NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606433 | 5krw | 30134 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -1.604 22.756 20.970 2 H2 MET 1 2H MET 1 -0.231 22.677 21.941 3 H3 MET 1 3H MET 1 -1.212 21.317 21.755 4 HA MET 1 HA MET 1 0.243 22.633 19.564 5 HB2 MET 1 2HB MET 1 1.819 20.655 19.691 6 HB3 MET 1 1HB MET 1 1.936 21.779 21.033 7 HG2 MET 1 2HG MET 1 0.650 20.223 22.454 8 HG3 MET 1 1HG MET 1 0.532 19.093 21.100 9 HE1 MET 1 1HE MET 1 3.122 17.323 23.505 10 HE2 MET 1 2HE MET 1 1.636 17.098 22.583 11 HE3 MET 1 3HE MET 1 1.669 18.218 23.947 12 H THR 2 H THR 2 -1.492 22.486 18.177 13 HA THR 2 HA THR 2 -3.120 20.187 17.776 14 HB THR 2 HB THR 2 -3.839 21.394 15.626 15 HG1 THR 2 HG1 THR 2 -2.910 23.269 15.099 16 HG21 THR 2 1HG2 THR 2 -5.091 21.722 17.742 17 HG22 THR 2 2HG2 THR 2 -5.047 23.203 16.786 18 HG23 THR 2 3HG2 THR 2 -3.995 23.032 18.193 19 H SER 3 H SER 3 -0.416 21.568 15.886 20 HA SER 3 HA SER 3 -0.392 19.765 13.747 21 HB2 SER 3 2HB SER 3 2.006 21.209 14.968 22 HB3 SER 3 1HB SER 3 1.874 20.607 13.308 23 HG SER 3 HG SER 3 -0.213 22.180 13.768 24 H THR 4 H THR 4 1.239 19.651 16.867 25 HA THR 4 HA THR 4 2.789 17.331 16.410 26 HB THR 4 HB THR 4 1.914 18.528 19.071 27 HG1 THR 4 HG1 THR 4 4.306 19.083 17.618 28 HG21 THR 4 1HG2 THR 4 4.009 17.549 19.945 29 HG22 THR 4 2HG2 THR 4 4.332 16.816 18.372 30 HG23 THR 4 3HG2 THR 4 2.938 16.291 19.318 31 H VAL 5 H VAL 5 -0.448 17.784 17.980 32 HA VAL 5 HA VAL 5 -0.584 15.073 18.905 33 HB VAL 5 HB VAL 5 -1.872 16.890 20.012 34 HG11 VAL 5 1HG1 VAL 5 -2.675 18.153 18.080 35 HG12 VAL 5 2HG1 VAL 5 -4.026 17.672 19.108 36 HG13 VAL 5 3HG1 VAL 5 -3.709 16.807 17.601 37 HG21 VAL 5 1HG2 VAL 5 -2.476 14.541 20.407 38 HG22 VAL 5 2HG2 VAL 5 -3.596 14.584 19.043 39 HG23 VAL 5 3HG2 VAL 5 -3.908 15.573 20.471 40 H GLU 6 H GLU 6 -1.942 16.713 16.021 41 HA GLU 6 HA GLU 6 -3.397 14.467 15.026 42 HB2 GLU 6 2HB GLU 6 -3.564 15.730 12.917 43 HB3 GLU 6 1HB GLU 6 -3.895 16.766 14.299 44 HG2 GLU 6 2HG GLU 6 -1.553 17.642 14.149 45 HG3 GLU 6 1HG GLU 6 -1.329 16.682 12.690 46 H PHE 7 H PHE 7 -0.098 15.644 14.538 47 HA PHE 7 HA PHE 7 0.944 13.819 12.735 48 HB2 PHE 7 2HB PHE 7 2.216 15.703 13.548 49 HB3 PHE 7 1HB PHE 7 2.097 15.160 15.206 50 HD1 PHE 7 HD1 PHE 7 3.839 14.678 11.989 51 HD2 PHE 7 HD2 PHE 7 3.626 13.501 16.094 52 HE1 PHE 7 HE1 PHE 7 6.074 13.664 11.834 53 HE2 PHE 7 HE2 PHE 7 5.856 12.494 15.917 54 HZ PHE 7 HZ PHE 7 7.083 12.583 13.787 55 H ILE 8 H ILE 8 0.668 13.439 16.302 56 HA ILE 8 HA ILE 8 1.748 10.871 16.600 57 HB ILE 8 HB ILE 8 -0.416 12.226 18.285 58 HG12 ILE 8 2HG1 ILE 8 2.596 12.106 18.785 59 HG13 ILE 8 1HG1 ILE 8 1.760 13.492 18.101 60 HG21 ILE 8 1HG2 ILE 8 0.255 10.693 20.120 61 HG22 ILE 8 2HG2 ILE 8 1.337 9.851 19.012 62 HG23 ILE 8 3HG2 ILE 8 -0.404 9.813 18.736 63 HD11 ILE 8 1HD1 ILE 8 1.347 12.362 20.866 64 HD12 ILE 8 2HD1 ILE 8 0.476 13.734 20.174 65 HD13 ILE 8 3HD1 ILE 8 2.214 13.838 20.440 66 H ASN 9 H ASN 9 -1.716 11.786 16.414 67 HA ASN 9 HA ASN 9 -2.789 9.214 16.630 68 HB2 ASN 9 2HB ASN 9 -4.012 11.692 15.355 69 HB3 ASN 9 1HB ASN 9 -4.908 10.203 15.635 70 HD21 ASN 9 1HD2 ASN 9 -3.706 13.082 17.059 71 HD22 ASN 9 2HD2 ASN 9 -4.330 12.813 18.645 72 H ARG 10 H ARG 10 -1.888 11.029 13.703 73 HA ARG 10 HA ARG 10 -3.120 9.146 11.911 74 HB2 ARG 10 2HB ARG 10 -1.195 11.431 11.366 75 HB3 ARG 10 1HB ARG 10 -1.936 10.445 10.105 76 HG2 ARG 10 2HG ARG 10 -4.185 11.169 10.877 77 HG3 ARG 10 1HG ARG 10 -3.422 12.190 12.099 78 HD2 ARG 10 2HD ARG 10 -3.119 12.468 9.093 79 HD3 ARG 10 1HD ARG 10 -4.074 13.514 10.145 80 HE ARG 10 HE ARG 10 -1.164 13.269 10.555 81 HH11 ARG 10 1HH1 ARG 10 -3.907 15.312 9.731 82 HH12 ARG 10 2HH1 ARG 10 -2.992 16.783 9.843 83 HH21 ARG 10 1HH2 ARG 10 0.002 15.206 10.733 84 HH22 ARG 10 2HH2 ARG 10 -0.789 16.714 10.410 85 H TRP 11 H TRP 11 0.288 9.670 12.984 86 HA TRP 11 HA TRP 11 1.401 7.593 11.380 87 HB2 TRP 11 2HB TRP 11 2.366 8.892 13.948 88 HB3 TRP 11 1HB TRP 11 3.249 7.545 13.231 89 HD1 TRP 11 HD1 TRP 11 3.152 11.212 13.141 90 HE1 TRP 11 HE1 TRP 11 4.473 12.118 11.145 91 HE3 TRP 11 HE3 TRP 11 3.674 6.898 10.449 92 HZ2 TRP 11 HZ2 TRP 11 5.615 11.176 8.773 93 HZ3 TRP 11 HZ3 TRP 11 4.901 6.990 8.315 94 HH2 TRP 11 HH2 TRP 11 5.849 9.092 7.498 95 H GLN 12 H GLN 12 -0.103 7.591 14.562 96 HA GLN 12 HA GLN 12 0.263 4.932 15.330 97 HB2 GLN 12 2HB GLN 12 -0.731 6.636 16.820 98 HB3 GLN 12 1HB GLN 12 -2.144 6.755 15.780 99 HG2 GLN 12 2HG GLN 12 -2.616 4.325 16.304 100 HG3 GLN 12 1HG GLN 12 -1.315 4.401 17.495 101 HE21 GLN 12 1HE2 GLN 12 -2.767 3.968 19.195 102 HE22 GLN 12 2HE2 GLN 12 -3.917 5.131 19.750 103 H ARG 13 H ARG 13 -2.286 6.437 13.303 104 HA ARG 13 HA ARG 13 -3.766 4.137 12.694 105 HB2 ARG 13 2HB ARG 13 -3.320 6.608 10.962 106 HB3 ARG 13 1HB ARG 13 -4.534 5.380 10.639 107 HG2 ARG 13 2HG ARG 13 -4.453 7.205 13.061 108 HG3 ARG 13 1HG ARG 13 -5.524 7.368 11.671 109 HD2 ARG 13 2HD ARG 13 -6.598 5.232 12.227 110 HD3 ARG 13 1HD ARG 13 -5.506 5.014 13.597 111 HE ARG 13 HE ARG 13 -7.835 6.728 13.438 112 HH11 ARG 13 1HH1 ARG 13 -4.850 6.140 15.218 113 HH12 ARG 13 2HH1 ARG 13 -5.403 6.956 16.643 114 HH21 ARG 13 1HH2 ARG 13 -8.541 7.765 15.323 115 HH22 ARG 13 2HH2 ARG 13 -7.492 7.875 16.699 116 H ILE 14 H ILE 14 -1.032 5.625 10.945 117 HA ILE 14 HA ILE 14 -0.998 4.051 8.654 118 HB ILE 14 HB ILE 14 1.285 5.501 10.075 119 HG12 ILE 14 2HG1 ILE 14 -0.356 6.333 7.634 120 HG13 ILE 14 1HG1 ILE 14 -0.675 6.881 9.271 121 HG21 ILE 14 1HG2 ILE 14 1.286 4.398 7.240 122 HG22 ILE 14 2HG2 ILE 14 2.270 3.814 8.583 123 HG23 ILE 14 3HG2 ILE 14 2.536 5.432 7.936 124 HD11 ILE 14 1HD1 ILE 14 1.505 7.979 9.329 125 HD12 ILE 14 2HD1 ILE 14 0.492 8.563 8.010 126 HD13 ILE 14 3HD1 ILE 14 1.814 7.445 7.674 127 H ALA 15 H ALA 15 0.728 3.492 11.741 128 HA ALA 15 HA ALA 15 2.109 1.131 10.866 129 HB1 ALA 15 1HB ALA 15 2.954 2.552 12.665 130 HB2 ALA 15 2HB ALA 15 2.754 0.885 13.213 131 HB3 ALA 15 3HB ALA 15 1.578 2.122 13.675 132 H LEU 16 H LEU 16 -0.858 1.671 12.784 133 HA LEU 16 HA LEU 16 -1.369 -1.045 13.441 134 HB2 LEU 16 2HB LEU 16 -3.234 1.346 13.245 135 HB3 LEU 16 1HB LEU 16 -3.737 -0.217 13.867 136 HG LEU 16 HG LEU 16 -1.630 1.597 15.113 137 HD11 LEU 16 1HD1 LEU 16 -4.431 0.909 16.062 138 HD12 LEU 16 2HD1 LEU 16 -3.904 2.459 15.398 139 HD13 LEU 16 3HD1 LEU 16 -3.254 1.895 16.935 140 HD21 LEU 16 1HD2 LEU 16 -1.603 -0.003 16.996 141 HD22 LEU 16 2HD2 LEU 16 -1.036 -0.745 15.503 142 HD23 LEU 16 3HD2 LEU 16 -2.664 -1.088 16.095 143 H LEU 17 H LEU 17 -2.327 0.990 10.736 144 HA LEU 17 HA LEU 17 -4.204 -0.764 9.536 145 HB2 LEU 17 2HB LEU 17 -2.678 1.619 8.398 146 HB3 LEU 17 1HB LEU 17 -3.879 0.725 7.478 147 HG LEU 17 HG LEU 17 -4.452 2.228 10.067 148 HD11 LEU 17 1HD1 LEU 17 -5.143 3.023 7.224 149 HD12 LEU 17 2HD1 LEU 17 -3.908 3.772 8.239 150 HD13 LEU 17 3HD1 LEU 17 -5.606 3.886 8.695 151 HD21 LEU 17 1HD2 LEU 17 -5.949 0.323 9.773 152 HD22 LEU 17 2HD2 LEU 17 -6.364 0.868 8.145 153 HD23 LEU 17 3HD2 LEU 17 -6.815 1.841 9.547 154 H SER 18 H SER 18 -0.784 0.037 8.760 155 HA SER 18 HA SER 18 -0.434 -1.636 6.563 156 HB2 SER 18 2HB SER 18 2.029 -1.537 7.151 157 HB3 SER 18 1HB SER 18 1.237 0.033 7.106 158 HG SER 18 HG SER 18 1.876 0.291 9.060 159 H GLN 19 H GLN 19 0.169 -2.305 10.002 160 HA GLN 19 HA GLN 19 1.069 -4.934 9.858 161 HB2 GLN 19 2HB GLN 19 1.178 -3.567 11.893 162 HB3 GLN 19 1HB GLN 19 -0.577 -3.563 12.027 163 HG2 GLN 19 2HG GLN 19 -0.526 -6.018 12.408 164 HG3 GLN 19 1HG GLN 19 1.234 -5.981 12.320 165 HE21 GLN 19 1HE2 GLN 19 -0.760 -3.506 13.918 166 HE22 GLN 19 2HE2 GLN 19 -0.217 -3.867 15.516 167 H SER 20 H SER 20 -2.288 -3.765 10.250 168 HA SER 20 HA SER 20 -3.388 -6.400 10.466 169 HB2 SER 20 2HB SER 20 -4.740 -3.701 10.154 170 HB3 SER 20 1HB SER 20 -5.590 -5.211 10.474 171 HG SER 20 HG SER 20 -3.945 -5.307 12.331 172 H LEU 21 H LEU 21 -3.229 -4.064 7.763 173 HA LEU 21 HA LEU 21 -4.789 -5.732 6.034 174 HB2 LEU 21 2HB LEU 21 -4.262 -4.163 4.227 175 HB3 LEU 21 1HB LEU 21 -4.895 -3.375 5.652 176 HG LEU 21 HG LEU 21 -2.426 -2.763 6.196 177 HD11 LEU 21 1HD1 LEU 21 -2.073 -3.379 3.266 178 HD12 LEU 21 2HD1 LEU 21 -1.306 -4.219 4.616 179 HD13 LEU 21 3HD1 LEU 21 -0.920 -2.531 4.302 180 HD21 LEU 21 1HD2 LEU 21 -4.083 -1.098 5.521 181 HD22 LEU 21 2HD2 LEU 21 -3.781 -1.458 3.819 182 HD23 LEU 21 3HD2 LEU 21 -2.509 -0.742 4.813 183 H LEU 22 H LEU 22 -1.450 -5.586 6.931 184 HA LEU 22 HA LEU 22 -0.418 -7.244 4.853 185 HB2 LEU 22 2HB LEU 22 1.058 -5.979 6.373 186 HB3 LEU 22 1HB LEU 22 0.492 -6.931 7.738 187 HG LEU 22 HG LEU 22 1.492 -8.982 6.662 188 HD11 LEU 22 1HD1 LEU 22 2.691 -7.021 4.681 189 HD12 LEU 22 2HD1 LEU 22 1.481 -8.258 4.323 190 HD13 LEU 22 3HD1 LEU 22 3.098 -8.733 4.832 191 HD21 LEU 22 1HD2 LEU 22 2.677 -7.748 8.417 192 HD22 LEU 22 2HD2 LEU 22 3.443 -6.730 7.195 193 HD23 LEU 22 3HD2 LEU 22 3.795 -8.458 7.254 194 H GLU 23 H GLU 23 -1.841 -7.917 8.070 195 HA GLU 23 HA GLU 23 -1.781 -10.721 8.069 196 HB2 GLU 23 2HB GLU 23 -4.013 -8.946 9.160 197 HB3 GLU 23 1HB GLU 23 -3.719 -10.622 9.614 198 HG2 GLU 23 2HG GLU 23 -1.530 -9.940 10.595 199 HG3 GLU 23 1HG GLU 23 -1.897 -8.265 10.187 200 H LEU 24 H LEU 24 -4.028 -8.445 6.594 201 HA LEU 24 HA LEU 24 -5.903 -10.358 5.588 202 HB2 LEU 24 2HB LEU 24 -5.432 -7.455 4.800 203 HB3 LEU 24 1HB LEU 24 -6.844 -8.408 4.361 204 HG LEU 24 HG LEU 24 -6.063 -7.754 7.227 205 HD11 LEU 24 1HD1 LEU 24 -7.923 -6.146 7.236 206 HD12 LEU 24 2HD1 LEU 24 -8.157 -6.413 5.507 207 HD13 LEU 24 3HD1 LEU 24 -6.658 -5.696 6.093 208 HD21 LEU 24 1HD2 LEU 24 -8.592 -9.002 6.120 209 HD22 LEU 24 2HD2 LEU 24 -8.314 -8.555 7.805 210 HD23 LEU 24 3HD2 LEU 24 -7.342 -9.820 7.061 211 H ALA 25 H ALA 25 -3.062 -8.750 4.202 212 HA ALA 25 HA ALA 25 -3.409 -9.531 1.490 213 HB1 ALA 25 1HB ALA 25 -0.822 -8.858 2.948 214 HB2 ALA 25 2HB ALA 25 -1.899 -7.695 2.175 215 HB3 ALA 25 3HB ALA 25 -1.054 -8.893 1.194 216 H GLN 26 H GLN 26 -1.570 -11.004 4.184 217 HA GLN 26 HA GLN 26 -0.616 -13.229 2.634 218 HB2 GLN 26 2HB GLN 26 0.240 -14.130 4.738 219 HB3 GLN 26 1HB GLN 26 0.616 -12.418 4.613 220 HG2 GLN 26 2HG GLN 26 -1.198 -11.877 6.163 221 HG3 GLN 26 1HG GLN 26 -1.651 -13.571 6.259 222 HE21 GLN 26 1HE2 GLN 26 1.706 -12.424 6.284 223 HE22 GLN 26 2HE2 GLN 26 2.011 -12.883 7.919 224 H ARG 27 H ARG 27 -3.451 -12.619 4.627 225 HA ARG 27 HA ARG 27 -4.472 -15.300 4.611 226 HB2 ARG 27 2HB ARG 27 -5.423 -12.624 5.504 227 HB3 ARG 27 1HB ARG 27 -6.720 -13.661 4.943 228 HG2 ARG 27 2HG ARG 27 -4.744 -14.411 7.121 229 HG3 ARG 27 1HG ARG 27 -6.369 -13.777 7.388 230 HD2 ARG 27 2HD ARG 27 -5.650 -16.406 6.048 231 HD3 ARG 27 1HD ARG 27 -6.428 -16.189 7.621 232 HE ARG 27 HE ARG 27 -8.016 -14.928 5.664 233 HH11 ARG 27 1HH1 ARG 27 -7.123 -18.218 6.591 234 HH12 ARG 27 2HH1 ARG 27 -8.583 -18.907 5.962 235 HH21 ARG 27 1HH2 ARG 27 -9.896 -15.875 4.815 236 HH22 ARG 27 2HH2 ARG 27 -10.147 -17.588 4.961 237 H GLY 28 H GLY 28 -4.340 -12.836 2.220 238 HA2 GLY 28 2HA GLY 28 -4.969 -12.928 -0.010 239 HA3 GLY 28 1HA GLY 28 -5.871 -14.403 0.301 240 H GLU 29 H GLU 29 -6.663 -12.067 2.574 241 HA GLU 29 HA GLU 29 -9.282 -11.577 1.548 242 HB2 GLU 29 2HB GLU 29 -7.855 -10.085 3.799 243 HB3 GLU 29 1HB GLU 29 -9.588 -10.141 3.503 244 HG2 GLU 29 2HG GLU 29 -7.817 -12.395 4.445 245 HG3 GLU 29 1HG GLU 29 -9.055 -11.554 5.372 246 H TRP 30 H TRP 30 -8.934 -10.612 -0.516 247 HA TRP 30 HA TRP 30 -7.302 -8.266 -0.841 248 HB2 TRP 30 2HB TRP 30 -9.321 -9.412 -2.824 249 HB3 TRP 30 1HB TRP 30 -8.018 -8.280 -3.186 250 HD1 TRP 30 HD1 TRP 30 -8.657 -11.648 -3.943 251 HE1 TRP 30 HE1 TRP 30 -6.566 -13.133 -3.999 252 HE3 TRP 30 HE3 TRP 30 -5.383 -8.629 -1.371 253 HZ2 TRP 30 HZ2 TRP 30 -3.916 -13.060 -3.091 254 HZ3 TRP 30 HZ3 TRP 30 -3.087 -9.431 -1.003 255 HH2 TRP 30 HH2 TRP 30 -2.371 -11.606 -1.848 256 H ASP 31 H ASP 31 -10.763 -8.911 -0.577 257 HA ASP 31 HA ASP 31 -11.871 -6.403 -1.132 258 HB2 ASP 31 2HB ASP 31 -12.798 -8.395 1.003 259 HB3 ASP 31 1HB ASP 31 -13.781 -7.121 0.304 260 H LEU 32 H LEU 32 -10.806 -7.778 1.942 261 HA LEU 32 HA LEU 32 -11.307 -5.494 3.562 262 HB2 LEU 32 2HB LEU 32 -9.582 -7.950 4.073 263 HB3 LEU 32 1HB LEU 32 -10.072 -6.792 5.300 264 HG LEU 32 HG LEU 32 -11.942 -8.627 3.743 265 HD11 LEU 32 1HD1 LEU 32 -11.110 -8.704 6.660 266 HD12 LEU 32 2HD1 LEU 32 -10.617 -9.838 5.401 267 HD13 LEU 32 3HD1 LEU 32 -12.304 -9.757 5.897 268 HD21 LEU 32 1HD2 LEU 32 -13.734 -7.807 5.225 269 HD22 LEU 32 2HD2 LEU 32 -13.072 -6.509 4.235 270 HD23 LEU 32 3HD2 LEU 32 -12.622 -6.636 5.938 271 H LEU 33 H LEU 33 -8.386 -6.799 1.999 272 HA LEU 33 HA LEU 33 -6.403 -5.095 2.970 273 HB2 LEU 33 2HB LEU 33 -5.894 -7.062 1.586 274 HB3 LEU 33 1HB LEU 33 -6.705 -6.343 0.206 275 HG LEU 33 HG LEU 33 -4.923 -4.541 0.169 276 HD11 LEU 33 1HD1 LEU 33 -4.182 -4.637 2.478 277 HD12 LEU 33 2HD1 LEU 33 -2.826 -4.917 1.390 278 HD13 LEU 33 3HD1 LEU 33 -3.564 -6.274 2.246 279 HD21 LEU 33 1HD2 LEU 33 -4.798 -6.463 -1.350 280 HD22 LEU 33 2HD2 LEU 33 -3.893 -7.375 -0.138 281 HD23 LEU 33 3HD2 LEU 33 -3.190 -5.925 -0.860 282 H LEU 34 H LEU 34 -8.629 -4.650 0.249 283 HA LEU 34 HA LEU 34 -7.468 -2.165 -0.653 284 HB2 LEU 34 2HB LEU 34 -10.028 -3.595 -1.463 285 HB3 LEU 34 1HB LEU 34 -9.348 -2.205 -2.301 286 HG LEU 34 HG LEU 34 -7.969 -4.902 -2.016 287 HD11 LEU 34 1HD1 LEU 34 -9.912 -5.122 -3.445 288 HD12 LEU 34 2HD1 LEU 34 -8.434 -5.238 -4.395 289 HD13 LEU 34 3HD1 LEU 34 -9.386 -3.751 -4.426 290 HD21 LEU 34 1HD2 LEU 34 -7.151 -2.496 -3.664 291 HD22 LEU 34 2HD2 LEU 34 -6.353 -4.068 -3.640 292 HD23 LEU 34 3HD2 LEU 34 -6.360 -3.072 -2.193 293 H GLN 35 H GLN 35 -10.140 -3.094 1.442 294 HA GLN 35 HA GLN 35 -11.389 -0.546 1.658 295 HB2 GLN 35 2HB GLN 35 -12.424 -2.668 2.491 296 HB3 GLN 35 1HB GLN 35 -11.209 -2.758 3.760 297 HG2 GLN 35 2HG GLN 35 -13.368 -1.915 4.606 298 HG3 GLN 35 1HG GLN 35 -12.085 -0.724 4.798 299 HE21 GLN 35 1HE2 GLN 35 -13.796 -1.375 1.744 300 HE22 GLN 35 2HE2 GLN 35 -14.579 0.161 1.672 301 H GLN 36 H GLN 36 -8.635 -2.055 3.273 302 HA GLN 36 HA GLN 36 -8.173 0.118 5.121 303 HB2 GLN 36 2HB GLN 36 -6.344 -2.206 4.402 304 HB3 GLN 36 1HB GLN 36 -6.162 -1.132 5.782 305 HG2 GLN 36 2HG GLN 36 -8.426 -3.088 5.340 306 HG3 GLN 36 1HG GLN 36 -7.073 -3.303 6.445 307 HE21 GLN 36 1HE2 GLN 36 -9.944 -3.267 6.983 308 HE22 GLN 36 2HE2 GLN 36 -10.183 -2.030 8.160 309 H GLU 37 H GLU 37 -7.081 -0.788 1.926 310 HA GLU 37 HA GLU 37 -4.650 0.459 1.568 311 HB2 GLU 37 2HB GLU 37 -5.593 -0.918 -0.190 312 HB3 GLU 37 1HB GLU 37 -7.002 0.125 -0.346 313 HG2 GLU 37 2HG GLU 37 -5.397 1.956 -1.149 314 HG3 GLU 37 1HG GLU 37 -4.158 0.706 -1.228 315 H VAL 38 H VAL 38 -7.853 1.891 0.883 316 HA VAL 38 HA VAL 38 -6.973 4.387 0.015 317 HB VAL 38 HB VAL 38 -9.315 5.208 0.484 318 HG11 VAL 38 1HG1 VAL 38 -9.115 2.543 -0.967 319 HG12 VAL 38 2HG1 VAL 38 -8.749 4.131 -1.648 320 HG13 VAL 38 3HG1 VAL 38 -10.401 3.737 -1.171 321 HG21 VAL 38 1HG2 VAL 38 -9.774 2.400 1.566 322 HG22 VAL 38 2HG2 VAL 38 -11.028 3.608 1.264 323 HG23 VAL 38 3HG2 VAL 38 -9.811 3.892 2.510 324 H SER 39 H SER 39 -7.977 3.428 3.311 325 HA SER 39 HA SER 39 -7.644 6.003 4.481 326 HB2 SER 39 2HB SER 39 -7.774 4.696 6.652 327 HB3 SER 39 1HB SER 39 -9.109 4.413 5.536 328 HG SER 39 HG SER 39 -6.829 2.726 5.688 329 H TYR 40 H TYR 40 -5.519 3.235 4.039 330 HA TYR 40 HA TYR 40 -3.496 3.948 5.912 331 HB2 TYR 40 2HB TYR 40 -3.762 1.641 5.254 332 HB3 TYR 40 1HB TYR 40 -3.569 2.034 3.549 333 HD1 TYR 40 HD1 TYR 40 -1.549 2.742 6.663 334 HD2 TYR 40 HD2 TYR 40 -1.587 1.136 2.698 335 HE1 TYR 40 HE1 TYR 40 0.837 2.227 6.839 336 HE2 TYR 40 HE2 TYR 40 0.803 0.620 2.883 337 HH TYR 40 HH TYR 40 2.763 1.489 4.247 338 H LEU 41 H LEU 41 -3.475 3.979 2.335 339 HA LEU 41 HA LEU 41 -1.040 5.323 2.007 340 HB2 LEU 41 2HB LEU 41 -3.435 5.173 0.132 341 HB3 LEU 41 1HB LEU 41 -1.844 5.751 -0.336 342 HG LEU 41 HG LEU 41 -2.479 2.906 0.571 343 HD11 LEU 41 1HD1 LEU 41 -2.061 2.264 -1.771 344 HD12 LEU 41 2HD1 LEU 41 -1.850 3.961 -2.208 345 HD13 LEU 41 3HD1 LEU 41 -3.419 3.384 -1.643 346 HD21 LEU 41 1HD2 LEU 41 -0.170 2.372 -0.133 347 HD22 LEU 41 2HD2 LEU 41 -0.196 3.522 1.201 348 HD23 LEU 41 3HD2 LEU 41 0.136 4.083 -0.441 349 H GLN 42 H GLN 42 -4.404 6.526 2.214 350 HA GLN 42 HA GLN 42 -3.870 9.249 1.676 351 HB2 GLN 42 2HB GLN 42 -6.126 8.264 1.582 352 HB3 GLN 42 1HB GLN 42 -6.113 8.021 3.323 353 HG2 GLN 42 2HG GLN 42 -6.069 10.462 3.665 354 HG3 GLN 42 1HG GLN 42 -6.059 10.712 1.919 355 HE21 GLN 42 1HE2 GLN 42 -7.996 8.230 3.570 356 HE22 GLN 42 2HE2 GLN 42 -9.524 8.954 3.222 357 H SER 43 H SER 43 -3.739 7.406 4.712 358 HA SER 43 HA SER 43 -3.389 9.609 6.469 359 HB2 SER 43 2HB SER 43 -2.560 6.698 6.771 360 HB3 SER 43 1HB SER 43 -2.437 7.895 8.062 361 HG SER 43 HG SER 43 -4.886 7.517 6.730 362 H ILE 44 H ILE 44 -1.067 7.559 4.708 363 HA ILE 44 HA ILE 44 1.322 8.755 5.681 364 HB ILE 44 HB ILE 44 0.883 7.415 2.966 365 HG12 ILE 44 2HG1 ILE 44 1.807 6.155 5.596 366 HG13 ILE 44 1HG1 ILE 44 0.209 5.951 4.889 367 HG21 ILE 44 1HG2 ILE 44 3.331 6.958 3.067 368 HG22 ILE 44 2HG2 ILE 44 3.436 7.906 4.547 369 HG23 ILE 44 3HG2 ILE 44 2.979 8.688 3.034 370 HD11 ILE 44 1HD1 ILE 44 2.807 5.014 3.679 371 HD12 ILE 44 2HD1 ILE 44 1.204 4.825 2.961 372 HD13 ILE 44 3HD1 ILE 44 1.590 4.019 4.480 373 H GLU 45 H GLU 45 -0.701 9.404 2.855 374 HA GLU 45 HA GLU 45 0.805 11.431 1.628 375 HB2 GLU 45 2HB GLU 45 -2.173 10.802 1.529 376 HB3 GLU 45 1HB GLU 45 -1.434 12.056 0.537 377 HG2 GLU 45 2HG GLU 45 -0.068 10.414 -0.632 378 HG3 GLU 45 1HG GLU 45 -0.612 9.133 0.451 379 H THR 46 H THR 46 -1.829 11.620 4.056 380 HA THR 46 HA THR 46 -1.946 14.476 3.921 381 HB THR 46 HB THR 46 -3.947 13.143 4.534 382 HG1 THR 46 HG1 THR 46 -3.118 15.005 6.540 383 HG21 THR 46 1HG2 THR 46 -4.242 12.289 6.817 384 HG22 THR 46 2HG2 THR 46 -2.575 12.713 7.210 385 HG23 THR 46 3HG2 THR 46 -2.908 11.460 6.015 386 H VAL 47 H VAL 47 -0.107 12.212 5.980 387 HA VAL 47 HA VAL 47 0.713 14.283 7.835 388 HB VAL 47 HB VAL 47 2.424 12.730 8.696 389 HG11 VAL 47 1HG1 VAL 47 -0.254 11.362 8.303 390 HG12 VAL 47 2HG1 VAL 47 0.141 12.538 9.557 391 HG13 VAL 47 3HG1 VAL 47 0.942 10.966 9.542 392 HG21 VAL 47 1HG2 VAL 47 3.117 11.649 6.608 393 HG22 VAL 47 2HG2 VAL 47 1.561 10.828 6.497 394 HG23 VAL 47 3HG2 VAL 47 2.668 10.440 7.817 395 H MET 48 H MET 48 1.951 13.077 4.751 396 HA MET 48 HA MET 48 4.460 14.565 5.001 397 HB2 MET 48 2HB MET 48 3.331 12.779 2.825 398 HB3 MET 48 1HB MET 48 4.872 13.623 2.669 399 HG2 MET 48 2HG MET 48 4.216 11.658 4.875 400 HG3 MET 48 1HG MET 48 5.123 11.275 3.411 401 HE1 MET 48 1HE MET 48 7.950 11.283 6.133 402 HE2 MET 48 2HE MET 48 7.219 10.379 4.809 403 HE3 MET 48 3HE MET 48 6.305 10.671 6.290 404 H GLU 49 H GLU 49 1.342 15.081 3.516 405 HA GLU 49 HA GLU 49 2.201 17.411 1.997 406 HB2 GLU 49 2HB GLU 49 -0.584 16.360 2.652 407 HB3 GLU 49 1HB GLU 49 -0.267 17.739 1.608 408 HG2 GLU 49 2HG GLU 49 0.635 14.892 1.080 409 HG3 GLU 49 1HG GLU 49 -0.749 15.682 0.332 410 H LYS 50 H LYS 50 0.805 16.697 5.134 411 HA LYS 50 HA LYS 50 0.457 19.407 6.039 412 HB2 LYS 50 2HB LYS 50 -0.613 17.275 7.008 413 HB3 LYS 50 1HB LYS 50 0.937 16.894 7.724 414 HG2 LYS 50 2HG LYS 50 -0.517 19.468 8.365 415 HG3 LYS 50 1HG LYS 50 -0.890 17.963 9.202 416 HD2 LYS 50 2HD LYS 50 1.433 17.822 10.008 417 HD3 LYS 50 1HD LYS 50 1.834 19.313 9.147 418 HE2 LYS 50 2HE LYS 50 -0.173 19.046 11.411 419 HE3 LYS 50 1HE LYS 50 1.441 19.748 11.533 420 HZ1 LYS 50 1HZ LYS 50 -0.774 20.807 9.858 421 HZ2 LYS 50 2HZ LYS 50 0.763 21.495 10.007 422 HZ3 LYS 50 3HZ LYS 50 -0.272 21.441 11.340 423 H GLN 51 H GLN 51 2.993 16.979 6.044 424 HA GLN 51 HA GLN 51 5.200 16.936 6.275 425 HB2 GLN 51 2HB GLN 51 5.071 19.975 6.346 426 HB3 GLN 51 1HB GLN 51 6.575 19.058 6.308 427 HG2 GLN 51 2HG GLN 51 6.022 18.136 4.121 428 HG3 GLN 51 1HG GLN 51 4.432 18.893 4.164 429 HE21 GLN 51 1HE2 GLN 51 4.838 19.961 2.212 430 HE22 GLN 51 2HE2 GLN 51 5.909 21.310 2.096 431 H THR 52 H THR 52 6.459 16.386 7.936 432 HA THR 52 HA THR 52 5.605 16.268 10.544 433 HB THR 52 HB THR 52 8.448 16.120 9.451 434 HG1 THR 52 HG1 THR 52 7.591 14.369 8.628 435 HG21 THR 52 1HG2 THR 52 8.579 16.473 11.881 436 HG22 THR 52 2HG2 THR 52 9.019 14.812 11.485 437 HG23 THR 52 3HG2 THR 52 7.428 15.166 12.156 438 HA PRO 53 HA PRO 53 6.364 20.633 11.762 439 HB2 PRO 53 2HB PRO 53 5.424 20.360 14.371 440 HB3 PRO 53 1HB PRO 53 4.381 20.631 12.966 441 HG2 PRO 53 2HG PRO 53 5.002 18.063 14.369 442 HG3 PRO 53 1HG PRO 53 3.451 18.652 13.732 443 HD2 PRO 53 2HD PRO 53 4.930 16.826 12.399 444 HD3 PRO 53 1HD PRO 53 3.955 18.044 11.546 445 HA PRO 54 HA PRO 54 10.385 20.125 13.774 446 HB2 PRO 54 2HB PRO 54 10.061 22.961 14.715 447 HB3 PRO 54 1HB PRO 54 11.330 22.243 13.698 448 HG2 PRO 54 2HG PRO 54 9.507 23.849 12.616 449 HG3 PRO 54 1HG PRO 54 10.059 22.395 11.747 450 HD2 PRO 54 2HD PRO 54 7.516 22.779 13.342 451 HD3 PRO 54 1HD PRO 54 7.738 22.041 11.735 452 H GLY 55 H GLY 55 7.520 21.030 15.500 453 HA2 GLY 55 2HA GLY 55 8.737 20.959 18.157 454 HA3 GLY 55 1HA GLY 55 7.062 21.307 17.765 455 H ILE 56 H ILE 56 9.313 18.555 17.354 456 HA ILE 56 HA ILE 56 7.300 16.729 18.565 457 HB ILE 56 HB ILE 56 9.519 16.050 16.568 458 HG12 ILE 56 2HG1 ILE 56 7.761 17.288 15.414 459 HG13 ILE 56 1HG1 ILE 56 7.646 15.599 14.941 460 HG21 ILE 56 1HG2 ILE 56 8.503 13.802 16.457 461 HG22 ILE 56 2HG2 ILE 56 7.348 14.258 17.709 462 HG23 ILE 56 3HG2 ILE 56 9.069 14.178 18.086 463 HD11 ILE 56 1HD1 ILE 56 5.863 17.088 16.861 464 HD12 ILE 56 2HD1 ILE 56 5.780 15.347 16.579 465 HD13 ILE 56 3HD1 ILE 56 5.454 16.471 15.261 466 H THR 57 H THR 57 7.899 16.222 20.634 467 HA THR 57 HA THR 57 10.589 16.635 21.599 468 HB THR 57 HB THR 57 8.527 17.068 23.011 469 HG1 THR 57 HG1 THR 57 10.442 16.943 24.101 470 HG21 THR 57 1HG2 THR 57 8.458 14.037 23.299 471 HG22 THR 57 2HG2 THR 57 7.243 15.016 22.476 472 HG23 THR 57 3HG2 THR 57 7.484 15.194 24.213 473 H ARG 58 H ARG 58 11.426 14.712 23.146 474 HA ARG 58 HA ARG 58 12.430 12.780 21.315 475 HB2 ARG 58 2HB ARG 58 13.811 11.935 23.101 476 HB3 ARG 58 1HB ARG 58 13.734 13.675 23.316 477 HG2 ARG 58 2HG ARG 58 12.074 11.681 24.900 478 HG3 ARG 58 1HG ARG 58 13.609 12.342 25.452 479 HD2 ARG 58 2HD ARG 58 12.681 14.562 25.611 480 HD3 ARG 58 1HD ARG 58 11.201 14.068 24.782 481 HE ARG 58 HE ARG 58 11.625 12.594 27.205 482 HH11 ARG 58 1HH1 ARG 58 10.414 15.660 25.966 483 HH12 ARG 58 2HH1 ARG 58 9.376 15.938 27.326 484 HH21 ARG 58 1HH2 ARG 58 10.251 12.999 29.000 485 HH22 ARG 58 2HH2 ARG 58 9.285 14.442 29.033 486 H SER 59 H SER 59 9.877 12.660 23.755 487 HA SER 59 HA SER 59 9.543 9.835 23.825 488 HB2 SER 59 2HB SER 59 7.518 12.006 24.503 489 HB3 SER 59 1HB SER 59 7.494 10.330 25.063 490 HG SER 59 HG SER 59 9.138 10.727 26.395 491 H ILE 60 H ILE 60 7.906 12.450 22.086 492 HA ILE 60 HA ILE 60 5.979 10.836 20.748 493 HB ILE 60 HB ILE 60 6.921 13.692 20.217 494 HG12 ILE 60 2HG1 ILE 60 4.385 12.645 21.567 495 HG13 ILE 60 1HG1 ILE 60 5.794 13.259 22.424 496 HG21 ILE 60 1HG2 ILE 60 4.871 13.987 18.835 497 HG22 ILE 60 2HG2 ILE 60 4.528 12.264 18.992 498 HG23 ILE 60 3HG2 ILE 60 5.970 12.797 18.128 499 HD11 ILE 60 1HD1 ILE 60 3.996 14.835 20.594 500 HD12 ILE 60 2HD1 ILE 60 5.435 15.458 21.407 501 HD13 ILE 60 3HD1 ILE 60 4.053 14.911 22.356 502 H GLN 61 H GLN 61 9.191 12.042 19.924 503 HA GLN 61 HA GLN 61 9.270 11.283 17.198 504 HB2 GLN 61 2HB GLN 61 10.889 12.890 18.141 505 HB3 GLN 61 1HB GLN 61 11.547 11.647 19.201 506 HG2 GLN 61 2HG GLN 61 12.281 10.370 17.188 507 HG3 GLN 61 1HG GLN 61 11.695 11.689 16.173 508 HE21 GLN 61 1HE2 GLN 61 12.899 13.609 16.076 509 HE22 GLN 61 2HE2 GLN 61 14.505 13.719 16.697 510 H ASP 62 H ASP 62 10.177 9.639 20.220 511 HA ASP 62 HA ASP 62 11.274 7.282 19.095 512 HB2 ASP 62 2HB ASP 62 11.678 8.002 21.439 513 HB3 ASP 62 1HB ASP 62 9.990 7.700 21.839 514 H MET 63 H MET 63 7.959 8.150 20.074 515 HA MET 63 HA MET 63 6.703 5.636 19.753 516 HB2 MET 63 2HB MET 63 5.488 8.406 19.368 517 HB3 MET 63 1HB MET 63 4.564 6.914 19.462 518 HG2 MET 63 2HG MET 63 5.516 6.597 21.781 519 HG3 MET 63 1HG MET 63 6.146 8.238 21.654 520 HE1 MET 63 1HE MET 63 3.537 9.410 19.787 521 HE2 MET 63 2HE MET 63 4.379 10.370 21.005 522 HE3 MET 63 3HE MET 63 2.631 10.175 21.091 523 H VAL 64 H VAL 64 6.907 8.405 17.514 524 HA VAL 64 HA VAL 64 5.619 6.990 15.382 525 HB VAL 64 HB VAL 64 5.981 8.961 13.997 526 HG11 VAL 64 1HG1 VAL 64 4.706 10.584 15.327 527 HG12 VAL 64 2HG1 VAL 64 5.118 9.731 16.815 528 HG13 VAL 64 3HG1 VAL 64 4.101 8.951 15.600 529 HG21 VAL 64 1HG2 VAL 64 7.670 10.069 16.269 530 HG22 VAL 64 2HG2 VAL 64 7.209 10.934 14.797 531 HG23 VAL 64 3HG2 VAL 64 8.273 9.532 14.698 532 H ALA 65 H ALA 65 8.972 7.399 16.311 533 HA ALA 65 HA ALA 65 10.200 6.534 13.905 534 HB1 ALA 65 1HB ALA 65 11.118 6.025 16.762 535 HB2 ALA 65 2HB ALA 65 11.509 7.444 15.792 536 HB3 ALA 65 3HB ALA 65 12.112 5.860 15.305 537 H GLY 66 H GLY 66 8.947 4.767 16.740 538 HA2 GLY 66 2HA GLY 66 9.283 2.123 15.839 539 HA3 GLY 66 1HA GLY 66 8.051 2.668 16.975 540 H TYR 67 H TYR 67 6.601 4.431 15.339 541 HA TYR 67 HA TYR 67 4.823 2.633 14.075 542 HB2 TYR 67 2HB TYR 67 4.974 5.669 14.021 543 HB3 TYR 67 1HB TYR 67 3.686 4.773 13.221 544 HD1 TYR 67 HD1 TYR 67 3.904 6.777 15.848 545 HD2 TYR 67 HD2 TYR 67 3.052 2.639 15.200 546 HE1 TYR 67 HE1 TYR 67 2.591 6.717 17.921 547 HE2 TYR 67 HE2 TYR 67 1.722 2.590 17.256 548 HH TYR 67 HH TYR 67 1.493 3.761 19.299 549 H ILE 68 H ILE 68 7.222 4.879 12.692 550 HA ILE 68 HA ILE 68 6.563 4.380 9.958 551 HB ILE 68 HB ILE 68 9.225 5.433 11.052 552 HG12 ILE 68 2HG1 ILE 68 6.847 7.039 10.010 553 HG13 ILE 68 1HG1 ILE 68 7.251 6.867 11.705 554 HG21 ILE 68 1HG2 ILE 68 9.401 4.602 8.735 555 HG22 ILE 68 2HG2 ILE 68 9.539 6.358 8.761 556 HG23 ILE 68 3HG2 ILE 68 8.028 5.601 8.252 557 HD11 ILE 68 1HD1 ILE 68 9.366 8.026 11.327 558 HD12 ILE 68 2HD1 ILE 68 7.984 9.004 10.835 559 HD13 ILE 68 3HD1 ILE 68 8.969 8.198 9.615 560 H LYS 69 H LYS 69 8.959 3.051 12.233 561 HA LYS 69 HA LYS 69 10.366 1.346 10.502 562 HB2 LYS 69 2HB LYS 69 11.176 1.926 12.716 563 HB3 LYS 69 1HB LYS 69 9.805 1.160 13.490 564 HG2 LYS 69 2HG LYS 69 11.681 -0.523 11.824 565 HG3 LYS 69 1HG LYS 69 12.189 -0.012 13.429 566 HD2 LYS 69 2HD LYS 69 9.725 -1.676 12.768 567 HD3 LYS 69 1HD LYS 69 11.212 -2.255 13.520 568 HE2 LYS 69 2HE LYS 69 10.798 -0.825 15.483 569 HE3 LYS 69 1HE LYS 69 9.325 -0.204 14.734 570 HZ1 LYS 69 1HZ LYS 69 9.812 -3.029 15.500 571 HZ2 LYS 69 2HZ LYS 69 8.400 -2.436 14.800 572 HZ3 LYS 69 3HZ LYS 69 8.852 -1.937 16.350 573 H GLN 70 H GLN 70 7.448 0.703 12.468 574 HA GLN 70 HA GLN 70 6.983 -1.981 11.781 575 HB2 GLN 70 2HB GLN 70 4.995 0.226 12.451 576 HB3 GLN 70 1HB GLN 70 4.542 -1.467 12.284 577 HG2 GLN 70 2HG GLN 70 5.970 -2.046 14.196 578 HG3 GLN 70 1HG GLN 70 6.458 -0.358 14.349 579 HE21 GLN 70 1HE2 GLN 70 3.156 -1.460 13.587 580 HE22 GLN 70 2HE2 GLN 70 2.453 -0.911 15.066 581 H THR 71 H THR 71 5.769 1.029 10.312 582 HA THR 71 HA THR 71 4.142 -0.291 8.411 583 HB THR 71 HB THR 71 3.911 2.130 9.364 584 HG1 THR 71 HG1 THR 71 3.424 1.428 6.654 585 HG21 THR 71 1HG2 THR 71 5.565 2.786 6.903 586 HG22 THR 71 2HG2 THR 71 6.084 3.030 8.569 587 HG23 THR 71 3HG2 THR 71 4.713 3.937 7.935 588 H LEU 72 H LEU 72 7.503 0.730 8.351 589 HA LEU 72 HA LEU 72 7.941 0.541 5.533 590 HB2 LEU 72 2HB LEU 72 9.857 0.369 7.893 591 HB3 LEU 72 1HB LEU 72 10.406 0.263 6.227 592 HG LEU 72 HG LEU 72 8.955 2.669 7.397 593 HD11 LEU 72 1HD1 LEU 72 11.914 2.331 6.820 594 HD12 LEU 72 2HD1 LEU 72 11.170 2.395 8.420 595 HD13 LEU 72 3HD1 LEU 72 11.115 3.808 7.371 596 HD21 LEU 72 1HD2 LEU 72 10.306 2.273 4.707 597 HD22 LEU 72 2HD2 LEU 72 9.664 3.799 5.318 598 HD23 LEU 72 3HD2 LEU 72 8.573 2.454 5.003 599 H ASP 73 H ASP 73 8.386 -1.704 8.237 600 HA ASP 73 HA ASP 73 9.441 -3.912 6.831 601 HB2 ASP 73 2HB ASP 73 9.577 -3.855 9.263 602 HB3 ASP 73 1HB ASP 73 7.826 -3.753 9.416 603 H ASN 74 H ASN 74 6.109 -3.202 7.859 604 HA ASN 74 HA ASN 74 4.868 -5.472 6.779 605 HB2 ASN 74 2HB ASN 74 3.679 -2.734 7.375 606 HB3 ASN 74 1HB ASN 74 2.745 -4.202 7.104 607 HD21 ASN 74 1HD2 ASN 74 4.588 -5.928 8.684 608 HD22 ASN 74 2HD2 ASN 74 4.290 -5.508 10.326 609 H GLU 75 H GLU 75 5.375 -2.232 5.425 610 HA GLU 75 HA GLU 75 3.799 -2.660 3.062 611 HB2 GLU 75 2HB GLU 75 4.044 -0.484 4.165 612 HB3 GLU 75 1HB GLU 75 5.763 -0.471 3.806 613 HG2 GLU 75 2HG GLU 75 5.360 -0.152 1.474 614 HG3 GLU 75 1HG GLU 75 3.638 -0.496 1.651 615 H GLN 76 H GLN 76 7.176 -3.100 3.889 616 HA GLN 76 HA GLN 76 8.136 -3.547 1.214 617 HB2 GLN 76 2HB GLN 76 9.689 -2.999 3.034 618 HB3 GLN 76 1HB GLN 76 9.230 -4.453 3.912 619 HG2 GLN 76 2HG GLN 76 10.215 -5.848 2.144 620 HG3 GLN 76 1HG GLN 76 10.639 -4.409 1.222 621 HE21 GLN 76 1HE2 GLN 76 10.975 -4.656 4.740 622 HE22 GLN 76 2HE2 GLN 76 12.698 -4.675 4.741 623 H LEU 77 H LEU 77 6.764 -5.570 3.769 624 HA LEU 77 HA LEU 77 7.001 -8.069 2.410 625 HB2 LEU 77 2HB LEU 77 5.134 -7.212 4.653 626 HB3 LEU 77 1HB LEU 77 5.329 -8.869 4.104 627 HG LEU 77 HG LEU 77 7.502 -7.171 5.400 628 HD11 LEU 77 1HD1 LEU 77 5.985 -9.538 6.535 629 HD12 LEU 77 2HD1 LEU 77 5.781 -7.850 7.006 630 HD13 LEU 77 3HD1 LEU 77 7.308 -8.669 7.321 631 HD21 LEU 77 1HD2 LEU 77 8.856 -9.219 5.432 632 HD22 LEU 77 2HD2 LEU 77 8.481 -8.711 3.788 633 HD23 LEU 77 3HD2 LEU 77 7.609 -10.067 4.512 634 H LEU 78 H LEU 78 4.547 -5.507 2.474 635 HA LEU 78 HA LEU 78 2.555 -6.743 0.875 636 HB2 LEU 78 2HB LEU 78 3.324 -3.800 1.069 637 HB3 LEU 78 1HB LEU 78 1.893 -4.390 0.240 638 HG LEU 78 HG LEU 78 2.400 -4.657 3.221 639 HD11 LEU 78 1HD1 LEU 78 0.542 -2.763 1.748 640 HD12 LEU 78 2HD1 LEU 78 2.078 -2.316 2.495 641 HD13 LEU 78 3HD1 LEU 78 0.753 -2.893 3.496 642 HD21 LEU 78 1HD2 LEU 78 0.999 -6.480 2.353 643 HD22 LEU 78 2HD2 LEU 78 -0.081 -5.308 1.592 644 HD23 LEU 78 3HD2 LEU 78 0.054 -5.376 3.351 645 H LYS 79 H LYS 79 5.404 -4.785 0.104 646 HA LYS 79 HA LYS 79 5.069 -4.409 -2.623 647 HB2 LYS 79 2HB LYS 79 6.760 -3.202 -1.334 648 HB3 LYS 79 1HB LYS 79 7.616 -4.698 -0.974 649 HG2 LYS 79 2HG LYS 79 8.248 -4.951 -3.315 650 HG3 LYS 79 1HG LYS 79 7.318 -3.514 -3.756 651 HD2 LYS 79 2HD LYS 79 8.827 -2.063 -2.557 652 HD3 LYS 79 1HD LYS 79 9.617 -3.434 -1.768 653 HE2 LYS 79 2HE LYS 79 10.976 -2.439 -3.609 654 HE3 LYS 79 1HE LYS 79 10.608 -4.146 -3.861 655 HZ1 LYS 79 1HZ LYS 79 8.881 -3.533 -5.408 656 HZ2 LYS 79 2HZ LYS 79 10.339 -2.818 -5.877 657 HZ3 LYS 79 3HZ LYS 79 9.147 -1.887 -5.123 658 H GLY 80 H GLY 80 7.041 -6.985 -1.030 659 HA2 GLY 80 2HA GLY 80 7.614 -8.480 -3.353 660 HA3 GLY 80 1HA GLY 80 7.671 -9.095 -1.710 661 H LEU 81 H LEU 81 4.993 -8.920 -0.973 662 HA LEU 81 HA LEU 81 3.987 -11.381 -1.924 663 HB2 LEU 81 2HB LEU 81 3.639 -10.286 0.331 664 HB3 LEU 81 1HB LEU 81 2.479 -9.209 -0.413 665 HG LEU 81 HG LEU 81 2.084 -12.239 -0.363 666 HD11 LEU 81 1HD1 LEU 81 1.085 -10.220 1.677 667 HD12 LEU 81 2HD1 LEU 81 2.329 -11.444 1.947 668 HD13 LEU 81 3HD1 LEU 81 0.672 -11.939 1.620 669 HD21 LEU 81 1HD2 LEU 81 0.649 -11.064 -1.980 670 HD22 LEU 81 2HD2 LEU 81 0.078 -9.978 -0.713 671 HD23 LEU 81 3HD2 LEU 81 -0.309 -11.699 -0.643 672 H LEU 82 H LEU 82 2.837 -8.053 -2.454 673 HA LEU 82 HA LEU 82 0.729 -8.779 -4.216 674 HB2 LEU 82 2HB LEU 82 1.995 -6.048 -3.773 675 HB3 LEU 82 1HB LEU 82 0.492 -6.340 -4.632 676 HG LEU 82 HG LEU 82 0.980 -6.780 -1.657 677 HD11 LEU 82 1HD1 LEU 82 -0.648 -4.959 -1.338 678 HD12 LEU 82 2HD1 LEU 82 -0.750 -4.735 -3.086 679 HD13 LEU 82 3HD1 LEU 82 0.767 -4.420 -2.241 680 HD21 LEU 82 1HD2 LEU 82 -1.405 -7.341 -1.479 681 HD22 LEU 82 2HD2 LEU 82 -0.542 -8.502 -2.485 682 HD23 LEU 82 3HD2 LEU 82 -1.562 -7.271 -3.236 683 H GLN 83 H GLN 83 4.161 -7.997 -4.741 684 HA GLN 83 HA GLN 83 4.059 -7.619 -7.554 685 HB2 GLN 83 2HB GLN 83 6.272 -8.529 -5.697 686 HB3 GLN 83 1HB GLN 83 6.507 -8.660 -7.437 687 HG2 GLN 83 2HG GLN 83 6.151 -6.247 -7.690 688 HG3 GLN 83 1HG GLN 83 5.862 -6.091 -5.962 689 HE21 GLN 83 1HE2 GLN 83 8.384 -8.148 -7.353 690 HE22 GLN 83 2HE2 GLN 83 9.703 -7.199 -6.783 691 H GLN 84 H GLN 84 4.365 -10.556 -5.580 692 HA GLN 84 HA GLN 84 4.453 -12.489 -7.635 693 HB2 GLN 84 2HB GLN 84 3.089 -12.740 -4.920 694 HB3 GLN 84 1HB GLN 84 3.570 -14.080 -5.958 695 HG2 GLN 84 2HG GLN 84 5.921 -13.549 -5.636 696 HG3 GLN 84 1HG GLN 84 5.504 -12.099 -4.728 697 HE21 GLN 84 1HE2 GLN 84 3.848 -15.205 -4.355 698 HE22 GLN 84 2HE2 GLN 84 4.420 -15.509 -2.758 699 H ARG 85 H ARG 85 1.671 -11.065 -5.916 700 HA ARG 85 HA ARG 85 -0.379 -12.550 -7.129 701 HB2 ARG 85 2HB ARG 85 -0.567 -9.745 -5.962 702 HB3 ARG 85 1HB ARG 85 -1.921 -10.832 -6.244 703 HG2 ARG 85 2HG ARG 85 0.332 -11.274 -4.269 704 HG3 ARG 85 1HG ARG 85 -1.299 -10.736 -3.879 705 HD2 ARG 85 2HD ARG 85 -1.305 -13.021 -3.335 706 HD3 ARG 85 1HD ARG 85 -2.088 -12.969 -4.910 707 HE ARG 85 HE ARG 85 -0.142 -13.910 -5.893 708 HH11 ARG 85 1HH1 ARG 85 0.028 -13.855 -2.372 709 HH12 ARG 85 2HH1 ARG 85 1.264 -15.066 -2.298 710 HH21 ARG 85 1HH2 ARG 85 1.432 -15.523 -5.786 711 HH22 ARG 85 2HH2 ARG 85 2.068 -16.020 -4.241 712 H LEU 86 H LEU 86 0.788 -9.269 -7.902 713 HA LEU 86 HA LEU 86 -0.977 -8.704 -10.018 714 HB2 LEU 86 2HB LEU 86 1.770 -7.564 -9.368 715 HB3 LEU 86 1HB LEU 86 0.744 -6.928 -10.644 716 HG LEU 86 HG LEU 86 0.080 -6.933 -7.675 717 HD11 LEU 86 1HD1 LEU 86 0.785 -4.626 -9.520 718 HD12 LEU 86 2HD1 LEU 86 1.818 -5.304 -8.258 719 HD13 LEU 86 3HD1 LEU 86 0.314 -4.496 -7.822 720 HD21 LEU 86 1HD2 LEU 86 -1.957 -7.215 -8.955 721 HD22 LEU 86 2HD2 LEU 86 -1.520 -5.882 -10.027 722 HD23 LEU 86 3HD2 LEU 86 -1.883 -5.569 -8.330 723 H ASP 87 H ASP 87 2.177 -10.281 -9.942 724 HA ASP 87 HA ASP 87 2.689 -10.282 -12.736 725 HB2 ASP 87 2HB ASP 87 4.453 -10.713 -11.041 726 HB3 ASP 87 1HB ASP 87 3.676 -12.230 -10.601 727 H GLU 88 H GLU 88 1.170 -12.647 -10.559 728 HA GLU 88 HA GLU 88 0.603 -14.662 -12.460 729 HB2 GLU 88 2HB GLU 88 -0.819 -13.988 -9.846 730 HB3 GLU 88 1HB GLU 88 -1.043 -15.483 -10.755 731 HG2 GLU 88 2HG GLU 88 1.314 -16.083 -10.408 732 HG3 GLU 88 1HG GLU 88 1.593 -14.559 -9.567 733 H LEU 89 H LEU 89 -1.432 -12.027 -11.149 734 HA LEU 89 HA LEU 89 -3.763 -12.505 -12.621 735 HB2 LEU 89 2HB LEU 89 -2.716 -9.868 -11.505 736 HB3 LEU 89 1HB LEU 89 -4.345 -10.105 -12.117 737 HG LEU 89 HG LEU 89 -3.160 -11.532 -9.701 738 HD11 LEU 89 1HD1 LEU 89 -4.693 -10.161 -8.363 739 HD12 LEU 89 2HD1 LEU 89 -5.229 -9.314 -9.817 740 HD13 LEU 89 3HD1 LEU 89 -3.561 -9.150 -9.263 741 HD21 LEU 89 1HD2 LEU 89 -5.445 -12.374 -9.308 742 HD22 LEU 89 2HD2 LEU 89 -4.798 -12.956 -10.839 743 HD23 LEU 89 3HD2 LEU 89 -5.984 -11.646 -10.823 744 H SER 90 H SER 90 -0.946 -10.502 -13.403 745 HA SER 90 HA SER 90 -1.908 -9.291 -15.783 746 HB2 SER 90 2HB SER 90 0.040 -8.425 -14.518 747 HB3 SER 90 1HB SER 90 0.974 -9.861 -14.932 748 HG SER 90 HG SER 90 -0.129 -8.053 -16.831 749 H SER 91 H SER 91 -0.165 -12.302 -15.160 750 HA SER 91 HA SER 91 0.293 -13.022 -17.887 751 HB2 SER 91 2HB SER 91 1.631 -13.934 -16.007 752 HB3 SER 91 1HB SER 91 0.207 -14.772 -15.393 753 HG SER 91 HG SER 91 0.724 -16.331 -16.690 754 H LEU 92 H LEU 92 -2.350 -13.497 -15.611 755 HA LEU 92 HA LEU 92 -3.874 -15.334 -17.193 756 HB2 LEU 92 2HB LEU 92 -4.739 -13.480 -14.935 757 HB3 LEU 92 1HB LEU 92 -5.740 -14.749 -15.622 758 HG LEU 92 HG LEU 92 -3.115 -15.215 -14.145 759 HD11 LEU 92 1HD1 LEU 92 -4.870 -14.428 -12.624 760 HD12 LEU 92 2HD1 LEU 92 -4.466 -16.115 -12.314 761 HD13 LEU 92 3HD1 LEU 92 -5.949 -15.708 -13.185 762 HD21 LEU 92 1HD2 LEU 92 -3.487 -16.933 -15.826 763 HD22 LEU 92 2HD2 LEU 92 -5.122 -17.216 -15.223 764 HD23 LEU 92 3HD2 LEU 92 -3.727 -17.602 -14.212 765 H ILE 93 H ILE 93 -3.893 -11.804 -16.767 766 HA ILE 93 HA ILE 93 -6.047 -11.136 -18.473 767 HB ILE 93 HB ILE 93 -3.590 -9.512 -17.638 768 HG12 ILE 93 2HG1 ILE 93 -6.465 -9.379 -16.608 769 HG13 ILE 93 1HG1 ILE 93 -5.152 -10.214 -15.793 770 HG21 ILE 93 1HG2 ILE 93 -4.815 -7.474 -18.345 771 HG22 ILE 93 2HG2 ILE 93 -6.102 -8.481 -19.010 772 HG23 ILE 93 3HG2 ILE 93 -4.486 -8.543 -19.713 773 HD11 ILE 93 1HD1 ILE 93 -5.335 -7.251 -16.294 774 HD12 ILE 93 2HD1 ILE 93 -3.977 -8.077 -15.525 775 HD13 ILE 93 3HD1 ILE 93 -5.565 -8.090 -14.760 776 H GLY 94 H GLY 94 -2.604 -11.672 -19.055 777 HA2 GLY 94 2HA GLY 94 -2.407 -10.803 -21.732 778 HA3 GLY 94 1HA GLY 94 -1.350 -11.966 -20.945 779 H GLN 95 H GLN 95 -4.018 -13.550 -20.475 780 HA GLN 95 HA GLN 95 -4.023 -14.981 -23.064 781 HB2 GLN 95 2HB GLN 95 -4.880 -15.938 -20.291 782 HB3 GLN 95 1HB GLN 95 -4.857 -16.919 -21.752 783 HG2 GLN 95 2HG GLN 95 -2.444 -15.723 -20.369 784 HG3 GLN 95 1HG GLN 95 -2.932 -17.416 -20.331 785 HE21 GLN 95 1HE2 GLN 95 -2.728 -18.651 -22.271 786 HE22 GLN 95 2HE2 GLN 95 -1.623 -18.185 -23.513 787 H VAL 96 H VAL 96 -6.213 -13.872 -20.448 788 HA VAL 96 HA VAL 96 -8.581 -14.765 -21.815 789 HB VAL 96 HB VAL 96 -9.862 -13.863 -19.925 790 HG11 VAL 96 1HG1 VAL 96 -8.919 -15.231 -18.101 791 HG12 VAL 96 2HG1 VAL 96 -7.395 -15.368 -18.983 792 HG13 VAL 96 3HG1 VAL 96 -8.868 -16.079 -19.649 793 HG21 VAL 96 1HG2 VAL 96 -8.627 -11.787 -19.483 794 HG22 VAL 96 2HG2 VAL 96 -7.250 -12.705 -18.875 795 HG23 VAL 96 3HG2 VAL 96 -8.786 -12.735 -18.002 796 H LEU 97 H LEU 97 -6.988 -11.617 -21.359 797 HA LEU 97 HA LEU 97 -9.190 -10.137 -22.559 798 HB2 LEU 97 2HB LEU 97 -7.627 -9.273 -20.709 799 HB3 LEU 97 1HB LEU 97 -6.385 -9.104 -21.932 800 HG LEU 97 HG LEU 97 -9.052 -7.607 -22.032 801 HD11 LEU 97 1HD1 LEU 97 -7.852 -6.939 -20.014 802 HD12 LEU 97 2HD1 LEU 97 -7.852 -5.627 -21.189 803 HD13 LEU 97 3HD1 LEU 97 -6.397 -6.603 -20.954 804 HD21 LEU 97 1HD2 LEU 97 -7.982 -7.724 -24.226 805 HD22 LEU 97 2HD2 LEU 97 -6.473 -7.105 -23.556 806 HD23 LEU 97 3HD2 LEU 97 -7.908 -6.077 -23.599 807 H PHE 98 H PHE 98 -9.486 -10.421 -24.686 808 HA PHE 98 HA PHE 98 -7.261 -10.847 -26.521 809 HB2 PHE 98 2HB PHE 98 -10.244 -10.599 -27.116 810 HB3 PHE 98 1HB PHE 98 -9.000 -11.129 -28.245 811 HD1 PHE 98 HD1 PHE 98 -7.534 -13.200 -27.377 812 HD2 PHE 98 HD2 PHE 98 -11.479 -12.265 -26.022 813 HE1 PHE 98 HE1 PHE 98 -7.844 -15.528 -26.647 814 HE2 PHE 98 HE2 PHE 98 -11.780 -14.592 -25.297 815 HZ PHE 98 HZ PHE 98 -9.967 -16.225 -25.607 816 H GLN 99 H GLN 99 -6.125 -9.023 -26.649 817 HA GLN 99 HA GLN 99 -7.358 -6.390 -27.069 818 HB2 GLN 99 2HB GLN 99 -4.757 -5.744 -27.102 819 HB3 GLN 99 1HB GLN 99 -5.607 -6.037 -25.600 820 HG2 GLN 99 2HG GLN 99 -3.381 -7.066 -25.602 821 HG3 GLN 99 1HG GLN 99 -4.658 -8.268 -25.432 822 HE21 GLN 99 1HE2 GLN 99 -2.194 -7.000 -27.546 823 HE22 GLN 99 2HE2 GLN 99 -2.158 -8.344 -28.628 824 H GLY 100 H GLY 100 -7.110 -8.786 -29.060 825 HA2 GLY 100 2HA GLY 100 -7.610 -7.758 -31.413 826 HA3 GLY 100 1HA GLY 100 -5.875 -7.442 -31.360 827 HA PRO 101 HA PRO 101 -4.901 -11.630 -32.694 828 HB2 PRO 101 2HB PRO 101 -2.966 -11.779 -30.376 829 HB3 PRO 101 1HB PRO 101 -2.676 -12.055 -32.108 830 HG2 PRO 101 2HG PRO 101 -1.825 -9.816 -30.988 831 HG3 PRO 101 1HG PRO 101 -2.579 -9.765 -32.602 832 HD2 PRO 101 2HD PRO 101 -3.795 -9.060 -29.930 833 HD3 PRO 101 1HD PRO 101 -3.918 -8.200 -31.483 834 H SER 102 H SER 102 -4.747 -13.923 -31.908 835 HA SER 102 HA SER 102 -5.694 -15.763 -31.016 836 HB2 SER 102 2HB SER 102 -6.245 -14.155 -28.482 837 HB3 SER 102 1HB SER 102 -6.136 -15.910 -28.631 838 HG SER 102 HG SER 102 -4.179 -14.116 -28.214 839 H ALA 103 H ALA 103 -7.352 -13.398 -32.208 840 HA ALA 103 HA ALA 103 -10.046 -14.415 -31.606 841 HB1 ALA 103 1HB ALA 103 -9.669 -12.597 -29.990 842 HB2 ALA 103 2HB ALA 103 -10.893 -12.129 -31.172 843 HB3 ALA 103 3HB ALA 103 -9.249 -11.492 -31.300 844 H GLY 104 H GLY 104 -11.431 -14.288 -33.339 845 HA2 GLY 104 2HA GLY 104 -10.397 -13.855 -35.953 846 HA3 GLY 104 1HA GLY 104 -12.082 -14.139 -35.546 847 H LEU 105 H LEU 105 -12.603 -11.976 -33.920 848 HA LEU 105 HA LEU 105 -12.212 -9.593 -35.648 849 HB2 LEU 105 2HB LEU 105 -14.275 -8.690 -34.536 850 HB3 LEU 105 1HB LEU 105 -14.545 -10.106 -35.521 851 HG LEU 105 HG LEU 105 -14.556 -11.456 -33.292 852 HD11 LEU 105 1HD1 LEU 105 -13.629 -9.775 -31.782 853 HD12 LEU 105 2HD1 LEU 105 -15.247 -10.242 -31.267 854 HD13 LEU 105 3HD1 LEU 105 -14.995 -8.704 -32.098 855 HD21 LEU 105 1HD2 LEU 105 -16.945 -10.999 -32.903 856 HD22 LEU 105 2HD2 LEU 105 -16.578 -11.079 -34.625 857 HD23 LEU 105 3HD2 LEU 105 -16.820 -9.512 -33.850 858 H VAL 106 H VAL 106 -11.995 -7.510 -34.414 859 HA VAL 106 HA VAL 106 -10.275 -7.768 -32.068 860 HB VAL 106 HB VAL 106 -11.196 -5.199 -33.455 861 HG11 VAL 106 1HG1 VAL 106 -10.339 -4.836 -31.172 862 HG12 VAL 106 2HG1 VAL 106 -9.219 -4.170 -32.362 863 HG13 VAL 106 3HG1 VAL 106 -8.854 -5.706 -31.571 864 HG21 VAL 106 1HG2 VAL 106 -10.012 -6.655 -35.065 865 HG22 VAL 106 2HG2 VAL 106 -8.637 -6.764 -33.964 866 HG23 VAL 106 3HG2 VAL 106 -9.068 -5.211 -34.688 867 HA PRO 107 HA PRO 107 -14.093 -7.064 -29.549 868 HB2 PRO 107 2HB PRO 107 -12.304 -7.746 -27.258 869 HB3 PRO 107 1HB PRO 107 -13.805 -8.538 -27.782 870 HG2 PRO 107 2HG PRO 107 -11.438 -9.745 -28.099 871 HG3 PRO 107 1HG PRO 107 -12.717 -9.906 -29.326 872 HD2 PRO 107 2HD PRO 107 -10.318 -8.052 -29.347 873 HD3 PRO 107 1HD PRO 107 -10.922 -9.124 -30.637 874 H ARG 108 H ARG 108 -13.871 -4.834 -30.141 875 HA ARG 108 HA ARG 108 -12.034 -3.071 -28.756 876 HB2 ARG 108 2HB ARG 108 -12.567 -2.769 -31.166 877 HB3 ARG 108 1HB ARG 108 -14.252 -2.475 -30.762 878 HG2 ARG 108 2HG ARG 108 -13.000 -0.399 -31.298 879 HG3 ARG 108 1HG ARG 108 -13.684 -0.378 -29.669 880 HD2 ARG 108 2HD ARG 108 -11.397 0.537 -29.718 881 HD3 ARG 108 1HD ARG 108 -11.480 -0.921 -28.722 882 HE ARG 108 HE ARG 108 -10.708 -1.424 -31.458 883 HH11 ARG 108 1HH1 ARG 108 -9.443 -0.516 -28.298 884 HH12 ARG 108 2HH1 ARG 108 -7.844 -1.079 -28.654 885 HH21 ARG 108 1HH2 ARG 108 -8.609 -2.165 -31.891 886 HH22 ARG 108 2HH2 ARG 108 -7.372 -2.007 -30.686 887 H GLY 109 H GLY 109 -15.211 -4.247 -28.178 888 HA2 GLY 109 2HA GLY 109 -16.278 -2.016 -26.700 889 HA3 GLY 109 1HA GLY 109 -16.905 -3.656 -26.736 890 H SER 110 H SER 110 -14.128 -1.814 -25.433 891 HA SER 110 HA SER 110 -13.437 -3.705 -23.431 892 HB2 SER 110 2HB SER 110 -12.772 -0.735 -23.594 893 HB3 SER 110 1HB SER 110 -11.923 -1.939 -22.619 894 HG SER 110 HG SER 110 -11.596 -1.299 -25.216 895 H GLY 111 H GLY 111 -14.378 -4.031 -21.498 896 HA2 GLY 111 2HA GLY 111 -15.581 -3.660 -19.553 897 HA3 GLY 111 1HA GLY 111 -15.889 -2.001 -20.050 898 H GLY 112 H GLY 112 -16.560 -4.442 -22.385 899 HA2 GLY 112 2HA GLY 112 -19.180 -5.228 -21.624 900 HA3 GLY 112 1HA GLY 112 -19.258 -3.871 -22.743 901 H ILE 113 H ILE 113 -16.900 -6.555 -22.685 902 HA ILE 113 HA ILE 113 -17.233 -7.053 -25.496 903 HB ILE 113 HB ILE 113 -15.761 -8.830 -23.479 904 HG12 ILE 113 2HG1 ILE 113 -13.667 -7.695 -24.697 905 HG13 ILE 113 1HG1 ILE 113 -14.802 -6.392 -25.015 906 HG21 ILE 113 1HG2 ILE 113 -16.327 -10.021 -25.551 907 HG22 ILE 113 2HG2 ILE 113 -14.587 -9.750 -25.455 908 HG23 ILE 113 3HG2 ILE 113 -15.576 -8.744 -26.515 909 HD11 ILE 113 1HD1 ILE 113 -14.017 -7.441 -22.296 910 HD12 ILE 113 2HD1 ILE 113 -15.143 -6.113 -22.601 911 HD13 ILE 113 3HD1 ILE 113 -13.444 -5.952 -23.049 912 H GLU 114 H GLU 114 -18.489 -8.594 -26.466 913 HA GLU 114 HA GLU 114 -20.635 -9.844 -25.079 914 HB2 GLU 114 2HB GLU 114 -21.106 -10.896 -27.346 915 HB3 GLU 114 1HB GLU 114 -21.009 -9.140 -27.332 916 HG2 GLU 114 2HG GLU 114 -18.543 -9.459 -28.090 917 HG3 GLU 114 1HG GLU 114 -19.018 -11.113 -28.465 918 H GLY 115 H GLY 115 -20.495 -11.612 -23.848 919 HA2 GLY 115 2HA GLY 115 -20.177 -14.072 -23.885 920 HA3 GLY 115 1HA GLY 115 -18.535 -13.774 -24.455 921 H SER 428 H SER 428 -18.751 -15.293 -22.300 922 HA SER 428 HA SER 428 -18.754 -13.988 -19.768 923 HB2 SER 428 2HB SER 428 -19.251 -16.428 -20.080 924 HB3 SER 428 1HB SER 428 -17.555 -16.711 -20.468 925 HG SER 428 HG SER 428 -18.548 -15.627 -18.033 926 H ILE 429 H ILE 429 -16.380 -14.304 -22.218 927 HA ILE 429 HA ILE 429 -13.943 -13.972 -21.041 928 HB ILE 429 HB ILE 429 -14.158 -14.165 -23.435 929 HG12 ILE 429 2HG1 ILE 429 -12.204 -12.643 -22.381 930 HG13 ILE 429 1HG1 ILE 429 -12.348 -12.876 -24.111 931 HG21 ILE 429 1HG2 ILE 429 -16.264 -13.031 -23.794 932 HG22 ILE 429 2HG2 ILE 429 -15.050 -12.381 -24.898 933 HG23 ILE 429 3HG2 ILE 429 -15.525 -11.461 -23.467 934 HD11 ILE 429 1HD1 ILE 429 -13.325 -10.452 -22.598 935 HD12 ILE 429 2HD1 ILE 429 -13.362 -10.676 -24.349 936 HD13 ILE 429 3HD1 ILE 429 -11.818 -10.570 -23.505 937 H ASP 430 H ASP 430 -16.417 -11.438 -21.526 938 HA ASP 430 HA ASP 430 -14.939 -9.202 -20.675 939 HB2 ASP 430 2HB ASP 430 -17.056 -9.040 -21.890 940 HB3 ASP 430 1HB ASP 430 -17.929 -9.759 -20.543 941 H GLU 431 H GLU 431 -16.741 -11.624 -18.891 942 HA GLU 431 HA GLU 431 -16.854 -10.260 -16.379 943 HB2 GLU 431 2HB GLU 431 -17.226 -13.219 -17.035 944 HB3 GLU 431 1HB GLU 431 -17.653 -12.455 -15.503 945 HG2 GLU 431 2HG GLU 431 -19.329 -11.056 -16.642 946 HG3 GLU 431 1HG GLU 431 -18.887 -11.770 -18.196 947 H THR 432 H THR 432 -14.831 -12.958 -17.642 948 HA THR 432 HA THR 432 -13.294 -13.221 -15.258 949 HB THR 432 HB THR 432 -13.501 -15.108 -16.820 950 HG1 THR 432 HG1 THR 432 -11.552 -14.699 -15.421 951 HG21 THR 432 1HG2 THR 432 -11.696 -13.542 -18.696 952 HG22 THR 432 2HG2 THR 432 -13.394 -13.929 -18.984 953 HG23 THR 432 3HG2 THR 432 -12.195 -15.221 -18.907 954 H VAL 433 H VAL 433 -12.791 -11.364 -18.237 955 HA VAL 433 HA VAL 433 -10.206 -10.356 -17.683 956 HB VAL 433 HB VAL 433 -12.468 -9.185 -19.375 957 HG11 VAL 433 1HG1 VAL 433 -10.772 -7.684 -20.402 958 HG12 VAL 433 2HG1 VAL 433 -9.582 -8.224 -19.215 959 HG13 VAL 433 3HG1 VAL 433 -11.007 -7.329 -18.687 960 HG21 VAL 433 1HG2 VAL 433 -11.132 -9.993 -21.286 961 HG22 VAL 433 2HG2 VAL 433 -11.553 -11.317 -20.199 962 HG23 VAL 433 3HG2 VAL 433 -9.923 -10.645 -20.173 963 H ALA 434 H ALA 434 -13.466 -9.086 -16.995 964 HA ALA 434 HA ALA 434 -12.753 -6.621 -15.887 965 HB1 ALA 434 1HB ALA 434 -15.004 -6.603 -14.887 966 HB2 ALA 434 2HB ALA 434 -15.176 -8.325 -15.244 967 HB3 ALA 434 3HB ALA 434 -15.044 -7.159 -16.561 968 H ARG 435 H ARG 435 -13.047 -9.824 -14.379 969 HA ARG 435 HA ARG 435 -12.730 -8.957 -11.687 970 HB2 ARG 435 2HB ARG 435 -12.212 -11.683 -12.947 971 HB3 ARG 435 1HB ARG 435 -12.191 -11.378 -11.212 972 HG2 ARG 435 2HG ARG 435 -14.574 -11.122 -13.071 973 HG3 ARG 435 1HG ARG 435 -14.330 -12.345 -11.825 974 HD2 ARG 435 2HD ARG 435 -14.528 -10.646 -10.065 975 HD3 ARG 435 1HD ARG 435 -14.617 -9.364 -11.276 976 HE ARG 435 HE ARG 435 -16.668 -11.408 -11.424 977 HH11 ARG 435 1HH1 ARG 435 -15.840 -8.220 -10.196 978 HH12 ARG 435 2HH1 ARG 435 -17.491 -7.732 -9.985 979 HH21 ARG 435 1HH2 ARG 435 -18.812 -10.803 -11.158 980 HH22 ARG 435 2HH2 ARG 435 -19.208 -9.228 -10.542 981 H TYR 436 H TYR 436 -10.380 -10.476 -13.958 982 HA TYR 436 HA TYR 436 -8.181 -10.290 -12.174 983 HB2 TYR 436 2HB TYR 436 -8.198 -10.597 -15.199 984 HB3 TYR 436 1HB TYR 436 -6.755 -10.753 -14.199 985 HD1 TYR 436 HD1 TYR 436 -7.927 -12.288 -11.857 986 HD2 TYR 436 HD2 TYR 436 -8.390 -12.811 -16.081 987 HE1 TYR 436 HE1 TYR 436 -8.377 -14.678 -11.518 988 HE2 TYR 436 HE2 TYR 436 -8.839 -15.199 -15.732 989 HH TYR 436 HH TYR 436 -9.432 -16.515 -12.618 990 H LYS 437 H LYS 437 -9.394 -8.079 -14.619 991 HA LYS 437 HA LYS 437 -7.138 -6.325 -14.671 992 HB2 LYS 437 2HB LYS 437 -8.666 -6.449 -16.584 993 HB3 LYS 437 1HB LYS 437 -10.012 -5.889 -15.599 994 HG2 LYS 437 2HG LYS 437 -8.979 -3.686 -15.361 995 HG3 LYS 437 1HG LYS 437 -7.536 -4.235 -16.218 996 HD2 LYS 437 2HD LYS 437 -8.822 -4.525 -18.286 997 HD3 LYS 437 1HD LYS 437 -10.322 -4.127 -17.442 998 HE2 LYS 437 2HE LYS 437 -9.530 -2.215 -18.750 999 HE3 LYS 437 1HE LYS 437 -9.480 -1.842 -17.026 1000 HZ1 LYS 437 1HZ LYS 437 -7.492 -1.071 -18.127 1001 HZ2 LYS 437 2HZ LYS 437 -7.162 -2.617 -18.721 1002 HZ3 LYS 437 3HZ LYS 437 -7.088 -2.320 -17.060 1003 H ALA 438 H ALA 438 -10.243 -6.347 -12.920 1004 HA ALA 438 HA ALA 438 -9.936 -3.819 -11.648 1005 HB1 ALA 438 1HB ALA 438 -12.109 -4.958 -11.768 1006 HB2 ALA 438 2HB ALA 438 -11.687 -4.562 -10.100 1007 HB3 ALA 438 3HB ALA 438 -11.526 -6.221 -10.688 1008 H GLN 439 H GLN 439 -9.277 -7.155 -10.479 1009 HA GLN 439 HA GLN 439 -8.274 -6.447 -7.946 1010 HB2 GLN 439 2HB GLN 439 -7.544 -8.897 -9.606 1011 HB3 GLN 439 1HB GLN 439 -7.272 -8.714 -7.881 1012 HG2 GLN 439 2HG GLN 439 -9.933 -8.969 -9.299 1013 HG3 GLN 439 1HG GLN 439 -9.180 -10.138 -8.222 1014 HE21 GLN 439 1HE2 GLN 439 -11.024 -7.216 -8.440 1015 HE22 GLN 439 2HE2 GLN 439 -11.394 -7.074 -6.762 1016 H PHE 440 H PHE 440 -6.654 -6.906 -11.073 1017 HA PHE 440 HA PHE 440 -3.991 -6.573 -10.277 1018 HB2 PHE 440 2HB PHE 440 -4.625 -7.410 -12.517 1019 HB3 PHE 440 1HB PHE 440 -5.267 -5.829 -12.947 1020 HD1 PHE 440 HD1 PHE 440 -2.121 -7.609 -11.986 1021 HD2 PHE 440 HD2 PHE 440 -3.820 -4.187 -13.912 1022 HE1 PHE 440 HE1 PHE 440 0.102 -6.965 -12.813 1023 HE2 PHE 440 HE2 PHE 440 -1.595 -3.555 -14.735 1024 HZ PHE 440 HZ PHE 440 0.370 -4.936 -14.186 1025 H THR 441 H THR 441 -6.179 -4.101 -11.711 1026 HA THR 441 HA THR 441 -4.445 -1.920 -11.565 1027 HB THR 441 HB THR 441 -7.498 -1.923 -11.550 1028 HG1 THR 441 HG1 THR 441 -6.316 -2.987 -13.338 1029 HG21 THR 441 1HG2 THR 441 -6.641 0.323 -10.935 1030 HG22 THR 441 2HG2 THR 441 -7.333 0.339 -12.556 1031 HG23 THR 441 3HG2 THR 441 -5.581 0.313 -12.348 1032 H GLN 442 H GLN 442 -6.735 -3.129 -9.152 1033 HA GLN 442 HA GLN 442 -6.644 -0.898 -7.372 1034 HB2 GLN 442 2HB GLN 442 -7.500 -3.792 -7.009 1035 HB3 GLN 442 1HB GLN 442 -7.626 -2.600 -5.716 1036 HG2 GLN 442 2HG GLN 442 -9.223 -1.296 -6.938 1037 HG3 GLN 442 1HG GLN 442 -8.934 -2.204 -8.420 1038 HE21 GLN 442 1HE2 GLN 442 -8.978 -4.824 -7.193 1039 HE22 GLN 442 2HE2 GLN 442 -10.608 -5.143 -6.733 1040 H LEU 443 H LEU 443 -5.015 -4.099 -7.265 1041 HA LEU 443 HA LEU 443 -3.375 -3.435 -4.997 1042 HB2 LEU 443 2HB LEU 443 -3.358 -5.725 -6.977 1043 HB3 LEU 443 1HB LEU 443 -2.072 -5.556 -5.803 1044 HG LEU 443 HG LEU 443 -3.716 -5.841 -3.948 1045 HD11 LEU 443 1HD1 LEU 443 -5.795 -6.447 -6.061 1046 HD12 LEU 443 2HD1 LEU 443 -5.746 -4.983 -5.082 1047 HD13 LEU 443 3HD1 LEU 443 -5.992 -6.546 -4.309 1048 HD21 LEU 443 1HD2 LEU 443 -4.115 -8.248 -4.276 1049 HD22 LEU 443 2HD2 LEU 443 -2.503 -7.788 -4.821 1050 HD23 LEU 443 3HD2 LEU 443 -3.782 -8.075 -6.004 1051 H ASP 444 H ASP 444 -3.149 -2.756 -8.348 1052 HA ASP 444 HA ASP 444 -0.270 -2.520 -8.585 1053 HB2 ASP 444 2HB ASP 444 -1.574 -3.198 -10.546 1054 HB3 ASP 444 1HB ASP 444 -2.550 -1.736 -10.460 1055 H THR 445 H THR 445 -3.028 -0.203 -8.524 1056 HA THR 445 HA THR 445 -1.408 2.128 -8.407 1057 HB THR 445 HB THR 445 -3.761 2.303 -9.098 1058 HG1 THR 445 HG1 THR 445 -3.227 3.783 -6.704 1059 HG21 THR 445 1HG2 THR 445 -4.776 0.638 -7.562 1060 HG22 THR 445 2HG2 THR 445 -5.620 2.185 -7.509 1061 HG23 THR 445 3HG2 THR 445 -4.516 1.740 -6.207 1062 H MET 446 H MET 446 -2.761 -0.057 -5.964 1063 HA MET 446 HA MET 446 -1.960 1.268 -3.639 1064 HB2 MET 446 2HB MET 446 -3.375 -0.813 -3.646 1065 HB3 MET 446 1HB MET 446 -1.950 -1.756 -4.073 1066 HG2 MET 446 2HG MET 446 -0.871 -1.048 -1.959 1067 HG3 MET 446 1HG MET 446 -2.326 -0.144 -1.533 1068 HE1 MET 446 1HE MET 446 -2.441 -3.121 0.992 1069 HE2 MET 446 2HE MET 446 -2.501 -1.372 0.805 1070 HE3 MET 446 3HE MET 446 -1.012 -2.248 0.440 1071 H MET 447 H MET 447 -0.188 -0.985 -5.759 1072 HA MET 447 HA MET 447 2.147 -1.184 -4.193 1073 HB2 MET 447 2HB MET 447 1.730 -2.885 -5.831 1074 HB3 MET 447 1HB MET 447 1.726 -1.721 -7.150 1075 HG2 MET 447 2HG MET 447 4.084 -1.429 -7.055 1076 HG3 MET 447 1HG MET 447 4.199 -2.152 -5.450 1077 HE1 MET 447 1HE MET 447 2.389 -4.687 -5.680 1078 HE2 MET 447 2HE MET 447 3.990 -4.658 -4.934 1079 HE3 MET 447 3HE MET 447 3.597 -5.882 -6.135 1080 H SER 448 H SER 448 1.514 0.796 -7.096 1081 HA SER 448 HA SER 448 4.035 1.975 -7.332 1082 HB2 SER 448 2HB SER 448 2.773 3.785 -8.600 1083 HB3 SER 448 1HB SER 448 2.456 2.134 -9.140 1084 HG SER 448 HG SER 448 0.450 2.387 -8.620 1085 H LYS 449 H LYS 449 1.155 3.055 -5.536 1086 HA LYS 449 HA LYS 449 2.380 5.409 -4.473 1087 HB2 LYS 449 2HB LYS 449 -0.129 3.904 -3.666 1088 HB3 LYS 449 1HB LYS 449 0.383 5.408 -2.902 1089 HG2 LYS 449 2HG LYS 449 0.264 6.567 -5.091 1090 HG3 LYS 449 1HG LYS 449 -0.258 5.060 -5.851 1091 HD2 LYS 449 2HD LYS 449 -2.193 6.505 -5.451 1092 HD3 LYS 449 1HD LYS 449 -2.297 5.064 -4.440 1093 HE2 LYS 449 2HE LYS 449 -1.565 