961 -2.073 -1.589 878 HB2 PHE 117 2HB PHE 117 13.503 -0.501 -2.420 879 HB3 PHE 117 1HB PHE 117 13.512 -1.987 -1.479 880 HD1 PHE 117 2HD PHE 117 14.295 -1.986 0.794 881 HD2 PHE 117 1HD PHE 117 14.024 1.618 -1.412 882 HE1 PHE 117 2HE PHE 117 14.482 -0.698 2.890 883 HE2 PHE 117 1HE PHE 117 14.215 2.920 0.672 884 HZ PHE 117 HZ PHE 117 14.444 1.755 2.822 885 H GLN 118 H GLN 118 16.658 -3.433 -3.074 886 HA GLN 118 HA GLN 118 15.924 -3.058 -5.747 887 HB2 GLN 118 2HB GLN 118 17.736 -4.935 -4.439 888 HB3 GLN 118 1HB GLN 118 16.958 -5.466 -5.936 889 HG2 GLN 118 2HG GLN 118 17.696 -3.525 -7.075 890 HG3 GLN 118 1HG GLN 118 18.481 -2.892 -5.623 891 HE21 GLN 118 1HE2 GLN 118 18.505 -6.260 -6.589 892 HE22 GLN 118 2HE2 GLN 118 20.192 -6.343 -6.920 893 H HIS 119 H HIS 119 14.786 -3.935 -6.995 894 HA HIS 119 HA HIS 119 13.302 -4.969 -7.915 895 HB2 HIS 119 2HB HIS 119 13.503 -6.963 -5.717 896 HB3 HIS 119 1HB HIS 119 12.102 -7.045 -6.787 897 HD1 HIS 119 1HD HIS 119 15.107 -8.740 -6.545 898 HD2 HIS 119 2HD HIS 119 13.336 -6.595 -9.634 899 HE1 HIS 119 1HE HIS 119 16.118 -9.603 -8.677 900 H VAL 120 H VAL 120 12.856 -2.731 -6.322 901 HA VAL 120 HA VAL 120 10.081 -3.084 -5.634 902 HB VAL 120 HB VAL 120 9.820 -0.676 -5.384 903 HG11 VAL 120 1HG1 VAL 120 12.295 -1.647 -4.043 904 HG12 VAL 120 2HG1 VAL 120 10.626 -1.725 -3.457 905 HG13 VAL 120 3HG1 VAL 120 11.440 -0.173 -3.609 906 HG21 VAL 120 3HG2 VAL 120 11.127 0.206 -7.159 907 HG22 VAL 120 1HG2 VAL 120 12.639 -0.373 -6.425 908 HG23 VAL 120 2HG2 VAL 120 11.697 0.897 -5.634 909 H ASP 121 H ASP 121 8.416 -2.550 -6.814 910 HA ASP 121 HA ASP 121 8.823 -3.125 -9.609 911 HB2 ASP 121 2HB ASP 121 6.956 -4.148 -8.602 912 HB3 ASP 121 1HB ASP 121 6.366 -2.632 -7.956 913 H LYS 122 H LYS 122 7.623 -0.369 -7.829 914 HA LYS 122 HA LYS 122 8.316 1.438 -9.931 915 HB2 LYS 122 2HB LYS 122 5.401 1.108 -9.040 916 HB3 LYS 122 1HB LYS 122 5.985 2.538 -9.836 917 HG2 LYS 122 2HG LYS 122 6.655 1.007 -11.802 918 HG3 LYS 122 1HG LYS 122 5.760 -0.228 -10.901 919 HD2 LYS 122 2HD LYS 122 4.431 2.343 -11.549 920 HD3 LYS 122 1HD LYS 122 4.539 1.053 -12.748 921 HE2 LYS 122 2HE LYS 122 3.621 0.593 -9.984 922 HE3 LYS 122 1HE LYS 122 2.456 1.073 -11.247 923 HZ1 LYS 122 3HZ LYS 122 2.440 -1.291 -11.062 924 HZ2 LYS 122 1HZ LYS 122 4.120 -1.378 -10.996 925 HZ3 LYS 122 2HZ LYS 122 3.344 -0.971 -12.444 926 H TYR 123 H TYR 123 8.124 3.665 -9.060 927 HA TYR 123 HA TYR 123 8.009 3.569 -6.145 928 HB2 TYR 123 2HB TYR 123 9.533 5.416 -5.980 929 HB3 TYR 123 1HB TYR 123 10.270 4.215 -7.024 930 HD1 TYR 123 2HD TYR 123 10.278 4.607 -9.467 931 HD2 TYR 123 1HD TYR 123 9.076 7.560 -6.699 932 HE1 TYR 123 2HE TYR 123 10.580 6.293 -11.172 933 HE2 TYR 123 1HE TYR 123 9.355 9.275 -8.349 934 HH TYR 123 HH TYR 123 10.623 9.623 -10.453 935 H VAL 124 H VAL 124 6.996 5.227 -5.106 936 HA VAL 124 HA VAL 124 5.153 6.791 -6.734 937 HB VAL 124 HB VAL 124 4.077 4.691 -5.995 938 HG11 VAL 124 1HG1 VAL 124 4.604 5.620 -3.201 939 HG12 VAL 124 2HG1 VAL 124 5.229 4.172 -4.009 940 HG13 VAL 124 3HG1 VAL 124 3.514 4.303 -3.631 941 HG21 VAL 124 3HG2 VAL 124 2.664 6.693 -6.276 942 HG22 VAL 124 1HG2 VAL 124 2.849 7.030 -4.554 943 HG23 VAL 124 2HG2 VAL 124 2.009 5.569 -5.084 944 H LEU 125 H LEU 125 4.038 8.303 -4.896 945 HA LEU 125 HA LEU 125 6.302 9.717 -3.798 946 HB2 LEU 125 2HB LEU 125 4.780 11.423 -2.982 947 HB3 LEU 125 1HB LEU 125 4.404 11.035 -4.641 948 HG LEU 125 HG LEU 125 2.795 9.824 -2.392 949 HD11 LEU 125 1HD1 LEU 125 2.833 12.257 -2.054 950 HD12 LEU 125 2HD1 LEU 125 1.252 11.695 -2.589 951 HD13 LEU 125 3HD1 LEU 125 2.339 12.486 -3.732 952 HD21 LEU 125 3HD2 LEU 125 1.044 9.796 -4.090 953 HD22 LEU 125 1HD2 LEU 125 2.468 8.938 -4.674 954 HD23 LEU 125 2HD2 LEU 125 2.126 10.568 -5.244 955 H ASP 126 H ASP 126 6.356 10.440 -1.482 956 HA ASP 126 HA ASP 126 6.338 8.181 0.211 957 HB2 ASP 126 2HB ASP 126 7.849 10.143 0.538 958 HB3 ASP 126 1HB ASP 126 6.453 11.099 1.021 959 H ASN 127 H ASN 127 4.534 7.258 0.830 960 HA ASN 127 HA ASN 127 2.186 8.914 1.389 961 HB2 ASN 127 2HB ASN 127 2.403 5.985 0.639 962 HB3 ASN 127 1HB ASN 127 0.929 6.778 1.212 963 HD21 ASN 127 1HD2 ASN 127 1.174 9.171 -0.050 964 HD22 ASN 127 2HD2 ASN 127 0.950 8.931 -1.748 965 H GLY 128 H GLY 128 4.535 8.264 3.148 966 HA2 GLY 128 2HA GLY 128 3.174 6.791 5.264 967 HA3 GLY 128 1HA GLY 128 4.879 7.255 5.230 968 H GLN 129 H GLN 129 3.707 7.847 7.497 969 HA GLN 129 HA GLN 129 3.603 10.721 7.377 970 HB2 GLN 129 2HB GLN 129 1.234 9.910 7.204 971 HB3 GLN 129 1HB GLN 129 1.427 9.153 8.776 972 HG2 GLN 129 2HG GLN 129 0.257 11.306 8.901 973 HG3 GLN 129 1HG GLN 129 1.764 11.304 9.812 974 HE21 GLN 129 1HE2 GLN 129 0.192 12.452 6.906 975 HE22 GLN 129 2HE2 GLN 129 1.311 13.728 6.604 976 H GLY 130 H GLY 130 5.263 11.115 8.594 977 HA2 GLY 130 2HA GLY 130 5.915 11.370 10.968 978 HA3 GLY 130 1HA GLY 130 5.516 9.661 11.146 979 H GLY 131 H GLY 131 7.963 11.786 10.690 980 HA2 GLY 131 2HA GLY 131 10.223 11.005 10.720 981 HA3 GLY 131 1HA GLY 131 9.720 9.640 9.728 982 H ALA 132 H ALA 132 11.703 11.944 9.456 983 HA ALA 132 HA ALA 132 10.806 13.001 6.877 984 HB1 ALA 132 1HB ALA 132 11.705 14.634 8.476 985 HB2 ALA 132 2HB ALA 132 12.733 14.516 7.050 986 HB3 ALA 132 3HB ALA 132 13.218 13.733 8.552 987 H GLY 133 H GLY 133 13.007 10.820 8.386 988 HA2 GLY 133 2HA GLY 133 14.197 10.245 5.775 989 HA3 GLY 133 1HA GLY 133 15.021 10.004 7.314 990 H SER 134 H SER 134 15.085 7.898 5.869 991 HA SER 134 HA SER 134 13.381 6.029 7.192 992 HB2 SER 134 2HB SER 134 13.491 6.250 4.160 993 HB3 SER 134 1HB SER 134 12.705 4.953 5.056 994 HG SER 134 HG SER 134 11.843 7.282 5.981 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -4.452 10.289 -14.895 2 H2 MET 1 2HT MET 1 -5.599 11.456 -14.420 3 H3 MET 1 3HT MET 1 -5.142 10.227 -13.361 4 HA MET 1 HA MET 1 -3.091 10.992 -12.995 5 HB2 MET 1 2HB MET 1 -2.240 13.155 -13.976 6 HB3 MET 1 1HB MET 1 -2.359 11.854 -15.132 7 HG2 MET 1 2HG MET 1 -4.419 14.032 -14.848 8 HG3 MET 1 1HG MET 1 -3.056 14.104 -15.960 9 HE1 MET 1 2HE MET 1 -2.816 11.160 -17.091 10 HE2 MET 1 3HE MET 1 -2.791 12.612 -18.098 11 HE3 MET 1 1HE MET 1 -3.860 11.268 -18.503 12 H GLY 2 H GLY 2 -3.907 11.179 -11.015 13 HA2 GLY 2 2HA GLY 2 -4.099 13.171 -9.439 14 HA3 GLY 2 1HA GLY 2 -5.535 13.546 -10.402 15 H GLU 3 H GLU 3 -6.478 11.112 -10.964 16 HA GLU 3 HA GLU 3 -7.670 9.376 -10.349 17 HB2 GLU 3 2HB GLU 3 -5.510 9.183 -8.255 18 HB3 GLU 3 1HB GLU 3 -6.754 7.960 -8.418 19 HG2 GLU 3 2HG GLU 3 -4.708 7.257 -9.538 20 HG3 GLU 3 1HG GLU 3 -6.004 7.492 -10.702 21 H ASN 4 H ASN 4 -8.370 8.262 -7.941 22 HA ASN 4 HA ASN 4 -9.875 10.308 -6.513 23 HB2 ASN 4 2HB ASN 4 -10.947 7.832 -7.885 24 HB3 ASN 4 1HB ASN 4 -11.687 8.388 -6.400 25 HD21 ASN 4 1HD2 ASN 4 -10.440 10.610 -8.821 26 HD22 ASN 4 2HD2 ASN 4 -11.990 11.160 -9.344 27 H LYS 5 H LYS 5 -7.485 9.145 -6.004 28 HA LYS 5 HA LYS 5 -7.533 6.850 -4.420 29 HB2 LYS 5 2HB LYS 5 -5.358 7.595 -3.476 30 HB3 LYS 5 1HB LYS 5 -5.413 7.679 -5.223 31 HG2 LYS 5 2HG LYS 5 -5.690 10.103 -5.111 32 HG3 LYS 5 1HG LYS 5 -5.710 10.032 -3.348 33 HD2 LYS 5 2HD LYS 5 -3.416 9.014 -3.449 34 HD3 LYS 5 1HD LYS 5 -3.421 9.315 -5.184 35 HE2 LYS 5 2HE LYS 5 -2.215 11.092 -4.066 36 HE3 LYS 5 1HE LYS 5 -3.717 11.733 -4.726 37 HZ1 LYS 5 3HZ LYS 5 -3.257 12.514 -2.449 38 HZ2 LYS 5 1HZ LYS 5 -3.331 10.929 -1.888 39 HZ3 LYS 5 2HZ LYS 5 -4.703 11.653 -2.536 40 H VAL 6 H VAL 6 -9.210 6.784 -3.063 41 HA VAL 6 HA VAL 6 -9.521 8.823 -1.070 42 HB VAL 6 HB VAL 6 -11.480 7.485 -0.326 43 HG11 VAL 6 1HG1 VAL 6 -12.887 8.102 -2.264 44 HG12 VAL 6 2HG1 VAL 6 -11.431 8.296 -3.239 45 HG13 VAL 6 3HG1 VAL 6 -11.723 9.371 -1.875 46 HG21 VAL 6 3HG2 VAL 6 -12.365 5.740 -1.835 47 HG22 VAL 6 1HG2 VAL 6 -10.816 5.280 -1.127 48 HG23 VAL 6 2HG2 VAL 6 -10.890 5.843 -2.796 49 H CYS 7 H CYS 7 -9.184 8.676 0.979 50 HA CYS 7 HA CYS 7 -7.739 6.403 2.087 51 HB2 CYS 7 2HB CYS 7 -8.370 9.172 3.161 52 HB3 CYS 7 1HB CYS 7 -7.364 7.972 3.972 53 HG CYS 7 HG CYS 7 -5.838 7.934 1.384 54 H GLY 8 H GLY 8 -8.583 6.029 4.595 55 HA2 GLY 8 2HA GLY 8 -10.562 4.278 4.390 56 HA3 GLY 8 1HA GLY 8 -10.255 5.185 5.854 57 H LEU 9 H LEU 9 -12.422 4.403 3.465 58 HA LEU 9 HA LEU 9 -14.224 6.558 4.230 59 HB2 LEU 9 2HB LEU 9 -13.385 6.651 1.876 60 HB3 LEU 9 1HB LEU 9 -14.043 5.053 1.617 61 HG LEU 9 HG LEU 9 -16.311 5.910 1.850 62 HD11 LEU 9 1HD1 LEU 9 -16.711 8.314 2.088 63 HD12 LEU 9 2HD1 LEU 9 -14.982 8.588 2.307 64 HD13 LEU 9 3HD1 LEU 9 -15.890 7.669 3.507 65 HD21 LEU 9 3HD2 LEU 9 -14.594 7.580 0.024 66 HD22 LEU 9 1HD2 LEU 9 -16.333 7.328 -0.136 67 HD23 LEU 9 2HD2 LEU 9 -15.222 5.969 -0.324 68 H THR 10 H THR 10 -16.403 5.844 4.602 69 HA THR 10 HA THR 10 -16.428 3.008 5.382 70 HB THR 10 HB THR 10 -18.009 3.886 7.133 71 HG1 THR 10 1HG THR 10 -17.979 6.135 7.394 72 HG21 THR 10 3HG2 THR 10 -16.207 4.903 8.475 73 HG22 THR 10 1HG2 THR 10 -15.294 5.127 6.977 74 HG23 THR 10 2HG2 THR 10 -15.610 3.491 7.573 75 H ARG 11 H ARG 11 -17.818 5.473 3.674 76 HA ARG 11 HA ARG 11 -20.431 4.255 3.529 77 HB2 ARG 11 2HB ARG 11 -19.404 6.756 2.245 78 HB3 ARG 11 1HB ARG 11 -21.077 6.220 2.200 79 HG2 ARG 11 2HG ARG 11 -21.215 6.514 4.612 80 HG3 ARG 11 1HG ARG 11 -19.517 7.006 4.648 81 HD2 ARG 11 2HD ARG 11 -20.053 8.859 3.115 82 HD3 ARG 11 1HD ARG 11 -21.745 8.389 3.164 83 HE ARG 11 HE ARG 11 -20.862 8.752 5.763 84 HH11 ARG 11 1HH1 ARG 11 -21.425 10.713 2.859 85 HH12 ARG 11 2HH1 ARG 11 -21.794 12.142 3.689 86 HH21 ARG 11 1HH2 ARG 11 -21.395 10.723 6.947 87 HH22 ARG 11 2HH2 ARG 11 -21.781 12.138 6.097 88 H GLY 12 H GLY 12 -20.755 2.733 2.024 89 HA2 GLY 12 2HA GLY 12 -19.072 2.192 -0.150 90 HA3 GLY 12 1HA GLY 12 -20.699 1.564 0.102 91 H GLN 13 H GLN 13 -21.876 4.285 0.193 92 HA GLN 13 HA GLN 13 -22.491 4.403 -2.629 93 HB2 GLN 13 2HB GLN 13 -23.244 6.610 -0.715 94 HB3 GLN 13 1HB GLN 13 -24.084 6.098 -2.159 95 HG2 GLN 13 2HG GLN 13 -24.070 4.869 0.557 96 HG3 GLN 13 1HG GLN 13 -25.437 5.428 -0.400 97 HE21 GLN 13 1HE2 GLN 13 -23.219 3.014 0.189 98 HE22 GLN 13 2HE2 GLN 13 -23.880 1.712 -0.737 99 H ASP 14 H ASP 14 -20.418 5.747 -0.555 100 HA ASP 14 HA ASP 14 -19.873 8.246 -1.937 101 HB2 ASP 14 2HB ASP 14 -20.064 7.633 0.538 102 HB3 ASP 14 1HB ASP 14 -18.445 7.056 0.420 103 H ALA 15 H ALA 15 -18.429 5.176 -1.040 104 HA ALA 15 HA ALA 15 -15.931 5.420 -2.258 105 HB1 ALA 15 1HB ALA 15 -17.584 2.939 -1.761 106 HB2 ALA 15 2HB ALA 15 -16.507 3.695 -0.603 107 HB3 ALA 15 3HB ALA 15 -15.846 2.968 -2.071 108 H LYS 16 H LYS 16 -19.064 4.454 -3.498 109 HA LYS 16 HA LYS 16 -18.233 3.443 -5.953 110 HB2 LYS 16 2HB LYS 16 -20.813 4.809 -5.257 111 HB3 LYS 16 1HB LYS 16 -20.513 4.019 -6.794 112 HG2 LYS 16 2HG LYS 16 -20.082 1.899 -5.475 113 HG3 LYS 16 1HG LYS 16 -20.698 2.791 -4.073 114 HD2 LYS 16 2HD LYS 16 -22.239 2.440 -6.649 115 HD3 LYS 16 1HD LYS 16 -22.428 1.393 -5.246 116 HE2 LYS 16 2HE LYS 16 -23.214 3.177 -3.919 117 HE3 LYS 16 1HE LYS 16 -22.813 4.378 -5.156 118 HZ1 LYS 16 3HZ LYS 16 -24.912 2.276 -5.294 119 HZ2 LYS 16 1HZ LYS 16 -24.502 3.336 -6.561 120 HZ3 LYS 16 2HZ LYS 16 -25.130 3.955 -5.133 121 H ALA 17 H ALA 17 -18.507 6.740 -4.893 122 HA ALA 17 HA ALA 17 -18.546 7.852 -7.517 123 HB1 ALA 17 1HB ALA 17 -19.362 9.120 -5.591 124 HB2 ALA 17 2HB ALA 17 -18.075 9.994 -6.421 125 HB3 ALA 17 3HB ALA 17 -17.738 9.148 -4.910 126 H ALA 18 H ALA 18 -16.039 6.739 -5.382 127 HA ALA 18 HA ALA 18 -13.881 7.941 -6.845 128 HB1 ALA 18 1HB ALA 18 -12.475 6.496 -5.399 129 HB2 ALA 18 2HB ALA 18 -13.956 5.737 -4.790 130 HB3 ALA 18 3HB ALA 18 -13.649 7.442 -4.479 131 H TYR 19 H TYR 19 -15.448 4.828 -6.614 132 HA TYR 19 HA TYR 19 -13.856 3.482 -8.541 133 HB2 TYR 19 2HB TYR 19 -14.949 1.884 -7.420 134 HB3 TYR 19 1HB TYR 19 -16.257 2.962 -6.968 135 HD1 TYR 19 2HD TYR 19 -14.942 0.641 -9.491 136 HD2 TYR 19 1HD TYR 19 -18.307 2.917 -8.282 137 HE1 TYR 19 2HE TYR 19 -16.333 -0.553 -11.149 138 HE2 TYR 19 1HE TYR 19 -19.715 1.743 -9.926 139 HH TYR 19 HH TYR 19 -19.293 0.555 -12.106 140 H ASP 20 H ASP 20 -16.618 5.485 -8.692 141 HA ASP 20 HA ASP 20 -17.611 5.144 -11.242 142 HB2 ASP 20 2HB ASP 20 -18.632 6.570 -9.558 143 HB3 ASP 20 1HB ASP 20 -17.303 7.703 -9.677 144 H ALA 21 H ALA 21 -14.643 6.638 -10.291 145 HA ALA 21 HA ALA 21 -14.058 8.075 -12.662 146 HB1 ALA 21 1HB ALA 21 -12.170 6.864 -10.664 147 HB2 ALA 21 2HB ALA 21 -12.901 8.469 -10.535 148 HB3 ALA 21 3HB ALA 21 -11.762 8.116 -11.839 149 H