6.324 -2.490 1094 HE3 LYS 449 1HE LYS 449 -1.291 7.760 -3.480 1095 HZ1 LYS 449 1HZ LYS 449 -3.915 6.468 -2.962 1096 HZ2 LYS 449 2HZ LYS 449 -3.670 7.787 -3.987 1097 HZ3 LYS 449 3HZ LYS 449 -3.375 7.941 -2.334 1098 H LEU 450 H LEU 450 2.065 2.051 -3.214 1099 HA LEU 450 HA LEU 450 2.997 2.809 -0.596 1100 HB2 LEU 450 2HB LEU 450 2.860 0.546 0.092 1101 HB3 LEU 450 1HB LEU 450 1.483 0.864 -0.924 1102 HG LEU 450 HG LEU 450 2.778 -0.410 -2.781 1103 HD11 LEU 450 1HD1 LEU 450 4.373 -2.135 -2.039 1104 HD12 LEU 450 2HD1 LEU 450 4.385 -1.430 -0.420 1105 HD13 LEU 450 3HD1 LEU 450 5.009 -0.510 -1.789 1106 HD21 LEU 450 1HD2 LEU 450 1.791 -1.932 -0.350 1107 HD22 LEU 450 2HD2 LEU 450 1.957 -2.583 -1.984 1108 HD23 LEU 450 3HD2 LEU 450 0.792 -1.303 -1.662 1109 H ASN 451 H ASN 451 4.534 1.952 -3.529 1110 HA ASN 451 HA ASN 451 7.124 1.327 -2.386 1111 HB2 ASN 451 2HB ASN 451 6.290 0.378 -4.581 1112 HB3 ASN 451 1HB ASN 451 6.405 1.982 -5.292 1113 HD21 ASN 451 1HD2 ASN 451 8.456 2.817 -5.778 1114 HD22 ASN 451 2HD2 ASN 451 9.879 1.834 -5.779 1115 H ASN 452 H ASN 452 5.532 4.100 -3.947 1116 HA ASN 452 HA ASN 452 7.652 5.983 -3.822 1117 HB2 ASN 452 2HB ASN 452 5.619 6.359 -5.200 1118 HB3 ASN 452 1HB ASN 452 4.629 6.432 -3.745 1119 HD21 ASN 452 1HD2 ASN 452 3.895 8.500 -4.029 1120 HD22 ASN 452 2HD2 ASN 452 4.903 9.904 -3.988 1121 H THR 453 H THR 453 5.074 5.099 -1.526 1122 HA THR 453 HA THR 453 5.587 7.140 0.361 1123 HB THR 453 HB THR 453 4.287 5.682 1.990 1124 HG1 THR 453 HG1 THR 453 3.994 3.690 1.487 1125 HG21 THR 453 1HG2 THR 453 3.072 7.325 0.595 1126 HG22 THR 453 2HG2 THR 453 2.106 5.868 0.842 1127 HG23 THR 453 3HG2 THR 453 2.928 6.134 -0.696 1128 H SER 454 H SER 454 6.366 3.605 0.516 1129 HA SER 454 HA SER 454 7.946 3.627 2.776 1130 HB2 SER 454 2HB SER 454 9.000 1.530 1.872 1131 HB3 SER 454 1HB SER 454 7.240 1.528 1.783 1132 HG SER 454 HG SER 454 7.354 1.400 -0.289 1133 H SER 455 H SER 455 8.904 4.479 -0.531 1134 HA SER 455 HA SER 455 11.654 4.812 -0.201 1135 HB2 SER 455 2HB SER 455 10.547 5.003 -2.383 1136 HB3 SER 455 1HB SER 455 9.724 6.474 -1.867 1137 HG SER 455 HG SER 455 11.475 7.575 -2.281 1138 H TYR 456 H TYR 456 9.227 7.532 0.003 1139 HA TYR 456 HA TYR 456 11.195 9.217 1.250 1140 HB2 TYR 456 2HB TYR 456 9.410 10.934 1.482 1141 HB3 TYR 456 1HB TYR 456 9.640 10.343 -0.149 1142 HD1 TYR 456 HD1 TYR 456 7.409 9.496 2.811 1143 HD2 TYR 456 HD2 TYR 456 7.675 10.167 -1.405 1144 HE1 TYR 456 HE1 TYR 456 4.973 9.295 2.614 1145 HE2 TYR 456 HE2 TYR 456 5.235 9.950 -1.591 1146 HH TYR 456 HH TYR 456 3.370 8.963 -0.360 1147 H LEU 457 H LEU 457 9.041 6.935 2.564 1148 HA LEU 457 HA LEU 457 8.747 8.037 5.185 1149 HB2 LEU 457 2HB LEU 457 8.363 5.216 4.123 1150 HB3 LEU 457 1HB LEU 457 8.125 5.621 5.814 1151 HG LEU 457 HG LEU 457 6.501 6.700 3.475 1152 HD11 LEU 457 1HD1 LEU 457 5.987 4.361 4.003 1153 HD12 LEU 457 2HD1 LEU 457 4.645 5.410 4.451 1154 HD13 LEU 457 3HD1 LEU 457 5.726 4.779 5.698 1155 HD21 LEU 457 1HD2 LEU 457 6.725 8.418 5.179 1156 HD22 LEU 457 2HD2 LEU 457 6.226 7.283 6.435 1157 HD23 LEU 457 3HD2 LEU 457 5.087 7.771 5.180 1158 H THR 458 H THR 458 10.947 5.623 3.700 1159 HA THR 458 HA THR 458 12.338 5.091 6.155 1160 HB THR 458 HB THR 458 12.231 3.431 4.276 1161 HG1 THR 458 HG1 THR 458 14.836 4.166 5.194 1162 HG21 THR 458 1HG2 THR 458 13.880 3.565 2.439 1163 HG22 THR 458 2HG2 THR 458 14.321 5.195 2.949 1164 HG23 THR 458 3HG2 THR 458 12.697 4.870 2.341 1165 H GLN 459 H GLN 459 12.838 7.324 3.453 1166 HA GLN 459 HA GLN 459 15.399 8.302 4.203 1167 HB2 GLN 459 2HB GLN 459 13.122 9.732 2.770 1168 HB3 GLN 459 1HB GLN 459 14.784 10.312 2.844 1169 HG2 GLN 459 2HG GLN 459 15.551 8.366 1.579 1170 HG3 GLN 459 1HG GLN 459 13.920 7.705 1.568 1171 HE21 GLN 459 1HE2 GLN 459 12.641 10.322 1.054 1172 HE22 GLN 459 2HE2 GLN 459 12.965 10.670 -0.605 1173 H GLN 460 H GLN 460 12.134 9.534 4.926 1174 HA GLN 460 HA GLN 460 12.832 11.537 6.778 1175 HB2 GLN 460 2HB GLN 460 10.627 11.484 5.704 1176 HB3 GLN 460 1HB GLN 460 10.262 9.935 6.453 1177 HG2 GLN 460 2HG GLN 460 9.045 11.715 7.583 1178 HG3 GLN 460 1HG GLN 460 10.233 11.015 8.680 1179 HE21 GLN 460 1HE2 GLN 460 11.982 12.300 9.350 1180 HE22 GLN 460 2HE2 GLN 460 12.027 14.007 9.107 1181 H PHE 461 H PHE 461 12.360 8.054 7.157 1182 HA PHE 461 HA PHE 461 12.165 7.974 9.988 1183 HB2 PHE 461 2HB PHE 461 11.464 6.050 8.657 1184 HB3 PHE 461 1HB PHE 461 13.088 5.841 8.014 1185 HD1 PHE 461 HD1 PHE 461 11.750 6.298 11.518 1186 HD2 PHE 461 HD2 PHE 461 13.970 3.810 8.831 1187 HE1 PHE 461 HE1 PHE 461 12.261 4.754 13.355 1188 HE2 PHE 461 HE2 PHE 461 14.472 2.271 10.683 1189 HZ PHE 461 HZ PHE 461 13.622 2.744 12.947 1190 H THR 462 H THR 462 14.929 7.488 7.775 1191 HA THR 462 HA THR 462 16.896 7.007 9.725 1192 HB THR 462 HB THR 462 17.312 8.215 6.952 1193 HG1 THR 462 HG1 THR 462 16.546 6.367 6.299 1194 HG21 THR 462 1HG2 THR 462 19.362 8.224 8.371 1195 HG22 THR 462 2HG2 THR 462 19.501 7.095 7.022 1196 HG23 THR 462 3HG2 THR 462 19.162 6.490 8.645 1197 H ALA 463 H ALA 463 15.747 10.027 8.235 1198 HA ALA 463 HA ALA 463 17.713 11.748 9.432 1199 HB1 ALA 463 1HB ALA 463 16.525 12.356 7.368 1200 HB2 ALA 463 2HB ALA 463 16.296 13.580 8.618 1201 HB3 ALA 463 3HB ALA 463 15.001 12.435 8.252 1202 H MET 464 H MET 464 14.265 11.117 10.176 1203 HA MET 464 HA MET 464 13.989 12.862 12.380 1204 HB2 MET 464 2HB MET 464 12.031 11.980 11.170 1205 HB3 MET 464 1HB MET 464 12.414 10.346 11.680 1206 HG2 MET 464 2HG MET 464 11.998 11.071 14.058 1207 HG3 MET 464 1HG MET 464 11.439 12.619 13.425 1208 HE1 MET 464 1HE MET 464 9.800 11.851 10.795 1209 HE2 MET 464 2HE MET 464 9.160 12.928 12.039 1210 HE3 MET 464 3HE MET 464 8.190 11.576 11.465 1211 H ASN 465 H ASN 465 15.007 9.507 12.155 1212 HA ASN 465 HA ASN 465 15.079 8.997 14.994 1213 HB2 ASN 465 2HB ASN 465 14.719 7.221 13.210 1214 HB3 ASN 465 1HB ASN 465 16.406 7.399 12.751 1215 HD21 ASN 465 1HD2 ASN 465 15.132 5.029 13.614 1216 HD22 ASN 465 2HD2 ASN 465 15.890 4.511 15.077 1217 H LYS 466 H LYS 466 17.707 9.111 12.505 1218 HA LYS 466 HA LYS 466 19.463 10.437 14.500 1219 HB2 LYS 466 2HB LYS 466 21.416 9.218 13.519 1220 HB3 LYS 466 1HB LYS 466 20.280 8.185 14.362 1221 HG2 LYS 466 2HG LYS 466 20.177 8.447 11.352 1222 HG3 LYS 466 1HG LYS 466 21.334 7.363 12.117 1223 HD2 LYS 466 2HD LYS 466 18.314 7.218 12.486 1224 HD3 LYS 466 1HD LYS 466 19.241 6.220 11.367 1225 HE2 LYS 466 2HE LYS 466 19.555 6.238 14.388 1226 HE3 LYS 466 1HE LYS 466 18.736 4.998 13.443 1227 HZ1 LYS 466 1HZ LYS 466 21.620 5.681 13.271 1228 HZ2 LYS 466 2HZ LYS 466 20.835 4.496 12.356 1229 HZ3 LYS 466 3HZ LYS 466 20.962 4.327 14.030 1230 H SER 467 H SER 467 18.439 12.369 13.349 1231 HA SER 467 HA SER 467 19.434 13.486 11.065 1232 HB2 SER 467 2HB SER 467 19.359 14.863 13.793 1233 HB3 SER 467 1HB SER 467 19.367 15.673 12.225 1234 HG SER 467 HG SER 467 17.378 13.793 12.885 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.998 21.586 21.561 2 H2 MET 1 2H MET 1 -0.727 21.239 22.613 3 H3 MET 1 3H MET 1 -1.706 19.996 22.026 4 HA MET 1 HA MET 1 -0.020 21.713 20.334 5 HB2 MET 1 2HB MET 1 1.497 19.701 20.184 6 HB3 MET 1 1HB MET 1 1.467 20.459 21.764 7 HG2 MET 1 2HG MET 1 -0.027 18.668 22.594 8 HG3 MET 1 1HG MET 1 0.021 17.906 21.001 9 HE1 MET 1 1HE MET 1 0.865 15.590 21.902 10 HE2 MET 1 2HE MET 1 0.718 16.216 23.546 11 HE3 MET 1 3HE MET 1 2.202 15.409 23.037 12 H THR 2 H THR 2 -1.492 21.908 18.662 13 HA THR 2 HA THR 2 -3.333 19.926 17.828 14 HB THR 2 HB THR 2 -3.655 21.443 15.797 15 HG1 THR 2 HG1 THR 2 -2.254 22.997 15.439 16 HG21 THR 2 1HG2 THR 2 -5.011 21.776 17.839 17 HG22 THR 2 2HG2 THR 2 -4.629 23.320 17.075 18 HG23 THR 2 3HG2 THR 2 -3.749 22.810 18.517 19 H SER 3 H SER 3 -0.437 21.149 16.158 20 HA SER 3 HA SER 3 -0.542 19.335 13.992 21 HB2 SER 3 2HB SER 3 1.791 20.999 15.022 22 HB3 SER 3 1HB SER 3 1.676 20.260 13.423 23 HG SER 3 HG SER 3 -0.476 21.593 13.513 24 H THR 4 H THR 4 1.006 19.223 17.133 25 HA THR 4 HA THR 4 2.720 16.992 16.566 26 HB THR 4 HB THR 4 1.931 18.174 19.260 27 HG1 THR 4 HG1 THR 4 4.300 18.947 18.755 28 HG21 THR 4 1HG2 THR 4 2.897 15.904 19.505 29 HG22 THR 4 2HG2 THR 4 4.017 17.133 20.094 30 HG23 THR 4 3HG2 THR 4 4.282 16.383 18.522 31 H VAL 5 H VAL 5 -0.521 17.334 18.110 32 HA VAL 5 HA VAL 5 -0.558 14.594 19.013 33 HB VAL 5 HB VAL 5 -1.904 16.399 20.152 34 HG11 VAL 5 1HG1 VAL 5 -2.825 17.543 18.193 35 HG12 VAL 5 2HG1 VAL 5 -4.113 17.032 19.281 36 HG13 VAL 5 3HG1 VAL 5 -3.800 16.125 17.797 37 HG21 VAL 5 1HG2 VAL 5 -3.478 13.936 19.279 38 HG22 VAL 5 2HG2 VAL 5 -3.848 14.949 20.677 39 HG23 VAL 5 3HG2 VAL 5 -2.346 14.029 20.633 40 H GLU 6 H GLU 6 -1.858 16.297 16.143 41 HA GLU 6 HA GLU 6 -3.206 14.046 15.015 42 HB2 GLU 6 2HB GLU 6 -3.259 15.313 12.926 43 HB3 GLU 6 1HB GLU 6 -3.644 16.377 14.272 44 HG2 GLU 6 2HG GLU 6 -1.363 17.289 14.216 45 HG3 GLU 6 1HG GLU 6 -0.949 16.214 12.887 46 H PHE 7 H PHE 7 0.103 15.312 14.715 47 HA PHE 7 HA PHE 7 1.276 13.496 12.977 48 HB2 PHE 7 2HB PHE 7 2.420 15.474 13.803 49 HB3 PHE 7 1HB PHE 7 2.339 14.906 15.455 50 HD1 PHE 7 HD1 PHE 7 4.095 14.553 12.227 51 HD2 PHE 7 HD2 PHE 7 3.961 13.324 16.320 52 HE1 PHE 7 HE1 PHE 7 6.387 13.678 12.064 53 HE2 PHE 7 HE2 PHE 7 6.250 12.458 16.129 54 HZ PHE 7 HZ PHE 7 7.463 12.644 14.001 55 H ILE 8 H ILE 8 1.144 13.198 16.561 56 HA ILE 8 HA ILE 8 2.317 10.696 16.917 57 HB ILE 8 HB ILE 8 0.130 12.040 18.586 58 HG12 ILE 8 2HG1 ILE 8 3.140 11.994 19.072 59 HG13 ILE 8 1HG1 ILE 8 2.281 13.330 18.321 60 HG21 ILE 8 1HG2 ILE 8 1.945 9.731 19.384 61 HG22 ILE 8 2HG2 ILE 8 0.201 9.652 19.138 62 HG23 ILE 8 3HG2 ILE 8 0.856 10.597 20.472 63 HD11 ILE 8 1HD1 ILE 8 1.913 12.324 21.134 64 HD12 ILE 8 2HD1 ILE 8 0.970 13.616 20.385 65 HD13 ILE 8 3HD1 ILE 8 2.704 13.815 20.625 66 H ASN 9 H ASN 9 -1.146 11.492 16.839 67 HA ASN 9 HA ASN 9 -2.126 8.925 17.365 68 HB2 ASN 9 2HB ASN 9 -3.458 11.394 16.191 69 HB3 ASN 9 1HB ASN 9 -4.347 9.903 16.484 70 HD21 ASN 9 1HD2 ASN 9 -1.784 11.142 18.657 71 HD22 ASN 9 2HD2 ASN 9 -2.850 11.474 19.970 72 H ARG 10 H ARG 10 -1.837 10.699 14.267 73 HA ARG 10 HA ARG 10 -3.067 8.615 12.748 74 HB2 ARG 10 2HB ARG 10 -1.386 10.948 11.772 75 HB3 ARG 10 1HB ARG 10 -2.320 9.866 10.735 76 HG2 ARG 10 2HG ARG 10 -4.410 10.597 11.834 77 HG3 ARG 10 1HG ARG 10 -3.481 11.668 12.890 78 HD2 ARG 10 2HD ARG 10 -3.766 11.875 9.879 79 HD3 ARG 10 1HD ARG 10 -4.428 12.974 11.094 80 HE ARG 10 HE ARG 10 -1.530 12.663 11.072 81 HH11 ARG 10 1HH1 ARG 10 -4.246 14.676 10.075 82 HH12 ARG 10 2HH1 ARG 10 -3.245 16.069 9.802 83 HH21 ARG 10 1HH2 ARG 10 -0.259 14.489 10.706 84 HH22 ARG 10 2HH2 ARG 10 -1.003 15.958 10.159 85 H TRP 11 H TRP 11 0.373 9.438 13.414 86 HA TRP 11 HA TRP 11 1.565 7.510 11.733 87 HB2 TRP 11 2HB TRP 11 2.477 8.834 14.293 88 HB3 TRP 11 1HB TRP 11 3.395 7.452 13.711 89 HD1 TRP 11 HD1 TRP 11 3.546 11.040 13.539 90 HE1 TRP 11 HE1 TRP 11 4.930 11.844 11.545 91 HE3 TRP 11 HE3 TRP 11 3.644 6.726 10.784 92 HZ2 TRP 11 HZ2 TRP 11 5.955 10.838 9.160 93 HZ3 TRP 11 HZ3 TRP 11 4.860 6.741 8.642 94 HH2 TRP 11 HH2 TRP 11 5.992 8.766 7.858 95 H GLN 12 H GLN 12 0.348 7.222 15.054 96 HA GLN 12 HA GLN 12 0.948 4.533 15.563 97 HB2 GLN 12 2HB GLN 12 0.118 6.115 17.292 98 HB3 GLN 12 1HB GLN 12 -1.461 6.153 16.514 99 HG2 GLN 12 2HG GLN 12 -1.787 3.770 17.023 100 HG3 GLN 12 1HG GLN 12 -0.175 3.700 17.742 101 HE21 GLN 12 1HE2 GLN 12 -0.950 3.078 19.758 102 HE22 GLN 12 2HE2 GLN 12 -1.835 4.135 20.799 103 H ARG 13 H ARG 13 -1.881 6.029 14.011 104 HA ARG 13 HA ARG 13 -3.346 3.631 13.580 105 HB2 ARG 13 2HB ARG 13 -3.559 6.271 12.078 106 HB3 ARG 13 1HB ARG 13 -4.742 4.968 12.030 107 HG2 ARG 13 2HG ARG 13 -4.037 6.706 14.406 108 HG3 ARG 13 1HG ARG 13 -5.541 6.717 13.492 109 HD2 ARG 13 2HD ARG 13 -6.106 4.490 14.325 110 HD3 ARG 13 1HD ARG 13 -4.546 4.371 15.150 111 HE ARG 13 HE ARG 13 -6.097 6.659 15.968 112 HH11 ARG 13 1HH1 ARG 13 -5.597 3.218 16.555 113 HH12 ARG 13 2HH1 ARG 13 -6.226 3.283 18.167 114 HH21 ARG 13 1HH2 ARG 13 -6.938 6.714 18.062 115 HH22 ARG 13 2HH2 ARG 13 -6.991 5.276 19.026 116 H ILE 14 H ILE 14 -0.873 5.295 11.686 117 HA ILE 14 HA ILE 14 -1.204 3.939 9.216 118 HB ILE 14 HB ILE 14 1.251 5.299 10.447 119 HG12 ILE 14 2HG1 ILE 14 -0.559 6.258 8.176 120 HG13 ILE 14 1HG1 ILE 14 -0.741 6.751 9.851 121 HG21 ILE 14 1HG2 ILE 14 0.955 4.311 7.580 122 HG22 ILE 14 2HG2 ILE 14 2.035 3.642 8.804 123 HG23 ILE 14 3HG2 ILE 14 2.292 5.278 8.208 124 HD11 ILE 14 1HD1 ILE 14 1.652 7.296 8.104 125 HD12 ILE 14 2HD1 ILE 14 1.475 7.785 9.791 126 HD13 ILE 14 3HD1 ILE 14 0.396 8.444 8.564 127 H ALA 15 H ALA 15 0.824 3.294 12.069 128 HA ALA 15 HA ALA 15 2.120 0.945 11.133 129 HB1 ALA 15 1HB ALA 15 2.747 0.619 13.487 130 HB2 ALA 15 2HB ALA 15 1.565 1.835 13.980 131 HB3 ALA 15 3HB ALA 15 2.957 2.301 13.002 132 H LEU 16 H LEU 16 -0.794 1.443 13.102 133 HA LEU 16 HA LEU 16 -1.472 -1.233 13.639 134 HB2 LEU 16 2HB LEU 16 -3.203 1.260 13.415 135 HB3 LEU 16 1HB LEU 16 -3.823 -0.282 13.988 136 HG LEU 16 HG LEU 16 -1.560 1.247 15.347 137 HD11 LEU 16 1HD1 LEU 16 -4.484 1.147 16.153 138 HD12 LEU 16 2HD1 LEU 16 -3.638 2.543 15.480 139 HD13 LEU 16 3HD1 LEU 16 -3.175 1.915 17.059 140 HD21 LEU 16 1HD2 LEU 16 -1.949 -0.276 17.240 141 HD22 LEU 16 2HD2 LEU 16 -1.474 -1.157 15.791 142 HD23 LEU 16 3HD2 LEU 16 -3.165 -1.148 16.302 143 H LEU 17 H LEU 17 -2.486 0.938 11.008 144 HA LEU 17 HA LEU 17 -4.239 -0.832 9.673 145 HB2 LEU 17 2HB LEU 17 -2.739 1.632 8.690 146 HB3 LEU 17 1HB LEU 17 -3.839 0.730 7.657 147 HG LEU 17 HG LEU 17 -4.678 2.036 10.277 148 HD11 LEU 17 1HD1 LEU 17 -5.091 3.081 7.457 149 HD12 LEU 17 2HD1 LEU 17 -3.973 3.742 8.651 150 HD13 LEU 17 3HD1 LEU 17 -5.707 3.804 8.947 151 HD21 LEU 17 1HD2 LEU 17 -6.348 0.831 8.041 152 HD22 LEU 17 2HD2 LEU 17 -6.973 1.667 9.467 153 HD23 LEU 17 3HD2 LEU 17 -6.103 0.148 9.652 154 H SER 18 H SER 18 -0.822 0.035 8.989 155 HA SER 18 HA SER 18 -0.438 -1.422 6.665 156 HB2 SER 18 2HB SER 18 2.016 -1.337 7.236 157 HB3 SER 18 1HB SER 18 1.206 0.218 7.402 158 HG SER 18 HG SER 18 2.217 -1.483 9.369 159 H GLN 19 H GLN 19 0.085 -2.428 10.033 160 HA GLN 19 HA GLN 19 0.973 -5.068 9.574 161 HB2 GLN 19 2HB GLN 19 1.213 -3.936 11.738 162 HB3 GLN 19 1HB GLN 19 -0.535 -3.865 11.936 163 HG2 GLN 19 2HG GLN 19 -0.606 -6.344 12.058 164 HG3 GLN 19 1HG GLN 19 1.152 -6.389 11.907 165 HE21 GLN 19 1HE2 GLN 19 -0.672 -4.005 13.808 166 HE22 GLN 19 2HE2 GLN 19 -0.112 -4.542 15.347 167 H SER 20 H SER 20 -2.306 -3.801 10.191 168 HA SER 20 HA SER 20 -3.647 -6.289 10.322 169 HB2 SER 20 2HB SER 20 -4.765 -3.514 9.730 170 HB3 SER 20 1HB SER 20 -5.736 -4.938 10.129 171 HG SER 20 HG SER 20 -3.745 -3.765 11.767 172 H LEU 21 H LEU 21 -3.228 -4.008 7.616 173 HA LEU 21 HA LEU 21 -4.864 -5.595 5.846 174 HB2 LEU 21 2HB LEU 21 -4.401 -3.868 4.144 175 HB3 LEU 21 1HB LEU 21 -5.072 -3.234 5.629 176 HG LEU 21 HG LEU 21 -2.622 -2.578 6.234 177 HD11 LEU 21 1HD1 LEU 21 -1.132 -2.095 4.357 178 HD12 LEU 21 2HD1 LEU 21 -2.249 -2.905 3.255 179 HD13 LEU 21 3HD1 LEU 21 -1.438 -3.823 4.525 180 HD21 LEU 21 1HD2 LEU 21 -4.079 -1.107 4.020 181 HD22 LEU 21 2HD2 LEU 21 -2.820 -0.430 5.059 182 HD23 LEU 21 3HD2 LEU 21 -4.354 -0.936 5.756 183 H LEU 22 H LEU 22 -1.457 -5.354 6.588 184 HA LEU 22 HA LEU 22 -0.417 -6.806 4.397 185 HB2 LEU 22 2HB LEU 22 1.065 -5.741 6.040 186 HB3 LEU 22 1HB LEU 22 0.452 -6.783 7.315 187 HG LEU 22 HG LEU 22 1.435 -8.765 6.102 188 HD11 LEU 22 1HD1 LEU 22 2.719 -6.683 4.306 189 HD12 LEU 22 2HD1 LEU 22 1.498 -7.869 3.833 190 HD13 LEU 22 3HD1 LEU 22 3.095 -8.410 4.337 191 HD21 LEU 22 1HD2 LEU 22 3.416 -6.606 6.893 192 HD22 LEU 22 2HD2 LEU 22 3.749 -8.338 6.784 193 HD23 LEU 22 3HD2 LEU 22 2.609 -7.738 7.983 194 H GLU 23 H GLU 23 -1.795 -7.829 7.497 195 HA GLU 23 HA GLU 23 -1.729 -10.614 7.157 196 HB2 GLU 23 2HB GLU 23 -3.710 -8.888 8.700 197 HB3 GLU 23 1HB GLU 23 -3.600 -10.641 8.851 198 HG2 GLU 23 2HG GLU 23 -1.327 -10.467 9.733 199 HG3 GLU 23 1HG GLU 23 -1.327 -8.725 9.468 200 H LEU 24 H LEU 24 -4.213 -8.222 6.248 201 HA LEU 24 HA LEU 24 -6.130 -10.010 5.184 202 HB2 LEU 24 2HB LEU 24 -5.638 -7.089 4.485 203 HB3 LEU 24 1HB LEU 24 -7.087 -7.994 4.057 204 HG LEU 24 HG LEU 24 -6.195 -7.449 6.918 205 HD11 LEU 24 1HD1 LEU 24 -8.013 -5.797 7.031 206 HD12 LEU 24 2HD1 LEU 24 -8.334 -6.025 5.312 207 HD13 LEU 24 3HD1 LEU 24 -6.797 -5.345 5.839 208 HD21 LEU 24 1HD2 LEU 24 -8.788 -8.610 5.858 209 HD22 LEU 24 2HD2 LEU 24 -8.444 -8.225 7.547 210 HD23 LEU 24 3HD2 LEU 24 -7.526 -9.486 6.730 211 H ALA 25 H ALA 25 -3.305 -8.494 3.751 212 HA ALA 25 HA ALA 25 -3.821 -9.094 1.016 213 HB1 ALA 25 1HB ALA 25 -1.149 -8.594 2.381 214 HB2 ALA 25 2HB ALA 25 -2.213 -7.352 1.720 215 HB3 ALA 25 3HB ALA 25 -1.463 -8.528 0.641 216 H GLN 26 H GLN 26 -1.819 -10.730 3.501 217 HA GLN 26 HA GLN 26 -1.126 -12.941 1.764 218 HB2 GLN 26 2HB GLN 26 0.061 -13.861 3.672 219 HB3 GLN 26 1HB GLN 26 0.377 -12.134 3.576 220 HG2 GLN 26 2HG GLN 26 -1.345 -11.782 5.369 221 HG3 GLN 26 1HG GLN 26 -1.473 -13.533 5.521 222 HE21 GLN 26 1HE2 GLN 26 1.521 -11.686 4.998 223 HE22 GLN 26 2HE2 GLN 26 2.229 -12.086 6.520 224 H ARG 27 H ARG 27 -3.807 -12.198 3.758 225 HA ARG 27 HA ARG 27 -4.817 -14.904 4.049 226 HB2 ARG 27 2HB ARG 27 -5.880 -12.138 4.687 227 HB3 ARG 27 1HB ARG 27 -7.011 -13.479 4.610 228 HG2 ARG 27 2HG ARG 27 -4.589 -13.397 6.443 229 HG3 ARG 27 1HG ARG 27 -6.235 -12.965 6.914 230 HD2 ARG 27 2HD ARG 27 -5.292 -15.693 5.969 231 HD3 ARG 27 1HD ARG 27 -5.754 -15.244 7.617 232 HE ARG 27 HE ARG 27 -7.942 -14.632 6.060 233 HH11 ARG 27 1HH1 ARG 27 -6.171 -17.604 6.746 234 HH12 ARG 27 2HH1 ARG 27 -7.556 -18.618 6.502 235 HH21 ARG 27 1HH2 ARG 27 -9.716 -15.965 5.696 236 HH22 ARG 27 2HH2 ARG 27 -9.576 -17.680 5.903 237 H GLY 28 H GLY 28 -4.908 -12.412 1.632 238 HA2 GLY 28 2HA GLY 28 -5.654 -12.575 -0.569 239 HA3 GLY 28 1HA GLY 28 -6.543 -14.035 -0.166 240 H GLU 29 H GLU 29 -7.190 -11.695 2.126 241 HA GLU 29 HA GLU 29 -9.805 -11.035 1.104 242 HB2 GLU 29 2HB GLU 29 -8.289 -10.486 3.666 243 HB3 GLU 29 1HB GLU 29 -9.677 -9.473 3.286 244 HG2 GLU 29 2HG GLU 29 -10.398 -11.219 4.748 245 HG3 GLU 29 1HG GLU 29 -11.104 -11.499 3.166 246 H TRP 30 H TRP 30 -8.973 -10.076 -0.873 247 HA TRP 30 HA TRP 30 -7.417 -7.701 -0.922 248 HB2 TRP 30 2HB TRP 30 -9.293 -8.717 -3.102 249 HB3 TRP 30 1HB TRP 30 -7.943 -7.600 -3.305 250 HD1 TRP 30 HD1 TRP 30 -8.675 -11.046 -4.028 251 HE1 TRP 30 HE1 TRP 30 -6.579 -12.512 -4.125 252 HE3 TRP 30 HE3 TRP 30 -5.365 -7.925 -1.684 253 HZ2 TRP 30 HZ2 TRP 30 -3.898 -12.379 -3.335 254 HZ3 TRP 30 HZ3 TRP 30 -3.046 -8.681 -1.388 255 HH2 TRP 30 HH2 TRP 30 -2.325 -10.867 -2.198 256 H ASP 31 H ASP 31 -10.853 -8.335 -0.804 257 HA ASP 31 HA ASP 31 -11.971 -5.841 -1.386 258 HB2 ASP 31 2HB ASP 31 -12.959 -7.799 0.754 259 HB3 ASP 31 1HB ASP 31 -13.929 -6.598 -0.096 260 H LEU 32 H LEU 32 -10.921 -7.205 1.706 261 HA LEU 32 HA LEU 32 -11.474 -4.884 3.295 262 HB2 LEU 32 2HB LEU 32 -9.792 -7.335 3.960 263 HB3 LEU 32 1HB LEU 32 -10.419 -6.164 5.114 264 HG LEU 32 HG LEU 32 -12.079 -8.111 3.454 265 HD11 LEU 32 1HD1 LEU 32 -12.599 -9.177 5.603 266 HD12 LEU 32 2HD1 LEU 32 -11.550 -8.031 6.443 267 HD13 LEU 32 3HD1 LEU 32 -10.862 -9.181 5.294 268 HD21 LEU 32 1HD2 LEU 32 -13.048 -6.072 5.490 269 HD22 LEU 32 2HD2 LEU 32 -14.038 -7.309 4.713 270 HD23 LEU 32 3HD2 LEU 32 -13.329 -6.020 3.747 271 H LEU 33 H LEU 33 -8.599 -6.233 1.720 272 HA LEU 33 HA LEU 33 -6.580 -4.614 2.812 273 HB2 LEU 33 2HB LEU 33 -6.037 -6.560 1.410 274 HB3 LEU 33 1HB LEU 33 -6.809 -5.814 0.019 275 HG LEU 33 HG LEU 33 -5.032 -3.999 0.080 276 HD11 LEU 33 1HD1 LEU 33 -2.962 -4.405 1.340 277 HD12 LEU 33 2HD1 LEU 33 -3.723 -5.779 2.147 278 HD13 LEU 33 3HD1 LEU 33 -4.348 -4.147 2.396 279 HD21 LEU 33 1HD2 LEU 33 -3.986 -6.819 -0.285 280 HD22 LEU 33 2HD2 LEU 33 -3.260 -5.347 -0.938 281 HD23 LEU 33 3HD2 LEU 33 -4.851 -5.863 -1.492 282 H LEU 34 H LEU 34 -8.619 -4.135 -0.046 283 HA LEU 34 HA LEU 34 -7.506 -1.586 -0.771 284 HB2 LEU 34 2HB LEU 34 -10.011 -3.004 -1.751 285 HB3 LEU 34 1HB LEU 34 -9.285 -1.590 -2.507 286 HG LEU 34 HG LEU 34 -7.885 -4.280 -2.237 287 HD11 LEU 34 1HD1 LEU 34 -9.813 -4.534 -3.694 288 HD12 LEU 34 2HD1 LEU 34 -8.323 -4.607 -4.629 289 HD13 LEU 34 3HD1 LEU 34 -9.307 -3.142 -4.658 290 HD21 LEU 34 1HD2 LEU 34 -6.274 -3.377 -3.855 291 HD22 LEU 34 2HD2 LEU 34 -6.312 -2.417 -2.381 292 HD23 LEU 34 3HD2 LEU 34 -7.111 -1.824 -3.840 293 H GLN 35 H GLN 35 -10.168 -2.666 1.227 294 HA GLN 35 HA GLN 35 -11.538 -0.169 1.454 295 HB2 GLN 35 2HB GLN 35 -12.505 -2.392 2.109 296 HB3 GLN 35 1HB GLN 35 -11.394 -2.461 3.471 297 HG2 GLN 35 2HG GLN 35 -13.594 -1.776 4.232 298 HG3 GLN 35 1HG GLN 35 -12.467 -0.436 4.425 299 HE21 GLN 35 1HE2 GLN 35 -13.969 -1.369 1.339 300 HE22 GLN 35 2HE2 GLN 35 -14.928 0.058 1.183 301 H GLN 36 H GLN 36 -8.843 -1.684 3.205 302 HA GLN 36 HA GLN 36 -8.508 0.557 5.040 303 HB2 GLN 36 2HB GLN 36 -6.706 -1.873 4.635 304 HB3 GLN 36 1HB GLN 36 -6.627 -0.724 5.968 305 HG2 GLN 36 2HG GLN 36 -8.853 -2.696 5.400 306 HG3 GLN 36 1HG GLN 36 -7.675 -2.779 6.706 307 HE21 GLN 36 1HE2 GLN 36 -10.602 -2.752 6.807 308 HE22 GLN 36 2HE2 GLN 36 -11.041 -1.408 7.798 309 H GLU 37 H GLU 37 -7.420 -0.260 1.891 310 HA GLU 37 HA GLU 37 -4.885 0.821 1.597 311 HB2 GLU 37 2HB GLU 37 -6.052 -0.319 -0.249 312 HB3 GLU 37 1HB GLU 37 -7.267 0.954 -0.312 313 HG2 GLU 37 2HG GLU 37 -5.343 2.555 -0.919 314 HG3 GLU 37 1HG GLU 37 -4.357 1.112 -1.145 315 H VAL 38 H VAL 38 -7.975 2.483 1.046 316 HA VAL 38 HA VAL 38 -6.945 5.024 0.473 317 HB VAL 38 HB VAL 38 -9.281 5.856 0.826 318 HG11 VAL 38 1HG1 VAL 38 -9.084 3.261 -0.761 319 HG12 VAL 38 2HG1 VAL 38 -8.648 4.874 -1.332 320 HG13 VAL 38 3HG1 VAL 38 -10.329 4.501 -0.959 321 HG21 VAL 38 1HG2 VAL 38 -11.088 4.268 1.428 322 HG22 VAL 38 2HG2 VAL 38 -9.935 4.455 2.750 323 HG23 VAL 38 3HG2 VAL 38 -9.887 3.008 1.741 324 H SER 39 H SER 39 -8.013 3.602 3.521 325 HA SER 39 HA SER 39 -7.894 5.855 5.200 326 HB2 SER 39 2HB SER 39 -7.358 2.944 5.953 327 HB3 SER 39 1HB SER 39 -7.953 4.219 7.017 328 HG SER 39 HG SER 39 -9.698 4.236 5.167 329 H TYR 40 H TYR 40 -5.545 3.385 4.364 330 HA TYR 40 HA TYR 40 -3.510 4.048 6.218 331 HB2 TYR 40 2HB TYR 40 -3.765 1.795 5.381 332 HB3 TYR 40 1HB TYR 40 -3.618 2.332 3.712 333 HD1 TYR 40 HD1 TYR 40 -1.528 2.759 6.837 334 HD2 TYR 40 HD2 TYR 40 -1.679 1.538 2.743 335 HE1 TYR 40 HE1 TYR 40 0.852 2.186 6.906 336 HE2 TYR 40 HE2 TYR 40 0.700 0.971 2.820 337 HH TYR 40 HH TYR 40 2.698 1.652 4.202 338 H LEU 41 H LEU 41 -3.639 4.397 2.667 339 HA LEU 41 HA LEU 41 -1.223 5.776 2.358 340 HB2 LEU 41 2HB LEU 41 -3.673 5.717 0.555 341 HB3 LEU 41 1HB LEU 41 -2.109 6.364 0.078 342 HG LEU 41 HG LEU 41 -2.666 3.451 0.802 343 HD11 LEU 41 1HD1 LEU 41 -2.108 4.696 -1.914 344 HD12 LEU 41 2HD1 LEU 41 -3.659 4.065 -1.356 345 HD13 LEU 41 3HD1 LEU 41 -2.299 2.970 -1.583 346 HD21 LEU 41 1HD2 LEU 41 -0.376 4.062 1.432 347 HD22 LEU 41 2HD2 LEU 41 -0.081 4.722 -0.179 348 HD23 LEU 41 3HD2 LEU 41 -0.362 2.992 0.030 349 H GLN 42 H GLN 42 -4.578 6.975 2.801 350 HA GLN 42 HA GLN 42 -4.012 9.723 2.417 351 HB2 GLN 42 2HB GLN 42 -6.316 8.801 2.426 352 HB3 GLN 42 1HB GLN 42 -6.196 8.497 4.158 353 HG2 GLN 42 2HG GLN 42 -5.989 10.917 4.583 354 HG3 GLN 42 1HG GLN 42 -6.040 11.246 2.853 355 HE21 GLN 42 1HE2 GLN 42 -8.176 9.236 2.380 356 HE22 GLN 42 2HE2 GLN 42 -9.621 9.956 2.981 357 H SER 43 H SER 43 -3.981 7.712 5.365 358 HA SER 43 HA SER 43 -3.494 9.734 7.255 359 HB2 SER 43 2HB SER 43 -2.725 6.794 7.332 360 HB3 SER 43 1HB SER 43 -2.637 7.882 8.719 361 HG SER 43 HG SER 43 -5.021 7.511 7.244 362 H ILE 44 H ILE 44 -1.231 7.764 5.342 363 HA ILE 44 HA ILE 44 1.197 8.816 6.319 364 HB ILE 44 HB ILE 44 0.559 7.774 3.512 365 HG12 ILE 44 2HG1 ILE 44 1.794 6.359 5.930 366 HG13 ILE 44 1HG1 ILE 44 0.183 6.072 5.281 367 HG21 ILE 44 1HG2 ILE 44 3.011 7.461 3.246 368 HG22 ILE 44 2HG2 ILE 44 3.278 8.249 4.799 369 HG23 ILE 44 3HG2 ILE 44 2.590 9.162 3.457 370 HD11 ILE 44 1HD1 ILE 44 2.792 5.500 3.885 371 HD12 ILE 44 2HD1 ILE 44 1.182 5.225 3.211 372 HD13 ILE 44 3HD1 ILE 44 1.710 4.319 4.629 373 H GLU 45 H GLU 45 -0.623 9.728 3.378 374 HA GLU 45 HA GLU 45 1.019 11.832 2.578 375 HB2 GLU 45 2HB GLU 45 -1.937 11.355 2.003 376 HB3 GLU 45 1HB GLU 45 -0.928 12.516 1.138 377 HG2 GLU 45 2HG GLU 45 0.507 10.727 0.306 378 HG3 GLU 45 1HG GLU 45 -0.372 9.533 1.256 379 H THR 46 H THR 46 -1.560 11.833 4.977 380 HA THR 46 HA THR 46 -1.762 14.737 5.020 381 HB THR 46 HB THR 46 -3.802 13.302 5.320 382 HG1 THR 46 HG1 THR 46 -3.651 15.524 6.023 383 HG21 THR 46 1HG2 THR 46 -2.890 11.593 6.840 384 HG22 THR 46 2HG2 THR 46 -4.288 12.387 7.560 385 HG23 THR 46 3HG2 THR 46 -2.659 12.809 8.097 386 H VAL 47 H VAL 47 -0.039 12.252 6.961 387 HA VAL 47 HA VAL 47 0.803 14.242 8.909 388 HB VAL 47 HB VAL 47 2.528 12.676 9.697 389 HG11 VAL 47 1HG1 VAL 47 0.273 12.419 10.583 390 HG12 VAL 47 2HG1 VAL 47 1.083 10.855 10.484 391 HG13 VAL 47 3HG1 VAL 47 -0.138 11.296 9.284 392 HG21 VAL 47 1HG2 VAL 47 3.208 11.648 7.566 393 HG22 VAL 47 2HG2 VAL 47 1.673 10.786 7.480 394 HG23 VAL 47 3HG2 VAL 47 2.819 10.422 8.773 395 H MET 48 H MET 48 1.844 13.267 5.726 396 HA MET 48 HA MET 48 4.480 14.495 5.942 397 HB2 MET 48 2HB MET 48 3.170 13.352 3.443 398 HB3 MET 48 1HB MET 48 4.884 13.663 3.710 399 HG2 MET 48 2HG MET 48 3.175 11.511 4.943 400 HG3 MET 48 1HG MET 48 4.576 11.320 3.912 401 HE1 MET 48 1HE MET 48 6.864 13.020 5.070 402 HE2 MET 48 2HE MET 48 6.994 11.291 4.727 403 HE3 MET 48 3HE MET 48 7.532 11.927 6.282 404 H GLU 49 H GLU 49 1.310 15.508 4.791 405 HA GLU 49 HA GLU 49 2.219 17.763 3.258 406 HB2 GLU 49 2HB GLU 49 -0.080 18.601 3.382 407 HB3 GLU 49 1HB GLU 49 -0.075 16.880 3.017 408 HG2 GLU 49 2HG GLU 49 -0.574 16.422 5.426 409 HG3 GLU 49 1HG GLU 49 -0.682 18.163 5.685 410 H LYS 50 H LYS 50 1.770 17.208 6.680 411 HA LYS 50 HA LYS 50 2.300 19.933 7.523 412 HB2 LYS 50 2HB LYS 50 2.251 17.247 8.962 413 HB3 LYS 50 1HB LYS 50 2.786 18.708 9.781 414 HG2 LYS 50 2HG LYS 50 0.026 18.220 8.614 415 HG3 LYS 50 1HG LYS 50 0.467 18.242 10.324 416 HD2 LYS 50 2HD LYS 50 1.260 20.679 9.888 417 HD3 LYS 50 1HD LYS 50 0.354 20.567 8.378 418 HE2 LYS 50 2HE LYS 50 -0.757 20.289 11.187 419 HE3 LYS 50 1HE LYS 50 -0.999 21.645 10.086 420 HZ1 LYS 50 1HZ LYS 50 -2.896 20.149 10.186 421 HZ2 LYS 50 2HZ LYS 50 -1.951 18.874 9.627 422 HZ3 LYS 50 3HZ LYS 50 -2.245 20.204 8.631 423 H GLN 51 H GLN 51 4.183 17.442 6.217 424 HA GLN 51 HA GLN 51 6.358 17.061 5.795 425 HB2 GLN 51 2HB GLN 51 6.610 20.030 6.479 426 HB3 GLN 51 1HB GLN 51 7.874 19.078 5.707 427 HG2 GLN 51 2HG GLN 51 6.387 18.685 3.768 428 HG3 GLN 51 1HG GLN 51 5.127 19.634 4.551 429 HE21 GLN 51 1HE2 GLN 51 5.409 21.916 4.726 430 HE22 GLN 51 2HE2 GLN 51 6.511 22.759 3.690 431 H THR 52 H THR 52 5.372 16.504 8.451 432 HA THR 52 HA THR 52 5.901 16.034 10.573 433 HB THR 52 HB THR 52 8.744 16.117 9.484 434 HG1 THR 52 HG1 THR 52 7.956 14.306 8.705 435 HG21 THR 52 1HG2 THR 52 7.849 15.110 12.215 436 HG22 THR 52 2HG2 THR 52 8.869 16.518 11.917 437 HG23 THR 52 3HG2 THR 52 9.459 14.906 11.516 438 HA PRO 53 HA PRO 53 6.146 20.471 11.912 439 HB2 PRO 53 2HB PRO 53 4.929 19.153 14.348 440 HB3 PRO 53 1HB PRO 53 4.413 20.616 13.477 441 HG2 PRO 53 2HG PRO 53 3.045 18.361 13.210 442 HG3 PRO 53 1HG PRO 53 3.324 19.412 11.801 443 HD2 PRO 53 2HD PRO 53 4.710 16.840 12.545 444 HD3 PRO 53 1HD PRO 53 4.175 17.423 10.950 445 HA PRO 54 HA PRO 54 10.083 19.426 13.947 446 HB2 PRO 54 2HB PRO 54 10.326 22.386 14.432 447 HB3 PRO 54 1HB PRO 54 11.411 21.282 13.555 448 HG2 PRO 54 2HG PRO 54 9.908 23.011 12.212 449 HG3 PRO 54 1HG PRO 54 10.143 21.358 11.592 450 HD2 PRO 54 2HD PRO 54 7.767 22.483 13.099 451 HD3 PRO 54 1HD PRO 54 7.797 21.484 11.623 452 H GLY 55 H GLY 55 7.396 20.814 15.562 453 HA2 GLY 55 2HA GLY 55 8.621 21.137 18.185 454 HA3 GLY 55 1HA GLY 55 6.920 21.294 17.777 455 H ILE 56 H ILE 56 9.378 18.696 17.720 456 HA ILE 56 HA ILE 56 7.466 16.795 18.984 457 HB ILE 56 HB ILE 56 9.609 16.187 16.868 458 HG12 ILE 56 2HG1 ILE 56 7.724 17.311 15.814 459 HG13 ILE 56 1HG1 ILE 56 7.706 15.619 15.343 460 HG21 ILE 56 1HG2 ILE 56 8.677 13.892 16.832 461 HG22 ILE 56 2HG2 ILE 56 7.603 14.312 18.167 462 HG23 ILE 56 3HG2 ILE 56 9.348 14.313 18.409 463 HD11 ILE 56 1HD1 ILE 56 5.902 16.977 17.343 464 HD12 ILE 56 2HD1 ILE 56 5.919 15.242 17.017 465 HD13 ILE 56 3HD1 ILE 56 5.476 16.372 15.740 466 H THR 57 H THR 57 8.225 16.317 21.008 467 HA THR 57 HA THR 57 11.001 16.583 21.764 468 HB THR 57 HB THR 57 9.140 16.968 23.407 469 HG1 THR 57 HG1 THR 57 11.055 16.607 24.375 470 HG21 THR 57 1HG2 THR 57 7.636 15.095 22.789 471 HG22 THR 57 2HG2 THR 57 8.048 15.047 24.501 472 HG23 THR 57 3HG2 THR 57 8.829 13.932 23.377 473 H ARG 58 H ARG 58 12.070 14.586 22.916 474 HA ARG 58 HA ARG 58 12.628 12.847 20.726 475 HB2 ARG 58 2HB ARG 58 14.414 11.918 22.115 476 HB3 ARG 58 1HB ARG 58 14.400 13.668 22.239 477 HG2 ARG 58 2HG ARG 58 14.732 13.137 24.463 478 HG3 ARG 58 1HG ARG 58 12.973 13.189 24.435 479 HD2 ARG 58 2HD ARG 58 12.976 10.682 24.124 480 HD3 ARG 58 1HD ARG 58 14.728 10.709 24.344 481 HE ARG 58 HE ARG 58 13.361 11.978 26.514 482 HH11 ARG 58 1HH1 ARG 58 14.204 8.815 25.242 483 HH12 ARG 58 2HH1 ARG 58 14.150 8.039 26.790 484 HH21 ARG 58 1HH2 ARG 58 13.281 10.957 28.549 485 HH22 ARG 58 2HH2 ARG 58 13.625 9.260 28.673 486 H SER 59 H SER 59 10.626 12.488 23.567 487 HA SER 59 HA SER 59 10.378 9.646 23.544 488 HB2 SER 59 2HB SER 59 9.814 11.019 25.531 489 HB3 SER 59 1HB SER 59 8.460 11.740 24.662 490 HG SER 59 HG SER 59 8.690 8.941 24.960 491 H ILE 60 H ILE 60 8.386 12.291 22.213 492 HA ILE 60 HA ILE 60 6.395 10.701 20.959 493 HB ILE 60 HB ILE 60 7.356 13.538 20.362 494 HG12 ILE 60 2HG1 ILE 60 4.864 12.546 21.834 495 HG13 ILE 60 1HG1 ILE 60 6.325 13.136 22.621 496 HG21 ILE 60 1HG2 ILE 60 5.229 13.846 19.087 497 HG22 ILE 60 2HG2 ILE 60 4.905 12.119 19.248 498 HG23 ILE 60 3HG2 ILE 60 6.305 12.669 18.328 499 HD11 ILE 60 1HD1 ILE 60 4.496 14.741 20.850 500 HD12 ILE 60 2HD1 ILE 60 5.972 15.336 21.616 501 HD13 ILE 60 3HD1 ILE 60 4.606 14.824 22.607 502 H GLN 61 H GLN 61 9.441 12.054 19.840 503 HA GLN 61 HA GLN 61 9.434 11.281 17.148 504 HB2 GLN 61 2HB GLN 61 10.990 12.930 18.043 505 HB3 GLN 61 1HB GLN 61 11.708 11.736 19.122 506 HG2 GLN 61 2HG GLN 61 12.574 10.507 17.168 507 HG3 GLN 61 1HG GLN 61 11.863 11.725 16.102 508 HE21 GLN 61 1HE2 GLN 61 12.842 13.737 15.936 509 HE22 GLN 61 2HE2 GLN 61 14.400 14.081 16.594 510 H ASP 62 H ASP 62 10.495 9.603 20.081 511 HA ASP 62 HA ASP 62 11.614 7.280 18.906 512 HB2 ASP 62 2HB ASP 62 12.122 7.858 21.212 513 HB3 ASP 62 1HB ASP 62 10.425 7.785 21.670 514 H MET 63 H MET 63 8.342 7.973 20.180 515 HA MET 63 HA MET 63 7.159 5.452 19.851 516 HB2 MET 63 2HB MET 63 5.794 8.168 19.622 517 HB3 MET 63 1HB MET 63 4.957 6.631 19.791 518 HG2 MET 63 2HG MET 63 6.137 6.354 22.010 519 HG3 MET 63 1HG MET 63 6.684 8.020 21.834 520 HE1 MET 63 1HE MET 63 3.916 9.170 20.282 521 HE2 MET 63 2HE MET 63 4.858 10.089 21.460 522 HE3 MET 63 3HE MET 63 3.124 9.872 21.693 523 H VAL 64 H VAL 64 7.185 8.263 17.664 524 HA VAL 64 HA VAL 64 5.716 6.919 15.616 525 HB VAL 64 HB VAL 64 6.037 8.884 14.226 526 HG11 VAL 64 1HG1 VAL 64 4.939 10.553 15.670 527 HG12 VAL 64 2HG1 VAL 64 5.414 9.649 17.112 528 HG13 VAL 64 3HG1 VAL 64 4.283 8.941 15.955 529 HG21 VAL 64 1HG2 VAL 64 7.930 9.931 16.368 530 HG22 VAL 64 2HG2 VAL 64 7.393 10.807 14.929 531 HG23 VAL 64 3HG2 VAL 64 8.397 9.370 14.759 532 H ALA 65 H ALA 65 9.183 7.378 16.223 533 HA ALA 65 HA ALA 65 10.164 6.458 13.737 534 HB1 ALA 65 1HB ALA 65 11.641 7.461 15.439 535 HB2 ALA 65 2HB ALA 65 12.239 5.879 14.936 536 HB3 ALA 65 3HB ALA 65 11.408 6.059 16.485 537 H GLY 66 H GLY 66 9.040 4.735 16.634 538 HA2 GLY 66 2HA GLY 66 9.466 2.060 15.804 539 HA3 GLY 66 1HA GLY 66 8.232 2.609 16.941 540 H TYR 67 H TYR 67 6.691 4.265 15.382 541 HA TYR 67 HA TYR 67 4.989 2.417 14.073 542 HB2 TYR 67 2HB TYR 67 4.931 5.459 13.993 543 HB3 TYR 67 1HB TYR 67 3.622 4.408 13.457 544 HD1 TYR 67 HD1 TYR 67 3.940 6.616 15.836 545 HD2 TYR 67 HD2 TYR 67 3.619 2.353 15.685 546 HE1 TYR 67 HE1 TYR 67 3.022 6.600 18.116 547 HE2 TYR 67 HE2 TYR 67 2.688 2.349 17.959 548 HH TYR 67 HH TYR 67 1.624 5.177 19.530 549 H ILE 68 H ILE 68 7.436 4.656 12.824 550 HA ILE 68 HA ILE 68 6.683 4.378 10.063 551 HB ILE 68 HB ILE 68 9.405 5.352 11.090 552 HG12 ILE 68 2HG1 ILE 68 6.999 7.075 10.322 553 HG13 ILE 68 1HG1 ILE 68 7.480 6.749 11.972 554 HG21 ILE 68 1HG2 ILE 68 9.545 6.458 8.857 555 HG22 ILE 68 2HG2 ILE 68 7.996 5.744 8.406 556 HG23 ILE 68 3HG2 ILE 68 9.391 4.706 8.705 557 HD11 ILE 68 1HD1 ILE 68 9.135 8.206 9.922 558 HD12 ILE 68 2HD1 ILE 68 9.597 7.897 11.600 559 HD13 ILE 68 3HD1 ILE 68 8.219 8.936 11.240 560 H LYS 69 H LYS 69 9.024 2.827 12.239 561 HA LYS 69 HA LYS 69 10.423 1.300 10.306 562 HB2 LYS 69 2HB LYS 69 10.808 1.739 12.963 563 HB3 LYS 69 1HB LYS 69 10.055 0.158 13.093 564 HG2 LYS 69 2HG LYS 69 12.506 0.742 11.400 565 HG3 LYS 69 1HG LYS 69 12.585 0.179 13.061 566 HD2 LYS 69 2HD LYS 69 11.074 -1.448 11.009 567 HD3 LYS 69 1HD LYS 69 12.834 -1.511 11.047 568 HE2 LYS 69 2HE LYS 69 11.900 -3.349 12.341 569 HE3 LYS 69 1HE LYS 69 12.757 -2.240 13.408 570 HZ1 LYS 69 1HZ LYS 69 10.641 -1.309 14.089 571 HZ2 LYS 69 2HZ LYS 69 10.661 -2.972 14.345 572 HZ3 LYS 69 3HZ LYS 69 9.812 -2.336 13.037 573 H GLN 70 H GLN 70 7.461 0.715 12.160 574 HA GLN 70 HA GLN 70 6.933 -1.943 11.297 575 HB2 GLN 70 2HB GLN 70 5.005 0.209 12.272 576 HB3 GLN 70 1HB GLN 70 4.573 -1.485 12.035 577 HG2 GLN 70 2HG GLN 70 6.192 -2.149 13.764 578 HG3 GLN 70 1HG GLN 70 6.657 -0.464 13.983 579 HE21 GLN 70 1HE2 GLN 70 3.339 -1.667 13.531 580 HE22 GLN 70 2HE2 GLN 70 2.785 -1.211 15.100 581 H THR 71 H THR 71 5.739 1.232 10.109 582 HA THR 71 HA THR 71 4.030 0.130 8.160 583 HB THR 71 HB THR 71 3.824 2.481 9.080 584 HG1 THR 71 HG1 THR 71 3.545 1.707 6.427 585 HG21 THR 71 1HG2 THR 71 5.923 3.188 6.998 586 HG22 THR 71 2HG2 THR 71 6.152 3.268 8.742 587 HG23 THR 71 3HG2 THR 71 4.978 4.325 7.961 588 H LEU 72 H LEU 72 7.416 1.180 8.000 589 HA LEU 72 HA LEU 72 7.818 0.953 5.215 590 HB2 LEU 72 2HB LEU 72 9.763 0.680 7.542 591 HB3 LEU 72 1HB LEU 72 10.285 0.603 5.865 592 HG LEU 72 HG LEU 72 8.941 3.015 7.144 593 HD11 LEU 72 1HD1 LEU 72 11.176 2.634 8.081 594 HD12 LEU 72 2HD1 LEU 72 11.153 4.072 7.066 595 HD13 LEU 72 3HD1 LEU 72 11.870 2.577 6.457 596 HD21 LEU 72 1HD2 LEU 72 10.186 2.677 4.394 597 HD22 LEU 72 2HD2 LEU 72 9.610 4.196 5.082 598 HD23 LEU 72 3HD2 LEU 72 8.471 2.896 4.755 599 H ASP 73 H ASP 73 8.254 -1.360 7.872 600 HA ASP 73 HA ASP 73 9.366 -3.499 6.383 601 HB2 ASP 73 2HB ASP 73 9.529 -3.370 8.843 602 HB3 ASP 73 1HB ASP 73 7.783 -3.534 8.998 603 H ASN 74 H ASN 74 6.022 -2.871 7.446 604 HA ASN 74 HA ASN 74 4.863 -5.230 6.390 605 HB2 ASN 74 2HB ASN 74 3.519 -2.586 7.085 606 HB3 ASN 74 1HB ASN 74 2.689 -4.117 6.829 607 HD21 ASN 74 1HD2 ASN 74 4.759 -5.676 8.327 608 HD22 ASN 74 2HD2 ASN 74 4.470 -5.301 9.984 609 H GLU 75 H GLU 75 5.159 -1.924 5.163 610 HA GLU 75 HA GLU 75 3.599 -2.296 2.786 611 HB2 GLU 75 2HB GLU 75 3.821 -0.148 3.944 612 HB3 GLU 75 1HB GLU 75 5.547 -0.117 3.624 613 HG2 GLU 75 2HG GLU 75 5.191 0.278 1.295 614 HG3 GLU 75 1HG GLU 75 3.464 -0.067 1.431 615 H GLN 76 H GLN 76 6.981 -2.650 3.600 616 HA GLN 76 HA GLN 76 8.053 -3.002 0.976 617 HB2 GLN 76 2HB GLN 76 9.477 -2.572 2.937 618 HB3 GLN 76 1HB GLN 76 8.959 -4.080 3.678 619 HG2 GLN 76 2HG GLN 76 10.049 -5.325 1.808 620 HG3 GLN 76 1HG GLN 76 10.641 -3.788 1.173 621 HE21 GLN 76 1HE2 GLN 76 10.452 -4.636 4.623 622 HE22 GLN 76 2HE2 GLN 76 12.155 -4.672 4.885 623 H LEU 77 H LEU 77 6.678 -5.200 3.397 624 HA LEU 77 HA LEU 77 6.975 -7.597 1.884 625 HB2 LEU 77 2HB LEU 77 5.120 -6.948 4.205 626 HB3 LEU 77 1HB LEU 77 5.341 -8.558 3.533 627 HG LEU 77 HG LEU 77 7.470 -6.905 4.954 628 HD11 LEU 77 1HD1 LEU 77 7.356 -8.628 6.696 629 HD12 LEU 77 2HD1 LEU 77 6.057 -9.445 5.823 630 HD13 LEU 77 3HD1 LEU 77 5.800 -7.828 6.481 631 HD21 LEU 77 1HD2 LEU 77 7.717 -9.679 3.742 632 HD22 LEU 77 2HD2 LEU 77 8.928 -8.887 4.753 633 HD23 LEU 77 3HD2 LEU 77 8.522 -8.211 3.180 634 H LEU 78 H LEU 78 4.422 -5.141 2.108 635 HA LEU 78 HA LEU 78 2.468 -6.389 0.484 636 HB2 LEU 78 2HB LEU 78 3.120 -3.426 0.798 637 HB3 LEU 78 1HB LEU 78 1.714 -4.031 -0.066 638 HG LEU 78 HG LEU 78 2.218 -4.455 2.902 639 HD11 LEU 78 1HD1 LEU 78 1.836 -2.077 2.331 640 HD12 LEU 78 2HD1 LEU 78 0.529 -2.756 3.289 641 HD13 LEU 78 3HD1 LEU 78 0.310 -2.513 1.554 642 HD21 LEU 78 1HD2 LEU 78 0.855 -6.246 1.926 643 HD22 LEU 78 2HD2 LEU 78 -0.243 -5.057 1.223 644 HD23 LEU 78 3HD2 LEU 78 -0.120 -5.221 2.977 645 H LYS 79 H LYS 79 5.218 -4.280 -0.296 646 HA LYS 79 HA LYS 79 4.881 -3.920 -3.021 647 HB2 LYS 79 2HB LYS 79 6.605 -2.752 -1.663 648 HB3 LYS 79 1HB LYS 79 7.499 -4.258 -1.484 649 HG2 LYS 79 2HG LYS 79 7.784 -4.298 -3.995 650 HG3 LYS 79 1HG LYS 79 7.062 -2.686 -4.041 651 HD2 LYS 79 2HD LYS 79 8.896 -1.837 -2.584 652 HD3 LYS 79 1HD LYS 79 9.606 -3.457 -2.558 653 HE2 LYS 79 2HE LYS 79 10.799 -2.139 -4.182 654 HE3 LYS 79 1HE LYS 79 9.839 -3.326 -5.064 655 HZ1 LYS 79 1HZ LYS 79 9.645 -1.205 -6.120 656 HZ2 LYS 79 2HZ LYS 79 9.194 -0.449 -4.681 657 HZ3 LYS 79 3HZ LYS 79 8.163 -1.571 -5.404 658 H GLY 80 H GLY 80 6.801 -6.483 -1.389 659 HA2 GLY 80 2HA GLY 80 7.486 -7.913 -3.758 660 HA3 GLY 80 1HA GLY 80 7.640 -8.502 -2.111 661 H LEU 81 H LEU 81 4.982 -8.486 -1.289 662 HA LEU 81 HA LEU 81 4.113 -11.018 -2.202 663 HB2 LEU 81 2HB LEU 81 3.756 -9.961 0.075 664 HB3 LEU 81 1HB LEU 81 2.501 -8.965 -0.622 665 HG LEU 81 HG LEU 81 2.331 -12.017 -0.579 666 HD11 LEU 81 1HD1 LEU 81 1.232 -10.073 1.487 667 HD12 LEU 81 2HD1 LEU 81 2.569 -11.200 1.724 668 HD13 LEU 81 3HD1 LEU 81 0.948 -11.817 1.438 669 HD21 LEU 81 1HD2 LEU 81 0.145 -9.915 -0.872 670 HD22 LEU 81 2HD2 LEU 81 -0.094 -11.665 -0.821 671 HD23 LEU 81 3HD2 LEU 81 0.780 -10.937 -2.163 672 H LEU 82 H LEU 82 2.652 -7.777 -2.608 673 HA LEU 82 HA LEU 82 0.586 -8.568 -4.353 674 HB2 LEU 82 2HB LEU 82 1.824 -5.801 -4.073 675 HB3 LEU 82 1HB LEU 82 0.292 -6.156 -4.854 676 HG LEU 82 HG LEU 82 0.910 -6.439 -1.882 677 HD11 LEU 82 1HD1 LEU 82 -0.733 -4.628 -1.583 678 HD12 LEU 82 2HD1 LEU 82 -0.921 -4.496 -3.334 679 HD13 LEU 82 3HD1 LEU 82 0.628 -4.113 -2.578 680 HD21 LEU 82 1HD2 LEU 82 -1.453 -7.032 -1.571 681 HD22 LEU 82 2HD2 LEU 82 -0.609 -8.227 -2.551 682 HD23 LEU 82 3HD2 LEU 82 -1.685 -7.058 -3.322 683 H GLN 83 H GLN 83 3.953 -7.571 -4.978 684 HA GLN 83 HA GLN 83 3.839 -7.223 -7.768 685 HB2 GLN 83 2HB GLN 83 5.845 -6.664 -6.460 686 HB3 GLN 83 1HB GLN 83 6.112 -8.365 -6.091 687 HG2 GLN 83 2HG GLN 83 6.539 -8.819 -8.485 688 HG3 GLN 83 1HG GLN 83 6.268 -7.114 -8.854 689 HE21 GLN 83 1HE2 GLN 83 8.002 -8.315 -6.008 690 HE22 GLN 83 2HE2 GLN 83 9.548 -7.711 -6.470 691 H GLN 84 H GLN 84 4.399 -10.163 -5.864 692 HA GLN 84 HA GLN 84 4.624 -12.015 -7.981 693 HB2 GLN 84 2HB GLN 84 3.580 -12.430 -5.151 694 HB3 GLN 84 1HB GLN 84 4.017 -13.729 -6.262 695 HG2 GLN 84 2HG GLN 84 6.339 -13.026 -6.265 696 HG3 GLN 84 1HG GLN 84 5.946 -11.599 -5.308 697 HE21 GLN 84 1HE2 GLN 84 4.610 -14.814 -4.656 698 HE22 GLN 84 2HE2 GLN 84 5.445 -15.042 -3.167 699 H ARG 85 H ARG 85 1.816 -10.927 -6.113 700 HA ARG 85 HA ARG 85 -0.121 -12.651 -7.197 701 HB2 ARG 85 2HB ARG 85 -0.494 -9.881 -5.978 702 HB3 ARG 85 1HB ARG 85 -1.780 -11.057 -6.230 703 HG2 ARG 85 2HG ARG 85 0.616 -11.772 -4.539 704 HG3 ARG 85 1HG ARG 85 -0.687 -10.798 -3.866 705 HD2 ARG 85 2HD ARG 85 -0.970 -13.142 -3.285 706 HD3 ARG 85 1HD ARG 85 -2.290 -12.593 -4.311 707 HE ARG 85 HE ARG 85 -0.195 -13.918 -5.786 708 HH11 ARG 85 1HH1 ARG 85 -3.083 -14.477 -3.826 709 HH12 ARG 85 2HH1 ARG 85 -3.412 -16.027 -4.532 710 HH21 ARG 85 1HH2 ARG 85 -0.642 -15.972 -6.698 711 HH22 ARG 85 2HH2 ARG 85 -2.024 -16.877 -6.164 712 H LEU 86 H LEU 86 0.790 -9.324 -8.115 713 HA LEU 86 HA LEU 86 -1.140 -8.912 -10.139 714 HB2 LEU 86 2HB LEU 86 1.560 -7.579 -9.673 715 HB3 LEU 86 1HB LEU 86 0.421 -7.046 -10.901 716 HG LEU 86 HG LEU 86 -0.003 -6.972 -7.889 717 HD11 LEU 86 1HD1 LEU 86 -0.078 -4.536 -8.178 718 HD12 LEU 86 2HD1 LEU 86 0.240 -4.714 -9.906 719 HD13 LEU 86 3HD1 LEU 86 1.463 -5.195 -8.727 720 HD21 LEU 86 1HD2 LEU 86 -2.113 -7.554 -8.912 721 HD22 LEU 86 2HD2 LEU 86 -1.949 -6.257 -10.097 722 HD23 LEU 86 3HD2 LEU 86 -2.166 -5.872 -8.392 723 H ASP 87 H ASP 87 2.136 -10.205 -10.197 724 HA ASP 87 HA ASP 87 2.531 -10.416 -12.988 725 HB2 ASP 87 2HB ASP 87 4.405 -10.669 -11.455 726 HB3 ASP 87 1HB ASP 87 3.646 -12.043 -10.658 727 H GLU 88 H GLU 88 1.103 -12.633 -10.626 728 HA GLU 88 HA GLU 88 0.605 -14.812 -12.409 729 HB2 GLU 88 2HB GLU 88 -0.591 -14.122 -9.692 730 HB3 GLU 88 1HB GLU 88 -0.819 -15.663 -10.519 731 HG2 GLU 88 2HG GLU 88 1.508 -16.224 -10.329 732 HG3 GLU 88 1HG GLU 88 1.931 -14.594 -9.809 733 H LEU 89 H LEU 89 -1.386 -12.094 -11.225 734 HA LEU 89 HA LEU 89 -3.849 -12.803 -12.406 735 HB2 LEU 89 2HB LEU 89 -2.764 -10.008 -11.813 736 HB3 LEU 89 1HB LEU 89 -4.438 -10.370 -12.216 737 HG LEU 89 HG LEU 89 -2.980 -11.284 -9.703 738 HD11 LEU 89 1HD1 LEU 89 -5.181 -9.227 -10.041 739 HD12 LEU 89 2HD1 LEU 89 -3.484 -8.888 -9.690 740 HD13 LEU 89 3HD1 LEU 89 -4.468 -9.745 -8.508 741 HD21 LEU 89 1HD2 LEU 89 -5.877 -11.742 -10.479 742 HD22 LEU 89 2HD2 LEU 89 -5.145 -12.144 -8.925 743 HD23 LEU 89 3HD2 LEU 89 -4.617 -12.976 -10.383 744 H SER 90 H SER 90 -1.248 -10.674 -13.553 745 HA SER 90 HA SER 90 -2.305 -9.927 -16.050 746 HB2 SER 90 2HB SER 90 -0.457 -8.720 -14.941 747 HB3 SER 90 1HB SER 90 0.606 -10.112 -15.151 748 HG SER 90 HG SER 90 0.798 -9.672 -17.244 749 H SER 91 H SER 91 -0.346 -12.680 -15.066 750 HA SER 91 HA SER 91 0.327 -13.756 -17.580 751 HB2 SER 91 2HB SER 91 1.387 -14.472 -15.471 752 HB3 SER 91 1HB SER 91 -0.134 -15.170 -14.920 753 HG SER 91 HG SER 91 1.493 -15.995 -17.089 754 H LEU 92 H LEU 92 -2.438 -14.371 -15.418 755 HA LEU 92 HA LEU 92 -3.751 -16.265 -17.111 756 HB2 LEU 92 2HB LEU 92 -4.859 -14.596 -14.812 757 HB3 LEU 92 1HB LEU 92 -5.665 -15.978 -15.543 758 HG LEU 92 HG LEU 92 -2.995 -16.127 -14.079 759 HD11 LEU 92 1HD1 LEU 92 -5.747 -16.946 -13.094 760 HD12 LEU 92 2HD1 LEU 92 -4.797 -15.574 -12.519 761 HD13 LEU 92 3HD1 LEU 92 -4.219 -17.216 -12.248 762 HD21 LEU 92 1HD2 LEU 92 -4.766 -18.359 -15.133 763 HD22 LEU 92 2HD2 LEU 92 -3.305 -18.574 -14.166 764 HD23 LEU 92 3HD2 LEU 92 -3.195 -17.876 -15.779 765 H ILE 93 H ILE 93 -4.137 -12.762 -16.632 766 HA ILE 93 HA ILE 93 -6.390 -12.275 -18.249 767 HB ILE 93 HB ILE 93 -4.014 -10.439 -17.636 768 HG12 ILE 93 2HG1 ILE 93 -6.816 -10.476 -16.400 769 HG13 ILE 93 1HG1 ILE 93 -5.378 -11.158 -15.647 770 HG21 ILE 93 1HG2 ILE 93 -5.461 -8.538 -18.349 771 HG22 ILE 93 2HG2 ILE 93 -6.694 -9.683 -18.880 772 HG23 ILE 93 3HG2 ILE 93 -5.125 -9.645 -19.682 773 HD11 ILE 93 1HD1 ILE 93 -5.823 -8.252 -16.303 774 HD12 ILE 93 2HD1 ILE 93 -4.361 -8.931 -15.584 775 HD13 ILE 93 3HD1 ILE 93 -5.888 -9.002 -14.709 776 H GLY 94 H GLY 94 -2.913 -12.369 -18.987 777 HA2 GLY 94 2HA GLY 94 -2.978 -11.472 -21.644 778 HA3 GLY 94 1HA GLY 94 -1.717 -12.467 -20.933 779 H GLN 95 H GLN 95 -3.657 -14.632 -20.303 780 HA GLN 95 HA GLN 95 -3.542 -16.040 -22.834 781 HB2 GLN 95 2HB GLN 95 -4.656 -16.941 -20.139 782 HB3 GLN 95 1HB GLN 95 -4.371 -17.982 -21.529 783 HG2 GLN 95 2HG GLN 95 -2.282 -16.546 -19.874 784 HG3 GLN 95 1HG GLN 95 -2.598 -18.278 -19.913 785 HE21 GLN 95 1HE2 GLN 95 -1.916 -19.470 -21.768 786 HE22 GLN 95 2HE2 GLN 95 -0.723 -18.854 -22.855 787 H VAL 96 H VAL 96 -6.137 -14.963 -20.597 788 HA VAL 96 HA VAL 96 -8.222 -16.124 -22.244 789 HB VAL 96 HB VAL 96 -9.813 -15.278 -20.548 790 HG11 VAL 96 1HG1 VAL 96 -9.013 -16.623 -18.635 791 HG12 VAL 96 2HG1 VAL 96 -7.387 -16.658 -19.324 792 HG13 VAL 96 3HG1 VAL 96 -8.724 -17.443 -20.169 793 HG21 VAL 96 1HG2 VAL 96 -7.396 -14.005 -19.192 794 HG22 VAL 96 2HG2 VAL 96 -9.028 -14.096 -18.519 795 HG23 VAL 96 3HG2 VAL 96 -8.726 -13.144 -19.970 796 H LEU 97 H LEU 97 -6.860 -12.928 -21.886 797 HA LEU 97 HA LEU 97 -9.082 -11.572 -23.221 798 HB2 LEU 97 2HB LEU 97 -7.617 -10.604 -21.288 799 HB3 LEU 97 1HB LEU 97 -6.380 -10.345 -22.499 800 HG LEU 97 HG LEU 97 -9.152 -9.038 -22.533 801 HD11 LEU 97 1HD1 LEU 97 -8.009 -6.965 -21.861 802 HD12 LEU 97 2HD1 LEU 97 -6.476 -7.833 -21.732 803 HD13 LEU 97 3HD1 LEU 97 -7.812 -8.228 -20.648 804 HD21 LEU 97 1HD2 LEU 97 -8.249 -7.530 -24.264 805 HD22 LEU 97 2HD2 LEU 97 -8.247 -9.205 -24.807 806 HD23 LEU 97 3HD2 LEU 97 -6.739 -8.448 -24.289 807 H PHE 98 H PHE 98 -9.198 -11.636 -25.369 808 HA PHE 98 HA PHE 98 -6.836 -12.132 -27.058 809 HB2 PHE 98 2HB PHE 98 -9.789 -12.050 -27.846 810 HB3 PHE 98 1HB PHE 98 -8.452 -12.611 -28.850 811 HD1 PHE 98 HD1 PHE 98 -7.164 -14.702 -28.099 812 HD2 PHE 98 HD2 PHE 98 -10.899 -13.549 -26.356 813 HE1 PHE 98 HE1 PHE 98 -7.467 -16.981 -27.221 814 HE2 PHE 98 HE2 PHE 98 -11.194 -15.833 -25.486 815 HZ PHE 98 HZ PHE 98 -9.478 -17.548 -25.916 816 H GLN 99 H GLN 99 -5.790 -10.197 -27.265 817 HA GLN 99 HA GLN 99 -7.294 -7.773 -28.059 818 HB2 GLN 99 2HB GLN 99 -5.134 -6.562 -27.423 819 HB3 GLN 99 1HB GLN 99 -6.017 -7.306 -26.104 820 HG2 GLN 99 2HG GLN 99 -3.761 -7.750 -25.644 821 HG3 GLN 99 1HG GLN 99 -4.391 -9.261 -26.285 822 HE21 GLN 99 1HE2 GLN 99 -3.456 -6.444 -28.234 823 HE22 GLN 99 2HE2 GLN 99 -2.110 -7.209 -28.999 824 H GLY 100 H GLY 100 -6.228 -10.201 -29.700 825 HA2 GLY 100 2HA GLY 100 -6.081 -9.139 -32.176 826 HA3 GLY 100 1HA GLY 100 -4.420 -8.976 -31.614 827 HA PRO 101 HA PRO 101 -3.580 -13.298 -32.515 828 HB2 PRO 101 2HB PRO 101 -2.442 -14.340 -30.202 829 HB3 PRO 101 1HB PRO 101 -1.585 -13.267 -31.323 830 HG2 PRO 101 2HG PRO 101 -2.919 -12.598 -28.729 831 HG3 PRO 101 1HG PRO 101 -1.365 -12.028 -29.378 832 HD2 PRO 101 2HD PRO 101 -3.607 -10.500 -29.482 833 HD3 PRO 101 1HD PRO 101 -2.365 -10.440 -30.754 834 H SER 102 H SER 102 -4.807 -15.085 -32.637 835 HA SER 102 HA SER 102 -6.451 -16.594 -32.368 836 HB2 SER 102 2HB SER 102 -6.070 -16.091 -29.382 837 HB3 SER 102 1HB SER 102 -6.968 -17.444 -30.078 838 HG SER 102 HG SER 102 -4.226 -16.874 -30.510 839 H ALA 103 H ALA 103 -7.032 -13.589 -32.432 840 HA ALA 103 HA ALA 103 -9.864 -13.654 -31.554 841 HB1 ALA 103 1HB ALA 103 -9.805 -11.195 -31.765 842 HB2 ALA 103 2HB ALA 103 -8.122 -11.274 -32.297 843 HB3 ALA 103 3HB ALA 103 -8.556 -11.777 -30.663 844 H GLY 104 H GLY 104 -11.326 -14.071 -33.093 845 HA2 GLY 104 2HA GLY 104 -10.617 -14.486 -35.819 846 HA3 GLY 104 1HA GLY 104 -12.232 -14.589 -35.143 847 H LEU 105 H LEU 105 -11.503 -11.638 -34.236 848 HA LEU 105 HA LEU 105 -11.789 -10.173 -36.741 849 HB2 LEU 105 2HB LEU 105 -13.787 -8.890 -35.714 850 HB3 LEU 105 1HB LEU 105 -14.089 -10.486 -36.367 851 HG LEU 105 HG LEU 105 -14.004 -11.397 -33.983 852 HD11 LEU 105 1HD1 LEU 105 -14.376 -9.860 -32.108 853 HD12 LEU 105 2HD1 LEU 105 -14.133 -8.478 -33.178 854 HD13 LEU 105 3HD1 LEU 105 -12.804 -9.591 -32.858 855 HD21 LEU 105 1HD2 LEU 105 -16.124 -11.066 -35.158 856 HD22 LEU 105 2HD2 LEU 105 -16.194 -9.389 -34.610 857 HD23 LEU 105 3HD2 LEU 105 -16.304 -10.708 -33.440 858 H VAL 106 H VAL 106 -11.927 -7.683 -36.124 859 HA VAL 106 HA VAL 106 -9.632 -6.972 -34.601 860 HB VAL 106 HB VAL 106 -11.921 -5.208 -35.600 861 HG11 VAL 106 1HG1 VAL 106 -10.360 -3.285 -35.329 862 HG12 VAL 106 2HG1 VAL 106 -9.179 -4.357 -34.570 863 HG13 VAL 106 3HG1 VAL 106 -10.729 -4.058 -33.785 864 HG21 VAL 106 1HG2 VAL 106 -9.188 -5.749 -36.833 865 HG22 VAL 106 2HG2 VAL 106 -10.402 -4.634 -37.470 866 HG23 VAL 106 3HG2 VAL 106 -10.734 -6.364 -37.422 867 HA PRO 107 HA PRO 107 -12.069 -6.954 -30.700 868 HB2 PRO 107 2HB PRO 107 -10.203 -7.985 -29.097 869 HB3 PRO 107 1HB PRO 107 -10.841 -8.968 -30.434 870 HG2 PRO 107 2HG PRO 107 -8.223 -7.548 -30.227 871 HG3 PRO 107 1HG PRO 107 -8.602 -9.102 -30.994 872 HD2 PRO 107 2HD PRO 107 -8.411 -6.550 -32.286 873 HD3 PRO 107 1HD PRO 107 -8.955 -8.082 -33.008 874 H ARG 108 H ARG 108 -10.379 -4.570 -31.820 875 HA ARG 108 HA ARG 108 -9.312 -3.211 -29.544 876 HB2 ARG 108 2HB ARG 108 -8.612 -2.639 -31.842 877 HB3 ARG 108 1HB ARG 108 -10.243 -2.124 -32.248 878 HG2 ARG 108 2HG ARG 108 -10.061 -0.259 -30.639 879 HG3 ARG 108 1HG ARG 108 -8.436 -0.792 -30.193 880 HD2 ARG 108 2HD ARG 108 -8.400 1.108 -31.782 881 HD3 ARG 108 1HD ARG 108 -7.628 -0.330 -32.460 882 HE ARG 108 HE ARG 108 -10.400 -0.137 -33.164 883 HH11 ARG 108 1HH1 ARG 108 -7.207 1.051 -34.101 884 HH12 ARG 108 2HH1 ARG 108 -7.689 1.375 -35.737 885 HH21 ARG 108 1HH2 ARG 108 -10.999 0.299 -35.318 886 HH22 ARG 108 2HH2 ARG 108 -9.824 0.950 -36.419 887 H GLY 109 H GLY 109 -10.787 -3.252 -27.899 888 HA2 GLY 109 2HA GLY 109 -13.122 -1.504 -28.062 889 HA3 GLY 109 1HA GLY 109 -13.442 -3.203 -27.726 890 H SER 110 H SER 110 -12.681 -0.215 -26.392 891 HA SER 110 HA SER 110 -11.432 -1.173 -23.938 892 HB2 SER 110 2HB SER 110 -12.489 1.601 -24.650 893 HB3 SER 110 1HB SER 110 -11.443 1.196 -23.285 894 HG SER 110 HG SER 110 -10.773 0.765 -26.006 895 H GLY 111 H GLY 111 -12.474 -0.393 -21.794 896 HA2 GLY 111 2HA GLY 111 -14.299 -0.345 -20.330 897 HA3 GLY 111 1HA GLY 111 -15.399 -0.596 -21.678 898 H GLY 112 H GLY 112 -14.630 -2.874 -22.847 899 HA2 GLY 112 2HA GLY 112 -13.621 -4.970 -21.317 900 HA3 GLY 112 1HA GLY 112 -15.372 -4.973 -21.091 901 H ILE 113 H ILE 113 -15.052 -7.111 -22.049 902 HA ILE 113 HA ILE 113 -15.013 -7.147 -25.019 903 HB ILE 113 HB ILE 113 -14.762 -9.593 -23.159 904 HG12 ILE 113 2HG1 ILE 113 -12.207 -9.474 -23.853 905 HG13 ILE 113 1HG1 ILE 113 -12.525 -7.769 -24.138 906 HG21 ILE 113 1HG2 ILE 113 -15.402 -10.093 -25.483 907 HG22 ILE 113 2HG2 ILE 113 -13.792 -10.721 -25.133 908 HG23 ILE 113 3HG2 ILE 113 -13.975 -9.242 -26.083 909 HD11 ILE 113 1HD1 ILE 113 -13.178 -7.521 -21.773 910 HD12 ILE 113 2HD1 ILE 113 -11.534 -8.131 -21.958 911 HD13 ILE 113 3HD1 ILE 113 -12.836 -9.234 -21.512 912 H GLU 114 H GLU 114 -16.711 -9.011 -25.793 913 HA GLU 114 HA GLU 114 -19.179 -8.876 -24.157 914 HB2 GLU 114 2HB GLU 114 -20.406 -9.708 -26.138 915 HB3 GLU 114 1HB GLU 114 -19.574 -8.202 -26.473 916 HG2 GLU 114 2HG GLU 114 -18.492 -10.914 -27.294 917 HG3 GLU 114 1HG GLU 114 -19.538 -9.940 -28.321 918 H GLY 115 H GLY 115 -20.151 -10.742 -23.387 919 HA2 GLY 115 2HA GLY 115 -20.456 -13.133 -23.326 920 HA3 GLY 115 1HA GLY 115 -18.777 -13.347 -23.798 921 H SER 428 H SER 428 -19.151 -14.851 -21.832 922 HA SER 428 HA SER 428 -18.977 -13.658 -19.201 923 HB2 SER 428 2HB SER 428 -20.034 -15.895 -19.618 924 HB3 SER 428 1HB SER 428 -18.453 -16.552 -20.037 925 HG SER 428 HG SER 428 -19.189 -15.404 -17.537 926 H ILE 429 H ILE 429 -16.757 -14.521 -21.696 927 HA ILE 429 HA ILE 429 -14.297 -14.645 -20.350 928 HB ILE 429 HB ILE 429 -14.529 -15.196 -22.728 929 HG12 ILE 429 2HG1 ILE 429 -12.241 -14.259 -21.768 930 HG13 ILE 429 1HG1 ILE 429 -12.409 -14.533 -23.491 931 HG21 ILE 429 1HG2 ILE 429 -16.170 -13.557 -23.428 932 HG22 ILE 429 2HG2 ILE 429 -14.763 -13.467 -24.488 933 HG23 ILE 429 3HG2 ILE 429 -15.003 -12.244 -23.238 934 HD11 ILE 429 1HD1 ILE 429 -12.614 -11.841 -22.127 935 HD12 ILE 429 2HD1 ILE 429 -12.709 -12.138 -23.863 936 HD13 ILE 429 3HD1 ILE 429 -11.211 -12.464 -22.996 937 H ASP 430 H ASP 430 -16.298 -11.879 -21.284 938 HA ASP 430 HA ASP 430 -14.637 -9.740 -20.576 939 HB2 ASP 430 2HB ASP 430 -16.679 -9.287 -21.755 940 HB3 ASP 430 1HB ASP 430 -17.660 -10.062 -20.516 941 H GLU 431 H GLU 431 -16.885 -11.680 -18.623 942 HA GLU 431 HA GLU 431 -16.821 -10.141 -16.275 943 HB2 GLU 431 2HB GLU 431 -17.394 -13.118 -16.597 944 HB3 GLU 431 1HB GLU 431 -17.717 -12.177 -15.140 945 HG2 GLU 431 2HG GLU 431 -19.277 -10.738 -16.464 946 HG3 GLU 431 1HG GLU 431 -19.007 -11.787 -17.857 947 H THR 432 H THR 432 -15.008 -13.148 -17.082 948 HA THR 432 HA THR 432 -13.537 -13.220 -14.675 949 HB THR 432 HB THR 432 -13.704 -15.216 -16.085 950 HG1 THR 432 HG1 THR 432 -11.210 -15.544 -16.137 951 HG21 THR 432 1HG2 THR 432 -13.492 -14.215 -18.328 952 HG22 THR 432 2HG2 THR 432 -12.305 -15.500 -18.099 953 HG23 THR 432 3HG2 THR 432 -11.804 -13.811 -17.999 954 H VAL 433 H VAL 433 -12.678 -11.759 -17.848 955 HA VAL 433 HA VAL 433 -10.111 -10.830 -17.142 956 HB VAL 433 HB VAL 433 -12.093 -9.701 -19.176 957 HG11 VAL 433 1HG1 VAL 433 -10.543 -7.903 -18.549 958 HG12 VAL 433 2HG1 VAL 433 -10.176 -8.468 -20.177 959 HG13 