GLY 22 H GLY 22 -14.152 4.738 -12.038 150 HA2 GLY 22 2HA GLY 22 -14.121 3.445 -14.175 151 HA3 GLY 22 1HA GLY 22 -12.573 4.221 -14.476 152 H ALA 23 H ALA 23 -13.622 3.123 -11.355 153 HA ALA 23 HA ALA 23 -12.760 1.649 -9.838 154 HB1 ALA 23 1HB ALA 23 -13.913 0.085 -11.351 155 HB2 ALA 23 2HB ALA 23 -12.467 -0.649 -10.655 156 HB3 ALA 23 3HB ALA 23 -12.444 -0.059 -12.316 157 H ILE 24 H ILE 24 -10.933 3.559 -10.779 158 HA ILE 24 HA ILE 24 -8.550 2.479 -11.817 159 HB ILE 24 HB ILE 24 -8.807 5.015 -10.186 160 HG12 ILE 24 2HG1 ILE 24 -9.040 4.614 -13.183 161 HG13 ILE 24 1HG1 ILE 24 -10.368 5.003 -12.100 162 HG21 ILE 24 1HG2 ILE 24 -6.795 5.716 -11.438 163 HG22 ILE 24 2HG2 ILE 24 -6.729 4.123 -12.194 164 HG23 ILE 24 3HG2 ILE 24 -6.497 4.281 -10.455 165 HD11 ILE 24 3HD1 ILE 24 -9.314 7.153 -11.581 166 HD12 ILE 24 1HD1 ILE 24 -9.620 6.973 -13.311 167 HD13 ILE 24 2HD1 ILE 24 -7.989 6.755 -12.672 168 H TYR 25 H TYR 25 -8.946 3.803 -8.582 169 HA TYR 25 HA TYR 25 -8.017 1.698 -7.068 170 HB2 TYR 25 2HB TYR 25 -5.774 1.606 -7.178 171 HB3 TYR 25 1HB TYR 25 -5.922 2.508 -8.670 172 HD1 TYR 25 1HD TYR 25 -5.634 5.006 -8.564 173 HD2 TYR 25 2HD TYR 25 -4.779 2.376 -5.388 174 HE1 TYR 25 1HE TYR 25 -4.253 6.721 -7.559 175 HE2 TYR 25 2HE TYR 25 -3.445 3.995 -4.328 176 HH TYR 25 HH TYR 25 -3.374 7.315 -5.322 177 H GLY 26 H GLY 26 -7.462 2.238 -4.902 178 HA2 GLY 26 2HA GLY 26 -8.418 4.915 -4.144 179 HA3 GLY 26 1HA GLY 26 -8.877 3.455 -3.255 180 H GLY 27 H GLY 27 -7.424 5.711 -2.107 181 HA2 GLY 27 2HA GLY 27 -4.732 4.536 -1.836 182 HA3 GLY 27 1HA GLY 27 -5.008 6.270 -1.896 183 H LEU 28 H LEU 28 -5.698 3.367 -0.071 184 HA LEU 28 HA LEU 28 -5.907 5.041 2.243 185 HB2 LEU 28 2HB LEU 28 -7.466 3.327 3.263 186 HB3 LEU 28 1HB LEU 28 -8.138 4.333 2.016 187 HG LEU 28 HG LEU 28 -9.020 2.062 1.948 188 HD11 LEU 28 1HD1 LEU 28 -8.987 3.243 -0.122 189 HD12 LEU 28 2HD1 LEU 28 -8.713 1.524 -0.397 190 HD13 LEU 28 3HD1 LEU 28 -7.364 2.652 -0.475 191 HD21 LEU 28 3HD2 LEU 28 -7.680 0.128 1.319 192 HD22 LEU 28 1HD2 LEU 28 -7.095 0.839 2.823 193 HD23 LEU 28 2HD2 LEU 28 -6.224 1.118 1.307 194 H ILE 29 H ILE 29 -5.268 4.154 4.132 195 HA ILE 29 HA ILE 29 -3.299 2.041 3.760 196 HB ILE 29 HB ILE 29 -2.149 3.122 5.827 197 HG12 ILE 29 2HG1 ILE 29 -3.435 5.512 4.477 198 HG13 ILE 29 1HG1 ILE 29 -3.788 4.943 6.101 199 HG21 ILE 29 1HG2 ILE 29 -1.222 2.571 3.797 200 HG22 ILE 29 2HG2 ILE 29 -0.648 4.199 4.261 201 HG23 ILE 29 3HG2 ILE 29 -1.869 3.995 2.982 202 HD11 ILE 29 3HD1 ILE 29 -1.514 5.471 6.784 203 HD12 ILE 29 1HD1 ILE 29 -2.336 6.885 6.130 204 HD13 ILE 29 2HD1 ILE 29 -1.143 6.027 5.151 205 H PHE 30 H PHE 30 -2.588 0.913 5.570 206 HA PHE 30 HA PHE 30 -4.975 -0.257 6.735 207 HB2 PHE 30 2HB PHE 30 -2.130 -1.152 7.197 208 HB3 PHE 30 1HB PHE 30 -3.588 -2.058 7.539 209 HD1 PHE 30 1HD PHE 30 -4.866 -3.076 5.654 210 HD2 PHE 30 2HD PHE 30 -1.164 -1.062 5.081 211 HE1 PHE 30 1HE PHE 30 -4.608 -4.158 3.440 212 HE2 PHE 30 2HE PHE 30 -0.909 -2.126 2.911 213 HZ PHE 30 HZ PHE 30 -2.622 -3.671 2.079 214 H VAL 31 H VAL 31 -5.383 1.713 8.159 215 HA VAL 31 HA VAL 31 -3.846 1.240 10.599 216 HB VAL 31 HB VAL 31 -5.562 3.678 10.015 217 HG11 VAL 31 1HG1 VAL 31 -4.701 4.561 12.128 218 HG12 VAL 31 2HG1 VAL 31 -3.753 3.089 12.356 219 HG13 VAL 31 3HG1 VAL 31 -5.510 3.004 12.376 220 HG21 VAL 31 3HG2 VAL 31 -3.492 3.701 8.706 221 HG22 VAL 31 1HG2 VAL 31 -2.553 3.410 10.171 222 HG23 VAL 31 2HG2 VAL 31 -3.441 4.920 9.979 223 H ALA 32 H ALA 32 -4.758 0.169 12.086 224 HA ALA 32 HA ALA 32 -7.118 -1.194 11.600 225 HB1 ALA 32 1HB ALA 32 -6.869 -2.131 13.827 226 HB2 ALA 32 2HB ALA 32 -5.684 -0.889 14.232 227 HB3 ALA 32 3HB ALA 32 -5.322 -2.082 12.986 228 H THR 33 H THR 33 -8.952 -0.410 11.495 229 HA THR 33 HA THR 33 -10.950 0.417 11.939 230 HB THR 33 HB THR 33 -11.721 0.704 14.300 231 HG1 THR 33 1HG THR 33 -9.037 0.816 14.757 232 HG21 THR 33 3HG2 THR 33 -10.093 -1.770 13.757 233 HG22 THR 33 1HG2 THR 33 -11.773 -1.501 13.297 234 HG23 THR 33 2HG2 THR 33 -11.338 -1.639 15.001 235 H SER 34 H SER 34 -8.779 2.252 11.221 236 HA SER 34 HA SER 34 -9.464 4.698 12.541 237 HB2 SER 34 2HB SER 34 -7.163 4.278 11.806 238 HB3 SER 34 1HB SER 34 -7.726 4.105 10.145 239 HG SER 34 HG SER 34 -7.155 6.326 11.573 240 HA PRO 35 HA PRO 35 -12.500 5.499 9.394 241 HB2 PRO 35 2HB PRO 35 -13.399 7.855 10.248 242 HB3 PRO 35 1HB PRO 35 -13.718 6.376 11.167 243 HG2 PRO 35 2HG PRO 35 -11.766 8.557 11.703 244 HG3 PRO 35 1HG PRO 35 -12.663 7.553 12.849 245 HD2 PRO 35 2HD PRO 35 -9.990 7.188 12.044 246 HD3 PRO 35 1HD PRO 35 -10.997 6.025 12.928 247 H ARG 36 H ARG 36 -9.565 6.831 9.560 248 HA ARG 36 HA ARG 36 -10.083 8.449 7.143 249 HB2 ARG 36 2HB ARG 36 -7.984 9.680 7.573 250 HB3 ARG 36 1HB ARG 36 -9.140 9.882 8.878 251 HG2 ARG 36 2HG ARG 36 -7.885 8.565 10.351 252 HG3 ARG 36 1HG ARG 36 -6.979 7.813 9.040 253 HD2 ARG 36 2HD ARG 36 -6.795 10.735 9.725 254 HD3 ARG 36 1HD ARG 36 -5.697 9.518 10.380 255 HE ARG 36 HE ARG 36 -5.178 8.996 7.996 256 HH11 ARG 36 1HH1 ARG 36 -6.102 12.276 8.997 257 HH12 ARG 36 2HH1 ARG 36 -5.411 13.059 7.665 258 HH21 ARG 36 1HH2 ARG 36 -4.135 10.100 6.139 259 HH22 ARG 36 2HH2 ARG 36 -4.249 11.784 6.021 260 H CYS 37 H CYS 37 -8.978 5.536 8.154 261 HA CYS 37 HA CYS 37 -7.355 5.086 5.838 262 HB2 CYS 37 2HB CYS 37 -6.315 4.781 8.654 263 HB3 CYS 37 1HB CYS 37 -5.485 4.176 7.221 264 HG CYS 37 HG CYS 37 -4.220 6.476 8.302 265 H VAL 38 H VAL 38 -7.997 3.108 5.150 266 HA VAL 38 HA VAL 38 -9.564 1.542 7.048 267 HB VAL 38 HB VAL 38 -10.015 2.330 4.216 268 HG11 VAL 38 1HG1 VAL 38 -11.343 0.347 3.689 269 HG12 VAL 38 2HG1 VAL 38 -10.742 -0.439 5.156 270 HG13 VAL 38 3HG1 VAL 38 -9.630 -0.019 3.858 271 HG21 VAL 38 3HG2 VAL 38 -12.332 2.165 4.893 272 HG22 VAL 38 1HG2 VAL 38 -11.410 3.107 6.067 273 HG23 VAL 38 2HG2 VAL 38 -11.850 1.429 6.416 274 H ASN 39 H ASN 39 -9.210 -0.392 7.373 275 HA ASN 39 HA ASN 39 -6.878 -1.697 6.156 276 HB2 ASN 39 2HB ASN 39 -6.920 -3.116 8.207 277 HB3 ASN 39 1HB ASN 39 -6.522 -1.449 8.515 278 HD21 ASN 39 1HD2 ASN 39 -8.794 -3.938 9.054 279 HD22 ASN 39 2HD2 ASN 39 -9.781 -3.032 10.146 280 H VAL 40 H VAL 40 -7.035 -4.060 6.209 281 HA VAL 40 HA VAL 40 -8.670 -4.853 4.185 282 HB VAL 40 HB VAL 40 -7.404 -6.554 6.350 283 HG11 VAL 40 1HG1 VAL 40 -7.536 -8.415 4.832 284 HG12 VAL 40 2HG1 VAL 40 -8.377 -7.429 3.642 285 HG13 VAL 40 3HG1 VAL 40 -9.158 -7.812 5.182 286 HG21 VAL 40 3HG2 VAL 40 -5.685 -6.903 4.666 287 HG22 VAL 40 1HG2 VAL 40 -5.822 -5.222 5.174 288 HG23 VAL 40 2HG2 VAL 40 -6.488 -5.727 3.617 289 H GLU 41 H GLU 41 -9.365 -4.940 7.604 290 HA GLU 41 HA GLU 41 -11.609 -6.570 7.385 291 HB2 GLU 41 2HB GLU 41 -10.538 -4.761 9.467 292 HB3 GLU 41 1HB GLU 41 -12.087 -5.559 9.678 293 HG2 GLU 41 2HG GLU 41 -10.977 -7.730 9.349 294 HG3 GLU 41 1HG GLU 41 -9.440 -6.899 9.167 295 H GLN 42 H GLN 42 -11.449 -2.897 7.618 296 HA GLN 42 HA GLN 42 -14.243 -2.697 7.184 297 HB2 GLN 42 2HB GLN 42 -11.969 -0.802 6.722 298 HB3 GLN 42 1HB GLN 42 -13.673 -0.359 6.634 299 HG2 GLN 42 2HG GLN 42 -13.959 -0.613 8.916 300 HG3 GLN 42 1HG GLN 42 -12.503 -1.617 9.057 301 HE21 GLN 42 1HE2 GLN 42 -10.591 -0.696 9.131 302 HE22 GLN 42 2HE2 GLN 42 -10.398 0.993 9.271 303 H ALA 43 H ALA 43 -11.400 -2.640 5.111 304 HA ALA 43 HA ALA 43 -12.652 -1.882 2.713 305 HB1 ALA 43 1HB ALA 43 -10.162 -3.536 3.063 306 HB2 ALA 43 2HB ALA 43 -10.232 -1.777 3.027 307 HB3 ALA 43 3HB ALA 43 -10.651 -2.709 1.587 308 H GLN 44 H GLN 44 -12.636 -4.864 4.370 309 HA GLN 44 HA GLN 44 -13.079 -6.724 2.347 310 HB2 GLN 44 2HB GLN 44 -12.760 -6.965 4.901 311 HB3 GLN 44 1HB GLN 44 -14.529 -6.859 4.992 312 HG2 GLN 44 2HG GLN 44 -14.288 -9.100 4.879 313 HG3 GLN 44 1HG GLN 44 -14.193 -8.786 3.142 314 HE21 GLN 44 1HE2 GLN 44 -11.489 -7.488 3.499 315 HE22 GLN 44 2HE2 GLN 44 -10.420 -8.783 3.774 316 H GLU 45 H GLU 45 -15.163 -4.358 3.857 317 HA GLU 45 HA GLU 45 -17.573 -5.301 2.539 318 HB2 GLU 45 2HB GLU 45 -17.057 -2.748 4.042 319 HB3 GLU 45 1HB GLU 45 -18.617 -3.351 3.529 320 HG2 GLU 45 2HG GLU 45 -18.299 -5.322 5.003 321 HG3 GLU 45 1HG GLU 45 -16.826 -4.569 5.614 322 H VAL 46 H VAL 46 -15.451 -2.530 2.538 323 HA VAL 46 HA VAL 46 -16.750 -0.988 0.643 324 HB VAL 46 HB VAL 46 -13.763 -0.917 1.144 325 HG11 VAL 46 1HG1 VAL 46 -13.991 1.455 0.697 326 HG12 VAL 46 2HG1 VAL 46 -15.721 1.222 0.409 327 HG13 VAL 46 3HG1 VAL 46 -14.537 0.479 -0.678 328 HG21 VAL 46 3HG2 VAL 46 -15.957 0.377 2.772 329 HG22 VAL 46 1HG2 VAL 46 -14.227 0.656 2.976 330 HG23 VAL 46 2HG2 VAL 46 -14.902 -0.936 3.304 331 H MET 47 H MET 47 -14.314 -3.505 0.155 332 HA MET 47 HA MET 47 -13.813 -3.005 -2.592 333 HB2 MET 47 2HB MET 47 -12.782 -5.184 -2.710 334 HB3 MET 47 1HB MET 47 -12.363 -4.456 -1.170 335 HG2 MET 47 2HG MET 47 -14.023 -5.846 -0.049 336 HG3 MET 47 1HG MET 47 -14.476 -6.562 -1.593 337 HE1 MET 47 3HE MET 47 -14.087 -9.022 -0.666 338 HE2 MET 47 1HE MET 47 -13.695 -8.329 0.907 339 HE3 MET 47 2HE MET 47 -12.620 -9.521 0.173 340 H ALA 48 H ALA 48 -16.465 -4.504 -1.020 341 HA ALA 48 HA ALA 48 -17.418 -5.708 -3.488 342 HB1 ALA 48 1HB ALA 48 -19.260 -6.548 -2.105 343 HB2 ALA 48 2HB ALA 48 -18.649 -5.628 -0.731 344 HB3 ALA 48 3HB ALA 48 -17.697 -6.957 -1.391 345 H ALA 49 H ALA 49 -17.805 -2.930 -1.500 346 HA ALA 49 HA ALA 49 -20.316 -2.050 -2.493 347 HB1 ALA 49 1HB ALA 49 -18.101 -0.482 -1.176 348 HB2 ALA 49 2HB ALA 49 -19.416 -1.301 -0.337 349 HB3 ALA 49 3HB ALA 49 -19.762 0.064 -1.402 350 H ALA 50 H ALA 50 -16.917 -1.055 -3.193 351 HA ALA 50 HA ALA 50 -17.828 -0.233 -5.799 352 HB1 ALA 50 1HB ALA 50 -17.548 1.788 -4.470 353 HB2 ALA 50 2HB ALA 50 -16.222 1.640 -5.619 354 HB3 ALA 50 3HB ALA 50 -15.967 1.232 -3.926 355 HA PRO 51 HA PRO 51 -14.529 -3.262 -6.172 356 HB2 PRO 51 2HB PRO 51 -14.971 -3.930 -8.751 357 HB3 PRO 51 1HB PRO 51 -16.004 -4.478 -7.420 358 HG2 PRO 51 2HG PRO 51 -16.461 -2.239 -9.349 359 HG3 PRO 51 1HG PRO 51 -17.599 -3.469 -8.775 360 HD2 PRO 51 2HD PRO 51 -17.478 -0.935 -7.774 361 HD3 PRO 51 1HD PRO 51 -18.032 -2.333 -6.829 362 H LEU 52 H LEU 52 -13.578 -0.839 -6.048 363 HA LEU 52 HA LEU 52 -12.026 -0.299 -8.435 364 HB2 LEU 52 2HB LEU 52 -11.096 1.538 -6.882 365 HB3 LEU 52 1HB LEU 52 -12.657 1.838 -7.576 366 HG LEU 52 HG LEU 52 -13.397 0.700 -5.238 367 HD11 LEU 52 1HD1 LEU 52 -11.986 1.373 -3.411 368 HD12 LEU 52 2HD1 LEU 52 -10.748 1.900 -4.552 369 HD13 LEU 52 3HD1 LEU 52 -11.210 0.194 -4.466 370 HD21 LEU 52 3HD2 LEU 52 -14.178 2.879 -5.865 371 HD22 LEU 52 1HD2 LEU 52 -12.582 3.586 -5.539 372 HD23 LEU 52 2HD2 LEU 52 -13.559 2.924 -4.226 373 H GLN 53 H GLN 53 -9.583 0.154 -7.914 374 HA GLN 53 HA GLN 53 -8.654 -2.313 -6.843 375 HB2 GLN 53 2HB GLN 53 -8.002 -0.656 -8.931 376 HB3 GLN 53 1HB GLN 53 -6.703 -0.372 -7.782 377 HG2 GLN 53 2HG GLN 53 -7.644 -3.027 -8.660 378 HG3 GLN 53 1HG GLN 53 -6.289 -2.167 -9.416 379 HE21 GLN 53 1HE2 GLN 53 -5.217 -1.029 -7.092 380 HE22 GLN 53 2HE2 GLN 53 -4.577 -2.256 -6.086 381 H TYR 54 H TYR 54 -7.088 -2.521 -5.159 382 HA TYR 54 HA TYR 54 -6.927 -0.214 -3.361 383 HB2 TYR 54 2HB TYR 54 -7.255 -3.135 -2.693 384 HB3 TYR 54 1HB TYR 54 -6.798 -1.910 -1.514 385 HD1 TYR 54 1HD TYR 54 -9.495 -2.992 -3.802 386 HD2 TYR 54 2HD TYR 54 -8.379 -0.491 -0.567 387 HE1 TYR 54 1HE TYR 54 -11.853 -2.422 -3.441 388 HE2 TYR 54 2HE TYR 54 -10.735 0.092 -0.192 389 HH TYR 54 HH TYR 54 -13.303 -1.533 -1.802 390 H VAL 55 H VAL 55 -5.045 0.159 -2.287 391 HA VAL 55 HA VAL 55 -2.749 -1.493 -2.978 392 HB VAL 55 HB VAL 55 -2.872 0.686 -4.365 393 HG11 VAL 55 1HG1 VAL 55 -2.184 2.765 -3.252 394 HG12 VAL 55 2HG1 VAL 55 -2.386 1.965 -1.693 395 HG13 VAL 55 3HG1 VAL 55 -3.778 2.195 -2.748 396 HG21 VAL 55 3HG2 VAL 55 -0.468 1.250 -4.005 397 HG22 VAL 55 1HG2 VAL 55 -0.786 -0.478 -4.151 398 HG23 VAL 55 2HG2 VAL 55 -0.482 0.207 -2.574 399 H GLY 56 H GLY 56 -1.023 -1.081 -1.325 400 HA2 GLY 56 2HA GLY 56 -2.159 -0.067 1.207 401 HA3 GLY 56 1HA GLY 56 -1.475 -1.707 1.046 402 H VAL 57 H VAL 57 -0.862 1.219 2.171 403 HA VAL 57 HA VAL 57 2.022 0.860 1.756 404 HB VAL 57 HB VAL 57 0.634 3.246 3.043 405 HG11 VAL 57 1HG1 VAL 57 3.468 2.928 2.091 406 HG12 VAL 57 2HG1 VAL 57 2.917 2.979 3.762 407 HG13 VAL 57 3HG1 VAL 57 2.762 4.409 2.741 408 HG21 VAL 57 3HG2 VAL 57 -0.028 3.137 0.688 409 HG22 VAL 57 1HG2 VAL 57 1.665 3.076 0.203 410 HG23 VAL 57 2HG2 VAL 57 1.027 4.519 0.984 411 H PHE 58 H PHE 58 3.097 -0.018 3.402 412 HA PHE 58 HA PHE 58 1.872 -0.057 6.042 413 HB2 PHE 58 2HB PHE 58 0.821 -1.866 4.670 414 HB3 PHE 58 1HB PHE 58 2.412 -2.550 4.418 415 HD1 PHE 58 1HD PHE 58 0.227 -1.486 7.249 416 HD2 PHE 58 2HD PHE 58 2.968 -4.349 5.704 417 HE1 PHE 58 1HE PHE 58 -0.114 -2.883 9.240 418 HE2 PHE 58 2HE PHE 58 2.636 -5.748 7.690 419 HZ PHE 58 HZ PHE 58 1.095 -5.018 9.463 420 H ARG 59 H ARG 59 3.412 -0.670 7.621 421 HA ARG 59 HA ARG 59 6.142 -0.569 6.679 422 HB2 ARG 59 2HB ARG 59 4.875 -0.440 9.430 423 HB3 ARG 59 1HB ARG 59 6.591 -0.742 9.259 424 HG2 ARG 59 2HG ARG 59 6.066 1.632 9.738 425 HG3 ARG 59 1HG ARG 59 6.934 1.419 8.227 426 HD2 ARG 59 2HD ARG 59 4.824 1.688 6.983 427 HD3 ARG 59 1HD ARG 59 3.950 1.858 8.500 428 HE ARG 59 HE ARG 59 5.082 3.920 8.874 429 HH11 ARG 59 1HH1 ARG 59 5.431 2.747 5.490 430 HH12 ARG 59 2HH1 ARG 59 5.776 4.339 4.922 431 HH21 ARG 59 1HH2 ARG 59 5.510 6.026 7.918 432 HH22 ARG 59 2HH2 ARG 59 5.778 6.147 6.233 433 H ASN 60 H ASN 60 7.100 -2.416 6.083 434 HA ASN 60 HA ASN 60 5.690 -4.845 6.635 435 HB2 ASN 60 2HB ASN 60 7.804 -4.061 4.616 436 HB3 ASN 60 1HB ASN 60 7.315 -5.723 4.881 437 HD21 ASN 60 1HD2 ASN 60 5.005 -3.071 4.934 438 HD22 ASN 60 2HD2 ASN 60 4.253 -3.509 3.435 439 H HIS 61 H HIS 61 6.319 -5.774 8.177 440 HA HIS 61 HA HIS 61 9.198 -6.072 8.858 441 HB2 HIS 61 2HB HIS 61 6.920 -6.634 10.776 442 HB3 HIS 61 1HB HIS 61 8.619 -6.432 11.160 443 HD1 HIS 61 1HD HIS 61 9.473 -3.772 10.535 444 HD2 HIS 61 2HD HIS 61 5.459 -4.515 11.324 445 HE1 HIS 61 1HE HIS 61 8.419 -1.542 11.023 446 H ASP 62 H ASP 62 6.097 -7.731 9.236 447 HA ASP 62 HA ASP 62 7.379 -10.335 8.866 448 HB2 ASP 62 2HB ASP 62 5.706 -9.917 10.749 449 HB3 ASP 62 1HB ASP 62 4.492 -9.767 9.480 450 H ILE 63 H ILE 63 7.472 -10.996 6.942 451 HA ILE 63 HA ILE 63 6.116 -9.840 4.754 452 HB ILE 63 HB ILE 63 8.311 -10.887 4.491 453 HG12 ILE 63 2HG1 ILE 63 6.381 -12.516 2.877 454 HG13 ILE 63 1HG1 ILE 63 6.574 -10.793 2.595 455 HG21 ILE 63 1HG2 ILE 63 8.016 -12.703 6.086 456 HG22 ILE 63 2HG2 ILE 63 8.563 -13.337 4.526 457 HG23 ILE 63 3HG2 ILE 63 6.861 -13.470 5.007 458 HD11 ILE 63 3HD1 ILE 63 8.931 -11.144 2.060 459 HD12 ILE 63 1HD1 ILE 63 7.918 -12.171 1.059 460 HD13 ILE 63 2HD1 ILE 63 8.774 -12.858 2.438 461 H ALA 64 H ALA 64 5.252 -12.493 6.815 462 HA ALA 64 HA ALA 64 3.431 -13.663 4.923 463 HB1 ALA 64 1HB ALA 64 4.498 -15.052 6.628 464 HB2 ALA 64 2HB ALA 64 2.740 -15.094 6.786 465 HB3 ALA 64 3HB ALA 64 3.700 -14.120 7.895 466 H ASP 65 H ASP 65 3.402 -11.050 7.031 467 HA ASP 65 HA ASP 65 0.512 -11.108 7.381 468 HB2 ASP 65 2HB ASP 65 2.041 -10.199 9.152 469 HB3 ASP 65 1HB ASP 65 2.399 -8.857 8.072 470 H VAL 66 H VAL 66 2.958 -9.589 5.501 471 HA VAL 66 HA VAL 66 1.303 -7.739 4.140 472 HB VAL 66 HB VAL 66 3.853 -9.039 3.140 473 HG11 VAL 66 1HG1 VAL 66 2.618 -7.845 1.412 474 HG12 VAL 66 2HG1 VAL 66 4.111 -6.990 1.814 475 HG13 VAL 66 3HG1 VAL 66 2.567 -6.404 2.428 476 HG21 VAL 66 3HG2 VAL 66 4.237 -8.078 5.337 477 HG22 VAL 66 1HG2 VAL 66 3.524 -6.553 4.815 478 HG23 VAL 66 2HG2 VAL 66 5.034 -7.107 4.098 479 H VAL 67 H VAL 67 2.462 -11.020 3.485 480 HA VAL 67 HA VAL 67 1.174 -11.508 1.037 481 HB VAL 67 HB VAL 67 1.635 -13.512 3.286 482 HG11 VAL 67 1HG1 VAL 67 1.145 -13.994 0.343 483 HG12 VAL 67 2HG1 VAL 67 0.021 -14.356 1.652 484 HG13 VAL 67 3HG1 VAL 67 1.549 -15.231 1.534 485 HG21 VAL 67 3HG2 VAL 67 3.650 -14.124 2.100 486 HG22 VAL 67 1HG2 VAL 67 3.687 -12.420 2.543 487 HG23 VAL 67 2HG2 VAL 67 3.323 -12.897 0.879 488 H ASP 68 H ASP 68 0.083 -11.913 4.343 489 HA ASP 68 HA ASP 68 -2.443 -12.943 4.010 490 HB2 ASP 68 2HB ASP 68 -1.546 -12.733 6.205 491 HB3 ASP 68 1HB ASP 68 -1.333 -10.998 6.021 492 H LYS 69 H LYS 69 -1.649 -9.511 4.342 493 HA LYS 69 HA LYS 69 -4.269 -8.619 3.821 494 HB2 LYS 69 2HB LYS 69 -1.705 -7.062 3.363 495 HB3 LYS 69 1HB LYS 69 -3.305 -6.375 3.585 496 HG2 LYS 69 2HG LYS 69 -1.686 -7.850 5.677 497 HG3 LYS 69 1HG LYS 69 -1.970 -6.109 5.583 498 HD2 LYS 69 2HD LYS 69 -4.297 -6.399 5.956 499 HD3 LYS 69 1HD LYS 69 -4.143 -8.163 5.883 500 HE2 LYS 69 2HE LYS 69 -2.945 -6.328 7.928 501 HE3 LYS 69 1HE LYS 69 -4.396 -7.322 8.118 502 HZ1 LYS 69 3HZ LYS 69 -1.582 -8.284 7.810 503 HZ2 LYS 69 1HZ LYS 69 -2.956 -9.278 7.623 504 HZ3 LYS 69 2HZ LYS 69 -2.624 -8.527 9.093 505 H ALA 70 H ALA 70 -1.462 -8.942 1.681 506 HA ALA 70 HA ALA 70 -2.598 -7.801 -0.634 507 HB1 ALA 70 1HB ALA 70 -0.761 -8.845 -1.827 508 HB2 ALA 70 2HB ALA 70 -0.428 -9.887 -0.446 509 HB3 ALA 70 3HB ALA 70 -0.182 -8.146 -0.313 510 H LYS 71 H LYS 71 -2.818 -10.957 0.760 511 HA LYS 71 HA LYS 71 -4.027 -12.195 -1.544 512 HB2 LYS 71 2HB LYS 71 -2.672 -13.522 -0.052 513 HB3 LYS 71 1HB LYS 71 -3.685 -13.066 1.307 514 HG2 LYS 71 2HG LYS 71 -5.579 -14.177 0.150 515 HG3 LYS 71 1HG LYS 71 -4.433 -14.798 -1.027 516 HD2 LYS 71 2HD LYS 71 -4.807 -16.506 0.697 517 HD3 LYS 71 1HD LYS 71 -3.159 -15.895 0.821 518 HE2 LYS 71 2HE LYS 71 -3.806 -14.463 2.692 519 HE3 LYS 71 1HE LYS 71 -5.486 -14.972 2.521 520 HZ1 LYS 71 3HZ LYS 71 -3.201 -16.720 3.279 521 HZ2 LYS 71 1HZ LYS 71 -4.816 -17.206 3.128 522 HZ3 LYS 71 2HZ LYS 71 -4.395 -16.113 4.309 523 H VAL 72 H VAL 72 -5.098 -11.465 1.770 524 HA VAL 72 HA VAL 72 -7.730 -12.322 1.523 525 HB VAL 72 HB VAL 72 -6.705 -10.140 3.355 526 HG11 VAL 72 1HG1 VAL 72 -9.147 -11.882 3.618 527 HG12 VAL 72 2HG1 VAL 72 -9.109 -10.150 3.247 528 HG13 VAL 72 3HG1 VAL 72 -8.535 -10.728 4.812 529 HG21 VAL 72 3HG2 VAL 72 -6.543 -11.969 5.030 530 HG22 VAL 72 1HG2 VAL 72 -5.405 -12.061 3.689 531 HG23 VAL 72 2HG2 VAL 72 -6.820 -13.127 3.718 532 H LEU 73 H LEU 73 -6.578 -8.938 1.388 533 HA LEU 73 HA LEU 73 -9.157 -8.111 0.441 534 HB2 LEU 73 2HB LEU 73 -7.304 -6.869 1.911 535 HB3 LEU 73 1HB LEU 73 -6.735 -6.364 0.344 536 HG LEU 73 HG LEU 73 -8.167 -4.673 1.474 537 HD11 LEU 73 1HD1 LEU 73 -9.618 -4.137 -0.395 538 HD12 LEU 73 2HD1 LEU 73 -9.362 -5.748 -1.067 539 HD13 LEU 73 3HD1 LEU 73 -8.014 -4.619 -0.946 540 HD21 LEU 73 3HD2 LEU 73 -10.568 -5.051 1.629 541 HD22 LEU 73 1HD2 LEU 73 -9.659 -6.157 2.649 542 HD23 LEU 73 2HD2 LEU 73 -10.356 -6.715 1.120 543 H SER 74 H SER 74 -6.235 -9.240 -0.888 544 HA SER 74 HA SER 74 -5.337 -9.439 -2.916 545 HB2 SER 74 2HB SER 74 -8.154 -9.006 -3.978 546 HB3 SER 74 1HB SER 74 -6.810 -9.788 -4.821 547 HG SER 74 HG SER 74 -7.163 -10.952 -2.435 548 H LEU 75 H LEU 75 -4.081 -7.682 -2.726 549 HA LEU 75 HA LEU 75 -4.956 -5.073 -3.638 550 HB2 LEU 75 2HB LEU 75 -2.304 -6.022 -2.592 551 HB3 LEU 75 1HB LEU 75 -2.818 -4.355 -2.775 552 HG LEU 75 HG LEU 75 -4.100 -6.335 -0.904 553 HD11 LEU 75 1HD1 LEU 75 -3.004 -5.142 0.863 554 HD12 LEU 75 2HD1 LEU 75 -2.157 -4.120 -0.314 555 HD13 LEU 75 3HD1 LEU 75 -1.850 -5.866 -0.251 556 HD21 LEU 75 3HD2 LEU 75 -5.176 -4.339 0.048 557 HD22 LEU 75 1HD2 LEU 75 -5.615 -4.626 -1.638 558 HD23 LEU 75 2HD2 LEU 75 -4.454 -3.360 -1.243 559 H ALA 76 H ALA 76 -2.712 -4.054 -4.683 560 HA ALA 76 HA ALA 76 -2.136 -5.664 -7.079 561 HB1 ALA 76 1HB ALA 76 -2.588 -2.690 -7.007 562 HB2 ALA 76 2HB ALA 76 -3.705 -3.872 -7.669 563 HB3 ALA 76 3HB ALA 76 -2.124 -3.631 -8.424 564 H ALA 77 H ALA 77 -1.244 -3.005 -4.966 565 HA ALA 77 HA ALA 77 1.473 -3.955 -5.159 566 HB1 ALA 77 1HB ALA 77 1.276 -2.115 -6.742 567 HB2 ALA 77 2HB ALA 77 2.330 -1.722 -5.396 568 HB3 ALA 77 3HB ALA 77 0.694 -1.071 -5.450 569 H VAL 78 H VAL 78 2.755 -3.064 -3.423 570 HA VAL 78 HA VAL 78 1.282 -1.942 -1.195 571 HB VAL 78 HB VAL 78 1.203 -4.310 -0.726 572 HG11 VAL 78 1HG1 VAL 78 3.412 -5.587 -0.420 573 HG12 VAL 78 2HG1 VAL 78 4.181 -4.184 -1.223 574 HG13 VAL 78 3HG1 VAL 78 2.999 -5.147 -2.079 575 HG21 VAL 78 3HG2 VAL 78 3.318 -2.989 0.978 576 HG22 VAL 78 1HG2 VAL 78 2.403 -4.425 1.443 577 HG23 VAL 78 2HG2 VAL 78 1.575 -2.883 1.216 578 H GLN 79 H GLN 79 2.510 -0.501 -0.036 579 HA GLN 79 HA GLN 79 5.137 -0.021 -1.052 580 HB2 GLN 79 2HB GLN 79 3.019 1.585 0.240 581 HB3 GLN 79 1HB GLN 79 4.686 2.106 0.284 582 HG2 GLN 79 2HG GLN 79 3.587 3.196 -1.514 583 HG3 GLN 79 1HG GLN 79 4.689 2.009 -2.194 584 HE21 GLN 79 1HE2 GLN 79 3.762 0.037 -3.090 585 HE22 GLN 79 2HE2 GLN 79 2.124 0.072 -3.631 586 H LEU 80 H LEU 80 6.619 -0.685 0.069 587 HA LEU 80 HA LEU 80 6.166 -1.183 2.902 588 HB2 LEU 80 2HB LEU 80 8.341 -2.485 2.741 589 HB3 LEU 80 1HB LEU 80 6.906 -3.154 2.004 590 HG LEU 80 HG LEU 80 7.757 -2.398 -0.214 591 HD11 LEU 80 1HD1 LEU 80 10.095 -1.789 -0.474 592 HD12 LEU 80 2HD1 LEU 80 10.287 -1.740 1.280 593 HD13 LEU 80 3HD1 LEU 80 9.222 -0.586 0.474 594 HD21 LEU 80 3HD2 LEU 80 9.537 -4.220 1.374 595 HD22 LEU 80 1HD2 LEU 80 9.461 -4.140 -0.386 596 HD23 LEU 80 2HD2 LEU 80 8.049 -4.653 0.531 597 H HIS 81 H HIS 81 7.691 -0.750 4.446 598 HA HIS 81 HA HIS 81 9.395 1.565 3.937 599 HB2 HIS 81 2HB HIS 81 7.845 1.651 5.930 600 HB3 HIS 81 1HB HIS 81 8.622 0.207 6.561 601 HD1 HIS 81 1HD HIS 81 9.428 3.877 5.850 602 HD2 HIS 81 2HD HIS 81 10.812 0.667 8.101 603 HE1 HIS 81 1HE HIS 81 11.146 4.815 7.419 604 H GLY 82 H GLY 82 11.082 0.716 2.938 605 HA2 GLY 82 2HA GLY 82 11.884 -1.979 3.229 606 HA3 GLY 82 1HA GLY 82 12.662 -0.750 2.247 607 H ASN 83 H ASN 83 12.774 0.710 5.011 608 HA ASN 83 HA ASN 83 15.479 0.513 5.501 609 HB2 ASN 83 2HB ASN 83 13.984 2.285 6.392 610 HB3 ASN 83 1HB ASN 83 13.355 1.138 7.562 611 HD21 ASN 83 1HD2 ASN 83 14.619 0.599 9.339 612 HD22 ASN 83 2HD2 ASN 83 16.047 1.448 9.771 613 H GLU 84 H GLU 84 13.000 -1.594 6.563 614 HA GLU 84 HA GLU 84 14.016 -2.894 8.759 615 HB2 GLU 84 2HB GLU 84 11.756 -3.132 7.548 616 HB3 GLU 84 1HB GLU 84 12.573 -4.322 6.547 617 HG2 GLU 84 2HG GLU 84 11.348 -5.384 8.357 618 HG3 GLU 84 1HG GLU 84 13.083 -5.651 8.526 619 H GLU 85 H GLU 85 14.653 -3.588 5.329 620 HA GLU 85 HA GLU 85 17.280 -4.461 5.638 621 HB2 GLU 85 2HB GLU 85 16.268 -6.434 6.745 622 HB3 GLU 85 1HB GLU 85 15.221 -6.683 5.367 623 HG2 GLU 85 2HG GLU 85 17.215 -7.167 3.985 624 HG3 GLU 85 1HG GLU 85 18.221 -6.957 5.416 625 H GLN 86 H GLN 86 18.186 -4.382 3.546 626 HA GLN 86 HA GLN 86 16.554 -3.274 1.540 627 HB2 GLN 86 2HB GLN 86 19.426 -4.090 1.767 628 HB3 GLN 86 1HB GLN 86 18.754 -3.709 0.205 629 HG2 GLN 86 2HG GLN 86 19.907 -1.794 1.113 630 HG3 GLN 86 1HG GLN 86 18.188 -1.451 1.014 631 HE21 GLN 86 1HE2 GLN 86 19.873 -3.296 3.543 632 HE22 GLN 86 2HE2 GLN 86 19.495 -2.196 4.811 633 H LEU 87 H LEU 87 17.864 -6.325 2.213 634 HA LEU 87 HA LEU 87 17.325 -7.545 -0.313 635 HB2 LEU 87 2HB LEU 87 17.980 -8.760 2.337 636 HB3 LEU 87 1HB LEU 87 18.018 -9.558 0.767 637 HG LEU 87 HG LEU 87 19.668 -7.136 1.311 638 HD11 LEU 87 1HD1 LEU 87 20.261 -8.726 3.016 639 HD12 LEU 87 2HD1 LEU 87 21.559 -8.652 1.824 640 HD13 LEU 87 3HD1 LEU 87 20.430 -10.018 1.826 641 HD21 LEU 87 3HD2 LEU 87 19.925 -9.408 -0.658 642 HD22 LEU 87 1HD2 LEU 87 21.069 -8.074 -0.486 643 HD23 LEU 87 2HD2 LEU 87 19.417 -7.750 -1.000 644 H TYR 88 H TYR 88 15.581 -6.861 2.496 645 HA TYR 88 HA TYR 88 13.804 -9.052 2.523 646 HB2 TYR 88 2HB TYR 88 14.050 -7.905 4.520 647 HB3 TYR 88 1HB TYR 88 13.780 -6.324 3.782 648 HD1 TYR 88 2HD TYR 88 12.047 -9.573 4.316 649 HD2 TYR 88 1HD TYR 88 11.787 -5.353 4.209 650 HE1 TYR 88 2HE TYR 88 9.728 -9.732 5.061 651 HE2 TYR 88 1HE TYR 88 9.431 -5.481 4.970 652 HH TYR 88 HH TYR 88 8.147 -8.295 6.265 653 H ILE 89 H ILE 89 13.889 -6.036 0.875 654 HA ILE 89 HA ILE 89 11.211 -6.026 -0.065 655 HB ILE 89 HB ILE 89 13.755 -4.839 -1.204 656 HG12 ILE 89 2HG1 ILE 89 12.663 -2.634 -0.579 657 HG13 ILE 89 1HG1 ILE 89 11.447 -3.573 0.268 658 HG21 ILE 89 1HG2 ILE 89 12.336 -3.483 -2.731 659 HG22 ILE 89 2HG2 ILE 89 10.924 -4.365 -2.133 660 HG23 ILE 89 3HG2 ILE 89 12.177 -5.224 -3.035 661 HD11 ILE 89 3HD1 ILE 89 13.155 -4.467 1.726 662 HD12 ILE 89 1HD1 ILE 89 13.143 -2.703 1.751 663 HD13 ILE 89 2HD1 ILE 89 14.376 -3.561 0.829 664 H ASP 90 H ASP 90 14.204 -7.351 -1.215 665 HA ASP 90 HA ASP 90 13.252 -8.446 -3.671 666 HB2 ASP 90 2HB ASP 90 15.621 -7.934 -2.957 667 HB3 ASP 90 1HB ASP 90 15.562 -9.372 -1.978 668 H THR 91 H THR 91 12.787 -9.240 -0.508 669 HA THR 91 HA THR 91 12.438 -12.121 -0.768 670 HB THR 91 HB THR 91 12.032 -10.234 1.551 671 HG1 THR 91 1HG THR 91 14.264 -10.626 0.747 672 HG21 THR 91 3HG2 THR 91 12.028 -13.248 1.491 673 HG22 THR 91 1HG2 THR 91 10.683 -12.122 1.697 674 HG23 THR 91 2HG2 THR 91 11.940 -12.224 2.952 675 H LEU 92 H LEU 92 10.448 -9.233 -0.027 676 HA LEU 92 HA LEU 92 7.971 -10.281 0.126 677 HB2 LEU 92 2HB LEU 92 8.890 -7.724 -1.115 678 HB3 LEU 92 1HB LEU 92 7.196 -8.154 -1.242 679 HG LEU 92 HG