VAL 433 3HG1 VAL 433 -9.156 -8.960 -18.822 960 HG21 VAL 433 1HG2 VAL 433 -9.625 -11.447 -19.567 961 HG22 VAL 433 2HG2 VAL 433 -10.670 -10.830 -20.851 962 HG23 VAL 433 3HG2 VAL 433 -11.303 -11.985 -19.679 963 H ALA 434 H ALA 434 -13.318 -9.409 -16.692 964 HA ALA 434 HA ALA 434 -12.515 -6.809 -15.906 965 HB1 ALA 434 1HB ALA 434 -14.785 -7.316 -16.707 966 HB2 ALA 434 2HB ALA 434 -14.831 -6.536 -15.126 967 HB3 ALA 434 3HB ALA 434 -15.095 -8.279 -15.262 968 H ARG 435 H ARG 435 -13.030 -9.813 -14.057 969 HA ARG 435 HA ARG 435 -12.916 -8.613 -11.455 970 HB2 ARG 435 2HB ARG 435 -12.058 -11.478 -12.046 971 HB3 ARG 435 1HB ARG 435 -12.701 -10.826 -10.544 972 HG2 ARG 435 2HG ARG 435 -14.186 -11.392 -13.104 973 HG3 ARG 435 1HG ARG 435 -14.368 -12.203 -11.556 974 HD2 ARG 435 2HD ARG 435 -15.355 -10.163 -10.587 975 HD3 ARG 435 1HD ARG 435 -15.130 -9.309 -12.122 976 HE ARG 435 HE ARG 435 -16.837 -11.724 -11.880 977 HH11 ARG 435 1HH1 ARG 435 -16.436 -8.393 -12.960 978 HH12 ARG 435 2HH1 ARG 435 -17.973 -8.356 -13.770 979 HH21 ARG 435 1HH2 ARG 435 -18.828 -11.660 -12.948 980 HH22 ARG 435 2HH2 ARG 435 -19.328 -10.209 -13.759 981 H TYR 436 H TYR 436 -10.545 -10.394 -13.432 982 HA TYR 436 HA TYR 436 -8.375 -10.078 -11.596 983 HB2 TYR 436 2HB TYR 436 -8.550 -11.040 -14.475 984 HB3 TYR 436 1HB TYR 436 -7.009 -10.931 -13.626 985 HD1 TYR 436 HD1 TYR 436 -6.256 -12.840 -12.473 986 HD2 TYR 436 HD2 TYR 436 -10.454 -12.399 -13.129 987 HE1 TYR 436 HE1 TYR 436 -6.654 -15.047 -11.469 988 HE2 TYR 436 HE2 TYR 436 -10.845 -14.602 -12.122 989 HH TYR 436 HH TYR 436 -9.738 -16.619 -11.588 990 H LYS 437 H LYS 437 -9.545 -8.119 -14.239 991 HA LYS 437 HA LYS 437 -7.198 -6.462 -14.516 992 HB2 LYS 437 2HB LYS 437 -8.722 -6.660 -16.410 993 HB3 LYS 437 1HB LYS 437 -10.081 -6.083 -15.450 994 HG2 LYS 437 2HG LYS 437 -9.076 -3.856 -15.299 995 HG3 LYS 437 1HG LYS 437 -7.641 -4.413 -16.169 996 HD2 LYS 437 2HD LYS 437 -8.969 -4.794 -18.195 997 HD3 LYS 437 1HD LYS 437 -10.459 -4.399 -17.328 998 HE2 LYS 437 2HE LYS 437 -9.661 -2.529 -18.745 999 HE3 LYS 437 1HE LYS 437 -9.725 -2.086 -17.040 1000 HZ1 LYS 437 1HZ LYS 437 -7.351 -2.377 -16.887 1001 HZ2 LYS 437 2HZ LYS 437 -7.698 -1.317 -18.152 1002 HZ3 LYS 437 3HZ LYS 437 -7.265 -2.912 -18.485 1003 H ALA 438 H ALA 438 -10.288 -6.285 -12.766 1004 HA ALA 438 HA ALA 438 -9.935 -3.732 -11.585 1005 HB1 ALA 438 1HB ALA 438 -11.464 -6.127 -10.501 1006 HB2 ALA 438 2HB ALA 438 -12.106 -4.891 -11.584 1007 HB3 ALA 438 3HB ALA 438 -11.624 -4.456 -9.944 1008 H GLN 439 H GLN 439 -9.313 -7.005 -10.276 1009 HA GLN 439 HA GLN 439 -8.056 -6.361 -7.896 1010 HB2 GLN 439 2HB GLN 439 -7.568 -8.750 -9.722 1011 HB3 GLN 439 1HB GLN 439 -6.990 -8.642 -8.063 1012 HG2 GLN 439 2HG GLN 439 -9.892 -8.680 -8.942 1013 HG3 GLN 439 1HG GLN 439 -9.004 -10.017 -8.214 1014 HE21 GLN 439 1HE2 GLN 439 -10.589 -6.971 -7.622 1015 HE22 GLN 439 2HE2 GLN 439 -10.565 -7.071 -5.897 1016 H PHE 440 H PHE 440 -6.655 -6.715 -11.152 1017 HA PHE 440 HA PHE 440 -3.945 -6.455 -10.464 1018 HB2 PHE 440 2HB PHE 440 -4.762 -7.234 -12.708 1019 HB3 PHE 440 1HB PHE 440 -5.250 -5.584 -13.087 1020 HD1 PHE 440 HD1 PHE 440 -2.360 -7.827 -12.513 1021 HD2 PHE 440 HD2 PHE 440 -3.574 -3.899 -13.699 1022 HE1 PHE 440 HE1 PHE 440 -0.088 -7.358 -13.311 1023 HE2 PHE 440 HE2 PHE 440 -1.295 -3.443 -14.505 1024 HZ PHE 440 HZ PHE 440 0.446 -5.175 -14.307 1025 H THR 441 H THR 441 -6.137 -3.971 -11.819 1026 HA THR 441 HA THR 441 -4.301 -1.853 -11.738 1027 HB THR 441 HB THR 441 -7.350 -1.710 -11.833 1028 HG1 THR 441 HG1 THR 441 -6.959 -2.721 -13.657 1029 HG21 THR 441 1HG2 THR 441 -6.330 0.511 -11.388 1030 HG22 THR 441 2HG2 THR 441 -7.022 0.436 -13.007 1031 HG23 THR 441 3HG2 THR 441 -5.275 0.312 -12.790 1032 H GLN 442 H GLN 442 -6.703 -2.916 -9.395 1033 HA GLN 442 HA GLN 442 -6.636 -0.640 -7.677 1034 HB2 GLN 442 2HB GLN 442 -7.565 -3.505 -7.266 1035 HB3 GLN 442 1HB GLN 442 -7.725 -2.267 -6.019 1036 HG2 GLN 442 2HG GLN 442 -9.208 -0.954 -7.401 1037 HG3 GLN 442 1HG GLN 442 -8.917 -1.989 -8.797 1038 HE21 GLN 442 1HE2 GLN 442 -9.111 -4.498 -7.326 1039 HE22 GLN 442 2HE2 GLN 442 -10.776 -4.706 -6.928 1040 H LEU 443 H LEU 443 -5.036 -3.853 -7.472 1041 HA LEU 443 HA LEU 443 -3.441 -3.138 -5.173 1042 HB2 LEU 443 2HB LEU 443 -3.373 -5.459 -7.121 1043 HB3 LEU 443 1HB LEU 443 -2.091 -5.248 -5.944 1044 HG LEU 443 HG LEU 443 -3.663 -5.583 -4.087 1045 HD11 LEU 443 1HD1 LEU 443 -5.706 -4.603 -5.044 1046 HD12 LEU 443 2HD1 LEU 443 -5.992 -6.208 -4.382 1047 HD13 LEU 443 3HD1 LEU 443 -5.865 -5.986 -6.129 1048 HD21 LEU 443 1HD2 LEU 443 -2.579 -7.549 -5.057 1049 HD22 LEU 443 2HD2 LEU 443 -3.903 -7.746 -6.209 1050 HD23 LEU 443 3HD2 LEU 443 -4.192 -7.962 -4.480 1051 H ASP 444 H ASP 444 -3.176 -2.543 -8.546 1052 HA ASP 444 HA ASP 444 -0.302 -2.200 -8.706 1053 HB2 ASP 444 2HB ASP 444 -1.610 -2.936 -10.680 1054 HB3 ASP 444 1HB ASP 444 -2.512 -1.427 -10.673 1055 H THR 445 H THR 445 -3.150 -0.041 -8.525 1056 HA THR 445 HA THR 445 -1.614 2.378 -8.577 1057 HB THR 445 HB THR 445 -3.971 2.442 -9.297 1058 HG1 THR 445 HG1 THR 445 -2.801 4.258 -8.037 1059 HG21 THR 445 1HG2 THR 445 -4.957 0.818 -7.716 1060 HG22 THR 445 2HG2 THR 445 -5.831 2.349 -7.686 1061 HG23 THR 445 3HG2 THR 445 -4.704 1.949 -6.385 1062 H MET 446 H MET 446 -2.939 0.254 -6.051 1063 HA MET 446 HA MET 446 -2.133 1.677 -3.773 1064 HB2 MET 446 2HB MET 446 -3.531 -0.418 -3.722 1065 HB3 MET 446 1HB MET 446 -2.104 -1.361 -4.138 1066 HG2 MET 446 2HG MET 446 -1.015 -0.577 -2.048 1067 HG3 MET 446 1HG MET 446 -2.496 0.285 -1.624 1068 HE1 MET 446 1HE MET 446 -2.633 -0.914 0.720 1069 HE2 MET 446 2HE MET 446 -1.112 -1.738 0.365 1070 HE3 MET 446 3HE MET 446 -2.503 -2.659 0.934 1071 H MET 447 H MET 447 -0.421 -0.627 -5.842 1072 HA MET 447 HA MET 447 1.979 -0.870 -4.429 1073 HB2 MET 447 2HB MET 447 1.433 -2.485 -6.108 1074 HB3 MET 447 1HB MET 447 1.340 -1.263 -7.367 1075 HG2 MET 447 2HG MET 447 3.690 -1.022 -7.457 1076 HG3 MET 447 1HG MET 447 3.921 -1.838 -5.910 1077 HE1 MET 447 1HE MET 447 2.127 -4.323 -6.014 1078 HE2 MET 447 2HE MET 447 3.830 -4.422 -5.550 1079 HE3 MET 447 3HE MET 447 3.172 -5.535 -6.748 1080 H SER 448 H SER 448 1.175 1.323 -7.136 1081 HA SER 448 HA SER 448 3.762 2.464 -7.392 1082 HB2 SER 448 2HB SER 448 2.537 4.238 -8.718 1083 HB3 SER 448 1HB SER 448 2.205 2.586 -9.238 1084 HG SER 448 HG SER 448 0.548 4.385 -7.850 1085 H LYS 449 H LYS 449 0.865 3.390 -5.548 1086 HA LYS 449 HA LYS 449 1.963 5.838 -4.539 1087 HB2 LYS 449 2HB LYS 449 -0.415 4.181 -3.623 1088 HB3 LYS 449 1HB LYS 449 0.044 5.714 -2.881 1089 HG2 LYS 449 2HG LYS 449 -0.165 6.753 -5.225 1090 HG3 LYS 449 1HG LYS 449 -0.926 5.237 -5.717 1091 HD2 LYS 449 2HD LYS 449 -2.633 6.914 -5.140 1092 HD3 LYS 449 1HD LYS 449 -2.691 5.560 -4.008 1093 HE2 LYS 449 2HE LYS 449 -1.462 6.866 -2.339 1094 HE3 LYS 449 1HE LYS 449 -1.297 8.208 -3.473 1095 HZ1 LYS 449 1HZ LYS 449 -3.084 8.493 -1.829 1096 HZ2 LYS 449 2HZ LYS 449 -3.899 7.172 -2.503 1097 HZ3 LYS 449 3HZ LYS 449 -3.629 8.560 -3.424 1098 H LEU 450 H LEU 450 1.842 2.497 -3.278 1099 HA LEU 450 HA LEU 450 2.866 3.241 -0.704 1100 HB2 LEU 450 2HB LEU 450 2.846 0.951 -0.080 1101 HB3 LEU 450 1HB LEU 450 1.399 1.266 -0.995 1102 HG LEU 450 HG LEU 450 2.612 0.106 -2.976 1103 HD11 LEU 450 1HD1 LEU 450 4.300 -1.599 -2.398 1104 HD12 LEU 450 2HD1 LEU 450 4.393 -0.948 -0.759 1105 HD13 LEU 450 3HD1 LEU 450 4.900 0.038 -2.130 1106 HD21 LEU 450 1HD2 LEU 450 1.801 -1.545 -0.562 1107 HD22 LEU 450 2HD2 LEU 450 1.892 -2.122 -2.229 1108 HD23 LEU 450 3HD2 LEU 450 0.714 -0.889 -1.791 1109 H ASN 451 H ASN 451 4.235 2.442 -3.735 1110 HA ASN 451 HA ASN 451 6.927 1.947 -2.970 1111 HB2 ASN 451 2HB ASN 451 6.019 1.345 -5.199 1112 HB3 ASN 451 1HB ASN 451 5.760 3.043 -5.580 1113 HD21 ASN 451 1HD2 ASN 451 7.568 4.338 -6.104 1114 HD22 ASN 451 2HD2 ASN 451 9.095 3.643 -6.511 1115 H ASN 452 H ASN 452 5.198 4.839 -4.114 1116 HA ASN 452 HA ASN 452 7.241 6.753 -3.880 1117 HB2 ASN 452 2HB ASN 452 5.152 7.186 -5.131 1118 HB3 ASN 452 1HB ASN 452 4.213 7.089 -3.642 1119 HD21 ASN 452 1HD2 ASN 452 3.401 9.159 -3.745 1120 HD22 ASN 452 2HD2 ASN 452 4.363 10.588 -3.598 1121 H THR 453 H THR 453 4.749 5.718 -1.546 1122 HA THR 453 HA THR 453 5.320 7.626 0.441 1123 HB THR 453 HB THR 453 4.071 6.065 2.008 1124 HG1 THR 453 HG1 THR 453 3.819 4.099 1.392 1125 HG21 THR 453 1HG2 THR 453 2.676 6.665 -0.631 1126 HG22 THR 453 2HG2 THR 453 2.830 7.787 0.721 1127 HG23 THR 453 3HG2 THR 453 1.871 6.316 0.900 1128 H SER 454 H SER 454 6.151 4.095 0.417 1129 HA SER 454 HA SER 454 7.760 4.085 2.671 1130 HB2 SER 454 2HB SER 454 8.796 1.995 1.753 1131 HB3 SER 454 1HB SER 454 7.040 2.000 1.635 1132 HG SER 454 HG SER 454 7.219 1.839 -0.430 1133 H SER 455 H SER 455 8.627 5.088 -0.599 1134 HA SER 455 HA SER 455 11.424 5.285 -0.324 1135 HB2 SER 455 2HB SER 455 10.243 5.522 -2.482 1136 HB3 SER 455 1HB SER 455 9.569 7.067 -1.962 1137 HG SER 455 HG SER 455 12.326 6.437 -2.258 1138 H TYR 456 H TYR 456 9.018 7.980 0.026 1139 HA TYR 456 HA TYR 456 11.040 9.662 1.221 1140 HB2 TYR 456 2HB TYR 456 9.300 11.375 1.511 1141 HB3 TYR 456 1HB TYR 456 9.383 10.751 -0.124 1142 HD1 TYR 456 HD1 TYR 456 7.421 9.993 3.033 1143 HD2 TYR 456 HD2 TYR 456 7.323 10.561 -1.201 1144 HE1 TYR 456 HE1 TYR 456 4.985 9.784 3.055 1145 HE2 TYR 456 HE2 TYR 456 4.875 10.341 -1.168 1146 HH TYR 456 HH TYR 456 3.119 9.396 0.256 1147 H LEU 457 H LEU 457 8.880 7.350 2.517 1148 HA LEU 457 HA LEU 457 8.755 8.359 5.203 1149 HB2 LEU 457 2HB LEU 457 8.174 5.591 4.079 1150 HB3 LEU 457 1HB LEU 457 7.989 5.997 5.777 1151 HG LEU 457 HG LEU 457 6.386 7.171 3.471 1152 HD11 LEU 457 1HD1 LEU 457 5.572 5.282 5.711 1153 HD12 LEU 457 2HD1 LEU 457 5.763 4.866 4.005 1154 HD13 LEU 457 3HD1 LEU 457 4.487 5.975 4.500 1155 HD21 LEU 457 1HD2 LEU 457 5.059 8.328 5.194 1156 HD22 LEU 457 2HD2 LEU 457 6.727 8.889 5.167 1157 HD23 LEU 457 3HD2 LEU 457 6.191 7.780 6.431 1158 H THR 458 H THR 458 10.868 6.055 3.463 1159 HA THR 458 HA THR 458 12.297 5.302 5.846 1160 HB THR 458 HB THR 458 12.167 3.803 3.819 1161 HG1 THR 458 HG1 THR 458 14.896 4.197 4.337 1162 HG21 THR 458 1HG2 THR 458 13.823 4.098 2.004 1163 HG22 THR 458 2HG2 THR 458 14.267 5.676 2.659 1164 HG23 THR 458 3HG2 THR 458 12.645 5.412 2.019 1165 H GLN 459 H GLN 459 12.752 7.742 3.287 1166 HA GLN 459 HA GLN 459 15.203 8.849 4.154 1167 HB2 GLN 459 2HB GLN 459 12.769 10.345 3.097 1168 HB3 GLN 459 1HB GLN 459 14.403 11.000 3.183 1169 HG2 GLN 459 2HG GLN 459 15.155 9.338 1.539 1170 HG3 GLN 459 1HG GLN 459 13.525 8.669 1.462 1171 HE21 GLN 459 1HE2 GLN 459 12.224 11.337 1.613 1172 HE22 GLN 459 2HE2 GLN 459 12.465 12.052 0.061 1173 H GLN 460 H GLN 460 11.884 9.668 5.071 1174 HA GLN 460 HA GLN 460 12.404 11.616 7.022 1175 HB2 GLN 460 2HB GLN 460 10.225 11.335 5.876 1176 HB3 GLN 460 1HB GLN 460 9.984 9.784 6.668 1177 HG2 GLN 460 2HG GLN 460 8.632 11.526 7.717 1178 HG3 GLN 460 1HG GLN 460 9.832 10.905 8.851 1179 HE21 GLN 460 1HE2 GLN 460 11.457 12.279 9.585 1180 HE22 GLN 460 2HE2 GLN 460 11.464 13.979 9.274 1181 H PHE 461 H PHE 461 12.144 8.112 7.227 1182 HA PHE 461 HA PHE 461 11.982 7.837 10.041 1183 HB2 PHE 461 2HB PHE 461 11.378 5.973 8.599 1184 HB3 PHE 461 1HB PHE 461 12.984 5.923 7.885 1185 HD1 PHE 461 HD1 PHE 461 11.641 5.958 11.419 1186 HD2 PHE 461 HD2 PHE 461 14.133 3.990 8.549 1187 HE1 PHE 461 HE1 PHE 461 12.324 4.328 13.119 1188 HE2 PHE 461 HE2 PHE 461 14.806 2.360 10.261 1189 HZ PHE 461 HZ PHE 461 13.901 2.530 12.546 1190 H THR 462 H THR 462 14.728 7.467 7.791 1191 HA THR 462 HA THR 462 16.690 6.944 9.723 1192 HB THR 462 HB THR 462 17.086 8.147 6.946 1193 HG1 THR 462 HG1 THR 462 16.220 6.275 6.424 1194 HG21 THR 462 1HG2 THR 462 19.144 8.230 8.343 1195 HG22 THR 462 2HG2 THR 462 19.306 7.074 7.020 1196 HG23 THR 462 3HG2 THR 462 18.995 6.500 8.661 1197 H ALA 463 H ALA 463 15.503 9.998 8.379 1198 HA ALA 463 HA ALA 463 17.551 11.688 9.495 1199 HB1 ALA 463 1HB ALA 463 16.285 12.362 7.506 1200 HB2 ALA 463 2HB ALA 463 16.075 13.543 8.796 1201 HB3 ALA 463 3HB ALA 463 14.788 12.386 8.436 1202 H MET 464 H MET 464 14.135 11.051 10.336 1203 HA MET 464 HA MET 464 13.954 12.736 12.597 1204 HB2 MET 464 2HB MET 464 11.978 11.865 11.388 1205 HB3 MET 464 1HB MET 464 12.358 10.229 11.894 1206 HG2 MET 464 2HG MET 464 11.980 10.932 14.262 1207 HG3 MET 464 1HG MET 464 11.463 12.512 13.670 1208 HE1 MET 464 1HE MET 464 9.820 11.803 11.030 1209 HE2 MET 464 2HE MET 464 9.189 12.897 12.267 1210 HE3 MET 464 3HE MET 464 8.195 11.566 11.675 1211 H ASN 465 H ASN 465 14.998 9.416 12.201 1212 HA ASN 465 HA ASN 465 15.176 8.841 15.040 1213 HB2 ASN 465 2HB ASN 465 14.613 7.132 13.198 1214 HB3 ASN 465 1HB ASN 465 16.311 7.177 12.739 1215 HD21 ASN 465 1HD2 ASN 465 14.778 4.953 13.697 1216 HD22 ASN 465 2HD2 ASN 465 15.539 4.392 15.143 1217 H LYS 466 H LYS 466 17.702 8.679 12.434 1218 HA LYS 466 HA LYS 466 19.550 10.166 14.204 1219 HB2 LYS 466 2HB LYS 466 21.451 8.755 13.315 1220 HB3 LYS 466 1HB LYS 466 20.353 7.934 14.409 1221 HG2 LYS 466 2HG LYS 466 19.936 7.655 11.434 1222 HG3 LYS 466 1HG LYS 466 21.227 6.737 12.205 1223 HD2 LYS 466 2HD LYS 466 18.291 6.623 13.016 1224 HD3 LYS 466 1HD LYS 466 19.099 5.448 11.978 1225 HE2 LYS 466 2HE LYS 466 20.643 4.876 13.830 1226 HE3 LYS 466 1HE LYS 466 19.824 6.048 14.868 1227 HZ1 LYS 466 1HZ LYS 466 19.082 3.742 15.221 1228 HZ2 LYS 466 2HZ LYS 466 18.488 3.692 13.639 1229 HZ3 LYS 466 3HZ LYS 466 17.823 4.765 14.758 1230 H SER 467 H SER 467 18.701 12.047 12.811 1231 HA SER 467 HA SER 467 19.833 12.386 10.214 1232 HB2 SER 467 2HB SER 467 18.020 13.848 11.164 1233 HB3 SER 467 1HB SER 467 19.203 14.573 12.250 1234 HG SER 467 HG SER 467 20.378 14.985 10.129 Start of MODEL 3 1 H1 MET 1 1H MET 1 -1.695 22.021 21.828 2 H2 MET 1 2H MET 1 -0.319 21.816 22.786 3 H3 MET 1 3H MET 1 -1.279 20.486 22.388 4 HA MET 1 HA MET 1 0.202 22.138 20.448 5 HB2 MET 1 2HB MET 1 1.765 20.177 20.271 6 HB3 MET 1 1HB MET 1 1.819 20.981 21.827 7 HG2 MET 1 2HG MET 1 0.523 19.167 22.846 8 HG3 MET 1 1HG MET 1 0.362 18.380 21.273 9 HE1 MET 1 1HE MET 1 1.419 16.047 21.967 10 HE2 MET 1 2HE MET 1 1.414 16.632 23.634 11 HE3 MET 1 3HE MET 1 2.873 15.908 22.954 12 H THR 2 H THR 2 -1.495 22.242 18.964 13 HA THR 2 HA THR 2 -3.296 20.149 18.323 14 HB THR 2 HB THR 2 -3.864 21.613 16.312 15 HG1 THR 2 HG1 THR 2 -2.794 23.768 16.479 16 HG21 THR 2 1HG2 THR 2 -4.770 23.503 17.621 17 HG22 THR 2 2HG2 THR 2 -3.757 23.055 18.995 18 HG23 THR 2 3HG2 THR 2 -5.045 21.973 18.456 19 H SER 3 H SER 3 -0.526 21.461 16.486 20 HA SER 3 HA SER 3 -0.659 19.697 14.289 21 HB2 SER 3 2HB SER 3 1.736 21.260 15.351 22 HB3 SER 3 1HB SER 3 1.567 20.610 13.716 23 HG SER 3 HG SER 3 -0.578 22.131 14.355 24 H THR 4 H THR 4 1.011 19.507 17.373 25 HA THR 4 HA THR 4 2.700 17.301 16.660 26 HB THR 4 HB THR 4 2.135 18.358 19.458 27 HG1 THR 4 HG1 THR 4 4.382 19.326 18.214 28 HG21 THR 4 1HG2 THR 4 4.444 17.605 19.917 29 HG22 THR 4 2HG2 THR 4 4.585 17.006 18.266 30 HG23 THR 4 3HG2 THR 4 3.442 16.254 19.380 31 H VAL 5 H VAL 5 -0.451 17.626 18.356 32 HA VAL 5 HA VAL 5 -0.471 14.911 19.301 33 HB VAL 5 HB VAL 5 -1.817 16.690 20.452 34 HG11 VAL 5 1HG1 VAL 5 -3.723 16.477 18.101 35 HG12 VAL 5 2HG1 VAL 5 -2.749 17.882 18.529 36 HG13 VAL 5 3HG1 VAL 5 -4.035 17.347 19.609 37 HG21 VAL 5 1HG2 VAL 5 -3.426 14.264 19.551 38 HG22 VAL 5 2HG2 VAL 5 -3.765 15.255 20.974 39 HG23 VAL 5 3HG2 VAL 5 -2.277 14.314 20.891 40 H GLU 6 H GLU 6 -1.973 16.574 16.470 41 HA GLU 6 HA GLU 6 -3.302 14.295 15.408 42 HB2 GLU 6 2HB GLU 6 -3.389 15.536 13.261 43 HB3 GLU 6 1HB GLU 6 -3.864 16.554 14.615 44 HG2 GLU 6 2HG GLU 6 -1.747 17.706 14.586 45 HG3 GLU 6 1HG GLU 6 -1.090 16.570 13.415 46 H PHE 7 H PHE 7 -0.029 15.575 14.960 47 HA PHE 7 HA PHE 7 1.085 13.815 13.148 48 HB2 PHE 7 2HB PHE 7 2.281 15.732 13.978 49 HB3 PHE 7 1HB PHE 7 2.205 15.158 15.630 50 HD1 PHE 7 HD1 PHE 7 3.834 14.614 12.334 51 HD2 PHE 7 HD2 PHE 7 3.906 13.715 16.513 52 HE1 PHE 7 HE1 PHE 7 6.093 13.677 12.115 53 HE2 PHE 7 HE2 PHE 7 6.166 12.783 16.264 54 HZ PHE 7 HZ PHE 7 7.261 12.773 14.067 55 H ILE 8 H ILE 8 0.994 13.354 16.731 56 HA ILE 8 HA ILE 8 2.147 10.795 16.876 57 HB ILE 8 HB ILE 8 0.054 12.008 18.748 58 HG12 ILE 8 2HG1 ILE 8 3.090 12.068 19.057 59 HG13 ILE 8 1HG1 ILE 8 2.147 13.402 18.413 60 HG21 ILE 8 1HG2 ILE 8 0.968 10.480 20.479 61 HG22 ILE 8 2HG2 ILE 8 2.010 9.735 19.266 62 HG23 ILE 8 3HG2 ILE 8 0.257 9.594 19.127 63 HD11 ILE 8 1HD1 ILE 8 1.929 12.273 21.201 64 HD12 ILE 8 2HD1 ILE 8 0.973 13.609 20.550 65 HD13 ILE 8 3HD1 ILE 8 2.719 13.778 20.728 66 H ASN 9 H ASN 9 -1.286 11.726 16.856 67 HA ASN 9 HA ASN 9 -2.488 9.244 17.188 68 HB2 ASN 9 2HB ASN 9 -3.562 11.669 15.681 69 HB3 ASN 9 1HB ASN 9 -4.546 10.292 16.176 70 HD21 ASN 9 1HD2 ASN 9 -4.730 13.133 16.866 71 HD22 ASN 9 2HD2 ASN 9 -4.693 13.204 18.590 72 H ARG 10 H ARG 10 -1.753 10.983 14.154 73 HA ARG 10 HA ARG 10 -2.976 9.052 12.454 74 HB2 ARG 10 2HB ARG 10 -1.021 11.298 11.808 75 HB3 ARG 10 1HB ARG 10 -1.828 10.311 10.587 76 HG2 ARG 10 2HG ARG 10 -4.018 11.128 11.325 77 HG3 ARG 10 1HG ARG 10 -3.261 12.060 12.620 78 HD2 ARG 10 2HD ARG 10 -2.886 12.504 9.637 79 HD3 ARG 10 1HD ARG 10 -3.827 13.517 10.739 80 HE ARG 10 HE ARG 10 -1.019 13.174 11.419 81 HH11 ARG 10 1HH1 ARG 10 -3.367 15.244 9.793 82 HH12 ARG 10 2HH1 ARG 10 -2.333 16.638 9.840 83 HH21 ARG 10 1HH2 ARG 10 0.298 15.005 11.474 84 HH22 ARG 10 2HH2 ARG 10 -0.267 16.498 10.791 85 H TRP 11 H TRP 11 0.460 9.630 13.385 86 HA TRP 11 HA TRP 11 1.546 7.571 11.776 87 HB2 TRP 11 2HB TRP 11 2.553 8.926 14.296 88 HB3 TRP 11 1HB TRP 11 3.437 7.568 13.602 89 HD1 TRP 11 HD1 TRP 11 3.441 11.202 13.472 90 HE1 TRP 11 HE1 TRP 11 4.673 12.063 11.394 91 HE3 TRP 11 HE3 TRP 11 3.627 6.873 10.751 92 HZ2 TRP 11 HZ2 TRP 11 5.607 11.081 8.953 93 HZ3 TRP 11 HZ3 TRP 11 4.714 6.925 8.540 94 HH2 TRP 11 HH2 TRP 11 5.681 8.998 7.668 95 H GLN 12 H GLN 12 0.274 7.508 15.110 96 HA GLN 12 HA GLN 12 0.688 4.824 15.743 97 HB2 GLN 12 2HB GLN 12 -0.194 6.457 17.378 98 HB3 GLN 12 1HB GLN 12 -1.698 6.583 16.472 99 HG2 GLN 12 2HG GLN 12 -2.113 4.151 16.935 100 HG3 GLN 12 1HG GLN 12 -0.662 4.143 17.939 101 HE21 GLN 12 1HE2 GLN 12 -1.889 3.540 19.754 102 HE22 GLN 12 2HE2 GLN 12 -2.939 4.640 20.569 103 H ARG 13 H ARG 13 -2.050 6.347 14.022 104 HA ARG 13 HA ARG 13 -3.552 4.025 13.535 105 HB2 ARG 13 2HB ARG 13 -3.432 6.594 11.894 106 HB3 ARG 13 1HB ARG 13 -4.652 5.344 11.704 107 HG2 ARG 13 2HG ARG 13 -4.259 7.130 14.127 108 HG3 ARG 13 1HG ARG 13 -5.564 7.212 12.950 109 HD2 ARG 13 2HD ARG 13 -6.339 4.981 13.671 110 HD3 ARG 13 1HD ARG 13 -5.050 4.919 14.874 111 HE ARG 13 HE ARG 13 -7.432 6.664 14.916 112 HH11 ARG 13 1HH1 ARG 13 -4.601 5.431 16.609 113 HH12 ARG 13 2HH1 ARG 13 -5.105 6.046 18.149 114 HH21 ARG 13 1HH2 ARG 13 -8.070 7.466 16.954 115 HH22 ARG 13 2HH2 ARG 13 -7.062 7.192 18.341 116 H ILE 14 H ILE 14 -0.928 5.546 11.667 117 HA ILE 14 HA ILE 14 -1.130 4.084 9.272 118 HB ILE 14 HB ILE 14 1.187 5.570 10.592 119 HG12 ILE 14 2HG1 ILE 14 -0.443 6.274 8.106 120 HG13 ILE 14 1HG1 ILE 14 -0.811 6.863 9.718 121 HG21 ILE 14 1HG2 ILE 14 2.453 5.462 8.479 122 HG22 ILE 14 2HG2 ILE 14 1.249 4.361 7.807 123 HG23 ILE 14 3HG2 ILE 14 2.230 3.857 9.183 124 HD11 ILE 14 1HD1 ILE 14 1.690 7.460 8.144 125 HD12 ILE 14 2HD1 ILE 14 1.340 8.036 9.777 126 HD13 ILE 14 3HD1 ILE 14 0.328 8.544 8.426 127 H ALA 15 H ALA 15 0.787 3.440 12.234 128 HA ALA 15 HA ALA 15 2.023 1.049 11.256 129 HB1 ALA 15 1HB ALA 15 3.011 2.374 13.064 130 HB2 ALA 15 2HB ALA 15 2.754 0.704 13.570 131 HB3 ALA 15 3HB ALA 15 1.656 1.977 14.120 132 H LEU 16 H LEU 16 -0.892 1.676 13.204 133 HA LEU 16 HA LEU 16 -1.483 -1.026 13.879 134 HB2 LEU 16 2HB LEU 16 -3.298 1.417 13.731 135 HB3 LEU 16 1HB LEU 16 -3.790 -0.127 14.411 136 HG LEU 16 HG LEU 16 -1.581 1.657 15.516 137 HD11 LEU 16 1HD1 LEU 16 -4.372 1.155 16.604 138 HD12 LEU 16 2HD1 LEU 16 -3.793 2.647 15.859 139 HD13 LEU 16 3HD1 LEU 16 -3.105 2.107 17.387 140 HD21 LEU 16 1HD2 LEU 16 -2.701 -0.934 16.634 141 HD22 LEU 16 2HD2 LEU 16 -1.536 0.122 17.438 142 HD23 LEU 16 3HD2 LEU 16 -1.091 -0.697 15.945 143 H LEU 17 H LEU 17 -2.445 1.062 11.199 144 HA LEU 17 HA LEU 17 -4.431 -0.669 10.094 145 HB2 LEU 17 2HB LEU 17 -2.990 1.761 8.943 146 HB3 LEU 17 1HB LEU 17 -4.231 0.885 8.062 147 HG LEU 17 HG LEU 17 -4.681 2.314 10.719 148 HD11 LEU 17 1HD1 LEU 17 -5.488 3.194 7.927 149 HD12 LEU 17 2HD1 LEU 17 -4.243 3.932 8.937 150 HD13 LEU 17 3HD1 LEU 17 -5.931 3.999 9.438 151 HD21 LEU 17 1HD2 LEU 17 -7.073 1.925 10.301 152 HD22 LEU 17 2HD2 LEU 17 -6.184 0.413 10.451 153 HD23 LEU 17 3HD2 LEU 17 -6.676 0.990 8.856 154 H SER 18 H SER 18 -1.025 0.114 9.217 155 HA SER 18 HA SER 18 -0.755 -1.535 6.981 156 HB2 SER 18 2HB SER 18 1.711 -1.518 7.478 157 HB3 SER 18 1HB SER 18 0.980 0.079 7.522 158 HG SER 18 HG SER 18 1.745 0.236 9.444 159 H GLN 19 H GLN 19 -0.238 -2.247 10.402 160 HA GLN 19 HA GLN 19 0.640 -4.899 10.284 161 HB2 GLN 19 2HB GLN 19 0.695 -3.425 12.271 162 HB3 GLN 19 1HB GLN 19 -1.059 -3.481 12.376 163 HG2 GLN 19 2HG GLN 19 -0.930 -5.906 12.869 164 HG3 GLN 19 1HG GLN 19 0.831 -5.813 12.792 165 HE21 GLN 19 1HE2 GLN 19 -1.285 -3.342 14.212 166 HE22 GLN 19 2HE2 GLN 19 -0.758 -3.571 15.837 167 H SER 20 H SER 20 -2.681 -3.648 10.693 168 HA SER 20 HA SER 20 -4.002 -6.129 10.868 169 HB2 SER 20 2HB SER 20 -5.117 -3.427 9.994 170 HB3 SER 20 1HB SER 20 -6.086 -4.828 10.458 171 HG SER 20 HG SER 20 -4.616 -3.078 12.034 172 H LEU 21 H LEU 21 -3.488 -3.964 8.064 173 HA LEU 21 HA LEU 21 -4.895 -5.684 6.251 174 HB2 LEU 21 2HB LEU 21 -4.336 -4.064 4.498 175 HB3 LEU 21 1HB LEU 21 -5.046 -3.313 5.907 176 HG LEU 21 HG LEU 21 -2.618 -2.656 6.561 177 HD11 LEU 21 1HD1 LEU 21 -1.049 -2.333 4.716 178 HD12 LEU 21 2HD1 LEU 21 -2.127 -3.229 3.640 179 HD13 LEU 21 3HD1 LEU 21 -1.375 -4.038 5.018 180 HD21 LEU 21 1HD2 LEU 21 -2.704 -0.607 5.219 181 HD22 LEU 21 2HD2 LEU 21 -4.289 -1.023 5.861 182 HD23 LEU 21 3HD2 LEU 21 -3.920 -1.338 4.163 183 H LEU 22 H LEU 22 -1.617 -5.501 7.343 184 HA LEU 22 HA LEU 22 -0.352 -6.912 5.215 185 HB2 LEU 22 2HB LEU 22 0.942 -5.765 6.983 186 HB3 LEU 22 1HB LEU 22 0.305 -6.871 8.190 187 HG LEU 22 HG LEU 22 1.490 -8.766 6.993 188 HD11 LEU 22 1HD1 LEU 22 1.668 -7.758 4.762 189 HD12 LEU 22 2HD1 LEU 22 3.241 -8.261 5.375 190 HD13 LEU 22 3HD1 LEU 22 2.799 -6.551 5.388 191 HD21 LEU 22 1HD2 LEU 22 2.461 -7.717 8.977 192 HD22 LEU 22 2HD2 LEU 22 3.270 -6.520 7.963 193 HD23 LEU 22 3HD2 LEU 22 3.714 -8.224 7.844 194 H GLU 23 H GLU 23 -1.878 -7.916 8.252 195 HA GLU 23 HA GLU 23 -1.748 -10.709 7.968 196 HB2 GLU 23 2HB GLU 23 -3.845 -8.984 9.356 197 HB3 GLU 23 1HB GLU 23 -3.655 -10.720 9.602 198 HG2 GLU 23 2HG GLU 23 -1.489 -10.417 10.628 199 HG3 GLU 23 1HG GLU 23 -1.451 -8.715 10.178 200 H LEU 24 H LEU 24 -4.152 -8.348 6.834 201 HA LEU 24 HA LEU 24 -6.005 -10.159 5.690 202 HB2 LEU 24 2HB LEU 24 -5.445 -7.249 4.974 203 HB3 LEU 24 1HB LEU 24 -6.850 -8.157 4.435 204 HG LEU 24 HG LEU 24 -6.224 -7.500 7.344 205 HD11 LEU 24 1HD1 LEU 24 -8.096 -5.909 7.233 206 HD12 LEU 24 2HD1 LEU 24 -8.262 -6.218 5.504 207 HD13 LEU 24 3HD1 LEU 24 -6.796 -5.468 6.129 208 HD21 LEU 24 1HD2 LEU 24 -8.491 -8.310 7.828 209 HD22 LEU 24 2HD2 LEU 24 -7.482 -9.581 7.141 210 HD23 LEU 24 3HD2 LEU 24 -8.692 -8.778 6.137 211 H ALA 25 H ALA 25 -3.088 -8.624 4.363 212 HA ALA 25 HA ALA 25 -3.493 -9.269 1.616 213 HB1 ALA 25 1HB ALA 25 -1.137 -8.645 1.313 214 HB2 ALA 25 2HB ALA 25 -0.881 -8.684 3.063 215 HB3 ALA 25 3HB ALA 25 -1.958 -7.481 2.352 216 H GLN 26 H GLN 26 -1.602 -10.840 4.205 217 HA GLN 26 HA GLN 26 -0.707 -13.016 2.526 218 HB2 GLN 26 2HB GLN 26 0.351 -13.905 4.556 219 HB3 GLN 26 1HB GLN 26 0.695 -12.191 4.364 220 HG2 GLN 26 2HG GLN 26 -1.093 -11.695 6.045 221 HG3 GLN 26 1HG GLN 26 -1.275 -13.428 6.302 222 HE21 GLN 26 1HE2 GLN 26 1.814 -11.763 5.794 223 HE22 GLN 26 2HE2 GLN 26 2.426 -12.046 7.382 224 H ARG 27 H ARG 27 -3.498 -12.417 4.507 225 HA ARG 27 HA ARG 27 -4.421 -15.163 4.540 226 HB2 ARG 27 2HB ARG 27 -5.289 -12.655 5.736 227 HB3 ARG 27 1HB ARG 27 -6.658 -13.347 4.895 228 HG2 ARG 27 2HG ARG 27 -5.043 -14.664 7.101 229 HG3 ARG 27 1HG ARG 27 -6.685 -14.029 7.206 230 HD2 ARG 27 2HD ARG 27 -5.764 -16.422 5.584 231 HD3 ARG 27 1HD ARG 27 -6.785 -16.445 7.023 232 HE ARG 27 HE ARG 27 -8.099 -14.856 5.155 233 HH11 ARG 27 1HH1 ARG 27 -7.096 -18.233 5.323 234 HH12 ARG 27 2HH1 ARG 27 -8.375 -18.779 4.292 235 HH21 ARG 27 1HH2 ARG 27 -9.739 -15.598 3.778 236 HH22 ARG 27 2HH2 ARG 27 -9.871 -17.291 3.417 237 H GLY 28 H GLY 28 -4.427 -12.590 2.244 238 HA2 GLY 28 2HA GLY 28 -5.060 -12.652 0.012 239 HA3 GLY 28 1HA GLY 28 -5.932 -14.149 0.294 240 H GLU 29 H GLU 29 -6.720 -11.817 2.596 241 HA GLU 29 HA GLU 29 -9.345 -11.269 1.619 242 HB2 GLU 29 2HB GLU 29 -7.801 -9.737 3.760 243 HB3 GLU 29 1HB GLU 29 -9.546 -9.765 3.541 244 HG2 GLU 29 2HG GLU 29 -7.797 -12.065 4.440 245 HG3 GLU 29 1HG GLU 29 -8.886 -11.116 5.453 246 H TRP 30 H TRP 30 -8.892 -10.413 -0.534 247 HA TRP 30 HA TRP 30 -7.230 -8.100 -0.893 248 HB2 TRP 30 2HB TRP 30 -9.220 -9.278 -2.883 249 HB3 TRP 30 1HB TRP 30 -7.902 -8.166 -3.250 250 HD1 TRP 30 HD1 TRP 30 -8.545 -11.548 -3.925 251 HE1 TRP 30 HE1 TRP 30 -6.471 -13.056 -3.872 252 HE3 TRP 30 HE3 TRP 30 -5.310 -8.470 -1.386 253 HZ2 TRP 30 HZ2 TRP 30 -3.850 -12.980 -2.906 254 HZ3 TRP 30 HZ3 TRP 30 -3.031 -9.278 -0.943 255 HH2 TRP 30 HH2 TRP 30 -2.318 -11.490 -1.690 256 H ASP 31 H ASP 31 -10.715 -8.659 -0.768 257 HA ASP 31 HA ASP 31 -11.749 -6.149 -1.369 258 HB2 ASP 31 2HB ASP 31 -12.736 -8.144 0.725 259 HB3 ASP 31 1HB ASP 31 -13.704 -6.844 0.040 260 H LEU 32 H LEU 32 -10.782 -7.480 1.758 261 HA LEU 32 HA LEU 32 -11.350 -5.165 3.319 262 HB2 LEU 32 2HB LEU 32 -9.648 -7.604 3.983 263 HB3 LEU 32 1HB LEU 32 -10.275 -6.443 5.146 264 HG LEU 32 HG LEU 32 -11.918 -8.395 3.479 265 HD11 LEU 32 1HD1 LEU 32 -12.473 -9.431 5.639 266 HD12 LEU 32 2HD1 LEU 32 -11.416 -8.284 6.468 267 HD13 LEU 32 3HD1 LEU 32 -10.736 -9.454 5.334 268 HD21 LEU 32 1HD2 LEU 32 -13.898 -7.572 4.712 269 HD22 LEU 32 2HD2 LEU 32 -13.181 -6.316 3.706 270 HD23 LEU 32 3HD2 LEU 32 -12.913 -6.308 5.452 271 H LEU 33 H LEU 33 -8.410 -6.493 1.832 272 HA LEU 33 HA LEU 33 -6.439 -4.841 2.969 273 HB2 LEU 33 2HB LEU 33 -5.947 -6.884 1.654 274 HB3 LEU 33 1HB LEU 33 -6.541 -6.103 0.198 275 HG LEU 33 HG LEU 33 -4.647 -4.438 0.381 276 HD11 LEU 33 1HD1 LEU 33 -4.192 -4.555 2.754 277 HD12 LEU 33 2HD1 LEU 33 -2.740 -4.978 1.852 278 HD13 LEU 33 3HD1 LEU 33 -3.701 -6.245 2.619 279 HD21 LEU 33 1HD2 LEU 33 -2.903 -5.953 -0.429 280 HD22 LEU 33 2HD2 LEU 33 -4.472 -6.368 -1.117 281 HD23 LEU 33 3HD2 LEU 33 -3.799 -7.344 0.194 282 H LEU 34 H LEU 34 -8.364 -4.435 0.032 283 HA LEU 34 HA LEU 34 -7.198 -1.950 -0.820 284 HB2 LEU 34 2HB LEU 34 -9.738 -3.392 -1.680 285 HB3 LEU 34 1HB LEU 34 -9.011 -2.040 -2.540 286 HG LEU 34 HG LEU 34 -7.630 -4.719 -2.105 287 HD11 LEU 34 1HD1 LEU 34 -9.574 -5.091 -3.498 288 HD12 LEU 34 2HD1 LEU 34 -8.113 -5.207 -4.473 289 HD13 LEU 34 3HD1 LEU 34 -9.119 -3.760 -4.564 290 HD21 LEU 34 1HD2 LEU 34 -6.877 -2.381 -3.878 291 HD22 LEU 34 2HD2 LEU 34 -6.050 -3.938 -3.816 292 HD23 LEU 34 3HD2 LEU 34 -6.052 -2.892 -2.401 293 H GLN 35 H GLN 35 -9.979 -2.900 1.113 294 HA GLN 35 HA GLN 35 -11.235 -0.345 1.265 295 HB2 GLN 35 2HB GLN 35 -12.318 -2.549 1.866 296 HB3 GLN 35 1HB GLN 35 -11.317 -2.614 3.310 297 HG2 GLN 35 2HG GLN 35 -13.589 -1.847 3.821 298 HG3 GLN 35 1HG GLN 35 -12.403 -0.598 4.188 299 HE21 GLN 35 1HE2 GLN 35 -13.608 -1.335 0.923 300 HE22 GLN 35 2HE2 GLN 35 -14.452 0.154 0.713 301 H GLN 36 H GLN 36 -8.628 -1.922 3.021 302 HA GLN 36 HA GLN 36 -8.302 0.153 5.022 303 HB2 GLN 36 2HB GLN 36 -6.639 -2.295 4.293 304 HB3 GLN 36 1HB GLN 36 -6.253 -1.209 5.621 305 HG2 GLN 36 2HG GLN 36 -8.820 -2.800 5.409 306 HG3 GLN 36 1HG GLN 36 -7.400 -3.304 6.321 307 HE21 GLN 36 1HE2 GLN 36 -10.189 -2.646 7.160 308 HE22 GLN 36 2HE2 GLN 36 -10.008 -1.469 8.407 309 H GLU 37 H GLU 37 -7.053 -0.531 1.835 310 HA GLU 37 HA GLU 37 -4.630 0.753 1.609 311 HB2 GLU 37 2HB GLU 37 -5.682 -0.420 -0.275 312 HB3 GLU 37 1HB GLU 37 -6.989 0.750 -0.324 313 HG2 GLU 37 2HG GLU 37 -5.225 2.496 -0.924 314 HG3 GLU 37 1HG GLU 37 -4.105 1.155 -1.145 315 H VAL 38 H VAL 38 -7.847 2.215 1.207 316 HA VAL 38 HA VAL 38 -6.998 4.804 0.572 317 HB VAL 38 HB VAL 38 -9.324 5.540 0.984 318 HG11 VAL 38 1HG1 VAL 38 -10.444 4.069 -0.655 319 HG12 VAL 38 2HG1 VAL 38 -9.163 2.867 -0.465 320 HG13 VAL 38 3HG1 VAL 38 -8.793 4.454 -1.146 321 HG21 VAL 38 1HG2 VAL 38 -9.840 4.240 3.016 322 HG22 VAL 38 2HG2 VAL 38 -9.834 2.745 2.082 323 HG23 VAL 38 3HG2 VAL 38 -11.063 3.976 1.768 324 H SER 39 H SER 39 -7.889 3.399 3.720 325 HA SER 39 HA SER 39 -7.870 5.792 5.239 326 HB2 SER 39 2HB SER 39 -7.389 2.933 6.215 327 HB3 SER 39 1HB SER 39 -7.991 4.292 7.171 328 HG SER 39 HG SER 39 -9.568 2.697 6.254 329 H TYR 40 H TYR 40 -5.550 3.170 4.888 330 HA TYR 40 HA TYR 40 -3.550 4.006 6.643 331 HB2 TYR 40 2HB TYR 40 -3.704 1.711 5.972 332 HB3 TYR 40 1HB TYR 40 -3.623 2.122 4.262 333 HD1 TYR 40 HD1 TYR 40 -1.435 2.899 7.241 334 HD2 TYR 40 HD2 TYR 40 -1.691 1.238 3.311 335 HE1 TYR 40 HE1 TYR 40 0.970 2.436 7.270 336 HE2 TYR 40 HE2 TYR 40 0.720 0.776 3.345 337 HH TYR 40 HH TYR 40 2.752 1.722 4.576 338 H LEU 41 H LEU 41 -3.552 4.142 3.071 339 HA LEU 41 HA LEU 41 -1.123 5.538 2.830 340 HB2 LEU 41 2HB LEU 41 -3.424 5.213 0.866 341 HB3 LEU 41 1HB LEU 41 -1.880 5.936 0.443 342 HG LEU 41 HG LEU 41 -2.256 3.050 1.372 343 HD11 LEU 41 1HD1 LEU 41 -1.741 2.412 -0.947 344 HD12 LEU 41 2HD1 LEU 41 -1.684 4.113 -1.414 345 HD13 LEU 41 3HD1 LEU 41 -3.200 3.401 -0.864 346 HD21 LEU 41 1HD2 LEU 41 0.106 2.738 0.732 347 HD22 LEU 41 2HD2 LEU 41 -0.063 3.912 2.034 348 HD23 LEU 41 3HD2 LEU 41 0.249 4.463 0.384 349 H GLN 42 H GLN 42 -4.535 6.709 2.918 350 HA GLN 42 HA GLN 42 -4.106 9.412 2.292 351 HB2 GLN 42 2HB GLN 42 -6.341 8.320 2.501 352 HB3 GLN 42 1HB GLN 42 -6.151 8.282 4.249 353 HG2 GLN 42 2HG GLN 42 -6.075 10.784 4.241 354 HG3 GLN 42 1HG GLN 42 -6.392 10.756 2.507 355 HE21 GLN 42 1HE2 GLN 42 -8.296 8.489 2.710 356 HE22 GLN 42 2HE2 GLN 42 -9.727 9.151 3.408 357 H SER 43 H SER 43 -3.887 7.740 5.415 358 HA SER 43 HA SER 43 -3.377 9.962 7.068 359 HB2 SER 43 2HB SER 43 -2.439 7.088 7.419 360 HB3 SER 43 1HB SER 43 -2.527 8.315 8.689 361 HG SER 43 HG SER 43 -4.528 6.806 7.546 362 H ILE 44 H ILE 44 -1.099 7.782 5.333 363 HA ILE 44 HA ILE 44 1.329 9.016 6.163 364 HB ILE 44 HB ILE 44 0.835 7.622 3.481 365 HG12 ILE 44 2HG1 ILE 44 1.732 6.350 6.118 366 HG13 ILE 44 1HG1 ILE 44 0.130 6.179 5.413 367 HG21 ILE 44 1HG2 ILE 44 3.260 7.110 3.562 368 HG22 ILE 44 2HG2 ILE 44 3.406 8.033 5.057 369 HG23 ILE 44 3HG2 ILE 44 2.964 8.851 3.558 370 HD11 ILE 44 1HD1 ILE 44 1.479 4.212 5.010 371 HD12 ILE 44 2HD1 ILE 44 2.707 5.179 4.197 372 HD13 ILE 44 3HD1 ILE 44 1.097 5.013 3.488 373 H GLU 45 H GLU 45 -0.760 9.586 3.373 374 HA GLU 45 HA GLU 45 0.778 11.472 1.979 375 HB2 GLU 45 2HB GLU 45 -2.245 11.002 2.008 376 HB3 GLU 45 1HB GLU 45 -1.437 12.072 0.865 377 HG2 GLU 45 2HG GLU 45 -0.216 10.208 -0.111 378 HG3 GLU 45 1HG GLU 45 -0.830 9.107 1.115 379 H THR 46 H THR 46 -1.745 11.854 4.494 380 HA THR 46 HA THR 46 -1.868 14.707 4.178 381 HB THR 46 HB THR 46 -3.857 13.307 4.873 382 HG1 THR 46 HG1 THR 46 -4.261 15.389 5.189 383 HG21 THR 46 1HG2 THR 46 -4.190 12.796 7.258 384 HG22 THR 46 2HG2 THR 46 -2.549 13.335 7.622 385 HG23 THR 46 3HG2 THR 46 -2.807 11.905 6.620 386 H VAL 47 H VAL 47 -0.114 12.541 6.448 387 HA VAL 47 HA VAL 47 0.778 14.685 8.141 388 HB VAL 47 HB VAL 47 2.537 13.217 9.010 389 HG11 VAL 47 1HG1 VAL 47 1.148 11.395 9.912 390 HG12 VAL 47 2HG1 VAL 47 -0.077 11.709 8.679 391 HG13 VAL 47 3HG1 VAL 47 0.275 12.929 9.905 392 HG21 VAL 47 1HG2 VAL 47 2.875 10.911 8.183 393 HG22 VAL 47 2HG2 VAL 47 3.280 12.110 6.955 394 HG23 VAL 47 3HG2 VAL 47 1.757 11.224 6.853 395 H MET 48 H MET 48 1.931 13.324 5.087 396 HA MET 48 HA MET 48 4.332 14.949 5.025 397 HB2 MET 48 2HB MET 48 2.989 13.249 2.891 398 HB3 MET 48 1HB MET 48 4.539 14.063 2.683 399 HG2 MET 48 2HG MET 48 3.919 11.896 4.706 400 HG3 MET 48 1HG MET 48 4.895 11.737 3.242 401 HE1 MET 48 1HE MET 48 7.493 11.517 6.261 402 HE2 MET 48 2HE MET 48 6.791 10.636 4.905 403 HE3 MET 48 3HE MET 48 5.815 10.982 6.336 404 H GLU 49 H GLU 49 1.003 15.402 3.905 405 HA GLU 49 HA GLU 49 1.623 17.750 2.328 406 HB2 GLU 49 2HB GLU 49 -1.096 16.930 3.456 407 HB3 GLU 49 1HB GLU 49 -0.808 18.176 2.245 408 HG2 GLU 49 2HG GLU 49 -0.637 15.185 1.952 409 HG3 GLU 49 1HG GLU 49 -1.571 16.333 1.008 410 H LYS 50 H LYS 50 0.949 17.058 5.674 411 HA LYS 50 HA LYS 50 0.850 19.849 6.487 412 HB2 LYS 50 2HB LYS 50 -0.309 17.861 7.697 413 HB3 LYS 50 1HB LYS 50 1.281 17.423 8.307 414 HG2 LYS 50 2HG LYS 50 -0.090 18.714 9.939 415 HG3 LYS 50 1HG LYS 50 1.438 19.516 9.548 416 HD2 LYS 50 2HD LYS 50 0.304 21.068 8.053 417 HD3 LYS 50 1HD LYS 50 -1.223 20.203 8.231 418 HE2 LYS 50 2HE LYS 50 0.199 21.598 10.523 419 HE3 LYS 50 1HE LYS 50 -1.058 22.344 9.535 420 HZ1 LYS 50 1HZ LYS 50 -1.333 19.992 11.305 421 HZ2 LYS 50 2HZ LYS 50 -2.521 20.457 10.208 422 HZ3 LYS 50 3HZ LYS 50 -2.085 21.493 11.465 423 H GLN 51 H GLN 51 3.217 17.837 5.366 424 HA GLN 51 HA GLN 51 5.407 17.992 5.030 425 HB2 GLN 51 2HB GLN 51 5.196 20.685 6.454 426 HB3 GLN 51 1HB GLN 51 6.641 20.111 5.625 427 HG2 GLN 51 2HG GLN 51 5.403 20.049 3.496 428 HG3 GLN 51 1HG GLN 51 3.950 20.609 4.314 429 HE21 GLN 51 1HE2 GLN 51 5.366 22.590 5.973 430 HE22 GLN 51 2HE2 GLN 51 5.807 23.863 4.900 431 H THR 52 H THR 52 4.137 17.088 7.725 432 HA THR 52 HA THR 52 4.680 16.193 9.703 433 HB THR 52 HB THR 52 7.444 16.049 8.439 434 HG1 THR 52 HG1 THR 52 5.881 14.741 7.458 435 HG21 THR 52 1HG2 THR 52 7.742 15.974 10.888 436 HG22 THR 52 2HG2 THR 52 8.040 14.392 10.165 437 HG23 THR 52 3HG2 THR 52 6.520 14.708 11.000 438 HA PRO 53 HA PRO 53 5.340 20.213 11.881 439 HB2 PRO 53 2HB PRO 53 4.849 18.234 14.141 440 HB3 PRO 53 1HB PRO 53 4.205 19.881 13.928 441 HG2 PRO 53 2HG PRO 53 2.664 17.808 13.379 442 HG3 PRO 53 1HG PRO 53 2.661 19.219 12.293 443 HD2 PRO 53 2HD PRO 53 3.932 16.528 11.896 444 HD3 PRO 53 1HD PRO 53 3.174 17.608 10.702 445 HA PRO 54 HA PRO 54 9.717 19.276 12.810 446 HB2 PRO 54 2HB PRO 54 10.625 21.833 13.128 447 HB3 PRO 54 1HB PRO 54 10.191 21.171 11.540 448 HG2 PRO 54 2HG PRO 54 8.561 22.938 13.340 449 HG3 PRO 54 1HG PRO 54 8.821 23.058 11.586 450 HD2 PRO 54 2HD PRO 54 6.574 21.941 12.661 451 HD3 PRO 54 1HD PRO 54 7.250 21.425 11.099 452 H GLY 55 H GLY 55 7.558 20.954 15.010 453 HA2 GLY 55 2HA GLY 55 9.461 21.128 17.211 454 HA3 GLY 55 1HA GLY 55 7.774 21.609 17.229 455 H ILE 56 H ILE 56 9.837 18.721 17.089 456 HA ILE 56 HA ILE 56 7.819 17.132 18.601 457 HB ILE 56 HB ILE 56 9.811 16.135 16.504 458 HG12 ILE 56 2HG1 ILE 56 8.068 17.376 15.356 459 HG13 ILE 56 1HG1 ILE 56 7.805 15.664 15.067 460 HG21 ILE 56 1HG2 ILE 56 9.380 14.428 18.193 461 HG22 ILE 56 2HG2 ILE 56 8.638 13.967 16.662 462 HG23 ILE 56 3HG2 ILE 56 7.636 14.601 17.970 463 HD11 ILE 56 1HD1 ILE 56 5.713 16.766 15.399 464 HD12 ILE 56 2HD1 ILE 56 6.251 17.455 16.931 465 HD13 ILE 56 3HD1 ILE 56 6.007 15.712 16.783 466 H THR 57 H THR 57 8.573 16.636 20.606 467 HA THR 57 HA THR 57 11.345 16.736 21.363 468 HB THR 57 HB THR 57 9.639 17.290 23.032 469 HG1 THR 57 HG1 THR 57 10.868 16.450 24.539 470 HG21 THR 57 1HG2 THR 57 8.145 15.594 24.004 471 HG22 THR 57 2HG2 THR 57 8.719 14.395 22.843 472 HG23 THR 57 3HG2 THR 57 7.812 15.806 22.287 473 H ARG 58 H ARG 58 12.365 14.815 22.495 474 HA ARG 58 HA ARG 58 12.704 12.779 20.535 475 HB2 ARG 58 2HB ARG 58 14.281 11.793 22.447 476 HB3 ARG 58 1HB ARG 58 14.724 13.234 21.550 477 HG2 ARG 58 2HG ARG 58 15.236 13.563 23.891 478 HG3 ARG 58 1HG ARG 58 13.940 14.654 23.411 479 HD2 ARG 58 2HD ARG 58 12.292 13.099 24.474 480 HD3 ARG 58 1HD ARG 58 13.638 12.097 25.032 481 HE ARG 58 HE ARG 58 14.237 14.592 25.973 482 HH11 ARG 58 1HH1 ARG 58 11.447 12.481 26.364 483 HH12 ARG 58 2HH1 ARG 58 11.030 13.113 27.927 484 HH21 ARG 58 1HH2 ARG 58 13.654 15.454 28.007 485 HH22 ARG 58 2HH2 ARG 58 12.287 14.802 28.858 486 H SER 59 H SER 59 10.618 12.932 23.302 487 HA SER 59 HA SER 59 10.211 10.117 23.696 488 HB2 SER 59 2HB SER 59 8.435 12.504 24.347 489 HB3 SER 59 1HB SER 59 8.153 10.857 24.920 490 HG SER 59 HG SER 59 9.773 11.028 26.280 491 H ILE 60 H ILE 60 8.546 12.614 21.838 492 HA ILE 60 HA ILE 60 6.500 10.904 20.766 493 HB ILE 60 HB ILE 60 7.388 13.721 19.967 494 HG12 ILE 60 2HG1 ILE 60 5.003 12.808 21.643 495 HG13 ILE 60 1HG1 ILE 60 6.492 13.481 22.297 496 HG21 ILE 60 1HG2 ILE 60 6.234 12.661 18.074 497 HG22 ILE 60 2HG2 ILE 60 5.215 13.913 18.784 498 HG23 ILE 60 3HG2 ILE 60 4.885 12.212 19.122 499 HD11 ILE 60 1HD1 ILE 60 4.515 14.917 20.536 500 HD12 ILE 60 2HD1 ILE 60 6.026 15.595 21.151 501 HD13 ILE 60 3HD1 ILE 60 4.746 15.132 22.272 502 H GLN 61 H GLN 61 9.591 12.204 19.685 503 HA GLN 61 HA GLN 61 9.627 11.257 17.036 504 HB2 GLN 61 2HB GLN 61 11.163 12.991 17.892 505 HB3 GLN 61 1HB GLN 61 11.938 11.818 18.951 506 HG2 GLN 61 2HG GLN 61 12.825 10.614 17.025 507 HG3 GLN 61 1HG GLN 61 11.953 11.678 15.921 508 HE21 GLN 61 1HE2 GLN 61 12.687 13.838 15.662 509 HE22 GLN 61 2HE2 GLN 61 14.284 14.312 16.119 510 H ASP 62 H ASP 62 10.512 9.759 20.133 511 HA ASP 62 HA ASP 62 11.562 7.308 19.175 512 HB2 ASP 62 2HB ASP 62 11.926 7.916 21.485 513 HB3 ASP 62 1HB ASP 62 10.202 8.061 21.794 514 H MET 63 H MET 63 8.242 8.176 20.238 515 HA MET 63 HA MET 63 6.988 5.704 19.853 516 HB2 MET 63 2HB MET 63 5.804 8.491 19.586 517 HB3 MET 63 1HB MET 63 4.844 7.019 19.620 518 HG2 MET 63 2HG MET 63 5.826 6.571 21.912 519 HG3 MET 63 1HG MET 63 6.494 8.202 21.851 520 HE1 MET 63 1HE MET 63 4.051 9.691 20.192 521 HE2 MET 63 2HE MET 63 4.907 10.418 21.557 522 HE3 MET 63 3HE MET 63 3.147 10.339 21.560 523 H VAL 64 H VAL 64 7.253 8.452 17.603 524 HA VAL 64 HA VAL 64 5.772 7.112 15.547 525 HB VAL 64 HB VAL 64 6.094 9.067 14.159 526 HG11 VAL 64 1HG1 VAL 64 4.351 9.139 15.901 527 HG12 VAL 64 2HG1 VAL 64 4.998 10.747 15.596 528 HG13 VAL 64 3HG1 VAL 64 5.489 9.862 17.043 529 HG21 VAL 64 1HG2 VAL 64 8.443 9.574 14.612 530 HG22 VAL 64 2HG2 VAL 64 8.055 10.069 16.261 531 HG23 VAL 64 3HG2 VAL 64 7.454 11.009 14.893 532 H ALA 65 H ALA 65 9.226 7.517 16.225 533 HA ALA 65 HA ALA 65 10.217 6.489 13.787 534 HB1 ALA 65 1HB ALA 65 11.689 7.499 15.474 535 HB2 ALA 65 2HB ALA 65 12.244 5.880 15.042 536 HB3 ALA 65 3HB ALA 65 11.390 6.148 16.567 537 H GLY 66 H GLY 66 8.965 4.898 16.705 538 HA2 GLY 66 2HA GLY 66 9.367 2.194 15.925 539 HA3 GLY 66 1HA GLY 66 8.177 2.771 17.084 540 H TYR 67 H TYR 67 6.663 4.456 15.436 541 HA TYR 67 HA TYR 67 4.862 2.616 14.265 542 HB2 TYR 67 2HB TYR 67 4.974 5.646 14.010 543 HB3 TYR 67 1HB TYR 67 3.619 4.653 13.482 544 HD1 TYR 67 HD1 TYR 67 3.996 6.964 15.756 545 HD2 TYR 67 HD2 TYR 67 3.415 2.730 15.806 546 HE1 TYR 67 HE1 TYR 67 2.979 7.131 17.987 547 HE2 TYR 67 HE2 TYR 67 2.392 2.903 18.036 548 HH TYR 67 HH TYR 67 1.472 5.885 19.439 549 H ILE 68 H ILE 68 7.210 4.881 12.816 550 HA ILE 68 HA ILE 68 6.539 4.400 10.089 551 HB ILE 68 HB ILE 68 9.218 5.426 11.188 552 HG12 ILE 68 2HG1 ILE 68 6.914 7.109 10.101 553 HG13 ILE 68 1HG1 ILE 68 7.207 6.860 11.812 554 HG21 ILE 68 1HG2 ILE 68 8.054 5.626 8.375 555 HG22 ILE 68 2HG2 ILE 68 9.419 4.622 8.868 556 HG23 ILE 68 3HG2 ILE 68 9.559 6.378 8.913 557 HD11 ILE 68 1HD1 ILE 68 9.131 8.192 9.900 558 HD12 ILE 68 2HD1 ILE 68 9.344 7.997 11.644 559 HD13 ILE 68 3HD1 ILE 68 8.045 9.015 11.024 560 H LYS 69 H LYS 69 8.959 3.046 12.336 561 HA LYS 69 HA LYS 69 10.463 1.514 10.544 562 HB2 LYS 69 2HB LYS 69 11.087 1.964 12.938 563 HB3 LYS 69 1HB LYS 69 9.862 0.805 13.451 564 HG2 LYS 69 2HG LYS 69 11.129 -0.950 12.072 565 HG3 LYS 69 1HG LYS 69 12.405 0.255 11.886 566 HD2 LYS 69 2HD LYS 69 13.017 -1.200 13.714 567 HD3 LYS 69 1HD LYS 69 12.592 0.370 14.396 568 HE2 LYS 69 2HE LYS 69 10.355 -0.516 15.010 569 HE3 LYS 69 1HE LYS 69 10.798 -2.090 14.338 570 HZ1 LYS 69 1HZ LYS 69 12.119 -0.729 16.632 571 HZ2 LYS 69 2HZ LYS 69 12.619 -2.194 15.963 572 HZ3 LYS 69 3HZ LYS 69 11.113 -2.084 16.708 573 H GLN 70 H GLN 70 7.604 0.568 12.484 574 HA GLN 70 HA GLN 70 7.490 -2.134 11.562 575 HB2 GLN 70 2HB GLN 70 5.372 -0.374 12.871 576 HB3 GLN 70 1HB GLN 70 5.165 -2.096 12.561 577 HG2 GLN 70 2HG GLN 70 7.102 -2.577 14.054 578 HG3 GLN 70 1HG GLN 70 7.245 -0.853 14.394 579 HE21 GLN 70 1HE2 GLN 70 4.163 -2.597 14.091 580 HE22 GLN 70 2HE2 GLN 70 3.712 -2.440 15.748 581 H THR 71 H THR 71 5.946 0.897 10.529 582 HA THR 71 HA THR 71 4.151 -0.340 8.703 583 HB THR 71 HB THR 71 4.060 2.075 9.807 584 HG1 THR 71 HG1 THR 71 3.146 1.479 7.180 585 HG21 THR 71 1HG2 THR 71 6.048 3.023 8.651 586 HG22 THR 71 2HG2 THR 71 4.569 3.897 8.260 587 HG23 THR 71 3HG2 THR 71 5.254 2.764 7.096 588 H LEU 72 H LEU 72 7.479 0.741 8.439 589 HA LEU 72 HA LEU 72 7.781 0.633 5.608 590 HB2 LEU 72 2HB LEU 72 9.782 0.337 7.886 591 HB3 LEU 72 1HB LEU 72 10.273 0.269 6.200 592 HG LEU 72 HG LEU 72 8.932 2.674 7.495 593 HD11 LEU 72 1HD1 LEU 72 11.870 2.267 6.817 594 HD12 LEU 72 2HD1 LEU 72 11.175 2.315 8.441 595 HD13 LEU 72 3HD1 LEU 72 11.133 3.755 7.428 596 HD21 LEU 72 1HD2 LEU 72 8.457 2.524 5.119 597 HD22 LEU 72 2HD2 LEU 72 10.168 2.299 4.751 598 HD23 LEU 72 3HD2 LEU 72 9.601 3.831 5.416 599 H ASP 73 H ASP 73 8.440 -1.691 8.212 600 HA ASP 73 HA ASP 73 9.424 -3.843 6.717 601 HB2 ASP 73 2HB ASP 73 9.599 -3.805 9.158 602 HB3 ASP 73 1HB ASP 73 7.848 -3.802 9.336 603 H ASN 74 H ASN 74 6.132 -3.140 7.807 604 HA ASN 74 HA ASN 74 4.843 -5.426 6.780 605 HB2 ASN 74 2HB ASN 74 3.765 -2.686 7.575 606 HB3 ASN 74 1HB ASN 74 2.738 -4.060 7.181 607 HD21 ASN 74 1HD2 ASN 74 5.696 -4.768 8.949 608 HD22 ASN 74 2HD2 ASN 74 4.944 -4.968 10.484 609 H GLU 75 H GLU 75 5.225 -2.135 5.488 610 HA GLU 75 HA GLU 75 3.561 -2.541 3.191 611 HB2 GLU 75 2HB GLU 75 3.796 -0.378 4.304 612 HB3 GLU 75 1HB GLU 75 5.507 -0.324 3.907 613 HG2 GLU 75 2HG GLU 75 5.052 0.019 1.595 614 HG3 GLU 75 1HG GLU 75 3.343 -0.375 1.797 615 H GLN 76 H GLN 76 6.961 -2.964 3.845 616 HA GLN 76 HA GLN 76 7.852 -3.273 1.133 617 HB2 GLN 76 2HB GLN 76 9.412 -2.804 3.007 618 HB3 GLN 76 1HB GLN 76 9.033 -4.363 3.728 619 HG2 GLN 76 2HG GLN 76 9.983 -5.472 1.687 620 HG3 GLN 76 1HG GLN 76 10.457 -3.883 1.091 621 HE21 GLN 76 1HE2 GLN 76 10.641 -4.945 4.470 622 HE22 GLN 76 2HE2 GLN 76 12.362 -4.919 4.564 623 H LEU 77 H LEU 77 6.592 -5.454 3.632 624 HA LEU 77 HA LEU 77 6.873 -7.888 2.164 625 HB2 LEU 77 2HB LEU 77 4.941 -7.265 4.434 626 HB3 LEU 77 1HB LEU 77 5.354 -8.868 3.848 627 HG LEU 77 HG LEU 77 7.176 -6.953 5.352 628 HD11 LEU 77 1HD1 LEU 77 6.088 -9.666 6.159 629 HD12 LEU 77 2HD1 LEU 77 5.559 -8.101 6.782 630 HD13 LEU 77 3HD1 LEU 77 7.196 -8.665 7.105 631 HD21 LEU 77 1HD2 LEU 77 8.910 -8.700 5.252 632 HD22 LEU 77 2HD2 LEU 77 8.513 -8.064 3.659 633 HD23 LEU 77 3HD2 LEU 77 7.894 -9.641 4.156 634 H LEU 78 H LEU 78 4.326 -5.424 2.402 635 HA LEU 78 HA LEU 78 2.316 -6.687 0.852 636 HB2 LEU 78 2HB LEU 78 2.967 -3.710 1.034 637 HB3 LEU 78 1HB LEU 78 1.479 -4.382 0.385 638 HG LEU 78 HG LEU 78 2.358 -4.635 3.284 639 HD11 LEU 78 1HD1 LEU 78 0.254 -2.796 2.104 640 HD12 LEU 78 2HD1 LEU 78 1.862 -2.298 2.635 641 HD13 LEU 78 3HD1 LEU 78 0.715 -2.941 3.804 642 HD21 LEU 78 1HD2 LEU 78 0.066 -5.422 3.695 643 HD22 LEU 78 2HD2 LEU 78 0.923 -6.492 2.591 644 HD23 LEU 78 3HD2 LEU 78 -0.278 -5.359 1.964 645 H LYS 79 H LYS 79 5.007 -4.522 -0.017 646 HA LYS 79 HA LYS 79 4.594 -4.203 -2.739 647 HB2 LYS 79 2HB LYS 79 6.240 -2.878 -1.529 648 HB3 LYS 79 1HB LYS 79 7.196 -4.306 -1.148 649 HG2 LYS 79 2HG LYS 79 7.770 -4.575 -3.528 650 HG3 LYS 79 1HG LYS 79 6.780 -3.170 -3.937 651 HD2 LYS 79 2HD LYS 79 8.272 -1.682 -2.728 652 HD3 LYS 79 1HD LYS 79 9.168 -3.050 -2.057 653 HE2 LYS 79 2HE LYS 79 10.384 -1.951 -3.913 654 HE3 LYS 79 1HE LYS 79 10.015 -3.637 -4.273 655 HZ1 LYS 79 1HZ LYS 79 8.457 -1.309 -5.259 656 HZ2 LYS 79 2HZ LYS 79 8.188 -2.923 -5.659 657 HZ3 LYS 79 3HZ LYS 79 9.606 -2.154 -6.158 658 H GLY 80 H GLY 80 6.588 -6.704 -1.116 659 HA2 GLY 80 2HA GLY 80 7.354 -8.113 -3.470 660 HA3 GLY 80 1HA GLY 80 7.471 -8.703 -1.822 661 H LEU 81 H LEU 81 4.780 -8.704 -1.081 662 HA LEU 81 HA LEU 81 3.954 -11.245 -2.022 663 HB2 LEU 81 2HB LEU 81 3.544 -10.168 0.249 664 HB3 LEU 81 1HB LEU 81 2.274 -9.215 -0.483 665 HG LEU 81 HG LEU 81 2.193 -12.273 -0.419 666 HD11 LEU 81 1HD1 LEU 81 0.995 -10.356 1.616 667 HD12 LEU 81 2HD1 LEU 81 2.363 -11.442 1.885 668 HD13 LEU 81 3HD1 LEU 81 0.767 -12.110 1.565 669 HD21 LEU 81 1HD2 LEU 81 -0.049 -10.242 -0.762 670 HD22 LEU 81 2HD2 LEU 81 -0.237 -11.998 -0.700 671 HD23 LEU 81 3HD2 LEU 81 0.634 -11.253 -2.036 672 H LEU 82 H LEU 82 2.510 -8.012 -2.461 673 HA LEU 82 HA LEU 82 0.533 -8.798 -4.325 674 HB2 LEU 82 2HB LEU 82 1.699 -6.018 -3.875 675 HB3 LEU 82 1HB LEU 82 0.206 -6.376 -4.728 676 HG LEU 82 HG LEU 82 0.708 -6.770 -1.745 677 HD11 LEU 82 1HD1 LEU 82 -1.072 -4.766 -3.183 678 HD12 LEU 82 2HD1 LEU 82 0.440 -4.412 -2.342 679 HD13 LEU 82 3HD1 LEU 82 -0.957 -4.981 -1.432 680 HD21 LEU 82 1HD2 LEU 82 -1.651 -7.405 -1.565 681 HD22 LEU 82 2HD2 LEU 82 -0.764 -8.534 -2.584 682 HD23 LEU 82 3HD2 LEU 82 -1.821 -7.327 -3.320 683 H GLN 83 H GLN 83 3.949 -7.931 -4.719 684 HA GLN 83 HA GLN 83 3.973 -7.405 -7.495 685 HB2 GLN 83 2HB GLN 83 5.941 -6.967 -6.071 686 HB3 GLN 83 1HB GLN 83 6.158 -8.692 -5.798 687 HG2 GLN 83 2HG GLN 83 6.651 -9.010 -8.200 688 HG3 GLN 83 1HG GLN 83 6.414 -7.286 -8.476 689 HE21 GLN 83 1HE2 GLN 83 8.082 -8.601 -5.644 690 HE22 GLN 83 2HE2 GLN 83 9.654 -8.046 -6.094 691 H GLN 84 H GLN 84 4.417 -10.440 -5.703 692 HA GLN 84 HA GLN 84 4.593 -12.231 -7.866 693 HB2 GLN 84 2HB GLN 84 3.292 -12.734 -5.156 694 HB3 GLN 84 1HB GLN 84 3.887 -13.968 -6.264 695 HG2 GLN 84 2HG GLN 84 6.195 -13.144 -5.933 696 HG3 GLN 84 1HG GLN 84 5.590 -11.911 -4.828 697 HE21 GLN 84 1HE2 GLN 84 4.404 -15.257 -4.936 698 HE22 GLN 84 2HE2 GLN 84 5.021 -15.702 -3.390 699 H ARG 85 H ARG 85 1.766 -11.073 -6.040 700 HA ARG 85 HA ARG 85 -0.216 -12.627 -7.258 701 HB2 ARG 85 2HB ARG 85 -0.479 -9.871 -5.998 702 HB3 ARG 85 1HB ARG 85 -1.819 -10.959 -6.331 703 HG2 ARG 85 2HG ARG 85 0.456 -11.739 -4.490 704 HG3 ARG 85 1HG ARG 85 -0.943 -10.835 -3.920 705 HD2 ARG 85 2HD ARG 85 -1.372 -13.089 -3.395 706 HD3 ARG 85 1HD ARG 85 -2.388 -12.726 -4.782 707 HE ARG 85 HE ARG 85 -0.204 -13.888 -5.911 708 HH11 ARG 85 1HH1 ARG 85 -2.296 -14.887 -3.245 709 HH12 ARG 85 2HH1 ARG 85 -2.085 -16.578 -3.564 710 HH21 ARG 85 1HH2 ARG 85 -0.008 -16.145 -6.332 711 HH22 ARG 85 2HH2 ARG 85 -0.804 -17.279 -5.288 712 H LEU 86 H LEU 86 0.852 -9.301 -8.044 713 HA LEU 86 HA LEU 86 -1.008 -8.867 -10.162 714 HB2 LEU 86 2HB LEU 86 1.565 -7.416 -9.411 715 HB3 LEU 86 1HB LEU 86 0.503 -6.882 -10.707 716 HG LEU 86 HG LEU 86 -0.209 -7.013 -7.749 717 HD11 LEU 86 1HD1 LEU 86 -0.344 -4.566 -7.883 718 HD12 LEU 86 2HD1 LEU 86 0.171 -4.613 -9.572 719 HD13 LEU 86 3HD1 LEU 86 1.271 -5.139 -8.295 720 HD21 LEU 86 1HD2 LEU 86 -1.929 -6.212 -10.113 721 HD22 LEU 86 2HD2 LEU 86 -2.346 -5.945 -8.422 722 HD23 LEU 86 3HD2 LEU 86 -2.172 -7.586 -9.030 723 H ASP 87 H ASP 87 2.221 -10.219 -10.009 724 HA ASP 87 HA ASP 87 2.858 -10.203 -12.778 725 HB2 ASP 87 2HB ASP 87 4.544 -10.627 -11.021 726 HB3 ASP 87 1HB ASP 87 3.726 -12.108 -10.546 727 H GLU 88 H GLU 88 1.231 -12.533 -10.675 728 HA GLU 88 HA GLU 88 0.708 -14.554 -12.624 729 HB2 GLU 88 2HB GLU 88 -0.588 -13.989 -9.929 730 HB3 GLU 88 1HB GLU 88 -0.836 -15.462 -10.862 731 HG2 GLU 88 2HG GLU 88 1.421 -16.175 -10.541 732 HG3 GLU 88 1HG GLU 88 1.925 -14.599 -9.937 733 H LEU 89 H LEU 89 -1.269 -11.914 -11.248 734 HA LEU 89 HA LEU 89 -3.696 -12.515 -12.552 735 HB2 LEU 89 2HB LEU 89 -2.682 -9.843 -11.466 736 HB3 LEU 89 1HB LEU 89 -4.322 -10.113 -12.034 737 HG LEU 89 HG LEU 89 -3.041 -11.471 -9.624 738 HD11 LEU 89 1HD1 LEU 89 -4.620 -10.144 -8.280 739 HD12 LEU 89 2HD1 LEU 89 -5.204 -9.339 -9.739 740 HD13 LEU 89 3HD1 LEU 89 -3.537 -9.107 -9.209 741 HD21 LEU 89 1HD2 LEU 89 -5.275 -12.418 -9.180 742 HD22 LEU 89 2HD2 LEU 89 -4.613 -12.994 -10.707 743 HD23 LEU 89 3HD2 LEU 89 -5.866 -11.750 -10.705 744 H SER 90 H SER 90 -0.981 -10.377 -13.433 745 HA SER 90 HA SER 90 -1.990 -9.275 -15.815 746 HB2 SER 90 2HB SER 90 0.063 -8.438 -14.711 747 HB3 SER 90 1HB SER 90 0.911 -9.932 -15.110 748 HG SER 90 HG SER 90 1.335 -8.194 -16.576 749 H SER 91 H SER 91 -0.051 -12.211 -15.231 750 HA SER 91 HA SER 91 0.187 -13.127 -17.868 751 HB2 SER 91 2HB SER 91 1.538 -14.014 -16.001 752 HB3 SER 91 1HB SER 91 0.103 -14.737 -15.282 753 HG SER 91 HG SER 91 0.379 -16.395 -16.535 754 H LEU 92 H LEU 92 -2.366 -13.735 -15.443 755 HA LEU 92 HA LEU 92 -3.885 -15.603 -16.918 756 HB2 LEU 92 2HB LEU 92 -4.713 -13.684 -14.704 757 HB3 LEU 92 1HB LEU 92 -5.782 -14.916 -15.357 758 HG LEU 92 HG LEU 92 -3.150 -15.482 -13.928 759 HD11 LEU 92 1HD1 LEU 92 -4.831 -14.590 -12.376 760 HD12 LEU 92 2HD1 LEU 92 -4.507 -16.292 -12.055 761 HD13 LEU 92 3HD1 LEU 92 -5.987 -15.821 -12.897 762 HD21 LEU 92 1HD2 LEU 92 -3.870 -17.840 -13.958 763 HD22 LEU 92 2HD2 LEU 92 -3.654 -17.202 -15.585 764 HD23 LEU 92 3HD2 LEU 92 -5.281 -17.403 -14.927 765 H ILE 93 H ILE 93 -4.202 -12.055 -16.585 766 HA ILE 93 HA ILE 93 -6.458 -11.630 -18.197 767 HB ILE 93 HB ILE 93 -4.086 -9.731 -17.761 768 HG12 ILE 93 2HG1 ILE 93 -6.767 -9.754 -16.290 769 HG13 ILE 93 1HG1 ILE 93 -5.295 -10.474 -15.653 770 HG21 ILE 93 1HG2 ILE 93 -6.893 -9.084 -18.762 771 HG22 ILE 93 2HG2 ILE 93 -5.405 -9.017 -19.711 772 HG23 ILE 93 3HG2 ILE 93 -5.647 -7.897 -18.372 773 HD11 ILE 93 1HD1 ILE 93 -5.698 -7.551 -16.279 774 HD12 ILE 93 2HD1 ILE 93 -4.216 -8.277 -15.650 775 HD13 ILE 93 3HD1 ILE 93 -5.689 -8.298 -14.682 776 H GLY 94 H GLY 94 -2.999 -11.798 -19.004 777 HA2 GLY 94 2HA GLY 94 -3.155 -10.990 -21.702 778 HA3 GLY 94 1HA GLY 94 -1.860 -11.939 -20.988 779 H GLN 95 H GLN 95 -3.608 -14.138 -20.191 780 HA GLN 95 HA GLN 95 -3.533 -15.631 -22.686 781 HB2 GLN 95 2HB GLN 95 -4.194 -16.483 -19.835 782 HB3 GLN 95 1HB GLN 95 -4.046 -17.590 -21.195 783 HG2 GLN 95 2HG GLN 95 -1.817 -15.837 -20.116 784 HG3 GLN 95 1HG GLN 95 -2.027 -17.551 -19.768 785 HE21 GLN 95 1HE2 GLN 95 -1.572 -19.068 -21.408 786 HE22 GLN 95 2HE2 GLN 95 -0.667 -18.653 -22.820 787 H VAL 96 H VAL 96 -6.023 -14.378 -20.476 788 HA VAL 96 HA VAL 96 -8.154 -15.865 -21.839 789 HB VAL 96 HB VAL 96 -9.697 -15.027 -20.125 790 HG11 VAL 96 1HG1 VAL 96 -8.740 -16.154 -18.145 791 HG12 VAL 96 2HG1 VAL 96 -7.136 -16.109 -18.883 792 HG13 VAL 96 3HG1 VAL 96 -8.421 -17.067 -19.624 793 HG21 VAL 96 1HG2 VAL 96 -7.356 -13.473 -18.955 794 HG22 VAL 96 2HG2 VAL 96 -8.953 -13.640 -18.218 795 HG23 VAL 96 3HG2 VAL 96 -8.769 -12.780 -19.747 796 H LEU 97 H LEU 97 -6.863 -12.606 -21.765 797 HA LEU 97 HA LEU 97 -9.151 -11.458 -23.206 798 HB2 LEU 97 2HB LEU 97 -7.578 -10.288 -21.364 799 HB3 LEU 97 1HB LEU 97 -6.574 -9.926 -22.749 800 HG LEU 97 HG LEU 97 -9.396 -8.932 -22.174 801 HD11 LEU 97 1HD1 LEU 97 -6.786 -7.427 -22.530 802 HD12 LEU 97 2HD1 LEU 97 -7.624 -7.739 -21.006 803 HD13 LEU 97 3HD1 LEU 97 -8.370 -6.706 -22.220 804 HD21 LEU 97 1HD2 LEU 97 -7.863 -8.461 -24.749 805 HD22 LEU 97 2HD2 LEU 97 -9.371 -7.670 -24.280 806 HD23 LEU 97 3HD2 LEU 97 -9.342 -9.407 -24.572 807 H PHE 98 H PHE 98 -9.224 -11.999 -25.306 808 HA PHE 98 HA PHE 98 -6.831 -12.158 -26.975 809 HB2 PHE 98 2HB PHE 98 -9.772 -12.361 -27.782 810 HB3 PHE 98 1HB PHE 98 -8.382 -12.811 -28.770 811 HD1 PHE 98 HD1 PHE 98 -6.880 -14.732 -27.924 812 HD2 PHE 98 HD2 PHE 98 -10.780 -13.971 -26.328 813 HE1 PHE 98 HE1 PHE 98 -6.957 -17.015 -27.006 814 HE2 PHE 98 HE2 PHE 98 -10.847 -16.258 -25.418 815 HZ PHE 98 HZ PHE 98 -8.938 -17.778 -25.754 816 H GLN 99 H GLN 99 -6.060 -10.037 -26.753 817 HA GLN 99 HA GLN 99 -7.756 -7.746 -27.371 818 HB2 GLN 99 2HB GLN 99 -5.688 -6.407 -26.738 819 HB3 GLN 99 1HB GLN 99 -6.361 -7.425 -25.477 820 HG2 GLN 99 2HG GLN 99 -4.029 -7.648 -25.275 821 HG3 GLN 99 1HG GLN 99 -4.567 -9.136 -26.043 822 HE21 GLN 99 1HE2 GLN 99 -4.099 -6.030 -27.697 823 HE22 GLN 99 2HE2 GLN 99 -2.758 -6.542 -28.655 824 H GLY 100 H GLY 100 -6.565 -9.804 -29.407 825 HA2 GLY 100 2HA GLY 100 -6.822 -8.433 -31.715 826 HA3 GLY 100 1HA GLY 100 -5.136 -8.138 -31.298 827 HA PRO 101 HA PRO 101 -3.743 -12.062 -32.898 828 HB2 PRO 101 2HB PRO 101 -2.712 -12.860 -30.171 829 HB3 PRO 101 1HB PRO 101 -1.849 -12.769 -31.722 830 HG2 PRO 101 2HG PRO 101 -1.438 -10.890 -29.905 831 HG3 PRO 101 1HG PRO 101 -1.612 -10.439 -31.620 832 HD2 PRO 101 2HD PRO 101 -3.662 -10.241 -29.409 833 HD3 PRO 101 1HD PRO 101 -3.249 -9.063 -30.679 834 H SER 102 H SER 102 -4.439 -14.132 -33.202 835 HA SER 102 HA SER 102 -5.611 -16.041 -33.133 836 HB2 SER 102 2HB SER 102 -6.368 -15.409 -30.248 837 HB3 SER 102 1HB SER 102 -6.622 -16.949 -31.075 838 HG SER 102 HG SER 102 -4.355 -15.939 -29.920 839 H ALA 103 H ALA 103 -7.349 -13.266 -31.693 840 HA ALA 103 HA ALA 103 -9.953 -14.034 -32.548 841 HB1 ALA 103 1HB ALA 103 -9.596 -12.443 -30.711 842 HB2 ALA 103 2HB ALA 103 -10.580 -11.710 -31.978 843 HB3 ALA 103 3HB ALA 103 -8.873 -11.279 -31.827 844 H GLY 104 H GLY 104 -10.909 -13.840 -34.535 845 HA2 GLY 104 2HA GLY 104 -9.322 -12.886 -36.794 846 HA3 GLY 104 1HA GLY 104 -10.851 -13.748 -36.871 847 H LEU 105 H LEU 105 -10.046 -10.767 -35.147 848 HA LEU 105 HA LEU 105 -11.341 -8.921 -36.857 849 HB2 LEU 105 2HB LEU 105 -13.229 -8.360 -35.186 850 HB3 LEU 105 1HB LEU 105 -13.441 -9.791 -36.174 851 HG LEU 105 HG LEU 105 -12.533 -11.115 -34.087 852 HD11 LEU 105 1HD1 LEU 105 -11.765 -9.246 -32.730 853 HD12 LEU 105 2HD1 LEU 105 -13.038 -10.134 -31.898 854 HD13 LEU 105 3HD1 LEU 105 -13.401 -8.585 -32.667 855 HD21 LEU 105 1HD2 LEU 105 -14.823 -11.318 -34.920 856 HD22 LEU 105 2HD2 LEU 105 -15.302 -9.885 -34.005 857 HD23 LEU 105 3HD2 LEU 105 -14.788 -11.345 -33.157 858 H VAL 106 H VAL 106 -11.452 -6.727 -35.738 859 HA VAL 106 HA VAL 106 -9.222 -6.352 -33.871 860 HB VAL 106 HB VAL 106 -11.029 -4.286 -35.225 861 HG11 VAL 106 1HG1 VAL 106 -8.431 -3.831 -33.706 862 HG12 VAL 106 2HG1 VAL 106 -10.044 -3.385 -33.153 863 HG13 VAL 106 3HG1 VAL 106 -9.350 -2.595 -34.569 864 HG21 VAL 106 1HG2 VAL 106 -8.215 -5.174 -35.989 865 HG22 VAL 106 2HG2 VAL 106 -9.119 -3.861 -36.749 866 HG23 VAL 106 3HG2 VAL 106 -9.700 -5.521 -36.883 867 HA PRO 107 HA PRO 107 -12.573 -6.337 -30.706 868 HB2 PRO 107 2HB PRO 107 -11.280 -7.711 -28.797 869 HB3 PRO 107 1HB PRO 107 -11.723 -8.508 -30.320 870 HG2 PRO 107 2HG PRO 107 -9.050 -7.558 -29.407 871 HG3 PRO 107 1HG PRO 107 -9.466 -8.956 -30.418 872 HD2 PRO 107 2HD PRO 107 -8.605 -6.367 -31.321 873 HD3 PRO 107 1HD PRO 107 -9.156 -7.731 -32.319 874 H ARG 108 H ARG 108 -10.652 -4.056 -31.155 875 HA ARG 108 HA ARG 108 -9.772 -3.133 -28.570 876 HB2 ARG 108 2HB ARG 108 -8.524 -2.509 -30.571 877 HB3 ARG 108 1HB ARG 108 -9.937 -1.738 -31.277 878 HG2 ARG 108 2HG ARG 108 -9.851 0.064 -29.681 879 HG3 ARG 108 1HG ARG 108 -8.650 -0.783 -28.704 880 HD2 ARG 108 2HD ARG 108 -7.686 1.071 -30.052 881 HD3 ARG 108 1HD ARG 108 -6.962 -0.498 -30.417 882 HE ARG 108 HE ARG 108 -9.091 0.664 -32.122 883 HH11 ARG 108 1HH1 ARG 108 -5.833 -0.646 -31.816 884 HH12 ARG 108 2HH1 ARG 108 -5.560 -0.676 -33.530 885 HH21 ARG 108 1HH2 ARG 108 -8.709 0.631 -34.359 886 HH22 ARG 108 2HH2 ARG 108 -7.190 0.050 -34.974 887 H GLY 109 H GLY 109 -11.595 -3.185 -27.317 888 HA2 GLY 109 2HA GLY 109 -13.380 -0.859 -27.539 889 HA3 GLY 109 1HA GLY 109 -14.120 -2.458 -27.479 890 H SER 110 H SER 110 -12.099 -0.165 -25.750 891 HA SER 110 HA SER 110 -12.092 -1.553 -23.241 892 HB2 SER 110 2HB SER 110 -11.199 0.676 -22.388 893 HB3 SER 110 1HB SER 110 -10.273 -0.038 -23.707 894 HG SER 110 HG SER 110 -12.311 1.876 -24.195 895 H GLY 111 H GLY 111 -14.155 -2.004 -22.577 896 HA2 GLY 111 2HA GLY 111 -15.607 -0.185 -21.045 897 HA3 GLY 111 1HA GLY 111 -16.381 -0.224 -22.632 898 H GLY 112 H GLY 112 -16.391 -2.692 -23.474 899 HA2 GLY 112 2HA GLY 112 -16.944 -4.741 -21.569 900 HA3 GLY 112 1HA GLY 112 -18.441 -3.996 -22.114 901 H ILE 113 H ILE 113 -16.045 -6.297 -22.819 902 HA ILE 113 HA ILE 113 -16.479 -6.602 -25.646 903 HB ILE 113 HB ILE 113 -15.351 -8.659 -23.669 904 HG12 ILE 113 2HG1 ILE 113 -13.068 -7.881 -24.814 905 HG13 ILE 113 1HG1 ILE 113 -13.949 -6.399 -25.148 906 HG21 ILE 113 1HG2 ILE 113 -15.081 -8.568 -26.701 907 HG22 ILE 113 2HG2 ILE 113 -16.066 -9.703 -25.775 908 HG23 ILE 113 3HG2 ILE 113 -14.310 -9.742 -25.630 909 HD11 ILE 113 1HD1 ILE 113 -13.448 -7.583 -22.413 910 HD12 ILE 113 2HD1 ILE 113 -14.279 -6.060 -22.746 911 HD13 ILE 113 3HD1 ILE 113 -12.570 -6.238 -23.143 912 H GLU 114 H GLU 114 -17.721 -8.313 -26.640 913 HA GLU 114 HA GLU 114 -20.143 -9.094 -25.241 914 HB2 GLU 114 2HB GLU 114 -20.786 -10.005 -27.525 915 HB3 GLU 114 1HB GLU 114 -20.439 -8.281 -27.482 916 HG2 GLU 114 2HG GLU 114 -18.087 -8.880 -28.319 917 HG3 GLU 114 1HG GLU 114 -18.716 -10.498 -28.615 918 H GLY 115 H GLY 115 -19.725 -10.706 -23.771 919 HA2 GLY 115 2HA GLY 115 -20.003 -13.273 -24.128 920 HA3 GLY 115 1HA GLY 115 -18.316 -13.165 -24.621 921 H SER 428 H SER 428 -18.484 -14.840 -22.769 922 HA SER 428 HA SER 428 -18.512 -13.840 -20.060 923 HB2 SER 428 2HB SER 428 -19.207 -16.189 -20.757 924 HB3 SER 428 1HB SER 428 -17.500 -16.564 -20.996 925 HG SER 428 HG SER 428 -18.966 -16.238 -18.663 926 H ILE 429 H ILE 429 -16.146 -14.200 -22.546 927 HA ILE 429 HA ILE 429 -13.718 -14.078 -21.218 928 HB ILE 429 HB ILE 429 -13.806 -14.310 -23.618 929 HG12 ILE 429 2HG1 ILE 429 -11.800 -12.922 -22.549 930 HG13 ILE 429 1HG1 ILE 429 -11.930 -13.106 -24.286 931 HG21 ILE 429 1HG2 ILE 429 -14.991 -11.530 -23.803 932 HG22 ILE 429 2HG2 ILE 429 -15.811 -13.058 -24.131 933 HG23 ILE 429 3HG2 ILE 429 -14.493 -12.526 -25.176 934 HD11 ILE 429 1HD1 ILE 429 -12.767 -10.638 -22.743 935 HD12 ILE 429 2HD1 ILE 429 -12.770 -10.831 -24.499 936 HD13 ILE 429 3HD1 ILE 429 -11.247 -10.853 -23.613 937 H ASP 430 H ASP 430 -16.035 -11.471 -21.907 938 HA ASP 430 HA ASP 430 -14.600 -9.266 -20.959 939 HB2 ASP 430 2HB ASP 430 -16.630 -9.036 -22.281 940 HB3 ASP 430 1HB ASP 430 -17.593 -9.815 -21.032 941 H GLU 431 H GLU 431 -16.642 -11.610 -19.266 942 HA GLU 431 HA GLU 431 -16.851 -10.244 -16.779 943 HB2 GLU 431 2HB GLU 431 -17.262 -13.188 -17.490 944 HB3 GLU 431 1HB GLU 431 -17.682 -12.474 -15.933 945 HG2 GLU 431 2HG GLU 431 -19.288 -10.963 -17.037 946 HG3 GLU 431 1HG GLU 431 -18.841 -11.626 -18.605 947 H THR 432 H THR 432 -14.877 -13.131 -17.695 948 HA THR 432 HA THR 432 -13.478 -13.284 -15.256 949 HB THR 432 HB THR 432 -13.563 -15.225 -16.726 950 HG1 THR 432 HG1 THR 432 -11.685 -14.862 -15.287 951 HG21 THR 432 1HG2 THR 432 -13.424 -14.128 -18.929 952 HG22 THR 432 2HG2 THR 432 -12.210 -15.400 -18.777 953 HG23 THR 432 3HG2 THR 432 -11.736 -13.707 -18.622 954 H VAL 433 H VAL 433 -12.610 -11.620 -18.304 955 HA VAL 433 HA VAL 433 -10.054 -10.717 -17.545 956 HB VAL 433 HB VAL 433 -12.075 -9.512 -19.487 957 HG11 VAL 433 1HG1 VAL 433 -10.635 -7.670 -18.723 958 HG12 VAL 433 2HG1 VAL 433 -10.242 -8.097 -20.386 959 HG13 VAL 433 3HG1 VAL 433 -9.189 -8.623 -19.070 960 HG21 VAL 433 1HG2 VAL 433 -11.151 -11.706 -20.130 961 HG22 VAL 433 2HG2 VAL 433 -9.510 -11.072 -19.978 962 HG23 VAL 433 3HG2 VAL 433 -10.591 -10.440 -21.223 963 H ALA 434 H ALA 434 -13.279 -9.181 -17.192 964 HA ALA 434 HA ALA 434 -12.421 -6.740 -16.108 965 HB1 ALA 434 1HB ALA 434 -15.064 -8.157 -15.619 966 HB2 ALA 434 2HB ALA 434 -14.693 -7.100 -16.981 967 HB3 ALA 434 3HB ALA 434 -14.732 -6.437 -15.349 968 H ARG 435 H ARG 435 -13.010 -9.873 -14.539 969 HA ARG 435 HA ARG 435 -13.007 -8.882 -11.852 970 HB2 ARG 435 2HB ARG 435 -12.338 -11.723 -12.735 971 HB3 ARG 435 1HB ARG 435 -12.847 -11.206 -11.131 972 HG2 ARG 435 2HG ARG 435 -14.506 -11.431 -13.643 973 HG3 ARG 435 1HG ARG 435 -14.742 -12.240 -12.101 974 HD2 ARG 435 2HD ARG 435 -15.473 -10.172 -11.063 975 HD3 ARG 435 1HD ARG 435 -15.056 -9.241 -12.505 976 HE ARG 435 HE ARG 435 -17.137 -11.339 -12.603 977 HH11 ARG 435 1HH1 ARG 435 -16.253 -7.941 -13.008 978 HH12 ARG 435 2HH1 ARG 435 -17.772 -7.522 -13.731 979 HH21 ARG 435 1HH2 ARG 435 -19.121 -10.746 -13.513 980 HH22 ARG 435 2HH2 ARG 435 -19.388 -9.107 -14.015 981 H TYR 436 H TYR 436 -10.512 -10.581 -13.807 982 HA TYR 436 HA TYR 436 -8.439 -10.306 -11.851 983 HB2 TYR 436 2HB TYR 436 -8.299 -10.950 -14.826 984 HB3 TYR 436 1HB TYR 436 -6.905 -11.002 -13.749 985 HD1 TYR 436 HD1 TYR 436 -7.573 -12.384 -11.415 986 HD2 TYR 436 HD2 TYR 436 -9.124 -13.101 -15.337 987 HE1 TYR 436 HE1 TYR 436 -8.085 -14.701 -10.792 988 HE2 TYR 436 HE2 TYR 436 -9.639 -15.423 -14.704 989 HH TYR 436 HH TYR 436 -8.924 -17.097 -13.048 990 H LYS 437 H LYS 437 -9.640 -8.216 -14.333 991 HA LYS 437 HA LYS 437 -7.348 -6.487 -14.602 992 HB2 LYS 437 2HB LYS 437 -8.967 -6.756 -16.441 993 HB3 LYS 437 1HB LYS 437 -10.269 -6.141 -15.433 994 HG2 LYS 437 2HG LYS 437 -9.166 -3.910 -15.397 995 HG3 LYS 437 1HG LYS 437 -7.883 -4.539 -16.440 996 HD2 LYS 437 2HD LYS 437 -9.499 -4.973 -18.241 997 HD3 LYS 437 1HD LYS 437 -10.841 -4.499 -17.194 998 HE2 LYS 437 2HE LYS 437 -8.613 -2.641 -18.093 999 HE3 LYS 437 1HE LYS 437 -10.210 -2.738 -18.832 1000 HZ1 LYS 437 1HZ LYS 437 -9.666 -1.986 -16.014 1001 HZ2 LYS 437 2HZ LYS 437 -11.185 -2.047 -16.741 1002 HZ3 LYS 437 3HZ LYS 437 -10.045 -0.913 -17.262 1003 H ALA 438 H ALA 438 -10.424 -6.443 -12.821 1004 HA ALA 438 HA ALA 438 -10.096 -3.895 -11.593 1005 HB1 ALA 438 1HB ALA 438 -11.751 -6.273 -10.684 1006 HB2 ALA 438 2HB ALA 438 -12.287 -4.981 -11.758 1007 HB3 ALA 438 3HB ALA 438 -11.898 -4.617 -10.078 1008 H GLN 439 H GLN 439 -9.465 -7.230 -10.447 1009 HA GLN 439 HA GLN 439 -8.378 -6.599 -7.933 1010 HB2 GLN 439 2HB GLN 439 -7.813 -8.979 -9.754 1011 HB3 GLN 439 1HB GLN 439 -7.268 -8.869 -8.085 1012 HG2 GLN 439 2HG GLN 439 -10.139 -9.014 -9.051 1013 HG3 GLN 439 1HG GLN 439 -9.231 -10.275 -8.221 1014 HE21 GLN 439 1HE2 GLN 439 -10.997 -7.315 -7.865 1015 HE22 GLN 439 2HE2 GLN 439 -11.040 -7.301 -6.139 1016 H PHE 440 H PHE 440 -6.854 -6.914 -11.141 1017 HA PHE 440 HA PHE 440 -4.170 -6.588 -10.376 1018 HB2 PHE 440 2HB PHE 440 -4.873 -7.377 -12.640 1019 HB3 PHE 440 1HB PHE 440 -5.459 -5.764 -13.020 1020 HD1 PHE 440 HD1 PHE 440 -2.393 -7.735 -12.225 1021 HD2 PHE 440 HD2 PHE 440 -3.936 -4.093 -13.860 1022 HE1 PHE 440 HE1 PHE 440 -0.152 -7.148 -13.050 1023 HE2 PHE 440 HE2 PHE 440 -1.688 -3.520 -14.682 1024 HZ PHE 440 HZ PHE 440 0.203 -5.043 -14.274 1025 H THR 441 H THR 441 -6.538 -4.185 -11.550 1026 HA THR 441 HA THR 441 -4.848 -1.928 -11.560 1027 HB THR 441 HB THR 441 -7.889 -2.192 -11.568 1028 HG1 THR 441 HG1 THR 441 -6.641 -3.027 -13.365 1029 HG21 THR 441 1HG2 THR 441 -7.992 0.125 -12.450 1030 HG22 THR 441 2HG2 THR 441 -6.261 0.320 -12.173 1031 HG23 THR 441 3HG2 THR 441 -7.352 0.105 -10.803 1032 H GLN 442 H GLN 442 -6.923 -3.248 -9.041 1033 HA GLN 442 HA GLN 442 -6.824 -0.905 -7.338 1034 HB2 GLN 442 2HB GLN 442 -7.892 -3.720 -6.964 1035 HB3 GLN 442 1HB GLN 442 -7.978 -2.492 -5.704 1036 HG2 GLN 442 2HG GLN 442 -9.419 -1.103 -7.043 1037 HG3 GLN 442 1HG GLN 442 -9.197 -2.133 -8.457 1038 HE21 GLN 442 1HE2 GLN 442 -9.454 -4.644 -7.094 1039 HE22 GLN 442 2HE2 GLN 442 -11.103 -4.808 -6.637 1040 H LEU 443 H LEU 443 -5.391 -4.221 -7.192 1041 HA LEU 443 HA LEU 443 -3.680 -3.653 -4.967 1042 HB2 LEU 443 2HB LEU 443 -3.658 -5.823 -7.084 1043 HB3 LEU 443 1HB LEU 443 -2.327 -5.675 -5.957 1044 HG LEU 443 HG LEU 443 -3.884 -6.114 -4.053 1045 HD11 LEU 443 1HD1 LEU 443 -6.140 -6.938 -4.391 1046 HD12 LEU 443 2HD1 LEU 443 -6.015 -6.666 -6.131 1047 HD13 LEU 443 3HD1 LEU 443 -5.990 -5.297 -5.020 1048 HD21 LEU 443 1HD2 LEU 443 -2.619 -7.959 -5.047 1049 HD22 LEU 443 2HD2 LEU 443 -3.912 -8.251 -6.214 1050 HD23 LEU 443 3HD2 LEU 443 -4.196 -8.521 -4.492 1051 H ASP 444 H ASP 444 -3.547 -2.807 -8.297 1052 HA ASP 444 HA ASP 444 -0.713 -2.306 -8.540 1053 HB2 ASP 444 2HB ASP 444 -1.948 -2.874 -10.546 1054 HB3 ASP 444 1HB ASP 444 -3.106 -1.583 -10.287 1055 H THR 445 H THR 445 -3.639 -0.204 -8.203 1056 HA THR 445 HA THR 445 -2.162 2.214 -8.015 1057 HB THR 445 HB THR 445 -4.553 2.339 -8.582 1058 HG1 THR 445 HG1 THR 445 -4.184 3.643 -6.071 1059 HG21 THR 445 1HG2 THR 445 -6.322 2.062 -6.895 1060 HG22 THR 445 2HG2 THR 445 -5.130 1.515 -5.713 1061 HG23 THR 445 3HG2 THR 445 -5.457 0.544 -7.150 1062 H MET 446 H MET 446 -3.243 -0.166 -5.624 1063 HA MET 446 HA MET 446 -2.379 1.133 -3.292 1064 HB2 MET 446 2HB MET 446 -3.731 -1.004 -3.312 1065 HB3 MET 446 1HB MET 446 -2.283 -1.881 -3.797 1066 HG2 MET 446 2HG MET 446 -1.162 -1.115 -1.717 1067 HG3 MET 446 1HG MET 446 -2.656 -0.319 -1.227 1068 HE1 MET 446 1HE MET 446 -2.500 -1.571 1.103 1069 HE2 MET 446 2HE MET 446 -1.001 -2.333 0.562 1070 HE3 MET 446 3HE MET 446 -2.290 -3.313 1.249 1071 H MET 447 H MET 447 -0.667 -1.133 -5.480 1072 HA MET 447 HA MET 447 1.749 -1.313 -4.084 1073 HB2 MET 447 2HB MET 447 1.340 -2.954 -5.763 1074 HB3 MET 447 1HB MET 447 1.119 -1.746 -7.020 1075 HG2 MET 447 2HG MET 447 3.466 -1.285 -7.128 1076 HG3 MET 447 1HG MET 447 3.784 -2.151 -5.625 1077 HE1 MET 447 1HE MET 447 2.175 -4.688 -5.801 1078 HE2 MET 447 2HE MET 447 3.893 -4.720 -5.388 1079 HE3 MET 447 3HE MET 447 3.254 -5.815 -6.609 1080 H SER 448 H SER 448 0.871 0.860 -6.743 1081 HA SER 448 HA SER 448 3.418 2.024 -7.113 1082 HB2 SER 448 2HB SER 448 2.076 3.785 -8.357 1083 HB3 SER 448 1HB SER 448 1.774 2.124 -8.872 1084 HG SER 448 HG SER 448 -0.226 2.371 -8.315 1085 H LYS 449 H LYS 449 0.511 3.101 -5.318 1086 HA LYS 449 HA LYS 449 1.660 5.482 -4.292 1087 HB2 LYS 449 2HB LYS 449 -0.672 3.819 -3.288 1088 HB3 LYS 449 1HB LYS 449 -0.207 5.363 -2.584 1089 HG2 LYS 449 2HG LYS 449 -0.604 6.447 -4.818 1090 HG3 LYS 449 1HG LYS 449 -1.202 4.894 -5.416 1091 HD2 LYS 449 2HD LYS 449 -3.101 6.299 -4.756 1092 HD3 LYS 449 1HD LYS 449 -2.981 4.921 -3.658 1093 HE2 LYS 449 2HE LYS 449 -1.788 6.396 -2.017 1094 HE3 LYS 449 1HE LYS 449 -2.048 7.760 -3.105 1095 HZ1 LYS 449 1HZ LYS 449 -4.155 6.166 -1.742 1096 HZ2 LYS 449 2HZ LYS 449 -4.447 7.391 -2.869 1097 HZ3 LYS 449 3HZ LYS 449 -3.702 7.758 -1.404 1098 H LEU 450 H LEU 450 1.564 2.140 -3.001 1099 HA LEU 450 HA LEU 450 2.621 2.902 -0.442 1100 HB2 LEU 450 2HB LEU 450 2.553 0.635 0.239 1101 HB3 LEU 450 1HB LEU 450 1.128 0.910 -0.725 1102 HG LEU 450 HG LEU 450 2.386 -0.318 -2.635 1103 HD11 LEU 450 1HD1 LEU 450 4.663 -0.344 -1.751 1104 HD12 LEU 450 2HD1 LEU 450 4.073 -1.986 -1.977 1105 HD13 LEU 450 3HD1 LEU 450 4.137 -1.287 -0.356 1106 HD21 LEU 450 1HD2 LEU 450 1.563 -1.884 -0.172 1107 HD22 LEU 450 2HD2 LEU 450 1.683 -2.522 -1.817 1108 HD23 LEU 450 3HD2 LEU 450 0.488 -1.285 -1.439 1109 H ASN 451 H ASN 451 3.949 2.067 -3.487 1110 HA ASN 451 HA ASN 451 6.618 1.430 -2.646 1111 HB2 ASN 451 2HB ASN 451 5.664 0.721 -4.850 1112 HB3 ASN 451 1HB ASN 451 5.596 2.402 -5.365 1113 HD21 ASN 451 1HD2 ASN 451 7.527 3.411 -6.034 1114 HD22 ASN 451 2HD2 ASN 451 8.989 2.531 -6.295 1115 H ASN 452 H ASN 452 4.929 4.304 -3.823 1116 HA ASN 452 HA ASN 452 7.107 6.121 -3.727 1117 HB2 ASN 452 2HB ASN 452 5.219 6.683 -5.104 1118 HB3 ASN 452 1HB ASN 452 4.093 6.511 -3.764 1119 HD21 ASN 452 1HD2 ASN 452 3.769 8.248 -2.396 1120 HD22 ASN 452 2HD2 ASN 452 4.467 9.807 -2.651 1121 H THR 453 H THR 453 4.538 5.303 -1.383 1122 HA THR 453 HA THR 453 5.246 7.231 0.560 1123 HB THR 453 HB THR 453 3.994 5.732 2.203 1124 HG1 THR 453 HG1 THR 453 3.625 3.780 1.613 1125 HG21 THR 453 1HG2 THR 453 2.483 6.375 -0.360 1126 HG22 THR 453 2HG2 THR 453 2.769 7.497 0.972 1127 HG23 THR 453 3HG2 THR 453 1.761 6.069 1.221 1128 H SER 454 H SER 454 5.928 3.663 0.526 1129 HA SER 454 HA SER 454 7.602 3.554 2.725 1130 HB2 SER 454 2HB SER 454 8.473 1.429 1.794 1131 HB3 SER 454 1HB SER 454 6.722 1.534 1.632 1132 HG SER 454 HG SER 454 6.938 1.430 -0.436 1133 H SER 455 H SER 455 8.404 4.458 -0.605 1134 HA SER 455 HA SER 455 11.193 4.570 -0.434 1135 HB2 SER 455 2HB SER 455 10.017 4.847 -2.578 1136 HB3 SER 455 1HB SER 455 9.326 6.377 -2.035 1137 HG SER 455 HG SER 455 12.121 6.026 -2.036 1138 H TYR 456 H TYR 456 8.925 7.388 -0.075 1139 HA TYR 456 HA TYR 456 11.030 9.006 0.994 1140 HB2 TYR 456 2HB TYR 456 9.388 10.800 1.321 1141 HB3 TYR 456 1HB TYR 456 9.318 10.123 -0.292 1142 HD1 TYR 456 HD1 TYR 456 7.544 9.317 2.978 1143 HD2 TYR 456 HD2 TYR 456 7.164 10.306 -1.162 1144 HE1 TYR 456 HE1 TYR 456 5.104 9.274 3.188 1145 HE2 TYR 456 HE2 TYR 456 4.717 10.247 -0.942 1146 HH TYR 456 HH TYR 456 3.012 9.237 0.539 1147 H LEU 457 H LEU 457 8.889 6.791 2.471 1148 HA LEU 457 HA LEU 457 8.844 7.912 5.109 1149 HB2 LEU 457 2HB LEU 457 8.144 5.156 4.030 1150 HB3 LEU 457 1HB LEU 457 8.121 5.494 5.752 1151 HG LEU 457 HG LEU 457 6.341 6.801 3.656 1152 HD11 LEU 457 1HD1 LEU 457 5.709 4.478 4.136 1153 HD12 LEU 457 2HD1 LEU 457 4.513 5.590 4.797 1154 HD13 LEU 457 3HD1 LEU 457 5.683 4.814 5.870 1155 HD21 LEU 457 1HD2 LEU 457 6.906 8.404 5.403 1156 HD22 LEU 457 2HD2 LEU 457 6.445 7.245 6.654 1157 HD23 LEU 457 3HD2 LEU 457 5.225 7.896 5.556 1158 H THR 458 H THR 458 10.787 5.342 3.489 1159 HA THR 458 HA THR 458 12.256 4.680 5.853 1160 HB THR 458 HB THR 458 12.076 3.031 4.033 1161 HG1 THR 458 HG1 THR 458 14.095 3.399 5.504 1162 HG21 THR 458 1HG2 THR 458 13.446 3.187 2.000 1163 HG22 THR 458 2HG2 THR 458 13.950 4.818 2.447 1164 HG23 THR 458 3HG2 THR 458 12.261 4.493 2.055 1165 H GLN 459 H GLN 459 12.807 6.882 3.148 1166 HA GLN 459 HA GLN 459 15.452 7.670 3.875 1167 HB2 GLN 459 2HB GLN 459 13.314 9.118 2.261 1168 HB3 GLN 459 1HB GLN 459 15.019 9.567 2.300 1169 HG2 GLN 459 2HG GLN 459 15.666 7.543 1.177 1170 HG3 GLN 459 1HG GLN 459 14.067 6.838 1.375 1171 HE21 GLN 459 1HE2 GLN 459 12.694 9.363 0.542 1172 HE22 GLN 459 2HE2 GLN 459 12.884 9.416 -1.172 1173 H GLN 460 H GLN 460 12.241 9.136 4.512 1174 HA GLN 460 HA GLN 460 13.113 11.308 6.111 1175 HB2 GLN 460 2HB GLN 460 10.933 11.344 5.031 1176 HB3 GLN 460 1HB GLN 460 10.406 9.912 5.892 1177 HG2 GLN 460 2HG GLN 460 11.091 12.437 7.404 1178 HG3 GLN 460 1HG GLN 460 9.526 12.273 6.618 1179 HE21 GLN 460 1HE2 GLN 460 10.392 12.414 9.491 1180 HE22 GLN 460 2HE2 GLN 460 9.657 11.056 10.249 1181 H PHE 461 H PHE 461 12.247 7.974 6.927 1182 HA PHE 461 HA PHE 461 12.312 8.160 9.730 1183 HB2 PHE 461 2HB PHE 461 11.423 6.174 8.620 1184 HB3 PHE 461 1HB PHE 461 12.989 5.816 7.905 1185 HD1 PHE 461 HD1 PHE 461 11.770 6.576 11.398 1186 HD2 PHE 461 HD2 PHE 461 13.947 3.906 8.869 1187 HE1 PHE 461 HE1 PHE 461 12.309 5.164 13.331 1188 HE2 PHE 461 HE2 PHE 461 14.479 2.501 10.817 1189 HZ PHE 461 HZ PHE 461 13.662 3.136 13.049 1190 H THR 462 H THR 462 14.897 7.353 7.381 1191 HA THR 462 HA THR 462 17.012 7.048 9.207 1192 HB THR 462 HB THR 462 17.208 8.025 6.312 1193 HG1 THR 462 HG1 THR 462 16.489 6.093 5.862 1194 HG21 THR 462 1HG2 THR 462 19.239 6.515 8.013 1195 HG22 THR 462 2HG2 THR 462 19.360 8.214 7.551 1196 HG23 THR 462 3HG2 THR 462 19.436 6.958 6.315 1197 H ALA 463 H ALA 463 15.565 9.923 7.768 1198 HA ALA 463 HA ALA 463 17.555 11.827 8.582 1199 HB1 ALA 463 1HB ALA 463 15.969 12.246 6.734 1200 HB2 ALA 463 2HB ALA 463 15.870 13.507 7.963 1201 HB3 ALA 463 3HB ALA 463 14.621 12.254 7.878 1202 H MET 464 H MET 464 14.315 11.012 9.885 1203 HA MET 464 HA MET 464 14.346 12.881 12.031 1204 HB2 MET 464 2HB MET 464 12.214 12.135 11.109 1205 HB3 MET 464 1HB MET 464 12.568 10.459 11.489 1206 HG2 MET 464 2HG MET 464 12.377 10.933 13.882 1207 HG3 MET 464 1HG MET 464 12.128 12.644 13.547 1208 HE1 MET 464 1HE MET 464 8.501 12.855 12.321 1209 HE2 MET 464 2HE MET 464 10.007 13.072 11.427 1210 HE3 MET 464 3HE MET 464 9.852 13.706 13.068 1211 H ASN 465 H ASN 465 15.269 9.532 11.728 1212 HA ASN 465 HA ASN 465 15.698 9.053 14.544 1213 HB2 ASN 465 2HB ASN 465 15.086 7.267 12.836 1214 HB3 ASN 465 1HB ASN 465 16.700 7.415 12.165 1215 HD21 ASN 465 1HD2 ASN 465 15.446 5.071 13.280 1216 HD22 ASN 465 2HD2 ASN 465 16.425 4.555 14.603 1217 H LYS 466 H LYS 466 18.022 9.100 11.745 1218 HA LYS 466 HA LYS 466 19.986 10.465 13.490 1219 HB2 LYS 466 2HB LYS 466 21.828 9.163 12.494 1220 HB3 LYS 466 1HB LYS 466 20.691 8.127 13.330 1221 HG2 LYS 466 2HG LYS 466 20.685 8.459 10.312 1222 HG3 LYS 466 1HG LYS 466 21.672 7.252 11.125 1223 HD2 LYS 466 2HD LYS 466 18.635 7.397 11.347 1224 HD3 LYS 466 1HD LYS 466 19.496 6.391 10.183 1225 HE2 LYS 466 2HE LYS 466 19.761 6.161 13.200 1226 HE3 LYS 466 1HE LYS 466 18.767 5.121 12.182 1227 HZ1 LYS 466 1HZ LYS 466 20.765 4.389 11.039 1228 HZ2 LYS 466 2HZ LYS 466 20.876 4.095 12.696 1229 HZ3 LYS 466 3HZ LYS 466 21.718 5.386 12.013 1230 H SER 467 H SER 467 18.885 12.402 12.347 1231 HA SER 467 HA SER 467 19.444 13.352 9.873 1232 HB2 SER 467 2HB SER 467 19.838 14.830 12.509 1233 HB3 SER 467 1HB SER 467 19.739 15.625 10.937 1234 HG SER 467 HG SER 467 17.629 14.312 10.861 Start of MODEL 4 1 H1 MET 1 1H MET 1 -2.601 21.791 20.960 2 H2 MET 1 2H MET 1 -1.381 21.796 22.128 3 H3 MET 1 3H MET 1 -2.042 20.334 21.601 4 HA MET 1 HA MET 1 -0.520 22.228 19.928 5 HB2 MET 1 2HB MET 1 1.275 20.433 19.979 6 HB3 MET 1 1HB MET 1 1.015 21.247 21.511 7 HG2 MET 1 2HG MET 1 -0.290 19.313 22.319 8 HG3 MET 1 1HG MET 1 -0.015 18.494 20.779 9 HE1 MET 1 1HE MET 1 1.070 16.314 21.943 10 HE2 MET 1 2HE MET 1 0.616 17.072 23.472 11 HE3 MET 1 3HE MET 1 2.251 16.451 23.247 12 H THR 2 H THR 2 -1.867 22.175 18.148 13 HA THR 2 HA THR 2 -3.472 19.998 17.351 14 HB THR 2 HB THR 2 -3.737 21.379 15.176 15 HG1 THR 2 HG1 THR 2 -2.512 23.088 14.918 16 HG21 THR 2 1HG2 THR 2 -5.041 23.163 16.277 17 HG22 THR 2 2HG2 THR 2 -4.276 22.783 17.820 18 HG23 THR 2 3HG2 THR 2 -5.334 21.602 17.047 19 H SER 3 H SER 3 -0.565 21.325 15.713 20 HA SER 3 HA SER 3 -0.453 19.456 13.616 21 HB2 SER 3 2HB SER 3 1.865 21.044 14.807 22 HB3 SER 3 1HB SER 3 1.795 20.350 13.185 23 HG SER 3 HG SER 3 -0.356 21.900 13.610 24 H THR 4 H THR 4 0.996 19.443 16.828 25 HA THR 4 HA THR 4 2.690 17.191 16.480 26 HB THR 4 HB THR 4 1.641 18.423 19.061 27 HG1 THR 4 HG1 THR 4 3.924 18.999 17.458 28 HG21 THR 4 1HG2 THR 4 4.079 16.664 18.588 29 HG22 THR 4 2HG2 THR 4 2.616 16.184 19.449 30 HG23 THR 4 3HG2 THR 4 3.657 17.445 20.111 31 H VAL 5 H VAL 5 -0.641 17.578 17.828 32 HA VAL 5 HA VAL 5 -0.716 14.900 18.856 33 HB VAL 5 HB VAL 5 -2.110 16.742 19.843 34 HG11 VAL 5 1HG1 VAL 5 -4.280 17.354 18.848 35 HG12 VAL 5 2HG1 VAL 5 -3.887 16.411 17.408 36 HG13 VAL 5 3HG1 VAL 5 -2.931 17.836 17.815 37 HG21 VAL 5 1HG2 VAL 5 -2.583 14.398 20.384 38 HG22 VAL 5 2HG2 VAL 5 -3.659 14.270 18.991 39 HG23 VAL 5 3HG2 VAL 5 -4.082 15.330 20.337 40 H GLU 6 H GLU 6 -1.873 16.423 15.835 41 HA GLU 6 HA GLU 6 -3.187 14.088 14.811 42 HB2 GLU 6 2HB GLU 6 -3.281 15.267 12.673 43 HB3 GLU 6 1HB GLU 6 -3.722 16.357 13.981 44 HG2 GLU 6 2HG GLU 6 -1.407 17.312 13.898 45 HG3 GLU 6 1HG GLU 6 -1.076 16.288 12.503 46 H PHE 7 H PHE 7 0.108 15.389 14.574 47 HA PHE 7 HA PHE 7 1.309 13.540 12.855 48 HB2 PHE 7 2HB PHE 7 2.424 15.552 13.656 49 HB3 PHE 7 1HB PHE 7 2.340 15.003 15.316 50 HD1 PHE 7 HD1 PHE 7 4.136 14.696 12.120 51 HD2 PHE 7 HD2 PHE 7 3.944 13.360 16.179 52 HE1 PHE 7 HE1 PHE 7 6.431 13.827 11.964 53 HE2 PHE 7 HE2 PHE 7 6.232 12.502 15.996 54 HZ PHE 7 HZ PHE 7 7.474 12.745 13.900 55 H ILE 8 H ILE 8 1.047 13.361 16.434 56 HA ILE 8 HA ILE 8 2.231 10.869 16.903 57 HB ILE 8 HB ILE 8 0.046 12.315 18.478 58 HG12 ILE 8 2HG1 ILE 8 3.049 12.210 19.007 59 HG13 ILE 8 1HG1 ILE 8 2.219 13.550 18.227 60 HG21 ILE 8 1HG2 ILE 8 0.012 9.962 19.133 61 HG22 ILE 8 2HG2 ILE 8 0.687 10.931 20.440 62 HG23 ILE 8 3HG2 ILE 8 1.754 9.981 19.406 63 HD11 ILE 8 1HD1 ILE 8 0.911 13.909 20.284 64 HD12 ILE 8 2HD1 ILE 8 2.647 14.075 20.523 65 HD13 ILE 8 3HD1 ILE 8 1.824 12.613 21.067 66 H ASN 9 H ASN 9 -1.221 11.692 16.607 67 HA ASN 9 HA ASN 9 -2.308 9.158 17.106 68 HB2 ASN 9 2HB ASN 9 -3.461 11.614 15.727 69 HB3 ASN 9 1HB ASN 9 -4.406 10.149 15.960 70 HD21 ASN 9 1HD2 ASN 9 -2.085 11.373 18.374 71 HD22 ASN 9 2HD2 ASN 9 -3.290 11.790 19.533 72 H ARG 10 H ARG 10 -1.679 10.845 14.026 73 HA ARG 10 HA ARG 10 -2.935 8.770 12.491 74 HB2 ARG 10 2HB ARG 10 -1.346 11.182 11.562 75 HB3 ARG 10 1HB ARG 10 -2.241 10.093 10.501 76 HG2 ARG 10 2HG ARG 10 -4.349 10.720 11.624 77 HG3 ARG 10 1HG ARG 10 -3.457 11.796 12.704 78 HD2 ARG 10 2HD ARG 10 -3.724 12.075 9.693 79 HD3 ARG 10 1HD ARG 10 -4.498 13.083 10.921 80 HE ARG 10 HE ARG 10 -1.687 13.128 11.262 81 HH11 ARG 10 1HH1 ARG 10 -4.171 14.447 9.137 82 HH12 ARG 10 2HH1 ARG 10 -3.218 15.829 8.702 83 HH21 ARG 10 1HH2 ARG 10 -0.447 14.934 10.640 84 HH22 ARG 10 2HH2 ARG 10 -1.121 16.105 9.551 85 H TRP 11 H TRP 11 0.493 9.575 13.232 86 HA TRP 11 HA TRP 11 1.622 7.627 11.490 87 HB2 TRP 11 2HB TRP 11 2.671 8.906 14.032 88 HB3 TRP 11 1HB TRP 11 3.558 7.585 13.282 89 HD1 TRP 11 HD1 TRP 11 3.575 11.205 13.309 90 HE1 TRP 11 HE1 TRP 11 4.795 12.167 11.274 91 HE3 TRP 11 HE3 TRP 11 3.667 7.040 10.334 92 HZ2 TRP 11 HZ2 TRP 11 5.694 11.320 8.769 93 HZ3 TRP 11 HZ3 TRP 11 4.735 7.209 8.118 94 HH2 TRP 11 HH2 TRP 11 5.725 9.312 7.354 95 H GLN 12 H GLN 12 0.385 7.423 14.831 96 HA GLN 12 HA GLN 12 0.944 4.698 15.315 97 HB2 GLN 12 2HB GLN 12 0.186 6.238 17.110 98 HB3 GLN 12 1HB GLN 12 -1.403 6.344 16.361 99 HG2 GLN 12 2HG GLN 12 -1.708 3.890 16.737 100 HG3 GLN 12 1HG GLN 12 -0.144 3.851 17.556 101 HE21 GLN 12 1HE2 GLN 12 -1.120 3.100 19.462 102 HE22 GLN 12 2HE2 GLN 12 -2.051 4.136 20.479 103 H ARG 13 H ARG 13 -1.827 6.316 13.739 104 HA ARG 13 HA ARG 13 -3.453 4.069 13.288 105 HB2 ARG 13 2HB ARG 13 -3.202 6.517 11.484 106 HB3 ARG 13 1HB ARG 13 -4.520 5.354 11.451 107 HG2 ARG 13 2HG ARG 13 -3.878 7.348 13.632 108 HG3 ARG 13 1HG ARG 13 -5.270 7.355 12.557 109 HD2 ARG 13 2HD ARG 13 -6.063 5.247 13.634 110 HD3 ARG 13 1HD ARG 13 -4.692 5.333 14.750 111 HE ARG 13 HE ARG 13 -6.362 7.698 14.667 112 HH11 ARG 13 1HH1 ARG 13 -5.829 4.637 16.338 113 HH12 ARG 13 2HH1 ARG 13 -6.698 5.142 17.753 114 HH21 ARG 13 1HH2 ARG 13 -7.540 8.296 16.500 115 HH22 ARG 13 2HH2 ARG 13 -7.659 7.199 17.838 116 H ILE 14 H ILE 14 -0.925 5.564 11.256 117 HA ILE 14 HA ILE 14 -1.091 3.983 8.968 118 HB ILE 14 HB ILE 14 1.292 5.451 10.191 119 HG12 ILE 14 2HG1 ILE 14 -0.481 6.229 7.838 120 HG13 ILE 14 1HG1 ILE 14 -0.693 6.824 9.475 121 HG21 ILE 14 1HG2 ILE 14 1.136 4.304 7.384 122 HG22 ILE 14 2HG2 ILE 14 2.184 3.732 8.680 123 HG23 ILE 14 3HG2 ILE 14 2.425 5.342 8.004 124 HD11 ILE 14 1HD1 ILE 14 1.500 7.900 9.369 125 HD12 ILE 14 2HD1 ILE 14 0.416 8.459 8.097 126 HD13 ILE 14 3HD1 ILE 14 1.703 7.317 7.714 127 H ALA 15 H ALA 15 0.812 3.448 11.944 128 HA ALA 15 HA ALA 15 2.199 1.109 11.139 129 HB1 ALA 15 1HB ALA 15 2.649 0.772 13.534 130 HB2 ALA 15 2HB ALA 15 1.424 1.980 13.944 131 HB3 ALA 15 3HB ALA 15 2.883 2.460 13.075 132 H LEU 16 H LEU 16 -0.865 1.555 12.920 133 HA LEU 16 HA LEU 16 -1.391 -1.213 13.377 134 HB2 LEU 16 2HB LEU 16 -3.285 1.170 13.413 135 HB3 LEU 16 1HB LEU 16 -3.682 -0.428 14.027 136 HG LEU 16 HG LEU 16 -1.537 1.418 15.156 137 HD11 LEU 16 1HD1 LEU 16 -3.005 1.663 17.103 138 HD12 LEU 16 2HD1 LEU 16 -4.245 0.689 16.305 139 HD13 LEU 16 3HD1 LEU 16 -3.778 2.253 15.632 140 HD21 LEU 16 1HD2 LEU 16 -2.457 -1.291 16.167 141 HD22 LEU 16 2HD2 LEU 16 -1.337 -0.203 16.993 142 HD23 LEU 16 3HD2 LEU 16 -0.888 -0.915 15.446 143 H LEU 17 H LEU 17 -2.205 1.023 10.790 144 HA LEU 17 HA LEU 17 -4.251 -0.522 9.538 145 HB2 LEU 17 2HB LEU 17 -2.565 1.796 8.496 146 HB3 LEU 17 1HB LEU 17 -3.850 1.051 7.560 147 HG LEU 17 HG LEU 17 -4.247 2.450 10.232 148 HD11 LEU 17 1HD1 LEU 17 -5.314 4.259 8.994 149 HD12 LEU 17 2HD1 LEU 17 -4.923 3.469 7.463 150 HD13 LEU 17 3HD1 LEU 17 -3.630 4.062 8.510 151 HD21 LEU 17 1HD2 LEU 17 -6.642 2.273 9.771 152 HD22 LEU 17 2HD2 LEU 17 -5.889 0.685 9.882 153 HD23 LEU 17 3HD2 LEU 17 -6.308 1.353 8.300 154 H SER 18 H SER 18 -0.813 0.114 8.738 155 HA SER 18 HA SER 18 -0.554 -1.541 6.502 156 HB2 SER 18 2HB SER 18 1.913 -1.514 7.050 157 HB3 SER 18 1HB SER 18 1.170 0.080 7.046 158 HG SER 18 HG SER 18 1.755 0.292 9.029 159 H GLN 19 H GLN 19 0.016 -2.230 9.935 160 HA GLN 19 HA GLN 19 0.855 -4.880 9.844 161 HB2 GLN 19 2HB GLN 19 0.864 -3.463 11.869 162 HB3 GLN 19 1HB GLN 19 -0.893 -3.484 11.918 163 HG2 GLN 19 2HG GLN 19 -0.845 -5.913 12.356 164 HG3 GLN 19 1HG GLN 19 0.917 -5.883 12.299 165 HE21 GLN 19 1HE2 GLN 19 -1.073 -3.371 13.811 166 HE22 GLN 19 2HE2 GLN 19 -0.548 -3.692 15.424 167 H SER 20 H SER 20 -2.470 -3.604 10.120 168 HA SER 20 HA SER 20 -3.835 -6.055 10.295 169 HB2 SER 20 2HB SER 20 -4.857 -3.361 9.293 170 HB3 SER 20 1HB SER 20 -5.879 -4.736 9.727 171 HG SER 20 HG SER 20 -3.999 -3.713 11.562 172 H LEU 21 H LEU 21 -3.445 -3.885 7.459 173 HA LEU 21 HA LEU 21 -4.845 -5.618 5.703 174 HB2 LEU 21 2HB LEU 21 -4.156 -4.038 3.903 175 HB3 LEU 21 1HB LEU 21 -4.949 -3.293 5.268 176 HG LEU 21 HG LEU 21 -2.602 -2.615 6.089 177 HD11 LEU 21 1HD1 LEU 21 -0.860 -2.356 4.399 178 HD12 LEU 21 2HD1 LEU 21 -1.835 -3.283 3.253 179 HD13 LEU 21 3HD1 LEU 21 -1.233 -4.046 4.726 180 HD21 LEU 21 1HD2 LEU 21 -4.164 -0.984 5.203 181 HD22 LEU 21 2HD2 LEU 21 -3.661 -1.349 3.551 182 HD23 LEU 21 3HD2 LEU 21 -2.524 -0.609 4.683 183 H LEU 22 H LEU 22 -1.489 -5.449 6.616 184 HA LEU 22 HA LEU 22 -0.340 -6.966 4.518 185 HB2 LEU 22 2HB LEU 22 1.086 -5.835 6.164 186 HB3 LEU 22 1HB LEU 22 0.396 -6.792 7.468 187 HG LEU 22 HG LEU 22 1.400 -8.863 6.416 188 HD11 LEU 22 1HD1 LEU 22 3.136 -8.639 4.715 189 HD12 LEU 22 2HD1 LEU 22 2.815 -6.909 4.583 190 HD13 LEU 22 3HD1 LEU 22 1.578 -8.078 4.113 191 HD21 LEU 22 1HD2 LEU 22 2.504 -7.777 8.289 192 HD22 LEU 22 2HD2 LEU 22 3.367 -6.698 7.191 193 HD23 LEU 22 3HD2 LEU 22 3.694 -8.433 7.166 194 H GLU 23 H GLU 23 -1.708 -7.852 7.672 195 HA GLU 23 HA GLU 23 -1.547 -10.664 7.383 196 HB2 GLU 23 2HB GLU 23 -3.399 -8.972 9.113 197 HB3 GLU 23 1HB GLU 23 -3.158 -10.712 9.297 198 HG2 GLU 23 2HG GLU 23 -0.795 -10.378 9.836 199 HG3 GLU 23 1HG GLU 23 -0.943 -8.648 9.527 200 H LEU 24 H LEU 24 -4.013 -8.316 6.440 201 HA LEU 24 HA LEU 24 -6.036 -10.194 5.680 202 HB2 LEU 24 2HB LEU 24 -5.646 -7.284 4.858 203 HB3 LEU 24 1HB LEU 24 -7.117 -8.215 4.606 204 HG LEU 24 HG LEU 24 -5.945 -7.594 7.345 205 HD11 LEU 24 1HD1 LEU 24 -7.764 -5.962 7.627 206 HD12 LEU 24 2HD1 LEU 24 -8.222 -6.188 5.936 207 HD13 LEU 24 3HD1 LEU 24 -6.645 -5.514 6.342 208 HD21 LEU 24 1HD2 LEU 24 -7.269 -9.639 7.337 209 HD22 LEU 24 2HD2 LEU 24 -8.628 -8.789 6.597 210 HD23 LEU 24 3HD2 LEU 24 -8.099 -8.364 8.227 211 H ALA 25 H ALA 25 -3.299 -8.740 4.022 212 HA ALA 25 HA ALA 25 -3.999 -9.436 1.338 213 HB1 ALA 25 1HB ALA 25 -1.258 -8.811 2.500 214 HB2 ALA 25 2HB ALA 25 -2.396 -7.625 1.855 215 HB3 ALA 25 3HB ALA 25 -1.682 -8.832 0.783 216 H GLN 26 H GLN 26 -1.865 -10.928 3.796 217 HA GLN 26 HA GLN 26 -1.095 -13.163 2.158 218 HB2 GLN 26 2HB GLN 26 -0.004 -14.056 4.160 219 HB3 GLN 26 1HB GLN 26 0.340 -12.337 4.000 220 HG2 GLN 26 2HG GLN 26 -1.415 -11.859 5.696 221 HG3 GLN 26 1HG GLN 26 -1.659 -13.592 5.896 222 HE21 GLN 26 1HE2 GLN 26 0.513 -10.906 6.478 223 HE22 GLN 26 2HE2 GLN 26 1.524 -11.728 7.619 224 H ARG 27 H ARG 27 -3.707 -12.537 4.418 225 HA ARG 27 HA ARG 27 -4.785 -15.182 4.573 226 HB2 ARG 27 2HB ARG 27 -5.940 -12.406 5.027 227 HB3 ARG 27 1HB ARG 27 -6.961 -13.831 5.129 228 HG2 ARG 27 2HG ARG 27 -4.459 -13.573 6.820 229 HG3 ARG 27 1HG ARG 27 -5.995 -12.864 7.319 230 HD2 ARG 27 2HD ARG 27 -5.585 -15.802 6.691 231 HD3 ARG 27 1HD ARG 27 -5.575 -15.105 8.313 232 HE ARG 27 HE ARG 27 -7.942 -14.908 6.532 233 HH11 ARG 27 1HH1 ARG 27 -6.594 -15.724 9.687 234 HH12 ARG 27 2HH1 ARG 27 -8.147 -16.024 10.402 235 HH21 ARG 27 1HH2 ARG 27 -9.969 -15.330 7.501 236 HH22 ARG 27 2HH2 ARG 27 -10.033 -15.802 9.171 237 H GLY 28 H GLY 28 -4.895 -12.635 2.181 238 HA2 GLY 28 2HA GLY 28 -5.395 -12.917 -0.088 239 HA3 GLY 28 1HA GLY 28 -6.301 -14.377 0.276 240 H GLU 29 H GLU 29 -7.251 -12.074 2.471 241 HA GLU 29 HA GLU 29 -9.724 -11.463 1.128 242 HB2 GLU 29 2HB GLU 29 -8.564 -10.723 3.830 243 HB3 GLU 29 1HB GLU 29 -9.993 -9.896 3.228 244 HG2 GLU 29 2HG GLU 29 -10.750 -11.619 4.675 245 HG3 GLU 29 1HG GLU 29 -11.129 -12.121 3.033 246 H TRP 30 H TRP 30 -8.899 -10.466 -0.743 247 HA TRP 30 HA TRP 30 -7.324 -8.118 -0.801 248 HB2 TRP 30 2HB TRP 30 -9.334 -8.990 -2.926 249 HB3 TRP 30 1HB TRP 30 -7.934 -7.942 -3.155 250 HD1 TRP 30 HD1 TRP 30 -8.845 -11.249 -4.078 251 HE1 TRP 30 HE1 TRP 30 -6.843 -12.848 -4.239 252 HE3 TRP 30 HE3 TRP 30 -5.371 -8.528 -1.456 253 HZ2 TRP 30 HZ2 TRP 30 -4.171 -12.959 -3.383 254 HZ3 TRP 30 HZ3 TRP 30 -3.116 -9.464 -1.172 255 HH2 TRP 30 HH2 TRP 30 -2.528 -11.636 -2.116 256 H ASP 31 H ASP 31 -10.728 -8.697 -0.421 257 HA ASP 31 HA ASP 31 -11.852 -6.174 -0.835 258 HB2 ASP 31 2HB ASP 31 -12.655 -8.315 1.198 259 HB3 ASP 31 1HB ASP 31 -13.684 -6.982 0.674 260 H LEU 32 H LEU 32 -10.554 -7.638 2.124 261 HA LEU 32 HA LEU 32 -11.063 -5.343 3.774 262 HB2 LEU 32 2HB LEU 32 -9.447 -7.860 4.335 263 HB3 LEU 32 1HB LEU 32 -9.908 -6.663 5.537 264 HG LEU 32 HG LEU 32 -11.790 -8.498 4.003 265 HD11 LEU 32 1HD1 LEU 32 -12.285 -9.476 6.198 266 HD12 LEU 32 2HD1 LEU 32 -11.099 -8.406 6.954 267 HD13 LEU 32 3HD1 LEU 32 -10.576 -9.627 5.791 268 HD21 LEU 32 1HD2 LEU 32 -13.623 -7.535 5.330 269 HD22 LEU 32 2HD2 LEU 32 -12.873 -6.324 4.296 270 HD23 LEU 32 3HD2 LEU 32 -12.512 -6.348 6.023 271 H LEU 33 H LEU 33 -8.236 -6.684 2.121 272 HA LEU 33 HA LEU 33 -6.202 -4.981 3.013 273 HB2 LEU 33 2HB LEU 33 -5.683 -6.909 1.629 274 HB3 LEU 33 1HB LEU 33 -6.681 -6.302 0.319 275 HG LEU 33 HG LEU 33 -5.027 -4.402 0.010 276 HD11 LEU 33 1HD1 LEU 33 -4.009 -4.352 2.211 277 HD12 LEU 33 2HD1 LEU 33 -2.780 -4.595 0.973 278 HD13 LEU 33 3HD1 LEU 33 -3.315 -5.956 1.964 279 HD21 LEU 33 1HD2 LEU 33 -3.351 -5.730 -1.169 280 HD22 LEU 33 2HD2 LEU 33 -4.972 -6.362 -1.446 281 HD23 LEU 33 3HD2 LEU 33 -3.885 -7.188 -0.325 282 H LEU 34 H LEU 34 -8.389 -4.597 0.202 283 HA LEU 34 HA LEU 34 -7.465 -2.008 -0.565 284 HB2 LEU 34 2HB LEU 34 -9.952 -3.577 -1.318 285 HB3 LEU 34 1HB LEU 34 -9.541 -2.029 -2.044 286 HG LEU 34 HG LEU 34 -7.803 -4.525 -2.204 287 HD11 LEU 34 1HD1 LEU 34 -9.871 -4.859 -3.440 288 HD12 LEU 34 2HD1 LEU 34 -8.513 -4.682 -4.549 289 HD13 LEU 34 3HD1 LEU 34 -9.635 -3.339 -4.309 290 HD21 LEU 34 1HD2 LEU 34 -6.470 -2.483 -2.329 291 HD22 LEU 34 2HD2 LEU 34 -7.518 -1.839 -3.597 292 HD23 LEU 34 3HD2 LEU 34 -6.531 -3.268 -3.905 293 H GLN 35 H GLN 35 -9.967 -3.128 1.611 294 HA GLN 35 HA GLN 35 -11.397 -0.725 1.997 295 HB2 GLN 35 2HB GLN 35 -12.183 -2.900 2.892 296 HB3 GLN 35 1HB GLN 35 -10.807 -2.962 3.986 297 HG2 GLN 35 2HG GLN 35 -12.772 -2.296 5.226 298 HG3 GLN 35 1HG GLN 35 -11.657 -0.935 5.149 299 HE21 GLN 35 1HE2 GLN 35 -13.849 -1.954 2.534 300 HE22 GLN 35 2HE2 GLN 35 -14.835 -0.539 2.592 301 H GLN 36 H GLN 36 -8.495 -2.072 3.528 302 HA GLN 36 HA GLN 36 -8.080 0.222 5.246 303 HB2 GLN 36 2HB GLN 36 -6.366 -2.245 4.763 304 HB3 GLN 36 1HB GLN 36 -6.063 -1.031 6.001 305 HG2 GLN 36 2HG GLN 36 -8.475 -2.858 5.847 306 HG3 GLN 36 1HG GLN 36 -7.111 -3.022 6.952 307 HE21 GLN 36 1HE2 GLN 36 -9.968 -2.680 7.517 308 HE22 GLN 36 2HE2 GLN 36 -10.090 -1.276 8.517 309 H GLU 37 H GLU 37 -7.213 -0.618 2.027 310 HA GLU 37 HA GLU 37 -4.777 0.680 1.587 311 HB2 GLU 37 2HB GLU 37 -5.753 -0.622 -0.198 312 HB3 GLU 37 1HB GLU 37 -7.223 0.341 -0.191 313 HG2 GLU 37 2HG GLU 37 -5.804 2.309 -0.996 314 HG3 GLU 37 1HG GLU 37 -4.489 1.154 -1.221 315 H VAL 38 H VAL 38 -8.090 2.006 1.278 316 HA VAL 38 HA VAL 38 -7.403 4.580 0.444 317 HB VAL 38 HB VAL 38 -9.702 5.302 1.148 318 HG11 VAL 38 1HG1 VAL 38 -9.614 2.665 -0.362 319 HG12 VAL 38 2HG1 VAL 38 -9.369 4.273 -1.047 320 HG13 VAL 38 3HG1 VAL 38 -10.946 3.828 -0.396 321 HG21 VAL 38 1HG2 VAL 38 -11.302 3.676 2.083 322 HG22 VAL 38 2HG2 VAL 38 -9.963 3.950 3.198 323 HG23 VAL 38 3HG2 VAL 38 -10.014 2.474 2.231 324 H SER 39 H SER 39 -7.984 3.350 3.733 325 HA SER 39 HA SER 39 -7.682 5.831 5.082 326 HB2 SER 39 2HB SER 39 -7.447 4.331 7.121 327 HB3 SER 39 1HB SER 39 -8.899 4.047 6.160 328 HG SER 39 HG SER 39 -7.297 2.227 6.894 329 H TYR 40 H TYR 40 -5.475 3.099 4.457 330 HA TYR 40 HA TYR 40 -3.303 3.894 6.032 331 HB2 TYR 40 2HB TYR 40 -3.558 1.616 5.172 332 HB3 TYR 40 1HB TYR 40 -3.386 2.181 3.515 333 HD1 TYR 40 HD1 TYR 40 -1.413 2.751 6.667 334 HD2 TYR 40 HD2 TYR 40 -1.371 1.384 2.614 335 HE1 TYR 40 HE1 TYR 40 0.986 2.329 6.832 336 HE2 TYR 40 HE2 TYR 40 1.045 0.960 2.785 337 HH TYR 40 HH TYR 40 2.963 1.829 4.215 338 H LEU 41 H LEU 41 -3.659 4.203 2.482 339 HA LEU 41 HA LEU 41 -1.255 5.644 2.101 340 HB2 LEU 41 2HB LEU 41 -3.678 5.369 0.280 341 HB3 LEU 41 1HB LEU 41 -2.137 6.056 -0.216 342 HG LEU 41 HG LEU 41 -2.578 3.171 0.672 343 HD11 LEU 41 1HD1 LEU 41 -2.142 2.561 -1.662 344 HD12 LEU 41 2HD1 LEU 41 -2.029 4.267 -2.102 345 HD13 LEU 41 3HD1 LEU 41 -3.559 3.602 -1.524 346 HD21 LEU 41 1HD2 LEU 41 -0.248 2.774 -0.033 347 HD22 LEU 41 2HD2 LEU 41 -0.338 3.917 1.304 348 HD23 LEU 41 3HD2 LEU 41 -0.037 4.501 -0.336 349 H GLN 42 H GLN 42 -4.667 6.695 2.502 350 HA GLN 42 HA GLN 42 -4.325 9.459 2.071 351 HB2 GLN 42 2HB GLN 42 -6.533 8.355 2.320 352 HB3 GLN 42 1HB GLN 42 -6.210 8.086 4.028 353 HG2 GLN 42 2HG GLN 42 -6.169 10.538 4.390 354 HG3 GLN 42 1HG GLN 42 -6.519 10.788 2.681 355 HE21 GLN 42 1HE2 GLN 42 -8.440 8.562 2.519 356 HE22 GLN 42 2HE2 GLN 42 -9.851 9.110 3.349 357 H SER 43 H SER 43 -3.893 7.496 5.009 358 HA SER 43 HA SER 43 -3.434 9.591 6.841 359 HB2 SER 43 2HB SER 43 -2.630 6.661 6.932 360 HB3 SER 43 1HB SER 43 -2.410 7.777 8.281 361 HG SER 43 HG SER 43 -4.900 7.222 7.039 362 H ILE 44 H ILE 44 -1.200 7.693 4.815 363 HA ILE 44 HA ILE 44 1.235 8.751 5.825 364 HB ILE 44 HB ILE 44 0.687 7.664 3.022 365 HG12 ILE 44 2HG1 ILE 44 1.784 6.218 5.482 366 HG13 ILE 44 1HG1 ILE 44 0.159 6.029 4.839 367 HG21 ILE 44 1HG2 ILE 44 3.141 7.260 2.910 368 HG22 ILE 44 2HG2 ILE 44 3.341 8.069 4.462 369 HG23 ILE 44 3HG2 ILE 44 2.767 8.978 3.062 370 HD11 ILE 44 1HD1 ILE 44 2.713 5.256 3.426 371 HD12 ILE 44 2HD1 ILE 44 1.076 5.077 2.782 372 HD13 ILE 44 3HD1 ILE 44 1.566 4.170 4.211 373 H GLU 45 H GLU 45 -0.872 9.765 3.149 374 HA GLU 45 HA GLU 45 0.871 11.831 2.199 375 HB2 GLU 45 2HB GLU 45 -2.065 11.292 1.622 376 HB3 GLU 45 1HB GLU 45 -1.053 12.433 0.732 377 HG2 GLU 45 2HG GLU 45 0.399 10.624 -0.036 378 HG3 GLU 45 1HG GLU 45 -0.489 9.457 0.940 379 H THR 46 H THR 46 -1.846 11.762 4.472 380 HA THR 46 HA THR 46 -2.167 14.625 4.537 381 HB THR 46 HB THR 46 -4.063 13.056 5.067 382 HG1 THR 46 HG1 THR 46 -4.615 14.967 5.811 383 HG21 THR 46 1HG2 THR 46 -2.664 12.690 7.739 384 HG22 THR 46 2HG2 THR 46 -2.875 11.439 6.516 385 HG23 THR 46 3HG2 THR 46 -4.286 12.119 7.325 386 H VAL 47 H VAL 47 -0.353 12.237 6.528 387 HA VAL 47 HA VAL 47 0.577 14.237 8.396 388 HB VAL 47 HB VAL 47 2.267 12.618 9.170 389 HG11 VAL 47 1HG1 VAL 47 -0.007 12.474 10.064 390 HG12 VAL 47 2HG1 VAL 47 0.740 10.877 10.003 391 HG13 VAL 47 3HG1 VAL 47 -0.459 11.339 8.790 392 HG21 VAL 47 1HG2 VAL 47 1.318 10.792 6.934 393 HG22 VAL 47 2HG2 VAL 47 2.448 10.349 8.218 394 HG23 VAL 47 3HG2 VAL 47 2.893 11.580 7.033 395 H MET 48 H MET 48 1.656 13.058 5.248 396 HA MET 48 HA MET 48 4.144 14.528 5.281 397 HB2 MET 48 2HB MET 48 2.699 12.964 3.123 398 HB3 MET 48 1HB MET 48 4.135 13.922 2.760 399 HG2 MET 48 2HG MET 48 3.994 11.658 4.763 400 HG3 MET 48 1HG MET 48 4.729 11.596 3.156 401 HE1 MET 48 1HE MET 48 7.764 11.572 5.760 402 HE2 MET 48 2HE MET 48 6.954 10.644 4.501 403 HE3 MET 48 3HE MET 48 6.160 10.902 6.057 404 H GLU 49 H GLU 49 0.886 15.414 4.661 405 HA GLU 49 HA GLU 49 1.383 17.768 3.118 406 HB2 GLU 49 2HB GLU 49 -0.889 16.742 3.464 407 HB3 GLU 49 1HB GLU 49 -0.843 17.271 5.142 408 HG2 GLU 49 2HG GLU 49 -0.726 19.634 4.373 409 HG3 GLU 49 1HG GLU 49 -0.827 19.081 2.701 410 H LYS 50 H LYS 50 1.530 16.977 6.554 411 HA LYS 50 HA LYS 50 2.526 19.617 7.345 412 HB2 LYS 50 2HB LYS 50 2.139 17.019 8.905 413 HB3 LYS 50 1HB LYS 50 2.775 18.496 9.618 414 HG2 LYS 50 2HG LYS 50 -0.007 18.105 8.474 415 HG3 LYS 50 1HG LYS 50 0.425 18.219 10.183 416 HD2 LYS 50 2HD LYS 50 1.313 20.562 9.684 417 HD3 LYS 50 1HD LYS 50 0.587 20.414 8.084 418 HE2 LYS 50 2HE LYS 50 -0.874 20.366 10.746 419 HE3 LYS 50 1HE LYS 50 -0.886 21.668 9.559 420 HZ1 LYS 50 1HZ LYS 50 -2.034 18.955 9.235 421 HZ2 LYS 50 2HZ LYS 50 -1.930 20.095 7.992 422 HZ3 LYS 50 3HZ LYS 50 -2.879 20.414 9.353 423 H GLN 51 H GLN 51 3.687 16.582 6.270 424 HA GLN 51 HA GLN 51 5.581 15.428 6.144 425 HB2 GLN 51 2HB GLN 51 6.438 17.399 4.922 426 HB3 GLN 51 1HB GLN 51 6.963 18.126 6.437 427 HG2 GLN 51 2HG GLN 51 8.578 16.302 6.773 428 HG3 GLN 51 1HG GLN 51 8.038 15.531 5.283 429 HE21 GLN 51 1HE2 GLN 51 7.836 18.066 3.771 430 HE22 GLN 51 2HE2 GLN 51 9.465 18.542 3.463 431 H THR 52 H THR 52 6.859 17.848 8.393 432 HA THR 52 HA THR 52 6.322 16.226 10.741 433 HB THR 52 HB THR 52 9.202 17.062 10.129 434 HG1 THR 52 HG1 THR 52 7.822 14.690 9.643 435 HG21 THR 52 1HG2 THR 52 8.651 16.993 12.557 436 HG22 THR 52 2HG2 THR 52 9.784 15.716 12.110 437 HG23 THR 52 3HG2 THR 52 8.083 15.327 12.370 438 HA PRO 53 HA PRO 53 5.862 20.644 12.067 439 HB2 PRO 53 2HB PRO 53 5.002 19.871 14.638 440 HB3 PRO 53 1HB PRO 53 3.925 20.158 13.260 441 HG2 PRO 53 2HG PRO 53 5.002 17.559 14.296 442 HG3 PRO 53 1HG PRO 53 3.367 17.950 13.712 443 HD2 PRO 53 2HD PRO 53 5.084 16.625 12.141 444 HD3 PRO 53 1HD PRO 53 4.005 17.860 11.452 445 HA PRO 54 HA PRO 54 9.968 20.658 13.998 446 HB2 PRO 54 2HB PRO 54 9.977 23.243 14.996 447 HB3 PRO 54 1HB PRO 54 10.226 22.857 13.280 448 HG2 PRO 54 2HG PRO 54 7.697 23.714 14.662 449 HG3 PRO 54 1HG PRO 54 8.388 24.294 13.129 450 HD2 PRO 54 2HD PRO 54 6.382 22.503 13.142 451 HD3 PRO 54 1HD PRO 54 7.688 22.396 11.937 452 H GLY 55 H GLY 55 7.024 21.258 15.796 453 HA2 GLY 55 2HA GLY 55 8.273 21.306 18.432 454 HA3 GLY 55 1HA GLY 55 6.556 21.382 18.065 455 H ILE 56 H ILE 56 9.184 19.017 17.510 456 HA ILE 56 HA ILE 56 7.559 16.880 18.779 457 HB ILE 56 HB ILE 56 9.491 16.593 16.424 458 HG12 ILE 56 2HG1 ILE 56 7.362 17.555 15.681 459 HG13 ILE 56 1HG1 ILE 56 7.460 15.890 15.121 460 HG21 ILE 56 1HG2 ILE 56 9.643 14.621 17.876 461 HG22 ILE 56 2HG2 ILE 56 8.830 14.198 16.368 462 HG23 ILE 56 3HG2 ILE 56 7.888 14.428 17.843 463 HD11 ILE 56 1HD1 ILE 56 5.988 15.229 17.004 464 HD12 ILE 56 2HD1 ILE 56 5.247 16.360 15.874 465 HD13 ILE 56 3HD1 ILE 56 5.834 16.938 17.432 466 H THR 57 H THR 57 8.456 16.351 20.650 467 HA THR 57 HA THR 57 11.236 16.791 21.328 468 HB THR 57 HB THR 57 9.473 17.085 23.047 469 HG1 THR 57 HG1 THR 57 11.265 16.598 24.123 470 HG21 THR 57 1HG2 THR 57 7.888 15.332 22.303 471 HG22 THR 57 2HG2 THR 57 8.282 15.161 24.014 472 HG23 THR 57 3HG2 THR 57 9.022 14.084 22.829 473 H ARG 58 H ARG 58 12.368 14.857 22.497 474 HA ARG 58 HA ARG 58 12.939 12.899 20.523 475 HB2 ARG 58 2HB ARG 58 14.444 11.906 22.401 476 HB3 ARG 58 1HB ARG 58 14.810 13.509 21.790 477 HG2 ARG 58 2HG ARG 58 15.118 13.552 24.163 478 HG3 ARG 58 1HG ARG 58 13.674 14.492 23.803 479 HD2 ARG 58 2HD ARG 58 12.251 12.646 24.567 480 HD3 ARG 58 1HD ARG 58 13.667 11.626 24.817 481 HE ARG 58 HE ARG 58 14.207 12.828 26.735 482 HH11 ARG 58 1HH1 ARG 58 11.303 14.192 25.272 483 HH12 ARG 58 2HH1 ARG 58 10.876 15.077 26.697 484 HH21 ARG 58 1HH2 ARG 58 13.587 13.986 28.578 485 HH22 ARG 58 2HH2 ARG 58 12.156 14.962 28.550 486 H SER 59 H SER 59 10.706 12.900 23.191 487 HA SER 59 HA SER 59 10.442 10.075 23.533 488 HB2 SER 59 2HB SER 59 9.729 11.668 25.287 489 HB3 SER 59 1HB SER 59 8.489 12.319 24.215 490 HG SER 59 HG SER 59 7.240 10.713 24.756 491 H ILE 60 H ILE 60 8.327 12.489 21.968 492 HA ILE 60 HA ILE 60 6.573 10.766 20.630 493 HB ILE 60 HB ILE 60 7.413 13.623 19.945 494 HG12 ILE 60 2HG1 ILE 60 4.977 12.608 21.486 495 HG13 ILE 60 1HG1 ILE 60 6.422 13.281 22.229 496 HG21 ILE 60 1HG2 ILE 60 4.991 12.087 18.932 497 HG22 ILE 60 2HG2 ILE 60 6.383 12.581 17.968 498 HG23 ILE 60 3HG2 ILE 60 5.309 13.801 18.650 499 HD11 ILE 60 1HD1 ILE 60 5.976 15.419 21.119 500 HD12 ILE 60 2HD1 ILE 60 4.669 14.912 22.185 501 HD13 ILE 60 3HD1 ILE 60 4.494 14.743 20.437 502 H GLN 61 H GLN 61 9.692 12.120 19.677 503 HA GLN 61 HA GLN 61 9.884 11.352 16.998 504 HB2 GLN 61 2HB GLN 61 11.523 12.832 18.045 505 HB3 GLN 61 1HB GLN 61 12.016 11.566 19.162 506 HG2 GLN 61 2HG GLN 61 12.833 10.254 17.137 507 HG3 GLN 61 1HG GLN 61 12.549 11.711 16.184 508 HE21 GLN 61 1HE2 GLN 61 13.898 13.524 16.525 509 HE22 GLN 61 2HE2 GLN 61 15.385 13.407 17.394 510 H ASP 62 H ASP 62 10.754 9.568 19.976 511 HA ASP 62 HA ASP 62 11.764 7.225 18.678 512 HB2 ASP 62 2HB ASP 62 12.423 7.934 20.998 513 HB3 ASP 62 1HB ASP 62 10.805 7.540 21.568 514 H MET 63 H MET 63 8.644 8.177 19.968 515 HA MET 63 HA MET 63 7.210 5.759 19.899 516 HB2 MET 63 2HB MET 63 6.320 8.645 19.550 517 HB3 MET 63 1HB MET 63 5.188 7.305 19.655 518 HG2 MET 63 2HG MET 63 5.805 6.849 21.909 519 HG3 MET 63 1HG MET 63 7.191 7.935 21.815 520 HE1 MET 63 1HE MET 63 3.315 8.101 20.944 521 HE2 MET 63 2HE MET 63 4.103 9.315 19.929 522 HE3 MET 63 3HE MET 63 3.028 9.817 21.230 523 H VAL 64 H VAL 64 7.212 8.421 17.523 524 HA VAL 64 HA VAL 64 5.760 6.933 15.569 525 HB VAL 64 HB VAL 64 6.056 8.827 14.063 526 HG11 VAL 64 1HG1 VAL 64 4.942 10.568 15.407 527 HG12 VAL 64 2HG1 VAL 64 5.427 9.752 16.898 528 HG13 VAL 64 3HG1 VAL 64 4.303 8.967 15.785 529 HG21 VAL 64 1HG2 VAL 64 7.386 10.810 14.662 530 HG22 VAL 64 2HG2 VAL 64 8.409 9.379 14.543 531 HG23 VAL 64 3HG2 VAL 64 7.956 10.006 16.129 532 H ALA 65 H ALA 65 9.173 7.360 16.243 533 HA ALA 65 HA ALA 65 10.278 6.375 13.856 534 HB1 ALA 65 1HB ALA 65 12.227 5.682 15.208 535 HB2 ALA 65 2HB ALA 65 11.292 5.921 16.689 536 HB3 ALA 65 3HB ALA 65 11.681 7.299 15.660 537 H GLY 66 H GLY 66 9.068 4.663 16.753 538 HA2 GLY 66 2HA GLY 66 9.427 2.006 15.863 539 HA3 GLY 66 1HA GLY 66 8.257 2.541 17.059 540 H TYR 67 H TYR 67 6.694 4.271 15.503 541 HA TYR 67 HA TYR 67 4.857 2.443 14.369 542 HB2 TYR 67 2HB TYR 67 4.938 5.482 14.178 543 HB3 TYR 67 1HB TYR 67 3.576 4.491 13.660 544 HD1 TYR 67 HD1 TYR 67 4.000 6.728 16.002 545 HD2 TYR 67 HD2 TYR 67 3.475 2.482 15.915 546 HE1 TYR 67 HE1 TYR 67 3.058 6.800 18.268 547 HE2 TYR 67 HE2 TYR 67 2.531 2.560 18.183 548 HH TYR 67 HH TYR 67 1.561 5.448 19.698 549 H ILE 68 H ILE 68 7.171 4.686 12.865 550 HA ILE 68 HA ILE 68 6.327 4.191 10.174 551 HB ILE 68 HB ILE 68 9.009 5.368 11.064 552 HG12 ILE 68 2HG1 ILE 68 6.509 6.887 10.199 553 HG13 ILE 68 1HG1 ILE 68 6.999 6.686 11.870 554 HG21 ILE 68 1HG2 ILE 68 9.046 4.561 8.734 555 HG22 ILE 68 2HG2 ILE 68 9.091 6.323 8.763 556 HG23 ILE 68 3HG2 ILE 68 7.588 5.486 8.366 557 HD11 ILE 68 1HD1 ILE 68 8.582 8.133 9.747 558 HD12 ILE 68 2HD1 ILE 68 9.045 7.940 11.441 559 HD13 ILE 68 3HD1 ILE 68 7.610 8.873 11.019 560 H LYS 69 H LYS 69 8.821 2.848 12.337 561 HA LYS 69 HA LYS 69 10.225 1.331 10.398 562 HB2 LYS 69 2HB LYS 69 11.023 1.849 12.757 563 HB3 LYS 69 1HB LYS 69 9.921 0.606 13.341 564 HG2 LYS 69 2HG LYS 69 11.139 -1.073 11.916 565 HG3 LYS 69 1HG LYS 69 12.274 0.199 11.459 566 HD2 LYS 69 2HD LYS 69 13.270 -1.137 13.216 567 HD3 LYS 69 1HD LYS 69 12.897 0.462 13.865 568 HE2 LYS 69 2HE LYS 69 12.309 -1.294 15.475 569 HE3 LYS 69 1HE LYS 69 10.855 -0.458 14.933 570 HZ1 LYS 69 1HZ LYS 69 10.503 -2.832 15.005 571 HZ2 LYS 69 2HZ LYS 69 11.816 -3.111 13.984 572 HZ3 LYS 69 3HZ LYS 69 10.446 -2.320 13.395 573 H GLN 70 H GLN 70 7.424 0.579 12.466 574 HA GLN 70 HA GLN 70 6.987 -2.108 11.723 575 HB2 GLN 70 2HB GLN 70 4.985 0.026 12.568 576 HB3 GLN 70 1HB GLN 70 4.581 -1.678 12.376 577 HG2 GLN 70 2HG GLN 70 6.180 -2.245 14.170 578 HG3 GLN 70 1HG GLN 70 6.543 -0.533 14.378 579 HE21 GLN 70 1HE2 GLN 70 3.322 -1.913 13.752 580 HE22 GLN 70 2HE2 GLN 70 2.654 -1.473 15.282 581 H THR 71 H THR 71 5.722 0.951 10.395 582 HA THR 71 HA THR 71 3.986 -0.294 8.546 583 HB THR 71 HB THR 71 3.848 2.131 9.517 584 HG1 THR 71 HG1 THR 71 3.270 1.509 6.802 585 HG21 THR 71 1HG2 THR 71 6.000 3.002 8.622 586 HG22 THR 71 2HG2 THR 71 4.618 3.920 8.029 587 HG23 THR 71 3HG2 THR 71 5.412 2.745 6.979 588 H LEU 72 H LEU 72 7.337 0.813 8.322 589 HA LEU 72 HA LEU 72 7.694 0.582 5.518 590 HB2 LEU 72 2HB LEU 72 9.671 0.392 7.822 591 HB3 LEU 72 1HB LEU 72 10.176 0.298 6.142 592 HG LEU 72 HG LEU 72 8.785 2.706 7.381 593 HD11 LEU 72 1HD1 LEU 72 11.007 2.386 8.357 594 HD12 LEU 72 2HD1 LEU 72 10.962 3.814 7.328 595 HD13 LEU 72 3HD1 LEU 72 11.726 2.332 6.744 596 HD21 LEU 72 1HD2 LEU 72 9.461 3.877 5.315 597 HD22 LEU 72 2HD2 LEU 72 8.354 2.548 4.985 598 HD23 LEU 72 3HD2 LEU 72 10.079 2.360 4.653 599 H ASP 73 H ASP 73 8.155 -1.650 8.214 600 HA ASP 73 HA ASP 73 9.275 -3.830 6.836 601 HB2 ASP 73 2HB ASP 73 9.332 -3.595 9.297 602 HB3 ASP 73 1HB ASP 73 7.580 -3.740 9.375 603 H ASN 74 H ASN 74 5.905 -3.132 7.739 604 HA ASN 74 HA ASN 74 4.733 -5.472 6.659 605 HB2 ASN 74 2HB ASN 74 3.437 -2.779 7.246 606 HB3 ASN 74 1HB ASN 74 2.579 -4.299 7.012 607 HD21 ASN 74 1HD2 ASN 74 4.531 -5.879 8.619 608 HD22 ASN 74 2HD2 ASN 74 4.216 -5.438 10.255 609 H GLU 75 H GLU 75 5.099 -2.178 5.418 610 HA GLU 75 HA GLU 75 3.601 -2.505 3.020 611 HB2 GLU 75 2HB GLU 75 3.869 -0.354 4.115 612 HB3 GLU 75 1HB GLU 75 5.611 -0.419 3.907 613 HG2 GLU 75 2HG GLU 75 5.370 -0.146 1.499 614 HG3 GLU 75 1HG GLU 75 3.611 -0.202 1.642 615 H GLN 76 H GLN 76 6.976 -3.027 3.835 616 HA GLN 76 HA GLN 76 7.979 -3.256 1.166 617 HB2 GLN 76 2HB GLN 76 9.437 -2.880 3.169 618 HB3 GLN 76 1HB GLN 76 9.071 -4.509 3.725 619 HG2 GLN 76 2HG GLN 76 10.141 -5.438 1.712 620 HG3 GLN 76 1HG GLN 76 10.485 -3.810 1.135 621 HE21 GLN 76 1HE2 GLN 76 10.831 -4.870 4.505 622 HE22 GLN 76 2HE2 GLN 76 12.550 -4.754 4.536 623 H LEU 77 H LEU 77 6.741 -5.560 3.588 624 HA LEU 77 HA LEU 77 6.964 -7.910 2.010 625 HB2 LEU 77 2HB LEU 77 5.089 -7.275 4.308 626 HB3 LEU 77 1HB LEU 77 5.266 -8.873 3.601 627 HG LEU 77 HG LEU 77 7.414 -7.329 5.108 628 HD11 LEU 77 1HD1 LEU 77 5.678 -8.231 6.568 629 HD12 LEU 77 2HD1 LEU 77 7.197 -9.092 6.796 630 HD13 LEU 77 3HD1 LEU 77 5.893 -9.840 5.869 631 HD21 LEU 77 1HD2 LEU 77 7.590 -10.083 3.838 632 HD22 LEU 77 2HD2 LEU 77 8.808 -9.347 4.885 633 HD23 LEU 77 3HD2 LEU 77 8.448 -8.629 3.318 634 H LEU 78 H LEU 78 4.457 -5.407 2.220 635 HA LEU 78 HA LEU 78 2.449 -6.619 0.641 636 HB2 LEU 78 2HB LEU 78 3.203 -3.678 0.848 637 HB3 LEU 78 1HB LEU 78 1.755 -4.265 0.047 638 HG LEU 78 HG LEU 78 2.347 -4.571 3.009 639 HD11 LEU 78 1HD1 LEU 78 0.404 -2.685 1.643 640 HD12 LEU 78 2HD1 LEU 78 1.983 -2.223 2.285 641 HD13 LEU 78 3HD1 LEU 78 0.737 -2.820 3.373 642 HD21 LEU 78 1HD2 LEU 78 0.938 -6.398 2.165 643 HD22 LEU 78 2HD2 LEU 78 -0.171 -5.236 1.434 644 HD23 LEU 78 3HD2 LEU 78 0.002 -5.312 3.190 645 H LYS 79 H LYS 79 5.179 -4.501 -0.233 646 HA LYS 79 HA LYS 79 4.777 -4.239 -2.952 647 HB2 LYS 79 2HB LYS 79 6.460 -2.930 -1.779 648 HB3 LYS 79 1HB LYS 79 7.374 -4.380 -1.377 649 HG2 LYS 79 2HG LYS 79 7.866 -4.732 -3.778 650 HG3 LYS 79 1HG LYS 79 6.979 -3.255 -4.173 651 HD2 LYS 79 2HD LYS 79 8.605 -1.888 -2.998 652 HD3 LYS 79 1HD LYS 79 9.405 -3.322 -2.338 653 HE2 LYS 79 2HE LYS 79 10.689 -2.373 -4.210 654 HE3 LYS 79 1HE LYS 79 10.101 -3.990 -4.603 655 HZ1 LYS 79 1HZ LYS 79 8.848 -1.446 -5.485 656 HZ2 LYS 79 2HZ LYS 79 8.323 -2.998 -5.885 657 HZ3 LYS 79 3HZ LYS 79 9.815 -2.444 -6.444 658 H GLY 80 H GLY 80 6.823 -6.716 -1.309 659 HA2 GLY 80 2HA GLY 80 7.484 -8.238 -3.594 660 HA3 GLY 80 1HA GLY 80 7.531 -8.809 -1.938 661 H LEU 81 H LEU 81 5.052 -9.004 -1.082 662 HA LEU 81 HA LEU 81 4.129 -11.428 -2.115 663 HB2 LEU 81 2HB LEU 81 3.825 -10.473 0.211 664 HB3 LEU 81 1HB LEU 81 2.553 -9.447 -0.411 665 HG LEU 81 HG LEU 81 2.377 -12.501 -0.473 666 HD11 LEU 81 1HD1 LEU 81 1.326 -10.642 1.686 667 HD12 LEU 81 2HD1 LEU 81 2.664 -11.781 1.850 668 HD13 LEU 81 3HD1 LEU 81 1.034 -12.383 1.572 669 HD21 LEU 81 1HD2 LEU 81 0.781 -11.370 -1.986 670 HD22 LEU 81 2HD2 LEU 81 0.173 -10.403 -0.643 671 HD23 LEU 81 3HD2 LEU 81 -0.058 -12.154 -0.649 672 H LEU 82 H LEU 82 2.613 -8.197 -2.361 673 HA LEU 82 HA LEU 82 0.434 -9.029 -3.954 674 HB2 LEU 82 2HB LEU 82 1.555 -6.215 -3.661 675 HB3 LEU 82 1HB LEU 82 -0.022 -6.621 -4.321 676 HG LEU 82 HG LEU 82 0.878 -6.977 -1.435 677 HD11 LEU 82 1HD1 LEU 82 -0.822 -5.280 -0.913 678 HD12 LEU 82 2HD1 LEU 82 -1.167 -5.085 -2.635 679 HD13 LEU 82 3HD1 LEU 82 0.422 -4.654 -1.996 680 HD21 LEU 82 1HD2 LEU 82 -1.414 -7.709 -0.942 681 HD22 LEU 82 2HD2 LEU 82 -0.593 -8.824 -2.030 682 HD23 LEU 82 3HD2 LEU 82 -1.798 -7.700 -2.665 683 H GLN 83 H GLN 83 3.692 -7.779 -4.817 684 HA GLN 83 HA GLN 83 3.226 -7.287 -7.563 685 HB2 GLN 83 2HB GLN 83 5.246 -6.545 -6.327 686 HB3 GLN 83 1HB GLN 83 5.801 -8.209 -6.229 687 HG2 GLN 83 2HG GLN 83 6.078 -8.287 -8.658 688 HG3 GLN 83 1HG GLN 83 5.424 -6.655 -8.804 689 HE21 GLN 83 1HE2 GLN 83 7.658 -7.648 -6.235 690 HE22 GLN 83 2HE2 GLN 83 8.990 -6.702 -6.790 691 H GLN 84 H GLN 84 4.199 -10.238 -5.862 692 HA GLN 84 HA GLN 84 4.508 -11.977 -8.070 693 HB2 GLN 84 2HB GLN 84 3.574 -12.586 -5.233 694 HB3 GLN 84 1HB GLN 84 4.131 -13.792 -6.392 695 HG2 GLN 84 2HG GLN 84 6.368 -12.910 -6.359 696 HG3 GLN 84 1HG GLN 84 5.859 -11.494 -5.441 697 HE21 GLN 84 1HE2 GLN 84 4.800 -14.798 -4.713 698 HE22 GLN 84 2HE2 GLN 84 5.636 -14.901 -3.209 699 H ARG 85 H ARG 85 1.691 -11.301 -5.991 700 HA ARG 85 HA ARG 85 -0.189 -13.030 -7.154 701 HB2 ARG 85 2HB ARG 85 -0.660 -10.369 -5.741 702 HB3 ARG 85 1HB ARG 85 -1.893 -11.595 -6.020 703 HG2 ARG 85 2HG ARG 85 0.596 -12.336 -4.494 704 HG3 ARG 85 1HG ARG 85 -0.661 -11.408 -3.683 705 HD2 ARG 85 2HD ARG 85 -0.872 -13.806 -3.251 706 HD3 ARG 85 1HD ARG 85 -2.280 -13.175 -4.102 707 HE ARG 85 HE ARG 85 -0.315 -14.361 -5.850 708 HH11 ARG 85 1HH1 ARG 85 -3.066 -15.090 -3.746 709 HH12 ARG 85 2HH1 ARG 85 -3.452 -16.564 -4.580 710 HH21 ARG 85 1HH2 ARG 85 -0.847 -16.296 -6.900 711 HH22 ARG 85 2HH2 ARG 85 -2.196 -17.241 -6.361 712 H LEU 86 H LEU 86 0.557 -9.649 -7.862 713 HA LEU 86 HA LEU 86 -1.503 -9.167 -9.753 714 HB2 LEU 86 2HB LEU 86 1.087 -7.683 -9.156 715 HB3 LEU 86 1HB LEU 86 -0.114 -7.098 -10.300 716 HG LEU 86 HG LEU 86 -0.574 -7.506 -7.321 717 HD11 LEU 86 1HD1 LEU 86 0.894 -5.611 -7.768 718 HD12 LEU 86 2HD1 LEU 86 -0.677 -5.069 -7.184 719 HD13 LEU 86 3HD1 LEU 86 -0.282 -4.939 -8.902 720 HD21 LEU 86 1HD2 LEU 86 -2.741 -6.399 -7.703 721 HD22 LEU 86 2HD2 LEU 86 -2.625 -7.929 -8.559 722 HD23 LEU 86 3HD2 LEU 86 -2.445 -6.408 -9.441 723 H ASP 87 H ASP 87 1.868 -10.191 -10.009 724 HA ASP 87 HA ASP 87 2.173 -9.947 -12.818 725 HB2 ASP 87 2HB ASP 87 4.060 -10.243 -11.159 726 HB3 ASP 87 1HB ASP 87 3.582 -11.926 -10.960 727 H GLU 88 H GLU 88 1.005 -12.522 -10.711 728 HA GLU 88 HA GLU 88 0.528 -14.542 -12.645 729 HB2 GLU 88 2HB GLU 88 -0.848 -14.025 -9.975 730 HB3 GLU 88 1HB GLU 88 -0.987 -15.516 -10.908 731 HG2 GLU 88 2HG GLU 88 1.395 -15.959 -10.631 732 HG3 GLU 88 1HG GLU 88 1.611 -14.421 -9.803 733 H LEU 89 H LEU 89 -1.613 -12.023 -11.242 734 HA LEU 89 HA LEU 89 -3.972 -12.641 -12.648 735 HB2 LEU 89 2HB LEU 89 -3.036 -9.944 -11.564 736 HB3 LEU 89 1HB LEU 89 -4.661 -10.255 -12.156 737 HG LEU 89 HG LEU 89 -3.380 -11.588 -9.737 738 HD11 LEU 89 1HD1 LEU 89 -3.908 -9.233 -9.331 739 HD12 LEU 89 2HD1 LEU 89 -4.969 -10.288 -8.404 740 HD13 LEU 89 3HD1 LEU 89 -5.572 -9.494 -9.862 741 HD21 LEU 89 1HD2 LEU 89 -6.203 -11.893 -10.828 742 HD22 LEU 89 2HD2 LEU 89 -5.603 -12.562 -9.308 743 HD23 LEU 89 3HD2 LEU 89 -4.936 -13.125 -10.836 744 H SER 90 H SER 90 -1.257 -10.547 -13.490 745 HA SER 90 HA SER 90 -2.264 -9.334 -15.825 746 HB2 SER 90 2HB SER 90 -0.293 -8.470 -14.605 747 HB3 SER 90 1HB SER 90 0.625 -9.920 -15.014 748 HG SER 90 HG SER 90 1.220 -8.674 -16.625 749 H SER 91 H SER 91 -0.373 -12.298 -15.295 750 HA SER 91 HA SER 91 -0.031 -13.120 -17.970 751 HB2 SER 91 2HB SER 91 1.229 -14.082 -16.047 752 HB3 SER 91 1HB SER 91 -0.247 -14.852 -15.465 753 HG SER 91 HG SER 91 0.676 -15.311 -18.087 754 H LEU 92 H LEU 92 -2.555 -13.814 -15.564 755 HA LEU 92 HA LEU 92 -4.126 -15.613 -17.024 756 HB2 LEU 92 2HB LEU 92 -4.896 -13.693 -14.792 757 HB3 LEU 92 1HB LEU 92 -5.972 -14.936 -15.414 758 HG LEU 92 HG LEU 92 -3.297 -15.471 -14.061 759 HD11 LEU 92 1HD1 LEU 92 -4.603 -16.307 -12.165 760 HD12 LEU 92 2HD1 LEU 92 -6.102 -15.824 -12.967 761 HD13 LEU 92 3HD1 LEU 92 -4.931 -14.602 -12.468 762 HD21 LEU 92 1HD2 LEU 92 -3.983 -17.833 -14.060 763 HD22 LEU 92 2HD2 LEU 92 -3.832 -17.204 -15.697 764 HD23 LEU 92 3HD2 LEU 92 -5.433 -17.422 -14.985 765 H ILE 93 H ILE 93 -4.249 -12.053 -16.846 766 HA ILE 93 HA ILE 93 -6.514 -11.604 -18.481 767 HB ILE 93 HB ILE 93 -4.052 -9.803 -18.170 768 HG12 ILE 93 2HG1 ILE 93 -6.705 -9.676 -16.665 769 HG13 ILE 93 1HG1 ILE 93 -5.217 -10.329 -16.004 770 HG21 ILE 93 1HG2 ILE 93 -5.368 -9.168 -20.153 771 HG22 ILE 93 2HG2 ILE 93 -5.534 -7.944 -18.896 772 HG23 ILE 93 3HG2 ILE 93 -6.839 -9.097 -19.177 773 HD11 ILE 93 1HD1 ILE 93 -5.668 -7.462 -16.828 774 HD12 ILE 93 2HD1 ILE 93 -4.170 -8.124 -16.165 775 HD13 ILE 93 3HD1 ILE 93 -5.633 -8.094 -15.181 776 H GLY 94 H GLY 94 -3.033 -11.883 -19.240 777 HA2 GLY 94 2HA GLY 94 -3.150 -11.376 -22.007 778 HA3 GLY 94 1HA GLY 94 -1.884 -12.265 -21.183 779 H GLN 95 H GLN 95 -3.900 -14.283 -20.219 780 HA GLN 95 HA GLN 95 -3.720 -16.086 -22.489 781 HB2 GLN 95 2HB GLN 95 -4.836 -16.538 -19.687 782 HB3 GLN 95 1HB GLN 95 -4.577 -17.797 -20.889 783 HG2 GLN 95 2HG GLN 95 -2.398 -16.094 -19.651 784 HG3 GLN 95 1HG GLN 95 -2.812 -17.728 -19.150 785 HE21 GLN 95 1HE2 GLN 95 -2.184 -19.461 -20.459 786 HE22 GLN 95 2HE2 GLN 95 -1.048 -19.291 -21.749 787 H VAL 96 H VAL 96 -6.377 -14.726 -20.479 788 HA VAL 96 HA VAL 96 -8.399 -16.059 -22.098 789 HB VAL 96 HB VAL 96 -10.079 -15.104 -20.541 790 HG11 VAL 96 1HG1 VAL 96 -9.067 -17.273 -20.028 791 HG12 VAL 96 2HG1 VAL 96 -9.433 -16.397 -18.542 792 HG13 VAL 96 3HG1 VAL 96 -7.768 -16.484 -19.127 793 HG21 VAL 96 1HG2 VAL 96 -7.733 -13.833 -19.073 794 HG22 VAL 96 2HG2 VAL 96 -9.401 -13.881 -18.498 795 HG23 VAL 96 3HG2 VAL 96 -8.993 -12.973 -19.955 796 H LEU 97 H LEU 97 -7.396 -12.676 -21.501 797 HA LEU 97 HA LEU 97 -9.401 -11.529 -23.240 798 HB2 LEU 97 2HB LEU 97 -8.034 -10.452 -21.183 799 HB3 LEU 97 1HB LEU 97 -6.904 -10.013 -22.444 800 HG LEU 97 HG LEU 97 -9.770 -9.064 -22.091 801 HD11 LEU 97 1HD1 LEU 97 -8.758 -6.828 -21.992 802 HD12 LEU 97 2HD1 LEU 97 -7.151 -7.543 -22.153 803 HD13 LEU 97 3HD1 LEU 97 -8.140 -7.897 -20.733 804 HD21 LEU 97 1HD2 LEU 97 -8.029 -8.493 -24.510 805 HD22 LEU 97 2HD2 LEU 97 -9.570 -7.713 -24.138 806 HD23 LEU 97 3HD2 LEU 97 -9.518 -9.438 -24.491 807 H PHE 98 H PHE 98 -9.229 -11.878 -25.409 808 HA PHE 98 HA PHE 98 -6.727 -12.003 -26.848 809 HB2 PHE 98 2HB PHE 98 -9.520 -11.453 -27.955 810 HB3 PHE 98 1HB PHE 98 -8.118 -11.980 -28.874 811 HD1 PHE 98 HD1 PHE 98 -7.120 -14.311 -28.208 812 HD2 PHE 98 HD2 PHE 98 -11.086 -13.055 -27.211 813 HE1 PHE 98 HE1 PHE 98 -7.803 -16.659 -27.947 814 HE2 PHE 98 HE2 PHE 98 -11.758 -15.407 -26.945 815 HZ PHE 98 HZ PHE 98 -10.118 -17.207 -27.315 816 H GLN 99 H GLN 99 -5.681 -10.098 -26.101 817 HA GLN 99 HA GLN 99 -6.954 -7.538 -26.050 818 HB2 GLN 99 2HB GLN 99 -4.651 -6.690 -25.403 819 HB3 GLN 99 1HB GLN 99 -5.322 -7.937 -24.366 820 HG2 GLN 99 2HG GLN 99 -3.058 -8.520 -24.582 821 HG3 GLN 99 1HG GLN 99 -3.894 -9.611 -25.679 822 HE21 GLN 99 1HE2 GLN 99 -3.152 -6.218 -26.380 823 HE22 GLN 99 2HE2 GLN 99 -2.012 -6.555 -27.633 824 H GLY 100 H GLY 100 -5.567 -9.268 -28.596 825 HA2 GLY 100 2HA GLY 100 -6.029 -7.174 -30.470 826 HA3 GLY 100 1HA GLY 100 -4.298 -7.404 -30.212 827 HA PRO 101 HA PRO 101 -4.479 -10.997 -32.928 828 HB2 PRO 101 2HB PRO 101 -2.500 -12.534 -31.367 829 HB3 PRO 101 1HB PRO 101 -2.270 -11.664 -32.894 830 HG2 PRO 101 2HG PRO 101 -1.121 -10.857 -30.569 831 HG3 PRO 101 1HG PRO 101 -1.583 -9.725 -31.863 832 HD2 PRO 101 2HD PRO 101 -3.087 -10.399 -29.329 833 HD3 PRO 101 1HD PRO 101 -2.761 -8.805 -30.055 834 H SER 102 H SER 102 -4.258 -13.613 -32.684 835 HA SER 102 HA SER 102 -5.232 -15.579 -32.224 836 HB2 SER 102 2HB SER 102 -5.721 -14.416 -29.446 837 HB3 SER 102 1HB SER 102 -5.817 -16.125 -29.877 838 HG SER 102 HG SER 102 -3.786 -15.421 -28.938 839 H ALA 103 H ALA 103 -6.792 -13.322 -33.310 840 HA ALA 103 HA ALA 103 -9.351 -14.674 -33.378 841 HB1 ALA 103 1HB ALA 103 -10.716 -12.692 -32.808 842 HB2 ALA 103 2HB ALA 103 -9.249 -11.786 -32.420 843 HB3 ALA 103 3HB ALA 103 -9.706 -13.182 -31.446 844 H GLY 104 H GLY 104 -10.347 -14.398 -35.318 845 HA2 GLY 104 2HA GLY 104 -8.971 -13.203 -37.510 846 HA3 GLY 104 1HA GLY 104 -10.580 -13.905 -37.548 847 H LEU 105 H LEU 105 -11.869 -12.279 -35.671 848 HA LEU 105 HA LEU 105 -12.094 -9.710 -37.026 849 HB2 LEU 105 2HB LEU 105 -13.901 -9.256 -35.290 850 HB3 LEU 105 1HB LEU 105 -14.198 -10.579 -36.393 851 HG LEU 105 HG LEU 105 -13.539 -12.187 -34.537 852 HD11 LEU 105 1HD1 LEU 105 -13.615 -11.429 -32.200 853 HD12 LEU 105 2HD1 LEU 105 -13.669 -9.749 -32.743 854 HD13 LEU 105 3HD1 LEU 105 -12.247 -10.740 -33.073 855 HD21 LEU 105 1HD2 LEU 105 -15.939 -10.414 -34.001 856 HD22 LEU 105 2HD2 LEU 105 -15.701 -12.052 -33.386 857 HD23 LEU 105 3HD2 LEU 105 -15.877 -11.781 -35.118 858 H VAL 106 H VAL 106 -12.356 -7.761 -35.353 859 HA VAL 106 HA VAL 106 -9.809 -7.494 -33.939 860 HB VAL 106 HB VAL 106 -11.983 -5.393 -34.382 861 HG11 VAL 106 1HG1 VAL 106 -10.499 -4.853 -32.485 862 HG12 VAL 106 2HG1 VAL 106 -10.221 -3.743 -33.828 863 HG13 VAL 106 3HG1 VAL 106 -9.080 -5.054 -33.519 864 HG21 VAL 106 1HG2 VAL 106 -9.452 -5.863 -36.011 865 HG22 VAL 106 2HG2 VAL 106 -10.597 -4.538 -36.241 866 HG23 VAL 106 3HG2 VAL 106 -11.102 -6.202 -36.544 867 HA PRO 107 HA PRO 107 -12.355 -8.397 -30.214 868 HB2 PRO 107 2HB PRO 107 -10.594 -9.904 -28.899 869 HB3 PRO 107 1HB PRO 107 -11.237 -10.491 -30.452 870 HG2 PRO 107 2HG PRO 107 -8.575 -9.232 -29.872 871 HG3 PRO 107 1HG PRO 107 -8.959 -10.604 -30.935 872 HD2 PRO 107 2HD PRO 107 -8.652 -7.911 -31.758 873 HD3 PRO 107 1HD PRO 107 -9.365 -9.223 -32.719 874 H ARG 108 H ARG 108 -10.360 -6.000 -30.710 875 HA ARG 108 HA ARG 108 -9.218 -5.414 -28.139 876 HB2 ARG 108 2HB ARG 108 -8.170 -4.646 -30.244 877 HB3 ARG 108 1HB ARG 108 -9.600 -3.693 -30.626 878 HG2 ARG 108 2HG ARG 108 -9.162 -2.236 -28.683 879 HG3 ARG 108 1HG ARG 108 -7.745 -3.201 -28.265 880 HD2 ARG 108 2HD ARG 108 -8.091 -1.683 -30.872 881 HD3 ARG 108 1HD ARG 108 -7.196 -1.081 -29.474 882 HE ARG 108 HE ARG 108 -5.870 -3.305 -29.829 883 HH11 ARG 108 1HH1 ARG 108 -7.040 -1.202 -32.405 884 HH12 ARG 108 2HH1 ARG 108 -5.768 -1.645 -33.497 885 HH21 ARG 108 1HH2 ARG 108 -4.217 -3.866 -31.271 886 HH22 ARG 108 2HH2 ARG 108 -4.169 -3.154 -32.857 887 H GLY 109 H GLY 109 -11.231 -5.757 -26.965 888 HA2 GLY 109 2HA GLY 109 -13.181 -3.514 -27.011 889 HA3 GLY 109 1HA GLY 109 -13.474 -5.127 -26.367 890 H SER 110 H SER 110 -10.973 -2.633 -25.982 891 HA SER 110 HA SER 110 -10.432 -3.192 -23.259 892 HB2 SER 110 2HB SER 110 -9.173 -0.956 -23.395 893 HB3 SER 110 1HB SER 110 -8.689 -2.183 -24.564 894 HG SER 110 HG SER 110 -10.648 -0.251 -25.218 895 H GLY 111 H GLY 111 -12.089 -3.056 -21.886 896 HA2 GLY 111 2HA GLY 111 -13.067 -1.224 -20.389 897 HA3 GLY 111 1HA GLY 111 -13.890 -0.700 -21.856 898 H GLY 112 H GLY 112 -14.394 -3.291 -22.939 899 HA2 GLY 112 2HA GLY 112 -15.897 -4.902 -21.104 900 HA3 GLY 112 1HA GLY 112 -16.942 -3.814 -22.017 901 H ILE 113 H ILE 113 -15.820 -6.847 -21.963 902 HA ILE 113 HA ILE 113 -15.731 -7.276 -24.884 903 HB ILE 113 HB ILE 113 -15.175 -9.439 -22.785 904 HG12 ILE 113 2HG1 ILE 113 -12.625 -8.863 -23.298 905 HG13 ILE 113 1HG1 ILE 113 -13.244 -7.272 -23.704 906 HG21 ILE 113 1HG2 ILE 113 -13.814 -10.472 -24.578 907 HG22 ILE 113 2HG2 ILE 113 -14.189 -9.117 -25.644 908 HG23 ILE 113 3HG2 ILE 113 -15.475 -10.199 -25.113 909 HD11 ILE 113 1HD1 ILE 113 -13.474 -8.656 -21.034 910 HD12 ILE 113 2HD1 ILE 113 -14.124 -7.059 -21.412 911 HD13 ILE 113 3HD1 ILE 113 -12.382 -7.334 -21.446 912 H GLU 114 H GLU 114 -16.934 -9.697 -25.254 913 HA GLU 114 HA GLU 114 -19.556 -9.658 -23.872 914 HB2 GLU 114 2HB GLU 114 -20.530 -10.602 -26.006 915 HB3 GLU 114 1HB GLU 114 -19.974 -8.945 -26.138 916 HG2 GLU 114 2HG GLU 114 -18.341 -11.313 -27.109 917 HG3 GLU 114 1HG GLU 114 -19.481 -10.444 -28.131 918 H GLY 115 H GLY 115 -20.236 -11.555 -23.024 919 HA2 GLY 115 2HA GLY 115 -20.406 -13.946 -22.915 920 HA3 GLY 115 1HA GLY 115 -18.783 -14.081 -23.583 921 H SER 428 H SER 428 -18.715 -15.581 -21.639 922 HA SER 428 HA SER 428 -18.559 -14.558 -18.985 923 HB2 SER 428 2HB SER 428 -19.018 -16.963 -19.559 924 HB3 SER 428 1HB SER 428 -17.337 -17.134 -20.071 925 HG SER 428 HG SER 428 -17.827 -16.089 -17.525 926 H ILE 429 H ILE 429 -16.296 -14.718 -21.621 927 HA ILE 429 HA ILE 429 -13.842 -14.396 -20.295 928 HB ILE 429 HB ILE 429 -14.030 -14.977 -22.694 929 HG12 ILE 429 2HG1 ILE 429 -11.913 -13.725 -21.697 930 HG13 ILE 429 1HG1 ILE 429 -12.023 -14.011 -23.425 931 HG21 ILE 429 1HG2 ILE 429 -15.900 -13.581 -23.343 932 HG22 ILE 429 2HG2 ILE 429 -14.532 -13.276 -24.417 933 HG23 ILE 429 3HG2 ILE 429 -14.929 -12.121 -23.142 934 HD11 ILE 429 1HD1 ILE 429 -12.635 -11.400 -22.038 935 HD12 ILE 429 2HD1 ILE 429 -12.665 -11.685 -23.781 936 HD13 ILE 429 3HD1 ILE 429 -11.148 -11.804 -22.891 937 H ASP 430 H ASP 430 -16.392 -12.074 -21.108 938 HA ASP 430 HA ASP 430 -15.075 -9.658 -20.483 939 HB2 ASP 430 2HB ASP 430 -17.205 -9.645 -21.664 940 HB3 ASP 430 1HB ASP 430 -18.019 -10.435 -20.318 941 H GLU 431 H GLU 431 -16.863 -11.969 -18.474 942 HA GLU 431 HA GLU 431 -17.040 -10.413 -16.110 943 HB2 GLU 431 2HB GLU 431 -17.082 -13.454 -16.324 944 HB3 GLU 431 1HB GLU 431 -17.739 -12.479 -15.011 945 HG2 GLU 431 2HG GLU 431 -19.430 -11.547 -16.545 946 HG3 GLU 431 1HG GLU 431 -18.773 -12.524 -17.862 947 H THR 432 H THR 432 -14.861 -13.088 -17.049 948 HA THR 432 HA THR 432 -13.387 -13.127 -14.633 949 HB THR 432 HB THR 432 -13.488 -15.102 -16.095 950 HG1 THR 432 HG1 THR 432 -11.383 -15.710 -15.765 951 HG21 THR 432 1HG2 THR 432 -12.134 -15.290 -18.140 952 HG22 THR 432 2HG2 THR 432 -11.681 -13.589 -18.011 953 HG23 THR 432 3HG2 THR 432 -13.361 -14.036 -18.319 954 H VAL 433 H VAL 433 -12.788 -11.500 -17.759 955 HA VAL 433 HA VAL 433 -10.262 -10.364 -17.089 956 HB VAL 433 HB VAL 433 -12.333 -9.560 -19.181 957 HG11 VAL 433 1HG1 VAL 433 -10.600 -8.102 -20.212 958 HG12 VAL 433 2HG1 VAL 433 -9.545 -8.381 -18.824 959 HG13 VAL 433 3HG1 VAL 433 -11.072 -7.523 -18.612 960 HG21 VAL 433 1HG2 VAL 433 -10.725 -10.547 -20.771 961 HG22 VAL 433 2HG2 VAL 433 -11.210 -11.724 -19.549 962 HG23 VAL 433 3HG2 VAL 433 -9.634 -10.936 -19.437 963 H ALA 434 H ALA 434 -13.605 -9.230 -16.707 964 HA ALA 434 HA ALA 434 -13.114 -6.589 -15.900 965 HB1 ALA 434 1HB ALA 434 -15.400 -8.404 -15.055 966 HB2 ALA 434 2HB ALA 434 -15.363 -7.393 -16.500 967 HB3 ALA 434 3HB ALA 434 -15.372 -6.643 -14.902 968 H ARG 435 H ARG 435 -13.179 -9.630 -14.082 969 HA ARG 435 HA ARG 435 -12.861 -8.463 -11.484 970 HB2 ARG 435 2HB ARG 435 -12.461 -11.323 -12.462 971 HB3 ARG 435 1HB ARG 435 -12.405 -10.841 -10.768 972 HG2 ARG 435 2HG ARG 435 -14.813 -10.598 -12.603 973 HG3 ARG 435 1HG ARG 435 -14.589 -11.811 -11.340 974 HD2 ARG 435 2HD ARG 435 -14.651 -10.089 -9.612 975 HD3 ARG 435 1HD ARG 435 -14.705 -8.814 -10.836 976 HE ARG 435 HE ARG 435 -16.872 -10.749 -10.919 977 HH11 ARG 435 1HH1 ARG 435 -15.826 -7.593 -9.720 978 HH12 ARG 435 2HH1 ARG 435 -17.449 -7.025 -9.478 979 HH21 ARG 435 1HH2 ARG 435 -18.978 -9.981 -10.593 980 HH22 ARG 435 2HH2 ARG 435 -19.229 -8.378 -9.975 981 H TYR 436 H TYR 436 -10.611 -10.089 -13.766 982 HA TYR 436 HA TYR 436 -8.303 -9.952 -12.148 983 HB2 TYR 436 2HB TYR 436 -8.512 -10.025 -15.184 984 HB3 TYR 436 1HB TYR 436 -6.998 -10.190 -14.299 985 HD1 TYR 436 HD1 TYR 436 -8.241 -11.957 -12.014 986 HD2 TYR 436 HD2 TYR 436 -8.340 -12.160 -16.287 987 HE1 TYR 436 HE1 TYR 436 -8.527 -14.391 -11.894 988 HE2 TYR 436 HE2 TYR 436 -8.633 -14.587 -16.161 989 HH TYR 436 HH TYR 436 -9.407 -16.204 -13.280 990 H LYS 437 H LYS 437 -9.570 -7.731 -14.583 991 HA LYS 437 HA LYS 437 -7.435 -5.884 -14.606 992 HB2 LYS 437 2HB LYS 437 -9.128 -6.051 -16.427 993 HB3 LYS 437 1HB LYS 437 -10.363 -5.430 -15.336 994 HG2 LYS 437 2HG LYS 437 -9.052 -3.295 -15.145 995 HG3 LYS 437 1HG LYS 437 -7.912 -3.935 -16.335 996 HD2 LYS 437 2HD LYS 437 -9.810 -4.121 -17.975 997 HD3 LYS 437 1HD LYS 437 -10.868 -3.365 -16.781 998 HE2 LYS 437 2HE LYS 437 -8.430 -2.104 -18.076 999 HE3 LYS 437 1HE LYS 437 -10.116 -1.704 -18.403 1000 HZ1 LYS 437 1HZ LYS 437 -8.631 -1.244 -15.875 1001 HZ2 LYS 437 2HZ LYS 437 -10.294 -1.018 -16.041 1002 HZ3 LYS 437 3HZ LYS 437 -9.221 -0.078 -16.942 1003 H ALA 438 H ALA 438 -10.523 -6.002 -12.831 1004 HA ALA 438 HA ALA 438 -10.349 -3.556 -11.464 1005 HB1 ALA 438 1HB ALA 438 -11.988 -4.497 -9.892 1006 HB2 ALA 438 2HB ALA 438 -11.676 -6.121 -10.515 1007 HB3 ALA 438 3HB ALA 438 -12.413 -4.903 -11.557 1008 H GLN 439 H GLN 439 -9.467 -6.838 -10.280 1009 HA GLN 439 HA GLN 439 -8.448 -5.993 -7.782 1010 HB2 GLN 439 2HB GLN 439 -7.801 -8.564 -9.286 1011 HB3 GLN 439 1HB GLN 439 -7.514 -8.275 -7.575 1012 HG2 GLN 439 2HG GLN 439 -10.179 -8.570 -8.975 1013 HG3 GLN 439 1HG GLN 439 -9.467 -9.644 -7.779 1014 HE21 GLN 439 1HE2 GLN 439 -11.227 -6.701 -8.300 1015 HE22 GLN 439 2HE2 GLN 439 -11.607 -6.395 -6.647 1016 H PHE 440 H PHE 440 -6.879 -6.574 -10.919 1017 HA PHE 440 HA PHE 440 -4.203 -6.420 -10.078 1018 HB2 PHE 440 2HB PHE 440 -4.809 -7.291 -12.319 1019 HB3 PHE 440 1HB PHE 440 -5.338 -5.687 -12.810 1020 HD1 PHE 440 HD1 PHE 440 -2.364 -7.710 -11.867 1021 HD2 PHE 440 HD2 PHE 440 -3.728 -4.041 -13.587 1022 HE1 PHE 440 HE1 PHE 440 -0.081 -7.202 -12.630 1023 HE2 PHE 440 HE2 PHE 440 -1.446 -3.549 -14.347 1024 HZ PHE 440 HZ PHE 440 0.380 -5.127 -13.866 1025 H THR 441 H THR 441 -6.204 -3.907 -11.691 1026 HA THR 441 HA THR 441 -4.368 -1.818 -11.563 1027 HB THR 441 HB THR 441 -7.413 -1.612 -11.630 1028 HG1 THR 441 HG1 THR 441 -6.585 -2.841 -13.357 1029 HG21 THR 441 1HG2 THR 441 -5.315 0.415 -12.524 1030 HG22 THR 441 2HG2 THR 441 -6.366 0.587 -11.116 1031 HG23 THR 441 3HG2 THR 441 -7.057 0.576 -12.740 1032 H GLN 442 H GLN 442 -6.807 -2.810 -9.197 1033 HA GLN 442 HA GLN 442 -6.685 -0.539 -7.503 1034 HB2 GLN 442 2HB GLN 442 -7.680 -3.374 -7.096 1035 HB3 GLN 442 1HB GLN 442 -7.730 -2.190 -5.793 1036 HG2 GLN 442 2HG GLN 442 -9.215 -0.757 -7.041 1037 HG3 GLN 442 1HG GLN 442 -9.038 -1.743 -8.490 1038 HE21 GLN 442 1HE2 GLN 442 -9.288 -4.298 -7.190 1039 HE22 GLN 442 2HE2 GLN 442 -10.932 -4.450 -6.686 1040 H LEU 443 H LEU 443 -5.173 -3.794 -7.094 1041 HA LEU 443 HA LEU 443 -3.596 -2.999 -4.826 1042 HB2 LEU 443 2HB LEU 443 -3.492 -5.411 -6.653 1043 HB3 LEU 443 1HB LEU 443 -2.288 -5.169 -5.407 1044 HG LEU 443 HG LEU 443 -4.086 -5.304 -3.667 1045 HD11 LEU 443 1HD1 LEU 443 -5.936 -6.123 -5.917 1046 HD12 LEU 443 2HD1 LEU 443 -6.026 -4.615 -5.009 1047 HD13 LEU 443 3HD1 LEU 443 -6.298 -6.149 -4.187 1048 HD21 LEU 443 1HD2 LEU 443 -4.395 -7.746 -3.829 1049 HD22 LEU 443 2HD2 LEU 443 -2.745 -7.267 -4.224 1050 HD23 LEU 443 3HD2 LEU 443 -3.867 -7.702 -5.516 1051 H ASP 444 H ASP 444 -3.164 -2.717 -8.249 1052 HA ASP 444 HA ASP 444 -0.280 -2.566 -8.290 1053 HB2 ASP 444 2HB ASP 444 -1.570 -3.468 -10.216 1054 HB3 ASP 444 1HB ASP 444 -2.312 -1.891 -10.468 1055 H THR 445 H THR 445 -2.964 -0.234 -8.431 1056 HA THR 445 HA THR 445 -1.236 2.061 -8.610 1057 HB THR 445 HB THR 445 -3.610 2.155 -9.441 1058 HG1 THR 445 HG1 THR 445 -2.260 4.027 -8.641 1059 HG21 THR 445 1HG2 THR 445 -4.370 2.309 -6.500 1060 HG22 THR 445 2HG2 THR 445 -4.752 0.965 -7.578 1061 HG23 THR 445 3HG2 THR 445 -5.454 2.558 -7.873 1062 H MET 446 H MET 446 -2.808 0.205 -6.023 1063 HA MET 446 HA MET 446 -2.046 1.728 -3.795 1064 HB2 MET 446 2HB MET 446 -3.547 -0.279 -3.653 1065 HB3 MET 446 1HB MET 446 -2.172 -1.321 -3.994 1066 HG2 MET 446 2HG MET 446 -1.089 -0.519 -1.899 1067 HG3 MET 446 1HG MET 446 -2.528 0.445 -1.558 1068 HE1 MET 446 1HE MET 446 -2.761 -0.674 0.840 1069 HE2 MET 446 2HE MET 446 -1.313 -1.641 0.541 1070 HE3 MET 446 3HE MET 446 -2.792 -2.417 1.103 1071 H MET 447 H MET 447 -0.331 -0.683 -5.733 1072 HA MET 447 HA MET 447 1.988 -0.950 -4.166 1073 HB2 MET 447 2HB MET 447 1.396 -2.633 -5.794 1074 HB3 MET 447 1HB MET 447 1.545 -1.490 -7.118 1075 HG2 MET 447 2HG MET 447 3.908 -1.469 -6.992 1076 HG3 MET 447 1HG MET 447 3.918 -2.142 -5.360 1077 HE1 MET 447 1HE MET 447 1.782 -4.386 -5.560 1078 HE2 MET 447 2HE MET 447 3.348 -4.682 -4.795 1079 HE3 MET 447 3HE MET 447 2.737 -5.791 -6.014 1080 H SER 448 H SER 448 1.362 1.042 -7.066 1081 HA SER 448 HA SER 448 3.965 2.130 -7.270 1082 HB2 SER 448 2HB SER 448 2.790 3.895 -8.702 1083 HB3 SER 448 1HB SER 448 2.545 2.220 -9.201 1084 HG SER 448 HG SER 448 0.538 2.910 -9.167 1085 H LYS 449 H LYS 449 1.048 3.207 -5.550 1086 HA LYS 449 HA LYS 449 2.155 5.640 -4.564 1087 HB2 LYS 449 2HB LYS 449 -0.188 3.999 -3.530 1088 HB3 LYS 449 1HB LYS 449 0.273 5.573 -2.886 1089 HG2 LYS 449 2HG LYS 449 -0.017 6.481 -5.266 1090 HG3 LYS 449 1HG LYS 449 -0.781 4.938 -5.653 1091 HD2 LYS 449 2HD LYS 449 -2.527 6.537 -5.143 1092 HD3 LYS 449 1HD LYS 449 -2.452 5.373 -3.818 1093 HE2 LYS 449 2HE LYS 449 -1.221 6.969 -2.436 1094 HE3 LYS 449 1HE LYS 449 -1.142 8.116 -3.776 1095 HZ1 LYS 449 1HZ LYS 449 -2.863 8.776 -2.305 1096 HZ2 LYS 449 2HZ LYS 449 -3.574 7.247 -2.316 1097 HZ3 LYS 449 3HZ LYS 449 -3.599 8.197 -3.711 1098 H LEU 450 H LEU 450 1.964 2.327 -3.175 1099 HA LEU 450 HA LEU 450 3.073 3.181 -0.671 1100 HB2 LEU 450 2HB LEU 450 2.951 0.926 0.111 1101 HB3 LEU 450 1HB LEU 450 1.481 1.305 -0.747 1102 HG LEU 450 HG LEU 450 2.518 -0.042 -2.725 1103 HD11 LEU 450 1HD1 LEU 450 4.274 -1.161 -0.521 1104 HD12 LEU 450 2HD1 LEU 450 4.815 -0.276 -1.948 1105 HD13 LEU 450 3HD1 LEU 450 4.066 -1.858 -2.133 1106 HD21 LEU 450 1HD2 LEU 450 1.625 -2.151 -1.858 1107 HD22 LEU 450 2HD2 LEU 450 0.585 -0.796 -1.436 1108 HD23 LEU 450 3HD2 LEU 450 1.646 -1.502 -0.214 1109 H ASN 451 H ASN 451 4.412 2.258 -3.664 1110 HA ASN 451 HA ASN 451 7.053 1.581 -2.679 1111 HB2 ASN 451 2HB ASN 451 6.137 0.688 -4.857 1112 HB3 ASN 451 1HB ASN 451 6.208 2.315 -5.530 1113 HD21 ASN 451 1HD2 ASN 451 8.263 3.211 -5.997 1114 HD22 ASN 451 2HD2 ASN 451 9.677 2.226 -6.111 1115 H ASN 452 H ASN 452 5.447 4.391 -4.162 1116 HA ASN 452 HA ASN 452 7.593 6.231 -4.132 1117 HB2 ASN 452 2HB ASN 452 5.499 6.704 -5.350 1118 HB3 ASN 452 1HB ASN 452 4.590 6.726 -3.841 1119 HD21 ASN 452 1HD2 ASN 452 3.876 8.835 -3.997 1120 HD22 ASN 452 2HD2 ASN 452 4.913 10.214 -3.974 1121 H THR 453 H THR 453 5.069 5.483 -1.727 1122 HA THR 453 HA THR 453 5.793 7.404 0.183 1123 HB THR 453 HB THR 453 4.438 6.061 1.826 1124 HG1 THR 453 HG1 THR 453 4.216 4.027 1.401 1125 HG21 THR 453 1HG2 THR 453 2.255 6.289 0.689 1126 HG22 THR 453 2HG2 THR 453 3.070 6.461 -0.867 1127 HG23 THR 453 3HG2 THR 453 3.278 7.693 0.378 1128 H SER 454 H SER 454 6.450 3.852 0.102 1129 HA SER 454 HA SER 454 7.983 3.592 2.367 1130 HB2 SER 454 2HB SER 454 9.029 1.602 1.270 1131 HB3 SER 454 1HB SER 454 7.278 1.644 1.094 1132 HG SER 454 HG SER 454 7.511 1.723 -0.965 1133 H SER 455 H SER 455 9.067 4.614 -0.854 1134 HA SER 455 HA SER 455 11.813 4.753 -0.414 1135 HB2 SER 455 2HB SER 455 10.724 5.009 -2.644 1136 HB3 SER 455 1HB SER 455 10.151 6.610 -2.175 1137 HG SER 455 HG SER 455 12.868 5.790 -2.296 1138 H TYR 456 H TYR 456 9.492 7.549 -0.231 1139 HA TYR 456 HA TYR 456 11.522 9.170 1.029 1140 HB2 TYR 456 2HB TYR 456 9.878 10.976 1.147 1141 HB3 TYR 456 1HB TYR 456 9.952 10.269 -0.454 1142 HD1 TYR 456 HD1 TYR 456 7.887 9.899 2.708 1143 HD2 TYR 456 HD2 TYR 456 7.899 10.027 -1.564 1144 HE1 TYR 456 HE1 TYR 456 5.442 9.829 2.700 1145 HE2 TYR 456 HE2 TYR 456 5.439 9.948 -1.564 1146 HH TYR 456 HH TYR 456 3.606 9.254 -0.105 1147 H LEU 457 H LEU 457 9.217 6.981 2.305 1148 HA LEU 457 HA LEU 457 8.842 8.144 4.894 1149 HB2 LEU 457 2HB LEU 457 8.300 5.359 3.805 1150 HB3 LEU 457 1HB LEU 457 8.116 5.705 5.516 1151 HG LEU 457 HG LEU 457 6.509 6.968 3.259 1152 HD11 LEU 457 1HD1 LEU 457 4.609 5.720 4.217 1153 HD12 LEU 457 2HD1 LEU 457 5.688 4.967 5.396 1154 HD13 LEU 457 3HD1 LEU 457 5.889 4.637 3.673 1155 HD21 LEU 457 1HD2 LEU 457 5.175 8.030 5.035 1156 HD22 LEU 457 2HD2 LEU 457 6.844 8.588 5.053 1157 HD23 LEU 457 3HD2 LEU 457 6.295 7.416 6.254 1158 H THR 458 H THR 458 10.985 5.646 3.527 1159 HA THR 458 HA THR 458 12.218 5.009 6.041 1160 HB THR 458 HB THR 458 12.076 3.412 4.064 1161 HG1 THR 458 HG1 THR 458 13.864 2.389 4.774 1162 HG21 THR 458 1HG2 THR 458 12.868 4.907 2.248 1163 HG22 THR 458 2HG2 THR 458 13.871 3.462 2.368 1164 HG23 THR 458 3HG2 THR 458 14.458 4.997 3.010 1165 H GLN 459 H GLN 459 12.981 7.177 3.316 1166 HA GLN 459 HA GLN 459 15.488 8.156 4.214 1167 HB2 GLN 459 2HB GLN 459 13.292 9.607 2.675 1168 HB3 GLN 459 1HB GLN 459 14.933 10.213 2.872 1169 HG2 GLN 459 2HG GLN 459 15.808 8.297 1.617 1170 HG3 GLN 459 1HG GLN 459 14.180 7.647 1.444 1171 HE21 GLN 459 1HE2 GLN 459 12.987 10.335 0.939 1172 HE22 GLN 459 2HE2 GLN 459 13.451 10.735 -0.674 1173 H GLN 460 H GLN 460 12.184 9.257 4.870 1174 HA GLN 460 HA GLN 460 12.876 11.536 6.431 1175 HB2 GLN 460 2HB GLN 460 10.721 11.065 5.053 1176 HB3 GLN 460 1HB GLN 460 10.167 10.127 6.429 1177 HG2 GLN 460 2HG GLN 460 10.955 13.044 6.595 1178 HG3 GLN 460 1HG GLN 460 9.310 12.508 6.269 1179 HE21 GLN 460 1HE2 GLN 460 10.632 13.984 8.527 1180 HE22 GLN 460 2HE2 GLN 460 10.079 13.181 9.943 1181 H PHE 461 H PHE 461 11.972 8.211 7.187 1182 HA PHE 461 HA PHE 461 11.625 8.357 9.966 1183 HB2 PHE 461 2HB PHE 461 10.857 6.378 8.910 1184 HB3 PHE 461 1HB PHE 461 12.364 6.128 8.050 1185 HD1 PHE 461 HD1 PHE 461 11.446 6.477 11.705 1186 HD2 PHE 461 HD2 PHE 461 13.371 4.133 8.684 1187 HE1 PHE 461 HE1 PHE 461 12.170 4.852 13.398 1188 HE2 PHE 461 HE2 PHE 461 14.079 2.521 10.394 1189 HZ PHE 461 HZ PHE 461 13.483 2.883 12.752 1190 H THR 462 H THR 462 14.483 7.308 8.093 1191 HA THR 462 HA THR 462 16.208 6.999 10.301 1192 HB THR 462 HB THR 462 16.946 7.475 7.382 1193 HG1 THR 462 HG1 THR 462 15.973 5.622 7.136 1194 HG21 THR 462 1HG2 THR 462 18.507 6.083 9.597 1195 HG22 THR 462 2HG2 THR 462 18.911 7.648 8.887 1196 HG23 THR 462 3HG2 THR 462 18.995 6.185 7.904 1197 H ALA 463 H ALA 463 15.393 9.787 8.302 1198 HA ALA 463 HA ALA 463 17.428 11.574 9.198 1199 HB1 ALA 463 1HB ALA 463 14.652 12.171 8.106 1200 HB2 ALA 463 2HB ALA 463 16.120 11.967 7.150 1201 HB3 ALA 463 3HB ALA 463 15.974 13.333 8.254 1202 H MET 464 H MET 464 14.035 11.068 10.239 1203 HA MET 464 HA MET 464 13.925 13.158 12.157 1204 HB2 MET 464 2HB MET 464 11.878 12.168 11.139 1205 HB3 MET 464 1HB MET 464 12.203 10.643 11.951 1206 HG2 MET 464 2HG MET 464 12.034 11.976 14.155 1207 HG3 MET 464 1HG MET 464 11.339 13.267 13.178 1208 HE1 MET 464 1HE MET 464 8.041 11.553 11.879 1209 HE2 MET 464 2HE MET 464 9.586 11.638 11.030 1210 HE3 MET 464 3HE MET 464 8.980 13.044 11.913 1211 H ASN 465 H ASN 465 14.762 9.770 12.313 1212 HA ASN 465 HA ASN 465 14.837 9.603 15.191 1213 HB2 ASN 465 2HB ASN 465 14.224 7.682 13.637 1214 HB3 ASN 465 1HB ASN 465 15.909 7.606 13.142 1215 HD21 ASN 465 1HD2 ASN 465 14.114 5.672 14.557 1216 HD22 ASN 465 2HD2 ASN 465 14.974 5.224 15.989 1217 H LYS 466 H LYS 466 17.402 9.105 12.692 1218 HA LYS 466 HA LYS 466 19.294 10.663 14.354 1219 HB2 LYS 466 2HB LYS 466 21.143 9.121 13.523 1220 HB3 LYS 466 1HB LYS 466 20.050 8.442 14.712 1221 HG2 LYS 466 2HG LYS 466 19.540 7.908 11.786 1222 HG3 LYS 466 1HG LYS 466 20.826 7.026 12.604 1223 HD2 LYS 466 2HD LYS 466 17.928 7.077 13.540 1224 HD3 LYS 466 1HD LYS 466 18.618 5.810 12.526 1225 HE2 LYS 466 2HE LYS 466 20.195 5.201 14.301 1226 HE3 LYS 466 1HE LYS 466 19.612 6.524 15.313 1227 HZ1 LYS 466 1HZ LYS 466 17.964 4.217 14.411 1228 HZ2 LYS 466 2HZ LYS 466 17.465 5.457 15.440 1229 HZ3 LYS 466 3HZ LYS 466 18.658 4.377 15.946 1230 H SER 467 H SER 467 18.491 12.461 12.869 1231 HA SER 467 HA SER 467 19.163 12.945 10.304 1232 HB2 SER 467 2HB SER 467 19.833 14.811 12.622 1233 HB3 SER 467 1HB SER 467 19.665 15.298 10.936 1234 HG SER 467 HG SER 467 17.470 14.344 11.145 Start of MODEL 5 1 H1 MET 1 1H MET 1 -1.540 22.938 19.786 2 H2 MET 1 2H MET 1 -0.094 23.139 20.628 3 H3 MET 1 3H MET 1 -0.955 21.693 20.760 4 HA MET 1 HA MET 1 0.280 22.737 18.293 5 HB2 MET 1 2HB MET 1 1.933 20.888 18.582 6 HB3 MET 1 1HB MET 1 2.020 22.090 19.856 7 HG2 MET 1 2HG MET 1 0.847 20.583 21.391 8 HG3 MET 1 1HG MET 1 0.681 19.386 20.106 9 HE1 MET 1 1HE MET 1 3.337 17.489 22.141 10 HE2 MET 1 2HE MET 1 1.800 17.407 21.278 11 HE3 MET 1 3HE MET 1 1.929 18.337 22.772 12 H THR 2 H THR 2 -1.720 22.417 17.201 13 HA THR 2 HA THR 2 -3.215 19.986 17.268 14 HB THR 2 HB THR 2 -4.393 20.942 15.220 15 HG1 THR 2 HG1 THR 2 -3.394 22.474 14.180 16 HG21 THR 2 1HG2 THR 2 -4.129 22.821 17.602 17 HG22 THR 2 2HG2 THR 2 -5.234 21.449 17.488 18 HG23 THR 2 3HG2 THR 2 -5.436 22.836 16.416 19 H SER 3 H SER 3 -0.888 21.317 14.898 20 HA SER 3 HA SER 3 -1.086 19.196 13.020 21 HB2 SER 3 2HB SER 3 1.200 21.162 13.452 22 HB3 SER 3 1HB SER 3 0.968 20.150 12.020 23 HG SER 3 HG SER 3 -0.108 21.839 11.365 24 H THR 4 H THR 4 0.864 19.671 15.892 25 HA THR 4 HA THR 4 2.668 17.494 15.460 26 HB THR 4 HB THR 4 1.998 18.995 18.021 27 HG1 THR 4 HG1 THR 4 4.420 19.446 16.780 28 HG21 THR 4 1HG2 THR 4 4.182 18.179 18.856 29 HG22 THR 4 2HG2 THR 4 4.374 17.203 17.401 30 HG23 THR 4 3HG2 THR 4 3.078 16.836 18.539 31 H VAL 5 H VAL 5 -0.440 17.820 17.253 32 HA VAL 5 HA VAL 5 -0.218 15.198 18.432 33 HB VAL 5 HB VAL 5 -1.493 16.998 19.572 34 HG11 VAL 5 1HG1 VAL 5 -3.590 16.631 17.417 35 HG12 VAL 5 2HG1 VAL 5 -2.590 18.062 17.669 36 HG13 VAL 5 3HG1 VAL 5 -3.778 17.592 18.889 37 HG21 VAL 5 1HG2 VAL 5 -3.364 15.597 20.367 38 HG22 VAL 5 2HG2 VAL 5 -1.884 14.652 20.194 39 HG23 VAL 5 3HG2 VAL 5 -3.158 14.523 18.979 40 H GLU 6 H GLU 6 -1.870 16.510 15.547 41 HA GLU 6 HA GLU 6 -3.187 14.057 14.846 42 HB2 GLU 6 2HB GLU 6 -3.604 15.069 12.652 43 HB3 GLU 6 1HB GLU 6 -3.960 16.217 13.935 44 HG2 GLU 6 2HG GLU 6 -1.768 17.319 13.514 45 HG3 GLU 6 1HG GLU 6 -1.493 16.195 12.185 46 H PHE 7 H PHE 7 -0.029 15.492 14.074 47 HA PHE 7 HA PHE 7 1.096 13.575 12.419 48 HB2 PHE 7 2HB PHE 7 2.280 15.594 12.975 49 HB3 PHE 7 1HB PHE 7 2.233 15.244 14.686 50 HD1 PHE 7 HD1 PHE 7 4.013 14.618 11.524 51 HD2 PHE 7 HD2 PHE 7 3.846 13.679 15.694 52 HE1 PHE 7 HE1 PHE 7 6.314 13.736 11.451 53 HE2 PHE 7 HE2 PHE 7 6.134 12.809 15.582 54 HZ PHE 7 HZ PHE 7 7.370 12.852 13.468 55 H ILE 8 H ILE 8 1.000 13.521 16.022 56 HA ILE 8 HA ILE 8 2.232 11.053 16.496 57 HB ILE 8 HB ILE 8 0.030 12.370 18.158 58 HG12 ILE 8 2HG1 ILE 8 3.052 12.558 18.541 59 HG13 ILE 8 1HG1 ILE 8 2.068 13.805 17.791 60 HG21 ILE 8 1HG2 ILE 8 0.908 11.049 20.068 61 HG22 ILE 8 2HG2 ILE 8 2.020 10.223 18.976 62 HG23 ILE 8 3HG2 ILE 8 0.278 10.012 18.785 63 HD11 ILE 8 1HD1 ILE 8 2.568 14.362 20.085 64 HD12 ILE 8 2HD1 ILE 8 1.840 12.858 20.645 65 HD13 ILE 8 3HD1 ILE 8 0.837 14.099 19.886 66 H ASN 9 H ASN 9 -1.299 11.717 16.542 67 HA ASN 9 HA ASN 9 -2.112 9.070 16.979 68 HB2 ASN 9 2HB ASN 9 -3.662 11.477 15.959 69 HB3 ASN 9 1HB ASN 9 -4.432 9.911 16.197 70 HD21 ASN 9 1HD2 ASN 9 -3.196 12.732 17.750 71 HD22 ASN 9 2HD2 ASN 9 -3.655 12.303 19.358 72 H ARG 10 H ARG 10 -1.701 10.848 13.920 73 HA ARG 10 HA ARG 10 -3.052 8.802 12.384 74 HB2 ARG 10 2HB ARG 10 -1.419 11.179 11.430 75 HB3 ARG 10 1HB ARG 10 -2.307 10.082 10.370 76 HG2 ARG 10 2HG ARG 10 -4.429 10.760 11.396 77 HG3 ARG 10 1HG ARG 10 -3.567 11.794 12.540 78 HD2 ARG 10 2HD ARG 10 -3.752 12.143 9.534 79 HD3 ARG 10 1HD ARG 10 -4.445 13.187 10.782 80 HE ARG 10 HE ARG 10 -1.615 12.982 11.065 81 HH11 ARG 10 1HH1 ARG 10 -4.049 14.649 9.134 82 HH12 ARG 10 2HH1 ARG 10 -2.994 15.978 8.765 83 HH21 ARG 10 1HH2 ARG 10 -0.262 14.732 10.552 84 HH22 ARG 10 2HH2 ARG 10 -0.868 16.021 9.562 85 H TRP 11 H TRP 11 0.412 9.593 13.038 86 HA TRP 11 HA TRP 11 1.521 7.566 11.392 87 HB2 TRP 11 2HB TRP 11 2.539 8.889 13.926 88 HB3 TRP 11 1HB TRP 11 3.411 7.517 13.252 89 HD1 TRP 11 HD1 TRP 11 3.490 11.147 13.123 90 HE1 TRP 11 HE1 TRP 11 4.798 11.989 11.089 91 HE3 TRP 11 HE3 TRP 11 3.661 6.831 10.380 92 HZ2 TRP 11 HZ2 TRP 11 5.787 11.010 8.681 93 HZ3 TRP 11 HZ3 TRP 11 4.820 6.879 8.203 94 HH2 TRP 11 HH2 TRP 11 5.857 8.937 7.382 95 H GLN 12 H GLN 12 0.285 7.499 14.712 96 HA GLN 12 HA GLN 12 0.655 4.810 15.344 97 HB2 GLN 12 2HB GLN 12 -0.103 6.464 16.992 98 HB3 GLN 12 1HB GLN 12 -1.622 6.673 16.132 99 HG2 GLN 12 2HG GLN 12 -2.268 4.365 16.681 100 HG3 GLN 12 1HG GLN 12 -0.723 4.124 17.503 101 HE21 GLN 12 1HE2 GLN 12 -1.772 3.643 19.458 102 HE22 GLN 12 2HE2 GLN 12 -2.531 4.865 20.418 103 H ARG 13 H ARG 13 -2.042 6.395 13.568 104 HA ARG 13 HA ARG 13 -3.599 4.078 13.122 105 HB2 ARG 13 2HB ARG 13 -3.431 6.534 11.316 106 HB3 ARG 13 1HB ARG 13 -4.702 5.318 11.282 107 HG2 ARG 13 2HG ARG 13 -4.135 7.284 13.511 108 HG3 ARG 13 1HG ARG 13 -5.494 7.322 12.395 109 HD2 ARG 13 2HD ARG 13 -6.429 5.309 13.382 110 HD3 ARG 13 1HD ARG 13 -5.000 5.085 14.399 111 HE ARG 13 HE ARG 13 -7.063 7.177 14.699 112 HH11 ARG 13 1HH1 ARG 13 -4.291 5.477 16.047 113 HH12 ARG 13 2HH1 ARG 13 -4.473 6.184 17.618 114 HH21 ARG 13 1HH2 ARG 13 -7.241 8.138 16.751 115 HH22 ARG 13 2HH2 ARG 13 -6.140 7.689 18.016 116 H ILE 14 H ILE 14 -0.930 5.534 11.274 117 HA ILE 14 HA ILE 14 -1.149 4.048 8.899 118 HB ILE 14 HB ILE 14 1.272 5.413 10.167 119 HG12 ILE 14 2HG1 ILE 14 -0.456 6.295 7.817 120 HG13 ILE 14 1HG1 ILE 14 -0.693 6.841 9.465 121 HG21 ILE 14 1HG2 ILE 14 2.396 5.311 7.969 122 HG22 ILE 14 2HG2 ILE 14 1.074 4.328 7.336 123 HG23 ILE 14 3HG2 ILE 14 2.106 3.694 8.616 124 HD11 ILE 14 1HD1 ILE 14 0.465 8.497 8.158 125 HD12 ILE 14 2HD1 ILE 14 1.749 7.349 7.779 126 HD13 ILE 14 3HD1 ILE 14 1.507 7.891 9.442 127 H ALA 15 H ALA 15 0.746 3.400 11.865 128 HA ALA 15 HA ALA 15 1.971 0.999 10.901 129 HB1 ALA 15 1HB ALA 15 1.641 1.963 13.753 130 HB2 ALA 15 2HB ALA 15 2.982 2.350 12.678 131 HB3 ALA 15 3HB ALA 15 2.737 0.684 13.204 132 H LEU 16 H LEU 16 -0.915 1.652 12.899 133 HA LEU 16 HA LEU 16 -1.520 -1.052 13.555 134 HB2 LEU 16 2HB LEU 16 -3.316 1.402 13.436 135 HB3 LEU 16 1HB LEU 16 -3.837 -0.152 14.072 136 HG LEU 16 HG LEU 16 -1.609 1.568 15.239 137 HD11 LEU 16 1HD1 LEU 16 -3.814 2.575 15.584 138 HD12 LEU 16 2HD1 LEU 16 -3.132 2.000 17.103 139 HD13 LEU 16 3HD1 LEU 16 -4.406 1.074 16.304 140 HD21 LEU 16 1HD2 LEU 16 -2.779 -1.034 16.283 141 HD22 LEU 16 2HD2 LEU 16 -1.605 -0.014 17.121 142 HD23 LEU 16 3HD2 LEU 16 -1.160 -0.805 15.613 143 H LEU 17 H LEU 17 -2.456 1.062 10.884 144 HA LEU 17 HA LEU 17 -4.384 -0.691 9.720 145 HB2 LEU 17 2HB LEU 17 -2.948 1.740 8.563 146 HB3 LEU 17 1HB LEU 17 -4.170 0.834 7.680 147 HG LEU 17 HG LEU 17 -4.617 2.370 10.268 148 HD11 LEU 17 1HD1 LEU 17 -6.027 3.857 8.929 149 HD12 LEU 17 2HD1 LEU 17 -5.590 2.971 7.465 150 HD13 LEU 17 3HD1 LEU 17 -4.356 3.858 8.364 151 HD21 LEU 17 1HD2 LEU 17 -6.021 0.388 10.258 152 HD22 LEU 17 2HD2 LEU 17 -6.615 0.771 8.640 153 HD23 LEU 17 3HD2 LEU 17 -7.002 1.829 9.999 154 H SER 18 H SER 18 -0.966 0.109 8.970 155 HA SER 18 HA SER 18 -0.613 -1.482 6.708 156 HB2 SER 18 2HB SER 18 1.833 -1.448 7.280 157 HB3 SER 18 1HB SER 18 1.085 0.144 7.374 158 HG SER 18 HG SER 18 1.811 -1.574 9.496 159 H GLN 19 H GLN 19 -0.211 -2.295 10.142 160 HA GLN 19 HA GLN 19 0.711 -4.952 9.815 161 HB2 GLN 19 2HB GLN 19 0.975 -3.692 11.924 162 HB3 GLN 19 1HB GLN 19 -0.769 -3.673 12.161 163 HG2 GLN 19 2HG GLN 19 -0.787 -6.099 12.450 164 HG3 GLN 19 1HG GLN 19 0.937 -6.179 12.098 165 HE21 GLN 19 1HE2 GLN 19 -0.541 -3.677 14.134 166 HE22 GLN 19 2HE2 GLN 19 0.171 -4.227 15.608 167 H SER 20 H SER 20 -2.561 -3.599 10.310 168 HA SER 20 HA SER 20 -3.981 -6.027 10.475 169 HB2 SER 20 2HB SER 20 -4.963 -3.297 9.535 170 HB3 SER 20 1HB SER 20 -6.005 -4.655 9.966 171 HG SER 20 HG SER 20 -4.082 -3.799 11.813 172 H LEU 21 H LEU 21 -3.706 -3.818 7.653 173 HA LEU 21 HA LEU 21 -5.016 -5.574 5.876 174 HB2 LEU 21 2HB LEU 21 -4.424 -3.962 4.097 175 HB3 LEU 21 1HB LEU 21 -5.185 -3.229 5.490 176 HG LEU 21 HG LEU 21 -2.768 -2.567 6.219 177 HD11 LEU 21 1HD1 LEU 21 -1.489 -3.909 4.683 178 HD12 LEU 21 2HD1 LEU 21 -1.160 -2.199 4.419 179 HD13 LEU 21 3HD1 LEU 21 -2.210 -3.079 3.304 180 HD21 LEU 21 1HD2 LEU 21 -4.051 -1.199 3.842 181 HD22 LEU 21 2HD2 LEU 21 -2.842 -0.490 4.921 182 HD23 LEU 21 3HD2 LEU 21 -4.427 -0.928 5.547 183 H LEU 22 H LEU 22 -1.687 -5.338 6.839 184 HA LEU 22 HA LEU 22 -0.470 -6.815 4.762 185 HB2 LEU 22 2HB LEU 22 0.901 -5.737 6.482 186 HB3 LEU 22 1HB LEU 22 0.163 -6.721 7.738 187 HG LEU 22 HG LEU 22 1.207 -8.769 6.676 188 HD11 LEU 22 1HD1 LEU 22 1.470 -7.936 4.397 189 HD12 LEU 22 2HD1 LEU 22 3.000 -8.513 5.048 190 HD13 LEU 22 3HD1 LEU 22 2.690 -6.778 4.941 191 HD21 LEU 22 1HD2 LEU 22 3.469 -8.356 7.521 192 HD22 LEU 22 2HD2 LEU 22 2.242 -7.716 8.611 193 HD23 LEU 22 3HD2 LEU 22 3.147 -6.621 7.565 194 H GLU 23 H GLU 23 -1.821 -7.847 7.897 195 HA GLU 23 HA GLU 23 -1.527 -10.640 7.470 196 HB2 GLU 23 2HB GLU 23 -3.295 -9.120 9.433 197 HB3 GLU 23 1HB GLU 23 -2.947 -10.848 9.517 198 HG2 GLU 23 2HG GLU 23 -0.539 -10.360 9.810 199 HG3 GLU 23 1HG GLU 23 -0.877 -8.632 9.716 200 H LEU 24 H LEU 24 -4.049 -8.360 6.658 201 HA LEU 24 HA LEU 24 -6.105 -10.237 6.007 202 HB2 LEU 24 2HB LEU 24 -5.680 -7.349 5.129 203 HB3 LEU 24 1HB LEU 24 -7.139 -8.274 4.796 204 HG LEU 24 HG LEU 24 -6.130 -7.640 7.595 205 HD11 LEU 24 1HD1 LEU 24 -6.743 -5.562 6.563 206 HD12 LEU 24 2HD1 LEU 24 -7.994 -6.004 7.721 207 HD13 LEU 24 3HD1 LEU 24 -8.269 -6.230 5.991 208 HD21 LEU 24 1HD2 LEU 24 -8.351 -8.377 8.343 209 HD22 LEU 24 2HD2 LEU 24 -7.477 -9.672 7.532 210 HD23 LEU 24 3HD2 LEU 24 -8.772 -8.820 6.686 211 H ALA 25 H ALA 25 -3.737 -8.422 4.016 212 HA ALA 25 HA ALA 25 -4.340 -9.524 1.483 213 HB1 ALA 25 1HB ALA 25 -2.123 -8.682 0.797 214 HB2 ALA 25 2HB ALA 25 -1.674 -8.443 2.490 215 HB3 ALA 25 3HB ALA 25 -2.973 -7.490 1.775 216 H GLN 26 H GLN 26 -2.216 -10.560 4.055 217 HA GLN 26 HA GLN 26 -0.808 -12.646 2.732 218 HB2 GLN 26 2HB GLN 26 0.007 -11.463 4.741 219 HB3 GLN 26 1HB GLN 26 -1.334 -12.094 5.685 220 HG2 GLN 26 2HG GLN 26 -0.435 -14.378 5.409 221 HG3 GLN 26 1HG GLN 26 0.907 -13.730 4.467 222 HE21 GLN 26 1HE2 GLN 26 1.254 -11.349 6.160 223 HE22 GLN 26 2HE2 GLN 26 1.957 -11.909 7.631 224 H ARG 27 H ARG 27 -3.657 -12.537 4.840 225 HA ARG 27 HA ARG 27 -4.184 -15.383 4.732 226 HB2 ARG 27 2HB ARG 27 -4.891 -13.312 6.478 227 HB3 ARG 27 1HB ARG 27 -6.399 -13.608 5.645 228 HG2 ARG 27 2HG ARG 27 -4.791 -15.668 7.182 229 HG3 ARG 27 1HG ARG 27 -6.235 -14.842 7.767 230 HD2 ARG 27 2HD ARG 27 -6.103 -16.763 5.420 231 HD3 ARG 27 1HD ARG 27 -6.773 -17.099 7.018 232 HE ARG 27 HE ARG 27 -7.909 -14.945 5.342 233 HH11 ARG 27 1HH1 ARG 27 -8.380 -18.028 7.016 234 HH12 ARG 27 2HH1 ARG 27 -10.099 -18.008 6.789 235 HH21 ARG 27 1HH2 ARG 27 -10.148 -14.981 5.035 236 HH22 ARG 27 2HH2 ARG 27 -11.099 -16.286 5.670 237 H GLY 28 H GLY 28 -4.798 -12.724 2.660 238 HA2 GLY 28 2HA GLY 28 -5.261 -13.221 0.378 239 HA3 GLY 28 1HA GLY 28 -6.349 -14.505 0.868 240 H GLU 29 H GLU 29 -7.111 -12.015 2.877 241 HA GLU 29 HA GLU 29 -9.495 -11.269 1.501 242 HB2 GLU 29 2HB GLU 29 -8.173 -10.199 4.023 243 HB3 GLU 29 1HB GLU 29 -9.653 -9.494 3.385 244 HG2 GLU 29 2HG GLU 29 -10.233 -10.996 5.152 245 HG3 GLU 29 1HG GLU 29 -10.769 -11.697 3.629 246 H TRP 30 H TRP 30 -8.898 -10.384 -0.491 247 HA TRP 30 HA TRP 30 -7.283 -8.013 -0.716 248 HB2 TRP 30 2HB TRP 30 -9.278 -9.117 -2.744 249 HB3 TRP 30 1HB TRP 30 -7.986 -7.960 -3.064 250 HD1 TRP 30 HD1 TRP 30 -8.611 -11.357 -3.835 251 HE1 TRP 30 HE1 TRP 30 -6.485 -12.776 -3.975 252 HE3 TRP 30 HE3 TRP 30 -5.330 -8.259 -1.389 253 HZ2 TRP 30 HZ2 TRP 30 -3.805 -12.642 -3.177 254 HZ3 TRP 30 HZ3 TRP 30 -3.000 -8.996 -1.114 255 HH2 TRP 30 HH2 TRP 30 -2.254 -11.150 -1.992 256 H ASP 31 H ASP 31 -10.685 -8.714 -0.288 257 HA ASP 31 HA ASP 31 -11.890 -6.266 -0.883 258 HB2 ASP 31 2HB ASP 31 -12.680 -8.224 1.336 259 HB3 ASP 31 1HB ASP 31 -13.735 -7.007 0.617 260 H LEU 32 H LEU 32 -10.843 -7.496 2.280 261 HA LEU 32 HA LEU 32 -11.251 -5.078 3.707 262 HB2 LEU 32 2HB LEU 32 -9.735 -7.615 4.420 263 HB3 LEU 32 1HB LEU 32 -9.965 -6.286 5.543 264 HG LEU 32 HG LEU 32 -12.221 -7.928 4.317 265 HD11 LEU 32 1HD1 LEU 32 -10.889 -9.257 5.888 266 HD12 LEU 32 2HD1 LEU 32 -12.490 -8.921 6.539 267 HD13 LEU 32 3HD1 LEU 32 -11.090 -8.019 7.131 268 HD21 LEU 32 1HD2 LEU 32 -12.920 -5.623 4.843 269 HD22 LEU 32 2HD2 LEU 32 -12.341 -5.817 6.499 270 HD23 LEU 32 3HD2 LEU 32 -13.690 -6.794 5.912 271 H LEU 33 H LEU 33 -8.368 -6.555 2.193 272 HA LEU 33 HA LEU 33 -6.345 -4.844 3.039 273 HB2 LEU 33 2HB LEU 33 -5.818 -6.770 1.634 274 HB3 LEU 33 1HB LEU 33 -6.766 -6.119 0.307 275 HG LEU 33 HG LEU 33 -5.101 -4.202 0.144 276 HD11 LEU 33 1HD1 LEU 33 -3.530 -5.842 2.132 277 HD12 LEU 33 2HD1 LEU 33 -4.160 -4.209 2.341 278 HD13 LEU 33 3HD1 LEU 33 -2.873 -4.510 1.178 279 HD21 LEU 33 1HD2 LEU 33 -3.369 -5.461 -1.032 280 HD22 LEU 33 2HD2 LEU 33 -4.977 -6.063 -1.424 281 HD23 LEU 33 3HD2 LEU 33 -3.947 -6.965 -0.307 282 H LEU 34 H LEU 34 -8.361 -4.470 0.115 283 HA LEU 34 HA LEU 34 -7.285 -1.941 -0.652 284 HB2 LEU 34 2HB LEU 34 -9.797 -3.375 -1.592 285 HB3 LEU 34 1HB LEU 34 -9.026 -2.031 -2.424 286 HG LEU 34 HG LEU 34 -7.705 -4.735 -1.957 287 HD11 LEU 34 1HD1 LEU 34 -8.100 -5.192 -4.338 288 HD12 LEU 34 2HD1 LEU 34 -9.064 -3.716 -4.459 289 HD13 LEU 34 3HD1 LEU 34 -9.597 -5.039 -3.421 290 HD21 LEU 34 1HD2 LEU 34 -6.087 -2.914 -2.187 291 HD22 LEU 34 2HD2 LEU 34 -6.821 -2.432 -3.720 292 HD23 LEU 34 3HD2 LEU 34 -6.032 -4.002 -3.569 293 H GLN 35 H GLN 35 -9.964 -2.927 1.332 294 HA GLN 35 HA GLN 35 -11.412 -0.484 1.453 295 HB2 GLN 35 2HB GLN 35 -12.352 -2.666 2.169 296 HB3 GLN 35 1HB GLN 35 -11.179 -2.760 3.474 297 HG2 GLN 35 2HG GLN 35 -13.325 -2.112 4.367 298 HG3 GLN 35 1HG GLN 35 -12.206 -0.761 4.522 299 HE21 GLN 35 1HE2 GLN 35 -13.886 -1.657 1.524 300 HE22 GLN 35 2HE2 GLN 35 -14.875 -0.246 1.465 301 H GLN 36 H GLN 36 -8.722 -1.872 3.332 302 HA GLN 36 HA GLN 36 -8.520 0.388 5.139 303 HB2 GLN 36 2HB GLN 36 -6.691 -2.024 4.777 304 HB3 GLN 36 1HB GLN 36 -6.540 -0.826 6.057 305 HG2 GLN 36 2HG GLN 36 -8.870 -2.717 5.651 306 HG3 GLN 36 1HG GLN 36 -7.615 -2.860 6.878 307 HE21 GLN 36 1HE2 GLN 36 -10.553 -2.599 7.132 308 HE22 GLN 36 2HE2 GLN 36 -10.802 -1.236 8.165 309 H GLU 37 H GLU 37 -7.176 -0.549 2.094 310 HA GLU 37 HA GLU 37 -4.696 0.623 1.865 311 HB2 GLU 37 2HB GLU 37 -5.700 -0.661 0.024 312 HB3 GLU 37 1HB GLU 37 -6.969 0.543 -0.174 313 HG2 GLU 37 2HG GLU 37 -5.094 2.203 -0.770 314 HG3 GLU 37 1HG GLU 37 -4.033 0.801 -0.872 315 H VAL 38 H VAL 38 -7.835 2.119 1.160 316 HA VAL 38 HA VAL 38 -6.884 4.594 0.281 317 HB VAL 38 HB VAL 38 -9.233 5.400 0.541 318 HG11 VAL 38 1HG1 VAL 38 -10.271 3.803 -1.048 319 HG12 VAL 38 2HG1 VAL 38 -8.985 2.639 -0.715 320 HG13 VAL 38 3HG1 VAL 38 -8.603 4.181 -1.484 321 HG21 VAL 38 1HG2 VAL 38 -9.781 2.683 1.803 322 HG22 VAL 38 2HG2 VAL 38 -11.001 3.883 1.359 323 HG23 VAL 38 3HG2 VAL 38 -9.835 4.242 2.632 324 H SER 39 H SER 39 -7.964 3.537 3.508 325 HA SER 39 HA SER 39 -7.756 6.074 4.792 326 HB2 SER 39 2HB SER 39 -7.660 3.278 6.030 327 HB3 SER 39 1HB SER 39 -8.041 4.788 6.867 328 HG SER 39 HG SER 39 -9.930 3.671 6.284 329 H TYR 40 H TYR 40 -5.563 3.406 4.243 330 HA TYR 40 HA TYR 40 -3.529 4.038 6.121 331 HB2 TYR 40 2HB TYR 40 -3.801 1.775 5.288 332 HB3 TYR 40 1HB TYR 40 -3.618 2.300 3.621 333 HD1 TYR 40 HD1 TYR 40 -1.568 2.749 6.761 334 HD2 TYR 40 HD2 TYR 40 -1.666 1.443 2.688 335 HE1 TYR 40 HE1 TYR 40 0.804 2.148 6.887 336 HE2 TYR 40 HE2 TYR 40 0.711 0.848 2.818 337 HH TYR 40 HH TYR 40 2.699 1.511 4.202 338 H LEU 41 H LEU 41 -3.570 4.308 2.557 339 HA LEU 41 HA LEU 41 -1.159 5.744 2.306 340 HB2 LEU 41 2HB LEU 41 -3.499 5.471 0.375 341 HB3 LEU 41 1HB LEU 41 -1.930 6.133 -0.059 342 HG LEU 41 HG LEU 41 -2.402 3.271 0.890 343 HD11 LEU 41 1HD1 LEU 41 -3.393 3.628 -1.317 344 HD12 LEU 41 2HD1 LEU 41 -1.977 2.586 -1.425 345 HD13 LEU 41 3HD1 LEU 41 -1.866 4.278 -1.920 346 HD21 LEU 41 1HD2 LEU 41 -0.078 2.855 0.205 347 HD22 LEU 41 2HD2 LEU 41 -0.159 4.068 1.478 348 HD23 LEU 41 3HD2 LEU 41 0.128 4.563 -0.193 349 H GLN 42 H GLN 42 -4.572 6.801 2.498 350 HA GLN 42 HA GLN 42 -4.310 9.553 2.155 351 HB2 GLN 42 2HB GLN 42 -6.482 8.390 2.431 352 HB3 GLN 42 1HB GLN 42 -6.111 8.067 4.118 353 HG2 GLN 42 2HG GLN 42 -6.139 10.527 4.548 354 HG3 GLN 42 1HG GLN 42 -6.609 10.788 2.869 355 HE21 GLN 42 1HE2 GLN 42 -7.765 8.179 4.989 356 HE22 GLN 42 2HE2 GLN 42 -9.407 8.705 5.037 357 H SER 43 H SER 43 -3.919 7.621 5.146 358 HA SER 43 HA SER 43 -3.383 9.720 6.934 359 HB2 SER 43 2HB SER 43 -2.523 6.805 7.063 360 HB3 SER 43 1HB SER 43 -2.399 7.942 8.403 361 HG SER 43 HG SER 43 -4.518 6.515 7.595 362 H ILE 44 H ILE 44 -1.187 7.783 4.909 363 HA ILE 44 HA ILE 44 1.267 8.785 5.932 364 HB ILE 44 HB ILE 44 0.706 7.643 3.152 365 HG12 ILE 44 2HG1 ILE 44 1.708 6.224 5.668 366 HG13 ILE 44 1HG1 ILE 44 0.082 6.088 5.013 367 HG21 ILE 44 1HG2 ILE 44 3.142 7.126 3.108 368 HG22 ILE 44 2HG2 ILE 44 3.342 7.980 4.636 369 HG23 ILE 44 3HG2 ILE 44 2.839 8.862 3.192 370 HD11 ILE 44 1HD1 ILE 44 2.614 5.157 3.660 371 HD12 ILE 44 2HD1 ILE 44 0.982 5.036 2.995 372 HD13 ILE 44 3HD1 ILE 44 1.405 4.149 4.457 373 H GLU 45 H GLU 45 -0.772 9.774 3.200 374 HA GLU 45 HA GLU 45 0.977 11.827 2.229 375 HB2 GLU 45 2HB GLU 45 -1.978 11.326 1.670 376 HB3 GLU 45 1HB GLU 45 -0.950 12.437 0.764 377 HG2 GLU 45 2HG GLU 45 0.439 10.592 -0.027 378 HG3 GLU 45 1HG GLU 45 -0.448 9.448 0.979 379 H THR 46 H THR 46 -1.626 11.758 4.599 380 HA THR 46 HA THR 46 -2.002 14.644 4.563 381 HB THR 46 HB THR 46 -3.912 12.997 4.931 382 HG1 THR 46 HG1 THR 46 -4.859 14.691 5.729 383 HG21 THR 46 1HG2 THR 46 -4.348 12.170 7.191 384 HG22 THR 46 2HG2 THR 46 -2.818 12.844 7.757 385 HG23 THR 46 3HG2 THR 46 -2.818 11.520 6.595 386 H VAL 47 H VAL 47 -0.198 12.285 6.546 387 HA VAL 47 HA VAL 47 0.619 14.273 8.490 388 HB VAL 47 HB VAL 47 2.409 12.697 9.212 389 HG11 VAL 47 1HG1 VAL 47 0.179 12.533 10.213 390 HG12 VAL 47 2HG1 VAL 47 0.950 10.948 10.129 391 HG13 VAL 47 3HG1 VAL 47 -0.313 11.378 8.970 392 HG21 VAL 47 1HG2 VAL 47 2.547 10.410 8.278 393 HG22 VAL 47 2HG2 VAL 47 2.961 11.632 7.074 394 HG23 VAL 47 3HG2 VAL 47 1.379 10.853 7.028 395 H MET 48 H MET 48 1.901 13.024 5.418 396 HA MET 48 HA MET 48 4.293 14.608 5.446 397 HB2 MET 48 2HB MET 48 2.886 13.050 3.251 398 HB3 MET 48 1HB MET 48 4.354 13.980 2.950 399 HG2 MET 48 2HG MET 48 4.096 11.696 4.924 400 HG3 MET 48 1HG MET 48 4.868 11.626 3.336 401 HE1 MET 48 1HE MET 48 6.235 10.817 6.211 402 HE2 MET 48 2HE MET 48 7.857 11.466 5.975 403 HE3 MET 48 3HE MET 48 7.056 10.599 4.663 404 H GLU 49 H GLU 49 1.020 15.316 4.666 405 HA GLU 49 HA GLU 49 1.391 17.670 3.108 406 HB2 GLU 49 2HB GLU 49 -0.788 16.474 3.335 407 HB3 GLU 49 1HB GLU 49 -0.871 16.929 5.032 408 HG2 GLU 49 2HG GLU 49 -2.343 18.338 3.670 409 HG3 GLU 49 1HG GLU 49 -1.057 19.303 4.398 410 H LYS 50 H LYS 50 1.501 16.971 6.548 411 HA LYS 50 HA LYS 50 2.256 19.757 7.221 412 HB2 LYS 50 2HB LYS 50 1.115 17.454 8.841 413 HB3 LYS 50 1HB LYS 50 2.087 18.667 9.662 414 HG2 LYS 50 2HG LYS 50 -0.284 19.170 9.894 415 HG3 LYS 50 1HG LYS 50 0.530 20.432 8.964 416 HD2 LYS 50 2HD LYS 50 -0.338 19.399 6.863 417 HD3 LYS 50 1HD LYS 50 -1.190 18.189 7.825 418 HE2 LYS 50 2HE LYS 50 -2.592 19.929 8.824 419 HE3 LYS 50 1HE LYS 50 -1.675 21.185 7.989 420 HZ1 LYS 50 1HZ LYS 50 -3.292 19.079 6.668 421 HZ2 LYS 50 2HZ LYS 50 -2.445 20.301 5.881 422 HZ3 LYS 50 3HZ LYS 50 -3.763 20.685 6.871 423 H GLN 51 H GLN 51 3.796 17.393 5.942 424 HA GLN 51 HA GLN 51 5.565 16.011 6.139 425 HB2 GLN 51 2HB GLN 51 7.751 17.305 6.316 426 HB3 GLN 51 1HB GLN 51 6.634 17.811 5.060 427 HG2 GLN 51 2HG GLN 51 6.045 19.806 6.233 428 HG3 GLN 51 1HG GLN 51 6.752 19.217 7.738 429 HE21 GLN 51 1HE2 GLN 51 8.156 20.900 8.072 430 HE22 GLN 51 2HE2 GLN 51 9.485 21.260 7.027 431 H THR 52 H THR 52 7.079 17.957 8.609 432 HA THR 52 HA THR 52 6.316 16.289 10.838 433 HB THR 52 HB THR 52 9.258 16.621 10.007 434 HG1 THR 52 HG1 THR 52 7.447 14.643 9.513 435 HG21 THR 52 1HG2 THR 52 9.795 15.238 11.977 436 HG22 THR 52 2HG2 THR 52 8.089 15.189 12.422 437 HG23 THR 52 3HG2 THR 52 8.970 16.721 12.470 438 HA PRO 53 HA PRO 53 6.193 20.741 12.122 439 HB2 PRO 53 2HB PRO 53 5.743 19.298 14.752 440 HB3 PRO 53 1HB PRO 53 4.877 20.699 14.076 441 HG2 PRO 53 2HG PRO 53 3.750 18.308 13.983 442 HG3 PRO 53 1HG PRO 53 3.641 19.384 12.569 443 HD2 PRO 53 2HD PRO 53 5.400 16.973 12.985 444 HD3 PRO 53 1HD PRO 53 4.569 17.527 11.510 445 HA PRO 54 HA PRO 54 10.360 21.194 13.878 446 HB2 PRO 54 2HB PRO 54 10.200 23.711 14.965 447 HB3 PRO 54 1HB PRO 54 10.263 23.438 13.212 448 HG2 PRO 54 2HG PRO 54 7.857 23.949 14.943 449 HG3 PRO 54 1HG PRO 54 8.285 24.678 13.378 450 HD2 PRO 54 2HD PRO 54 6.502 22.644 13.557 451 HD3 PRO 54 1HD PRO 54 7.589 22.808 12.160 452 H GLY 55 H GLY 55 7.471 21.539 15.831 453 HA2 GLY 55 2HA GLY 55 8.890 21.260 18.387 454 HA3 GLY 55 1HA GLY 55 7.177 21.583 18.153 455 H ILE 56 H ILE 56 9.442 19.030 17.120 456 HA ILE 56 HA ILE 56 7.631 16.971 18.250 457 HB ILE 56 HB ILE 56 9.856 16.671 16.176 458 HG12 ILE 56 2HG1 ILE 56 7.905 17.760 15.184 459 HG13 ILE 56 1HG1 ILE 56 7.996 16.111 14.583 460 HG21 ILE 56 1HG2 ILE 56 9.707 14.641 17.542 461 HG22 ILE 56 2HG2 ILE 56 9.099 14.326 15.916 462 HG23 ILE 56 3HG2 ILE 56 7.967 14.546 17.253 463 HD11 ILE 56 1HD1 ILE 56 6.129 17.179 16.687 464 HD12 ILE 56 2HD1 ILE 56 6.248 15.479 16.221 465 HD13 ILE 56 3HD1 ILE 56 5.727 16.684 15.044 466 H THR 57 H THR 57 8.226 16.669 20.320 467 HA THR 57 HA THR 57 10.921 16.953 21.304 468 HB THR 57 HB THR 57 8.967 17.487 22.749 469 HG1 THR 57 HG1 THR 57 10.775 17.011 23.915 470 HG21 THR 57 1HG2 THR 57 8.429 14.494 22.757 471 HG22 THR 57 2HG2 THR 57 7.401 15.729 22.030 472 HG23 THR 57 3HG2 THR 57 7.621 15.689 23.779 473 H ARG 58 H ARG 58 11.735 15.042 22.788 474 HA ARG 58 HA ARG 58 12.624 13.092 20.929 475 HB2 ARG 58 2HB ARG 58 14.123 12.344 22.603 476 HB3 ARG 58 1HB ARG 58 13.927 14.052 22.949 477 HG2 ARG 58 2HG ARG 58 12.572 11.783 24.445 478 HG3 ARG 58 1HG ARG 58 14.009 12.644 24.988 479 HD2 ARG 58 2HD ARG 58 11.274 13.899 24.574 480 HD3 ARG 58 1HD ARG 58 11.935 13.386 26.128 481 HE ARG 58 HE ARG 58 13.641 15.255 24.755 482 HH11 ARG 58 1HH1 ARG 58 10.804 15.046 26.857 483 HH12 ARG 58 2HH1 ARG 58 11.022 16.645 27.496 484 HH21 ARG 58 1HH2 ARG 58 13.903 17.338 25.625 485 HH22 ARG 58 2HH2 ARG 58 12.771 17.938 26.800 486 H SER 59 H SER 59 10.081 13.116 23.288 487 HA SER 59 HA SER 59 9.614 10.319 23.530 488 HB2 SER 59 2HB SER 59 8.841 11.941 25.220 489 HB3 SER 59 1HB SER 59 7.765 12.686 24.039 490 HG SER 59 HG SER 59 7.619 9.948 24.766 491 H ILE 60 H ILE 60 8.014 12.913 21.664 492 HA ILE 60 HA ILE 60 6.130 11.334 20.288 493 HB ILE 60 HB ILE 60 7.355 14.029 19.523 494 HG12 ILE 60 2HG1 ILE 60 4.664 13.399 20.827 495 HG13 ILE 60 1HG1 ILE 60 6.087 13.965 21.696 496 HG21 ILE 60 1HG2 ILE 60 5.407 14.333 18.008 497 HG22 ILE 60 2HG2 ILE 60 4.894 12.679 18.347 498 HG23 ILE 60 3HG2 ILE 60 6.418 12.972 17.508 499 HD11 ILE 60 1HD1 ILE 60 6.027 16.049 20.411 500 HD12 ILE 60 2HD1 ILE 60 4.542 15.769 21.320 501 HD13 ILE 60 3HD1 ILE 60 4.575 15.483 19.580 502 H GLN 61 H GLN 61 9.367 12.443 19.469 503 HA GLN 61 HA GLN 61 9.579 11.548 16.829 504 HB2 GLN 61 2HB GLN 61 11.045 13.232 17.847 505 HB3 GLN 61 1HB GLN 61 11.719 12.035 18.944 506 HG2 GLN 61 2HG GLN 61 12.825 10.899 17.128 507 HG3 GLN 61 1HG GLN 61 11.991 11.897 15.934 508 HE21 GLN 61 1HE2 GLN 61 12.693 14.030 15.595 509 HE22 GLN 61 2HE2 GLN 61 14.187 14.627 16.222 510 H ASP 62 H ASP 62 10.406 9.954 19.916 511 HA ASP 62 HA ASP 62 11.563 7.589 18.830 512 HB2 ASP 62 2HB ASP 62 11.998 8.266 21.150 513 HB3 ASP 62 1HB ASP 62 10.294 8.116 21.558 514 H MET 63 H MET 63 8.255 8.368 19.942 515 HA MET 63 HA MET 63 7.081 5.821 19.679 516 HB2 MET 63 2HB MET 63 5.742 8.542 19.375 517 HB3 MET 63 1HB MET 63 4.874 7.020 19.517 518 HG2 MET 63 2HG MET 63 5.904 6.730 21.778 519 HG3 MET 63 1HG MET 63 6.574 8.354 21.621 520 HE1 MET 63 1HE MET 63 4.892 10.523 21.070 521 HE2 MET 63 2HE MET 63 3.141 10.414 21.226 522 HE3 MET 63 3HE MET 63 3.951 9.620 19.876 523 H VAL 64 H VAL 64 6.939 8.601 17.443 524 HA VAL 64 HA VAL 64 5.546 7.208 15.418 525 HB VAL 64 HB VAL 64 5.901 9.132 13.962 526 HG11 VAL 64 1HG1 VAL 64 5.261 9.995 16.810 527 HG12 VAL 64 2HG1 VAL 64 4.132 9.257 15.671 528 HG13 VAL 64 3HG1 VAL 64 4.803 10.854 15.334 529 HG21 VAL 64 1HG2 VAL 64 7.260 11.061 14.598 530 HG22 VAL 64 2HG2 VAL 64 8.263 9.610 14.524 531 HG23 VAL 64 3HG2 VAL 64 7.761 10.252 16.088 532 H ALA 65 H ALA 65 9.033 7.685 15.972 533 HA ALA 65 HA ALA 65 9.963 6.666 13.503 534 HB1 ALA 65 1HB ALA 65 12.078 6.184 14.666 535 HB2 ALA 65 2HB ALA 65 11.288 6.428 16.229 536 HB3 ALA 65 3HB ALA 65 11.465 7.779 15.105 537 H GLY 66 H GLY 66 8.926 5.057 16.504 538 HA2 GLY 66 2HA GLY 66 9.470 2.365 15.737 539 HA3 GLY 66 1HA GLY 66 8.306 2.882 16.950 540 H TYR 67 H TYR 67 6.648 4.482 15.307 541 HA TYR 67 HA TYR 67 4.912 2.532 14.174 542 HB2 TYR 67 2HB TYR 67 4.864 5.576 14.090 543 HB3 TYR 67 1HB TYR 67 3.599 4.586 13.370 544 HD1 TYR 67 HD1 TYR 67 4.106 6.562 16.099 545 HD2 TYR 67 HD2 TYR 67 2.924 2.546 15.255 546 HE1 TYR 67 HE1 TYR 67 2.892 6.475 18.229 547 HE2 TYR 67 HE2 TYR 67 1.708 2.458 17.378 548 HH TYR 67 HH TYR 67 1.502 3.491 19.432 549 H ILE 68 H ILE 68 7.264 4.786 12.766 550 HA ILE 68 HA ILE 68 6.547 4.340 10.026 551 HB ILE 68 HB ILE 68 9.196 5.423 11.124 552 HG12 ILE 68 2HG1 ILE 68 6.821 6.981 10.016 553 HG13 ILE 68 1HG1 ILE 68 7.186 6.827 11.720 554 HG21 ILE 68 1HG2 ILE 68 8.046 5.550 8.304 555 HG22 ILE 68 2HG2 ILE 68 9.429 4.582 8.815 556 HG23 ILE 68 3HG2 ILE 68 9.533 6.342 8.834 557 HD11 ILE 68 1HD1 ILE 68 7.904 8.971 10.852 558 HD12 ILE 68 2HD1 ILE 68 8.937 8.173 9.666 559 HD13 ILE 68 3HD1 ILE 68 9.288 8.022 11.392 560 H LYS 69 H LYS 69 8.968 3.000 12.257 561 HA LYS 69 HA LYS 69 10.380 1.309 10.521 562 HB2 LYS 69 2HB LYS 69 11.071 1.850 12.841 563 HB3 LYS 69 1HB LYS 69 9.725 0.910 13.471 564 HG2 LYS 69 2HG LYS 69 10.731 -1.150 12.485 565 HG3 LYS 69 1HG LYS 69 12.085 -0.182 11.895 566 HD2 LYS 69 2HD LYS 69 12.676 -1.358 13.977 567 HD3 LYS 69 1HD LYS 69 12.711 0.393 14.206 568 HE2 LYS 69 2HE LYS 69 11.671 -0.737 16.128 569 HE3 LYS 69 1HE LYS 69 10.496 0.292 15.309 570 HZ1 LYS 69 1HZ LYS 69 10.728 -2.661 15.025 571 HZ2 LYS 69 2HZ LYS 69 9.601 -1.693 14.225 572 HZ3 LYS 69 3HZ LYS 69 9.548 -1.839 15.907 573 H GLN 70 H GLN 70 7.441 0.723 12.441 574 HA GLN 70 HA GLN 70 6.998 -1.978 11.749 575 HB2 GLN 70 2HB GLN 70 5.108 0.197 12.701 576 HB3 GLN 70 1HB GLN 70 4.565 -1.452 12.402 577 HG2 GLN 70 2HG GLN 70 6.136 -2.285 14.108 578 HG3 GLN 70 1HG GLN 70 6.680 -0.635 14.415 579 HE21 GLN 70 1HE2 GLN 70 3.292 -1.475 13.793 580 HE22 GLN 70 2HE2 GLN 70 2.740 -1.130 15.390 581 H THR 71 H THR 71 5.653 1.044 10.385 582 HA THR 71 HA THR 71 3.939 -0.260 8.562 583 HB THR 71 HB THR 71 3.672 2.136 9.396 584 HG1 THR 71 HG1 THR 71 3.392 1.365 6.687 585 HG21 THR 71 1HG2 THR 71 4.654 3.955 8.084 586 HG22 THR 71 2HG2 THR 71 5.592 2.799 7.137 587 HG23 THR 71 3HG2 THR 71 5.929 3.010 8.854 588 H LEU 72 H LEU 72 7.300 0.817 8.313 589 HA LEU 72 HA LEU 72 7.642 0.472 5.514 590 HB2 LEU 72 2HB LEU 72 9.610 0.441 7.827 591 HB3 LEU 72 1HB LEU 72 10.137 0.207 6.168 592 HG LEU 72 HG LEU 72 8.694 2.701 7.151 593 HD11 LEU 72 1HD1 LEU 72 10.872 3.815 7.057 594 HD12 LEU 72 2HD1 LEU 72 11.658 2.285 6.652 595 HD13 LEU 72 3HD1 LEU 72 10.887 2.496 8.227 596 HD21 LEU 72 1HD2 LEU 72 8.342 2.310 4.777 597 HD22 LEU 72 2HD2 LEU 72 10.070 2.061 4.517 598 HD23 LEU 72 3HD2 LEU 72 9.468 3.650 4.987 599 H ASP 73 H ASP 73 8.173 -1.666 8.298 600 HA ASP 73 HA ASP 73 9.228 -3.909 6.969 601 HB2 ASP 73 2HB ASP 73 9.354 -3.735 9.406 602 HB3 ASP 73 1HB ASP 73 7.601 -3.686 9.546 603 H ASN 74 H ASN 74 5.871 -3.106 7.855 604 HA ASN 74 HA ASN 74 4.672 -5.453 6.828 605 HB2 ASN 74 2HB ASN 74 3.381 -2.733 7.299 606 HB3 ASN 74 1HB ASN 74 2.533 -4.270 7.146 607 HD21 ASN 74 1HD2 ASN 74 4.589 -5.696 8.826 608 HD22 ASN 74 2HD2 ASN 74 4.253 -5.182 10.436 609 H GLU 75 H GLU 75 5.102 -2.193 5.493 610 HA GLU 75 HA GLU 75 3.680 -2.604 3.059 611 HB2 GLU 75 2HB GLU 75 3.976 -0.419 4.156 612 HB3 GLU 75 1HB GLU 75 5.706 -0.483 3.857 613 HG2 GLU 75 2HG GLU 75 5.399 -0.190 1.504 614 HG3 GLU 75 1HG GLU 75 3.658 -0.456 1.630 615 H GLN 76 H GLN 76 6.974 -3.155 4.043 616 HA GLN 76 HA GLN 76 8.181 -3.620 1.506 617 HB2 GLN 76 2HB GLN 76 9.564 -3.350 3.490 618 HB3 GLN 76 1HB GLN 76 8.770 -4.693 4.296 619 HG2 GLN 76 2HG GLN 76 9.761 -6.220 2.545 620 HG3 GLN 76 1HG GLN 76 10.676 -4.837 1.946 621 HE21 GLN 76 1HE2 GLN 76 10.002 -5.484 5.379 622 HE22 GLN 76 2HE2 GLN 76 11.644 -5.802 5.808 623 H LEU 77 H LEU 77 6.612 -5.762 3.896 624 HA LEU 77 HA LEU 77 6.866 -8.166 2.401 625 HB2 LEU 77 2HB LEU 77 4.867 -7.501 4.591 626 HB3 LEU 77 1HB LEU 77 5.263 -9.114 4.022 627 HG LEU 77 HG LEU 77 7.120 -7.230 5.522 628 HD11 LEU 77 1HD1 LEU 77 5.416 -8.210 6.959 629 HD12 LEU 77 2HD1 LEU 77 7.008 -8.858 7.341 630 HD13 LEU 77 3HD1 LEU 77 5.858 -9.833 6.419 631 HD21 LEU 77 1HD2 LEU 77 8.432 -8.504 3.922 632 HD22 LEU 77 2HD2 LEU 77 7.711 -10.016 4.481 633 HD23 LEU 77 3HD2 LEU 77 8.748 -9.077 5.559 634 H LEU 78 H LEU 78 4.377 -5.649 2.540 635 HA LEU 78 HA LEU 78 2.394 -6.814 0.896 636 HB2 LEU 78 2HB LEU 78 3.193 -3.894 1.239 637 HB3 LEU 78 1HB LEU 78 1.776 -4.406 0.336 638 HG LEU 78 HG LEU 78 2.181 -4.918 3.305 639 HD11 LEU 78 1HD1 LEU 78 0.475 -2.800 1.963 640 HD12 LEU 78 2HD1 LEU 78 2.006 -2.509 2.788 641 HD13 LEU 78 3HD1 LEU 78 0.622 -3.102 3.696 642 HD21 LEU 78 1HD2 LEU 78 0.708 -6.571 2.241 643 HD22 LEU 78 2HD2 LEU 78 -0.274 -5.278 1.545 644 HD23 LEU 78 3HD2 LEU 78 -0.215 -5.499 3.295 645 H LYS 79 H LYS 79 5.180 -4.731 0.143 646 HA LYS 79 HA LYS 79 4.824 -4.310 -2.560 647 HB2 LYS 79 2HB LYS 79 6.485 -3.105 -1.242 648 HB3 LYS 79 1HB LYS 79 7.394 -4.585 -0.954 649 HG2 LYS 79 2HG LYS 79 8.005 -4.713 -3.317 650 HG3 LYS 79 1HG LYS 79 7.025 -3.288 -3.675 651 HD2 LYS 79 2HD LYS 79 8.490 -1.882 -2.307 652 HD3 LYS 79 1HD LYS 79 9.409 -3.298 -1.782 653 HE2 LYS 79 2HE LYS 79 10.602 -2.034 -3.530 654 HE3 LYS 79 1HE LYS 79 10.198 -3.664 -4.073 655 HZ1 LYS 79 1HZ LYS 79 8.361 -2.782 -5.327 656 HZ2 LYS 79 2HZ LYS 79 9.772 -1.956 -5.760 657 HZ3 LYS 79 3HZ LYS 79 8.642 -1.222 -4.739 658 H GLY 80 H GLY 80 6.700 -6.938 -1.003 659 HA2 GLY 80 2HA GLY 80 7.411 -8.293 -3.417 660 HA3 GLY 80 1HA GLY 80 7.531 -8.936 -1.790 661 H LEU 81 H LEU 81 4.852 -8.890 -1.001 662 HA LEU 81 HA LEU 81 3.869 -11.343 -1.965 663 HB2 LEU 81 2HB LEU 81 3.430 -10.174 0.266 664 HB3 LEU 81 1HB LEU 81 2.265 -9.163 -0.555 665 HG LEU 81 HG LEU 81 1.981 -12.201 -0.369 666 HD11 LEU 81 1HD1 LEU 81 0.433 -11.837 1.501 667 HD12 LEU 81 2HD1 LEU 81 0.794 -10.108 1.487 668 HD13 LEU 81 3HD1 LEU 81 2.056 -11.275 1.892 669 HD21 LEU 81 1HD2 LEU 81 -0.092 -10.060 -0.995 670 HD22 LEU 81 2HD2 LEU 81 -0.412 -11.790 -0.827 671 HD23 LEU 81 3HD2 LEU 81 0.601 -11.206 -2.144 672 H LEU 82 H LEU 82 2.571 -8.067 -2.425 673 HA LEU 82 HA LEU 82 0.615 -8.683 -4.333 674 HB2 LEU 82 2HB LEU 82 1.991 -6.004 -3.873 675 HB3 LEU 82 1HB LEU 82 0.485 -6.242 -4.747 676 HG LEU 82 HG LEU 82 0.928 -6.649 -1.760 677 HD11 LEU 82 1HD1 LEU 82 -0.626 -4.765 -1.485 678 HD12 LEU 82 2HD1 LEU 82 -0.708 -4.563 -3.237 679 HD13 LEU 82 3HD1 LEU 82 0.815 -4.298 -2.385 680 HD21 LEU 82 1HD2 LEU 82 -1.617 -7.086 -3.349 681 HD22 LEU 82 2HD2 LEU 82 -1.480 -7.109 -1.589 682 HD23 LEU 82 3HD2 LEU 82 -0.649 -8.329 -2.550 683 H GLN 83 H GLN 83 4.082 -7.924 -4.678 684 HA GLN 83 HA GLN 83 4.136 -7.397 -7.448 685 HB2 GLN 83 2HB GLN 83 6.084 -7.007 -5.933 686 HB3 GLN 83 1HB GLN 83 6.323 -8.746 -5.807 687 HG2 GLN 83 2HG GLN 83 6.724 -8.823 -8.272 688 HG3 GLN 83 1HG GLN 83 6.578 -7.069 -8.324 689 HE21 GLN 83 1HE2 GLN 83 8.212 -8.917 -5.777 690 HE22 GLN 83 2HE2 GLN 83 9.800 -8.346 -6.147 691 H GLN 84 H GLN 84 4.443 -10.443 -5.657 692 HA GLN 84 HA GLN 84 4.825 -12.183 -7.852 693 HB2 GLN 84 2HB GLN 84 3.550 -12.759 -5.144 694 HB3 GLN 84 1HB GLN 84 4.112 -13.981 -6.285 695 HG2 GLN 84 2HG GLN 84 6.418 -13.201 -6.032 696 HG3 GLN 84 1HG GLN 84 5.885 -11.906 -4.961 697 HE21 GLN 84 1HE2 GLN 84 4.628 -15.219 -4.844 698 HE22 GLN 84 2HE2 GLN 84 5.317 -15.593 -3.309 699 H ARG 85 H ARG 85 1.908 -11.229 -6.054 700 HA ARG 85 HA ARG 85 0.010 -12.760 -7.407 701 HB2 ARG 85 2HB ARG 85 -0.302 -10.075 -6.004 702 HB3 ARG 85 1HB ARG 85 -1.657 -11.064 -6.532 703 HG2 ARG 85 2HG ARG 85 0.426 -12.068 -4.576 704 HG3 ARG 85 1HG ARG 85 -1.020 -11.199 -4.068 705 HD2 ARG 85 2HD ARG 85 -1.537 -13.480 -3.797 706 HD3 ARG 85 1HD ARG 85 -2.372 -13.003 -5.269 707 HE ARG 85 HE ARG 85 -0.160 -14.079 -6.311 708 HH11 ARG 85 1HH1 ARG 85 -2.179 -15.304 -3.677 709 HH12 ARG 85 2HH1 ARG 85 -1.823 -16.963 -4.025 710 HH21 ARG 85 1HH2 ARG 85 0.203 -16.305 -6.779 711 HH22 ARG 85 2HH2 ARG 85 -0.491 -17.525 -5.759 712 H LEU 86 H LEU 86 0.889 -9.337 -7.977 713 HA LEU 86 HA LEU 86 -0.807 -8.839 -10.150 714 HB2 LEU 86 2HB LEU 86 1.794 -7.486 -9.340 715 HB3 LEU 86 1HB LEU 86 0.763 -6.888 -10.634 716 HG LEU 86 HG LEU 86 -0.025 -7.100 -7.703 717 HD11 LEU 86 1HD1 LEU 86 0.021 -4.663 -7.701 718 HD12 LEU 86 2HD1 LEU 86 0.558 -4.647 -9.384 719 HD13 LEU 86 3HD1 LEU 86 1.601 -5.318 -8.126 720 HD21 LEU 86 1HD2 LEU 86 -1.604 -6.056 -10.073 721 HD22 LEU 86 2HD2 LEU 86 -2.062 -5.865 -8.382 722 HD23 LEU 86 3HD2 LEU 86 -1.975 -7.475 -9.086 723 H ASP 87 H ASP 87 2.496 -10.075 -10.039 724 HA ASP 87 HA ASP 87 3.169 -9.976 -12.771 725 HB2 ASP 87 2HB ASP 87 4.833 -10.445 -10.996 726 HB3 ASP 87 1HB ASP 87 4.024 -11.956 -10.602 727 H GLU 88 H GLU 88 1.547 -12.440 -10.807 728 HA GLU 88 HA GLU 88 1.134 -14.392 -12.849 729 HB2 GLU 88 2HB GLU 88 -0.250 -13.983 -10.159 730 HB3 GLU 88 1HB GLU 88 -0.440 -15.417 -11.168 731 HG2 GLU 88 2HG GLU 88 1.867 -16.028 -10.893 732 HG3 GLU 88 1HG GLU 88 2.249 -14.479 -10.143 733 H LEU 89 H LEU 89 -1.019 -11.927 -11.376 734 HA LEU 89 HA LEU 89 -3.383 -12.515 -12.755 735 HB2 LEU 89 2HB LEU 89 -2.501 -9.784 -11.701 736 HB3 LEU 89 1HB LEU 89 -4.143 -10.224 -12.143 737 HG LEU 89 HG LEU 89 -2.558 -11.371 -9.818 738 HD11 LEU 89 1HD1 LEU 89 -3.274 -9.072 -9.422 739 HD12 LEU 89 2HD1 LEU 89 -4.146 -10.195 -8.383 740 HD13 LEU 89 3HD1 LEU 89 -4.944 -9.506 -9.800 741 HD21 LEU 89 1HD2 LEU 89 -5.409 -11.993 -10.643 742 HD22 LEU 89 2HD2 LEU 89 -4.614 -12.538 -9.163 743 HD23 LEU 89 3HD2 LEU 89 -4.027 -13.091 -10.728 744 H SER 90 H SER 90 -0.746 -10.271 -13.519 745 HA SER 90 HA SER 90 -1.791 -9.059 -15.832 746 HB2 SER 90 2HB SER 90 0.162 -8.182 -14.569 747 HB3 SER 90 1HB SER 90 1.130 -9.562 -15.084 748 HG SER 90 HG SER 90 1.545 -8.488 -16.831 749 H SER 91 H SER 91 0.335 -11.887 -15.411 750 HA SER 91 HA SER 91 0.764 -12.580 -18.092 751 HB2 SER 91 2HB SER 91 2.042 -13.508 -16.167 752 HB3 SER 91 1HB SER 91 0.622 -14.419 -15.661 753 HG SER 91 HG SER 91 1.952 -14.684 -18.156 754 H LEU 92 H LEU 92 -1.863 -13.373 -15.880 755 HA LEU 92 HA LEU 92 -3.131 -15.343 -17.523 756 HB2 LEU 92 2HB LEU 92 -4.147 -13.809 -15.096 757 HB3 LEU 92 1HB LEU 92 -4.996 -15.154 -15.844 758 HG LEU 92 HG LEU 92 -2.249 -15.335 -14.551 759 HD11 LEU 92 1HD1 LEU 92 -4.912 -16.308 -13.498 760 HD12 LEU 92 2HD1 LEU 92 -3.973 -14.945 -12.881 761 HD13 LEU 92 3HD1 LEU 92 -3.332 -16.582 -12.755 762 HD21 LEU 92 1HD2 LEU 92 -3.990 -17.550 -15.678 763 HD22 LEU 92 2HD2 LEU 92 -2.481 -17.771 -14.790 764 HD23 LEU 92 3HD2 LEU 92 -2.466 -16.965 -16.354 765 H ILE 93 H ILE 93 -3.758 -11.884 -16.877 766 HA ILE 93 HA ILE 93 -6.125 -11.586 -18.384 767 HB ILE 93 HB ILE 93 -3.958 -9.506 -17.795 768 HG12 ILE 93 2HG1 ILE 93 -6.630 -9.946 -16.377 769 HG13 ILE 93 1HG1 ILE 93 -5.087 -10.532 -15.775 770 HG21 ILE 93 1HG2 ILE 93 -6.799 -9.041 -18.782 771 HG22 ILE 93 2HG2 ILE 93 -5.319 -8.753 -19.700 772 HG23 ILE 93 3HG2 ILE 93 -5.675 -7.778 -18.274 773 HD11 ILE 93 1HD1 ILE 93 -4.286 -8.229 -15.574 774 HD12 ILE 93 2HD1 ILE 93 -5.751 -8.509 -14.635 775 HD13 ILE 93 3HD1 ILE 93 -5.842 -7.637 -16.164 776 H GLY 94 H GLY 94 -2.697 -11.418 -19.284 777 HA2 GLY 94 2HA GLY 94 -2.932 -10.542 -21.950 778 HA3 GLY 94 1HA GLY 94 -1.599 -11.472 -21.289 779 H GLN 95 H GLN 95 -3.641 -13.643 -20.564 780 HA GLN 95 HA GLN 95 -3.355 -15.171 -23.024 781 HB2 GLN 95 2HB GLN 95 -4.454 -15.939 -20.281 782 HB3 GLN 95 1HB GLN 95 -4.248 -17.063 -21.620 783 HG2 GLN 95 2HG GLN 95 -2.014 -15.529 -20.267 784 HG3 GLN 95 1HG GLN 95 -2.421 -17.217 -19.972 785 HE21 GLN 95 1HE2 GLN 95 -1.974 -18.751 -21.585 786 HE22 GLN 95 2HE2 GLN 95 -0.858 -18.440 -22.865 787 H VAL 96 H VAL 96 -6.109 -14.329 -20.862 788 HA VAL 96 HA VAL 96 -8.038 -15.460 -22.698 789 HB VAL 96 HB VAL 96 -9.779 -14.620 -21.068 790 HG11 VAL 96 1HG1 VAL 96 -8.879 -16.895 -20.888 791 HG12 VAL 96 2HG1 VAL 96 -9.242 -16.237 -19.293 792 HG13 VAL 96 3HG1 VAL 96 -7.568 -16.319 -19.853 793 HG21 VAL 96 1HG2 VAL 96 -8.576 -12.660 -20.170 794 HG22 VAL 96 2HG2 VAL 96 -7.387 -13.715 -19.405 795 HG23 VAL 96 3HG2 VAL 96 -9.070 -13.744 -18.868 796 H LEU 97 H LEU 97 -7.038 -12.152 -21.824 797 HA LEU 97 HA LEU 97 -9.151 -10.885 -23.357 798 HB2 LEU 97 2HB LEU 97 -7.857 -9.986 -21.241 799 HB3 LEU 97 1HB LEU 97 -6.632 -9.492 -22.388 800 HG LEU 97 HG LEU 97 -9.509 -8.487 -22.277 801 HD11 LEU 97 1HD1 LEU 97 -8.146 -7.630 -20.460 802 HD12 LEU 97 2HD1 LEU 97 -8.530 -6.346 -21.601 803 HD13 LEU 97 3HD1 LEU 97 -6.919 -7.071 -21.599 804 HD21 LEU 97 1HD2 LEU 97 -7.318 -7.593 -24.181 805 HD22 LEU 97 2HD2 LEU 97 -8.898 -6.827 -23.989 806 HD23 LEU 97 3HD2 LEU 97 -8.787 -8.471 -24.612 807 H PHE 98 H PHE 98 -9.060 -11.064 -25.534 808 HA PHE 98 HA PHE 98 -6.537 -11.083 -27.005 809 HB2 PHE 98 2HB PHE 98 -9.405 -11.159 -28.051 810 HB3 PHE 98 1HB PHE 98 -7.950 -11.461 -28.996 811 HD1 PHE 98 HD1 PHE 98 -6.460 -13.452 -28.267 812 HD2 PHE 98 HD2 PHE 98 -10.510 -12.965 -26.984 813 HE1 PHE 98 HE1 PHE 98 -6.570 -15.840 -27.696 814 HE2 PHE 98 HE2 PHE 98 -10.612 -15.351 -26.412 815 HZ PHE 98 HZ PHE 98 -8.642 -16.791 -26.765 816 H GLN 99 H GLN 99 -5.721 -9.086 -26.594 817 HA GLN 99 HA GLN 99 -7.222 -6.654 -26.681 818 HB2 GLN 99 2HB GLN 99 -4.825 -5.606 -26.453 819 HB3 GLN 99 1HB GLN 99 -5.481 -6.544 -25.122 820 HG2 GLN 99 2HG GLN 99 -3.172 -7.135 -25.369 821 HG3 GLN 99 1HG GLN 99 -4.145 -8.508 -25.890 822 HE21 GLN 99 1HE2 GLN 99 -2.542 -9.425 -27.149 823 HE22 GLN 99 2HE2 GLN 99 -1.947 -8.706 -28.601 824 H GLY 100 H GLY 100 -5.948 -8.517 -29.188 825 HA2 GLY 100 2HA GLY 100 -6.600 -6.504 -31.135 826 HA3 GLY 100 1HA GLY 100 -4.870 -6.821 -31.054 827 HA PRO 101 HA PRO 101 -5.507 -10.391 -33.639 828 HB2 PRO 101 2HB PRO 101 -3.312 -11.858 -33.188 829 HB3 PRO 101 1HB PRO 101 -3.143 -10.179 -33.745 830 HG2 PRO 101 2HG PRO 101 -2.885 -11.257 -30.951 831 HG3 PRO 101 1HG PRO 101 -1.821 -10.124 -31.815 832 HD2 PRO 101 2HD PRO 101 -3.797 -9.308 -30.058 833 HD3 PRO 101 1HD PRO 101 -3.175 -8.304 -31.385 834 H SER 102 H SER 102 -5.065 -12.956 -33.517 835 HA SER 102 HA SER 102 -5.661 -15.019 -32.853 836 HB2 SER 102 2HB SER 102 -5.542 -13.829 -30.049 837 HB3 SER 102 1HB SER 102 -5.587 -15.554 -30.425 838 HG SER 102 HG SER 102 -3.450 -14.428 -30.075 839 H ALA 103 H ALA 103 -7.621 -13.236 -33.703 840 HA ALA 103 HA ALA 103 -10.043 -14.572 -32.896 841 HB1 ALA 103 1HB ALA 103 -9.899 -12.877 -31.110 842 HB2 ALA 103 2HB ALA 103 -11.251 -12.523 -32.186 843 HB3 ALA 103 3HB ALA 103 -9.752 -11.596 -32.316 844 H GLY 104 H GLY 104 -11.834 -14.045 -34.346 845 HA2 GLY 104 2HA GLY 104 -11.032 -13.718 -37.056 846 HA3 GLY 104 1HA GLY 104 -12.687 -13.797 -36.480 847 H LEU 105 H LEU 105 -12.417 -11.510 -34.733 848 HA LEU 105 HA LEU 105 -11.772 -9.238 -36.516 849 HB2 LEU 105 2HB LEU 105 -13.620 -7.976 -35.253 850 HB3 LEU 105 1HB LEU 105 -14.132 -9.160 -36.436 851 HG LEU 105 HG LEU 105 -14.506 -10.785 -34.459 852 HD11 LEU 105 1HD1 LEU 105 -13.261 -9.630 -32.713 853 HD12 LEU 105 2HD1 LEU 105 -14.952 -9.814 -32.251 854 HD13 LEU 105 3HD1 LEU 105 -14.354 -8.247 -32.810 855 HD21 LEU 105 1HD2 LEU 105 -16.277 -8.334 -34.665 856 HD22 LEU 105 2HD2 LEU 105 -16.741 -9.890 -33.969 857 HD23 LEU 105 3HD2 LEU 105 -16.353 -9.773 -35.684 858 H VAL 106 H VAL 106 -11.732 -7.176 -34.762 859 HA VAL 106 HA VAL 106 -9.769 -7.963 -32.705 860 HB VAL 106 HB VAL 106 -10.485 -5.157 -33.690 861 HG11 VAL 106 1HG1 VAL 106 -8.468 -4.425 -32.459 862 HG12 VAL 106 2HG1 VAL 106 -8.211 -6.070 -31.875 863 HG13 VAL 106 3HG1 VAL 106 -9.639 -5.166 -31.365 864 HG21 VAL 106 1HG2 VAL 106 -8.308 -5.208 -34.874 865 HG22 VAL 106 2HG2 VAL 106 -9.395 -6.465 -35.468 866 HG23 VAL 106 3HG2 VAL 106 -8.073 -6.888 -34.377 867 HA PRO 107 HA PRO 107 -13.425 -7.308 -29.992 868 HB2 PRO 107 2HB PRO 107 -12.903 -9.234 -28.174 869 HB3 PRO 107 1HB PRO 107 -13.398 -9.663 -29.825 870 HG2 PRO 107 2HG PRO 107 -10.690 -9.784 -28.582 871 HG3 PRO 107 1HG PRO 107 -11.421 -10.849 -29.803 872 HD2 PRO 107 2HD PRO 107 -9.633 -8.677 -30.302 873 HD3 PRO 107 1HD PRO 107 -10.556 -9.595 -31.513 874 H ARG 108 H ARG 108 -10.886 -5.737 -29.891 875 HA ARG 108 HA ARG 108 -10.110 -5.353 -27.168 876 HB2 ARG 108 2HB ARG 108 -8.620 -4.833 -29.085 877 HB3 ARG 108 1HB ARG 108 -9.743 -3.591 -29.626 878 HG2 ARG 108 2HG ARG 108 -9.322 -2.420 -27.396 879 HG3 ARG 108 1HG ARG 108 -8.013 -3.577 -27.139 880 HD2 ARG 108 2HD ARG 108 -7.093 -1.527 -28.044 881 HD3 ARG 108 1HD ARG 108 -6.962 -2.791 -29.274 882 HE ARG 108 HE ARG 108 -9.366 -1.477 -29.735 883 HH11 ARG 108 1HH1 ARG 108 -5.956 -0.588 -29.801 884 HH12 ARG 108 2HH1 ARG 108 -6.188 0.644 -30.997 885 HH21 ARG 108 1HH2 ARG 108 -9.652 0.163 -31.259 886 HH22 ARG 108 2HH2 ARG 108 -8.284 1.071 -31.825 887 H GLY 109 H GLY 109 -12.071 -5.018 -26.051 888 HA2 GLY 109 2HA GLY 109 -13.646 -2.594 -26.584 889 HA3 GLY 109 1HA GLY 109 -13.990 -3.838 -25.386 890 H SER 110 H SER 110 -13.850 -0.922 -25.083 891 HA SER 110 HA SER 110 -11.529 -0.387 -23.413 892 HB2 SER 110 2HB SER 110 -14.016 1.308 -23.956 893 HB3 SER 110 1HB SER 110 -12.530 1.863 -23.182 894 HG SER 110 HG SER 110 -12.891 1.013 -25.862 895 H GLY 111 H GLY 111 -12.213 -2.388 -22.172 896 HA2 GLY 111 2HA GLY 111 -12.941 -2.055 -19.601 897 HA3 GLY 111 1HA GLY 111 -14.503 -2.244 -20.399 898 H GLY 112 H GLY 112 -14.319 -4.138 -22.186 899 HA2 GLY 112 2HA GLY 112 -12.779 -6.456 -21.427 900 HA3 GLY 112 1HA GLY 112 -14.456 -6.549 -20.893 901 H ILE 113 H ILE 113 -14.787 -8.378 -22.264 902 HA ILE 113 HA ILE 113 -14.818 -7.843 -25.179 903 HB ILE 113 HB ILE 113 -14.480 -10.594 -23.878 904 HG12 ILE 113 2HG1 ILE 113 -12.142 -10.477 -25.064 905 HG13 ILE 113 1HG1 ILE 113 -12.412 -8.743 -25.145 906 HG21 ILE 113 1HG2 ILE 113 -15.666 -10.722 -26.029 907 HG22 ILE 113 2HG2 ILE 113 -14.056 -11.427 -26.169 908 HG23 ILE 113 3HG2 ILE 113 -14.372 -9.816 -26.818 909 HD11 ILE 113 1HD1 ILE 113 -12.281 -10.379 -22.612 910 HD12 ILE 113 2HD1 ILE 113 -12.472 -8.629 -22.710 911 HD13 ILE 113 3HD1 ILE 113 -10.984 -9.386 -23.274 912 H GLU 114 H GLU 114 -16.374 -10.667 -23.657 913 HA GLU 114 HA GLU 114 -18.998 -9.642 -23.364 914 HB2 GLU 114 2HB GLU 114 -20.104 -10.835 -25.280 915 HB3 GLU 114 1HB GLU 114 -19.066 -9.512 -25.787 916 HG2 GLU 114 2HG GLU 114 -18.666 -11.202 -27.359 917 HG3 GLU 114 1HG GLU 114 -17.277 -11.277 -26.273 918 H GLY 115 H GLY 115 -20.585 -11.475 -22.895 919 HA2 GLY 115 2HA GLY 115 -21.171 -13.454 -21.887 920 HA3 GLY 115 1HA GLY 115 -19.804 -14.186 -22.715 921 H SER 428 H SER 428 -19.136 -15.489 -21.012 922 HA SER 428 HA SER 428 -18.713 -14.435 -18.339 923 HB2 SER 428 2HB SER 428 -19.601 -16.749 -18.742 924 HB3 SER 428 1HB SER 428 -18.046 -17.207 -19.432 925 HG SER 428 HG SER 428 -18.433 -16.206 -16.793 926 H ILE 429 H ILE 429 -16.796 -14.901 -21.219 927 HA ILE 429 HA ILE 429 -14.227 -14.899 -19.957 928 HB ILE 429 HB ILE 429 -14.631 -15.766 -22.286 929 HG12 ILE 429 2HG1 ILE 429 -12.281 -15.002 -21.380 930 HG13 ILE 429 1HG1 ILE 429 -12.453 -15.366 -23.089 931 HG21 ILE 429 1HG2 ILE 429 -16.086 -14.051 -23.178 932 HG22 ILE 429 2HG2 ILE 429 -14.668 -14.228 -24.217 933 HG23 ILE 429 3HG2 ILE 429 -14.789 -12.860 -23.106 934 HD11 ILE 429 1HD1 ILE 429 -12.410 -12.605 -21.875 935 HD12 ILE 429 2HD1 ILE 429 -12.526 -12.980 -23.597 936 HD13 ILE 429 3HD1 ILE 429 -11.075 -13.410 -22.695 937 H ASP 430 H ASP 430 -16.464 -12.381 -21.040 938 HA ASP 430 HA ASP 430 -14.875 -10.079 -20.622 939 HB2 ASP 430 2HB ASP 430 -17.076 -9.985 -21.712 940 HB3 ASP 430 1HB ASP 430 -17.870 -10.508 -20.235 941 H GLU 431 H GLU 431 -16.983 -11.943 -18.455 942 HA GLU 431 HA GLU 431 -16.765 -10.382 -16.136 943 HB2 GLU 431 2HB GLU 431 -17.293 -13.366 -16.444 944 HB3 GLU 431 1HB GLU 431 -17.441 -12.501 -14.913 945 HG2 GLU 431 2HG GLU 431 -19.214 -11.088 -15.882 946 HG3 GLU 431 1HG GLU 431 -19.071 -11.957 -17.413 947 H THR 432 H THR 432 -14.897 -13.258 -17.173 948 HA THR 432 HA THR 432 -13.392 -13.401 -14.766 949 HB THR 432 HB THR 432 -13.863 -15.316 -16.420 950 HG1 THR 432 HG1 THR 432 -11.233 -14.962 -15.377 951 HG21 THR 432 1HG2 THR 432 -12.139 -15.797 -18.111 952 HG22 THR 432 2HG2 THR 432 -11.360 -14.249 -17.781 953 HG23 THR 432 3HG2 THR 432 -12.976 -14.291 -18.489 954 H VAL 433 H VAL 433 -12.741 -11.876 -17.933 955 HA VAL 433 HA VAL 433 -10.176 -10.845 -17.400 956 HB VAL 433 HB VAL 433 -12.437 -9.766 -19.148 957 HG11 VAL 433 1HG1 VAL 433 -9.637 -8.583 -18.911 958 HG12 VAL 433 2HG1 VAL 433 -11.143 -7.792 -18.439 959 HG13 VAL 433 3HG1 VAL 433 -10.830 -8.143 -20.140 960 HG21 VAL 433 1HG2 VAL 433 -11.348 -11.830 -19.932 961 HG22 VAL 433 2HG2 VAL 433 -9.768 -11.051 -19.841 962 HG23 VAL 433 3HG2 VAL 433 -10.962 -10.486 -21.010 963 H ALA 434 H ALA 434 -13.406 -9.495 -16.762 964 HA ALA 434 HA ALA 434 -12.657 -7.067 -15.583 965 HB1 ALA 434 1HB ALA 434 -14.965 -6.979 -14.725 966 HB2 ALA 434 2HB ALA 434 -15.176 -8.696 -15.085 967 HB3 ALA 434 3HB ALA 434 -14.940 -7.542 -16.398 968 H ARG 435 H ARG 435 -12.870 -10.324 -14.166 969 HA ARG 435 HA ARG 435 -12.874 -9.503 -11.416 970 HB2 ARG 435 2HB ARG 435 -11.910 -12.182 -12.516 971 HB3 ARG 435 1HB ARG 435 -12.376 -11.841 -10.856 972 HG2 ARG 435 2HG ARG 435 -14.150 -12.073 -13.284 973 HG3 ARG 435 1HG ARG 435 -14.150 -13.080 -11.843 974 HD2 ARG 435 2HD ARG 435 -15.130 -11.298 -10.522 975 HD3 ARG 435 1HD ARG 435 -14.928 -10.141 -11.846 976 HE ARG 435 HE ARG 435 -16.596 -12.489 -12.341 977 HH11 ARG 435 1HH1 ARG 435 -16.520 -9.046 -11.620 978 HH12 ARG 435 2HH1 ARG 435 -18.167 -8.784 -12.118 979 HH21 ARG 435 1HH2 ARG 435 -18.737 -12.146 -13.000 980 HH22 ARG 435 2HH2 ARG 435 -19.418 -10.554 -12.900 981 H TYR 436 H TYR 436 -10.355 -10.903 -13.532 982 HA TYR 436 HA TYR 436 -8.215 -10.506 -11.679 983 HB2 TYR 436 2HB TYR 436 -8.280 -11.244 -14.629 984 HB3 TYR 436 1HB TYR 436 -6.768 -11.074 -13.740 985 HD1 TYR 436 HD1 TYR 436 -5.954 -12.865 -12.382 986 HD2 TYR 436 HD2 TYR 436 -9.976 -13.017 -13.788 987 HE1 TYR 436 HE1 TYR 436 -6.160 -15.173 -11.563 988 HE2 TYR 436 HE2 TYR 436 -10.181 -15.322 -12.983 989 HH TYR 436 HH TYR 436 -7.961 -16.738 -10.875 990 H LYS 437 H LYS 437 -9.651 -8.487 -14.116 991 HA LYS 437 HA LYS 437 -7.523 -6.587 -14.396 992 HB2 LYS 437 2HB LYS 437 -9.280 -6.799 -16.126 993 HB3 LYS 437 1HB LYS 437 -10.511 -6.303 -14.970 994 HG2 LYS 437 2HG LYS 437 -9.444 -4.070 -14.802 995 HG3 LYS 437 1HG LYS 437 -8.223 -4.575 -15.974 996 HD2 LYS 437 2HD LYS 437 -9.978 -4.853 -17.696 997 HD3 LYS 437 1HD LYS 437 -11.216 -4.397 -16.520 998 HE2 LYS 437 2HE LYS 437 -10.654 -2.507 -17.993 999 HE3 LYS 437 1HE LYS 437 -10.213 -2.153 -16.323 1000 HZ1 LYS 437 1HZ LYS 437 -8.476 -1.463 -17.835 1001 HZ2 LYS 437 2HZ LYS 437 -8.356 -3.019 -18.471 1002 HZ3 LYS 437 3HZ LYS 437 -7.912 -2.731 -16.869 1003 H ALA 438 H ALA 438 -10.482 -6.809 -12.418 1004 HA ALA 438 HA ALA 438 -10.280 -4.328 -11.093 1005 HB1 ALA 438 1HB ALA 438 -12.330 -5.692 -11.049 1006 HB2 ALA 438 2HB ALA 438 -11.798 -5.300 -9.411 1007 HB3 ALA 438 3HB ALA 438 -11.513 -6.913 -10.076 1008 H GLN 439 H GLN 439 -9.192 -7.598 -10.101 1009 HA GLN 439 HA GLN 439 -7.984 -6.833 -7.668 1010 HB2 GLN 439 2HB GLN 439 -7.311 -9.241 -9.409 1011 HB3 GLN 439 1HB GLN 439 -6.870 -9.041 -7.717 1012 HG2 GLN 439 2HG GLN 439 -9.656 -9.396 -8.852 1013 HG3 GLN 439 1HG GLN 439 -8.753 -10.538 -7.863 1014 HE21 GLN 439 1HE2 GLN 439 -10.674 -7.633 -7.852 1015 HE22 GLN 439 2HE2 GLN 439 -10.864 -7.525 -6.139 1016 H PHE 440 H PHE 440 -6.678 -7.072 -10.982 1017 HA PHE 440 HA PHE 440 -3.965 -6.635 -10.322 1018 HB2 PHE 440 2HB PHE 440 -4.658 -7.515 -12.549 1019 HB3 PHE 440 1HB PHE 440 -5.360 -5.951 -12.951 1020 HD1 PHE 440 HD1 PHE 440 -2.139 -7.624 -12.057 1021 HD2 PHE 440 HD2 PHE 440 -3.976 -4.234 -13.918 1022 HE1 PHE 440 HE1 PHE 440 0.058 -6.867 -12.858 1023 HE2 PHE 440 HE2 PHE 440 -1.771 -3.488 -14.720 1024 HZ PHE 440 HZ PHE 440 0.245 -4.800 -14.185 1025 H THR 441 H THR 441 -6.392 -4.312 -11.635 1026 HA THR 441 HA THR 441 -4.880 -2.003 -11.665 1027 HB THR 441 HB THR 441 -7.876 -2.198 -11.102 1028 HG1 THR 441 HG1 THR 441 -7.988 -2.835 -13.090 1029 HG21 THR 441 1HG2 THR 441 -7.011 0.096 -10.676 1030 HG22 THR 441 2HG2 THR 441 -8.046 0.049 -12.104 1031 HG23 THR 441 3HG2 THR 441 -6.293 0.117 -12.291 1032 H GLN 442 H GLN 442 -6.767 -3.340 -8.998 1033 HA GLN 442 HA GLN 442 -6.602 -1.012 -7.324 1034 HB2 GLN 442 2HB GLN 442 -7.622 -3.835 -6.855 1035 HB3 GLN 442 1HB GLN 442 -7.728 -2.556 -5.647 1036 HG2 GLN 442 2HG GLN 442 -9.196 -1.249 -7.022 1037 HG3 GLN 442 1HG GLN 442 -8.923 -2.289 -8.417 1038 HE21 GLN 442 1HE2 GLN 442 -9.183 -4.790 -6.960 1039 HE22 GLN 442 2HE2 GLN 442 -10.856 -4.958 -6.572 1040 H LEU 443 H LEU 443 -5.100 -4.280 -7.186 1041 HA LEU 443 HA LEU 443 -3.417 -3.673 -4.947 1042 HB2 LEU 443 2HB LEU 443 -3.416 -5.881 -7.019 1043 HB3 LEU 443 1HB LEU 443 -2.079 -5.731 -5.900 1044 HG LEU 443 HG LEU 443 -3.583 -6.155 -3.986 1045 HD11 LEU 443 1HD1 LEU 443 -5.677 -5.200 -4.861 1046 HD12 LEU 443 2HD1 LEU 443 -5.896 -6.828 -4.226 1047 HD13 LEU 443 3HD1 LEU 443 -5.829 -6.562 -5.971 1048 HD21 LEU 443 1HD2 LEU 443 -3.832 -8.242 -6.175 1049 HD22 LEU 443 2HD2 LEU 443 -4.046 -8.530 -4.445 1050 HD23 LEU 443 3HD2 LEU 443 -2.469 -8.046 -5.069 1051 H ASP 444 H ASP 444 -3.203 -2.962 -8.341 1052 HA ASP 444 HA ASP 444 -0.340 -2.561 -8.495 1053 HB2 ASP 444 2HB ASP 444 -1.593 -3.254 -10.511 1054 HB3 ASP 444 1HB ASP 444 -2.561 -1.786 -10.449 1055 H THR 445 H THR 445 -3.213 -0.423 -8.320 1056 HA THR 445 HA THR 445 -1.722 2.004 -8.344 1057 HB THR 445 HB THR 445 -4.110 2.033 -8.945 1058 HG1 THR 445 HG1 THR 445 -3.585 3.578 -6.599 1059 HG21 THR 445 1HG2 THR 445 -4.706 1.501 -6.013 1060 HG22 THR 445 2HG2 THR 445 -4.987 0.367 -7.336 1061 HG23 THR 445 3HG2 THR 445 -5.891 1.880 -7.268 1062 H MET 446 H MET 446 -2.866 -0.189 -5.793 1063 HA MET 446 HA MET 446 -1.984 1.256 -3.548 1064 HB2 MET 446 2HB MET 446 -3.361 -0.866 -3.434 1065 HB3 MET 446 1HB MET 446 -1.917 -1.785 -3.844 1066 HG2 MET 446 2HG MET 446 -0.807 -0.893 -1.808 1067 HG3 MET 446 1HG MET 446 -2.291 -0.036 -1.398 1068 HE1 MET 446 1HE MET 446 -2.298 -1.072 1.002 1069 HE2 MET 446 2HE MET 446 -0.782 -1.898 0.630 1070 HE3 MET 446 3HE MET 446 -2.130 -2.796 1.323 1071 H MET 447 H MET 447 -0.323 -1.114 -5.632 1072 HA MET 447 HA MET 447 2.121 -1.306 -4.315 1073 HB2 MET 447 2HB MET 447 1.670 -2.930 -5.973 1074 HB3 MET 447 1HB MET 447 1.334 -1.731 -7.209 1075 HG2 MET 447 2HG MET 447 3.610 -1.324 -7.617 1076 HG3 MET 447 1HG MET 447 4.113 -1.963 -6.053 1077 HE1 MET 447 1HE MET 447 2.571 -4.601 -5.781 1078 HE2 MET 447 2HE MET 447 4.311 -4.526 -5.477 1079 HE3 MET 447 3HE MET 447 3.648 -5.774 -6.526 1080 H SER 448 H SER 448 1.255 0.855 -7.020 1081 HA SER 448 HA SER 448 3.813 2.030 -7.299 1082 HB2 SER 448 2HB SER 448 2.419 3.818 -8.587 1083 HB3 SER 448 1HB SER 448 2.420 2.162 -9.195 1084 HG SER 448 HG SER 448 0.370 2.015 -8.792 1085 H LYS 449 H LYS 449 0.896 3.044 -5.488 1086 HA LYS 449 HA LYS 449 2.058 5.465 -4.506 1087 HB2 LYS 449 2HB LYS 449 -0.331 3.879 -3.504 1088 HB3 LYS 449 1HB LYS 449 0.183 5.408 -2.796 1089 HG2 LYS 449 2HG LYS 449 -0.088 6.450 -5.101 1090 HG3 LYS 449 1HG LYS 449 -0.844 4.937 -5.607 1091 HD2 LYS 449 2HD LYS 449 -2.595 6.517 -5.029 1092 HD3 LYS 449 1HD LYS 449 -2.564 5.247 -3.805 1093 HE2 LYS 449 2HE LYS 449 -1.324 6.738 -2.280 1094 HE3 LYS 449 1HE LYS 449 -1.320 8.004 -3.512 1095 HZ1 LYS 449 1HZ LYS 449 -3.761 8.004 -3.415 1096 HZ2 LYS 449 2HZ LYS 449 -3.057 8.414 -1.941 1097 HZ3 LYS 449 3HZ LYS 449 -3.715 6.875 -2.158 1098 H LEU 450 H LEU 450 2.000 2.121 -3.249 1099 HA LEU 450 HA LEU 450 3.040 2.927 -0.687 1100 HB2 LEU 450 2HB LEU 450 2.953 0.682 0.042 1101 HB3 LEU 450 1HB LEU 450 1.524 0.954 -0.918 1102 HG LEU 450 HG LEU 450 2.785 -0.318 -2.815 1103 HD11 LEU 450 1HD1 LEU 450 4.469 -1.276 -0.478 1104 HD12 LEU 450 2HD1 LEU 450 5.039 -0.366 -1.876 1105 HD13 LEU 450 3HD1 LEU 450 4.432 -2.003 -2.089 1106 HD21 LEU 450 1HD2 LEU 450 2.021 -2.495 -1.970 1107 HD22 LEU 450 2HD2 LEU 450 0.844 -1.229 -1.640 1108 HD23 LEU 450 3HD2 LEU 450 1.880 -1.822 -0.339 1109 H ASN 451 H ASN 451 4.371 2.148 -3.721 1110 HA ASN 451 HA ASN 451 7.065 1.572 -2.888 1111 HB2 ASN 451 2HB ASN 451 6.100 0.873 -5.105 1112 HB3 ASN 451 1HB ASN 451 6.039 2.559 -5.603 1113 HD21 ASN 451 1HD2 ASN 451 7.967 3.581 -6.193 1114 HD22 ASN 451 2HD2 ASN 451 9.448 2.720 -6.426 1115 H ASN 452 H ASN 452 5.318 4.388 -4.150 1116 HA ASN 452 HA ASN 452 7.267 6.392 -4.012 1117 HB2 ASN 452 2HB ASN 452 5.087 6.712 -5.132 1118 HB3 ASN 452 1HB ASN 452 4.241 6.553 -3.594 1119 HD21 ASN 452 1HD2 ASN 452 3.290 8.566 -3.623 1120 HD22 ASN 452 2HD2 ASN 452 4.177 10.049 -3.540 1121 H THR 453 H THR 453 4.873 5.350 -1.577 1122 HA THR 453 HA THR 453 5.566 7.199 0.419 1123 HB THR 453 HB THR 453 4.313 5.673 2.005 1124 HG1 THR 453 HG1 THR 453 4.056 3.694 1.417 1125 HG21 THR 453 1HG2 THR 453 3.068 7.380 0.728 1126 HG22 THR 453 2HG2 THR 453 2.096 5.925 0.952 1127 HG23 THR 453 3HG2 THR 453 2.859 6.247 -0.607 1128 H SER 454 H SER 454 6.329 3.653 0.243 1129 HA SER 454 HA SER 454 7.936 3.458 2.475 1130 HB2 SER 454 2HB SER 454 8.908 1.423 1.476 1131 HB3 SER 454 1HB SER 454 7.169 1.489 1.190 1132 HG SER 454 HG SER 454 7.494 1.791 -0.891 1133 H SER 455 H SER 455 8.852 4.589 -0.749 1134 HA SER 455 HA SER 455 11.619 4.797 -0.412 1135 HB2 SER 455 2HB SER 455 10.451 5.119 -2.584 1136 HB3 SER 455 1HB SER 455 9.798 6.653 -2.009 1137 HG SER 455 HG SER 455 12.496 5.964 -2.544 1138 H TYR 456 H TYR 456 9.212 7.513 -0.021 1139 HA TYR 456 HA TYR 456 11.250 9.123 1.250 1140 HB2 TYR 456 2HB TYR 456 9.522 10.867 1.564 1141 HB3 TYR 456 1HB TYR 456 9.665 10.315 -0.092 1142 HD1 TYR 456 HD1 TYR 456 7.547 9.522 2.957 1143 HD2 TYR 456 HD2 TYR 456 7.653 10.152 -1.270 1144 HE1 TYR 456 HE1 TYR 456 5.104 9.362 2.871 1145 HE2 TYR 456 HE2 TYR 456 5.199 9.978 -1.351 1146 HH TYR 456 HH TYR 456 3.380 8.941 0.025 1147 H LEU 457 H LEU 457 9.044 6.827 2.497 1148 HA LEU 457 HA LEU 457 8.873 7.823 5.186 1149 HB2 LEU 457 2HB LEU 457 8.242 5.081 4.025 1150 HB3 LEU 457 1HB LEU 457 8.027 5.476 5.722 1151 HG LEU 457 HG LEU 457 6.496 6.660 3.376 1152 HD11 LEU 457 1HD1 LEU 457 5.579 4.872 5.654 1153 HD12 LEU 457 2HD1 LEU 457 5.785 4.398 3.966 1154 HD13 LEU 457 3HD1 LEU 457 4.543 5.568 4.402 1155 HD21 LEU 457 1HD2 LEU 457 6.873 8.412 5.018 1156 HD22 LEU 457 2HD2 LEU 457 6.280 7.370 6.312 1157 HD23 LEU 457 3HD2 LEU 457 5.185 7.908 5.038 1158 H THR 458 H THR 458 10.908 5.418 3.470 1159 HA THR 458 HA THR 458 12.264 4.535 5.833 1160 HB THR 458 HB THR 458 12.125 3.176 3.684 1161 HG1 THR 458 HG1 THR 458 14.159 2.245 4.058 1162 HG21 THR 458 1HG2 THR 458 12.814 4.863 2.024 1163 HG22 THR 458 2HG2 THR 458 13.906 3.478 1.986 1164 HG23 THR 458 3HG2 THR 458 14.406 4.974 2.776 1165 H GLN 459 H GLN 459 12.915 7.001 3.354 1166 HA GLN 459 HA GLN 459 15.404 7.937 4.346 1167 HB2 GLN 459 2HB GLN 459 13.201 9.492 2.927 1168 HB3 GLN 459 1HB GLN 459 14.865 10.039 3.119 1169 HG2 GLN 459 2HG GLN 459 15.651 8.160 1.746 1170 HG3 GLN 459 1HG GLN 459 13.997 7.582 1.571 1171 HE21 GLN 459 1HE2 GLN 459 12.876 10.308 1.218 1172 HE22 GLN 459 2HE2 GLN 459 13.348 10.797 -0.368 1173 H GLN 460 H GLN 460 12.056 8.824 5.114 1174 HA GLN 460 HA GLN 460 12.599 10.883 6.979 1175 HB2 GLN 460 2HB GLN 460 10.414 10.623 5.813 1176 HB3 GLN 460 1HB GLN 460 10.111 9.141 6.709 1177 HG2 GLN 460 2HG GLN 460 8.841 11.005 7.658 1178 HG3 GLN 460 1HG GLN 460 10.032 10.420 8.819 1179 HE21 GLN 460 1HE2 GLN 460 11.773 11.766 9.378 1180 HE22 GLN 460 2HE2 GLN 460 11.810 13.451 8.987 1181 H PHE 461 H PHE 461 12.314 7.376 7.291 1182 HA PHE 461 HA PHE 461 12.126 7.250 10.127 1183 HB2 PHE 461 2HB PHE 461 11.484 5.308 8.807 1184 HB3 PHE 461 1HB PHE 461 13.083 5.197 8.082 1185 HD1 PHE 461 HD1 PHE 461 11.739 5.410 11.608 1186 HD2 PHE 461 HD2 PHE 461 14.285 3.327 8.859 1187 HE1 PHE 461 HE1 PHE 461 12.450 3.891 13.402 1188 HE2 PHE 461 HE2 PHE 461 14.986 1.812 10.669 1189 HZ PHE 461 HZ PHE 461 14.074 2.098 12.940 1190 H THR 462 H THR 462 14.862 6.825 7.876 1191 HA THR 462 HA THR 462 16.881 6.382 9.755 1192 HB THR 462 HB THR 462 17.139 7.623 6.980 1193 HG1 THR 462 HG1 THR 462 16.239 5.680 6.652 1194 HG21 THR 462 1HG2 THR 462 19.230 7.874 8.288 1195 HG22 THR 462 2HG2 THR 462 19.434 6.697 6.989 1196 HG23 THR 462 3HG2 THR 462 19.215 6.147 8.651 1197 H ALA 463 H ALA 463 15.639 9.417 8.383 1198 HA ALA 463 HA ALA 463 17.624 11.113 9.599 1199 HB1 ALA 463 1HB ALA 463 16.257 12.958 8.737 1200 HB2 ALA 463 2HB ALA 463 14.961 11.826 8.334 1201 HB3 ALA 463 3HB ALA 463 16.514 11.727 7.500 1202 H MET 464 H MET 464 14.137 10.533 10.266 1203 HA MET 464 HA MET 464 13.890 12.309 12.444 1204 HB2 MET 464 2HB MET 464 11.953 11.406 11.185 1205 HB3 MET 464 1HB MET 464 12.249 9.811 11.856 1206 HG2 MET 464 2HG MET 464 11.724 10.663 14.106 1207 HG3 MET 464 1HG MET 464 11.453 12.270 13.433 1208 HE1 MET 464 1HE MET 464 9.371 12.901 11.865 1209 HE2 MET 464 2HE MET 464 8.217 11.711 11.271 1210 HE3 MET 464 3HE MET 464 9.884 11.682 10.696 1211 H ASN 465 H ASN 465 14.913 8.951 12.283 1212 HA ASN 465 HA ASN 465 15.052 8.609 15.157 1213 HB2 ASN 465 2HB ASN 465 14.554 6.706 13.543 1214 HB3 ASN 465 1HB ASN 465 16.236 6.786 13.021 1215 HD21 ASN 465 1HD2 ASN 465 16.434 4.599 13.735 1216 HD22 ASN 465 2HD2 ASN 465 16.627 4.224 15.413 1217 H LYS 466 H LYS 466 17.631 8.465 12.585 1218 HA LYS 466 HA LYS 466 19.395 10.004 14.407 1219 HB2 LYS 466 2HB LYS 466 21.369 8.700 13.607 1220 HB3 LYS 466 1HB LYS 466 20.238 7.756 14.556 1221 HG2 LYS 466 2HG LYS 466 20.173 7.661 11.532 1222 HG3 LYS 466 1HG LYS 466 21.334 6.689 12.430 1223 HD2 LYS 466 2HD LYS 466 18.306 6.542 12.731 1224 HD3 LYS 466 1HD LYS 466 19.303 5.410 11.814 1225 HE2 LYS 466 2HE LYS 466 19.461 5.878 14.816 1226 HE3 LYS 466 1HE LYS 466 18.730 4.488 14.020 1227 HZ1 LYS 466 1HZ LYS 466 20.912 3.908 13.128 1228 HZ2 LYS 466 2HZ LYS 466 20.928 3.966 14.818 1229 HZ3 LYS 466 3HZ LYS 466 21.604 5.229 13.926 1230 H SER 467 H SER 467 18.498 11.865 13.063 1231 HA SER 467 HA SER 467 19.750 12.293 10.503 1232 HB2 SER 467 2HB SER 467 17.682 13.518 11.320 1233 HB3 SER 467 1HB SER 467 18.720 14.443 12.402 1234 HG SER 467 HG SER 467 19.363 14.308 9.672 Start of MODEL 6 1 H1 MET 1 1H MET 1 -1.686 22.159 21.524 2 H2 MET 1 2H MET 1 -0.258 22.151 22.428 3 H3 MET 1 3H MET 1 -1.173 20.738 22.274 4 HA MET 1 HA MET 1 0.142 22.158 20.052 5 HB2 MET 1 2HB MET 1 1.753 20.217 20.056 6 HB3 MET 1 1HB MET 1 1.884 21.268 21.454 7 HG2 MET 1 2HG MET 1 0.700 19.639 22.835 8 HG3 MET 1 1HG MET 1 0.453 18.600 21.429 9 HE1 MET 1 1HE MET 1 1.507 16.478 22.515 10 HE2 MET 1 2HE MET 1 1.676 17.373 24.028 11 HE3 MET 1 3HE MET 1 3.046 16.475 23.375 12 H THR 2 H THR 2 -1.790 22.032 18.840 13 HA THR 2 HA THR 2 -3.342 19.696 18.447 14 HB THR 2 HB THR 2 -4.246 20.964 16.404 15 HG1 THR 2 HG1 THR 2 -3.397 22.884 15.896 16 HG21 THR 2 1HG2 THR 2 -4.239 22.467 19.053 17 HG22 THR 2 2HG2 THR 2 -5.366 21.190 18.590 18 HG23 THR 2 3HG2 THR 2 -5.375 22.725 17.723 19 H SER 3 H SER 3 -0.756 21.163 16.485 20 HA SER 3 HA SER 3 -0.827 19.394 14.288 21 HB2 SER 3 2HB SER 3 1.560 20.977 15.338 22 HB3 SER 3 1HB SER 3 1.374 20.328 13.710 23 HG SER 3 HG SER 3 -0.693 21.956 14.570 24 H THR 4 H THR 4 0.916 19.277 17.351 25 HA THR 4 HA THR 4 2.631 17.094 16.640 26 HB THR 4 HB THR 4 2.023 18.220 19.406 27 HG1 THR 4 HG1 THR 4 4.210 18.975 17.761 28 HG21 THR 4 1HG2 THR 4 4.271 17.412 19.999 29 HG22 THR 4 2HG2 THR 4 4.480 16.747 18.381 30 HG23 THR 4 3HG2 THR 4 3.261 16.066 19.458 31 H VAL 5 H VAL 5 -0.507 17.358 18.359 32 HA VAL 5 HA VAL 5 -0.428 14.623 19.286 33 HB VAL 5 HB VAL 5 -1.720 16.361 20.537 34 HG11 VAL 5 1HG1 VAL 5 -3.743 16.204 18.283 35 HG12 VAL 5 2HG1 VAL 5 -2.751 17.602 18.695 36 HG13 VAL 5 3HG1 VAL 5 -3.978 17.032 19.828 37 HG21 VAL 5 1HG2 VAL 5 -3.360 13.952 19.660 38 HG22 VAL 5 2HG2 VAL 5 -3.640 14.909 21.118 39 HG23 VAL 5 3HG2 VAL 5 -2.151 13.980 20.947 40 H GLU 6 H GLU 6 -1.994 16.307 16.532 41 HA GLU 6 HA GLU 6 -3.372 14.028 15.503 42 HB2 GLU 6 2HB GLU 6 -3.669 15.334 13.446 43 HB3 GLU 6 1HB GLU 6 -3.964 16.351 14.851 44 HG2 GLU 6 2HG GLU 6 -1.677 17.300 14.613 45 HG3 GLU 6 1HG GLU 6 -1.446 16.321 13.169 46 H PHE 7 H PHE 7 -0.129 15.318 15.076 47 HA PHE 7 HA PHE 7 0.943 13.607 13.153 48 HB2 PHE 7 2HB PHE 7 2.158 15.528 13.940 49 HB3 PHE 7 1HB PHE 7 2.114 14.976 15.599 50 HD1 PHE 7 HD1 PHE 7 3.864 14.716 12.380 51 HD2 PHE 7 HD2 PHE 7 3.673 13.240 16.391 52 HE1 PHE 7 HE1 PHE 7 6.136 13.794 12.178 53 HE2 PHE 7 HE2 PHE 7 5.938 12.334 16.158 54 HZ PHE 7 HZ PHE 7 7.173 12.622 14.054 55 H ILE 8 H ILE 8 0.883 13.134 16.741 56 HA ILE 8 HA ILE 8 2.037 10.609 16.985 57 HB ILE 8 HB ILE 8 -0.312 11.695 18.630 58 HG12 ILE 8 2HG1 ILE 8 2.655 11.865 19.315 59 HG13 ILE 8 1HG1 ILE 8 1.730 13.183 18.612 60 HG21 ILE 8 1HG2 ILE 8 -0.064 9.279 18.983 61 HG22 ILE 8 2HG2 ILE 8 0.430 10.154 20.431 62 HG23 ILE 8 3HG2 ILE 8 1.651 9.483 19.348 63 HD11 ILE 8 1HD1 ILE 8 1.974 13.500 20.983 64 HD12 ILE 8 2HD1 ILE 8 1.264 11.920 21.309 65 HD13 ILE 8 3HD1 ILE 8 0.279 13.203 20.599 66 H ASN 9 H ASN 9 -1.378 11.428 16.731 67 HA ASN 9 HA ASN 9 -2.479 8.885 16.976 68 HB2 ASN 9 2HB ASN 9 -3.654 11.382 15.681 69 HB3 ASN 9 1HB ASN 9 -4.592 9.964 16.147 70 HD21 ASN 9 1HD2 ASN 9 -4.757 12.756 17.066 71 HD22 ASN 9 2HD2 ASN 9 -4.583 12.704 18.782 72 H ARG 10 H ARG 10 -1.776 10.778 14.010 73 HA ARG 10 HA ARG 10 -2.957 8.862 12.245 74 HB2 ARG 10 2HB ARG 10 -1.123 11.219 11.686 75 HB3 ARG 10 1HB ARG 10 -1.782 10.187 10.416 76 HG2 ARG 10 2HG ARG 10 -4.085 10.781 11.164 77 HG3 ARG 10 1HG ARG 10 -3.387 11.881 12.357 78 HD2 ARG 10 2HD ARG 10 -3.063 12.072 9.347 79 HD3 ARG 10 1HD ARG 10 -4.087 13.103 10.352 80 HE ARG 10 HE ARG 10 -1.138 13.004 10.600 81 HH11 ARG 10 1HH1 ARG 10 -4.104 14.851 10.531 82 HH12 ARG 10 2HH1 ARG 10 -3.306 16.365 10.787 83 HH21 ARG 10 1HH2 ARG 10 -0.096 14.994 10.957 84 HH22 ARG 10 2HH2 ARG 10 -1.045 16.448 11.030 85 H TRP 11 H TRP 11 0.498 9.537 13.114 86 HA TRP 11 HA TRP 11 1.633 7.556 11.430 87 HB2 TRP 11 2HB TRP 11 2.609 8.791 14.024 88 HB3 TRP 11 1HB TRP 11 3.529 7.511 13.240 89 HD1 TRP 11 HD1 TRP 11 3.384 11.142 13.356 90 HE1 TRP 11 HE1 TRP 11 4.647 12.179 11.390 91 HE3 TRP 11 HE3 TRP 11 3.786 7.028 10.349 92 HZ2 TRP 11 HZ2 TRP 11 5.698 11.405 8.912 93 HZ3 TRP 11 HZ3 TRP 11 4.939 7.263 8.186 94 HH2 TRP 11 HH2 TRP 11 5.874 9.413 7.482 95 H GLN 12 H GLN 12 0.284 7.380 14.668 96 HA GLN 12 HA GLN 12 0.833 4.702 15.309 97 HB2 GLN 12 2HB GLN 12 -0.022 6.356 16.938 98 HB3 GLN 12 1HB GLN 12 -1.558 6.429 16.084 99 HG2 GLN 12 2HG GLN 12 -1.975 4.060 16.653 100 HG3 GLN 12 1HG GLN 12 -0.433 4.005 17.513 101 HE21 GLN 12 1HE2 GLN 12 -1.450 3.489 19.468 102 HE22 GLN 12 2HE2 GLN 12 -2.366 4.644 20.368 103 H ARG 13 H ARG 13 -1.953 6.209 13.628 104 HA ARG 13 HA ARG 13 -3.398 3.833 13.112 105 HB2 ARG 13 2HB ARG 13 -3.433 6.441 11.525 106 HB3 ARG 13 1HB ARG 13 -4.600 5.138 11.347 107 HG2 ARG 13 2HG ARG 13 -4.209 6.897 13.779 108 HG3 ARG 13 1HG ARG 13 -5.565 6.924 12.659 109 HD2 ARG 13 2HD ARG 13 -6.220 4.668 13.391 110 HD3 ARG 13 1HD ARG 13 -4.851 4.617 14.504 111 HE ARG 13 HE ARG 13 -7.373 5.934 14.885 112 HH11 ARG 13 1HH1 ARG 13 -3.983 6.073 15.857 113 HH12 ARG 13 2HH1 ARG 13 -4.328 6.900 17.339 114 HH21 ARG 13 1HH2 ARG 13 -7.788 7.008 16.822 115 HH22 ARG 13 2HH2 ARG 13 -6.480 7.429 17.881 116 H ILE 14 H ILE 14 -0.808 5.459 11.310 117 HA ILE 14 HA ILE 14 -1.010 4.054 8.868 118 HB ILE 14 HB ILE 14 1.347 5.493 10.182 119 HG12 ILE 14 2HG1 ILE 14 -0.445 6.320 7.848 120 HG13 ILE 14 1HG1 ILE 14 -0.614 6.898 9.497 121 HG21 ILE 14 1HG2 ILE 14 2.511 5.470 8.005 122 HG22 ILE 14 2HG2 ILE 14 1.248 4.438 7.335 123 HG23 ILE 14 3HG2 ILE 14 2.281 3.834 8.628 124 HD11 ILE 14 1HD1 ILE 14 1.740 7.403 7.683 125 HD12 ILE 14 2HD1 ILE 14 1.573 7.981 9.343 126 HD13 ILE 14 3HD1 ILE 14 0.460 8.545 8.098 127 H ALA 15 H ALA 15 0.874 3.396 11.830 128 HA ALA 15 HA ALA 15 2.128 0.996 10.924 129 HB1 ALA 15 1HB ALA 15 2.994 2.320 12.797 130 HB2 ALA 15 2HB ALA 15 2.696 0.652 13.290 131 HB3 ALA 15 3HB ALA 15 1.566 1.928 13.754 132 H LEU 16 H LEU 16 -0.846 1.624 12.779 133 HA LEU 16 HA LEU 16 -1.503 -1.061 13.400 134 HB2 LEU 16 2HB LEU 16 -3.274 1.406 13.209 135 HB3 LEU 16 1HB LEU 16 -3.811 -0.134 13.864 136 HG LEU 16 HG LEU 16 -1.604 1.603 15.051 137 HD11 LEU 16 1HD1 LEU 16 -4.431 1.147 16.053 138 HD12 LEU 16 2HD1 LEU 16 -3.812 2.631 15.324 139 HD13 LEU 16 3HD1 LEU 16 -3.173 2.079 16.872 140 HD21 LEU 16 1HD2 LEU 16 -1.663 0.068 16.969 141 HD22 LEU 16 2HD2 LEU 16 -1.179 -0.760 15.492 142 HD23 LEU 16 3HD2 LEU 16 -2.817 -0.964 16.122 143 H LEU 17 H LEU 17 -2.320 1.039 10.679 144 HA LEU 17 HA LEU 17 -4.325 -0.673 9.543 145 HB2 LEU 17 2HB LEU 17 -2.912 1.796 8.443 146 HB3 LEU 17 1HB LEU 17 -4.120 0.905 7.527 147 HG LEU 17 HG LEU 17 -4.626 2.315 10.181 148 HD11 LEU 17 1HD1 LEU 17 -5.951 3.921 8.881 149 HD12 LEU 17 2HD1 LEU 17 -5.491 3.109 7.383 150 HD13 LEU 17 3HD1 LEU 17 -4.265 3.914 8.364 151 HD21 LEU 17 1HD2 LEU 17 -6.054 0.346 9.953 152 HD22 LEU 17 2HD2 LEU 17 -6.581 0.879 8.355 153 HD23 LEU 17 3HD2 LEU 17 -7.003 1.822 9.786 154 H SER 18 H SER 18 -0.906 0.098 8.738 155 HA SER 18 HA SER 18 -0.641 -1.512 6.456 156 HB2 SER 18 2HB SER 18 1.822 -1.538 7.013 157 HB3 SER 18 1HB SER 18 1.107 0.069 7.037 158 HG SER 18 HG SER 18 1.764 0.222 9.000 159 H GLN 19 H GLN 19 -0.127 -2.273 9.879 160 HA GLN 19 HA GLN 19 0.546 -4.984 9.730 161 HB2 GLN 19 2HB GLN 19 0.680 -3.619 11.785 162 HB3 GLN 19 1HB GLN 19 -1.074 -3.489 11.834 163 HG2 GLN 19 2HG GLN 19 -1.136 -6.024 12.086 164 HG3 GLN 19 1HG GLN 19 0.614 -5.960 12.309 165 HE21 GLN 19 1HE2 GLN 19 -1.720 -3.562 13.508 166 HE22 GLN 19 2HE2 GLN 19 -1.459 -3.890 15.184 167 H SER 20 H SER 20 -2.694 -3.476 10.064 168 HA SER 20 HA SER 20 -4.253 -5.788 10.264 169 HB2 SER 20 2HB SER 20 -5.058 -3.086 9.096 170 HB3 SER 20 1HB SER 20 -6.179 -4.355 9.608 171 HG SER 20 HG SER 20 -4.876 -2.491 11.089 172 H LEU 21 H LEU 21 -3.515 -3.831 7.383 173 HA LEU 21 HA LEU 21 -5.010 -5.528 5.627 174 HB2 LEU 21 2HB LEU 21 -4.262 -4.000 3.834 175 HB3 LEU 21 1HB LEU 21 -5.006 -3.182 5.181 176 HG LEU 21 HG LEU 21 -2.609 -2.601 5.962 177 HD11 LEU 21 1HD1 LEU 21 -1.348 -4.134 4.589 178 HD12 LEU 21 2HD1 LEU 21 -0.882 -2.470 4.257 179 HD13 LEU 21 3HD1 LEU 21 -1.923 -3.338 3.124 180 HD21 LEU 21 1HD2 LEU 21 -3.659 -1.337 3.416 181 HD22 LEU 21 2HD2 LEU 21 -2.456 -0.628 4.500 182 HD23 LEU 21 3HD2 LEU 21 -4.098 -0.902 5.070 183 H LEU 22 H LEU 22 -1.709 -5.478 6.729 184 HA LEU 22 HA LEU 22 -0.529 -7.032 4.654 185 HB2 LEU 22 2HB LEU 22 0.839 -5.858 6.347 186 HB3 LEU 22 1HB LEU 22 0.180 -6.881 7.614 187 HG LEU 22 HG LEU 22 1.272 -8.873 6.531 188 HD11 LEU 22 1HD1 LEU 22 2.977 -8.556 4.804 189 HD12 LEU 22 2HD1 LEU 22 2.575 -6.842 4.690 190 HD13 LEU 22 3HD1 LEU 22 1.387 -8.063 4.222 191 HD21 LEU 22 1HD2 LEU 22 2.366 -7.720 8.393 192 HD22 LEU 22 2HD2 LEU 22 3.173 -6.628 7.266 193 HD23 LEU 22 3HD2 LEU 22 3.554 -8.352 7.253 194 H GLU 23 H GLU 23 -2.080 -7.847 7.742 195 HA GLU 23 HA GLU 23 -2.065 -10.649 7.600 196 HB2 GLU 23 2HB GLU 23 -4.181 -8.817 8.810 197 HB3 GLU 23 1HB GLU 23 -4.018 -10.537 9.157 198 HG2 GLU 23 2HG GLU 23 -1.862 -10.172 10.225 199 HG3 GLU 23 1HG GLU 23 -1.873 -8.472 9.758 200 H LEU 24 H LEU 24 -4.444 -8.287 6.418 201 HA LEU 24 HA LEU 24 -6.329 -10.129 5.372 202 HB2 LEU 24 2HB LEU 24 -5.851 -7.209 4.641 203 HB3 LEU 24 1HB LEU 24 -7.302 -8.127 4.251 204 HG LEU 24 HG LEU 24 -6.367 -7.572 7.096 205 HD11 LEU 24 1HD1 LEU 24 -8.163 -5.904 7.249 206 HD12 LEU 24 2HD1 LEU 24 -8.503 -6.109 5.530 207 HD13 LEU 24 3HD1 LEU 24 -6.949 -5.458 6.051 208 HD21 LEU 24 1HD2 LEU 24 -8.618 -8.308 7.760 209 HD22 LEU 24 2HD2 LEU 24 -7.732 -9.588 6.933 210 HD23 LEU 24 3HD2 LEU 24 -8.993 -8.693 6.079 211 H ALA 25 H ALA 25 -3.477 -8.617 3.941 212 HA ALA 25 HA ALA 25 -3.951 -9.299 1.216 213 HB1 ALA 25 1HB ALA 25 -1.299 -8.735 2.601 214 HB2 ALA 25 2HB ALA 25 -2.364 -7.525 1.887 215 HB3 ALA 25 3HB ALA 25 -1.591 -8.724 0.853 216 H GLN 26 H GLN 26 -1.950 -10.836 3.767 217 HA GLN 26 HA GLN 26 -1.155 -13.063 2.141 218 HB2 GLN 26 2HB GLN 26 -0.207 -14.011 4.209 219 HB3 GLN 26 1HB GLN 26 0.242 -12.326 4.012 220 HG2 GLN 26 2HG GLN 26 -1.466 -11.677 5.664 221 HG3 GLN 26 1HG GLN 26 -1.912 -13.366 5.865 222 HE21 GLN 26 1HE2 GLN 26 1.425 -12.225 5.549 223 HE22 GLN 26 2HE2 GLN 26 1.887 -12.607 7.164 224 H ARG 27 H ARG 27 -3.890 -12.439 4.250 225 HA ARG 27 HA ARG 27 -4.885 -15.146 4.343 226 HB2 ARG 27 2HB ARG 27 -6.146 -12.455 5.009 227 HB3 ARG 27 1HB ARG 27 -7.068 -13.949 5.077 228 HG2 ARG 27 2HG ARG 27 -4.625 -13.304 6.755 229 HG3 ARG 27 1HG ARG 27 -6.305 -13.274 7.294 230 HD2 ARG 27 2HD ARG 27 -4.738 -15.714 6.399 231 HD3 ARG 27 1HD ARG 27 -5.243 -15.324 8.046 232 HE ARG 27 HE ARG 27 -7.415 -15.541 6.145 233 HH11 ARG 27 1HH1 ARG 27 -5.467 -17.315 8.482 234 HH12 ARG 27 2HH1 ARG 27 -6.640 -18.580 8.673 235 HH21 ARG 27 1HH2 ARG 27 -8.894 -17.241 6.324 236 HH22 ARG 27 2HH2 ARG 27 -8.588 -18.535 7.442 237 H GLY 28 H GLY 28 -4.972 -12.627 1.993 238 HA2 GLY 28 2HA GLY 28 -5.621 -12.849 -0.235 239 HA3 GLY 28 1HA GLY 28 -6.574 -14.267 0.170 240 H GLU 29 H GLU 29 -7.306 -11.878 2.386 241 HA GLU 29 HA GLU 29 -9.792 -11.129 1.145 242 HB2 GLU 29 2HB GLU 29 -8.470 -10.432 3.780 243 HB3 GLU 29 1HB GLU 29 -9.825 -9.467 3.211 244 HG2 GLU 29 2HG GLU 29 -10.702 -11.090 4.713 245 HG3 GLU 29 1HG GLU 29 -11.200 -11.545 3.090 246 H TRP 30 H TRP 30 -9.097 -10.209 -0.780 247 HA TRP 30 HA TRP 30 -7.347 -7.945 -0.900 248 HB2 TRP 30 2HB TRP 30 -9.248 -8.956 -3.055 249 HB3 TRP 30 1HB TRP 30 -7.870 -7.882 -3.288 250 HD1 TRP 30 HD1 TRP 30 -8.671 -11.311 -3.963 251 HE1 TRP 30 HE1 TRP 30 -6.600 -12.832 -3.997 252 HE3 TRP 30 HE3 TRP 30 -5.325 -8.241 -1.599 253 HZ2 TRP 30 HZ2 TRP 30 -3.926 -12.758 -3.147 254 HZ3 TRP 30 HZ3 TRP 30 -3.029 -9.041 -1.244 255 HH2 TRP 30 HH2 TRP 30 -2.343 -11.260 -2.004 256 H ASP 31 H ASP 31 -10.845 -8.384 -0.814 257 HA ASP 31 HA ASP 31 -11.673 -5.759 -1.445 258 HB2 ASP 31 2HB ASP 31 -12.994 -7.853 0.345 259 HB3 ASP 31 1HB ASP 31 -13.793 -6.384 -0.210 260 H LEU 32 H LEU 32 -10.874 -7.306 1.647 261 HA LEU 32 HA LEU 32 -11.366 -4.990 3.270 262 HB2 LEU 32 2HB LEU 32 -9.895 -7.573 3.903 263 HB3 LEU 32 1HB LEU 32 -10.288 -6.336 5.086 264 HG LEU 32 HG LEU 32 -12.286 -8.053 3.556 265 HD11 LEU 32 1HD1 LEU 32 -12.822 -9.003 5.752 266 HD12 LEU 32 2HD1 LEU 32 -11.593 -7.988 6.511 267 HD13 LEU 32 3HD1 LEU 32 -11.118 -9.241 5.364 268 HD21 LEU 32 1HD2 LEU 32 -13.223 -5.803 3.866 269 HD22 LEU 32 2HD2 LEU 32 -12.848 -5.862 5.589 270 HD23 LEU 32 3HD2 LEU 32 -14.043 -6.967 4.908 271 H LEU 33 H LEU 33 -8.485 -6.437 1.778 272 HA LEU 33 HA LEU 33 -6.443 -4.833 2.819 273 HB2 LEU 33 2HB LEU 33 -5.951 -6.755 1.381 274 HB3 LEU 33 1HB LEU 33 -6.784 -6.008 0.029 275 HG LEU 33 HG LEU 33 -4.982 -4.194 0.028 276 HD11 LEU 33 1HD1 LEU 33 -4.150 -4.437 2.292 277 HD12 LEU 33 2HD1 LEU 33 -2.847 -4.678 1.135 278 HD13 LEU 33 3HD1 LEU 33 -3.577 -6.068 1.944 279 HD21 LEU 33 1HD2 LEU 33 -4.010 -7.020 -0.471 280 HD22 LEU 33 2HD2 LEU 33 -3.318 -5.539 -1.144 281 HD23 LEU 33 3HD2 LEU 33 -4.949 -6.033 -1.596 282 H LEU 34 H LEU 34 -8.574 -4.276 0.041 283 HA LEU 34 HA LEU 34 -7.478 -1.729 -0.698 284 HB2 LEU 34 2HB LEU 34 -9.995 -3.192 -1.555 285 HB3 LEU 34 1HB LEU 34 -9.434 -1.697 -2.293 286 HG LEU 34 HG LEU 34 -7.822 -4.281 -2.270 287 HD11 LEU 34 1HD1 LEU 34 -8.433 -4.541 -4.631 288 HD12 LEU 34 2HD1 LEU 34 -9.518 -3.154 -4.515 289 HD13 LEU 34 3HD1 LEU 34 -9.847 -4.616 -3.580 290 HD21 LEU 34 1HD2 LEU 34 -7.387 -1.691 -3.791 291 HD22 LEU 34 2HD2 LEU 34 -6.440 -3.168 -3.981 292 HD23 LEU 34 3HD2 LEU 34 -6.412 -2.300 -2.451 293 H GLN 35 H GLN 35 -10.090 -2.779 1.394 294 HA GLN 35 HA GLN 35 -11.391 -0.284 1.748 295 HB2 GLN 35 2HB GLN 35 -12.390 -2.407 2.518 296 HB3 GLN 35 1HB GLN 35 -11.092 -2.623 3.686 297 HG2 GLN 35 2HG GLN 35 -13.152 -1.846 4.768 298 HG3 GLN 35 1HG GLN 35 -11.855 -0.669 4.945 299 HE21 GLN 35 1HE2 GLN 35 -13.828 -1.077 2.009 300 HE22 GLN 35 2HE2 GLN 35 -14.617 0.455 2.133 301 H GLN 36 H GLN 36 -8.531 -1.763 3.252 302 HA GLN 36 HA GLN 36 -8.117 0.441 5.098 303 HB2 GLN 36 2HB GLN 36 -6.145 -1.784 4.453 304 HB3 GLN 36 1HB GLN 36 -6.157 -0.741 5.868 305 HG2 GLN 36 2HG GLN 36 -8.158 -2.903 5.206 306 HG3 GLN 36 1HG GLN 36 -6.898 -2.984 6.428 307 HE21 GLN 36 1HE2 GLN 36 -9.783 -3.318 6.665 308 HE22 GLN 36 2HE2 GLN 36 -10.287 -2.188 7.870 309 H GLU 37 H GLU 37 -6.994 -0.521 1.910 310 HA GLU 37 HA GLU 37 -4.632 0.741 1.398 311 HB2 GLU 37 2HB GLU 37 -5.727 -0.529 -0.350 312 HB3 GLU 37 1HB GLU 37 -7.132 0.526 -0.330 313 HG2 GLU 37 2HG GLU 37 -5.599 2.377 -1.213 314 HG3 GLU 37 1HG GLU 37 -4.382 1.125 -1.456 315 H VAL 38 H VAL 38 -7.807 2.241 0.891 316 HA VAL 38 HA VAL 38 -6.885 4.740 0.058 317 HB VAL 38 HB VAL 38 -9.276 5.524 0.520 318 HG11 VAL 38 1HG1 VAL 38 -8.578 4.625 -1.661 319 HG12 VAL 38 2HG1 VAL 38 -10.238 4.163 -1.298 320 HG13 VAL 38 3HG1 VAL 38 -8.936 2.982 -1.122 321 HG21 VAL 38 1HG2 VAL 38 -9.703 2.615 1.335 322 HG22 VAL 38 2HG2 VAL 38 -10.972 3.820 1.090 323 HG23 VAL 38 3HG2 VAL 38 -9.818 4.012 2.409 324 H SER 39 H SER 39 -7.935 3.675 3.288 325 HA SER 39 HA SER 39 -7.744 6.195 4.582 326 HB2 SER 39 2HB SER 39 -7.599 3.396 5.794 327 HB3 SER 39 1HB SER 39 -8.004 4.891 6.649 328 HG SER 39 HG SER 39 -9.931 4.012 6.129 329 H TYR 40 H TYR 40 -5.517 3.507 4.194 330 HA TYR 40 HA TYR 40 -3.548 4.250 6.097 331 HB2 TYR 40 2HB TYR 40 -3.749 1.937 5.481 332 HB3 TYR 40 1HB TYR 40 -3.627 2.298 3.763 333 HD1 TYR 40 HD1 TYR 40 -1.521 2.914 6.839 334 HD2 TYR 40 HD2 TYR 40 -1.645 1.542 2.789 335 HE1 TYR 40 HE1 TYR 40 0.867 2.399 6.928 336 HE2 TYR 40 HE2 TYR 40 0.752 1.028 2.888 337 HH TYR 40 HH TYR 40 2.735 1.793 4.232 338 H LEU 41 H LEU 41 -3.483 4.278 2.533 339 HA LEU 41 HA LEU 41 -1.060 5.649 2.219 340 HB2 LEU 41 2HB LEU 41 -3.438 5.411 0.334 341 HB3 LEU 41 1HB LEU 41 -1.862 6.026 -0.141 342 HG LEU 41 HG LEU 41 -2.371 3.189 0.867 343 HD11 LEU 41 1HD1 LEU 41 -3.420 3.542 -1.325 344 HD12 LEU 41 2HD1 LEU 41 -2.044 2.450 -1.447 345 HD13 LEU 41 3HD1 LEU 41 -1.889 4.125 -1.980 346 HD21 LEU 41 1HD2 LEU 41 -0.092 3.939 1.373 347 HD22 LEU 41 2HD2 LEU 41 0.150 4.417 -0.309 348 HD23 LEU 41 3HD2 LEU 41 -0.073 2.715 0.103 349 H GLN 42 H GLN 42 -4.436 6.823 2.418 350 HA GLN 42 HA GLN 42 -4.101 9.556 1.924 351 HB2 GLN 42 2HB GLN 42 -6.308 8.491 2.233 352 HB3 GLN 42 1HB GLN 42 -5.956 8.198 3.931 353 HG2 GLN 42 2HG GLN 42 -5.789 10.754 4.175 354 HG3 GLN 42 1HG GLN 42 -6.498 10.850 2.567 355 HE21 GLN 42 1HE2 GLN 42 -8.267 8.496 3.040 356 HE22 GLN 42 2HE2 GLN 42 -9.499 9.062 4.108 357 H SER 43 H SER 43 -3.719 7.751 4.972 358 HA SER 43 HA SER 43 -3.238 9.950 6.672 359 HB2 SER 43 2HB SER 43 -2.443 7.030 6.969 360 HB3 SER 43 1HB SER 43 -2.342 8.229 8.260 361 HG SER 43 HG SER 43 -4.752 7.701 6.872 362 H ILE 44 H ILE 44 -1.012 7.849 4.839 363 HA ILE 44 HA ILE 44 1.448 8.971 5.708 364 HB ILE 44 HB ILE 44 0.823 7.723 2.982 365 HG12 ILE 44 2HG1 ILE 44 1.913 6.355 5.495 366 HG13 ILE 44 1HG1 ILE 44 0.258 6.211 4.915 367 HG21 ILE 44 1HG2 ILE 44 3.495 8.109 4.388 368 HG22 ILE 44 2HG2 ILE 44 2.944 8.964 2.945 369 HG23 ILE 44 3HG2 ILE 44 3.258 7.230 2.879 370 HD11 ILE 44 1HD1 ILE 44 2.730 5.257 3.472 371 HD12 ILE 44 2HD1 ILE 44 1.076 5.136 2.867 372 HD13 ILE 44 3HD1 ILE 44 1.548 4.262 4.323 373 H GLU 45 H GLU 45 -0.667 9.741 2.974 374 HA GLU 45 HA GLU 45 0.882 11.730 1.721 375 HB2 GLU 45 2HB GLU 45 -2.116 11.191 1.668 376 HB3 GLU 45 1HB GLU 45 -1.329 12.369 0.621 377 HG2 GLU 45 2HG GLU 45 -0.103 10.659 -0.540 378 HG3 GLU 45 1HG GLU 45 -0.565 9.436 0.645 379 H THR 46 H THR 46 -1.540 11.919 4.320 380 HA THR 46 HA THR 46 -1.711 14.814 4.142 381 HB THR 46 HB THR 46 -3.747 13.403 4.608 382 HG1 THR 46 HG1 THR 46 -3.117 15.760 5.502 383 HG21 THR 46 1HG2 THR 46 -4.195 12.655 6.913 384 HG22 THR 46 2HG2 THR 46 -2.564 13.124 7.396 385 HG23 THR 46 3HG2 THR 46 -2.797 11.811 6.242 386 H VAL 47 H VAL 47 0.029 12.471 6.181 387 HA VAL 47 HA VAL 47 0.841 14.464 8.123 388 HB VAL 47 HB VAL 47 2.593 12.868 8.886 389 HG11 VAL 47 1HG1 VAL 47 0.342 12.689 9.837 390 HG12 VAL 47 2HG1 VAL 47 1.108 11.103 9.741 391 HG13 VAL 47 3HG1 VAL 47 -0.128 11.559 8.564 392 HG21 VAL 47 1HG2 VAL 47 1.613 11.043 6.666 393 HG22 VAL 47 2HG2 VAL 47 2.746 10.589 7.944 394 HG23 VAL 47 3HG2 