LEU 92 7.443 -6.611 0.581 680 HD11 LEU 92 1HD1 LEU 92 7.310 -9.316 1.697 681 HD12 LEU 92 2HD1 LEU 92 5.924 -8.498 0.932 682 HD13 LEU 92 3HD1 LEU 92 6.634 -7.874 2.448 683 HD21 LEU 92 3HD2 LEU 92 9.801 -6.888 1.040 684 HD22 LEU 92 1HD2 LEU 92 9.458 -8.508 1.650 685 HD23 LEU 92 2HD2 LEU 92 8.836 -7.106 2.514 686 H ARG 93 H ARG 93 9.562 -9.371 -2.834 687 HA ARG 93 HA ARG 93 8.026 -10.154 -4.907 688 HB2 ARG 93 2HB ARG 93 10.942 -10.465 -4.463 689 HB3 ARG 93 1HB ARG 93 10.247 -11.239 -5.871 690 HG2 ARG 93 2HG ARG 93 11.200 -9.051 -6.366 691 HG3 ARG 93 1HG ARG 93 9.474 -9.119 -6.696 692 HD2 ARG 93 2HD ARG 93 9.042 -8.007 -4.563 693 HD3 ARG 93 1HD ARG 93 10.758 -7.915 -4.250 694 HE ARG 93 HE ARG 93 10.966 -6.238 -5.727 695 HH11 ARG 93 1HH1 ARG 93 7.751 -7.733 -6.363 696 HH12 ARG 93 2HH1 ARG 93 7.223 -6.403 -7.302 697 HH21 ARG 93 1HH2 ARG 93 10.120 -4.532 -7.095 698 HH22 ARG 93 2HH2 ARG 93 8.475 -4.623 -7.654 699 H GLU 94 H GLU 94 9.511 -12.451 -2.664 700 HA GLU 94 HA GLU 94 9.125 -14.746 -4.380 701 HB2 GLU 94 2HB GLU 94 9.835 -14.651 -1.472 702 HB3 GLU 94 1HB GLU 94 10.082 -15.989 -2.583 703 HG2 GLU 94 2HG GLU 94 11.722 -14.681 -3.789 704 HG3 GLU 94 1HG GLU 94 11.404 -13.314 -2.709 705 H ALA 95 H ALA 95 7.654 -13.332 -1.531 706 HA ALA 95 HA ALA 95 5.837 -15.610 -1.362 707 HB1 ALA 95 1HB ALA 95 5.193 -14.857 0.824 708 HB2 ALA 95 2HB ALA 95 6.047 -13.335 0.590 709 HB3 ALA 95 3HB ALA 95 6.952 -14.845 0.715 710 H LEU 96 H LEU 96 5.865 -12.551 -2.456 711 HA LEU 96 HA LEU 96 2.930 -12.387 -2.610 712 HB2 LEU 96 2HB LEU 96 5.099 -10.339 -3.090 713 HB3 LEU 96 1HB LEU 96 3.468 -10.093 -3.670 714 HG LEU 96 HG LEU 96 2.633 -10.084 -1.344 715 HD11 LEU 96 1HD1 LEU 96 5.518 -10.282 -0.514 716 HD12 LEU 96 2HD1 LEU 96 4.311 -11.546 -0.331 717 HD13 LEU 96 3HD1 LEU 96 4.133 -10.026 0.551 718 HD21 LEU 96 3HD2 LEU 96 3.617 -7.964 -0.664 719 HD22 LEU 96 1HD2 LEU 96 3.272 -7.996 -2.392 720 HD23 LEU 96 2HD2 LEU 96 4.926 -8.202 -1.821 721 HA PRO 97 HA PRO 97 3.236 -14.078 -6.669 722 HB2 PRO 97 2HB PRO 97 0.744 -13.402 -7.517 723 HB3 PRO 97 1HB PRO 97 1.027 -14.774 -6.445 724 HG2 PRO 97 2HG PRO 97 0.160 -11.995 -5.794 725 HG3 PRO 97 1HG PRO 97 -0.474 -13.530 -5.159 726 HD2 PRO 97 2HD PRO 97 1.228 -12.024 -3.742 727 HD3 PRO 97 1HD PRO 97 1.321 -13.800 -3.701 728 H ALA 98 H ALA 98 2.975 -13.268 -8.886 729 HA ALA 98 HA ALA 98 4.136 -10.667 -9.130 730 HB1 ALA 98 1HB ALA 98 4.749 -12.501 -10.632 731 HB2 ALA 98 2HB ALA 98 4.157 -11.104 -11.533 732 HB3 ALA 98 3HB ALA 98 3.113 -12.504 -11.291 733 H HIS 99 H HIS 99 1.071 -11.596 -8.694 734 HA HIS 99 HA HIS 99 -0.326 -9.667 -10.316 735 HB2 HIS 99 2HB HIS 99 -1.251 -11.333 -7.959 736 HB3 HIS 99 1HB HIS 99 -2.323 -10.404 -9.020 737 HD1 HIS 99 1HD HIS 99 -1.877 -13.751 -8.476 738 HD2 HIS 99 2HD HIS 99 -1.163 -11.341 -11.746 739 HE1 HIS 99 1HE HIS 99 -1.847 -15.306 -10.437 740 H VAL 100 H VAL 100 1.279 -9.772 -7.188 741 HA VAL 100 HA VAL 100 0.166 -7.232 -6.484 742 HB VAL 100 HB VAL 100 1.591 -9.393 -4.896 743 HG11 VAL 100 1HG1 VAL 100 0.419 -6.790 -4.016 744 HG12 VAL 100 2HG1 VAL 100 2.133 -7.204 -4.190 745 HG13 VAL 100 3HG1 VAL 100 1.145 -8.032 -2.959 746 HG21 VAL 100 3HG2 VAL 100 -0.722 -9.961 -5.475 747 HG22 VAL 100 1HG2 VAL 100 -1.272 -8.448 -4.762 748 HG23 VAL 100 2HG2 VAL 100 -0.533 -9.689 -3.746 749 H ALA 101 H ALA 101 1.628 -5.599 -6.209 750 HA ALA 101 HA ALA 101 4.393 -6.103 -7.095 751 HB1 ALA 101 1HB ALA 101 2.726 -3.613 -7.409 752 HB2 ALA 101 2HB ALA 101 3.025 -4.806 -8.667 753 HB3 ALA 101 3HB ALA 101 4.365 -3.859 -8.015 754 H ILE 102 H ILE 102 5.875 -4.309 -6.309 755 HA ILE 102 HA ILE 102 5.176 -3.519 -3.577 756 HB ILE 102 HB ILE 102 7.852 -4.479 -4.615 757 HG12 ILE 102 2HG1 ILE 102 7.850 -5.780 -2.338 758 HG13 ILE 102 1HG1 ILE 102 6.127 -5.451 -2.315 759 HG21 ILE 102 1HG2 ILE 102 8.777 -3.729 -2.360 760 HG22 ILE 102 2HG2 ILE 102 7.273 -2.720 -2.321 761 HG23 ILE 102 3HG2 ILE 102 8.399 -2.556 -3.636 762 HD11 ILE 102 3HD1 ILE 102 7.159 -7.710 -3.251 763 HD12 ILE 102 1HD1 ILE 102 7.319 -6.772 -4.698 764 HD13 ILE 102 2HD1 ILE 102 5.706 -7.018 -4.002 765 H TRP 103 H TRP 103 5.426 -1.333 -3.229 766 HA TRP 103 HA TRP 103 7.109 0.045 -5.213 767 HB2 TRP 103 2HB TRP 103 4.619 1.258 -3.966 768 HB3 TRP 103 1HB TRP 103 5.719 2.050 -5.078 769 HD1 TRP 103 HD TRP 103 5.614 -0.855 -6.895 770 HE1 TRP 103 1HE TRP 103 3.604 -1.050 -8.507 771 HE3 TRP 103 3HE TRP 103 2.699 2.626 -4.825 772 HZ2 TRP 103 2HZ TRP 103 1.115 0.161 -8.831 773 HZ3 TRP 103 3HZ TRP 103 0.455 3.126 -5.824 774 HH2 TRP 103 HH TRP 103 -0.316 1.902 -7.788 775 H LYS 104 H LYS 104 7.975 2.087 -4.346 776 HA LYS 104 HA LYS 104 8.838 1.512 -1.625 777 HB2 LYS 104 2HB LYS 104 10.588 1.817 -3.387 778 HB3 LYS 104 1HB LYS 104 10.018 3.469 -3.598 779 HG2 LYS 104 2HG LYS 104 10.452 3.760 -1.096 780 HG3 LYS 104 1HG LYS 104 11.355 2.252 -1.206 781 HD2 LYS 104 2HD LYS 104 12.761 3.279 -2.968 782 HD3 LYS 104 1HD LYS 104 11.898 4.799 -2.721 783 HE2 LYS 104 2HE LYS 104 13.594 3.333 -0.692 784 HE3 LYS 104 1HE LYS 104 13.982 4.837 -1.510 785 HZ1 LYS 104 3HZ LYS 104 13.228 5.112 0.770 786 HZ2 LYS 104 1HZ LYS 104 11.721 4.498 0.416 787 HZ3 LYS 104 2HZ LYS 104 12.266 5.966 -0.262 788 H ALA 105 H ALA 105 7.881 2.574 -0.161 789 HA ALA 105 HA ALA 105 6.488 5.029 -0.568 790 HB1 ALA 105 1HB ALA 105 5.772 3.527 1.211 791 HB2 ALA 105 2HB ALA 105 6.355 5.020 1.949 792 HB3 ALA 105 3HB ALA 105 7.370 3.584 1.940 793 H LEU 106 H LEU 106 7.736 6.642 -1.239 794 HA LEU 106 HA LEU 106 10.468 6.957 -0.381 795 HB2 LEU 106 2HB LEU 106 9.679 7.181 -2.743 796 HB3 LEU 106 1HB LEU 106 8.767 8.587 -2.255 797 HG LEU 106 HG LEU 106 11.045 9.542 -1.504 798 HD11 LEU 106 1HD1 LEU 106 11.937 7.382 -3.371 799 HD12 LEU 106 2HD1 LEU 106 12.316 7.490 -1.644 800 HD13 LEU 106 3HD1 LEU 106 12.954 8.693 -2.777 801 HD21 LEU 106 3HD2 LEU 106 9.757 10.402 -3.395 802 HD22 LEU 106 1HD2 LEU 106 10.431 9.146 -4.432 803 HD23 LEU 106 2HD2 LEU 106 11.483 10.393 -3.760 804 H SER 107 H SER 107 10.544 7.856 1.646 805 HA SER 107 HA SER 107 8.892 10.148 2.199 806 HB2 SER 107 2HB SER 107 9.554 8.539 4.031 807 HB3 SER 107 1HB SER 107 11.232 9.023 3.781 808 HG SER 107 HG SER 107 9.138 10.367 5.003 809 H VAL 108 H VAL 108 9.781 12.238 2.413 810 HA VAL 108 HA VAL 108 11.514 12.921 0.344 811 HB VAL 108 HB VAL 108 11.521 15.244 1.370 812 HG11 VAL 108 1HG1 VAL 108 9.854 14.556 -0.269 813 HG12 VAL 108 2HG1 VAL 108 9.122 15.607 0.943 814 HG13 VAL 108 3HG1 VAL 108 8.858 13.865 1.010 815 HG21 VAL 108 3HG2 VAL 108 9.676 13.938 3.388 816 HG22 VAL 108 1HG2 VAL 108 9.994 15.666 3.248 817 HG23 VAL 108 2HG2 VAL 108 11.284 14.568 3.737 818 H GLY 109 H GLY 109 13.596 12.923 0.114 819 HA2 GLY 109 2HA GLY 109 15.308 12.859 2.496 820 HA3 GLY 109 1HA GLY 109 15.589 11.810 1.106 821 H GLU 110 H GLU 110 16.876 14.275 2.494 822 HA GLU 110 HA GLU 110 16.975 16.259 0.399 823 HB2 GLU 110 2HB GLU 110 18.577 16.059 2.947 824 HB3 GLU 110 1HB GLU 110 18.388 17.481 1.929 825 HG2 GLU 110 2HG GLU 110 16.164 16.117 3.423 826 HG3 GLU 110 1HG GLU 110 17.006 17.566 3.959 827 H THR 111 H THR 111 18.777 13.527 1.414 828 HA THR 111 HA THR 111 21.116 14.241 -0.147 829 HB THR 111 HB THR 111 20.472 11.713 1.403 830 HG1 THR 111 1HG THR 111 21.365 14.247 2.156 831 HG21 THR 111 3HG2 THR 111 22.911 11.408 1.444 832 HG22 THR 111 1HG2 THR 111 23.121 12.903 0.530 833 HG23 THR 111 2HG2 THR 111 22.339 11.514 -0.223 834 H LEU 112 H LEU 112 21.554 13.276 -2.112 835 HA LEU 112 HA LEU 112 19.338 12.162 -3.534 836 HB2 LEU 112 2HB LEU 112 20.909 13.703 -4.596 837 HB3 LEU 112 1HB LEU 112 22.214 12.560 -4.346 838 HG LEU 112 HG LEU 112 21.059 10.955 -5.836 839 HD11 LEU 112 1HD1 LEU 112 18.793 11.727 -5.517 840 HD12 LEU 112 2HD1 LEU 112 19.219 11.714 -7.231 841 HD13 LEU 112 3HD1 LEU 112 19.170 13.239 -6.343 842 HD21 LEU 112 3HD2 LEU 112 21.610 13.665 -7.039 843 HD22 LEU 112 1HD2 LEU 112 21.542 12.137 -7.920 844 HD23 LEU 112 2HD2 LEU 112 22.800 12.404 -6.711 845 HA PRO 113 HA PRO 113 20.699 7.944 -2.594 846 HB2 PRO 113 2HB PRO 113 18.236 7.082 -3.834 847 HB3 PRO 113 1HB PRO 113 18.697 6.969 -2.140 848 HG2 PRO 113 2HG PRO 113 16.706 8.604 -3.042 849 HG3 PRO 113 1HG PRO 113 17.668 8.945 -1.593 850 HD2 PRO 113 2HD PRO 113 17.939 10.063 -4.356 851 HD3 PRO 113 1HD PRO 113 18.078 10.874 -2.773 852 H ALA 114 H ALA 114 21.940 6.811 -3.947 853 HA ALA 114 HA ALA 114 21.713 7.082 -6.791 854 HB1 ALA 114 1HB ALA 114 23.466 5.310 -6.842 855 HB2 ALA 114 2HB ALA 114 23.303 5.133 -5.094 856 HB3 ALA 114 3HB ALA 114 23.897 6.648 -5.777 857 H ARG 115 H ARG 115 20.852 4.813 -4.302 858 HA ARG 115 HA ARG 115 18.592 3.859 -5.560 859 HB2 ARG 115 2HB ARG 115 19.225 1.494 -5.844 860 HB3 ARG 115 1HB ARG 115 20.129 2.521 -6.939 861 HG2 ARG 115 2HG ARG 115 22.085 2.354 -5.446 862 HG3 ARG 115 1HG ARG 115 21.162 1.281 -4.387 863 HD2 ARG 115 2HD ARG 115 22.595 -0.004 -5.910 864 HD3 ARG 115 1HD ARG 115 20.888 -0.307 -6.225 865 HE ARG 115 HE ARG 115 22.235 1.737 -7.804 866 HH11 ARG 115 1HH1 ARG 115 20.900 -1.551 -7.736 867 HH12 ARG 115 2HH1 ARG 115 20.805 -1.669 -9.434 868 HH21 ARG 115 1HH2 ARG 115 22.108 1.546 -10.074 869 HH22 ARG 115 2HH2 ARG 115 21.486 0.138 -10.810 870 H GLU 116 H GLU 116 17.416 2.693 -4.078 871 HA GLU 116 HA GLU 116 18.616 2.534 -1.399 872 HB2 GLU 116 2HB GLU 116 15.773 3.121 -2.241 873 HB3 GLU 116 1HB GLU 116 16.268 2.830 -0.580 874 HG2 GLU 116 2HG GLU 116 17.294 5.065 -2.309 875 HG3 GLU 116 1HG GLU 116 15.993 5.222 -1.133 876 H PHE 117 H PHE 117 15.877 1.343 -3.254 877 HA PHE 117 HA PHE 117 16.594 -1.395 -2.538 878 HB2 PHE 117 2HB PHE 117 13.754 -0.304 -2.586 879 HB3 PHE 117 1HB PHE 117 14.257 -1.927 -2.109 880 HD1 PHE 117 2HD PHE 117 15.875 -2.101 -0.147 881 HD2 PHE 117 1HD PHE 117 13.533 1.325 -0.993 882 HE1 PHE 117 2HE PHE 117 16.264 -1.262 2.150 883 HE2 PHE 117 1HE PHE 117 13.905 2.168 1.287 884 HZ PHE 117 HZ PHE 117 15.278 0.862 2.855 885 H GLN 118 H GLN 118 16.986 -2.333 -4.360 886 HA GLN 118 HA GLN 118 16.086 -1.019 -6.754 887 HB2 GLN 118 2HB GLN 118 17.507 -2.473 -7.986 888 HB3 GLN 118 1HB GLN 118 18.411 -1.769 -6.650 889 HG2 GLN 118 2HG GLN 118 18.070 -3.883 -5.393 890 HG3 GLN 118 1HG GLN 118 17.248 -4.506 -6.834 891 HE21 GLN 118 1HE2 GLN 118 18.437 -5.095 -8.599 892 HE22 GLN 118 2HE2 GLN 118 20.150 -5.230 -8.581 893 H HIS 119 H HIS 119 15.171 -2.040 -8.427 894 HA HIS 119 HA HIS 119 13.627 -3.056 -9.449 895 HB2 HIS 119 2HB HIS 119 15.040 -5.084 -9.209 896 HB3 HIS 119 1HB HIS 119 14.183 -5.501 -7.729 897 HD1 HIS 119 1HD HIS 119 12.359 -7.173 -8.115 898 HD2 HIS 119 2HD HIS 119 13.089 -4.853 -11.473 899 HE1 HIS 119 1HE HIS 119 10.708 -7.948 -9.878 900 H VAL 120 H VAL 120 12.737 -1.370 -7.621 901 HA VAL 120 HA VAL 120 10.395 -2.673 -6.497 902 HB VAL 120 HB VAL 120 9.663 -0.437 -5.703 903 HG11 VAL 120 1HG1 VAL 120 11.430 -0.050 -4.038 904 HG12 VAL 120 2HG1 VAL 120 12.505 -1.093 -4.966 905 HG13 VAL 120 3HG1 VAL 120 11.043 -1.758 -4.237 906 HG21 VAL 120 3HG2 VAL 120 11.097 1.530 -5.892 907 HG22 VAL 120 1HG2 VAL 120 10.636 0.955 -7.494 908 HG23 VAL 120 2HG2 VAL 120 12.253 0.622 -6.858 909 H ASP 121 H ASP 121 8.208 -1.946 -7.189 910 HA ASP 121 HA ASP 121 8.324 -1.969 -10.092 911 HB2 ASP 121 2HB ASP 121 5.892 -2.140 -8.288 912 HB3 ASP 121 1HB ASP 121 5.868 -2.252 -10.041 913 H LYS 122 H LYS 122 7.646 0.308 -7.629 914 HA LYS 122 HA LYS 122 7.698 2.511 -9.425 915 HB2 LYS 122 2HB LYS 122 5.319 1.659 -9.695 916 HB3 LYS 122 1HB LYS 122 5.117 1.936 -7.968 917 HG2 LYS 122 2HG LYS 122 5.442 4.332 -8.319 918 HG3 LYS 122 1HG LYS 122 5.607 4.027 -10.060 919 HD2 LYS 122 2HD LYS 122 3.168 3.425 -8.395 920 HD3 LYS 122 1HD LYS 122 3.368 4.826 -9.447 921 HE2 LYS 122 2HE LYS 122 3.655 3.306 -11.359 922 HE3 LYS 122 1HE LYS 122 3.366 1.926 -10.298 923 HZ1 LYS 122 3HZ LYS 122 1.132 2.982 -9.823 924 HZ2 LYS 122 1HZ LYS 122 1.363 2.451 -11.411 925 HZ3 LYS 122 2HZ LYS 122 1.491 4.067 -11.062 926 H TYR 123 H TYR 123 7.543 4.491 -8.084 927 HA TYR 123 HA TYR 123 7.670 3.953 -5.224 928 HB2 TYR 123 2HB TYR 123 9.502 5.547 -4.841 929 HB3 TYR 123 1HB TYR 123 10.014 4.336 -6.003 930 HD1 TYR 123 1HD TYR 123 9.102 7.781 -5.455 931 HD2 TYR 123 2HD TYR 123 10.420 4.938 -8.289 932 HE1 TYR 123 1HE TYR 123 9.650 9.569 -6.908 933 HE2 TYR 123 2HE TYR 123 11.005 6.708 -9.825 934 HH TYR 123 HH TYR 123 11.101 10.017 -8.862 935 H VAL 124 H VAL 124 6.876 5.557 -3.896 936 HA VAL 124 HA VAL 124 5.348 7.690 -5.160 937 HB VAL 124 HB VAL 124 3.271 7.032 -3.916 938 HG11 VAL 124 1HG1 VAL 124 3.453 6.461 -6.293 939 HG12 VAL 124 2HG1 VAL 124 2.549 5.228 -5.413 940 HG13 VAL 124 3HG1 VAL 124 4.227 4.935 -5.865 941 HG21 VAL 124 3HG2 VAL 124 4.724 4.432 -3.450 942 HG22 VAL 124 1HG2 VAL 124 3.044 4.765 -3.047 943 HG23 VAL 124 2HG2 VAL 124 4.344 5.625 -2.211 944 H LEU 125 H LEU 125 4.147 8.877 -3.261 945 HA LEU 125 HA LEU 125 6.162 9.656 -1.405 946 HB2 LEU 125 2HB LEU 125 4.520 11.243 -2.301 947 HB3 LEU 125 1HB LEU 125 3.221 10.347 -1.551 948 HG LEU 125 HG LEU 125 4.149 10.931 0.677 949 HD11 LEU 125 1HD1 LEU 125 6.470 11.291 0.086 950 HD12 LEU 125 2HD1 LEU 125 5.799 12.737 0.839 951 HD13 LEU 125 3HD1 LEU 125 6.026 12.677 -0.907 952 HD21 LEU 125 3HD2 LEU 125 2.337 12.235 -0.292 953 HD22 LEU 125 1HD2 LEU 125 3.505 13.261 -1.127 954 HD23 LEU 125 2HD2 LEU 125 3.421 13.273 0.635 955 H ASP 126 H ASP 126 6.438 9.061 0.654 956 HA ASP 126 HA ASP 126 5.154 6.729 1.660 957 HB2 ASP 126 2HB ASP 126 7.469 7.155 2.258 958 HB3 ASP 126 1HB ASP 126 7.026 8.670 3.029 959 H ASN 127 H ASN 127 3.212 6.682 2.472 960 HA ASN 127 HA ASN 127 2.288 8.958 4.052 961 HB2 ASN 127 2HB ASN 127 0.702 6.976 2.416 962 HB3 ASN 127 1HB ASN 127 -0.047 7.959 3.664 963 HD21 ASN 127 1HD2 ASN 127 -0.213 10.192 3.341 964 HD22 ASN 127 2HD2 ASN 127 -0.065 10.893 1.770 965 H GLY 128 H GLY 128 1.155 8.531 5.940 966 HA2 GLY 128 2HA GLY 128 0.530 6.177 7.131 967 HA3 GLY 128 1HA GLY 128 2.260 6.354 7.420 968 H GLN 129 H GLN 129 2.755 8.782 7.941 969 HA GLN 129 HA GLN 129 0.838 9.600 9.979 970 HB2 GLN 129 2HB GLN 129 2.704 10.399 11.396 971 HB3 GLN 129 1HB GLN 129 2.810 8.677 11.112 972 HG2 GLN 129 2HG GLN 129 5.014 9.384 10.955 973 HG3 GLN 129 1HG GLN 129 4.508 9.294 9.274 974 HE21 GLN 129 1HE2 GLN 129 3.675 11.916 11.502 975 HE22 GLN 129 2HE2 GLN 129 4.588 13.118 10.676 976 H GLY 130 H GLY 130 0.509 11.800 10.219 977 HA2 GLY 130 2HA GLY 130 1.419 14.050 9.618 978 HA3 GLY 130 1HA GLY 130 1.625 13.383 8.010 979 H GLY 131 H GLY 131 -0.869 13.955 10.473 980 HA2 GLY 131 2HA GLY 131 -2.982 14.082 8.516 981 HA3 GLY 131 1HA GLY 131 -3.078 14.666 10.184 982 H ALA 132 H ALA 132 -1.308 16.415 10.488 983 HA ALA 132 HA ALA 132 -0.904 18.179 8.260 984 HB1 ALA 132 1HB ALA 132 -2.965 19.091 9.282 985 HB2 ALA 132 2HB ALA 132 -1.605 20.166 9.604 986 HB3 ALA 132 3HB ALA 132 -2.191 19.087 10.866 987 H GLY 133 H GLY 133 1.154 17.270 8.505 988 HA2 GLY 133 2HA GLY 133 3.334 17.729 9.265 989 HA3 GLY 133 1HA GLY 133 2.657 18.286 10.796 990 H SER 134 H SER 134 1.280 16.487 11.911 991 HA SER 134 HA SER 134 2.175 13.812 11.449 992 HB2 SER 134 2HB SER 134 4.030 14.879 12.849 993 HB3 SER 134 1HB SER 134 2.837 15.098 14.127 994 HG SER 134 HG SER 134 4.253 13.109 14.073 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -10.239 10.282 -14.232 2 H2 MET 1 2HT MET 1 -10.036 8.856 -13.412 3 H3 MET 1 3HT MET 1 -10.440 8.854 -15.048 4 HA MET 1 HA MET 1 -8.048 8.391 -14.683 5 HB2 MET 1 2HB MET 1 -8.844 9.360 -16.795 6 HB3 MET 1 1HB MET 1 -8.721 10.975 -16.109 7 HG2 MET 1 2HG MET 1 -6.306 10.722 -15.909 8 HG3 MET 1 1HG MET 1 -6.418 9.090 -16.561 9 HE1 MET 1 2HE MET 1 -7.074 8.516 -19.027 10 HE2 MET 1 3HE MET 1 -7.537 9.713 -20.233 11 HE3 MET 1 1HE MET 1 -8.593 9.397 -18.857 12 H GLY 2 H GLY 2 -6.186 8.903 -13.649 13 HA2 GLY 2 2HA GLY 2 -4.725 10.506 -12.616 14 HA3 GLY 2 1HA GLY 2 -6.162 11.394 -12.102 15 H GLU 3 H GLU 3 -6.781 11.089 -10.058 16 HA GLU 3 HA GLU 3 -6.820 8.416 -9.087 17 HB2 GLU 3 2HB GLU 3 -5.550 8.684 -7.092 18 HB3 GLU 3 1HB GLU 3 -4.531 9.240 -8.399 19 HG2 GLU 3 2HG GLU 3 -6.058 11.030 -6.507 20 HG3 GLU 3 1HG GLU 3 -4.372 10.582 -6.326 21 H ASN 4 H ASN 4 -8.075 8.184 -7.190 22 HA ASN 4 HA ASN 4 -9.499 10.429 -6.163 23 HB2 ASN 4 2HB ASN 4 -10.919 9.475 -8.206 24 HB3 ASN 4 1HB ASN 4 -11.187 8.077 -7.181 25 HD21 ASN 4 1HD2 ASN 4 -13.060 10.090 -8.205 26 HD22 ASN 4 2HD2 ASN 4 -13.867 10.726 -6.824 27 H LYS 5 H LYS 5 -7.607 9.230 -5.199 28 HA LYS 5 HA LYS 5 -7.637 6.793 -3.988 29 HB2 LYS 5 2HB LYS 5 -5.995 7.694 -2.374 30 HB3 LYS 5 1HB LYS 5 -5.646 8.135 -4.036 31 HG2 LYS 5 2HG LYS 5 -6.575 10.370 -3.627 32 HG3 LYS 5 1HG LYS 5 -6.898 9.917 -1.952 33 HD2 LYS 5 2HD LYS 5 -4.481 9.488 -1.643 34 HD3 LYS 5 1HD LYS 5 -4.196 10.037 -3.294 35 HE2 LYS 5 2HE LYS 5 -3.713 11.827 -1.735 36 HE3 LYS 5 1HE LYS 5 -5.121 12.239 -2.707 37 HZ1 LYS 5 3HZ LYS 5 -5.179 11.187 0.067 38 HZ2 LYS 5 1HZ LYS 5 -6.549 11.631 -0.826 39 HZ3 LYS 5 2HZ LYS 5 -5.422 12.794 -0.375 40 H VAL 6 H VAL 6 -8.615 5.826 -2.326 41 HA VAL 6 HA VAL 6 -10.569 7.318 -0.788 42 HB VAL 6 HB VAL 6 -10.120 4.378 -0.947 43 HG11 VAL 6 1HG1 VAL 6 -12.463 4.208 -0.179 44 HG12 VAL 6 2HG1 VAL 6 -12.517 5.964 -0.050 45 HG13 VAL 6 3HG1 VAL 6 -11.420 5.042 0.976 46 HG21 VAL 6 3HG2 VAL 6 -12.002 6.026 -2.612 47 HG22 VAL 6 1HG2 VAL 6 -11.985 4.266 -2.546 48 HG23 VAL 6 2HG2 VAL 6 -10.588 5.137 -3.184 49 H CYS 7 H CYS 7 -9.605 8.085 1.032 50 HA CYS 7 HA CYS 7 -7.964 6.266 2.650 51 HB2 CYS 7 2HB CYS 7 -8.765 9.162 3.097 52 HB3 CYS 7 1HB CYS 7 -7.672 8.243 4.128 53 HG CYS 7 HG CYS 7 -6.227 7.786 1.435 54 H GLY 8 H GLY 8 -8.743 6.362 5.200 55 HA2 GLY 8 2HA GLY 8 -10.569 4.578 5.601 56 HA3 GLY 8 1HA GLY 8 -10.425 5.936 6.693 57 H LEU 9 H LEU 9 -12.411 4.178 4.687 58 HA LEU 9 HA LEU 9 -14.612 5.970 5.042 59 HB2 LEU 9 2HB LEU 9 -13.407 6.621 2.935 60 HB3 LEU 9 1HB LEU 9 -13.695 5.005 2.340 61 HG LEU 9 HG LEU 9 -16.129 5.451 2.418 62 HD11 LEU 9 1HD1 LEU 9 -16.861 7.780 2.676 63 HD12 LEU 9 2HD1 LEU 9 -15.219 8.241 3.125 64 HD13 LEU 9 3HD1 LEU 9 -16.146 7.157 4.157 65 HD21 LEU 9 3HD2 LEU 9 -14.849 5.730 0.379 66 HD22 LEU 9 1HD2 LEU 9 -14.437 7.377 0.847 67 HD23 LEU 9 2HD2 LEU 9 -16.109 6.960 0.482 68 H THR 10 H THR 10 -16.474 4.680 5.062 69 HA THR 10 HA THR 10 -16.130 1.867 4.328 70 HB THR 10 HB THR 10 -15.685 2.002 6.773 71 HG1 THR 10 1HG THR 10 -18.031 0.686 5.919 72 HG21 THR 10 3HG2 THR 10 -17.034 3.949 7.349 73 HG22 THR 10 1HG2 THR 10 -17.522 2.576 8.339 74 HG23 THR 10 2HG2 THR 10 -18.513 3.071 6.964 75 H ARG 11 H ARG 11 -17.594 4.471 3.662 76 HA ARG 11 HA ARG 11 -20.382 3.582 3.656 77 HB2 ARG 11 2HB ARG 11 -19.098 6.049 2.534 78 HB3 ARG 11 1HB ARG 11 -20.822 5.765 2.673 79 HG2 ARG 11 2HG ARG 11 -20.665 5.968 5.073 80 HG3 ARG 11 1HG ARG 11 -18.900 6.099 4.967 81 HD2 ARG 11 2HD ARG 11 -19.121 8.097 3.590 82 HD3 ARG 11 1HD ARG 11 -20.871 7.978 3.674 83 HE ARG 11 HE ARG 11 -20.196 8.127 6.235 84 HH11 ARG 11 1HH1 ARG 11 -19.010 10.032 3.464 85 HH12 ARG 11 2HH1 ARG 11 -18.993 11.508 4.300 86 HH21 ARG 11 1HH2 ARG 11 -20.208 10.168 7.370 87 HH22 ARG 11 2HH2 ARG 11 -19.683 11.598 6.597 88 H GLY 12 H GLY 12 -20.759 2.205 2.021 89 HA2 GLY 12 2HA GLY 12 -19.258 1.761 -0.271 90 HA3 GLY 12 1HA GLY 12 -20.959 1.354 -0.067 91 H GLN 13 H GLN 13 -21.908 3.962 0.231 92 HA GLN 13 HA GLN 13 -22.426 4.681 -2.468 93 HB2 GLN 13 2HB GLN 13 -22.910 6.463 -0.075 94 HB3 GLN 13 1HB GLN 13 -23.764 6.471 -1.598 95 HG2 GLN 13 2HG GLN 13 -25.265 5.568 -0.075 96 HG3 GLN 13 1HG GLN 13 -24.629 4.159 -0.924 97 HE21 GLN 13 1HE2 GLN 13 -23.347 2.714 0.213 98 HE22 GLN 13 2HE2 GLN 13 -23.169 2.756 1.933 99 H ASP 14 H ASP 14 -20.168 5.586 -0.120 100 HA ASP 14 HA ASP 14 -19.455 8.148 -1.306 101 HB2 ASP 14 2HB ASP 14 -19.675 7.463 1.201 102 HB3 ASP 14 1HB ASP 14 -18.097 6.770 1.016 103 H ALA 15 H ALA 15 -18.238 4.926 -0.692 104 HA ALA 15 HA ALA 15 -15.640 5.204 -1.721 105 HB1 ALA 15 1HB ALA 15 -15.601 2.755 -1.692 106 HB2 ALA 15 2HB ALA 15 -17.355 2.734 -1.455 107 HB3 ALA 15 3HB ALA 15 -16.310 3.404 -0.211 108 H LYS 16 H LYS 16 -18.668 4.110 -3.216 109 HA LYS 16 HA LYS 16 -17.513 3.358 -5.655 110 HB2 LYS 16 2HB LYS 16 -19.780 3.526 -6.635 111 HB3 LYS 16 1HB LYS 16 -19.681 2.536 -5.194 112 HG2 LYS 16 2HG LYS 16 -20.573 4.465 -3.890 113 HG3 LYS 16 1HG LYS 16 -20.752 5.347 -5.404 114 HD2 LYS 16 2HD LYS 16 -22.093 2.705 -4.810 115 HD3 LYS 16 1HD LYS 16 -22.854 4.272 -4.567 116 HE2 LYS 16 2HE LYS 16 -21.846 3.190 -7.198 117 HE3 LYS 16 1HE LYS 16 -23.526 3.241 -6.670 118 HZ1 LYS 16 3HZ LYS 16 -23.316 5.688 -6.530 119 HZ2 LYS 16 1HZ LYS 16 -23.113 5.083 -8.093 120 HZ3 LYS 16 2HZ LYS 16 -21.773 5.582 -7.227 121 H ALA 17 H ALA 17 -18.234 6.487 -4.448 122 HA ALA 17 HA ALA 17 -18.371 7.832 -6.927 123 HB1 ALA 17 1HB ALA 17 -17.893 9.863 -5.641 124 HB2 ALA 17 2HB ALA 17 -17.434 8.883 -4.249 125 HB3 ALA 17 3HB ALA 17 -19.103 8.873 -4.827 126 H ALA 18 H ALA 18 -15.730 6.613 -5.012 127 HA ALA 18 HA ALA 18 -13.685 8.070 -6.392 128 HB1 ALA 18 1HB ALA 18 -13.570 5.674 -4.590 129 HB2 ALA 18 2HB ALA 18 -13.411 7.361 -4.091 130 HB3 ALA 18 3HB ALA 18 -12.183 6.618 -5.126 131 H TYR 19 H TYR 19 -15.016 4.848 -6.431 132 HA TYR 19 HA TYR 19 -13.322 3.827 -8.466 133 HB2 TYR 19 2HB TYR 19 -14.155 2.041 -7.490 134 HB3 TYR 19 1HB TYR 19 -15.564 2.867 -6.871 135 HD1 TYR 19 2HD TYR 19 -14.063 0.932 -9.580 136 HD2 TYR 19 1HD TYR 19 -17.647 2.671 -8.158 137 HE1 TYR 19 2HE TYR 19 -15.337 -0.380 -11.243 138 HE2 TYR 19 1HE TYR 19 -18.952 1.368 -9.808 139 HH TYR 19 HH TYR 19 -18.520 0.304 -12.002 140 H ASP 20 H ASP 20 -16.320 5.491 -8.454 141 HA ASP 20 HA ASP 20 -17.092 5.171 -11.147 142 HB2 ASP 20 2HB ASP 20 -18.443 6.224 -9.284 143 HB3 ASP 20 1HB ASP 20 -17.495 7.681 -9.518 144 H ALA 21 H ALA 21 -14.476 6.867 -9.828 145 HA ALA 21 HA ALA 21 -14.069 8.737 -11.957 146 HB1 ALA 21 1HB ALA 21 -11.921 9.174 -10.879 147 HB2 ALA 21 2HB ALA 21 -12.176 7.769 -9.844 148 HB3 ALA 21 3HB ALA 21 -13.246 9.167 -9.709 149 H GLY 22 H GLY 22 -13.635 5.384 -11.757 150 HA2 GLY 22 2HA GLY 22 -13.099 4.659 -14.140 151 HA3 GLY 22 1HA GLY 22 -11.593 5.522 -13.883 152 H ALA 23 H ALA 23 -12.828 3.948 -11.143 153 HA ALA 23 HA ALA 23 -12.118 2.212 -9.844 154 HB1 ALA 23 1HB ALA 23 -11.652 0.870 -12.513 155 HB2 ALA 23 2HB ALA 23 -13.186 0.905 -11.644 156 HB3 ALA 23 3HB ALA 23 -11.800 0.051 -10.957 157 H ILE 24 H ILE 24 -10.241 4.194 -10.597 158 HA ILE 24 HA ILE 24 -7.805 3.310 -11.644 159 HB ILE 24 HB ILE 24 -8.036 5.513 -9.614 160 HG12 ILE 24 2HG1 ILE 24 -8.560 5.717 -12.592 161 HG13 ILE 24 1HG1 ILE 24 -9.821 5.709 -11.369 162 HG21 ILE 24 1HG2 ILE 24 -5.801 4.808 -10.346 163 HG22 ILE 24 2HG2 ILE 24 -6.176 6.453 -10.867 164 HG23 ILE 24 3HG2 ILE 24 -6.254 5.118 -12.021 165 HD11 ILE 24 3HD1 ILE 24 -7.635 7.734 -11.633 166 HD12 ILE 24 1HD1 ILE 24 -8.883 7.724 -10.392 167 HD13 ILE 24 2HD1 ILE 24 -9.331 7.955 -12.085 168 H TYR 25 H TYR 25 -8.295 4.238 -8.299 169 HA TYR 25 HA TYR 25 -7.352 1.999 -6.978 170 HB2 TYR 25 2HB TYR 25 -5.047 2.171 -6.739 171 HB3 TYR 25 1HB TYR 25 -5.230 2.861 -8.349 172 HD1 TYR 25 2HD TYR 25 -4.833 3.599 -4.861 173 HD2 TYR 25 1HD TYR 25 -4.605 5.084 -8.777 174 HE1 TYR 25 2HE TYR 25 -3.861 5.471 -3.983 175 HE2 TYR 25 1HE TYR 25 -3.552 7.120 -7.969 176 HH TYR 25 HH TYR 25 -2.502 7.467 -4.633 177 H GLY 26 H GLY 26 -6.869 2.362 -4.780 178 HA2 GLY 26 2HA GLY 26 -8.035 4.847 -3.796 179 HA3 GLY 26 1HA GLY 26 -8.467 3.270 -3.132 180 H GLY 27 H GLY 27 -6.678 5.818 -2.367 181 HA2 GLY 27 2HA GLY 27 -4.315 4.335 -1.553 182 HA3 GLY 27 1HA GLY 27 -4.505 6.087 -1.552 183 H LEU 28 H LEU 28 -5.279 3.127 0.085 184 HA LEU 28 HA LEU 28 -5.898 4.727 2.373 185 HB2 LEU 28 2HB LEU 28 -7.397 2.920 3.247 186 HB3 LEU 28 1HB LEU 28 -8.012 3.765 1.863 187 HG LEU 28 HG LEU 28 -8.653 1.469 1.764 188 HD11 LEU 28 1HD1 LEU 28 -6.573 1.995 -0.306 189 HD12 LEU 28 2HD1 LEU 28 -8.275 2.441 -0.360 190 HD13 LEU 28 3HD1 LEU 28 -7.805 0.746 -0.400 191 HD21 LEU 28 3HD2 LEU 28 -6.888 0.527 3.152 192 HD22 LEU 28 1HD2 LEU 28 -5.744 0.695 1.822 193 HD23 LEU 28 2HD2 LEU 28 -7.113 -0.412 1.662 194 H ILE 29 H ILE 29 -5.217 4.019 4.278 195 HA ILE 29 HA ILE 29 -3.249 1.967 3.985 196 HB ILE 29 HB ILE 29 -1.894 3.024 5.818 197 HG12 ILE 29 2HG1 ILE 29 -3.513 4.901 6.369 198 HG13 ILE 29 1HG1 ILE 29 -1.870 5.413 6.029 199 HG21 ILE 29 1HG2 ILE 29 -1.302 2.575 3.710 200 HG22 ILE 29 2HG2 ILE 29 -0.612 4.166 4.148 201 HG23 ILE 29 3HG2 ILE 29 -2.003 4.045 3.030 202 HD11 ILE 29 3HD1 ILE 29 -4.202 5.604 4.118 203 HD12 ILE 29 1HD1 ILE 29 -2.560 6.167 3.806 204 HD13 ILE 29 2HD1 ILE 29 -3.540 6.933 5.064 205 H PHE 30 H PHE 30 -2.524 0.854 5.590 206 HA PHE 30 HA PHE 30 -4.816 -0.289 6.922 207 HB2 PHE 30 2HB PHE 30 -1.949 -1.193 7.255 208 HB3 PHE 30 1HB PHE 30 -3.394 -2.105 7.653 209 HD1 PHE 30 1HD PHE 30 -4.830 -3.023 5.746 210 