VAL 47 3.196 11.815 6.757 395 H MET 48 H MET 48 2.143 13.228 5.066 396 HA MET 48 HA MET 48 4.535 14.850 5.127 397 HB2 MET 48 2HB MET 48 3.173 13.312 2.887 398 HB3 MET 48 1HB MET 48 4.709 14.159 2.697 399 HG2 MET 48 2HG MET 48 4.168 11.876 4.606 400 HG3 MET 48 1HG MET 48 5.075 11.788 3.092 401 HE1 MET 48 1HE MET 48 7.813 11.409 5.933 402 HE2 MET 48 2HE MET 48 7.072 10.635 4.536 403 HE3 MET 48 3HE MET 48 6.147 10.842 6.025 404 H GLU 49 H GLU 49 1.253 15.301 3.978 405 HA GLU 49 HA GLU 49 1.670 17.789 2.601 406 HB2 GLU 49 2HB GLU 49 -0.323 16.507 2.121 407 HB3 GLU 49 1HB GLU 49 -0.792 16.471 3.816 408 HG2 GLU 49 2HG GLU 49 -1.248 18.890 3.747 409 HG3 GLU 49 1HG GLU 49 -0.739 18.943 2.058 410 H LYS 50 H LYS 50 1.064 16.807 5.910 411 HA LYS 50 HA LYS 50 0.829 19.445 7.049 412 HB2 LYS 50 2HB LYS 50 0.333 16.813 7.953 413 HB3 LYS 50 1HB LYS 50 1.728 17.285 8.901 414 HG2 LYS 50 2HG LYS 50 -0.928 18.758 8.786 415 HG3 LYS 50 1HG LYS 50 -0.363 17.718 10.096 416 HD2 LYS 50 2HD LYS 50 1.569 19.303 10.429 417 HD3 LYS 50 1HD LYS 50 0.840 20.371 9.229 418 HE2 LYS 50 2HE LYS 50 -0.433 19.531 11.852 419 HE3 LYS 50 1HE LYS 50 0.328 21.087 11.526 420 HZ1 LYS 50 1HZ LYS 50 -2.065 21.201 11.349 421 HZ2 LYS 50 2HZ LYS 50 -2.065 20.016 10.147 422 HZ3 LYS 50 3HZ LYS 50 -1.348 21.518 9.853 423 H GLN 51 H GLN 51 3.361 17.827 5.638 424 HA GLN 51 HA GLN 51 5.503 18.325 5.224 425 HB2 GLN 51 2HB GLN 51 5.143 20.701 7.100 426 HB3 GLN 51 1HB GLN 51 6.497 20.468 6.004 427 HG2 GLN 51 2HG GLN 51 3.606 20.920 5.188 428 HG3 GLN 51 1HG GLN 51 4.896 22.118 5.134 429 HE21 GLN 51 1HE2 GLN 51 3.605 19.238 3.651 430 HE22 GLN 51 2HE2 GLN 51 4.520 19.346 2.193 431 H THR 52 H THR 52 4.478 16.856 7.754 432 HA THR 52 HA THR 52 5.098 15.985 9.725 433 HB THR 52 HB THR 52 7.924 16.191 8.580 434 HG1 THR 52 HG1 THR 52 6.429 14.972 7.302 435 HG21 THR 52 1HG2 THR 52 8.494 14.334 10.108 436 HG22 THR 52 2HG2 THR 52 6.874 14.388 10.803 437 HG23 THR 52 3HG2 THR 52 7.976 15.749 11.029 438 HA PRO 53 HA PRO 53 5.522 20.164 11.726 439 HB2 PRO 53 2HB PRO 53 4.619 18.437 14.046 440 HB3 PRO 53 1HB PRO 53 4.030 20.037 13.537 441 HG2 PRO 53 2HG PRO 53 2.600 17.853 13.028 442 HG3 PRO 53 1HG PRO 53 2.705 19.166 11.833 443 HD2 PRO 53 2HD PRO 53 4.055 16.486 11.814 444 HD3 PRO 53 1HD PRO 53 3.440 17.457 10.457 445 HA PRO 54 HA PRO 54 9.717 19.003 13.300 446 HB2 PRO 54 2HB PRO 54 9.921 21.994 13.638 447 HB3 PRO 54 1HB PRO 54 11.016 20.869 12.799 448 HG2 PRO 54 2HG PRO 54 9.450 22.474 11.386 449 HG3 PRO 54 1HG PRO 54 9.690 20.785 10.874 450 HD2 PRO 54 2HD PRO 54 7.341 21.987 12.354 451 HD3 PRO 54 1HD PRO 54 7.351 20.871 10.965 452 H GLY 55 H GLY 55 7.143 20.550 14.969 453 HA2 GLY 55 2HA GLY 55 8.521 21.031 17.482 454 HA3 GLY 55 1HA GLY 55 6.814 21.260 17.144 455 H ILE 56 H ILE 56 9.086 18.517 17.180 456 HA ILE 56 HA ILE 56 7.121 16.865 18.665 457 HB ILE 56 HB ILE 56 9.390 15.920 16.832 458 HG12 ILE 56 2HG1 ILE 56 7.782 17.015 15.404 459 HG13 ILE 56 1HG1 ILE 56 7.557 15.286 15.204 460 HG21 ILE 56 1HG2 ILE 56 8.282 13.715 16.939 461 HG22 ILE 56 2HG2 ILE 56 7.098 14.362 18.075 462 HG23 ILE 56 3HG2 ILE 56 8.799 14.267 18.534 463 HD11 ILE 56 1HD1 ILE 56 5.799 17.179 16.763 464 HD12 ILE 56 2HD1 ILE 56 5.587 15.428 16.714 465 HD13 ILE 56 3HD1 ILE 56 5.432 16.374 15.235 466 H THR 57 H THR 57 7.767 16.345 20.728 467 HA THR 57 HA THR 57 10.445 16.838 21.680 468 HB THR 57 HB THR 57 8.453 17.064 23.185 469 HG1 THR 57 HG1 THR 57 10.006 16.788 24.571 470 HG21 THR 57 1HG2 THR 57 7.409 15.063 24.168 471 HG22 THR 57 2HG2 THR 57 8.342 14.022 23.092 472 HG23 THR 57 3HG2 THR 57 7.128 15.118 22.427 473 H ARG 58 H ARG 58 11.614 15.007 22.874 474 HA ARG 58 HA ARG 58 12.432 13.131 20.904 475 HB2 ARG 58 2HB ARG 58 14.162 12.486 22.416 476 HB3 ARG 58 1HB ARG 58 13.907 14.196 22.716 477 HG2 ARG 58 2HG ARG 58 12.897 11.914 24.441 478 HG3 ARG 58 1HG ARG 58 14.282 12.936 24.800 479 HD2 ARG 58 2HD ARG 58 12.851 14.859 25.151 480 HD3 ARG 58 1HD ARG 58 11.443 13.985 24.538 481 HE ARG 58 HE ARG 58 12.713 12.811 26.863 482 HH11 ARG 58 1HH1 ARG 58 10.165 14.984 25.745 483 HH12 ARG 58 2HH1 ARG 58 9.256 14.858 27.215 484 HH21 ARG 58 1HH2 ARG 58 11.522 12.695 28.786 485 HH22 ARG 58 2HH2 ARG 58 10.025 13.560 28.937 486 H SER 59 H SER 59 10.152 12.925 23.527 487 HA SER 59 HA SER 59 10.045 10.099 23.854 488 HB2 SER 59 2HB SER 59 9.251 11.653 25.591 489 HB3 SER 59 1HB SER 59 7.995 12.263 24.512 490 HG SER 59 HG SER 59 8.237 9.660 25.614 491 H ILE 60 H ILE 60 7.961 12.418 22.131 492 HA ILE 60 HA ILE 60 6.249 10.530 20.882 493 HB ILE 60 HB ILE 60 6.865 13.425 20.131 494 HG12 ILE 60 2HG1 ILE 60 4.500 12.267 21.685 495 HG13 ILE 60 1HG1 ILE 60 5.879 13.078 22.419 496 HG21 ILE 60 1HG2 ILE 60 4.586 11.657 19.150 497 HG22 ILE 60 2HG2 ILE 60 5.928 12.261 18.177 498 HG23 ILE 60 3HG2 ILE 60 4.741 13.387 18.832 499 HD11 ILE 60 1HD1 ILE 60 5.288 15.138 21.251 500 HD12 ILE 60 2HD1 ILE 60 3.977 14.552 22.275 501 HD13 ILE 60 3HD1 ILE 60 3.896 14.327 20.529 502 H GLN 61 H GLN 61 9.207 12.170 19.886 503 HA GLN 61 HA GLN 61 9.482 11.441 17.222 504 HB2 GLN 61 2HB GLN 61 10.953 13.067 18.281 505 HB3 GLN 61 1HB GLN 61 11.568 11.861 19.403 506 HG2 GLN 61 2HG GLN 61 12.598 10.663 17.440 507 HG3 GLN 61 1HG GLN 61 12.089 12.012 16.421 508 HE21 GLN 61 1HE2 GLN 61 14.271 12.469 15.904 509 HE22 GLN 61 2HE2 GLN 61 15.338 13.224 17.028 510 H ASP 62 H ASP 62 10.447 9.688 20.176 511 HA ASP 62 HA ASP 62 11.644 7.456 18.884 512 HB2 ASP 62 2HB ASP 62 12.148 8.049 21.227 513 HB3 ASP 62 1HB ASP 62 10.489 7.685 21.696 514 H MET 63 H MET 63 8.358 8.001 20.216 515 HA MET 63 HA MET 63 7.259 5.444 19.855 516 HB2 MET 63 2HB MET 63 5.778 8.089 19.574 517 HB3 MET 63 1HB MET 63 5.025 6.519 19.807 518 HG2 MET 63 2HG MET 63 6.176 6.388 22.032 519 HG3 MET 63 1HG MET 63 6.698 8.056 21.789 520 HE1 MET 63 1HE MET 63 3.840 8.817 20.029 521 HE2 MET 63 2HE MET 63 4.684 9.986 21.044 522 HE3 MET 63 3HE MET 63 2.975 9.660 21.313 523 H VAL 64 H VAL 64 7.014 8.271 17.684 524 HA VAL 64 HA VAL 64 5.644 6.863 15.629 525 HB VAL 64 HB VAL 64 5.940 8.860 14.217 526 HG11 VAL 64 1HG1 VAL 64 5.119 9.600 17.056 527 HG12 VAL 64 2HG1 VAL 64 4.096 8.783 15.870 528 HG13 VAL 64 3HG1 VAL 64 4.646 10.432 15.566 529 HG21 VAL 64 1HG2 VAL 64 8.239 9.459 14.920 530 HG22 VAL 64 2HG2 VAL 64 7.620 10.006 16.477 531 HG23 VAL 64 3HG2 VAL 64 7.140 10.840 14.995 532 H ALA 65 H ALA 65 9.092 7.541 16.184 533 HA ALA 65 HA ALA 65 10.104 6.673 13.704 534 HB1 ALA 65 1HB ALA 65 12.201 6.170 14.909 535 HB2 ALA 65 2HB ALA 65 11.353 6.316 16.453 536 HB3 ALA 65 3HB ALA 65 11.535 7.726 15.408 537 H GLY 66 H GLY 66 9.133 4.886 16.614 538 HA2 GLY 66 2HA GLY 66 9.664 2.245 15.761 539 HA3 GLY 66 1HA GLY 66 8.456 2.723 16.951 540 H TYR 67 H TYR 67 6.733 4.275 15.471 541 HA TYR 67 HA TYR 67 5.056 2.353 14.272 542 HB2 TYR 67 2HB TYR 67 4.924 5.391 14.243 543 HB3 TYR 67 1HB TYR 67 3.660 4.372 13.559 544 HD1 TYR 67 HD1 TYR 67 4.054 6.363 16.233 545 HD2 TYR 67 HD2 TYR 67 3.295 2.221 15.487 546 HE1 TYR 67 HE1 TYR 67 2.957 6.168 18.421 547 HE2 TYR 67 HE2 TYR 67 2.191 2.032 17.670 548 HH TYR 67 HH TYR 67 1.296 4.723 19.542 549 H ILE 68 H ILE 68 7.263 4.723 12.816 550 HA ILE 68 HA ILE 68 6.446 4.310 10.102 551 HB ILE 68 HB ILE 68 9.145 5.382 11.090 552 HG12 ILE 68 2HG1 ILE 68 6.688 6.964 10.208 553 HG13 ILE 68 1HG1 ILE 68 7.185 6.756 11.875 554 HG21 ILE 68 1HG2 ILE 68 9.340 6.381 8.818 555 HG22 ILE 68 2HG2 ILE 68 7.824 5.610 8.351 556 HG23 ILE 68 3HG2 ILE 68 9.228 4.619 8.742 557 HD11 ILE 68 1HD1 ILE 68 7.825 8.929 11.020 558 HD12 ILE 68 2HD1 ILE 68 8.769 8.171 9.738 559 HD13 ILE 68 3HD1 ILE 68 9.249 7.973 11.426 560 H LYS 69 H LYS 69 9.015 3.010 12.188 561 HA LYS 69 HA LYS 69 10.355 1.368 10.341 562 HB2 LYS 69 2HB LYS 69 11.200 2.026 12.575 563 HB3 LYS 69 1HB LYS 69 9.985 1.035 13.355 564 HG2 LYS 69 2HG LYS 69 11.984 -0.255 11.494 565 HG3 LYS 69 1HG LYS 69 12.486 0.198 13.118 566 HD2 LYS 69 2HD LYS 69 10.231 -1.724 12.415 567 HD3 LYS 69 1HD LYS 69 11.825 -2.166 13.030 568 HE2 LYS 69 2HE LYS 69 11.339 -0.947 15.139 569 HE3 LYS 69 1HE LYS 69 9.734 -0.539 14.525 570 HZ1 LYS 69 1HZ LYS 69 9.206 -2.893 14.436 571 HZ2 LYS 69 2HZ LYS 69 9.680 -2.459 15.999 572 HZ3 LYS 69 3HZ LYS 69 10.750 -3.290 14.994 573 H GLN 70 H GLN 70 7.512 0.743 12.383 574 HA GLN 70 HA GLN 70 7.070 -1.987 11.777 575 HB2 GLN 70 2HB GLN 70 5.053 0.178 12.513 576 HB3 GLN 70 1HB GLN 70 4.701 -1.547 12.488 577 HG2 GLN 70 2HG GLN 70 6.252 -1.929 14.320 578 HG3 GLN 70 1HG GLN 70 6.743 -0.237 14.294 579 HE21 GLN 70 1HE2 GLN 70 3.408 -1.420 13.960 580 HE22 GLN 70 2HE2 GLN 70 2.837 -0.726 15.430 581 H THR 71 H THR 71 5.753 1.009 10.363 582 HA THR 71 HA THR 71 4.022 -0.317 8.556 583 HB THR 71 HB THR 71 3.854 2.124 9.488 584 HG1 THR 71 HG1 THR 71 3.241 1.455 6.789 585 HG21 THR 71 1HG2 THR 71 5.980 3.018 8.561 586 HG22 THR 71 2HG2 THR 71 4.578 3.901 7.964 587 HG23 THR 71 3HG2 THR 71 5.384 2.724 6.927 588 H LEU 72 H LEU 72 7.342 0.783 8.331 589 HA LEU 72 HA LEU 72 7.716 0.565 5.522 590 HB2 LEU 72 2HB LEU 72 9.664 0.432 7.856 591 HB3 LEU 72 1HB LEU 72 10.197 0.323 6.186 592 HG LEU 72 HG LEU 72 8.716 2.715 7.341 593 HD11 LEU 72 1HD1 LEU 72 11.689 2.401 6.806 594 HD12 LEU 72 2HD1 LEU 72 10.920 2.479 8.394 595 HD13 LEU 72 3HD1 LEU 72 10.869 3.877 7.326 596 HD21 LEU 72 1HD2 LEU 72 8.358 2.480 4.946 597 HD22 LEU 72 2HD2 LEU 72 10.093 2.309 4.666 598 HD23 LEU 72 3HD2 LEU 72 9.441 3.835 5.259 599 H ASP 73 H ASP 73 8.247 -1.650 8.239 600 HA ASP 73 HA ASP 73 9.286 -3.873 6.883 601 HB2 ASP 73 2HB ASP 73 9.320 -3.789 9.318 602 HB3 ASP 73 1HB ASP 73 7.565 -3.677 9.400 603 H ASN 74 H ASN 74 5.910 -3.094 7.736 604 HA ASN 74 HA ASN 74 4.753 -5.427 6.618 605 HB2 ASN 74 2HB ASN 74 3.371 -2.778 7.207 606 HB3 ASN 74 1HB ASN 74 2.591 -4.346 7.031 607 HD21 ASN 74 1HD2 ASN 74 4.880 -5.617 8.672 608 HD22 ASN 74 2HD2 ASN 74 4.482 -5.188 10.294 609 H GLU 75 H GLU 75 5.218 -2.144 5.387 610 HA GLU 75 HA GLU 75 3.699 -2.493 2.976 611 HB2 GLU 75 2HB GLU 75 3.936 -0.326 4.126 612 HB3 GLU 75 1HB GLU 75 5.663 -0.324 3.805 613 HG2 GLU 75 2HG GLU 75 5.312 0.010 1.462 614 HG3 GLU 75 1HG GLU 75 3.582 -0.308 1.606 615 H GLN 76 H GLN 76 7.044 -2.986 3.884 616 HA GLN 76 HA GLN 76 8.090 -3.318 1.221 617 HB2 GLN 76 2HB GLN 76 9.514 -2.837 3.241 618 HB3 GLN 76 1HB GLN 76 9.167 -4.453 3.842 619 HG2 GLN 76 2HG GLN 76 10.279 -5.416 1.841 620 HG3 GLN 76 1HG GLN 76 10.638 -3.787 1.271 621 HE21 GLN 76 1HE2 GLN 76 10.865 -4.862 4.646 622 HE22 GLN 76 2HE2 GLN 76 12.580 -4.716 4.755 623 H LEU 77 H LEU 77 6.632 -5.420 3.658 624 HA LEU 77 HA LEU 77 6.943 -7.875 2.224 625 HB2 LEU 77 2HB LEU 77 5.021 -7.111 4.450 626 HB3 LEU 77 1HB LEU 77 5.207 -8.743 3.826 627 HG LEU 77 HG LEU 77 7.378 -7.140 5.240 628 HD11 LEU 77 1HD1 LEU 77 7.108 -8.732 7.080 629 HD12 LEU 77 2HD1 LEU 77 5.780 -9.521 6.226 630 HD13 LEU 77 3HD1 LEU 77 5.611 -7.852 6.775 631 HD21 LEU 77 1HD2 LEU 77 8.367 -8.623 3.571 632 HD22 LEU 77 2HD2 LEU 77 7.458 -9.995 4.210 633 HD23 LEU 77 3HD2 LEU 77 8.699 -9.222 5.197 634 H LEU 78 H LEU 78 4.436 -5.353 2.297 635 HA LEU 78 HA LEU 78 2.526 -6.577 0.594 636 HB2 LEU 78 2HB LEU 78 3.255 -3.625 0.843 637 HB3 LEU 78 1HB LEU 78 1.832 -4.235 0.012 638 HG LEU 78 HG LEU 78 2.349 -4.538 2.989 639 HD11 LEU 78 1HD1 LEU 78 0.450 -2.635 1.582 640 HD12 LEU 78 2HD1 LEU 78 2.011 -2.183 2.274 641 HD13 LEU 78 3HD1 LEU 78 0.730 -2.782 3.319 642 HD21 LEU 78 1HD2 LEU 78 -0.130 -5.181 1.347 643 HD22 LEU 78 2HD2 LEU 78 -0.004 -5.265 3.107 644 HD23 LEU 78 3HD2 LEU 78 0.953 -6.353 2.106 645 H LYS 79 H LYS 79 5.314 -4.493 -0.043 646 HA LYS 79 HA LYS 79 5.160 -4.158 -2.783 647 HB2 LYS 79 2HB LYS 79 6.694 -2.889 -1.396 648 HB3 LYS 79 1HB LYS 79 7.563 -4.344 -0.926 649 HG2 LYS 79 2HG LYS 79 8.467 -4.595 -3.168 650 HG3 LYS 79 1HG LYS 79 7.498 -3.235 -3.751 651 HD2 LYS 79 2HD LYS 79 8.757 -1.660 -2.405 652 HD3 LYS 79 1HD LYS 79 9.581 -2.970 -1.549 653 HE2 LYS 79 2HE LYS 79 11.019 -1.874 -3.253 654 HE3 LYS 79 1HE LYS 79 10.788 -3.594 -3.568 655 HZ1 LYS 79 1HZ LYS 79 10.592 -2.296 -5.585 656 HZ2 LYS 79 2HZ LYS 79 9.346 -1.377 -4.917 657 HZ3 LYS 79 3HZ LYS 79 9.110 -3.019 -5.218 658 H GLY 80 H GLY 80 6.851 -6.763 -0.978 659 HA2 GLY 80 2HA GLY 80 7.754 -8.198 -3.290 660 HA3 GLY 80 1HA GLY 80 7.753 -8.782 -1.635 661 H LEU 81 H LEU 81 5.077 -8.759 -0.997 662 HA LEU 81 HA LEU 81 4.175 -11.243 -1.989 663 HB2 LEU 81 2HB LEU 81 3.689 -10.194 0.261 664 HB3 LEU 81 1HB LEU 81 2.559 -9.111 -0.513 665 HG LEU 81 HG LEU 81 2.166 -12.146 -0.502 666 HD11 LEU 81 1HD1 LEU 81 2.288 -11.352 1.828 667 HD12 LEU 81 2HD1 LEU 81 0.654 -11.854 1.410 668 HD13 LEU 81 3HD1 LEU 81 1.052 -10.135 1.495 669 HD21 LEU 81 1HD2 LEU 81 0.808 -10.955 -2.179 670 HD22 LEU 81 2HD2 LEU 81 0.169 -9.889 -0.930 671 HD23 LEU 81 3HD2 LEU 81 -0.207 -11.613 -0.897 672 H LEU 82 H LEU 82 2.793 -7.983 -2.434 673 HA LEU 82 HA LEU 82 0.892 -8.712 -4.389 674 HB2 LEU 82 2HB LEU 82 2.043 -5.945 -3.838 675 HB3 LEU 82 1HB LEU 82 0.580 -6.282 -4.750 676 HG LEU 82 HG LEU 82 0.975 -6.773 -1.765 677 HD11 LEU 82 1HD1 LEU 82 -0.690 -4.987 -1.449 678 HD12 LEU 82 2HD1 LEU 82 -0.737 -4.708 -3.192 679 HD13 LEU 82 3HD1 LEU 82 0.745 -4.396 -2.286 680 HD21 LEU 82 1HD2 LEU 82 -1.495 -7.262 -3.456 681 HD22 LEU 82 2HD2 LEU 82 -1.414 -7.365 -1.696 682 HD23 LEU 82 3HD2 LEU 82 -0.490 -8.492 -2.685 683 H GLN 83 H GLN 83 4.323 -7.747 -4.673 684 HA GLN 83 HA GLN 83 4.467 -7.233 -7.424 685 HB2 GLN 83 2HB GLN 83 6.431 -6.931 -6.018 686 HB3 GLN 83 1HB GLN 83 6.489 -8.648 -5.646 687 HG2 GLN 83 2HG GLN 83 7.031 -9.126 -8.021 688 HG3 GLN 83 1HG GLN 83 7.004 -7.396 -8.360 689 HE21 GLN 83 1HE2 GLN 83 8.345 -8.822 -5.414 690 HE22 GLN 83 2HE2 GLN 83 9.986 -8.427 -5.763 691 H GLN 84 H GLN 84 4.751 -10.327 -5.710 692 HA GLN 84 HA GLN 84 4.970 -12.017 -7.967 693 HB2 GLN 84 2HB GLN 84 3.737 -12.703 -5.268 694 HB3 GLN 84 1HB GLN 84 4.387 -13.844 -6.444 695 HG2 GLN 84 2HG GLN 84 6.648 -12.885 -6.109 696 HG3 GLN 84 1HG GLN 84 5.984 -11.770 -4.915 697 HE21 GLN 84 1HE2 GLN 84 5.116 -15.191 -5.309 698 HE22 GLN 84 2HE2 GLN 84 5.733 -15.691 -3.778 699 H ARG 85 H ARG 85 2.154 -11.015 -6.033 700 HA ARG 85 HA ARG 85 0.180 -12.579 -7.216 701 HB2 ARG 85 2HB ARG 85 -0.059 -9.840 -5.920 702 HB3 ARG 85 1HB ARG 85 -1.439 -10.848 -6.328 703 HG2 ARG 85 2HG ARG 85 0.737 -11.794 -4.449 704 HG3 ARG 85 1HG ARG 85 -0.641 -10.848 -3.894 705 HD2 ARG 85 2HD ARG 85 -1.209 -13.091 -3.463 706 HD3 ARG 85 1HD ARG 85 -2.132 -12.659 -4.895 707 HE ARG 85 HE ARG 85 -0.015 -13.845 -6.016 708 HH11 ARG 85 1HH1 ARG 85 -1.940 -14.886 -3.241 709 HH12 ARG 85 2HH1 ARG 85 -1.668 -16.572 -3.547 710 HH21 ARG 85 1HH2 ARG 85 0.263 -16.066 -6.425 711 HH22 ARG 85 2HH2 ARG 85 -0.427 -17.239 -5.341 712 H LEU 86 H LEU 86 1.061 -9.206 -7.964 713 HA LEU 86 HA LEU 86 -0.787 -8.841 -10.084 714 HB2 LEU 86 2HB LEU 86 1.726 -7.289 -9.349 715 HB3 LEU 86 1HB LEU 86 0.553 -6.758 -10.548 716 HG LEU 86 HG LEU 86 -0.017 -7.152 -7.584 717 HD11 LEU 86 1HD1 LEU 86 0.217 -4.585 -9.177 718 HD12 LEU 86 2HD1 LEU 86 1.388 -5.195 -8.004 719 HD13 LEU 86 3HD1 LEU 86 -0.224 -4.723 -7.473 720 HD21 LEU 86 1HD2 LEU 86 -2.001 -7.670 -8.881 721 HD22 LEU 86 2HD2 LEU 86 -1.842 -6.169 -9.797 722 HD23 LEU 86 3HD2 LEU 86 -2.209 -6.117 -8.075 723 H ASP 87 H ASP 87 2.572 -9.925 -10.017 724 HA ASP 87 HA ASP 87 3.139 -9.803 -12.794 725 HB2 ASP 87 2HB ASP 87 4.913 -10.117 -11.112 726 HB3 ASP 87 1HB ASP 87 4.239 -11.670 -10.638 727 H GLU 88 H GLU 88 1.897 -12.396 -10.724 728 HA GLU 88 HA GLU 88 1.447 -14.386 -12.660 729 HB2 GLU 88 2HB GLU 88 0.029 -13.867 -10.013 730 HB3 GLU 88 1HB GLU 88 -0.134 -15.349 -10.948 731 HG2 GLU 88 2HG GLU 88 2.184 -15.923 -10.588 732 HG3 GLU 88 1HG GLU 88 2.518 -14.352 -9.865 733 H LEU 89 H LEU 89 -0.785 -11.943 -11.265 734 HA LEU 89 HA LEU 89 -3.098 -12.624 -12.680 735 HB2 LEU 89 2HB LEU 89 -2.275 -9.913 -11.547 736 HB3 LEU 89 1HB LEU 89 -3.868 -10.247 -12.207 737 HG LEU 89 HG LEU 89 -2.660 -11.534 -9.726 738 HD11 LEU 89 1HD1 LEU 89 -4.413 -10.325 -8.506 739 HD12 LEU 89 2HD1 LEU 89 -4.974 -9.590 -10.009 740 HD13 LEU 89 3HD1 LEU 89 -3.368 -9.205 -9.383 741 HD21 LEU 89 1HD2 LEU 89 -4.842 -12.633 -9.416 742 HD22 LEU 89 2HD2 LEU 89 -4.057 -13.170 -10.898 743 HD23 LEU 89 3HD2 LEU 89 -5.387 -12.011 -10.975 744 H SER 90 H SER 90 -0.502 -10.344 -13.503 745 HA SER 90 HA SER 90 -1.644 -9.205 -15.822 746 HB2 SER 90 2HB SER 90 0.293 -8.211 -14.633 747 HB3 SER 90 1HB SER 90 1.307 -9.568 -15.120 748 HG SER 90 HG SER 90 1.700 -8.444 -16.843 749 H SER 91 H SER 91 0.460 -12.036 -15.358 750 HA SER 91 HA SER 91 0.782 -12.750 -18.084 751 HB2 SER 91 2HB SER 91 2.215 -13.589 -16.217 752 HB3 SER 91 1HB SER 91 0.864 -14.555 -15.624 753 HG SER 91 HG SER 91 2.432 -14.877 -17.934 754 H LEU 92 H LEU 92 -1.630 -13.629 -15.644 755 HA LEU 92 HA LEU 92 -3.060 -15.587 -17.120 756 HB2 LEU 92 2HB LEU 92 -3.945 -13.810 -14.814 757 HB3 LEU 92 1HB LEU 92 -4.862 -15.184 -15.408 758 HG LEU 92 HG LEU 92 -2.090 -15.372 -14.166 759 HD11 LEU 92 1HD1 LEU 92 -4.779 -16.043 -12.934 760 HD12 LEU 92 2HD1 LEU 92 -3.748 -14.674 -12.507 761 HD13 LEU 92 3HD1 LEU 92 -3.197 -16.318 -12.197 762 HD21 LEU 92 1HD2 LEU 92 -2.486 -17.801 -14.115 763 HD22 LEU 92 2HD2 LEU 92 -2.488 -17.180 -15.763 764 HD23 LEU 92 3HD2 LEU 92 -4.015 -17.577 -14.970 765 H ILE 93 H ILE 93 -3.499 -12.096 -16.696 766 HA ILE 93 HA ILE 93 -5.910 -11.769 -18.163 767 HB ILE 93 HB ILE 93 -3.702 -9.759 -17.477 768 HG12 ILE 93 2HG1 ILE 93 -6.464 -10.141 -16.220 769 HG13 ILE 93 1HG1 ILE 93 -4.962 -10.738 -15.528 770 HG21 ILE 93 1HG2 ILE 93 -4.917 -8.928 -19.450 771 HG22 ILE 93 2HG2 ILE 93 -5.310 -7.951 -18.035 772 HG23 ILE 93 3HG2 ILE 93 -6.458 -9.156 -18.621 773 HD11 ILE 93 1HD1 ILE 93 -5.704 -7.848 -15.949 774 HD12 ILE 93 2HD1 ILE 93 -4.165 -8.425 -15.302 775 HD13 ILE 93 3HD1 ILE 93 -5.660 -8.724 -14.418 776 H GLY 94 H GLY 94 -2.469 -11.680 -19.031 777 HA2 GLY 94 2HA GLY 94 -2.668 -10.776 -21.693 778 HA3 GLY 94 1HA GLY 94 -1.373 -11.766 -21.043 779 H GLN 95 H GLN 95 -3.177 -13.958 -20.296 780 HA GLN 95 HA GLN 95 -3.188 -15.373 -22.823 781 HB2 GLN 95 2HB GLN 95 -3.987 -16.254 -20.018 782 HB3 GLN 95 1HB GLN 95 -3.902 -17.328 -21.411 783 HG2 GLN 95 2HG GLN 95 -1.574 -15.813 -20.201 784 HG3 GLN 95 1HG GLN 95 -1.918 -17.527 -19.982 785 HE21 GLN 95 1HE2 GLN 95 -1.580 -18.945 -21.746 786 HE22 GLN 95 2HE2 GLN 95 -0.589 -18.508 -23.090 787 H VAL 96 H VAL 96 -5.668 -14.054 -20.612 788 HA VAL 96 HA VAL 96 -7.786 -15.515 -22.060 789 HB VAL 96 HB VAL 96 -9.275 -15.020 -20.200 790 HG11 VAL 96 1HG1 VAL 96 -8.111 -16.269 -18.408 791 HG12 VAL 96 2HG1 VAL 96 -6.565 -16.003 -19.218 792 HG13 VAL 96 3HG1 VAL 96 -7.814 -16.979 -19.996 793 HG21 VAL 96 1HG2 VAL 96 -8.535 -13.798 -18.164 794 HG22 VAL 96 2HG2 VAL 96 -8.534 -12.753 -19.584 795 HG23 VAL 96 3HG2 VAL 96 -7.012 -13.390 -18.964 796 H LEU 97 H LEU 97 -6.705 -12.206 -21.503 797 HA LEU 97 HA LEU 97 -9.114 -10.930 -22.406 798 HB2 LEU 97 2HB LEU 97 -7.032 -9.987 -20.963 799 HB3 LEU 97 1HB LEU 97 -6.456 -9.483 -22.538 800 HG LEU 97 HG LEU 97 -9.002 -8.585 -21.126 801 HD11 LEU 97 1HD1 LEU 97 -6.534 -7.028 -21.935 802 HD12 LEU 97 2HD1 LEU 97 -7.005 -7.496 -20.298 803 HD13 LEU 97 3HD1 LEU 97 -7.989 -6.348 -21.198 804 HD21 LEU 97 1HD2 LEU 97 -8.163 -7.800 -23.929 805 HD22 LEU 97 2HD2 LEU 97 -9.493 -7.092 -23.010 806 HD23 LEU 97 3HD2 LEU 97 -9.560 -8.784 -23.498 807 H PHE 98 H PHE 98 -9.768 -11.248 -24.441 808 HA PHE 98 HA PHE 98 -7.997 -11.462 -26.714 809 HB2 PHE 98 2HB PHE 98 -11.020 -11.057 -26.653 810 HB3 PHE 98 1HB PHE 98 -10.068 -11.569 -28.038 811 HD1 PHE 98 HD1 PHE 98 -8.343 -13.688 -26.870 812 HD2 PHE 98 HD2 PHE 98 -12.485 -12.848 -26.228 813 HE1 PHE 98 HE1 PHE 98 -8.745 -16.054 -26.328 814 HE2 PHE 98 HE2 PHE 98 -12.876 -15.209 -25.679 815 HZ PHE 98 HZ PHE 98 -11.010 -16.817 -25.728 816 H GLN 99 H GLN 99 -6.821 -9.500 -26.307 817 HA GLN 99 HA GLN 99 -8.221 -6.920 -26.453 818 HB2 GLN 99 2HB GLN 99 -5.823 -6.029 -25.879 819 HB3 GLN 99 1HB GLN 99 -6.736 -6.875 -24.642 820 HG2 GLN 99 2HG GLN 99 -4.482 -7.630 -24.496 821 HG3 GLN 99 1HG GLN 99 -5.438 -8.951 -25.158 822 HE21 GLN 99 1HE2 GLN 99 -4.199 -6.143 -26.955 823 HE22 GLN 99 2HE2 GLN 99 -3.124 -7.054 -27.948 824 H GLY 100 H GLY 100 -7.431 -8.892 -28.771 825 HA2 GLY 100 2HA GLY 100 -7.562 -7.227 -30.893 826 HA3 GLY 100 1HA GLY 100 -5.840 -7.211 -30.516 827 HA PRO 101 HA PRO 101 -5.543 -11.330 -32.443 828 HB2 PRO 101 2HB PRO 101 -3.562 -12.552 -31.050 829 HB3 PRO 101 1HB PRO 101 -3.219 -11.128 -32.055 830 HG2 PRO 101 2HG PRO 101 -3.633 -11.265 -29.083 831 HG3 PRO 101 1HG PRO 101 -2.374 -10.409 -30.001 832 HD2 PRO 101 2HD PRO 101 -4.613 -9.151 -29.056 833 HD3 PRO 101 1HD PRO 101 -3.767 -8.633 -30.529 834 H SER 102 H SER 102 -5.086 -13.798 -31.385 835 HA SER 102 HA SER 102 -6.019 -15.618 -30.425 836 HB2 SER 102 2HB SER 102 -6.890 -13.670 -28.245 837 HB3 SER 102 1HB SER 102 -6.866 -15.429 -28.101 838 HG SER 102 HG SER 102 -4.986 -14.694 -27.223 839 H ALA 103 H ALA 103 -7.496 -14.000 -32.335 840 HA ALA 103 HA ALA 103 -10.093 -15.236 -32.190 841 HB1 ALA 103 1HB ALA 103 -9.924 -12.200 -32.042 842 HB2 ALA 103 2HB ALA 103 -10.505 -13.266 -30.764 843 HB3 ALA 103 3HB ALA 103 -11.406 -13.138 -32.275 844 H GLY 104 H GLY 104 -11.217 -15.106 -34.212 845 HA2 GLY 104 2HA GLY 104 -9.588 -14.725 -36.552 846 HA3 GLY 104 1HA GLY 104 -11.299 -15.130 -36.525 847 H LEU 105 H LEU 105 -12.104 -12.909 -34.935 848 HA LEU 105 HA LEU 105 -11.869 -10.626 -36.787 849 HB2 LEU 105 2HB LEU 105 -13.805 -9.733 -35.268 850 HB3 LEU 105 1HB LEU 105 -14.137 -10.999 -36.430 851 HG LEU 105 HG LEU 105 -14.008 -12.697 -34.550 852 HD11 LEU 105 1HD1 LEU 105 -13.979 -10.281 -32.719 853 HD12 LEU 105 2HD1 LEU 105 -12.689 -11.471 -32.902 854 HD13 LEU 105 3HD1 LEU 105 -14.241 -11.954 -32.222 855 HD21 LEU 105 1HD2 LEU 105 -16.254 -12.192 -33.664 856 HD22 LEU 105 2HD2 LEU 105 -16.154 -11.930 -35.403 857 HD23 LEU 105 3HD2 LEU 105 -16.135 -10.549 -34.303 858 H VAL 106 H VAL 106 -12.124 -8.424 -35.321 859 HA VAL 106 HA VAL 106 -9.882 -8.428 -33.392 860 HB VAL 106 HB VAL 106 -11.169 -6.018 -34.763 861 HG11 VAL 106 1HG1 VAL 106 -9.169 -4.776 -33.980 862 HG12 VAL 106 2HG1 VAL 106 -8.588 -6.224 -33.154 863 HG13 VAL 106 3HG1 VAL 106 -10.082 -5.448 -32.626 864 HG21 VAL 106 1HG2 VAL 106 -8.572 -7.439 -35.496 865 HG22 VAL 106 2HG2 VAL 106 -9.176 -5.950 -36.230 866 HG23 VAL 106 3HG2 VAL 106 -10.066 -7.458 -36.440 867 HA PRO 107 HA PRO 107 -13.435 -7.848 -30.506 868 HB2 PRO 107 2HB PRO 107 -12.645 -9.541 -28.587 869 HB3 PRO 107 1HB PRO 107 -13.142 -10.174 -30.173 870 HG2 PRO 107 2HG PRO 107 -10.385 -9.812 -29.070 871 HG3 PRO 107 1HG PRO 107 -11.034 -11.133 -30.064 872 HD2 PRO 107 2HD PRO 107 -9.559 -8.907 -31.011 873 HD3 PRO 107 1HD PRO 107 -10.488 -10.055 -32.001 874 H ARG 108 H ARG 108 -10.835 -6.208 -30.729 875 HA ARG 108 HA ARG 108 -9.961 -5.549 -28.099 876 HB2 ARG 108 2HB ARG 108 -8.519 -5.224 -30.056 877 HB3 ARG 108 1HB ARG 108 -9.661 -4.079 -30.747 878 HG2 ARG 108 2HG ARG 108 -9.215 -2.542 -28.814 879 HG3 ARG 108 1HG ARG 108 -7.999 -3.686 -28.237 880 HD2 ARG 108 2HD ARG 108 -6.975 -1.819 -29.478 881 HD3 ARG 108 1HD ARG 108 -6.687 -3.361 -30.282 882 HE ARG 108 HE ARG 108 -8.685 -1.340 -31.151 883 HH11 ARG 108 1HH1 ARG 108 -6.412 -3.899 -31.968 884 HH12 ARG 108 2HH1 ARG 108 -6.664 -3.751 -33.680 885 HH21 ARG 108 1HH2 ARG 108 -9.030 -1.167 -33.399 886 HH22 ARG 108 2HH2 ARG 108 -8.156 -2.196 -34.488 887 H GLY 109 H GLY 109 -11.940 -5.219 -27.013 888 HA2 GLY 109 2HA GLY 109 -13.068 -2.484 -27.328 889 HA3 GLY 109 1HA GLY 109 -14.085 -3.884 -26.993 890 H SER 110 H SER 110 -11.709 -1.679 -25.699 891 HA SER 110 HA SER 110 -11.423 -2.831 -23.126 892 HB2 SER 110 2HB SER 110 -11.046 0.033 -24.073 893 HB3 SER 110 1HB SER 110 -10.584 -0.549 -22.475 894 HG SER 110 HG SER 110 -8.809 -0.614 -23.841 895 H GLY 111 H GLY 111 -13.193 -3.261 -21.959 896 HA2 GLY 111 2HA GLY 111 -14.721 -2.329 -20.289 897 HA3 GLY 111 1HA GLY 111 -15.241 -1.147 -21.484 898 H GLY 112 H GLY 112 -14.855 -3.952 -23.207 899 HA2 GLY 112 2HA GLY 112 -17.184 -5.450 -22.508 900 HA3 GLY 112 1HA GLY 112 -17.546 -4.307 -23.794 901 H ILE 113 H ILE 113 -16.141 -7.370 -23.016 902 HA ILE 113 HA ILE 113 -15.777 -7.896 -25.931 903 HB ILE 113 HB ILE 113 -14.357 -9.545 -23.765 904 HG12 ILE 113 2HG1 ILE 113 -12.188 -8.350 -24.718 905 HG13 ILE 113 1HG1 ILE 113 -13.298 -7.060 -25.163 906 HG21 ILE 113 1HG2 ILE 113 -12.996 -10.380 -25.654 907 HG22 ILE 113 2HG2 ILE 113 -13.912 -9.369 -26.773 908 HG23 ILE 113 3HG2 ILE 113 -14.717 -10.683 -25.910 909 HD11 ILE 113 1HD1 ILE 113 -13.927 -6.796 -22.813 910 HD12 ILE 113 2HD1 ILE 113 -12.185 -6.634 -23.037 911 HD13 ILE 113 3HD1 ILE 113 -12.851 -8.124 -22.369 912 H GLU 114 H GLU 114 -17.712 -8.850 -26.436 913 HA GLU 114 HA GLU 114 -19.648 -9.703 -24.717 914 HB2 GLU 114 2HB GLU 114 -20.750 -10.802 -26.699 915 HB3 GLU 114 1HB GLU 114 -20.232 -9.143 -26.967 916 HG2 GLU 114 2HG GLU 114 -18.253 -9.931 -28.210 917 HG3 GLU 114 1HG GLU 114 -18.726 -11.603 -27.914 918 H GLY 115 H GLY 115 -19.737 -11.315 -23.302 919 HA2 GLY 115 2HA GLY 115 -20.142 -13.840 -23.337 920 HA3 GLY 115 1HA GLY 115 -18.443 -13.931 -23.796 921 H SER 428 H SER 428 -18.641 -15.314 -21.740 922 HA SER 428 HA SER 428 -18.594 -13.945 -19.202 923 HB2 SER 428 2HB SER 428 -19.303 -16.335 -19.425 924 HB3 SER 428 1HB SER 428 -17.653 -16.775 -19.861 925 HG SER 428 HG SER 428 -18.244 -15.415 -17.452 926 H ILE 429 H ILE 429 -16.311 -14.440 -21.710 927 HA ILE 429 HA ILE 429 -13.864 -14.217 -20.361 928 HB ILE 429 HB ILE 429 -13.977 -14.781 -22.729 929 HG12 ILE 429 2HG1 ILE 429 -11.906 -13.448 -21.698 930 HG13 ILE 429 1HG1 ILE 429 -11.958 -13.840 -23.405 931 HG21 ILE 429 1HG2 ILE 429 -15.845 -13.442 -23.475 932 HG22 ILE 429 2HG2 ILE 429 -14.447 -13.130 -24.507 933 HG23 ILE 429 3HG2 ILE 429 -14.917 -11.955 -23.275 934 HD11 ILE 429 1HD1 ILE 429 -12.657 -11.147 -22.227 935 HD12 ILE 429 2HD1 ILE 429 -12.586 -11.557 -23.943 936 HD13 ILE 429 3HD1 ILE 429 -11.118 -11.587 -22.967 937 H ASP 430 H ASP 430 -16.184 -11.711 -21.395 938 HA ASP 430 HA ASP 430 -14.839 -9.387 -20.640 939 HB2 ASP 430 2HB ASP 430 -16.962 -9.359 -21.871 940 HB3 ASP 430 1HB ASP 430 -17.819 -10.028 -20.494 941 H GLU 431 H GLU 431 -16.735 -11.652 -18.706 942 HA GLU 431 HA GLU 431 -16.899 -10.101 -16.331 943 HB2 GLU 431 2HB GLU 431 -17.226 -13.106 -16.726 944 HB3 GLU 431 1HB GLU 431 -17.671 -12.218 -15.268 945 HG2 GLU 431 2HG GLU 431 -19.306 -10.896 -16.614 946 HG3 GLU 431 1HG GLU 431 -18.909 -11.887 -18.020 947 H THR 432 H THR 432 -14.824 -12.918 -17.212 948 HA THR 432 HA THR 432 -13.394 -12.888 -14.753 949 HB THR 432 HB THR 432 -13.509 -14.934 -16.147 950 HG1 THR 432 HG1 THR 432 -10.956 -15.098 -16.103 951 HG21 THR 432 1HG2 THR 432 -12.023 -15.234 -18.089 952 HG22 THR 432 2HG2 THR 432 -11.532 -13.543 -17.995 953 HG23 THR 432 3HG2 THR 432 -13.199 -13.955 -18.404 954 H VAL 433 H VAL 433 -12.798 -11.340 -17.892 955 HA VAL 433 HA VAL 433 -10.262 -10.220 -17.292 956 HB VAL 433 HB VAL 433 -12.439 -9.412 -19.266 957 HG11 VAL 433 1HG1 VAL 433 -11.343 -7.299 -18.653 958 HG12 VAL 433 2HG1 VAL 433 -10.866 -7.774 -20.284 959 HG13 VAL 433 3HG1 VAL 433 -9.753 -8.013 -18.935 960 HG21 VAL 433 1HG2 VAL 433 -10.779 -10.180 -20.943 961 HG22 VAL 433 2HG2 VAL 433 -11.170 -11.453 -19.786 962 HG23 VAL 433 3HG2 VAL 433 -9.649 -10.570 -19.642 963 H ALA 434 H ALA 434 -13.582 -9.064 -16.748 964 HA ALA 434 HA ALA 434 -12.975 -6.505 -15.733 965 HB1 ALA 434 1HB ALA 434 -15.236 -7.167 -16.444 966 HB2 ALA 434 2HB ALA 434 -15.253 -6.529 -14.798 967 HB3 ALA 434 3HB ALA 434 -15.356 -8.272 -15.076 968 H ARG 435 H ARG 435 -13.249 -9.662 -14.091 969 HA ARG 435 HA ARG 435 -13.090 -8.673 -11.414 970 HB2 ARG 435 2HB ARG 435 -12.402 -11.472 -12.422 971 HB3 ARG 435 1HB ARG 435 -12.732 -11.025 -10.750 972 HG2 ARG 435 2HG ARG 435 -14.691 -11.047 -13.053 973 HG3 ARG 435 1HG ARG 435 -14.656 -12.151 -11.685 974 HD2 ARG 435 2HD ARG 435 -15.366 -10.419 -10.173 975 HD3 ARG 435 1HD ARG 435 -15.134 -9.167 -11.398 976 HE ARG 435 HE ARG 435 -17.042 -11.185 -12.160 977 HH11 ARG 435 1HH1 ARG 435 -16.671 -8.132 -10.425 978 HH12 ARG 435 2HH1 ARG 435 -18.338 -7.696 -10.610 979 HH21 ARG 435 1HH2 ARG 435 -19.213 -10.559 -12.413 980 HH22 ARG 435 2HH2 ARG 435 -19.768 -9.067 -11.733 981 H TYR 436 H TYR 436 -10.728 -10.205 -13.586 982 HA TYR 436 HA TYR 436 -8.518 -10.010 -11.784 983 HB2 TYR 436 2HB TYR 436 -8.776 -10.747 -14.715 984 HB3 TYR 436 1HB TYR 436 -7.196 -10.598 -13.950 985 HD1 TYR 436 HD1 TYR 436 -6.250 -12.573 -13.104 986 HD2 TYR 436 HD2 TYR 436 -10.511 -12.278 -13.251 987 HE1 TYR 436 HE1 TYR 436 -6.451 -14.883 -12.277 988 HE2 TYR 436 HE2 TYR 436 -10.707 -14.578 -12.422 989 HH TYR 436 HH TYR 436 -9.441 -16.600 -12.248 990 H LYS 437 H LYS 437 -9.785 -7.897 -14.306 991 HA LYS 437 HA LYS 437 -7.563 -6.101 -14.478 992 HB2 LYS 437 2HB LYS 437 -9.261 -6.051 -16.235 993 HB3 LYS 437 1HB LYS 437 -10.531 -5.687 -15.072 994 HG2 LYS 437 2HG LYS 437 -9.429 -3.470 -14.638 995 HG3 LYS 437 1HG LYS 437 -8.265 -3.838 -15.913 996 HD2 LYS 437 2HD LYS 437 -10.085 -3.927 -17.580 997 HD3 LYS 437 1HD LYS 437 -11.282 -3.654 -16.309 998 HE2 LYS 437 2HE LYS 437 -10.877 -1.576 -17.506 999 HE3 LYS 437 1HE LYS 437 -10.265 -1.425 -15.861 1000 HZ1 LYS 437 1HZ LYS 437 -8.038 -1.818 -16.689 1001 HZ2 LYS 437 2HZ LYS 437 -8.737 -0.502 -17.486 1002 HZ3 LYS 437 3HZ LYS 437 -8.622 -2.000 -18.263 1003 H ALA 438 H ALA 438 -10.542 -6.200 -12.544 1004 HA ALA 438 HA ALA 438 -10.212 -3.781 -11.140 1005 HB1 ALA 438 1HB ALA 438 -11.824 -4.705 -9.529 1006 HB2 ALA 438 2HB ALA 438 -11.624 -6.312 -10.235 1007 HB3 ALA 438 3HB ALA 438 -12.337 -5.010 -11.189 1008 H GLN 439 H GLN 439 -9.449 -7.127 -10.099 1009 HA GLN 439 HA GLN 439 -8.215 -6.518 -7.670 1010 HB2 GLN 439 2HB GLN 439 -7.754 -8.882 -9.533 1011 HB3 GLN 439 1HB GLN 439 -7.176 -8.806 -7.873 1012 HG2 GLN 439 2HG GLN 439 -10.091 -8.725 -8.710 1013 HG3 GLN 439 1HG GLN 439 -9.240 -10.147 -8.118 1014 HE21 GLN 439 1HE2 GLN 439 -10.646 -7.073 -7.224 1015 HE22 GLN 439 2HE2 GLN 439 -10.599 -7.331 -5.516 1016 H PHE 440 H PHE 440 -6.755 -6.905 -10.914 1017 HA PHE 440 HA PHE 440 -4.055 -6.649 -10.144 1018 HB2 PHE 440 2HB PHE 440 -4.637 -7.582 -12.331 1019 HB3 PHE 440 1HB PHE 440 -5.371 -6.063 -12.829 1020 HD1 PHE 440 HD1 PHE 440 -2.117 -7.628 -11.875 1021 HD2 PHE 440 HD2 PHE 440 -4.036 -4.376 -13.887 1022 HE1 PHE 440 HE1 PHE 440 0.050 -6.892 -12.765 1023 HE2 PHE 440 HE2 PHE 440 -1.861 -3.649 -14.775 1024 HZ PHE 440 HZ PHE 440 0.182 -4.905 -14.212 1025 H THR 441 H THR 441 -6.187 -4.199 -11.678 1026 HA THR 441 HA THR 441 -4.277 -2.128 -11.677 1027 HB THR 441 HB THR 441 -7.314 -1.903 -11.922 1028 HG1 THR 441 HG1 THR 441 -6.310 -3.340 -13.441 1029 HG21 THR 441 1HG2 THR 441 -5.135 -0.011 -12.913 1030 HG22 THR 441 2HG2 THR 441 -6.253 0.313 -11.583 1031 HG23 THR 441 3HG2 THR 441 -6.863 0.148 -13.231 1032 H GLN 442 H GLN 442 -6.787 -2.978 -9.344 1033 HA GLN 442 HA GLN 442 -6.627 -0.631 -7.721 1034 HB2 GLN 442 2HB GLN 442 -7.726 -3.414 -7.189 1035 HB3 GLN 442 1HB GLN 442 -7.779 -2.134 -5.977 1036 HG2 GLN 442 2HG GLN 442 -9.205 -0.768 -7.366 1037 HG3 GLN 442 1HG GLN 442 -9.019 -1.864 -8.734 1038 HE21 GLN 442 1HE2 GLN 442 -9.344 -4.312 -7.199 1039 HE22 GLN 442 2HE2 GLN 442 -11.012 -4.393 -6.755 1040 H LEU 443 H LEU 443 -5.146 -3.898 -7.392 1041 HA LEU 443 HA LEU 443 -3.559 -3.174 -5.093 1042 HB2 LEU 443 2HB LEU 443 -3.595 -5.544 -6.967 1043 HB3 LEU 443 1HB LEU 443 -2.260 -5.349 -5.851 1044 HG LEU 443 HG LEU 443 -3.790 -5.550 -3.924 1045 HD11 LEU 443 1HD1 LEU 443 -5.846 -4.596 -4.891 1046 HD12 LEU 443 2HD1 LEU 443 -6.127 -6.158 -4.132 1047 HD13 LEU 443 3HD1 LEU 443 -6.041 -6.038 -5.891 1048 HD21 LEU 443 1HD2 LEU 443 -4.348 -7.936 -4.193 1049 HD22 LEU 443 2HD2 LEU 443 -2.745 -7.571 -4.827 1050 HD23 LEU 443 3HD2 LEU 443 -4.100 -7.802 -5.936 1051 H ASP 444 H ASP 444 -3.217 -2.679 -8.480 1052 HA ASP 444 HA ASP 444 -0.333 -2.470 -8.605 1053 HB2 ASP 444 2HB ASP 444 -1.537 -3.212 -10.590 1054 HB3 ASP 444 1HB ASP 444 -2.537 -1.768 -10.594 1055 H THR 445 H THR 445 -3.078 -0.187 -8.622 1056 HA THR 445 HA THR 445 -1.469 2.166 -8.603 1057 HB THR 445 HB THR 445 -3.843 2.255 -9.339 1058 HG1 THR 445 HG1 THR 445 -4.267 4.240 -8.359 1059 HG21 THR 445 1HG2 THR 445 -5.686 2.314 -7.710 1060 HG22 THR 445 2HG2 THR 445 -4.565 1.912 -6.408 1061 HG23 THR 445 3HG2 THR 445 -4.883 0.740 -7.688 1062 H MET 446 H MET 446 -2.910 0.081 -6.091 1063 HA MET 446 HA MET 446 -2.103 1.493 -3.808 1064 HB2 MET 446 2HB MET 446 -3.596 -0.535 -3.743 1065 HB3 MET 446 1HB MET 446 -2.203 -1.550 -4.106 1066 HG2 MET 446 2HG MET 446 -1.127 -0.792 -2.007 1067 HG3 MET 446 1HG MET 446 -2.547 0.189 -1.647 1068 HE1 MET 446 1HE MET 446 -1.344 -1.868 0.447 1069 HE2 MET 446 2HE MET 446 -2.833 -2.609 1.031 1070 HE3 MET 446 3HE MET 446 -2.778 -0.876 0.722 1071 H MET 447 H MET 447 -0.381 -0.876 -5.829 1072 HA MET 447 HA MET 447 1.946 -1.146 -4.277 1073 HB2 MET 447 2HB MET 447 1.571 -2.820 -5.924 1074 HB3 MET 447 1HB MET 447 1.435 -1.641 -7.223 1075 HG2 MET 447 2HG MET 447 3.793 -1.212 -7.209 1076 HG3 MET 447 1HG MET 447 4.017 -2.085 -5.693 1077 HE1 MET 447 1HE MET 447 2.498 -4.626 -5.868 1078 HE2 MET 447 2HE MET 447 4.219 -4.624 -5.468 1079 HE3 MET 447 3HE MET 447 3.593 -5.737 -6.680 1080 H SER 448 H SER 448 1.392 0.887 -7.164 1081 HA SER 448 HA SER 448 3.968 1.987 -7.313 1082 HB2 SER 448 2HB SER 448 2.806 3.768 -8.714 1083 HB3 SER 448 1HB SER 448 2.513 2.103 -9.219 1084 HG SER 448 HG SER 448 0.480 2.397 -8.858 1085 H LYS 449 H LYS 449 1.039 3.099 -5.630 1086 HA LYS 449 HA LYS 449 2.141 5.477 -4.551 1087 HB2 LYS 449 2HB LYS 449 -0.164 3.765 -3.547 1088 HB3 LYS 449 1HB LYS 449 0.256 5.344 -2.886 1089 HG2 LYS 449 2HG LYS 449 -0.130 6.355 -5.138 1090 HG3 LYS 449 1HG LYS 449 -0.636 4.773 -5.729 1091 HD2 LYS 449 2HD LYS 449 -2.629 6.038 -5.226 1092 HD3 LYS 449 1HD LYS 449 -2.470 4.782 -3.996 1093 HE2 LYS 449 2HE LYS 449 -1.520 6.446 -2.429 1094 HE3 LYS 449 1HE LYS 449 -1.677 7.696 -3.666 1095 HZ1 LYS 449 1HZ LYS 449 -4.082 7.322 -3.644 1096 HZ2 LYS 449 2HZ LYS 449 -3.502 7.810 -2.135 1097 HZ3 LYS 449 3HZ LYS 449 -3.906 6.189 -2.396 1098 H LEU 450 H LEU 450 1.885 2.147 -3.188 1099 HA LEU 450 HA LEU 450 3.005 2.920 -0.675 1100 HB2 LEU 450 2HB LEU 450 2.837 0.657 0.044 1101 HB3 LEU 450 1HB LEU 450 1.406 1.046 -0.870 1102 HG LEU 450 HG LEU 450 2.540 -0.260 -2.826 1103 HD11 LEU 450 1HD1 LEU 450 4.180 -1.408 -0.550 1104 HD12 LEU 450 2HD1 LEU 450 4.797 -0.511 -1.937 1105 HD13 LEU 450 3HD1 LEU 450 4.056 -2.089 -2.177 1106 HD21 LEU 450 1HD2 LEU 450 1.553 -1.762 -0.387 1107 HD22 LEU 450 2HD2 LEU 450 1.609 -2.386 -2.037 1108 HD23 LEU 450 3HD2 LEU 450 0.547 -1.039 -1.643 1109 H ASN 451 H ASN 451 4.374 2.070 -3.665 1110 HA ASN 451 HA ASN 451 6.980 1.259 -2.761 1111 HB2 ASN 451 2HB ASN 451 6.043 0.658 -5.025 1112 HB3 ASN 451 1HB ASN 451 6.147 2.349 -5.505 1113 HD21 ASN 451 1HD2 ASN 451 8.296 3.290 -5.697 1114 HD22 ASN 451 2HD2 ASN 451 9.658 2.279 -6.010 1115 H ASN 452 H ASN 452 5.584 4.227 -4.187 1116 HA ASN 452 HA ASN 452 7.825 5.921 -3.927 1117 HB2 ASN 452 2HB ASN 452 5.861 6.477 -5.353 1118 HB3 ASN 452 1HB ASN 452 4.866 6.672 -3.911 1119 HD21 ASN 452 1HD2 ASN 452 4.409 8.826 -4.036 1120 HD22 ASN 452 2HD2 ASN 452 5.582 10.093 -4.048 1121 H THR 453 H THR 453 5.140 5.199 -1.707 1122 HA THR 453 HA THR 453 5.752 7.196 0.204 1123 HB THR 453 HB THR 453 4.287 5.878 1.784 1124 HG1 THR 453 HG1 THR 453 4.006 3.862 1.338 1125 HG21 THR 453 1HG2 THR 453 2.169 6.149 0.540 1126 HG22 THR 453 2HG2 THR 453 3.063 6.304 -0.971 1127 HG23 THR 453 3HG2 THR 453 3.233 7.537 0.273 1128 H SER 454 H SER 454 6.335 3.611 0.272 1129 HA SER 454 HA SER 454 7.840 3.475 2.595 1130 HB2 SER 454 2HB SER 454 8.790 1.358 1.724 1131 HB3 SER 454 1HB SER 454 7.061 1.462 1.398 1132 HG SER 454 HG SER 454 7.472 1.871 -0.708 1133 H SER 455 H SER 455 8.910 4.403 -0.638 1134 HA SER 455 HA SER 455 11.682 4.521 -0.243 1135 HB2 SER 455 2HB SER 455 10.648 4.728 -2.464 1136 HB3 SER 455 1HB SER 455 9.912 6.264 -2.012 1137 HG SER 455 HG SER 455 11.734 7.233 -2.402 1138 H TYR 456 H TYR 456 9.370 7.348 -0.079 1139 HA TYR 456 HA TYR 456 11.410 8.968 1.137 1140 HB2 TYR 456 2HB TYR 456 9.736 10.767 1.328 1141 HB3 TYR 456 1HB TYR 456 9.853 10.105 -0.286 1142 HD1 TYR 456 HD1 TYR 456 7.712 9.657 2.814 1143 HD2 TYR 456 HD2 TYR 456 7.840 9.848 -1.456 1144 HE1 TYR 456 HE1 TYR 456 5.260 9.604 2.731 1145 HE2 TYR 456 HE2 TYR 456 5.384 9.780 -1.529 1146 HH TYR 456 HH TYR 456 3.509 9.158 -0.193 1147 H LEU 457 H LEU 457 9.104 6.814 2.467 1148 HA LEU 457 HA LEU 457 8.903 7.979 5.086 1149 HB2 LEU 457 2HB LEU 457 8.216 5.212 4.021 1150 HB3 LEU 457 1HB LEU 457 8.040 5.622 5.717 1151 HG LEU 457 HG LEU 457 6.517 6.917 3.416 1152 HD11 LEU 457 1HD1 LEU 457 4.543 5.775 4.363 1153 HD12 LEU 457 2HD1 LEU 457 5.568 4.977 5.560 1154 HD13 LEU 457 3HD1 LEU 457 5.772 4.622 3.842 1155 HD21 LEU 457 1HD2 LEU 457 6.271 7.393 6.401 1156 HD22 LEU 457 2HD2 LEU 457 5.216 8.063 5.153 1157 HD23 LEU 457 3HD2 LEU 457 6.913 8.526 5.211 1158 H THR 458 H THR 458 10.949 5.449 3.581 1159 HA THR 458 HA THR 458 12.252 4.765 6.053 1160 HB THR 458 HB THR 458 12.080 3.148 4.125 1161 HG1 THR 458 HG1 THR 458 13.779 2.173 4.933 1162 HG21 THR 458 1HG2 THR 458 13.761 3.211 2.330 1163 HG22 THR 458 2HG2 THR 458 14.352 4.766 2.915 1164 HG23 THR 458 3HG2 THR 458 12.722 4.638 2.254 1165 H GLN 459 H GLN 459 12.926 6.990 3.385 1166 HA GLN 459 HA GLN 459 15.484 7.901 4.281 1167 HB2 GLN 459 2HB GLN 459 13.352 9.344 2.645 1168 HB3 GLN 459 1HB GLN 459 15.019 9.888 2.824 1169 HG2 GLN 459 2HG GLN 459 15.826 7.882 1.681 1170 HG3 GLN 459 1HG GLN 459 14.182 7.264 1.554 1171 HE21 GLN 459 1HE2 GLN 459 13.012 9.873 0.835 1172 HE22 GLN 459 2HE2 GLN 459 13.505 10.174 -0.788 1173 H GLN 460 H GLN 460 12.160 8.955 4.958 1174 HA GLN 460 HA GLN 460 12.840 11.234 6.547 1175 HB2 GLN 460 2HB GLN 460 10.599 10.665 5.298 1176 HB3 GLN 460 1HB GLN 460 10.181 9.755 6.738 1177 HG2 GLN 460 2HG GLN 460 10.911 12.696 6.796 1178 HG3 GLN 460 1HG GLN 460 9.266 12.131 6.554 1179 HE21 GLN 460 1HE2 GLN 460 10.450 13.759 8.706 1180 HE22 GLN 460 2HE2 GLN 460 10.058 12.940 10.173 1181 H PHE 461 H PHE 461 12.192 7.826 7.226 1182 HA PHE 461 HA PHE 461 12.263 7.956 10.057 1183 HB2 PHE 461 2HB PHE 461 11.319 5.995 8.961 1184 HB3 PHE 461 1HB PHE 461 12.841 5.645 8.150 1185 HD1 PHE 461 HD1 PHE 461 12.035 6.421 11.762 1186 HD2 PHE 461 HD2 PHE 461 13.615 3.582 8.979 1187 HE1 PHE 461 HE1 PHE 461 12.697 4.954 13.615 1188 HE2 PHE 461 HE2 PHE 461 14.273 2.124 10.843 1189 HZ PHE 461 HZ PHE 461 13.820 2.812 13.166 1190 H THR 462 H THR 462 14.803 7.565 7.585 1191 HA THR 462 HA THR 462 16.990 7.095 9.305 1192 HB THR 462 HB THR 462 16.992 8.527 6.605 1193 HG1 THR 462 HG1 THR 462 16.377 6.048 7.158 1194 HG21 THR 462 1HG2 THR 462 19.268 7.186 8.121 1195 HG22 THR 462 2HG2 THR 462 19.114 8.916 7.798 1196 HG23 THR 462 3HG2 THR 462 19.366 7.789 6.466 1197 H ALA 463 H ALA 463 15.479 10.115 8.172 1198 HA ALA 463 HA ALA 463 17.330 11.900 9.439 1199 HB1 ALA 463 1HB ALA 463 14.483 12.405 8.510 1200 HB2 ALA 463 2HB ALA 463 15.940 12.577 7.531 1201 HB3 ALA 463 3HB ALA 463 15.683 13.643 8.910 1202 H MET 464 H MET 464 14.047 10.801 10.335 1203 HA MET 464 HA MET 464 13.743 12.321 12.692 1204 HB2 MET 464 2HB MET 464 11.819 11.360 11.494 1205 HB3 MET 464 1HB MET 464 12.375 9.731 11.838 1206 HG2 MET 464 2HG MET 464 11.955 10.078 14.234 1207 HG3 MET 464 1HG MET 464 11.445 11.735 13.916 1208 HE1 MET 464 1HE MET 464 8.044 11.252 12.066 1209 HE2 MET 464 2HE MET 464 9.618 11.612 11.356 1210 HE3 MET 464 3HE MET 464 9.120 12.403 12.853 1211 H ASN 465 H ASN 465 15.125 9.149 12.102 1212 HA ASN 465 HA ASN 465 15.503 8.495 14.901 1213 HB2 ASN 465 2HB ASN 465 15.191 6.814 12.949 1214 HB3 ASN 465 1HB ASN 465 16.866 7.141 12.525 1215 HD21 ASN 465 1HD2 ASN 465 15.718 4.647 13.293 1216 HD22 ASN 465 2HD2 ASN 465 16.519 4.120 14.732 1217 H LYS 466 H LYS 466 17.863 9.027 12.194 1218 HA LYS 466 HA LYS 466 19.625 10.478 14.082 1219 HB2 LYS 466 2HB LYS 466 21.621 9.498 12.984 1220 HB3 LYS 466 1HB LYS 466 20.641 8.304 13.809 1221 HG2 LYS 466 2HG LYS 466 20.498 8.712 10.802 1222 HG3 LYS 466 1HG LYS 466 21.672 7.633 11.547 1223 HD2 LYS 466 2HD LYS 466 18.644 7.371 11.737 1224 HD3 LYS 466 1HD LYS 466 19.706 6.402 10.714 1225 HE2 LYS 466 2HE LYS 466 19.718 6.454 13.749 1226 HE3 LYS 466 1HE LYS 466 19.075 5.167 12.734 1227 HZ1 LYS 466 1HZ LYS 466 21.315 4.778 11.899 1228 HZ2 LYS 466 2HZ LYS 466 21.244 4.607 13.578 1229 HZ3 LYS 466 3HZ LYS 466 21.917 5.999 12.899 1230 H SER 467 H SER 467 18.398 12.364 13.122 1231 HA SER 467 HA SER 467 18.871 13.557 10.726 1232 HB2 SER 467 2HB SER 467 19.084 14.855 13.477 1233 HB3 SER 467 1HB SER 467 18.903 15.745 11.962 1234 HG SER 467 HG SER 467 16.983 14.088 11.845 Start of MODEL 7 1 H1 MET 1 1H MET 1 -1.950 22.959 19.577 2 H2 MET 1 2H MET 1 -0.904 22.885 20.904 3 H3 MET 1 3H MET 1 -2.066 21.682 20.675 4 HA MET 1 HA MET 1 0.193 22.235 18.859 5 HB2 MET 1 2HB MET 1 1.200 20.152 19.711 6 HB3 MET 1 1HB MET 1 0.964 21.289 21.023 7 HG2 MET 1 2HG MET 1 -0.814 20.011 21.948 8 HG3 MET 1 1HG MET 1 -0.995 19.059 20.473 9 HE1 MET 1 1HE MET 1 0.231 16.229 22.783 10 HE2 MET 1 2HE MET 1 -0.899 16.691 21.512 11 HE3 MET 1 3HE MET 1 -0.980 17.469 23.096 12 H THR 2 H THR 2 -2.130 22.326 17.649 13 HA THR 2 HA THR 2 -3.641 20.052 17.118 14 HB THR 2 HB THR 2 -4.337 21.270 14.985 15 HG1 THR 2 HG1 THR 2 -3.231 22.959 14.343 16 HG21 THR 2 1HG2 THR 2 -4.354 22.932 17.538 17 HG22 THR 2 2HG2 THR 2 -5.535 21.692 17.107 18 HG23 THR 2 3HG2 THR 2 -5.417 23.167 16.146 19 H SER 3 H SER 3 -0.895 21.352 15.230 20 HA SER 3 HA SER 3 -0.887 19.321 13.240 21 HB2 SER 3 2HB SER 3 1.339 21.233 14.060 22 HB3 SER 3 1HB SER 3 1.283 20.299 12.559 23 HG SER 3 HG SER 3 -0.849 21.421 12.277 24 H THR 4 H THR 4 0.730 19.649 16.351 25 HA THR 4 HA THR 4 2.596 17.511 16.029 26 HB THR 4 HB THR 4 1.592 18.831 18.586 27 HG1 THR 4 HG1 THR 4 4.068 19.443 17.412 28 HG21 THR 4 1HG2 THR 4 4.141 17.235 18.102 29 HG22 THR 4 2HG2 THR 4 2.761 16.688 19.055 30 HG23 THR 4 3HG2 THR 4 3.716 18.068 19.598 31 H VAL 5 H VAL 5 -0.713 17.705 17.338 32 HA VAL 5 HA VAL 5 -0.601 15.076 18.556 33 HB VAL 5 HB VAL 5 -1.941 16.915 19.598 34 HG11 VAL 5 1HG1 VAL 5 -2.858 17.988 17.605 35 HG12 VAL 5 2HG1 VAL 5 -4.149 17.543 18.723 36 HG13 VAL 5 3HG1 VAL 5 -3.857 16.570 17.280 37 HG21 VAL 5 1HG2 VAL 5 -2.415 14.585 20.198 38 HG22 VAL 5 2HG2 VAL 5 -3.572 14.457 18.871 39 HG23 VAL 5 3HG2 VAL 5 -3.899 15.541 20.225 40 H GLU 6 H GLU 6 -2.007 16.519 15.591 41 HA GLU 6 HA GLU 6 -3.337 14.158 14.681 42 HB2 GLU 6 2HB GLU 6 -3.526 15.273 12.521 43 HB3 GLU 6 1HB GLU 6 -3.874 16.423 13.805 44 HG2 GLU 6 2HG GLU 6 -1.562 17.331 13.566 45 HG3 GLU 6 1HG GLU 6 -1.300 16.227 12.217 46 H PHE 7 H PHE 7 -0.067 15.465 14.277 47 HA PHE 7 HA PHE 7 1.122 13.578 12.621 48 HB2 PHE 7 2HB PHE 7 2.280 15.574 13.353 49 HB3 PHE 7 1HB PHE 7 2.143 15.118 15.037 50 HD1 PHE 7 HD1 PHE 7 4.016 14.582 11.906 51 HD2 PHE 7 HD2 PHE 7 3.703 13.511 16.036 52 HE1 PHE 7 HE1 PHE 7 6.283 13.631 11.864 53 HE2 PHE 7 HE2 PHE 7 5.968 12.572 15.956 54 HZ PHE 7 HZ PHE 7 7.259 12.643 13.871 55 H ILE 8 H ILE 8 0.869 13.456 16.220 56 HA ILE 8 HA ILE 8 2.072 10.984 16.703 57 HB ILE 8 HB ILE 8 -0.207 12.263 18.289 58 HG12 ILE 8 2HG1 ILE 8 2.790 12.430 18.825 59 HG13 ILE 8 1HG1 ILE 8 1.861 13.689 18.031 60 HG21 ILE 8 1HG2 ILE 8 1.737 10.082 19.136 61 HG22 ILE 8 2HG2 ILE 8 0.002 9.895 18.882 62 HG23 ILE 8 3HG2 ILE 8 0.594 10.893 20.209 63 HD11 ILE 8 1HD1 ILE 8 1.470 12.730 20.860 64 HD12 ILE 8 2HD1 ILE 8 0.524 13.986 20.052 65 HD13 ILE 8 3HD1 ILE 8 2.245 14.230 20.346 66 H ASN 9 H ASN 9 -1.440 11.669 16.565 67 HA ASN 9 HA ASN 9 -2.320 9.044 16.959 68 HB2 ASN 9 2HB ASN 9 -3.777 11.447 15.787 69 HB3 ASN 9 1HB ASN 9 -4.569 9.889 16.012 70 HD21 ASN 9 1HD2 ASN 9 -3.531 12.766 17.566 71 HD22 ASN 9 2HD2 ASN 9 -4.066 12.350 19.154 72 H ARG 10 H ARG 10 -1.802 10.854 13.910 73 HA ARG 10 HA ARG 10 -3.007 8.787 12.320 74 HB2 ARG 10 2HB ARG 10 -1.345 11.168 11.423 75 HB3 ARG 10 1HB ARG 10 -2.146 10.032 10.333 76 HG2 ARG 10 2HG ARG 10 -4.332 10.627 11.404 77 HG3 ARG 10 1HG ARG 10 -3.485 11.867 12.336 78 HD2 ARG 10 2HD ARG 10 -3.807 11.723 9.332 79 HD3 ARG 10 1HD ARG 10 -4.495 12.919 10.434 80 HE ARG 10 HE ARG 10 -1.573 12.668 10.093 81 HH11 ARG 10 1HH1 ARG 10 -4.453 14.647 9.950 82 HH12 ARG 10 2HH1 ARG 10 -3.572 16.120 9.681 83 HH21 ARG 10 1HH2 ARG 10 -0.417 14.612 9.738 84 HH22 ARG 10 2HH2 ARG 10 -1.300 16.097 9.564 85 H TRP 11 H TRP 11 0.390 9.516 13.195 86 HA TRP 11 HA TRP 11 1.550 7.518 11.536 87 HB2 TRP 11 2HB TRP 11 2.499 8.827 14.104 88 HB3 TRP 11 1HB TRP 11 3.391 7.462 13.438 89 HD1 TRP 11 HD1 TRP 11 3.365 11.110 13.276 90 HE1 TRP 11 HE1 TRP 11 4.719 11.956 11.279 91 HE3 TRP 11 HE3 TRP 11 3.768 6.753 10.623 92 HZ2 TRP 11 HZ2 TRP 11 5.839 10.961 8.923 93 HZ3 TRP 11 HZ3 TRP 11 5.007 6.793 8.491 94 HH2 TRP 11 HH2 TRP 11 6.017 8.865 7.665 95 H GLN 12 H GLN 12 0.133 7.398 14.782 96 HA GLN 12 HA GLN 12 0.598 4.677 15.365 97 HB2 GLN 12 2HB GLN 12 -0.172 6.334 17.058 98 HB3 GLN 12 1HB GLN 12 -1.736 6.432 16.257 99 HG2 GLN 12 2HG GLN 12 -2.165 4.062 16.793 100 HG3 GLN 12 1HG GLN 12 -0.580 3.952 17.564 101 HE21 GLN 12 1HE2 GLN 12 -1.500 3.359 19.532 102 HE22 GLN 12 2HE2 GLN 12 -2.331 4.486 20.542 103 H ARG 13 H ARG 13 -2.052 6.322 13.591 104 HA ARG 13 HA ARG 13 -3.676 4.074 13.083 105 HB2 ARG 13 2HB ARG 13 -3.306 6.430 11.179 106 HB3 ARG 13 1HB ARG 13 -4.674 5.331 11.228 107 HG2 ARG 13 2HG ARG 13 -3.943 7.414 13.291 108 HG3 ARG 13 1HG ARG 13 -5.279 7.489 12.155 109 HD2 ARG 13 2HD ARG 13 -6.332 5.558 13.306 110 HD3 ARG 13 1HD ARG 13 -4.991 5.536 14.461 111 HE ARG 13 HE ARG 13 -6.149 8.118 14.377 112 HH11 ARG 13 1HH1 ARG 13 -6.873 4.890 15.611 113 HH12 ARG 13 2HH1 ARG 13 -7.887 5.488 16.886 114 HH21 ARG 13 1HH2 ARG 13 -7.499 8.866 16.029 115 HH22 ARG 13 2HH2 ARG 13 -8.238 7.733 17.118 116 H ILE 14 H ILE 14 -1.066 5.569 11.139 117 HA ILE 14 HA ILE 14 -1.071 3.967 8.874 118 HB ILE 14 HB ILE 14 1.257 5.400 10.245 119 HG12 ILE 14 2HG1 ILE 14 -0.332 6.251 7.787 120 HG13 ILE 14 1HG1 ILE 14 -0.671 6.813 9.415 121 HG21 ILE 14 1HG2 ILE 14 2.506 5.287 8.123 122 HG22 ILE 14 2HG2 ILE 14 1.238 4.275 7.428 123 HG23 ILE 14 3HG2 ILE 14 2.200 3.675 8.777 124 HD11 ILE 14 1HD1 ILE 14 0.583 8.462 8.172 125 HD12 ILE 14 2HD1 ILE 14 1.878 7.304 7.879 126 HD13 ILE 14 3HD1 ILE 14 1.540 7.855 9.522 127 H ALA 15 H ALA 15 0.600 3.452 11.965 128 HA ALA 15 HA ALA 15 2.131 1.169 11.212 129 HB1 ALA 15 1HB ALA 15 2.746 2.629 13.081 130 HB2 ALA 15 2HB ALA 15 2.583 0.959 13.618 131 HB3 ALA 15 3HB ALA 15 1.308 2.133 13.969 132 H LEU 16 H LEU 16 -0.953 1.552 12.979 133 HA LEU 16 HA LEU 16 -1.283 -1.256 13.515 134 HB2 LEU 16 2HB LEU 16 -3.225 1.072 13.777 135 HB3 LEU 16 1HB LEU 16 -3.556 -0.556 14.355 136 HG LEU 16 HG LEU 16 -1.330 1.260 15.371 137 HD11 LEU 16 1HD1 LEU 16 -2.620 1.393 17.445 138 HD12 LEU 16 2HD1 LEU 16 -3.915 0.436 16.721 139 HD13 LEU 16 3HD1 LEU 16 -3.533 2.037 16.081 140 HD21 LEU 16 1HD2 LEU 16 -0.638 -1.073 15.482 141 HD22 LEU 16 2HD2 LEU 16 -2.139 -1.516 16.300 142 HD23 LEU 16 3HD2 LEU 16 -0.970 -0.464 17.102 143 H LEU 17 H LEU 17 -2.343 0.937 11.013 144 HA LEU 17 HA LEU 17 -4.314 -0.772 9.845 145 HB2 LEU 17 2HB LEU 17 -2.881 1.674 8.723 146 HB3 LEU 17 1HB LEU 17 -4.135 0.804 7.849 147 HG LEU 17 HG LEU 17 -4.523 2.220 10.515 148 HD11 LEU 17 1HD1 LEU 17 -5.845 3.863 9.294 149 HD12 LEU 17 2HD1 LEU 17 -5.464 3.063 7.766 150 HD13 LEU 17 3HD1 LEU 17 -4.181 3.821 8.715 151 HD21 LEU 17 1HD2 LEU 17 -6.570 0.827 8.761 152 HD22 LEU 17 2HD2 LEU 17 -6.916 1.783 10.206 153 HD23 LEU 17 3HD2 LEU 17 -5.993 0.291 10.344 154 H SER 18 H SER 18 -0.921 0.089 9.002 155 HA SER 18 HA SER 18 -0.588 -1.524 6.755 156 HB2 SER 18 2HB SER 18 1.869 -1.457 7.268 157 HB3 SER 18 1HB SER 18 1.112 0.126 7.369 158 HG SER 18 HG SER 18 1.661 0.230 9.374 159 H GLN 19 H GLN 19 -0.030 -2.279 10.186 160 HA GLN 19 HA GLN 19 0.914 -4.907 9.940 161 HB2 GLN 19 2HB GLN 19 1.018 -3.482 12.000 162 HB3 GLN 19 1HB GLN 19 -0.713 -3.709 12.231 163 HG2 GLN 19 2HG GLN 19 -0.363 -6.120 12.559 164 HG3 GLN 19 1HG GLN 19 1.365 -5.920 12.258 165 HE21 GLN 19 1HE2 GLN 19 -1.198 -5.473 14.563 166 HE22 GLN 19 2HE2 GLN 19 -0.192 -5.040 15.900 167 H SER 20 H SER 20 -2.429 -3.706 10.423 168 HA SER 20 HA SER 20 -3.688 -6.244 10.592 169 HB2 SER 20 2HB SER 20 -4.856 -3.506 9.937 170 HB3 SER 20 1HB SER 20 -5.829 -4.955 10.204 171 HG SER 20 HG SER 20 -4.800 -5.109 12.279 172 H LEU 21 H LEU 21 -3.501 -3.947 7.836 173 HA LEU 21 HA LEU 21 -4.889 -5.659 6.052 174 HB2 LEU 21 2HB LEU 21 -4.365 -4.039 4.284 175 HB3 LEU 21 1HB LEU 21 -5.042 -3.290 5.711 176 HG LEU 21 HG LEU 21 -2.584 -2.661 6.321 177 HD11 LEU 21 1HD1 LEU 21 -2.159 -3.190 3.380 178 HD12 LEU 21 2HD1 LEU 21 -1.401 -4.043 4.725 179 HD13 LEU 21 3HD1 LEU 21 -1.044 -2.341 4.458 180 HD21 LEU 21 1HD2 LEU 21 -3.943 -1.300 3.983 181 HD22 LEU 21 2HD2 LEU 21 -2.686 -0.597 5.007 182 HD23 LEU 21 3HD2 LEU 21 -4.252 -1.008 5.696 183 H LEU 22 H LEU 22 -1.560 -5.425 6.982 184 HA LEU 22 HA LEU 22 -0.366 -6.849 4.850 185 HB2 LEU 22 2HB LEU 22 1.015 -5.747 6.571 186 HB3 LEU 22 1HB LEU 22 0.353 -6.804 7.812 187 HG LEU 22 HG LEU 22 1.411 -8.771 6.628 188 HD11 LEU 22 1HD1 LEU 22 3.134 -8.384 4.949 189 HD12 LEU 22 2HD1 LEU 22 2.754 -6.661 4.925 190 HD13 LEU 22 3HD1 LEU 22 1.557 -7.841 4.383 191 HD21 LEU 22 1HD2 LEU 22 2.485 -7.766 8.564 192 HD22 LEU 22 2HD2 LEU 22 3.320 -6.606 7.529 193 HD23 LEU 22 3HD2 LEU 22 3.686 -8.327 7.403 194 H GLU 23 H GLU 23 -1.664 -7.918 8.022 195 HA GLU 23 HA GLU 23 -1.490 -10.696 7.759 196 HB2 GLU 23 2HB GLU 23 -3.627 -9.074 9.227 197 HB3 GLU 23 1HB GLU 23 -3.314 -10.791 9.488 198 HG2 GLU 23 2HG GLU 23 -1.084 -10.308 10.341 199 HG3 GLU 23 1HG GLU 23 -1.273 -8.597 9.955 200 H LEU 24 H LEU 24 -3.952 -8.467 6.621 201 HA LEU 24 HA LEU 24 -5.835 -10.365 5.642 202 HB2 LEU 24 2HB LEU 24 -5.417 -7.448 4.861 203 HB3 LEU 24 1HB LEU 24 -6.832 -8.409 4.451 204 HG LEU 24 HG LEU 24 -5.978 -7.755 7.296 205 HD11 LEU 24 1HD1 LEU 24 -8.168 -6.446 5.673 206 HD12 LEU 24 2HD1 LEU 24 -6.636 -5.713 6.140 207 HD13 LEU 24 3HD1 LEU 24 -7.810 -6.152 7.377 208 HD21 LEU 24 1HD2 LEU 24 -8.198 -8.575 7.944 209 HD22 LEU 24 2HD2 LEU 24 -7.244 -9.833 7.165 210 HD23 LEU 24 3HD2 LEU 24 -8.532 -9.025 6.269 211 H ALA 25 H ALA 25 -3.169 -8.564 4.063 212 HA ALA 25 HA ALA 25 -3.634 -9.468 1.401 213 HB1 ALA 25 1HB ALA 25 -1.385 -8.593 0.916 214 HB2 ALA 25 2HB ALA 25 -1.040 -8.474 2.644 215 HB3 ALA 25 3HB ALA 25 -2.289 -7.459 1.920 216 H GLN 26 H GLN 26 -1.633 -10.702 4.042 217 HA GLN 26 HA GLN 26 -0.358 -12.826 2.629 218 HB2 GLN 26 2HB GLN 26 -0.882 -12.517 5.618 219 HB3 GLN 26 1HB GLN 26 0.237 -13.674 4.896 220 HG2 GLN 26 2HG GLN 26 1.632 -11.839 4.061 221 HG3 GLN 26 1HG GLN 26 0.492 -10.660 4.709 222 HE21 GLN 26 1HE2 GLN 26 0.324 -10.448 7.013 223 HE22 GLN 26 2HE2 GLN 26 1.611 -10.956 8.045 224 H ARG 27 H ARG 27 -3.362 -12.509 4.412 225 HA ARG 27 HA ARG 27 -4.127 -15.283 4.241 226 HB2 ARG 27 2HB ARG 27 -5.112 -12.884 5.580 227 HB3 ARG 27 1HB ARG 27 -6.448 -13.641 4.740 228 HG2 ARG 27 2HG ARG 27 -4.660 -15.003 6.777 229 HG3 ARG 27 1HG ARG 27 -6.292 -14.398 7.066 230 HD2 ARG 27 2HD ARG 27 -5.508 -16.659 5.195 231 HD3 ARG 27 1HD ARG 27 -6.371 -16.794 6.729 232 HE ARG 27 HE ARG 27 -7.672 -15.142 4.714 233 HH11 ARG 27 1HH1 ARG 27 -7.443 -18.396 6.067 234 HH12 ARG 27 2HH1 ARG 27 -8.992 -18.880 5.453 235 HH21 ARG 27 1HH2 ARG 27 -9.705 -15.800 3.942 236 HH22 ARG 27 2HH2 ARG 27 -10.268 -17.412 4.255 237 H GLY 28 H GLY 28 -4.135 -12.724 2.004 238 HA2 GLY 28 2HA GLY 28 -4.771 -12.736 -0.215 239 HA3 GLY 28 1HA GLY 28 -5.600 -14.263 0.030 240 H GLU 29 H GLU 29 -6.443 -11.941 2.312 241 HA GLU 29 HA GLU 29 -9.098 -11.528 1.291 242 HB2 GLU 29 2HB GLU 29 -7.766 -10.130 3.657 243 HB3 GLU 29 1HB GLU 29 -9.490 -10.271 3.341 244 HG2 GLU 29 2HG GLU 29 -7.584 -12.460 4.170 245 HG3 GLU 29 1HG GLU 29 -8.914 -11.784 5.109 246 H TRP 30 H TRP 30 -8.762 -10.442 -0.683 247 HA TRP 30 HA TRP 30 -7.149 -8.067 -0.878 248 