HD2 PHE 30 2HD PHE 30 -1.032 -1.171 5.107 211 HE1 PHE 30 1HE PHE 30 -4.649 -4.079 3.453 212 HE2 PHE 30 2HE PHE 30 -0.890 -2.203 2.929 213 HZ PHE 30 HZ PHE 30 -2.691 -3.642 2.098 214 H VAL 31 H VAL 31 -5.392 1.356 8.384 215 HA VAL 31 HA VAL 31 -3.755 1.241 10.807 216 HB VAL 31 HB VAL 31 -5.732 3.429 10.090 217 HG11 VAL 31 1HG1 VAL 31 -4.892 4.567 12.079 218 HG12 VAL 31 2HG1 VAL 31 -3.825 3.197 12.405 219 HG13 VAL 31 3HG1 VAL 31 -5.573 2.985 12.474 220 HG21 VAL 31 3HG2 VAL 31 -3.823 4.905 9.827 221 HG22 VAL 31 1HG2 VAL 31 -3.682 3.549 8.718 222 HG23 VAL 31 2HG2 VAL 31 -2.709 3.591 10.193 223 H ALA 32 H ALA 32 -4.578 0.215 12.381 224 HA ALA 32 HA ALA 32 -6.702 -1.492 12.068 225 HB1 ALA 32 1HB ALA 32 -5.456 -0.631 14.660 226 HB2 ALA 32 2HB ALA 32 -4.829 -1.877 13.581 227 HB3 ALA 32 3HB ALA 32 -6.386 -2.104 14.378 228 H THR 33 H THR 33 -8.617 -0.822 11.676 229 HA THR 33 HA THR 33 -10.736 -0.379 12.025 230 HB THR 33 HB THR 33 -11.658 -0.235 14.347 231 HG1 THR 33 1HG THR 33 -9.071 0.301 14.908 232 HG21 THR 33 3HG2 THR 33 -11.368 -2.384 13.289 233 HG22 THR 33 1HG2 THR 33 -10.965 -2.507 14.998 234 HG23 THR 33 2HG2 THR 33 -9.676 -2.434 13.795 235 H SER 34 H SER 34 -8.792 1.891 11.634 236 HA SER 34 HA SER 34 -10.186 4.022 12.980 237 HB2 SER 34 2HB SER 34 -8.544 5.481 11.917 238 HB3 SER 34 1HB SER 34 -7.735 4.114 12.689 239 HG SER 34 HG SER 34 -8.225 3.344 10.223 240 HA PRO 35 HA PRO 35 -12.515 4.837 9.216 241 HB2 PRO 35 2HB PRO 35 -13.852 7.005 10.016 242 HB3 PRO 35 1HB PRO 35 -14.231 5.424 10.712 243 HG2 PRO 35 2HG PRO 35 -12.695 7.700 11.875 244 HG3 PRO 35 1HG PRO 35 -13.747 6.533 12.688 245 HD2 PRO 35 2HD PRO 35 -10.933 6.444 12.568 246 HD3 PRO 35 1HD PRO 35 -12.003 5.120 13.075 247 H ARG 36 H ARG 36 -9.896 6.125 10.173 248 HA ARG 36 HA ARG 36 -9.821 8.565 8.539 249 HB2 ARG 36 2HB ARG 36 -8.942 8.592 10.855 250 HB3 ARG 36 1HB ARG 36 -7.817 7.328 10.421 251 HG2 ARG 36 2HG ARG 36 -6.706 8.839 8.868 252 HG3 ARG 36 1HG ARG 36 -7.843 10.122 9.311 253 HD2 ARG 36 2HD ARG 36 -7.107 9.997 11.620 254 HD3 ARG 36 1HD ARG 36 -6.005 8.687 11.215 255 HE ARG 36 HE ARG 36 -5.542 11.001 9.645 256 HH11 ARG 36 1HH1 ARG 36 -4.987 9.698 12.917 257 HH12 ARG 36 2HH1 ARG 36 -3.510 10.519 13.111 258 HH21 ARG 36 1HH2 ARG 36 -3.520 12.149 9.993 259 HH22 ARG 36 2HH2 ARG 36 -2.671 11.922 11.458 260 H CYS 37 H CYS 37 -8.848 5.260 8.642 261 HA CYS 37 HA CYS 37 -7.640 5.289 6.066 262 HB2 CYS 37 2HB CYS 37 -6.041 4.535 8.529 263 HB3 CYS 37 1HB CYS 37 -5.517 4.296 6.868 264 HG CYS 37 HG CYS 37 -6.190 7.429 7.075 265 H VAL 38 H VAL 38 -7.705 3.025 5.278 266 HA VAL 38 HA VAL 38 -9.419 1.516 7.066 267 HB VAL 38 HB VAL 38 -9.758 2.282 4.246 268 HG11 VAL 38 1HG1 VAL 38 -9.152 -0.040 3.833 269 HG12 VAL 38 2HG1 VAL 38 -10.875 0.221 3.554 270 HG13 VAL 38 3HG1 VAL 38 -10.327 -0.571 5.033 271 HG21 VAL 38 3HG2 VAL 38 -12.071 1.935 4.776 272 HG22 VAL 38 1HG2 VAL 38 -11.298 2.826 6.085 273 HG23 VAL 38 2HG2 VAL 38 -11.635 1.102 6.263 274 H ASN 39 H ASN 39 -9.145 -0.467 7.425 275 HA ASN 39 HA ASN 39 -6.612 -1.686 6.579 276 HB2 ASN 39 2HB ASN 39 -7.027 -3.182 8.581 277 HB3 ASN 39 1HB ASN 39 -6.580 -1.531 8.959 278 HD21 ASN 39 1HD2 ASN 39 -8.881 -3.962 9.213 279 HD22 ASN 39 2HD2 ASN 39 -10.056 -3.050 10.103 280 H VAL 40 H VAL 40 -6.737 -4.112 6.626 281 HA VAL 40 HA VAL 40 -8.038 -4.666 4.262 282 HB VAL 40 HB VAL 40 -6.085 -5.894 5.331 283 HG11 VAL 40 1HG1 VAL 40 -8.230 -7.586 6.577 284 HG12 VAL 40 2HG1 VAL 40 -7.071 -6.579 7.432 285 HG13 VAL 40 3HG1 VAL 40 -6.512 -7.982 6.518 286 HG21 VAL 40 3HG2 VAL 40 -6.635 -8.045 4.165 287 HG22 VAL 40 1HG2 VAL 40 -6.784 -6.544 3.245 288 HG23 VAL 40 2HG2 VAL 40 -8.235 -7.348 3.867 289 H GLU 41 H GLU 41 -9.187 -5.035 7.541 290 HA GLU 41 HA GLU 41 -11.226 -6.827 6.974 291 HB2 GLU 41 2HB GLU 41 -10.700 -4.949 9.184 292 HB3 GLU 41 1HB GLU 41 -11.965 -6.189 9.241 293 HG2 GLU 41 2HG GLU 41 -10.364 -7.459 10.188 294 HG3 GLU 41 1HG GLU 41 -9.699 -7.588 8.572 295 H GLN 42 H GLN 42 -11.283 -3.156 7.330 296 HA GLN 42 HA GLN 42 -14.044 -3.106 6.690 297 HB2 GLN 42 2HB GLN 42 -11.831 -1.086 6.538 298 HB3 GLN 42 1HB GLN 42 -13.514 -0.716 6.177 299 HG2 GLN 42 2HG GLN 42 -14.156 -0.968 8.379 300 HG3 GLN 42 1HG GLN 42 -12.715 -1.928 8.779 301 HE21 GLN 42 1HE2 GLN 42 -10.868 -0.951 9.046 302 HE22 GLN 42 2HE2 GLN 42 -10.729 0.731 9.238 303 H ALA 43 H ALA 43 -11.050 -2.914 4.934 304 HA ALA 43 HA ALA 43 -11.871 -1.841 2.532 305 HB1 ALA 43 1HB ALA 43 -9.556 -2.090 3.244 306 HB2 ALA 43 2HB ALA 43 -9.830 -2.734 1.623 307 HB3 ALA 43 3HB ALA 43 -9.697 -3.831 2.999 308 H GLN 44 H GLN 44 -11.968 -5.265 3.568 309 HA GLN 44 HA GLN 44 -12.305 -6.264 1.106 310 HB2 GLN 44 2HB GLN 44 -13.427 -7.990 2.298 311 HB3 GLN 44 1HB GLN 44 -11.694 -7.763 2.566 312 HG2 GLN 44 2HG GLN 44 -12.836 -6.448 4.653 313 HG3 GLN 44 1HG GLN 44 -14.053 -7.706 4.345 314 HE21 GLN 44 1HE2 GLN 44 -10.659 -7.818 3.708 315 HE22 GLN 44 2HE2 GLN 44 -10.288 -9.143 4.681 316 H GLU 45 H GLU 45 -14.473 -4.929 3.304 317 HA GLU 45 HA GLU 45 -16.953 -5.740 2.046 318 HB2 GLU 45 2HB GLU 45 -16.416 -3.487 3.952 319 HB3 GLU 45 1HB GLU 45 -17.996 -4.156 3.579 320 HG2 GLU 45 2HG GLU 45 -15.768 -5.627 4.993 321 HG3 GLU 45 1HG GLU 45 -17.223 -4.980 5.751 322 H VAL 46 H VAL 46 -14.914 -2.916 2.228 323 HA VAL 46 HA VAL 46 -16.496 -1.139 0.746 324 HB VAL 46 HB VAL 46 -13.476 -1.069 1.036 325 HG11 VAL 46 1HG1 VAL 46 -14.344 0.511 -0.578 326 HG12 VAL 46 2HG1 VAL 46 -13.757 1.329 0.892 327 HG13 VAL 46 3HG1 VAL 46 -15.493 1.093 0.641 328 HG21 VAL 46 3HG2 VAL 46 -14.440 -1.300 3.233 329 HG22 VAL 46 1HG2 VAL 46 -15.575 0.016 2.911 330 HG23 VAL 46 2HG2 VAL 46 -13.844 0.339 3.008 331 H MET 47 H MET 47 -14.041 -3.463 -0.227 332 HA MET 47 HA MET 47 -13.835 -2.548 -2.901 333 HB2 MET 47 2HB MET 47 -12.516 -4.540 -3.401 334 HB3 MET 47 1HB MET 47 -12.060 -3.849 -1.854 335 HG2 MET 47 2HG MET 47 -11.969 -6.194 -1.640 336 HG3 MET 47 1HG MET 47 -13.367 -5.634 -0.735 337 HE1 MET 47 3HE MET 47 -12.668 -8.693 -1.696 338 HE2 MET 47 1HE MET 47 -14.299 -9.242 -2.084 339 HE3 MET 47 2HE MET 47 -14.016 -8.268 -0.641 340 H ALA 48 H ALA 48 -16.268 -4.304 -1.417 341 HA ALA 48 HA ALA 48 -17.249 -5.479 -3.866 342 HB1 ALA 48 1HB ALA 48 -18.523 -5.248 -1.137 343 HB2 ALA 48 2HB ALA 48 -17.606 -6.632 -1.730 344 HB3 ALA 48 3HB ALA 48 -19.146 -6.203 -2.482 345 H ALA 49 H ALA 49 -17.367 -2.503 -2.263 346 HA ALA 49 HA ALA 49 -19.860 -1.685 -3.542 347 HB1 ALA 49 1HB ALA 49 -19.725 0.278 -2.099 348 HB2 ALA 49 2HB ALA 49 -18.169 -0.282 -1.479 349 HB3 ALA 49 3HB ALA 49 -19.635 -1.209 -1.157 350 H ALA 50 H ALA 50 -16.320 -1.084 -3.576 351 HA ALA 50 HA ALA 50 -16.752 0.385 -5.975 352 HB1 ALA 50 1HB ALA 50 -14.987 1.153 -3.643 353 HB2 ALA 50 2HB ALA 50 -16.396 2.044 -4.227 354 HB3 ALA 50 3HB ALA 50 -14.964 1.914 -5.234 355 HA PRO 51 HA PRO 51 -13.804 -3.022 -6.363 356 HB2 PRO 51 2HB PRO 51 -14.596 -3.244 -9.137 357 HB3 PRO 51 1HB PRO 51 -14.876 -4.360 -7.789 358 HG2 PRO 51 2HG PRO 51 -16.863 -2.901 -9.044 359 HG3 PRO 51 1HG PRO 51 -16.971 -3.614 -7.428 360 HD2 PRO 51 2HD PRO 51 -16.424 -0.797 -8.229 361 HD3 PRO 51 1HD PRO 51 -17.320 -1.430 -6.834 362 H LEU 52 H LEU 52 -12.726 -0.811 -6.154 363 HA LEU 52 HA LEU 52 -11.239 -0.184 -8.579 364 HB2 LEU 52 2HB LEU 52 -10.363 1.701 -6.969 365 HB3 LEU 52 1HB LEU 52 -11.900 1.949 -7.745 366 HG LEU 52 HG LEU 52 -12.829 0.904 -5.522 367 HD11 LEU 52 1HD1 LEU 52 -11.550 1.327 -3.556 368 HD12 LEU 52 2HD1 LEU 52 -10.148 1.777 -4.539 369 HD13 LEU 52 3HD1 LEU 52 -10.794 0.129 -4.601 370 HD21 LEU 52 3HD2 LEU 52 -11.718 3.701 -5.669 371 HD22 LEU 52 1HD2 LEU 52 -12.794 3.093 -4.397 372 HD23 LEU 52 2HD2 LEU 52 -13.364 3.121 -6.044 373 H GLN 53 H GLN 53 -8.755 0.370 -7.961 374 HA GLN 53 HA GLN 53 -7.698 -2.077 -7.099 375 HB2 GLN 53 2HB GLN 53 -6.804 -1.101 -8.947 376 HB3 GLN 53 1HB GLN 53 -6.730 0.511 -8.234 377 HG2 GLN 53 2HG GLN 53 -5.163 -0.346 -6.706 378 HG3 GLN 53 1HG GLN 53 -5.102 -1.883 -7.613 379 HE21 GLN 53 1HE2 GLN 53 -2.889 -0.147 -7.127 380 HE22 GLN 53 2HE2 GLN 53 -2.379 0.545 -8.637 381 H TYR 54 H TYR 54 -6.609 -2.427 -5.210 382 HA TYR 54 HA TYR 54 -6.535 -0.206 -3.314 383 HB2 TYR 54 2HB TYR 54 -6.797 -3.187 -2.817 384 HB3 TYR 54 1HB TYR 54 -6.335 -2.034 -1.566 385 HD1 TYR 54 2HD TYR 54 -9.053 -2.500 -4.100 386 HD2 TYR 54 1HD TYR 54 -7.936 -1.179 -0.235 387 HE1 TYR 54 2HE TYR 54 -11.394 -1.952 -3.612 388 HE2 TYR 54 1HE TYR 54 -10.264 -0.615 0.263 389 HH TYR 54 HH TYR 54 -12.850 -1.558 -1.752 390 H VAL 55 H VAL 55 -4.703 0.292 -2.248 391 HA VAL 55 HA VAL 55 -2.337 -1.261 -2.857 392 HB VAL 55 HB VAL 55 -2.268 0.693 -4.383 393 HG11 VAL 55 1HG1 VAL 55 -3.697 2.241 -3.170 394 HG12 VAL 55 2HG1 VAL 55 -2.138 2.998 -3.504 395 HG13 VAL 55 3HG1 VAL 55 -2.496 2.385 -1.892 396 HG21 VAL 55 3HG2 VAL 55 -0.154 -0.142 -3.375 397 HG22 VAL 55 1HG2 VAL 55 -0.325 1.040 -2.095 398 HG23 VAL 55 2HG2 VAL 55 -0.071 1.582 -3.757 399 H GLY 56 H GLY 56 -1.027 -1.478 -1.208 400 HA2 GLY 56 2HA GLY 56 -1.932 -0.299 1.347 401 HA3 GLY 56 1HA GLY 56 -1.080 -1.856 1.105 402 H VAL 57 H VAL 57 -0.764 1.155 2.202 403 HA VAL 57 HA VAL 57 2.069 1.236 1.436 404 HB VAL 57 HB VAL 57 0.515 3.580 2.528 405 HG11 VAL 57 1HG1 VAL 57 3.122 3.447 1.048 406 HG12 VAL 57 2HG1 VAL 57 2.885 3.763 2.763 407 HG13 VAL 57 3HG1 VAL 57 2.315 4.928 1.565 408 HG21 VAL 57 3HG2 VAL 57 0.319 4.487 0.223 409 HG22 VAL 57 1HG2 VAL 57 -0.616 3.014 0.461 410 HG23 VAL 57 2HG2 VAL 57 0.904 2.949 -0.414 411 H PHE 58 H PHE 58 3.132 0.312 3.138 412 HA PHE 58 HA PHE 58 2.697 1.404 5.733 413 HB2 PHE 58 2HB PHE 58 0.801 -0.238 5.509 414 HB3 PHE 58 1HB PHE 58 1.988 -1.518 5.305 415 HD1 PHE 58 2HD PHE 58 0.960 1.160 7.674 416 HD2 PHE 58 1HD PHE 58 2.742 -2.667 7.183 417 HE1 PHE 58 2HE PHE 58 1.034 0.885 10.117 418 HE2 PHE 58 1HE PHE 58 2.816 -2.953 9.622 419 HZ PHE 58 HZ PHE 58 1.963 -1.172 11.095 420 H ARG 59 H ARG 59 4.384 0.951 7.029 421 HA ARG 59 HA ARG 59 6.565 -0.390 5.696 422 HB2 ARG 59 2HB ARG 59 6.487 1.141 8.317 423 HB3 ARG 59 1HB ARG 59 7.941 0.580 7.484 424 HG2 ARG 59 2HG ARG 59 7.397 2.001 5.562 425 HG3 ARG 59 1HG ARG 59 5.959 2.556 6.396 426 HD2 ARG 59 2HD ARG 59 7.267 3.641 8.079 427 HD3 ARG 59 1HD ARG 59 8.761 2.955 7.432 428 HE ARG 59 HE ARG 59 7.114 4.628 5.698 429 HH11 ARG 59 1HH1 ARG 59 10.038 4.431 7.704 430 HH12 ARG 59 2HH1 ARG 59 10.860 5.663 6.851 431 HH21 ARG 59 1HH2 ARG 59 8.282 6.321 4.542 432 HH22 ARG 59 2HH2 ARG 59 9.857 6.720 5.022 433 H ASN 60 H ASN 60 5.965 -2.508 5.764 434 HA ASN 60 HA ASN 60 4.806 -3.613 8.004 435 HB2 ASN 60 2HB ASN 60 5.663 -4.745 5.355 436 HB3 ASN 60 1HB ASN 60 4.890 -5.682 6.620 437 HD21 ASN 60 1HD2 ASN 60 2.592 -5.499 6.914 438 HD22 ASN 60 2HD2 ASN 60 1.676 -4.546 5.833 439 H HIS 61 H HIS 61 5.433 -5.339 8.645 440 HA HIS 61 HA HIS 61 8.272 -5.603 9.410 441 HB2 HIS 61 2HB HIS 61 7.201 -6.741 11.563 442 HB3 HIS 61 1HB HIS 61 7.318 -4.991 11.444 443 HD1 HIS 61 1HD HIS 61 4.743 -7.774 11.728 444 HD2 HIS 61 2HD HIS 61 4.857 -3.664 10.985 445 HE1 HIS 61 1HE HIS 61 2.384 -6.962 11.826 446 H ASP 62 H ASP 62 5.502 -7.790 9.756 447 HA ASP 62 HA ASP 62 7.153 -10.098 9.178 448 HB2 ASP 62 2HB ASP 62 4.160 -9.870 9.558 449 HB3 ASP 62 1HB ASP 62 5.044 -11.375 9.421 450 H ILE 63 H ILE 63 7.382 -11.073 7.267 451 HA ILE 63 HA ILE 63 6.212 -9.914 4.932 452 HB ILE 63 HB ILE 63 8.380 -11.000 4.692 453 HG12 ILE 63 2HG1 ILE 63 6.486 -12.805 3.202 454 HG13 ILE 63 1HG1 ILE 63 6.578 -11.089 2.842 455 HG21 ILE 63 1HG2 ILE 63 7.014 -13.557 5.491 456 HG22 ILE 63 2HG2 ILE 63 8.230 -12.679 6.418 457 HG23 ILE 63 3HG2 ILE 63 8.663 -13.427 4.879 458 HD11 ILE 63 3HD1 ILE 63 7.952 -12.445 1.346 459 HD12 ILE 63 1HD1 ILE 63 8.854 -13.056 2.733 460 HD13 ILE 63 2HD1 ILE 63 8.926 -11.340 2.296 461 H ALA 64 H ALA 64 5.340 -12.470 7.052 462 HA ALA 64 HA ALA 64 3.384 -13.719 5.418 463 HB1 ALA 64 1HB ALA 64 2.599 -14.743 7.480 464 HB2 ALA 64 2HB ALA 64 3.567 -13.612 8.426 465 HB3 ALA 64 3HB ALA 64 4.359 -14.804 7.395 466 H ASP 65 H ASP 65 3.481 -10.811 7.077 467 HA ASP 65 HA ASP 65 0.625 -10.551 7.508 468 HB2 ASP 65 2HB ASP 65 2.013 -9.519 9.163 469 HB3 ASP 65 1HB ASP 65 2.941 -8.670 7.932 470 H VAL 66 H VAL 66 3.130 -9.321 5.427 471 HA VAL 66 HA VAL 66 1.522 -7.573 3.912 472 HB VAL 66 HB VAL 66 3.968 -9.063 2.950 473 HG11 VAL 66 1HG1 VAL 66 2.744 -7.966 1.172 474 HG12 VAL 66 2HG1 VAL 66 4.262 -7.112 1.472 475 HG13 VAL 66 3HG1 VAL 66 2.739 -6.459 2.086 476 HG21 VAL 66 3HG2 VAL 66 4.526 -7.964 5.027 477 HG22 VAL 66 1HG2 VAL 66 3.791 -6.467 4.462 478 HG23 VAL 66 2HG2 VAL 66 5.246 -7.063 3.690 479 H VAL 67 H VAL 67 2.557 -10.918 3.494 480 HA VAL 67 HA VAL 67 1.294 -11.391 1.006 481 HB VAL 67 HB VAL 67 1.888 -13.417 3.200 482 HG11 VAL 67 1HG1 VAL 67 1.356 -13.863 0.257 483 HG12 VAL 67 2HG1 VAL 67 0.281 -14.306 1.584 484 HG13 VAL 67 3HG1 VAL 67 1.845 -15.103 1.411 485 HG21 VAL 67 3HG2 VAL 67 3.875 -12.223 2.463 486 HG22 VAL 67 1HG2 VAL 67 3.504 -12.622 0.786 487 HG23 VAL 67 2HG2 VAL 67 3.914 -13.902 1.928 488 H ASP 68 H ASP 68 0.226 -11.753 4.291 489 HA ASP 68 HA ASP 68 -2.278 -12.888 3.965 490 HB2 ASP 68 2HB ASP 68 -1.257 -12.601 6.133 491 HB3 ASP 68 1HB ASP 68 -1.284 -10.855 5.962 492 H LYS 69 H LYS 69 -1.564 -9.419 4.308 493 HA LYS 69 HA LYS 69 -4.227 -8.536 3.737 494 HB2 LYS 69 2HB LYS 69 -1.662 -6.964 3.387 495 HB3 LYS 69 1HB LYS 69 -3.276 -6.307 3.596 496 HG2 LYS 69 2HG LYS 69 -1.709 -7.846 5.667 497 HG3 LYS 69 1HG LYS 69 -1.967 -6.099 5.633 498 HD2 LYS 69 2HD LYS 69 -4.303 -6.378 5.932 499 HD3 LYS 69 1HD LYS 69 -4.173 -8.133 5.770 500 HE2 LYS 69 2HE LYS 69 -2.966 -6.458 7.955 501 HE3 LYS 69 1HE LYS 69 -4.436 -7.422 8.100 502 HZ1 LYS 69 3HZ LYS 69 -2.768 -8.723 8.988 503 HZ2 LYS 69 1HZ LYS 69 -1.653 -8.374 7.762 504 HZ3 LYS 69 2HZ LYS 69 -3.000 -9.359 7.443 505 H ALA 70 H ALA 70 -1.421 -8.934 1.703 506 HA ALA 70 HA ALA 70 -2.440 -7.732 -0.622 507 HB1 ALA 70 1HB ALA 70 -0.649 -8.878 -1.752 508 HB2 ALA 70 2HB ALA 70 -0.476 -9.993 -0.403 509 HB3 ALA 70 3HB ALA 70 -0.076 -8.290 -0.194 510 H LYS 71 H LYS 71 -2.670 -11.114 0.583 511 HA LYS 71 HA LYS 71 -3.968 -11.946 -1.771 512 HB2 LYS 71 2HB LYS 71 -2.519 -13.444 -0.656 513 HB3 LYS 71 1HB LYS 71 -3.332 -13.180 0.879 514 HG2 LYS 71 2HG LYS 71 -5.324 -14.241 -0.012 515 HG3 LYS 71 1HG LYS 71 -4.478 -14.527 -1.532 516 HD2 LYS 71 2HD LYS 71 -2.945 -15.985 -0.526 517 HD3 LYS 71 1HD LYS 71 -3.428 -15.494 1.102 518 HE2 LYS 71 2HE LYS 71 -4.420 -17.606 0.627 519 HE3 LYS 71 1HE LYS 71 -5.620 -16.301 0.665 520 HZ1 LYS 71 3HZ LYS 71 -5.985 -17.856 -1.192 521 HZ2 LYS 71 1HZ LYS 71 -4.503 -17.425 -1.862 522 HZ3 LYS 71 2HZ LYS 71 -5.755 -16.293 -1.708 523 H VAL 72 H VAL 72 -4.930 -11.331 1.631 524 HA VAL 72 HA VAL 72 -7.566 -12.233 1.449 525 HB VAL 72 HB VAL 72 -6.545 -9.987 3.224 526 HG11 VAL 72 1HG1 VAL 72 -8.965 -9.952 3.066 527 HG12 VAL 72 2HG1 VAL 72 -8.468 -10.504 4.667 528 HG13 VAL 72 3HG1 VAL 72 -9.040 -11.669 3.468 529 HG21 VAL 72 3HG2 VAL 72 -6.383 -11.696 4.965 530 HG22 VAL 72 1HG2 VAL 72 -5.332 -12.037 3.596 531 HG23 VAL 72 2HG2 VAL 72 -6.841 -12.937 3.791 532 H LEU 73 H LEU 73 -6.421 -8.841 1.146 533 HA LEU 73 HA LEU 73 -9.042 -8.083 0.278 534 HB2 LEU 73 2HB LEU 73 -7.758 -6.672 1.663 535 HB3 LEU 73 1HB LEU 73 -6.458 -6.572 0.484 536 HG LEU 73 HG LEU 73 -7.961 -5.306 -0.991 537 HD11 LEU 73 1HD1 LEU 73 -10.136 -4.559 -0.114 538 HD12 LEU 73 2HD1 LEU 73 -9.908 -5.594 1.303 539 HD13 LEU 73 3HD1 LEU 73 -10.071 -6.310 -0.291 540 HD21 LEU 73 3HD2 LEU 73 -6.524 -4.203 0.634 541 HD22 LEU 73 1HD2 LEU 73 -7.812 -4.284 1.826 542 HD23 LEU 73 2HD2 LEU 73 -8.017 -3.297 0.372 543 H SER 74 H SER 74 -6.354 -9.368 -1.254 544 HA SER 74 HA SER 74 -5.636 -9.583 -3.345 545 HB2 SER 74 2HB SER 74 -7.916 -10.471 -3.775 546 HB3 SER 74 1HB SER 74 -8.501 -8.839 -4.082 547 HG SER 74 HG SER 74 -6.969 -8.769 -5.802 548 H LEU 75 H LEU 75 -4.483 -7.666 -2.526 549 HA LEU 75 HA LEU 75 -5.004 -5.060 -3.449 550 HB2 LEU 75 2HB LEU 75 -2.400 -6.350 -2.651 551 HB3 LEU 75 1HB LEU 75 -2.630 -4.637 -2.905 552 HG LEU 75 HG LEU 75 -3.923 -6.288 -0.734 553 HD11 LEU 75 1HD1 LEU 75 -1.803 -4.145 -0.558 554 HD12 LEU 75 2HD1 LEU 75 -1.511 -5.876 -0.433 555 HD13 LEU 75 3HD1 LEU 75 -2.506 -5.064 0.776 556 HD21 LEU 75 3HD2 LEU 75 -4.630 -4.072 0.126 557 HD22 LEU 75 1HD2 LEU 75 -5.398 -4.555 -1.399 558 HD23 LEU 75 2HD2 LEU 75 -4.102 -3.372 -1.419 559 H ALA 76 H ALA 76 -3.100 -4.030 -4.676 560 HA ALA 76 HA ALA 76 -2.590 -5.557 -7.119 561 HB1 ALA 76 1HB ALA 76 -4.365 -3.908 -7.546 562 HB2 ALA 76 2HB ALA 76 -2.888 -3.551 -8.442 563 HB3 ALA 76 3HB ALA 76 -3.281 -2.626 -6.993 564 H ALA 77 H ALA 77 -1.714 -2.840 -5.032 565 HA ALA 77 HA ALA 77 1.026 -3.716 -5.407 566 HB1 ALA 77 1HB ALA 77 0.139 -0.855 -5.475 567 HB2 ALA 77 2HB ALA 77 0.658 -1.816 -6.859 568 HB3 ALA 77 3HB ALA 77 1.798 -1.451 -5.571 569 H VAL 78 H VAL 78 2.392 -3.151 -3.754 570 HA VAL 78 HA VAL 78 1.258 -2.074 -1.294 571 HB VAL 78 HB VAL 78 1.136 -4.522 -1.096 572 HG11 VAL 78 1HG1 VAL 78 4.030 -4.337 -1.830 573 HG12 VAL 78 2HG1 VAL 78 2.773 -5.282 -2.617 574 HG13 VAL 78 3HG1 VAL 78 3.391 -5.782 -1.030 575 HG21 VAL 78 3HG2 VAL 78 3.349 -3.354 0.590 576 HG22 VAL 78 1HG2 VAL 78 2.447 -4.820 0.975 577 HG23 VAL 78 2HG2 VAL 78 1.623 -3.259 0.934 578 H GLN 79 H GLN 79 2.883 -0.895 -0.045 579 HA GLN 79 HA GLN 79 5.145 -0.166 -1.658 580 HB2 GLN 79 2HB GLN 79 3.847 1.083 0.700 581 HB3 GLN 79 1HB GLN 79 4.979 1.809 -0.388 582 HG2 GLN 79 2HG GLN 79 2.153 0.975 -1.025 583 HG3 GLN 79 1HG GLN 79 2.781 2.617 -0.896 584 HE21 GLN 79 1HE2 GLN 79 2.813 -0.318 -2.816 585 HE22 GLN 79 2HE2 GLN 79 3.296 0.417 -4.272 586 H LEU 80 H LEU 80 7.000 -1.207 -0.936 587 HA LEU 80 HA LEU 80 7.381 -1.430 1.940 588 HB2 LEU 80 2HB LEU 80 8.468 -3.300 -0.186 589 HB3 LEU 80 1HB LEU 80 9.048 -3.241 1.464 590 HG LEU 80 HG LEU 80 7.697 -5.109 1.319 591 HD11 LEU 80 1HD1 LEU 80 6.057 -2.971 2.628 592 HD12 LEU 80 2HD1 LEU 80 7.366 -3.910 3.348 593 HD13 LEU 80 3HD1 LEU 80 5.872 -4.708 2.867 594 HD21 LEU 80 3HD2 LEU 80 5.361 -5.094 0.531 595 HD22 LEU 80 1HD2 LEU 80 6.518 -4.679 -0.735 596 HD23 LEU 80 2HD2 LEU 80 5.572 -3.411 0.041 597 H HIS 81 H HIS 81 9.262 -0.693 2.699 598 HA HIS 81 HA HIS 81 11.469 0.235 1.260 599 HB2 HIS 81 2HB HIS 81 11.008 2.650 0.970 600 HB3 HIS 81 1HB HIS 81 9.863 1.702 0.036 601 HD1 HIS 81 1HD HIS 81 7.340 1.455 1.334 602 HD2 HIS 81 2HD HIS 81 9.869 4.527 2.573 603 HE1 HIS 81 1HE HIS 81 5.924 3.038 2.661 604 H GLY 82 H GLY 82 9.256 0.585 3.839 605 HA2 GLY 82 2HA GLY 82 11.013 2.485 5.145 606 HA3 GLY 82 1HA GLY 82 9.424 2.052 5.685 607 H ASN 83 H ASN 83 9.802 -0.732 6.268 608 HA ASN 83 HA ASN 83 10.877 0.108 8.798 609 HB2 ASN 83 2HB ASN 83 8.688 -0.816 8.815 610 HB3 ASN 83 1HB ASN 83 9.278 -2.335 8.160 611 HD21 ASN 83 1HD2 ASN 83 8.519 -3.499 9.893 612 HD22 ASN 83 2HD2 ASN 83 9.261 -3.399 11.462 613 H GLU 84 H GLU 84 11.443 -3.088 7.143 614 HA GLU 84 HA GLU 84 13.262 -3.369 9.369 615 HB2 GLU 84 2HB GLU 84 11.548 -5.068 8.988 616 HB3 GLU 84 1HB GLU 84 12.423 -5.580 7.552 617 HG2 GLU 84 2HG GLU 84 14.358 -6.122 8.899 618 HG3 GLU 84 1HG GLU 84 13.518 -5.576 10.348 619 H GLU 85 H GLU 85 13.768 -3.759 5.843 620 HA GLU 85 HA GLU 85 16.597 -3.347 6.158 621 HB2 GLU 85 2HB GLU 85 15.830 -5.815 6.951 622 HB3 GLU 85 1HB GLU 85 16.015 -6.103 5.231 623 HG2 GLU 85 2HG GLU 85 18.159 -4.911 6.958 624 HG3 GLU 85 1HG GLU 85 17.999 -6.633 6.662 625 H GLN 86 H GLN 86 17.702 -3.989 3.899 626 HA GLN 86 HA GLN 86 16.246 -2.693 1.835 627 HB2 GLN 86 2HB GLN 86 18.858 -4.178 1.894 628 HB3 GLN 86 1HB GLN 86 18.319 -3.066 0.654 629 HG2 GLN 86 2HG GLN 86 18.572 -1.203 2.087 630 HG3 GLN 86 1HG GLN 86 18.700 -2.238 3.511 631 HE21 GLN 86 1HE2 GLN 86 20.545 -3.419 3.816 632 HE22 GLN 86 2HE2 GLN 86 22.067 -2.993 3.127 633 H LEU 87 H LEU 87 17.606 -5.829 2.548 634 HA LEU 87 HA LEU 87 16.853 -6.945 0.088 635 HB2 LEU 87 2HB LEU 87 17.896 -8.308 2.532 636 HB3 LEU 87 1HB LEU 87 17.808 -9.005 0.922 637 HG LEU 87 HG LEU 87 19.289 -6.571 1.666 638 HD11 LEU 87 1HD1 LEU 87 20.311 -9.383 1.138 639 HD12 LEU 87 2HD1 LEU 87 20.284 -8.524 2.687 640 HD13 LEU 87 3HD1 LEU 87 21.336 -7.960 1.395 641 HD21 LEU 87 3HD2 LEU 87 18.704 -6.426 -0.577 642 HD22 LEU 87 1HD2 LEU 87 19.199 -8.096 -0.920 643 HD23 LEU 87 2HD2 LEU 87 20.407 -6.862 -0.530 644 H TYR 88 H TYR 88 15.325 -6.509 3.018 645 HA TYR 88 HA TYR 88 13.576 -8.684 3.178 646 HB2 TYR 88 2HB TYR 88 13.692 -7.194 5.039 647 HB3 TYR 88 1HB TYR 88 13.310 -5.801 4.042 648 HD1 TYR 88 2HD TYR 88 11.710 -9.119 4.785 649 HD2 TYR 88 1HD TYR 88 11.262 -4.912 4.434 650 HE1 TYR 88 2HE TYR 88 9.326 -9.337 5.350 651 HE2 TYR 88 1HE TYR 88 8.871 -5.112 5.029 652 HH TYR 88 HH TYR 88 7.580 -7.891 6.356 653 H ILE 89 H ILE 89 13.511 -5.786 1.241 654 HA ILE 89 HA ILE 89 10.873 -6.069 0.250 655 HB ILE 89 HB ILE 89 13.304 -4.532 -0.682 656 HG12 ILE 89 2HG1 ILE 89 11.869 -2.527 -0.219 657 HG13 ILE 89 1HG1 ILE 89 10.619 -3.617 0.344 658 HG21 ILE 89 1HG2 ILE 89 12.107 -5.151 -2.718 659 HG22 ILE 89 2HG2 ILE 89 11.913 -3.420 -2.419 660 HG23 ILE 89 3HG2 ILE 89 10.601 -4.538 -2.042 661 HD11 ILE 89 3HD1 ILE 89 12.051 -4.321 2.170 662 HD12 ILE 89 1HD1 ILE 89 11.836 -2.571 2.175 663 HD13 ILE 89 2HD1 ILE 89 13.339 -3.278 1.572 664 H ASP 90 H ASP 90 13.956 -7.305 -0.650 665 HA ASP 90 HA ASP 90 13.325 -8.344 -3.219 666 HB2 ASP 90 2HB ASP 90 15.600 -7.847 -2.330 667 HB3 ASP 90 1HB ASP 90 15.428 -9.200 -1.247 668 H THR 91 H THR 91 12.709 -9.268 -0.086 669 HA THR 91 HA THR 91 12.476 -12.113 -0.492 670 HB THR 91 HB THR 91 11.945 -10.306 1.874 671 HG1 THR 91 1HG THR 91 14.172 -11.164 0.763 672 HG21 THR 91 3HG2 THR 91 12.146 -13.312 1.726 673 HG22 THR 91 1HG2 THR 91 10.703 -12.315 1.938 674 HG23 THR 91 2HG2 THR 91 11.947 -12.338 3.205 675 H LEU 92 H LEU 92 10.423 -9.356 0.340 676 HA LEU 92 HA LEU 92 7.999 -10.406 0.342 677 HB2 LEU 92 2HB LEU 92 8.825 -7.782 -0.773 678 HB3 LEU 92 1HB LEU 92 7.180 -8.306 -1.045 679 HG LEU 92 HG LEU 92 7.124 -6.894 0.816 680 HD11 LEU 92 1HD1 LEU 92 6.333 -8.300 2.572 681 HD12 LEU 92 2HD1 LEU 92 7.238 -9.634 1.888 682 HD13 LEU 92 3HD1 LEU 92 5.842 -8.985 1.004 683 HD21 LEU 92 3HD2 LEU 92 9.465 -6.872 1.377 684 HD22 LEU 92 1HD2 LEU 92 9.328 -8.544 1.925 685 HD23 LEU 92 2HD2 LEU 92 8.485 -7.260 2.799 686 H ARG 93 H ARG 93 9.634 -9.518 -2.660 687 HA ARG 93 HA ARG 93 7.579 -10.183 -4.496 688 HB2 ARG 93 2HB ARG 93 10.537 -10.548 -4.991 689 HB3 ARG 93 1HB ARG 93 9.315 -10.804 -6.223 690 HG2 ARG 93 2HG ARG 93 10.076 -8.716 -6.675 691 HG3 ARG 93 1HG ARG 93 8.646 -8.379 -5.696 692 HD2 ARG 93 2HD ARG 93 10.202 -7.004 -4.707 693 HD3 ARG 93 1HD ARG 93 10.302 -8.431 -3.742 694 HE ARG 93 HE ARG 93 12.238 -9.113 -5.121 695 HH11 ARG 93 1HH1 ARG 93 11.413 -5.690 -4.828 696 HH12 ARG 93 2HH1 ARG 93 13.019 -5.142 -4.948 697 HH21 ARG 93 1HH2 ARG 93 14.491 -8.342 -5.222 698 HH22 ARG 93 2HH2 ARG 93 14.785 -6.682 -5.184 699 H GLU 94 H GLU 94 9.590 -12.200 -2.756 700 HA GLU 94 HA GLU 94 9.270 -14.549 -4.431 701 HB2 GLU 94 2HB GLU 94 10.256 -14.477 -1.595 702 HB3 GLU 94 1HB GLU 94 10.542 -15.738 -2.789 703 HG2 GLU 94 2HG GLU 94 11.782 -14.089 -4.154 704 HG3 GLU 94 1HG GLU 94 11.498 -12.925 -2.860 705 H ALA 95 H ALA 95 7.727 -13.263 -1.653 706 HA ALA 95 HA ALA 95 6.052 -15.683 -1.447 707 HB1 ALA 95 1HB ALA 95 6.237 -13.454 0.564 708 HB2 ALA 95 2HB ALA 95 7.183 -14.940 0.612 709 HB3 ALA 95 3HB ALA 95 5.429 -15.008 0.776 710 H LEU 96 H LEU 96 5.943 -12.730 -2.730 711 HA LEU 96 HA LEU 96 3.028 -12.176 -2.446 712 HB2 LEU 96 2HB LEU 96 4.930 -10.460 -2.236 713 HB3 LEU 96 1HB LEU 96 5.119 -10.659 -3.960 714 HG LEU 96 HG LEU 96 2.730 -9.956 -4.214 715 HD11 LEU 96 1HD1 LEU 96 3.075 -9.231 -1.304 716 HD12 LEU 96 2HD1 LEU 96 1.968 -10.445 -1.939 717 HD13 LEU 96 3HD1 LEU 96 1.730 -8.744 -2.324 718 HD21 LEU 96 3HD2 LEU 96 4.594 -8.451 -4.616 719 HD22 LEU 96 1HD2 LEU 96 4.632 -8.022 -2.908 720 HD23 LEU 96 2HD2 LEU 96 3.238 -7.590 -3.895 721 HA PRO 97 HA PRO 97 2.321 -14.252 -6.315 722 HB2 PRO 97 2HB PRO 97 -0.167 -13.178 -6.698 723 HB3 PRO 97 1HB PRO 97 0.087 -14.664 -5.816 724 HG2 PRO 97 2HG PRO 97 -0.354 -11.894 -4.883 725 HG3 PRO 97 1HG PRO 97 -0.887 -13.412 -4.121 726 HD2 PRO 97 2HD PRO 97 1.161 -11.935 -3.164 727 HD3 PRO 97 1HD PRO 97 1.156 -13.706 -3.042 728 H ALA 98 H ALA 98 1.710 -13.575 -8.413 729 HA ALA 98 HA ALA 98 3.099 -11.216 -9.233 730 HB1 ALA 98 1HB ALA 98 1.390 -13.125 -10.788 731 HB2 ALA 98 2HB ALA 98 3.128 -13.288 -10.528 732 HB3 ALA 98 3HB ALA 98 2.494 -11.944 -11.495 733 H HIS 99 H HIS 99 0.045 -11.666 -8.105 734 HA HIS 99 HA HIS 99 -1.381 -9.848 -9.834 735 HB2 HIS 99 2HB HIS 99 -2.323 -10.549 -7.073 736 HB3 HIS 99 1HB HIS 99 -3.270 -10.248 -8.518 737 HD1 HIS 99 1HD HIS 99 -2.356 -12.426 -10.437 738 HD2 HIS 99 2HD HIS 99 -2.665 -13.001 -6.345 739 HE1 HIS 99 1HE HIS 99 -2.515 -14.924 -10.052 740 H VAL 100 H VAL 100 0.536 -9.689 -6.767 741 HA VAL 100 HA VAL 100 -0.386 -7.019 -6.497 742 HB VAL 100 HB VAL 100 0.958 -8.898 -4.559 743 HG11 VAL 100 1HG1 VAL 100 0.315 -7.235 -2.911 744 HG12 VAL 100 2HG1 VAL 100 -0.360 -6.249 -4.238 745 HG13 VAL 100 3HG1 VAL 100 1.376 -6.613 -4.191 746 HG21 VAL 100 3HG2 VAL 100 -1.267 -9.675 -5.187 747 HG22 VAL 100 1HG2 VAL 100 -1.941 -8.106 -4.759 748 HG23 VAL 100 2HG2 VAL 100 -1.242 -9.148 -3.510 749 H ALA 101 H ALA 101 1.077 -5.493 -6.639 750 HA ALA 101 HA ALA 101 3.808 -6.247 -7.374 751 HB1 ALA 101 1HB ALA 101 2.587 -5.029 -9.095 752 HB2 ALA 101 2HB ALA 101 3.917 -4.056 -8.471 753 HB3 ALA 101 3HB ALA 101 2.262 -3.721 -7.957 754 H ILE 102 H ILE 102 5.384 -4.474 -6.764 755 HA ILE 102 HA ILE 102 4.829 -3.543 -4.050 756 HB ILE 102 HB ILE 102 7.430 -4.592 -5.166 757 HG12 ILE 102 2HG1 ILE 102 5.799 -5.643 -2.828 758 HG13 ILE 102 1HG1 ILE 102 5.812 -6.361 -4.434 759 HG21 ILE 102 1HG2 ILE 102 8.272 -4.084 -2.802 760 HG22 ILE 102 2HG2 ILE 102 6.760 -3.093 -2.680 761 HG23 ILE 102 3HG2 ILE 102 7.925 -2.774 -3.945 762 HD11 ILE 102 3HD1 ILE 102 8.232 -6.781 -4.185 763 HD12 ILE 102 1HD1 ILE 102 7.293 -7.625 -2.968 764 HD13 ILE 102 2HD1 ILE 102 8.155 -6.157 -2.546 765 H TRP 103 H TRP 103 5.132 -1.439 -3.896 766 HA TRP 103 HA TRP 103 6.812 -0.226 -6.015 767 HB2 TRP 103 2HB TRP 103 4.644 1.196 -4.537 768 HB3 TRP 103 1HB TRP 103 5.624 1.846 -5.800 769 HD1 TRP 103 HD TRP 103 5.055 -1.136 -7.480 770 HE1 TRP 103 1HE TRP 103 2.898 -1.176 -8.890 771 HE3 TRP 103 3HE TRP 103 2.645 2.715 -5.290 772 HZ2 TRP 103 2HZ TRP 103 0.483 0.257 -9.040 773 HZ3 TRP 103 3HZ TRP 103 0.379 3.358 -6.120 774 HH2 TRP 103 HH TRP 103 -0.650 2.141 -7.968 775 H LYS 104 H LYS 104 7.906 1.680 -5.432 776 HA LYS 104 HA LYS 104 8.754 1.610 -2.647 777 HB2 LYS 104 2HB LYS 104 10.547 1.245 -4.319 778 HB3 LYS 104 1HB LYS 104 10.128 2.749 -5.108 779 HG2 LYS 104 2HG LYS 104 11.067 2.704 -2.252 780 HG3 LYS 104 1HG LYS 104 12.213 2.658 -3.592 781 HD2 LYS 104 2HD LYS 104 11.251 4.766 -4.450 782 HD3 LYS 104 1HD LYS 104 10.145 4.799 -3.082 783 HE2 LYS 104 2HE LYS 104 13.145 4.816 -2.853 784 HE3 LYS 104 1HE LYS 104 12.135 6.258 -2.822 785 HZ1 LYS 104 3HZ LYS 104 11.081 5.460 -0.809 786 HZ2 LYS 104 1HZ LYS 104 12.745 5.525 -0.626 787 HZ3 LYS 104 2HZ LYS 104 12.023 4.038 -0.819 788 H ALA 105 H ALA 105 7.659 2.962 -1.514 789 HA ALA 105 HA ALA 105 6.505 5.342 -2.596 790 HB1 ALA 105 1HB ALA 105 5.471 4.207 -0.674 791 HB2 ALA 105 2HB ALA 105 5.915 5.864 -0.270 792 HB3 ALA 105 3HB ALA 105 6.915 4.522 0.288 793 H LEU 106 H LEU 106 7.596 6.969 -3.137 794 HA LEU 106 HA LEU 106 10.244 7.459 -2.143 795 HB2 LEU 106 2HB LEU 106 9.597 7.662 -4.543 796 HB3 LEU 106 1HB LEU 106 8.492 8.931 -4.127 797 HG LEU 106 HG LEU 106 10.461 10.298 -3.327 798 HD11 LEU 106 1HD1 LEU 106 12.045 8.495 -2.988 799 HD12 LEU 106 2HD1 LEU 106 12.669 9.667 -4.157 800 HD13 LEU 106 3HD1 LEU 106 11.999 8.132 -4.714 801 HD21 LEU 106 3HD2 LEU 106 11.153 10.943 -5.585 802 HD22 LEU 106 1HD2 LEU 106 9.410 10.696 -5.490 803 HD23 LEU 106 2HD2 LEU 106 10.436 9.465 -6.229 804 H SER 107 H SER 107 9.982 8.063 -0.053 805 HA SER 107 HA SER 107 7.992 9.806 0.882 806 HB2 SER 107 2HB SER 107 10.635 9.039 2.134 807 HB3 SER 107 1HB SER 107 9.239 9.711 2.976 808 HG SER 107 HG SER 107 9.788 7.208 2.542 809 H VAL 108 H VAL 108 8.143 11.973 1.357 810 HA VAL 108 HA VAL 108 9.997 13.383 -0.272 811 HB VAL 108 HB VAL 108 8.844 15.466 0.580 812 HG11 VAL 108 1HG1 VAL 108 7.092 13.302 -0.589 813 HG12 VAL 108 2HG1 VAL 108 8.148 14.386 -1.493 814 HG13 VAL 108 3HG1 VAL 108 6.748 15.029 -0.634 815 HG21 VAL 108 3HG2 VAL 108 6.751 15.218 1.799 816 HG22 VAL 108 1HG2 VAL 108 8.097 14.585 2.749 817 HG23 VAL 108 2HG2 VAL 108 7.000 13.478 1.909 818 H GLY 109 H GLY 109 11.826 14.232 0.238 819 HA2 GLY 109 2HA GLY 109 12.525 15.063 2.876 820 HA3 GLY 109 1HA GLY 109 13.291 13.551 2.397 821 H GLU 110 H GLU 110 14.969 15.500 2.860 822 HA GLU 110 HA GLU 110 15.415 16.866 0.340 823 HB2 GLU 110 2HB GLU 110 16.690 17.275 3.027 824 HB3 GLU 110 1HB GLU 110 17.244 18.077 1.564 825 HG2 GLU 110 2HG GLU 110 14.512 18.317 2.793 826 HG3 GLU 110 1HG GLU 110 15.781 19.544 2.807 827 H THR 111 H THR 111 16.956 14.431 2.352 828 HA THR 111 HA THR 111 19.082 14.335 0.429 829 HB THR 111 HB THR 111 19.745 13.880 2.749 830 HG1 THR 111 1HG THR 111 20.583 12.592 0.827 831 HG21 THR 111 3HG2 THR 111 17.710 12.912 3.653 832 HG22 THR 111 1HG2 THR 111 19.054 11.807 3.919 833 HG23 THR 111 2HG2 THR 111 17.894 11.484 2.629 834 H LEU 112 H LEU 112 19.036 13.200 -1.357 835 HA LEU 112 HA LEU 112 16.909 11.205 -1.604 836 HB2 LEU 112 2HB LEU 112 17.858 13.171 -3.673 837 HB3 LEU 112 1HB LEU 112 16.788 11.827 -4.016 838 HG LEU 112 HG LEU 112 16.175 14.150 -2.187 839 HD11 LEU 112 1HD1 LEU 112 16.191 14.772 -4.533 840 HD12 LEU 112 2HD1 LEU 112 14.543 14.757 -3.907 841 HD13 LEU 112 3HD1 LEU 112 15.118 13.427 -4.913 842 HD21 LEU 112 3HD2 LEU 112 14.457 11.813 -3.036 843 HD22 LEU 112 1HD2 LEU 112 13.906 13.200 -2.095 844 HD23 LEU 112 2HD2 LEU 112 15.100 12.083 -1.422 845 HA PRO 113 HA PRO 113 20.511 8.731 -2.664 846 HB2 PRO 113 2HB PRO 113 18.752 6.489 -2.076 847 HB3 PRO 113 1HB PRO 113 20.215 6.976 -1.226 848 HG2 PRO 113 2HG PRO 113 17.736 7.169 -0.119 849 HG3 PRO 113 1HG PRO 113 19.060 8.276 0.287 850 HD2 PRO 113 2HD PRO 113 16.750 8.694 -1.574 851 HD3 PRO 113 1HD PRO 113 17.476 9.805 -0.393 852 H ALA 114 H ALA 114 20.869 7.664 -4.602 853 HA ALA 114 HA ALA 114 18.881 7.863 -6.626 854 HB1 ALA 114 1HB ALA 114 20.482 6.710 -8.071 855 HB2 ALA 114 2HB ALA 114 21.460 6.292 -6.671 856 HB3 ALA 114 3HB ALA 114 21.280 7.985 -7.148 857 H ARG 115 H ARG 115 20.226 5.170 -4.804 858 HA ARG 115 HA ARG 115 17.817 3.705 -5.515 859 HB2 ARG 115 2HB ARG 115 18.951 1.606 -5.610 860 HB3 ARG 115 1HB ARG 115 19.792 2.706 -6.681 861 HG2 ARG 115 2HG ARG 115 21.564 2.972 -5.057 862 HG3 ARG 115 1HG ARG 115 20.685 1.962 -3.907 863 HD2 ARG 115 2HD ARG 115 20.758 0.119 -5.590 864 HD3 ARG 115 1HD ARG 115 21.817 1.129 -6.570 865 HE ARG 115 HE ARG 115 23.089 1.126 -4.254 866 HH11 ARG 115 1HH1 ARG 115 21.726 -1.572 -6.149 867 HH12 ARG 115 2HH1 ARG 115 22.821 -2.713 -5.569 868 HH21 ARG 115 1HH2 ARG 115 24.616 -0.510 -3.462 869 HH22 ARG 115 2HH2 ARG 115 24.469 -2.116 -4.006 870 H GLU 116 H GLU 116 16.901 2.584 -3.931 871 HA GLU 116 HA GLU 116 18.107 2.708 -1.263 872 HB2 GLU 116 2HB GLU 116 15.307 3.304 -2.095 873 HB3 GLU 116 1HB GLU 116 15.735 2.994 -0.418 874 HG2 GLU 116 2HG GLU 116 17.115 4.980 -0.387 875 HG3 GLU 116 1HG GLU 116 16.825 5.239 -2.110 876 H PHE 117 H PHE 117 15.156 1.497 -2.746 877 HA PHE 117 HA PHE 117 15.853 -1.214 -1.964 878 HB2 PHE 117 2HB PHE 117 13.102 0.100 -1.839 879 HB3 PHE 117 1HB PHE 117 13.481 -1.564 -1.369 880 HD1 PHE 117 1HD PHE 117 14.800 -2.013 0.633 881 HD2 PHE 117 2HD PHE 117 13.681 1.943 -0.401 882 HE1 PHE 117 1HE PHE 117 15.468 -1.225 2.895 883 HE2 PHE 117 2HE PHE 117 14.341 2.727 1.824 884 HZ PHE 117 HZ PHE 117 15.241 1.136 3.475 885 H GLN 118 H GLN 118 16.006 -2.374 -3.697 886 HA GLN 118 HA GLN 118 15.247 -1.080 -6.207 887 HB2 GLN 118 2HB GLN 118 16.976 -2.421 -7.235 888 HB3 GLN 118 1HB GLN 118 17.606 -1.508 -5.870 889 HG2 GLN 118 2HG GLN 118 17.360 -3.596 -4.493 890 HG3 GLN 118 1HG GLN 118 16.980 -4.443 -5.988 891 HE21 GLN 118 1HE2 GLN 118 18.597 -4.755 -7.516 892 HE22 GLN 118 2HE2 GLN 118 20.259 -4.511 -7.134 893 H HIS 119 H HIS 119 14.884 -2.530 -8.056 894 HA HIS 119 HA HIS 119 13.674 -3.969 -9.225 895 HB2 HIS 119 2HB HIS 119 15.249 -5.577 -8.051 896 HB3 HIS 119 1HB HIS 119 13.993 -5.848 -6.857 897 HD1 HIS 119 1HD HIS 119 14.861 -6.607 -10.460 898 HD2 HIS 119 2HD HIS 119 12.007 -7.620 -7.615 899 HE1 HIS 119 1HE HIS 119 13.627 -8.584 -11.382 900 H VAL 120 H VAL 120 12.414 -2.079 -7.523 901 HA VAL 120 HA VAL 120 9.913 -3.323 -6.719 902 HB VAL 120 HB VAL 120 9.165 -1.015 -6.197 903 HG11 VAL 120 1HG1 VAL 120 11.868 -1.709 -5.038 904 HG12 VAL 120 2HG1 VAL 120 10.329 -2.381 -4.518 905 HG13 VAL 120 3HG1 VAL 120 10.657 -0.676 -4.273 906 HG21 VAL 120 3HG2 VAL 120 11.955 -0.216 -7.061 907 HG22 VAL 120 1HG2 VAL 120 10.762 0.855 -6.328 908 HG23 VAL 120 2HG2 VAL 120 10.471 0.168 -7.925 909 H ASP 121 H ASP 121 7.915 -2.671 -7.595 910 HA ASP 121 HA ASP 121 8.084 -3.076 -10.450 911 HB2 ASP 121 2HB ASP 121 6.339 -4.173 -9.041 912 HB3 ASP 121 1HB ASP 121 5.621 -2.599 -8.759 913 H LYS 122 H LYS 122 7.115 -0.486 -8.336 914 HA LYS 122 HA LYS 122 7.470 1.474 -10.443 915 HB2 LYS 122 2HB LYS 122 4.787 1.172 -9.035 916 HB3 LYS 122 1HB LYS 122 5.263 2.619 -9.886 917 HG2 LYS 122 2HG LYS 122 5.339 1.391 -11.976 918 HG3 LYS 122 1HG LYS 122 4.965 -0.108 -11.122 919 HD2 LYS 122 2HD LYS 122 2.819 0.833 -10.412 920 HD3 LYS 122 1HD LYS 122 3.192 2.334 -11.259 921 HE2 LYS 122 2HE LYS 122 3.205 1.188 -13.381 922 HE3 LYS 122 1HE LYS 122 2.993 -0.366 -12.577 923 HZ1 LYS 122 3HZ LYS 122 0.824 0.313 -11.846 924 HZ2 LYS 122 1HZ LYS 122 0.915 0.508 -13.507 925 HZ3 LYS 122 2HZ LYS 122 0.999 1.843 -12.494 926 H TYR 123 H TYR 123 7.430 3.682 -9.542 927 HA TYR 123 HA TYR 123 7.765 3.793 -6.604 928 HB2 TYR 123 2HB TYR 123 9.629 5.175 -6.765 929 HB3 TYR 123 1HB TYR 123 9.941 4.063 -8.086 930 HD1 TYR 123 1HD TYR 123 9.324 4.836 -10.445 931 HD2 TYR 123 2HD TYR 123 9.482 7.427 -7.095 932 HE1 TYR 123 1HE TYR 123 9.464 6.745 -11.947 933 HE2 TYR 123 2HE TYR 123 9.619 9.340 -8.532 934 HH TYR 123 HH TYR 123 8.953 9.160 -11.885 935 H VAL 124 H VAL 124 6.720 5.310 -5.626 936 HA VAL 124 HA VAL 124 5.286 7.287 -7.232 937 HB VAL 124 HB VAL 124 3.217 6.954 -5.877 938 HG11 VAL 124 1HG1 VAL 124 3.302 5.935 -8.075 939 HG12 VAL 124 2HG1 VAL 124 2.416 4.896 -6.962 940 HG13 VAL 124 3HG1 VAL 124 4.080 4.503 -7.402 941 HG21 VAL 124 3HG2 VAL 124 4.220 5.893 -3.923 942 HG22 VAL 124 1HG2 VAL 124 4.593 4.461 -4.881 943 HG23 VAL 124 2HG2 VAL 124 2.914 4.903 -4.576 944 H LEU 125 H LEU 125 4.223 8.873 -5.626 945 HA LEU 125 HA LEU 125 6.360 9.779 -3.895 946 HB2 LEU 125 2HB LEU 125 3.609 10.929 -4.368 947 HB3 LEU 125 1HB LEU 125 4.919 11.723 -3.522 948 HG LEU 125 HG LEU 125 4.906 11.022 -6.459 949 HD11 LEU 125 1HD1 LEU 125 4.607 13.680 -5.071 950 HD12 LEU 125 2HD1 LEU 125 3.326 12.789 -5.886 951 HD13 LEU 125 3HD1 LEU 125 4.682 13.419 -6.816 952 HD21 LEU 125 3HD2 LEU 125 6.891 12.593 -4.806 953 HD22 LEU 125 1HD2 LEU 125 6.938 12.393 -6.558 954 HD23 LEU 125 2HD2 LEU 125 7.158 10.996 -5.507 955 H ASP 126 H ASP 126 5.575 10.701 -1.694 956 HA ASP 126 HA ASP 126 4.498 8.649 -0.057 957 HB2 ASP 126 2HB ASP 126 6.080 10.435 0.748 958 HB3 ASP 126 1HB ASP 126 4.798 11.613 0.559 959 H ASN 127 H ASN 127 2.551 8.289 -1.345 960 HA ASN 127 HA ASN 127 0.447 10.249 -1.401 961 HB2 ASN 127 2HB ASN 127 1.122 8.589 -3.222 962 HB3 ASN 127 1HB ASN 127 0.381 7.349 -2.225 963 HD21 ASN 127 1HD2 ASN 127 -0.142 10.218 -4.051 964 HD22 ASN 127 2HD2 ASN 127 -1.812 9.973 -4.347 965 H GLY 128 H GLY 128 1.615 8.133 0.797 966 HA2 GLY 128 2HA GLY 128 -0.375 8.453 2.684 967 HA3 GLY 128 1HA GLY 128 -0.504 6.831 1.974 968 H GLN 129 H GLN 129 0.382 7.241 4.673 969 HA GLN 129 HA GLN 129 2.924 5.909 4.417 970 HB2 GLN 129 2HB GLN 129 3.413 8.391 4.295 971 HB3 GLN 129 1HB GLN 129 2.818 8.520 5.936 972 HG2 GLN 129 2HG GLN 129 5.256 8.459 5.834 973 HG3 GLN 129 1HG GLN 129 4.606 7.078 6.717 974 HE21 GLN 129 1HE2 GLN 129 5.953 8.115 3.656 975 HE22 GLN 129 2HE2 GLN 129 6.527 6.579 3.143 976 H GLY 130 H GLY 130 3.071 4.439 5.991 977 HA2 GLY 130 2HA GLY 130 1.714 4.920 8.521 978 HA3 GLY 130 1HA GLY 130 1.274 3.488 7.599 979 H GLY 131 H GLY 131 3.164 4.528 10.064 980 HA2 GLY 131 2HA GLY 131 4.411 2.168 10.575 981 HA3 GLY 131 1HA GLY 131 5.551 3.054 9.565 982 H ALA 132 H ALA 132 6.634 2.664 11.839 983 HA ALA 132 HA ALA 132 5.836 4.591 13.816 984 HB1 ALA 132 1HB ALA 132 6.722 2.397 14.495 985 HB2 ALA 132 2HB ALA 132 7.698 3.723 15.122 986 HB3 ALA 132 3HB ALA 132 8.264 2.793 13.733 987 H GLY 133 H GLY 133 7.176 6.259 14.547 988 HA2 GLY 133 2HA GLY 133 9.535 7.214 13.694 989 HA3 GLY 133 1HA GLY 133 8.440 7.689 12.394 990 H SER 134 H SER 134 6.186 8.299 13.574 991 HA SER 134 HA SER 134 6.602 9.977 15.860 992 HB2 SER 134 2HB SER 134 5.584 11.065 13.208 993 HB3 SER 134 1HB SER 134 5.613 11.954 14.733 994 HG SER 134 HG SER 134 8.020 10.922 14.278
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