HB2 TRP 30 2HB TRP 30 -9.146 -9.107 -2.934 249 HB3 TRP 30 1HB TRP 30 -7.815 -7.984 -3.221 250 HD1 TRP 30 HD1 TRP 30 -8.504 -11.307 -4.129 251 HE1 TRP 30 HE1 TRP 30 -6.434 -12.823 -4.202 252 HE3 TRP 30 HE3 TRP 30 -5.236 -8.424 -1.394 253 HZ2 TRP 30 HZ2 TRP 30 -3.802 -12.820 -3.237 254 HZ3 TRP 30 HZ3 TRP 30 -2.960 -9.272 -1.012 255 HH2 TRP 30 HH2 TRP 30 -2.262 -11.429 -1.919 256 H ASP 31 H ASP 31 -10.567 -8.763 -0.526 257 HA ASP 31 HA ASP 31 -11.630 -6.190 -1.063 258 HB2 ASP 31 2HB ASP 31 -12.765 -8.347 0.787 259 HB3 ASP 31 1HB ASP 31 -13.672 -7.016 0.078 260 H LEU 32 H LEU 32 -10.698 -7.820 1.939 261 HA LEU 32 HA LEU 32 -11.226 -5.669 3.724 262 HB2 LEU 32 2HB LEU 32 -9.511 -8.165 3.997 263 HB3 LEU 32 1HB LEU 32 -9.822 -7.063 5.328 264 HG LEU 32 HG LEU 32 -11.997 -8.597 3.846 265 HD11 LEU 32 1HD1 LEU 32 -12.139 -10.045 5.829 266 HD12 LEU 32 2HD1 LEU 32 -10.733 -9.234 6.528 267 HD13 LEU 32 3HD1 LEU 32 -10.568 -10.167 5.040 268 HD21 LEU 32 1HD2 LEU 32 -12.137 -6.983 6.417 269 HD22 LEU 32 2HD2 LEU 32 -13.455 -7.918 5.704 270 HD23 LEU 32 3HD2 LEU 32 -12.815 -6.515 4.854 271 H LEU 33 H LEU 33 -8.334 -6.712 1.946 272 HA LEU 33 HA LEU 33 -6.393 -4.992 3.042 273 HB2 LEU 33 2HB LEU 33 -5.802 -6.869 1.569 274 HB3 LEU 33 1HB LEU 33 -6.672 -6.136 0.235 275 HG LEU 33 HG LEU 33 -4.988 -4.243 0.243 276 HD11 LEU 33 1HD1 LEU 33 -2.856 -4.540 1.405 277 HD12 LEU 33 2HD1 LEU 33 -3.488 -5.975 2.215 278 HD13 LEU 33 3HD1 LEU 33 -4.203 -4.392 2.531 279 HD21 LEU 33 1HD2 LEU 33 -3.207 -5.493 -0.877 280 HD22 LEU 33 2HD2 LEU 33 -4.797 -6.074 -1.366 281 HD23 LEU 33 3HD2 LEU 33 -3.834 -7.007 -0.217 282 H LEU 34 H LEU 34 -8.570 -4.558 0.241 283 HA LEU 34 HA LEU 34 -7.629 -1.983 -0.541 284 HB2 LEU 34 2HB LEU 34 -10.184 -3.487 -1.222 285 HB3 LEU 34 1HB LEU 34 -9.725 -1.969 -1.981 286 HG LEU 34 HG LEU 34 -8.137 -4.560 -2.157 287 HD11 LEU 34 1HD1 LEU 34 -8.864 -4.663 -4.491 288 HD12 LEU 34 2HD1 LEU 34 -9.877 -3.236 -4.252 289 HD13 LEU 34 3HD1 LEU 34 -10.235 -4.733 -3.384 290 HD21 LEU 34 1HD2 LEU 34 -6.809 -3.402 -3.875 291 HD22 LEU 34 2HD2 LEU 34 -6.658 -2.642 -2.296 292 HD23 LEU 34 3HD2 LEU 34 -7.674 -1.903 -3.536 293 H GLN 35 H GLN 35 -10.181 -3.097 1.614 294 HA GLN 35 HA GLN 35 -11.584 -0.707 2.058 295 HB2 GLN 35 2HB GLN 35 -12.297 -2.935 2.956 296 HB3 GLN 35 1HB GLN 35 -10.947 -2.906 4.085 297 HG2 GLN 35 2HG GLN 35 -12.987 -2.300 5.252 298 HG3 GLN 35 1HG GLN 35 -11.925 -0.898 5.179 299 HE21 GLN 35 1HE2 GLN 35 -13.958 -2.041 2.490 300 HE22 GLN 35 2HE2 GLN 35 -15.004 -0.669 2.496 301 H GLN 36 H GLN 36 -8.631 -1.984 3.540 302 HA GLN 36 HA GLN 36 -8.270 0.339 5.259 303 HB2 GLN 36 2HB GLN 36 -6.573 -2.172 4.948 304 HB3 GLN 36 1HB GLN 36 -6.354 -0.932 6.177 305 HG2 GLN 36 2HG GLN 36 -8.741 -2.774 5.885 306 HG3 GLN 36 1HG GLN 36 -7.488 -2.865 7.124 307 HE21 GLN 36 1HE2 GLN 36 -10.387 -2.577 7.433 308 HE22 GLN 36 2HE2 GLN 36 -10.626 -1.125 8.340 309 H GLU 37 H GLU 37 -7.309 -0.567 2.093 310 HA GLU 37 HA GLU 37 -4.775 0.523 1.741 311 HB2 GLU 37 2HB GLU 37 -5.915 -0.640 -0.090 312 HB3 GLU 37 1HB GLU 37 -7.172 0.589 -0.145 313 HG2 GLU 37 2HG GLU 37 -5.347 2.257 -0.796 314 HG3 GLU 37 1HG GLU 37 -4.268 0.878 -0.980 315 H VAL 38 H VAL 38 -7.917 2.172 1.412 316 HA VAL 38 HA VAL 38 -6.907 4.692 0.670 317 HB VAL 38 HB VAL 38 -9.227 5.559 1.206 318 HG11 VAL 38 1HG1 VAL 38 -9.100 3.061 -0.519 319 HG12 VAL 38 2HG1 VAL 38 -8.667 4.697 -1.021 320 HG13 VAL 38 3HG1 VAL 38 -10.339 4.317 -0.608 321 HG21 VAL 38 1HG2 VAL 38 -11.006 3.955 1.799 322 HG22 VAL 38 2HG2 VAL 38 -9.795 4.051 3.079 323 HG23 VAL 38 3HG2 VAL 38 -9.807 2.670 1.980 324 H SER 39 H SER 39 -7.877 3.425 3.855 325 HA SER 39 HA SER 39 -7.632 5.861 5.294 326 HB2 SER 39 2HB SER 39 -7.612 4.317 7.313 327 HB3 SER 39 1HB SER 39 -8.969 4.065 6.215 328 HG SER 39 HG SER 39 -7.812 2.126 6.966 329 H TYR 40 H TYR 40 -5.455 3.136 4.729 330 HA TYR 40 HA TYR 40 -3.295 3.877 6.372 331 HB2 TYR 40 2HB TYR 40 -3.570 1.606 5.595 332 HB3 TYR 40 1HB TYR 40 -3.531 2.106 3.909 333 HD1 TYR 40 HD1 TYR 40 -1.290 2.664 6.875 334 HD2 TYR 40 HD2 TYR 40 -1.621 1.283 2.841 335 HE1 TYR 40 HE1 TYR 40 1.096 2.154 6.849 336 HE2 TYR 40 HE2 TYR 40 0.783 0.770 2.818 337 HH TYR 40 HH TYR 40 2.840 1.551 4.078 338 H LEU 41 H LEU 41 -3.467 4.021 2.786 339 HA LEU 41 HA LEU 41 -1.039 5.345 2.391 340 HB2 LEU 41 2HB LEU 41 -3.474 5.128 0.578 341 HB3 LEU 41 1HB LEU 41 -1.961 5.853 0.056 342 HG LEU 41 HG LEU 41 -2.328 2.950 0.914 343 HD11 LEU 41 1HD1 LEU 41 -1.836 4.116 -1.844 344 HD12 LEU 41 2HD1 LEU 41 -3.348 3.413 -1.264 345 HD13 LEU 41 3HD1 LEU 41 -1.919 2.399 -1.440 346 HD21 LEU 41 1HD2 LEU 41 -0.002 2.616 0.163 347 HD22 LEU 41 2HD2 LEU 41 -0.089 3.734 1.520 348 HD23 LEU 41 3HD2 LEU 41 0.170 4.352 -0.116 349 H GLN 42 H GLN 42 -4.379 6.670 2.642 350 HA GLN 42 HA GLN 42 -3.711 9.351 2.036 351 HB2 GLN 42 2HB GLN 42 -6.024 8.537 1.957 352 HB3 GLN 42 1HB GLN 42 -6.025 8.255 3.687 353 HG2 GLN 42 2HG GLN 42 -5.621 11.045 2.590 354 HG3 GLN 42 1HG GLN 42 -7.234 10.362 2.730 355 HE21 GLN 42 1HE2 GLN 42 -6.676 8.925 5.235 356 HE22 GLN 42 2HE2 GLN 42 -6.601 10.136 6.462 357 H SER 43 H SER 43 -3.821 7.608 5.179 358 HA SER 43 HA SER 43 -3.271 9.794 6.849 359 HB2 SER 43 2HB SER 43 -2.563 6.860 7.204 360 HB3 SER 43 1HB SER 43 -2.381 8.076 8.474 361 HG SER 43 HG SER 43 -4.576 6.743 7.739 362 H ILE 44 H ILE 44 -1.027 7.663 5.078 363 HA ILE 44 HA ILE 44 1.429 8.748 5.993 364 HB ILE 44 HB ILE 44 0.819 7.533 3.253 365 HG12 ILE 44 2HG1 ILE 44 1.911 6.178 5.761 366 HG13 ILE 44 1HG1 ILE 44 0.274 5.997 5.144 367 HG21 ILE 44 1HG2 ILE 44 3.487 7.957 4.643 368 HG22 ILE 44 2HG2 ILE 44 2.921 8.788 3.192 369 HG23 ILE 44 3HG2 ILE 44 3.259 7.059 3.143 370 HD11 ILE 44 1HD1 ILE 44 2.797 5.099 3.750 371 HD12 ILE 44 2HD1 ILE 44 1.154 4.936 3.120 372 HD13 ILE 44 3HD1 ILE 44 1.626 4.080 4.587 373 H GLU 45 H GLU 45 -0.574 9.522 3.169 374 HA GLU 45 HA GLU 45 1.088 11.483 2.007 375 HB2 GLU 45 2HB GLU 45 -1.910 11.011 1.688 376 HB3 GLU 45 1HB GLU 45 -0.945 12.052 0.641 377 HG2 GLU 45 2HG GLU 45 0.383 10.146 -0.119 378 HG3 GLU 45 1HG GLU 45 -0.449 9.079 1.010 379 H THR 46 H THR 46 -1.433 11.702 4.470 380 HA THR 46 HA THR 46 -1.648 14.593 4.235 381 HB THR 46 HB THR 46 -3.683 13.205 4.675 382 HG1 THR 46 HG1 THR 46 -3.392 15.501 5.254 383 HG21 THR 46 1HG2 THR 46 -2.584 12.943 7.495 384 HG22 THR 46 2HG2 THR 46 -2.699 11.623 6.334 385 HG23 THR 46 3HG2 THR 46 -4.167 12.398 6.929 386 H VAL 47 H VAL 47 -0.022 12.295 6.473 387 HA VAL 47 HA VAL 47 0.847 14.378 8.272 388 HB VAL 47 HB VAL 47 2.608 12.842 9.097 389 HG11 VAL 47 1HG1 VAL 47 -0.079 11.465 8.816 390 HG12 VAL 47 2HG1 VAL 47 0.356 12.662 10.036 391 HG13 VAL 47 3HG1 VAL 47 1.158 11.089 10.023 392 HG21 VAL 47 1HG2 VAL 47 2.834 10.537 8.241 393 HG22 VAL 47 2HG2 VAL 47 3.244 11.730 7.006 394 HG23 VAL 47 3HG2 VAL 47 1.687 10.904 6.947 395 H MET 48 H MET 48 1.968 13.135 5.175 396 HA MET 48 HA MET 48 4.364 14.769 5.143 397 HB2 MET 48 2HB MET 48 3.053 13.070 2.996 398 HB3 MET 48 1HB MET 48 4.560 13.955 2.764 399 HG2 MET 48 2HG MET 48 4.078 11.719 4.751 400 HG3 MET 48 1HG MET 48 5.060 11.652 3.286 401 HE1 MET 48 1HE MET 48 7.767 11.468 6.176 402 HE2 MET 48 2HE MET 48 7.183 10.694 4.702 403 HE3 MET 48 3HE MET 48 6.173 10.716 6.150 404 H GLU 49 H GLU 49 1.028 15.312 4.267 405 HA GLU 49 HA GLU 49 1.408 17.692 2.731 406 HB2 GLU 49 2HB GLU 49 -0.870 16.952 4.633 407 HB3 GLU 49 1HB GLU 49 -0.884 18.372 3.598 408 HG2 GLU 49 2HG GLU 49 -0.864 15.491 2.676 409 HG3 GLU 49 1HG GLU 49 -2.250 16.579 2.668 410 H LYS 50 H LYS 50 1.519 16.916 6.129 411 HA LYS 50 HA LYS 50 1.910 19.682 7.001 412 HB2 LYS 50 2HB LYS 50 1.814 17.081 8.602 413 HB3 LYS 50 1HB LYS 50 1.879 18.700 9.292 414 HG2 LYS 50 2HG LYS 50 -0.377 17.539 7.638 415 HG3 LYS 50 1HG LYS 50 -0.402 17.838 9.377 416 HD2 LYS 50 2HD LYS 50 -0.190 20.278 8.949 417 HD3 LYS 50 1HD LYS 50 -0.151 19.966 7.213 418 HE2 LYS 50 2HE LYS 50 -2.447 19.037 7.347 419 HE3 LYS 50 1HE LYS 50 -2.488 19.411 9.072 420 HZ1 LYS 50 1HZ LYS 50 -3.575 21.143 7.840 421 HZ2 LYS 50 2HZ LYS 50 -2.229 21.359 6.849 422 HZ3 LYS 50 3HZ LYS 50 -2.141 21.765 8.484 423 H GLN 51 H GLN 51 3.797 17.541 5.517 424 HA GLN 51 HA GLN 51 5.965 17.011 5.273 425 HB2 GLN 51 2HB GLN 51 7.518 18.951 5.188 426 HB3 GLN 51 1HB GLN 51 5.989 19.281 4.391 427 HG2 GLN 51 2HG GLN 51 5.257 20.632 6.305 428 HG3 GLN 51 1HG GLN 51 6.750 20.253 7.160 429 HE21 GLN 51 1HE2 GLN 51 8.671 21.320 6.542 430 HE22 GLN 51 2HE2 GLN 51 8.668 22.683 5.481 431 H THR 52 H THR 52 5.018 16.306 7.906 432 HA THR 52 HA THR 52 5.576 15.808 10.035 433 HB THR 52 HB THR 52 8.344 15.679 8.778 434 HG1 THR 52 HG1 THR 52 7.403 13.944 8.026 435 HG21 THR 52 1HG2 THR 52 7.555 14.723 11.559 436 HG22 THR 52 2HG2 THR 52 8.697 16.012 11.184 437 HG23 THR 52 3HG2 THR 52 9.076 14.348 10.747 438 HA PRO 53 HA PRO 53 6.148 20.240 11.316 439 HB2 PRO 53 2HB PRO 53 5.047 19.734 13.883 440 HB3 PRO 53 1HB PRO 53 4.130 20.265 12.462 441 HG2 PRO 53 2HG PRO 53 4.474 17.491 13.546 442 HG3 PRO 53 1HG PRO 53 3.024 18.267 12.861 443 HD2 PRO 53 2HD PRO 53 4.437 16.527 11.398 444 HD3 PRO 53 1HD PRO 53 3.752 17.986 10.647 445 HA PRO 54 HA PRO 54 10.079 19.103 13.199 446 HB2 PRO 54 2HB PRO 54 11.203 21.563 13.499 447 HB3 PRO 54 1HB PRO 54 10.938 20.845 11.895 448 HG2 PRO 54 2HG PRO 54 9.257 22.874 13.342 449 HG3 PRO 54 1HG PRO 54 9.795 22.869 11.648 450 HD2 PRO 54 2HD PRO 54 7.299 22.046 12.396 451 HD3 PRO 54 1HD PRO 54 8.140 21.369 10.983 452 H GLY 55 H GLY 55 7.681 20.950 14.864 453 HA2 GLY 55 2HA GLY 55 9.028 21.150 17.427 454 HA3 GLY 55 1HA GLY 55 7.341 21.499 17.074 455 H ILE 56 H ILE 56 9.557 18.718 17.191 456 HA ILE 56 HA ILE 56 7.495 17.052 18.537 457 HB ILE 56 HB ILE 56 9.532 16.171 16.434 458 HG12 ILE 56 2HG1 ILE 56 7.641 17.272 15.365 459 HG13 ILE 56 1HG1 ILE 56 7.545 15.547 15.042 460 HG21 ILE 56 1HG2 ILE 56 8.552 13.909 16.606 461 HG22 ILE 56 2HG2 ILE 56 7.545 14.451 17.948 462 HG23 ILE 56 3HG2 ILE 56 9.300 14.422 18.121 463 HD11 ILE 56 1HD1 ILE 56 5.821 15.376 16.822 464 HD12 ILE 56 2HD1 ILE 56 5.367 16.413 15.470 465 HD13 ILE 56 3HD1 ILE 56 5.887 17.133 16.993 466 H THR 57 H THR 57 8.196 16.612 20.565 467 HA THR 57 HA THR 57 10.955 16.777 21.386 468 HB THR 57 HB THR 57 9.170 17.322 23.002 469 HG1 THR 57 HG1 THR 57 10.237 16.446 24.649 470 HG21 THR 57 1HG2 THR 57 7.748 15.580 24.016 471 HG22 THR 57 2HG2 THR 57 8.388 14.385 22.883 472 HG23 THR 57 3HG2 THR 57 7.420 15.737 22.289 473 H ARG 58 H ARG 58 11.964 14.851 22.582 474 HA ARG 58 HA ARG 58 12.411 12.845 20.609 475 HB2 ARG 58 2HB ARG 58 14.143 11.977 22.014 476 HB3 ARG 58 1HB ARG 58 14.187 13.721 22.202 477 HG2 ARG 58 2HG ARG 58 12.899 11.825 24.196 478 HG3 ARG 58 1HG ARG 58 14.554 12.418 24.318 479 HD2 ARG 58 2HD ARG 58 12.041 14.116 24.389 480 HD3 ARG 58 1HD ARG 58 13.046 13.682 25.775 481 HE ARG 58 HE ARG 58 14.719 14.937 23.946 482 HH11 ARG 58 1HH1 ARG 58 11.925 15.834 25.916 483 HH12 ARG 58 2HH1 ARG 58 12.397 17.502 26.028 484 HH21 ARG 58 1HH2 ARG 58 15.294 17.133 24.082 485 HH22 ARG 58 2HH2 ARG 58 14.304 18.233 24.989 486 H SER 59 H SER 59 10.249 13.015 23.315 487 HA SER 59 HA SER 59 9.796 10.227 23.720 488 HB2 SER 59 2HB SER 59 9.201 11.903 25.424 489 HB3 SER 59 1HB SER 59 8.037 12.641 24.326 490 HG SER 59 HG SER 59 6.686 11.313 25.204 491 H ILE 60 H ILE 60 7.972 12.738 21.927 492 HA ILE 60 HA ILE 60 6.051 11.049 20.727 493 HB ILE 60 HB ILE 60 7.104 13.761 19.782 494 HG12 ILE 60 2HG1 ILE 60 4.587 13.108 21.387 495 HG13 ILE 60 1HG1 ILE 60 6.071 13.760 22.070 496 HG21 ILE 60 1HG2 ILE 60 5.011 13.943 18.457 497 HG22 ILE 60 2HG2 ILE 60 4.592 12.290 18.909 498 HG23 ILE 60 3HG2 ILE 60 6.016 12.596 17.915 499 HD11 ILE 60 1HD1 ILE 60 4.413 15.485 21.795 500 HD12 ILE 60 2HD1 ILE 60 4.291 15.141 20.069 501 HD13 ILE 60 3HD1 ILE 60 5.792 15.787 20.740 502 H GLN 61 H GLN 61 9.188 12.268 19.665 503 HA GLN 61 HA GLN 61 9.418 11.229 17.106 504 HB2 GLN 61 2HB GLN 61 10.988 12.860 17.976 505 HB3 GLN 61 1HB GLN 61 11.515 11.765 19.248 506 HG2 GLN 61 2HG GLN 61 12.497 10.275 17.511 507 HG3 GLN 61 1HG GLN 61 12.018 11.443 16.279 508 HE21 GLN 61 1HE2 GLN 61 13.176 13.380 16.088 509 HE22 GLN 61 2HE2 GLN 61 14.673 13.647 16.906 510 H ASP 62 H ASP 62 10.157 9.701 20.247 511 HA ASP 62 HA ASP 62 11.288 7.287 19.299 512 HB2 ASP 62 2HB ASP 62 11.582 7.959 21.628 513 HB3 ASP 62 1HB ASP 62 9.843 7.942 21.908 514 H MET 63 H MET 63 7.944 8.107 20.275 515 HA MET 63 HA MET 63 6.719 5.604 19.876 516 HB2 MET 63 2HB MET 63 5.476 8.359 19.540 517 HB3 MET 63 1HB MET 63 4.574 6.854 19.670 518 HG2 MET 63 2HG MET 63 5.583 6.551 21.950 519 HG3 MET 63 1HG MET 63 6.241 8.184 21.803 520 HE1 MET 63 1HE MET 63 3.689 9.441 20.000 521 HE2 MET 63 2HE MET 63 4.576 10.337 21.238 522 HE3 MET 63 3HE MET 63 2.821 10.218 21.323 523 H VAL 64 H VAL 64 6.921 8.389 17.659 524 HA VAL 64 HA VAL 64 5.482 7.059 15.589 525 HB VAL 64 HB VAL 64 5.892 9.008 14.185 526 HG11 VAL 64 1HG1 VAL 64 5.138 9.788 17.030 527 HG12 VAL 64 2HG1 VAL 64 4.062 9.060 15.836 528 HG13 VAL 64 3HG1 VAL 64 4.716 10.672 15.558 529 HG21 VAL 64 1HG2 VAL 64 8.225 9.492 14.835 530 HG22 VAL 64 2HG2 VAL 64 7.676 10.065 16.409 531 HG23 VAL 64 3HG2 VAL 64 7.209 10.929 14.941 532 H ALA 65 H ALA 65 8.942 7.483 16.237 533 HA ALA 65 HA ALA 65 9.937 6.535 13.763 534 HB1 ALA 65 1HB ALA 65 11.186 6.199 16.516 535 HB2 ALA 65 2HB ALA 65 11.409 7.584 15.446 536 HB3 ALA 65 3HB ALA 65 12.016 5.998 14.967 537 H GLY 66 H GLY 66 8.886 4.852 16.729 538 HA2 GLY 66 2HA GLY 66 9.346 2.174 15.927 539 HA3 GLY 66 1HA GLY 66 8.141 2.703 17.095 540 H TYR 67 H TYR 67 6.575 4.355 15.431 541 HA TYR 67 HA TYR 67 4.822 2.470 14.238 542 HB2 TYR 67 2HB TYR 67 4.851 5.510 14.002 543 HB3 TYR 67 1HB TYR 67 3.536 4.477 13.449 544 HD1 TYR 67 HD1 TYR 67 3.748 6.791 15.687 545 HD2 TYR 67 HD2 TYR 67 3.398 2.530 15.819 546 HE1 TYR 67 HE1 TYR 67 2.694 6.955 17.887 547 HE2 TYR 67 HE2 TYR 67 2.317 2.705 18.033 548 HH TYR 67 HH TYR 67 1.213 5.699 19.328 549 H ILE 68 H ILE 68 7.263 4.671 12.886 550 HA ILE 68 HA ILE 68 6.597 4.262 10.128 551 HB ILE 68 HB ILE 68 9.289 5.229 11.226 552 HG12 ILE 68 2HG1 ILE 68 6.945 6.929 10.270 553 HG13 ILE 68 1HG1 ILE 68 7.371 6.689 11.948 554 HG21 ILE 68 1HG2 ILE 68 9.415 4.467 8.882 555 HG22 ILE 68 2HG2 ILE 68 9.601 6.219 8.962 556 HG23 ILE 68 3HG2 ILE 68 8.065 5.517 8.448 557 HD11 ILE 68 1HD1 ILE 68 8.151 8.831 11.156 558 HD12 ILE 68 2HD1 ILE 68 9.088 8.049 9.882 559 HD13 ILE 68 3HD1 ILE 68 9.514 7.795 11.577 560 H LYS 69 H LYS 69 8.878 2.817 12.418 561 HA LYS 69 HA LYS 69 10.332 1.132 10.719 562 HB2 LYS 69 2HB LYS 69 10.822 1.684 13.146 563 HB3 LYS 69 1HB LYS 69 9.528 0.606 13.623 564 HG2 LYS 69 2HG LYS 69 11.944 -0.351 12.053 565 HG3 LYS 69 1HG LYS 69 11.943 -0.265 13.811 566 HD2 LYS 69 2HD LYS 69 10.160 -1.995 12.062 567 HD3 LYS 69 1HD LYS 69 11.475 -2.539 13.102 568 HE2 LYS 69 2HE LYS 69 8.887 -1.260 14.062 569 HE3 LYS 69 1HE LYS 69 9.271 -2.979 14.105 570 HZ1 LYS 69 1HZ LYS 69 11.021 -2.570 15.639 571 HZ2 LYS 69 2HZ LYS 69 9.614 -1.854 16.239 572 HZ3 LYS 69 3HZ LYS 69 10.818 -0.898 15.535 573 H GLN 70 H GLN 70 7.265 0.556 12.503 574 HA GLN 70 HA GLN 70 6.730 -2.078 11.704 575 HB2 GLN 70 2HB GLN 70 4.728 0.146 12.263 576 HB3 GLN 70 1HB GLN 70 4.325 -1.566 12.152 577 HG2 GLN 70 2HG GLN 70 5.797 -1.977 14.127 578 HG3 GLN 70 1HG GLN 70 6.041 -0.234 14.257 579 HE21 GLN 70 1HE2 GLN 70 2.967 -1.811 13.353 580 HE22 GLN 70 2HE2 GLN 70 2.122 -1.314 14.774 581 H THR 71 H THR 71 5.655 1.016 10.280 582 HA THR 71 HA THR 71 4.011 -0.176 8.327 583 HB THR 71 HB THR 71 3.771 2.191 9.245 584 HG1 THR 71 HG1 THR 71 3.583 1.485 6.523 585 HG21 THR 71 1HG2 THR 71 4.857 4.029 8.058 586 HG22 THR 71 2HG2 THR 71 5.808 2.889 7.103 587 HG23 THR 71 3HG2 THR 71 6.073 3.019 8.840 588 H LEU 72 H LEU 72 7.414 0.793 8.276 589 HA LEU 72 HA LEU 72 7.846 0.573 5.470 590 HB2 LEU 72 2HB LEU 72 9.759 0.343 7.826 591 HB3 LEU 72 1HB LEU 72 10.303 0.228 6.159 592 HG LEU 72 HG LEU 72 8.945 2.672 7.367 593 HD11 LEU 72 1HD1 LEU 72 11.152 3.730 7.280 594 HD12 LEU 72 2HD1 LEU 72 11.877 2.221 6.719 595 HD13 LEU 72 3HD1 LEU 72 11.167 2.318 8.334 596 HD21 LEU 72 1HD2 LEU 72 10.214 2.256 4.634 597 HD22 LEU 72 2HD2 LEU 72 9.636 3.796 5.273 598 HD23 LEU 72 3HD2 LEU 72 8.496 2.488 4.976 599 H ASP 73 H ASP 73 8.284 -1.698 8.178 600 HA ASP 73 HA ASP 73 9.338 -3.896 6.769 601 HB2 ASP 73 2HB ASP 73 9.412 -3.774 9.220 602 HB3 ASP 73 1HB ASP 73 7.657 -3.767 9.317 603 H ASN 74 H ASN 74 5.985 -3.139 7.707 604 HA ASN 74 HA ASN 74 4.779 -5.471 6.673 605 HB2 ASN 74 2HB ASN 74 3.494 -2.774 7.264 606 HB3 ASN 74 1HB ASN 74 2.636 -4.301 7.077 607 HD21 ASN 74 1HD2 ASN 74 4.787 -5.780 8.653 608 HD22 ASN 74 2HD2 ASN 74 4.471 -5.346 10.289 609 H GLU 75 H GLU 75 5.131 -2.191 5.370 610 HA GLU 75 HA GLU 75 3.629 -2.578 2.982 611 HB2 GLU 75 2HB GLU 75 3.956 -0.401 4.042 612 HB3 GLU 75 1HB GLU 75 5.687 -0.489 3.754 613 HG2 GLU 75 2HG GLU 75 5.353 -0.271 1.364 614 HG3 GLU 75 1HG GLU 75 3.601 -0.366 1.561 615 H GLN 76 H GLN 76 6.986 -3.133 3.823 616 HA GLN 76 HA GLN 76 8.028 -3.452 1.184 617 HB2 GLN 76 2HB GLN 76 9.473 -3.116 3.179 618 HB3 GLN 76 1HB GLN 76 8.973 -4.678 3.815 619 HG2 GLN 76 2HG GLN 76 10.030 -5.799 1.893 620 HG3 GLN 76 1HG GLN 76 10.507 -4.238 1.239 621 HE21 GLN 76 1HE2 GLN 76 10.670 -5.128 4.668 622 HE22 GLN 76 2HE2 GLN 76 12.393 -5.097 4.757 623 H LEU 77 H LEU 77 6.641 -5.666 3.591 624 HA LEU 77 HA LEU 77 6.824 -8.047 2.044 625 HB2 LEU 77 2HB LEU 77 4.935 -7.365 4.317 626 HB3 LEU 77 1HB LEU 77 5.188 -8.980 3.672 627 HG LEU 77 HG LEU 77 7.268 -7.293 5.121 628 HD11 LEU 77 1HD1 LEU 77 5.814 -9.790 6.038 629 HD12 LEU 77 2HD1 LEU 77 5.534 -8.146 6.618 630 HD13 LEU 77 3HD1 LEU 77 7.081 -8.930 6.921 631 HD21 LEU 77 1HD2 LEU 77 8.710 -9.288 5.039 632 HD22 LEU 77 2HD2 LEU 77 8.356 -8.673 3.429 633 HD23 LEU 77 3HD2 LEU 77 7.523 -10.114 4.023 634 H LEU 78 H LEU 78 4.341 -5.509 2.309 635 HA LEU 78 HA LEU 78 2.323 -6.663 0.699 636 HB2 LEU 78 2HB LEU 78 3.094 -3.726 0.971 637 HB3 LEU 78 1HB LEU 78 1.627 -4.293 0.191 638 HG LEU 78 HG LEU 78 2.281 -4.662 3.134 639 HD11 LEU 78 1HD1 LEU 78 0.650 -2.928 3.567 640 HD12 LEU 78 2HD1 LEU 78 0.335 -2.728 1.842 641 HD13 LEU 78 3HD1 LEU 78 1.912 -2.299 2.512 642 HD21 LEU 78 1HD2 LEU 78 -0.057 -5.392 3.358 643 HD22 LEU 78 2HD2 LEU 78 0.844 -6.458 2.285 644 HD23 LEU 78 3HD2 LEU 78 -0.276 -5.273 1.609 645 H LYS 79 H LYS 79 5.081 -4.575 -0.100 646 HA LYS 79 HA LYS 79 4.645 -4.149 -2.799 647 HB2 LYS 79 2HB LYS 79 6.275 -2.900 -1.478 648 HB3 LYS 79 1HB LYS 79 7.250 -4.346 -1.240 649 HG2 LYS 79 2HG LYS 79 7.884 -4.390 -3.576 650 HG3 LYS 79 1HG LYS 79 6.758 -3.082 -3.961 651 HD2 LYS 79 2HD LYS 79 8.066 -1.488 -2.680 652 HD3 LYS 79 1HD LYS 79 9.094 -2.771 -2.037 653 HE2 LYS 79 2HE LYS 79 10.237 -1.503 -3.810 654 HE3 LYS 79 1HE LYS 79 10.003 -3.189 -4.280 655 HZ1 LYS 79 1HZ LYS 79 8.367 -0.875 -5.169 656 HZ2 LYS 79 2HZ LYS 79 8.066 -2.486 -5.571 657 HZ3 LYS 79 3HZ LYS 79 9.478 -1.741 -6.101 658 H GLY 80 H GLY 80 6.635 -6.735 -1.267 659 HA2 GLY 80 2HA GLY 80 7.363 -8.071 -3.669 660 HA3 GLY 80 1HA GLY 80 7.450 -8.741 -2.052 661 H LEU 81 H LEU 81 4.785 -8.752 -1.304 662 HA LEU 81 HA LEU 81 3.941 -11.228 -2.387 663 HB2 LEU 81 2HB LEU 81 3.593 -10.330 -0.045 664 HB3 LEU 81 1HB LEU 81 2.336 -9.289 -0.673 665 HG LEU 81 HG LEU 81 2.162 -12.335 -0.844 666 HD11 LEU 81 1HD1 LEU 81 0.771 -12.290 1.167 667 HD12 LEU 81 2HD1 LEU 81 1.062 -10.558 1.356 668 HD13 LEU 81 3HD1 LEU 81 2.398 -11.704 1.510 669 HD21 LEU 81 1HD2 LEU 81 -0.009 -10.208 -1.003 670 HD22 LEU 81 2HD2 LEU 81 -0.275 -11.955 -1.043 671 HD23 LEU 81 3HD2 LEU 81 0.608 -11.168 -2.349 672 H LEU 82 H LEU 82 2.496 -7.967 -2.586 673 HA LEU 82 HA LEU 82 0.400 -8.636 -4.350 674 HB2 LEU 82 2HB LEU 82 1.627 -5.885 -3.909 675 HB3 LEU 82 1HB LEU 82 0.063 -6.210 -4.638 676 HG LEU 82 HG LEU 82 0.841 -6.642 -1.728 677 HD11 LEU 82 1HD1 LEU 82 -1.135 -4.710 -2.979 678 HD12 LEU 82 2HD1 LEU 82 0.441 -4.306 -2.291 679 HD13 LEU 82 3HD1 LEU 82 -0.838 -4.920 -1.249 680 HD21 LEU 82 1HD2 LEU 82 -0.635 -8.459 -2.401 681 HD22 LEU 82 2HD2 LEU 82 -1.804 -7.306 -3.052 682 HD23 LEU 82 3HD2 LEU 82 -1.469 -7.347 -1.320 683 H GLN 83 H GLN 83 3.772 -7.627 -4.914 684 HA GLN 83 HA GLN 83 3.631 -7.071 -7.675 685 HB2 GLN 83 2HB GLN 83 5.624 -6.598 -6.250 686 HB3 GLN 83 1HB GLN 83 5.950 -8.320 -6.139 687 HG2 GLN 83 2HG GLN 83 6.290 -8.353 -8.620 688 HG3 GLN 83 1HG GLN 83 6.080 -6.604 -8.634 689 HE21 GLN 83 1HE2 GLN 83 7.806 -8.400 -6.110 690 HE22 GLN 83 2HE2 GLN 83 9.360 -7.746 -6.477 691 H GLN 84 H GLN 84 4.172 -10.130 -5.937 692 HA GLN 84 HA GLN 84 4.358 -11.878 -8.145 693 HB2 GLN 84 2HB GLN 84 3.308 -12.382 -5.332 694 HB3 GLN 84 1HB GLN 84 3.622 -13.655 -6.511 695 HG2 GLN 84 2HG GLN 84 5.999 -13.008 -6.580 696 HG3 GLN 84 1HG GLN 84 5.689 -11.741 -5.397 697 HE21 GLN 84 1HE2 GLN 84 4.253 -14.983 -5.272 698 HE22 GLN 84 2HE2 GLN 84 5.103 -15.475 -3.851 699 H ARG 85 H ARG 85 1.535 -10.759 -6.266 700 HA ARG 85 HA ARG 85 -0.435 -12.353 -7.482 701 HB2 ARG 85 2HB ARG 85 -0.817 -9.593 -6.240 702 HB3 ARG 85 1HB ARG 85 -2.091 -10.765 -6.550 703 HG2 ARG 85 2HG ARG 85 0.201 -11.130 -4.608 704 HG3 ARG 85 1HG ARG 85 -1.447 -10.678 -4.179 705 HD2 ARG 85 2HD ARG 85 -1.291 -12.982 -3.699 706 HD3 ARG 85 1HD ARG 85 -2.176 -12.906 -5.217 707 HE ARG 85 HE ARG 85 -0.237 -13.707 -6.344 708 HH11 ARG 85 1HH1 ARG 85 0.037 -13.888 -2.829 709 HH12 ARG 85 2HH1 ARG 85 1.308 -15.066 -2.885 710 HH21 ARG 85 1HH2 ARG 85 1.379 -15.275 -6.376 711 HH22 ARG 85 2HH2 ARG 85 2.062 -15.846 -4.884 712 H LEU 86 H LEU 86 0.659 -9.058 -8.233 713 HA LEU 86 HA LEU 86 -1.155 -8.494 -10.322 714 HB2 LEU 86 2HB LEU 86 1.588 -7.297 -9.725 715 HB3 LEU 86 1HB LEU 86 0.493 -6.666 -10.945 716 HG LEU 86 HG LEU 86 -0.001 -6.719 -7.946 717 HD11 LEU 86 1HD1 LEU 86 0.075 -4.276 -8.094 718 HD12 LEU 86 2HD1 LEU 86 0.445 -4.377 -9.819 719 HD13 LEU 86 3HD1 LEU 86 1.592 -4.998 -8.628 720 HD21 LEU 86 1HD2 LEU 86 -1.836 -5.753 -10.159 721 HD22 LEU 86 2HD2 LEU 86 -2.082 -5.480 -8.434 722 HD23 LEU 86 3HD2 LEU 86 -2.107 -7.119 -9.072 723 H ASP 87 H ASP 87 2.052 -9.953 -10.264 724 HA ASP 87 HA ASP 87 2.596 -9.982 -13.040 725 HB2 ASP 87 2HB ASP 87 4.297 -10.356 -11.229 726 HB3 ASP 87 1HB ASP 87 3.576 -11.920 -10.885 727 H GLU 88 H GLU 88 1.015 -12.301 -10.885 728 HA GLU 88 HA GLU 88 0.573 -14.379 -12.798 729 HB2 GLU 88 2HB GLU 88 -0.782 -13.803 -10.131 730 HB3 GLU 88 1HB GLU 88 -0.949 -15.306 -11.043 731 HG2 GLU 88 2HG GLU 88 1.368 -15.856 -10.739 732 HG3 GLU 88 1HG GLU 88 1.729 -14.256 -10.095 733 H LEU 89 H LEU 89 -1.508 -11.790 -11.456 734 HA LEU 89 HA LEU 89 -3.833 -12.371 -12.941 735 HB2 LEU 89 2HB LEU 89 -2.877 -9.698 -11.828 736 HB3 LEU 89 1HB LEU 89 -4.486 -9.978 -12.476 737 HG LEU 89 HG LEU 89 -3.335 -11.368 -10.025 738 HD11 LEU 89 1HD1 LEU 89 -4.864 -9.999 -8.710 739 HD12 LEU 89 2HD1 LEU 89 -5.412 -9.165 -10.168 740 HD13 LEU 89 3HD1 LEU 89 -3.742 -8.984 -9.617 741 HD21 LEU 89 1HD2 LEU 89 -6.139 -11.495 -11.185 742 HD22 LEU 89 2HD2 LEU 89 -5.610 -12.217 -9.660 743 HD23 LEU 89 3HD2 LEU 89 -4.944 -12.797 -11.183 744 H SER 90 H SER 90 -0.957 -10.490 -13.723 745 HA SER 90 HA SER 90 -1.871 -9.208 -16.078 746 HB2 SER 90 2HB SER 90 0.172 -8.498 -14.825 747 HB3 SER 90 1HB SER 90 0.997 -9.973 -15.336 748 HG SER 90 HG SER 90 0.968 -9.248 -17.432 749 H SER 91 H SER 91 -0.134 -12.304 -15.526 750 HA SER 91 HA SER 91 0.022 -13.025 -18.285 751 HB2 SER 91 2HB SER 91 0.574 -15.330 -17.392 752 HB3 SER 91 1HB SER 91 1.585 -14.041 -16.745 753 HG SER 91 HG SER 91 -0.712 -15.021 -15.410 754 H LEU 92 H LEU 92 -2.429 -13.551 -15.767 755 HA LEU 92 HA LEU 92 -4.032 -15.450 -17.125 756 HB2 LEU 92 2HB LEU 92 -4.806 -13.362 -15.045 757 HB3 LEU 92 1HB LEU 92 -5.900 -14.614 -15.614 758 HG LEU 92 HG LEU 92 -3.301 -15.104 -14.108 759 HD11 LEU 92 1HD1 LEU 92 -5.004 -14.120 -12.665 760 HD12 LEU 92 2HD1 LEU 92 -4.712 -15.802 -12.233 761 HD13 LEU 92 3HD1 LEU 92 -6.162 -15.365 -13.145 762 HD21 LEU 92 1HD2 LEU 92 -4.014 -17.454 -13.994 763 HD22 LEU 92 2HD2 LEU 92 -3.751 -16.928 -15.653 764 HD23 LEU 92 3HD2 LEU 92 -5.396 -17.090 -15.031 765 H ILE 93 H ILE 93 -4.561 -11.935 -16.729 766 HA ILE 93 HA ILE 93 -6.686 -11.541 -18.472 767 HB ILE 93 HB ILE 93 -4.463 -9.540 -17.819 768 HG12 ILE 93 2HG1 ILE 93 -7.157 -9.840 -16.418 769 HG13 ILE 93 1HG1 ILE 93 -5.655 -10.520 -15.805 770 HG21 ILE 93 1HG2 ILE 93 -5.778 -8.782 -19.751 771 HG22 ILE 93 2HG2 ILE 93 -6.130 -7.773 -18.348 772 HG23 ILE 93 3HG2 ILE 93 -7.277 -9.016 -18.849 773 HD11 ILE 93 1HD1 ILE 93 -4.701 -8.285 -15.618 774 HD12 ILE 93 2HD1 ILE 93 -6.191 -8.444 -14.687 775 HD13 ILE 93 3HD1 ILE 93 -6.204 -7.586 -16.229 776 H GLY 94 H GLY 94 -3.189 -11.329 -19.091 777 HA2 GLY 94 2HA GLY 94 -3.198 -10.168 -21.617 778 HA3 GLY 94 1HA GLY 94 -1.924 -11.190 -20.978 779 H GLN 95 H GLN 95 -3.507 -13.589 -20.737 780 HA GLN 95 HA GLN 95 -3.277 -14.497 -23.496 781 HB2 GLN 95 2HB GLN 95 -3.832 -16.088 -20.955 782 HB3 GLN 95 1HB GLN 95 -3.507 -16.775 -22.543 783 HG2 GLN 95 2HG GLN 95 -1.574 -15.167 -20.851 784 HG3 GLN 95 1HG GLN 95 -1.519 -16.903 -21.147 785 HE21 GLN 95 1HE2 GLN 95 -0.823 -17.637 -23.197 786 HE22 GLN 95 2HE2 GLN 95 0.045 -16.619 -24.288 787 H VAL 96 H VAL 96 -5.844 -14.178 -21.027 788 HA VAL 96 HA VAL 96 -7.780 -15.615 -22.648 789 HB VAL 96 HB VAL 96 -9.417 -15.212 -20.834 790 HG11 VAL 96 1HG1 VAL 96 -8.331 -16.605 -19.107 791 HG12 VAL 96 2HG1 VAL 96 -6.756 -16.306 -19.848 792 HG13 VAL 96 3HG1 VAL 96 -7.994 -17.201 -20.734 793 HG21 VAL 96 1HG2 VAL 96 -7.180 -13.728 -19.403 794 HG22 VAL 96 2HG2 VAL 96 -8.744 -14.154 -18.705 795 HG23 VAL 96 3HG2 VAL 96 -8.655 -13.010 -20.043 796 H LEU 97 H LEU 97 -7.134 -12.220 -21.875 797 HA LEU 97 HA LEU 97 -9.570 -11.199 -23.047 798 HB2 LEU 97 2HB LEU 97 -7.978 -10.083 -21.235 799 HB3 LEU 97 1HB LEU 97 -7.087 -9.507 -22.627 800 HG LEU 97 HG LEU 97 -9.951 -8.813 -21.856 801 HD11 LEU 97 1HD1 LEU 97 -7.482 -7.068 -22.031 802 HD12 LEU 97 2HD1 LEU 97 -8.270 -7.640 -20.558 803 HD13 LEU 97 3HD1 LEU 97 -9.115 -6.526 -21.627 804 HD21 LEU 97 1HD2 LEU 97 -9.911 -8.954 -24.293 805 HD22 LEU 97 2HD2 LEU 97 -8.507 -7.888 -24.360 806 HD23 LEU 97 3HD2 LEU 97 -10.057 -7.276 -23.774 807 H PHE 98 H PHE 98 -9.869 -11.328 -25.187 808 HA PHE 98 HA PHE 98 -7.677 -11.329 -27.106 809 HB2 PHE 98 2HB PHE 98 -10.686 -11.445 -27.593 810 HB3 PHE 98 1HB PHE 98 -9.424 -11.779 -28.779 811 HD1 PHE 98 HD1 PHE 98 -7.842 -13.738 -28.331 812 HD2 PHE 98 HD2 PHE 98 -11.503 -13.187 -26.187 813 HE1 PHE 98 HE1 PHE 98 -7.792 -16.091 -27.627 814 HE2 PHE 98 HE2 PHE 98 -11.445 -15.541 -25.494 815 HZ PHE 98 HZ PHE 98 -9.590 -16.990 -26.208 816 H GLN 99 H GLN 99 -6.823 -9.334 -26.945 817 HA GLN 99 HA GLN 99 -8.467 -6.966 -27.621 818 HB2 GLN 99 2HB GLN 99 -6.596 -5.674 -26.424 819 HB3 GLN 99 1HB GLN 99 -7.643 -6.654 -25.408 820 HG2 GLN 99 2HG GLN 99 -5.462 -7.000 -24.568 821 HG3 GLN 99 1HG GLN 99 -5.845 -8.459 -25.475 822 HE21 GLN 99 1HE2 GLN 99 -4.822 -5.383 -26.879 823 HE22 GLN 99 2HE2 GLN 99 -3.305 -5.948 -27.468 824 H GLY 100 H GLY 100 -6.098 -9.072 -28.779 825 HA2 GLY 100 2HA GLY 100 -5.509 -7.401 -31.075 826 HA3 GLY 100 1HA GLY 100 -4.119 -7.707 -30.033 827 HA PRO 101 HA PRO 101 -3.772 -11.755 -31.941 828 HB2 PRO 101 2HB PRO 101 -2.513 -13.252 -30.105 829 HB3 PRO 101 1HB PRO 101 -1.769 -11.749 -30.688 830 HG2 PRO 101 2HG PRO 101 -3.234 -12.235 -28.122 831 HG3 PRO 101 1HG PRO 101 -1.741 -11.314 -28.403 832 HD2 PRO 101 2HD PRO 101 -4.285 -10.169 -28.204 833 HD3 PRO 101 1HD PRO 101 -2.881 -9.398 -28.970 834 H SER 102 H SER 102 -4.342 -14.028 -31.933 835 HA SER 102 HA SER 102 -5.428 -15.956 -31.534 836 HB2 SER 102 2HB SER 102 -5.935 -14.829 -28.747 837 HB3 SER 102 1HB SER 102 -6.048 -16.525 -29.222 838 HG SER 102 HG SER 102 -3.856 -15.023 -28.600 839 H ALA 103 H ALA 103 -6.900 -13.601 -32.578 840 HA ALA 103 HA ALA 103 -9.665 -14.598 -32.240 841 HB1 ALA 103 1HB ALA 103 -10.526 -12.287 -32.088 842 HB2 ALA 103 2HB ALA 103 -8.873 -11.665 -32.080 843 HB3 ALA 103 3HB ALA 103 -9.450 -12.657 -30.740 844 H GLY 104 H GLY 104 -11.033 -14.189 -34.042 845 HA2 GLY 104 2HA GLY 104 -9.666 -14.255 -36.581 846 HA3 GLY 104 1HA GLY 104 -11.401 -14.355 -36.320 847 H LEU 105 H LEU 105 -12.310 -12.170 -35.396 848 HA LEU 105 HA LEU 105 -11.844 -10.086 -37.332 849 HB2 LEU 105 2HB LEU 105 -13.582 -8.830 -35.937 850 HB3 LEU 105 1HB LEU 105 -14.099 -10.340 -36.652 851 HG LEU 105 HG LEU 105 -13.749 -11.438 -34.357 852 HD11 LEU 105 1HD1 LEU 105 -12.312 -9.794 -33.270 853 HD12 LEU 105 2HD1 LEU 105 -13.799 -10.008 -32.353 854 HD13 LEU 105 3HD1 LEU 105 -13.585 -8.574 -33.361 855 HD21 LEU 105 1HD2 LEU 105 -15.913 -10.673 -33.478 856 HD22 LEU 105 2HD2 LEU 105 -15.975 -10.914 -35.222 857 HD23 LEU 105 3HD2 LEU 105 -15.871 -9.281 -34.564 858 H VAL 106 H VAL 106 -11.494 -7.739 -36.581 859 HA VAL 106 HA VAL 106 -9.121 -7.387 -35.059 860 HB VAL 106 HB VAL 106 -11.201 -5.255 -35.789 861 HG11 VAL 106 1HG1 VAL 106 -9.676 -4.503 -33.992 862 HG12 VAL 106 2HG1 VAL 106 -9.370 -3.615 -35.486 863 HG13 VAL 106 3HG1 VAL 106 -8.279 -4.914 -34.994 864 HG21 VAL 106 1HG2 VAL 106 -10.359 -6.405 -37.803 865 HG22 VAL 106 2HG2 VAL 106 -8.697 -6.073 -37.312 866 HG23 VAL 106 3HG2 VAL 106 -9.773 -4.740 -37.740 867 HA PRO 107 HA PRO 107 -11.588 -7.568 -31.221 868 HB2 PRO 107 2HB PRO 107 -9.833 -8.913 -29.714 869 HB3 PRO 107 1HB PRO 107 -10.544 -9.693 -31.143 870 HG2 PRO 107 2HG PRO 107 -7.801 -8.587 -30.776 871 HG3 PRO 107 1HG PRO 107 -8.337 -9.972 -31.749 872 HD2 PRO 107 2HD PRO 107 -7.873 -7.283 -32.667 873 HD3 PRO 107 1HD PRO 107 -8.514 -8.649 -33.606 874 H ARG 108 H ARG 108 -9.471 -5.292 -32.010 875 HA ARG 108 HA ARG 108 -8.345 -4.415 -29.543 876 HB2 ARG 108 2HB ARG 108 -7.459 -3.774 -31.806 877 HB3 ARG 108 1HB ARG 108 -8.880 -2.763 -32.053 878 HG2 ARG 108 2HG ARG 108 -8.212 -1.386 -30.090 879 HG3 ARG 108 1HG ARG 108 -6.779 -2.396 -29.885 880 HD2 ARG 108 2HD ARG 108 -7.411 -0.649 -32.285 881 HD3 ARG 108 1HD ARG 108 -6.219 -0.304 -31.031 882 HE ARG 108 HE ARG 108 -5.266 -2.605 -31.880 883 HH11 ARG 108 1HH1 ARG 108 -6.506 0.012 -33.883 884 HH12 ARG 108 2HH1 ARG 108 -5.488 -0.389 -35.230 885 HH21 ARG 108 1HH2 ARG 108 -3.974 -3.126 -33.663 886 HH22 ARG 108 2HH2 ARG 108 -4.056 -2.164 -35.108 887 H GLY 109 H GLY 109 -10.008 -4.487 -28.099 888 HA2 GLY 109 2HA GLY 109 -11.828 -2.196 -27.995 889 HA3 GLY 109 1HA GLY 109 -12.562 -3.803 -28.012 890 H SER 110 H SER 110 -10.469 -1.617 -26.284 891 HA SER 110 HA SER 110 -9.735 -3.224 -24.106 892 HB2 SER 110 2HB SER 110 -10.009 -0.195 -24.219 893 HB3 SER 110 1HB SER 110 -9.035 -1.105 -23.060 894 HG SER 110 HG SER 110 -7.842 -0.248 -24.856 895 H GLY 111 H GLY 111 -12.745 -1.695 -24.824 896 HA2 GLY 111 2HA GLY 111 -13.947 -1.377 -22.312 897 HA3 GLY 111 1HA GLY 111 -14.788 -1.764 -23.805 898 H GLY 112 H GLY 112 -13.551 -4.254 -24.349 899 HA2 GLY 112 2HA GLY 112 -12.942 -6.187 -22.732 900 HA3 GLY 112 1HA GLY 112 -14.621 -5.999 -22.231 901 H ILE 113 H ILE 113 -14.805 -8.208 -22.864 902 HA ILE 113 HA ILE 113 -15.275 -8.700 -25.760 903 HB ILE 113 HB ILE 113 -15.055 -10.930 -23.671 904 HG12 ILE 113 2HG1 ILE 113 -12.547 -11.159 -24.541 905 HG13 ILE 113 1HG1 ILE 113 -12.705 -9.451 -24.918 906 HG21 ILE 113 1HG2 ILE 113 -14.334 -12.296 -25.608 907 HG22 ILE 113 2HG2 ILE 113 -14.445 -10.876 -26.649 908 HG23 ILE 113 3HG2 ILE 113 -15.903 -11.533 -25.900 909 HD11 ILE 113 1HD1 ILE 113 -12.985 -10.690 -22.178 910 HD12 ILE 113 2HD1 ILE 113 -13.123 -8.970 -22.548 911 HD13 ILE 113 3HD1 ILE 113 -11.589 -9.805 -22.790 912 H GLU 114 H GLU 114 -17.194 -10.842 -25.365 913 HA GLU 114 HA GLU 114 -19.073 -9.905 -23.286 914 HB2 GLU 114 2HB GLU 114 -20.933 -10.864 -24.901 915 HB3 GLU 114 1HB GLU 114 -20.325 -9.232 -25.127 916 HG2 GLU 114 2HG GLU 114 -20.614 -10.348 -27.260 917 HG3 GLU 114 1HG GLU 114 -18.914 -9.983 -26.975 918 H GLY 115 H GLY 115 -20.473 -11.584 -22.437 919 HA2 GLY 115 2HA GLY 115 -20.975 -13.838 -21.891 920 HA3 GLY 115 1HA GLY 115 -19.488 -14.355 -22.680 921 H SER 428 H SER 428 -19.367 -15.590 -20.615 922 HA SER 428 HA SER 428 -18.847 -14.309 -18.123 923 HB2 SER 428 2HB SER 428 -19.698 -16.640 -18.277 924 HB3 SER 428 1HB SER 428 -18.170 -17.153 -18.993 925 HG SER 428 HG SER 428 -18.735 -16.366 -16.345 926 H ILE 429 H ILE 429 -16.855 -15.246 -20.836 927 HA ILE 429 HA ILE 429 -14.295 -15.220 -19.713 928 HB ILE 429 HB ILE 429 -14.825 -16.072 -21.995 929 HG12 ILE 429 2HG1 ILE 429 -12.415 -15.314 -21.311 930 HG13 ILE 429 1HG1 ILE 429 -12.727 -15.652 -23.004 931 HG21 ILE 429 1HG2 ILE 429 -15.081 -13.171 -22.837 932 HG22 ILE 429 2HG2 ILE 429 -16.373 -14.371 -22.773 933 HG23 ILE 429 3HG2 ILE 429 -15.059 -14.556 -23.936 934 HD11 ILE 429 1HD1 ILE 429 -12.552 -12.924 -21.737 935 HD12 ILE 429 2HD1 ILE 429 -12.858 -13.244 -23.446 936 HD13 ILE 429 3HD1 ILE 429 -11.323 -13.710 -22.720 937 H ASP 430 H ASP 430 -16.307 -12.566 -20.960 938 HA ASP 430 HA ASP 430 -14.473 -10.443 -20.683 939 HB2 ASP 430 2HB ASP 430 -16.467 -10.145 -22.012 940 HB3 ASP 430 1HB ASP 430 -17.516 -10.534 -20.655 941 H GLU 431 H GLU 431 -16.906 -11.775 -18.476 942 HA GLU 431 HA GLU 431 -16.650 -9.747 -16.491 943 HB2 GLU 431 2HB GLU 431 -17.980 -12.483 -16.353 944 HB3 GLU 431 1HB GLU 431 -18.153 -11.207 -15.143 945 HG2 GLU 431 2HG GLU 431 -19.173 -9.722 -16.846 946 HG3 GLU 431 1HG GLU 431 -18.997 -10.995 -18.053 947 H THR 432 H THR 432 -15.191 -12.975 -16.882 948 HA THR 432 HA THR 432 -14.024 -13.046 -14.273 949 HB THR 432 HB THR 432 -14.386 -15.135 -15.564 950 HG1 THR 432 HG1 THR 432 -11.676 -15.334 -15.269 951 HG21 THR 432 1HG2 THR 432 -13.717 -14.395 -17.823 952 HG22 THR 432 2HG2 THR 432 -12.823 -15.832 -17.325 953 HG23 THR 432 3HG2 THR 432 -12.042 -14.251 -17.281 954 H VAL 433 H VAL 433 -12.849 -11.993 -17.499 955 HA VAL 433 HA VAL 433 -10.271 -11.131 -16.770 956 HB VAL 433 HB VAL 433 -12.164 -9.942 -18.860 957 HG11 VAL 433 1HG1 VAL 433 -9.190 -9.387 -18.504 958 HG12 VAL 433 2HG1 VAL 433 -10.499 -8.231 -18.249 959 HG13 VAL 433 3HG1 VAL 433 -10.175 -8.850 -19.867 960 HG21 VAL 433 1HG2 VAL 433 -10.823 -11.199 -20.496 961 HG22 VAL 433 2HG2 VAL 433 -11.496 -12.287 -19.281 962 HG23 VAL 433 3HG2 VAL 433 -9.801 -11.819 -19.196 963 H ALA 434 H ALA 434 -13.417 -9.544 -16.502 964 HA ALA 434 HA ALA 434 -12.597 -6.976 -15.703 965 HB1 ALA 434 1HB ALA 434 -14.920 -6.677 -14.933 966 HB2 ALA 434 2HB ALA 434 -15.198 -8.416 -15.070 967 HB3 ALA 434 3HB ALA 434 -14.873 -7.458 -16.515 968 H ARG 435 H ARG 435 -13.210 -9.957 -13.848 969 HA ARG 435 HA ARG 435 -13.006 -8.748 -11.261 970 HB2 ARG 435 2HB ARG 435 -12.460 -11.668 -11.955 971 HB3 ARG 435 1HB ARG 435 -12.858 -11.022 -10.367 972 HG2 ARG 435 2HG ARG 435 -14.666 -11.282 -12.772 973 HG3 ARG 435 1HG ARG 435 -14.831 -12.078 -11.213 974 HD2 ARG 435 2HD ARG 435 -15.475 -9.990 -10.147 975 HD3 ARG 435 1HD ARG 435 -15.085 -9.069 -11.605 976 HE ARG 435 HE ARG 435 -17.261 -11.074 -11.505 977 HH11 ARG 435 1HH1 ARG 435 -16.146 -7.852 -12.398 978 HH12 ARG 435 2HH1 ARG 435 -17.630 -7.434 -13.192 979 HH21 ARG 435 1HH2 ARG 435 -19.178 -10.518 -12.585 980 HH22 ARG 435 2HH2 ARG 435 -19.341 -8.944 -13.296 981 H TYR 436 H TYR 436 -10.687 -10.521 -13.333 982 HA TYR 436 HA TYR 436 -8.451 -10.434 -11.619 983 HB2 TYR 436 2HB TYR 436 -8.486 -10.496 -14.663 984 HB3 TYR 436 1HB TYR 436 -7.068 -10.820 -13.670 985 HD1 TYR 436 HD1 TYR 436 -8.231 -12.575 -11.540 986 HD2 TYR 436 HD2 TYR 436 -8.872 -12.529 -15.770 987 HE1 TYR 436 HE1 TYR 436 -8.775 -14.980 -11.492 988 HE2 TYR 436 HE2 TYR 436 -9.417 -14.918 -15.720 989 HH TYR 436 HH TYR 436 -8.967 -16.893 -14.295 990 H LYS 437 H LYS 437 -9.566 -8.175 -14.096 991 HA LYS 437 HA LYS 437 -7.270 -6.475 -14.025 992 HB2 LYS 437 2HB LYS 437 -8.723 -6.708 -16.061 993 HB3 LYS 437 1HB LYS 437 -10.023 -5.876 -15.207 994 HG2 LYS 437 2HG LYS 437 -8.569 -3.869 -14.976 995 HG3 LYS 437 1HG LYS 437 -7.295 -4.709 -15.861 996 HD2 LYS 437 2HD LYS 437 -8.784 -4.827 -17.853 997 HD3 LYS 437 1HD LYS 437 -10.029 -3.950 -16.953 998 HE2 LYS 437 2HE LYS 437 -7.283 -2.912 -17.731 999 HE3 LYS 437 1HE LYS 437 -8.837 -2.381 -18.373 1000 HZ1 LYS 437 1HZ LYS 437 -8.034 -0.821 -16.752 1001 HZ2 LYS 437 2HZ LYS 437 -7.882 -2.026 -15.578 1002 HZ3 LYS 437 3HZ LYS 437 -9.412 -1.578 -16.141 1003 H ALA 438 H ALA 438 -10.413 -6.525 -12.424 1004 HA ALA 438 HA ALA 438 -10.338 -3.982 -11.211 1005 HB1 ALA 438 1HB ALA 438 -12.352 -5.386 -11.201 1006 HB2 ALA 438 2HB ALA 438 -11.908 -4.913 -9.559 1007 HB3 ALA 438 3HB ALA 438 -11.557 -6.546 -10.137 1008 H GLN 439 H GLN 439 -9.266 -7.181 -10.019 1009 HA GLN 439 HA GLN 439 -8.108 -6.316 -7.595 1010 HB2 GLN 439 2HB GLN 439 -7.268 -8.753 -9.230 1011 HB3 GLN 439 1HB GLN 439 -7.000 -8.501 -7.512 1012 HG2 GLN 439 2HG GLN 439 -9.627 -9.034 -8.903 1013 HG3 GLN 439 1HG GLN 439 -8.773 -10.096 -7.794 1014 HE21 GLN 439 1HE2 GLN 439 -10.877 -7.349 -8.097 1015 HE22 GLN 439 2HE2 GLN 439 -11.263 -7.203 -6.420 1016 H PHE 440 H PHE 440 -6.842 -6.597 -10.888 1017 HA PHE 440 HA PHE 440 -4.089 -6.316 -10.290 1018 HB2 PHE 440 2HB PHE 440 -4.917 -7.246 -12.461 1019 HB3 PHE 440 1HB PHE 440 -5.530 -5.657 -12.905 1020 HD1 PHE 440 HD1 PHE 440 -2.464 -7.660 -12.352 1021 HD2 PHE 440 HD2 PHE 440 -4.005 -3.910 -13.726 1022 HE1 PHE 440 HE1 PHE 440 -0.266 -7.090 -13.299 1023 HE2 PHE 440 HE2 PHE 440 -1.802 -3.357 -14.668 1024 HZ PHE 440 HZ PHE 440 0.068 -4.941 -14.453 1025 H THR 441 H THR 441 -6.378 -3.949 -11.718 1026 HA THR 441 HA THR 441 -4.600 -1.792 -11.807 1027 HB THR 441 HB THR 441 -7.655 -1.765 -11.863 1028 HG1 THR 441 HG1 THR 441 -5.644 -2.254 -13.777 1029 HG21 THR 441 1HG2 THR 441 -5.692 0.334 -12.860 1030 HG22 THR 441 2HG2 THR 441 -6.770 0.516 -11.474 1031 HG23 THR 441 3HG2 THR 441 -7.440 0.366 -13.099 1032 H GLN 442 H GLN 442 -6.909 -2.757 -9.305 1033 HA GLN 442 HA GLN 442 -6.716 -0.404 -7.693 1034 HB2 GLN 442 2HB GLN 442 -7.701 -3.219 -7.124 1035 HB3 GLN 442 1HB GLN 442 -7.757 -1.934 -5.913 1036 HG2 GLN 442 2HG GLN 442 -9.221 -0.600 -7.295 1037 HG3 GLN 442 1HG GLN 442 -9.055 -1.721 -8.642 1038 HE21 GLN 442 1HE2 GLN 442 -9.354 -4.143 -7.151 1039 HE22 GLN 442 2HE2 GLN 442 -10.997 -4.221 -6.638 1040 H LEU 443 H LEU 443 -5.161 -3.644 -7.410 1041 HA LEU 443 HA LEU 443 -3.454 -2.866 -5.227 1042 HB2 LEU 443 2HB LEU 443 -3.506 -5.263 -7.070 1043 HB3 LEU 443 1HB LEU 443 -2.149 -5.018 -5.992 1044 HG LEU 443 HG LEU 443 -3.642 -5.197 -4.022 1045 HD11 LEU 443 1HD1 LEU 443 -5.962 -5.873 -4.184 1046 HD12 LEU 443 2HD1 LEU 443 -5.892 -5.803 -5.946 1047 HD13 LEU 443 3HD1 LEU 443 -5.722 -4.327 -4.997 1048 HD21 LEU 443 1HD2 LEU 443 -2.552 -7.212 -4.877 1049 HD22 LEU 443 2HD2 LEU 443 -3.921 -7.525 -5.947 1050 HD23 LEU 443 3HD2 LEU 443 -4.132 -7.603 -4.195 1051 H ASP 444 H ASP 444 -3.307 -2.361 -8.606 1052 HA ASP 444 HA ASP 444 -0.455 -2.140 -8.959 1053 HB2 ASP 444 2HB ASP 444 -1.950 -2.789 -10.838 1054 HB3 ASP 444 1HB ASP 444 -2.769 -1.236 -10.749 1055 H THR 445 H THR 445 -3.178 0.192 -8.704 1056 HA THR 445 HA THR 445 -1.494 2.504 -8.709 1057 HB THR 445 HB THR 445 -3.862 2.697 -9.398 1058 HG1 THR 445 HG1 THR 445 -2.588 4.323 -7.634 1059 HG21 THR 445 1HG2 THR 445 -5.689 2.754 -7.738 1060 HG22 THR 445 2HG2 THR 445 -4.564 2.260 -6.472 1061 HG23 THR 445 3HG2 THR 445 -4.938 1.156 -7.797 1062 H MET 446 H MET 446 -2.873 0.405 -6.203 1063 HA MET 446 HA MET 446 -2.103 1.784 -3.889 1064 HB2 MET 446 2HB MET 446 -3.553 -0.244 -3.861 1065 HB3 MET 446 1HB MET 446 -2.184 -1.238 -4.349 1066 HG2 MET 446 2HG MET 446 -1.031 -0.643 -2.231 1067 HG3 MET 446 1HG MET 446 -2.449 0.290 -1.747 1068 HE1 MET 446 1HE MET 446 -2.686 -1.027 0.535 1069 HE2 MET 446 2HE MET 446 -1.216 -1.924 0.138 1070 HE3 MET 446 3HE MET 446 -2.668 -2.785 0.647 1071 H MET 447 H MET 447 -0.331 -0.487 -5.962 1072 HA MET 447 HA MET 447 1.986 -0.770 -4.378 1073 HB2 MET 447 2HB MET 447 1.470 -2.437 -6.022 1074 HB3 MET 447 1HB MET 447 1.518 -1.270 -7.334 1075 HG2 MET 447 2HG MET 447 3.872 -1.146 -7.296 1076 HG3 MET 447 1HG MET 447 3.980 -1.809 -5.667 1077 HE1 MET 447 1HE MET 447 2.046 -4.216 -5.712 1078 HE2 MET 447 2HE MET 447 3.683 -4.339 -5.056 1079 HE3 MET 447 3HE MET 447 3.104 -5.530 -6.211 1080 H SER 448 H SER 448 1.358 1.299 -7.229 1081 HA SER 448 HA SER 448 3.931 2.444 -7.399 1082 HB2 SER 448 2HB SER 448 2.690 4.285 -8.703 1083 HB3 SER 448 1HB SER 448 2.509 2.637 -9.313 1084 HG SER 448 HG SER 448 0.455 2.792 -8.976 1085 H LYS 449 H LYS 449 1.006 3.454 -5.643 1086 HA LYS 449 HA LYS 449 2.068 5.819 -4.496 1087 HB2 LYS 449 2HB LYS 449 -0.223 4.033 -3.599 1088 HB3 LYS 449 1HB LYS 449 0.196 5.541 -2.789 1089 HG2 LYS 449 2HG LYS 449 -0.197 6.776 -4.912 1090 HG3 LYS 449 1HG LYS 449 -0.673 5.258 -5.681 1091 HD2 LYS 449 2HD LYS 449 -2.679 6.495 -5.027 1092 HD3 LYS 449 1HD LYS 449 -2.540 5.038 -4.040 1093 HE2 LYS 449 2HE LYS 449 -1.686 6.342 -2.163 1094 HE3 LYS 449 1HE LYS 449 -1.667 7.808 -3.144 1095 HZ1 LYS 449 1HZ LYS 449 -4.101 6.278 -2.380 1096 HZ2 LYS 449 2HZ LYS 449 -4.069 7.689 -3.310 1097 HZ3 LYS 449 3HZ LYS 449 -3.583 7.737 -1.693 1098 H LEU 450 H LEU 450 2.016 2.414 -3.305 1099 HA LEU 450 HA LEU 450 3.117 3.189 -0.760 1100 HB2 LEU 450 2HB LEU 450 3.054 0.902 -0.078 1101 HB3 LEU 450 1HB LEU 450 1.569 1.285 -0.906 1102 HG LEU 450 HG LEU 450 2.606 0.045 -2.947 1103 HD11 LEU 450 1HD1 LEU 450 4.210 -1.755 -2.435 1104 HD12 LEU 450 2HD1 LEU 450 4.427 -1.100 -0.809 1105 HD13 LEU 450 3HD1 LEU 450 4.919 -0.157 -2.216 1106 HD21 LEU 450 1HD2 LEU 450 0.715 -0.815 -1.661 1107 HD22 LEU 450 2HD2 LEU 450 1.814 -1.536 -0.482 1108 HD23 LEU 450 3HD2 LEU 450 1.789 -2.123 -2.147 1109 H ASN 451 H ASN 451 4.463 2.420 -3.787 1110 HA ASN 451 HA ASN 451 7.140 1.800 -2.919 1111 HB2 ASN 451 2HB ASN 451 6.280 1.140 -5.179 1112 HB3 ASN 451 1HB ASN 451 6.173 2.838 -5.641 1113 HD21 ASN 451 1HD2 ASN 451 8.158 4.017 -5.920 1114 HD22 ASN 451 2HD2 ASN 451 9.652 3.191 -6.208 1115 H ASN 452 H ASN 452 5.438 4.677 -4.143 1116 HA ASN 452 HA ASN 452 7.448 6.620 -3.921 1117 HB2 ASN 452 2HB ASN 452 5.339 7.047 -5.110 1118 HB3 ASN 452 1HB ASN 452 4.416 6.844 -3.624 1119 HD21 ASN 452 1HD2 ASN 452 3.495 8.856 -3.625 1120 HD22 ASN 452 2HD2 ASN 452 4.389 10.320 -3.417 1121 H THR 453 H THR 453 5.002 5.537 -1.559 1122 HA THR 453 HA THR 453 5.628 7.339 0.496 1123 HB THR 453 HB THR 453 4.400 5.767 2.037 1124 HG1 THR 453 HG1 THR 453 4.337 3.775 1.443 1125 HG21 THR 453 1HG2 THR 453 2.192 5.886 0.931 1126 HG22 THR 453 2HG2 THR 453 2.971 6.254 -0.610 1127 HG23 THR 453 3HG2 THR 453 3.085 7.395 0.728 1128 H SER 454 H SER 454 6.525 3.862 0.164 1129 HA SER 454 HA SER 454 8.129 3.555 2.369 1130 HB2 SER 454 2HB SER 454 9.263 1.712 1.101 1131 HB3 SER 454 1HB SER 454 7.506 1.652 0.994 1132 HG SER 454 HG SER 454 7.575 2.221 -1.053 1133 H SER 455 H SER 455 9.065 4.890 -0.795 1134 HA SER 455 HA SER 455 11.786 5.268 -0.397 1135 HB2 SER 455 2HB SER 455 9.871 7.112 -1.892 1136 HB3 SER 455 1HB SER 455 11.625 7.084 -2.075 1137 HG SER 455 HG SER 455 9.734 5.461 -3.176 1138 H TYR 456 H TYR 456 9.276 7.895 0.096 1139 HA TYR 456 HA TYR 456 11.261 9.488 1.466 1140 HB2 TYR 456 2HB TYR 456 9.433 11.157 1.870 1141 HB3 TYR 456 1HB TYR 456 9.709 10.743 0.189 1142 HD1 TYR 456 HD1 TYR 456 7.444 9.652 3.033 1143 HD2 TYR 456 HD2 TYR 456 7.815 10.491 -1.140 1144 HE1 TYR 456 HE1 TYR 456 5.026 9.332 2.748 1145 HE2 TYR 456 HE2 TYR 456 5.401 10.158 -1.419 1146 HH TYR 456 HH TYR 456 3.544 9.022 -0.297 1147 H LEU 457 H LEU 457 9.055 7.132 2.620 1148 HA LEU 457 HA LEU 457 8.789 8.031 5.319 1149 HB2 LEU 457 2HB LEU 457 8.373 5.287 4.067 1150 HB3 LEU 457 1HB LEU 457 8.125 5.588 5.780 1151 HG LEU 457 HG LEU 457 6.537 6.799 3.486 1152 HD11 LEU 457 1HD1 LEU 457 4.654 5.519 4.423 1153 HD12 LEU 457 2HD1 LEU 457 5.726 4.814 5.636 1154 HD13 LEU 457 3HD1 LEU 457 5.975 4.463 3.924 1155 HD21 LEU 457 1HD2 LEU 457 5.135 7.846 5.218 1156 HD22 LEU 457 2HD2 LEU 457 6.780 8.465 5.235 1157 HD23 LEU 457 3HD2 LEU 457 6.265 7.305 6.463 1158 H THR 458 H THR 458 10.917 5.667 3.662 1159 HA THR 458 HA THR 458 12.321 4.928 6.037 1160 HB THR 458 HB THR 458 12.179 3.495 3.935 1161 HG1 THR 458 HG1 THR 458 13.629 2.585 5.178 1162 HG21 THR 458 1HG2 THR 458 13.897 3.758 2.192 1163 HG22 THR 458 2HG2 THR 458 14.462 5.253 2.939 1164 HG23 THR 458 3HG2 THR 458 12.847 5.175 2.233 1165 H GLN 459 H GLN 459 12.820 7.406 3.545 1166 HA GLN 459 HA GLN 459 15.356 8.371 4.370 1167 HB2 GLN 459 2HB GLN 459 13.025 9.871 3.092 1168 HB3 GLN 459 1HB GLN 459 14.658 10.515 3.240 1169 HG2 GLN 459 2HG GLN 459 15.507 8.708 1.812 1170 HG3 GLN 459 1HG GLN 459 13.885 8.041 1.672 1171 HE21 GLN 459 1HE2 GLN 459 12.620 10.723 1.411 1172 HE22 GLN 459 2HE2 GLN 459 13.004 11.260 -0.183 1173 H GLN 460 H GLN 460 12.082 9.428 5.252 1174 HA GLN 460 HA GLN 460 12.719 11.399 7.141 1175 HB2 GLN 460 2HB GLN 460 10.482 11.161 6.056 1176 HB3 GLN 460 1HB GLN 460 10.211 9.667 6.946 1177 HG2 GLN 460 2HG GLN 460 8.982 11.546 7.950 1178 HG3 GLN 460 1HG GLN 460 10.186 10.913 9.071 1179 HE21 GLN 460 1HE2 GLN 460 11.969 12.215 9.618 1180 HE22 GLN 460 2HE2 GLN 460 12.032 13.903 9.251 1181 H PHE 461 H PHE 461 12.359 7.922 7.387 1182 HA PHE 461 HA PHE 461 12.342 7.690 10.219 1183 HB2 PHE 461 2HB PHE 461 11.478 5.903 8.763 1184 HB3 PHE 461 1HB PHE 461 13.073 5.652 8.066 1185 HD1 PHE 461 HD1 PHE 461 11.673 5.897 11.563 1186 HD2 PHE 461 HD2 PHE 461 14.048 3.646 8.802 1187 HE1 PHE 461 HE1 PHE 461 12.126 4.228 13.301 1188 HE2 PHE 461 HE2 PHE 461 14.500 1.986 10.558 1189 HZ PHE 461 HZ PHE 461 13.542 2.279 12.806 1190 H THR 462 H THR 462 14.927 7.543 7.748 1191 HA THR 462 HA THR 462 17.046 6.738 9.407 1192 HB THR 462 HB THR 462 17.291 8.571 6.973 1193 HG1 THR 462 HG1 THR 462 16.490 6.897 5.965 1194 HG21 THR 462 1HG2 THR 462 19.397 8.337 8.279 1195 HG22 THR 462 2HG2 THR 462 19.520 7.535 6.711 1196 HG23 THR 462 3HG2 THR 462 19.258 6.578 8.168 1197 H ALA 463 H ALA 463 15.848 9.990 8.559 1198 HA ALA 463 HA ALA 463 17.777 11.446 10.106 1199 HB1 ALA 463 1HB ALA 463 16.344 13.392 9.680 1200 HB2 ALA 463 2HB ALA 463 15.060 12.334 9.089 1201 HB3 ALA 463 3HB ALA 463 16.584 12.452 8.206 1202 H MET 464 H MET 464 14.370 10.528 10.728 1203 HA MET 464 HA MET 464 14.055 11.893 13.195 1204 HB2 MET 464 2HB MET 464 12.153 11.192 11.791 1205 HB3 MET 464 1HB MET 464 12.532 9.502 12.072 1206 HG2 MET 464 2HG MET 464 11.926 9.721 14.416 1207 HG3 MET 464 1HG MET 464 11.675 11.456 14.218 1208 HE1 MET 464 1HE MET 464 10.123 11.736 11.463 1209 HE2 MET 464 2HE MET 464 9.598 12.531 12.950 1210 HE3 MET 464 3HE MET 464 8.450 11.589 12.004 1211 H ASN 465 H ASN 465 15.246 8.703 12.410 1212 HA ASN 465 HA ASN 465 15.352 7.737 15.147 1213 HB2 ASN 465 2HB ASN 465 14.964 6.219 13.166 1214 HB3 ASN 465 1HB ASN 465 16.610 6.522 12.642 1215 HD21 ASN 465 1HD2 ASN 465 15.519 4.012 13.192 1216 HD22 ASN 465 2HD2 ASN 465 16.365 3.324 14.533 1217 H LYS 466 H LYS 466 17.880 8.410 12.628 1218 HA LYS 466 HA LYS 466 19.664 9.408 14.778 1219 HB2 LYS 466 2HB LYS 466 21.630 8.479 13.552 1220 HB3 LYS 466 1HB LYS 466 20.558 7.250 14.188 1221 HG2 LYS 466 2HG LYS 466 20.442 8.098 11.277 1222 HG3 LYS 466 1HG LYS 466 21.583 6.880 11.836 1223 HD2 LYS 466 2HD LYS 466 18.552 6.694 12.088 1224 HD3 LYS 466 1HD LYS 466 19.527 5.886 10.861 1225 HE2 LYS 466 2HE LYS 466 19.682 5.389 13.857 1226 HE3 LYS 466 1HE LYS 466 18.939 4.330 12.659 1227 HZ1 LYS 466 1HZ LYS 466 21.129 4.127 11.598 1228 HZ2 LYS 466 2HZ LYS 466 21.098 3.525 13.174 1229 HZ3 LYS 466 3HZ LYS 466 21.810 5.023 12.859 1230 H SER 467 H SER 467 18.494 11.453 14.034 1231 HA SER 467 HA SER 467 19.493 12.911 11.863 1232 HB2 SER 467 2HB SER 467 18.970 14.920 13.391 1233 HB3 SER 467 1HB SER 467 17.647 13.799 13.070 1234 HG SER 467 HG SER 467 19.124 13.105 15.268 Start of MODEL 8 1 H1 MET 1 1H MET 1 -0.406 21.959 22.336 2 H2 MET 1 2H MET 1 -1.022 20.439 21.944 3 H3 MET 1 3H MET 1 -1.798 21.820 21.381 4 HA MET 1 HA MET 1 0.061 22.395 20.022 5 HB2 MET 1 2HB MET 1 1.922 20.650 19.770 6 HB3 MET 1 1HB MET 1 1.927 21.581 21.256 7 HG2 MET 1 2HG MET 1 0.927 19.678 22.461 8 HG3 MET 1 1HG MET 1 0.920 18.740 20.964 9 HE1 MET 1 1HE MET 1 2.325 16.748 22.037 10 HE2 MET 1 2HE MET 1 2.272 17.593 23.587 11 HE3 MET 1 3HE MET 1 3.808 16.999 22.954 12 H THR 2 H THR 2 -1.573 22.241 18.557 13 HA THR 2 HA THR 2 -3.128 20.008 17.921 14 HB THR 2 HB THR 2 -3.836 21.318 15.901 15 HG1 THR 2 HG1 THR 2 -2.591 22.851 15.142 16 HG21 THR 2 1HG2 THR 2 -4.705 23.316 17.078 17 HG22 THR 2 2HG2 THR 2 -3.594 23.018 18.416 18 HG23 THR 2 3HG2 THR 2 -4.889 21.868 18.073 19 H SER 3 H SER 3 -0.384 21.401 16.145 20 HA SER 3 HA SER 3 -0.294 19.689 13.947 21 HB2 SER 3 2HB SER 3 2.035 21.139 15.287 22 HB3 SER 3 1HB SER 3 1.969 20.605 13.606 23 HG SER 3 HG SER 3 -0.183 22.107 14.070 24 H THR 4 H THR 4 1.344 19.488 17.084 25 HA THR 4 HA THR 4 2.978 17.245 16.442 26 HB THR 4 HB THR 4 2.307 18.326 19.206 27 HG1 THR 4 HG1 THR 4 4.638 19.140 17.906 28 HG21 THR 4 1HG2 THR 4 4.786 16.871 18.206 29 HG22 THR 4 2HG2 THR 4 3.519 16.143 19.193 30 HG23 THR 4 3HG2 THR 4 4.509 17.447 19.850 31 H VAL 5 H VAL 5 -0.195 17.599 18.082 32 HA VAL 5 HA VAL 5 -0.194 14.888 19.070 33 HB VAL 5 HB VAL 5 -1.448 16.646 20.297 34 HG11 VAL 5 1HG1 VAL 5 -3.642 17.441 19.547 35 HG12 VAL 5 2HG1 VAL 5 -3.436 16.592 18.012 36 HG13 VAL 5 3HG1 VAL 5 -2.367 17.932 18.427 37 HG21 VAL 5 1HG2 VAL 5 -3.443 15.283 20.834 38 HG22 VAL 5 2HG2 VAL 5 -2.001 14.282 20.677 39 HG23 VAL 5 3HG2 VAL 5 -3.186 14.323 19.370 40 H GLU 6 H GLU 6 -1.733 16.538 16.289 41 HA GLU 6 HA GLU 6 -3.184 14.270 15.344 42 HB2 GLU 6 2HB GLU 6 -3.474 15.526 13.256 43 HB3 GLU 6 1HB GLU 6 -3.734 16.574 14.646 44 HG2 GLU 6 2HG GLU 6 -1.408 17.457 14.350 45 HG3 GLU 6 1HG GLU 6 -1.271 16.466 12.904 46 H PHE 7 H PHE 7 0.066 15.513 14.748 47 HA PHE 7 HA PHE 7 1.108 13.723 12.912 48 HB2 PHE 7 2HB PHE 7 2.373 15.601 13.704 49 HB3 PHE 7 1HB PHE 7 2.252 15.089 15.367 50 HD1 PHE 7 HD1 PHE 7 4.088 14.667 12.206 51 HD2 PHE 7 HD2 PHE 7 3.781 13.405 16.279 52 HE1 PHE 7 HE1 PHE 7 6.358 13.729 12.111 53 HE2 PHE 7 HE2 PHE 7 6.048 12.471 16.153 54 HZ PHE 7 HZ PHE 7 7.341 12.643 14.068 55 H ILE 8 H ILE 8 0.998 13.325 16.486 56 HA ILE 8 HA ILE 8 2.007 10.733 16.749 57 HB ILE 8 HB ILE 8 -0.149 12.068 18.461 58 HG12 ILE 8 2HG1 ILE 8 2.862 12.024 18.947 59 HG13 ILE 8 1HG1 ILE 8 1.990 13.382 18.259 60 HG21 ILE 8 1HG2 ILE 8 -0.061 9.659 18.888 61 HG22 ILE 8 2HG2 ILE 8 0.553 10.554 20.273 62 HG23 ILE 8 3HG2 ILE 8 1.676 9.748 19.176 63 HD11 ILE 8 1HD1 ILE 8 1.648 12.266 21.037 64 HD12 ILE 8 2HD1 ILE 8 0.693 13.580 20.345 65 HD13 ILE 8 3HD1 ILE 8 2.427 13.782 20.581 66 H ASN 9 H ASN 9 -1.433 11.739 16.597 67 HA ASN 9 HA ASN 9 -2.614 9.230 16.802 68 HB2 ASN 9 2HB ASN 9 -3.662 11.794 15.539 69 HB3 ASN 9 1HB ASN 9 -4.643 10.336 15.614 70 HD21 ASN 9 1HD2 ASN 9 -3.438 13.025 17.402 71 HD22 ASN 9 2HD2 ASN 9 -4.240 12.668 18.885 72 H ARG 10 H ARG 10 -1.776 11.057 13.851 73 HA ARG 10 HA ARG 10 -2.964 9.229 12.039 74 HB2 ARG 10 2HB ARG 10 -0.858 11.366 11.554 75 HB3 ARG 10 1HB ARG 10 -1.629 10.439 10.269 76 HG2 ARG 10 2HG ARG 10 -3.817 11.364 10.876 77 HG3 ARG 10 1HG ARG 10 -3.090 12.254 12.215 78 HD2 ARG 10 2HD ARG 10 -2.486 12.667 9.269 79 HD3 ARG 10 1HD ARG 10 -3.471 13.719 10.287 80 HE ARG 10 HE ARG 10 -0.684 13.266 11.076 81 HH11 ARG 10 1HH1 ARG 10 -3.033 15.476 9.650 82 HH12 ARG 10 2HH1 ARG 10 -2.011 16.868 9.839 83 HH21 ARG 10 1HH2 ARG 10 0.637 15.100 11.307 84 HH22 ARG 10 2HH2 ARG 10 0.064 16.644 10.773 85 H TRP 11 H TRP 11 0.450 9.589 13.137 86 HA TRP 11 HA TRP 11 1.494 7.511 11.514 87 HB2 TRP 11 2HB TRP 11 2.487 8.702 14.124 88 HB3 TRP 11 1HB TRP 11 3.343 7.385 13.329 89 HD1 TRP 11 HD1 TRP 11 3.436 11.019 13.511 90 HE1 TRP 11 HE1 TRP 11 4.736 12.021 11.546 91 HE3 TRP 11 HE3 TRP 11 3.575 6.947 10.413 92 HZ2 TRP 11 HZ2 TRP 11 5.714 11.244 9.056 93 HZ3 TRP 11 HZ3 TRP 11 4.722 7.171 8.246 94 HH2 TRP 11 HH2 TRP 11 5.768 9.282 7.584 95 H GLN 12 H GLN 12 0.033 7.462 14.762 96 HA GLN 12 HA GLN 12 0.366 4.738 15.356 97 HB2 GLN 12 2HB GLN 12 -0.509 6.441 16.989 98 HB3 GLN 12 1HB GLN 12 -2.028 6.486 16.099 99 HG2 GLN 12 2HG GLN 12 -2.273 4.009 16.583 100 HG3 GLN 12 1HG GLN 12 -0.863 4.145 17.632 101 HE21 GLN 12 1HE2 GLN 12 -2.035 3.560 19.479 102 HE22 GLN 12 2HE2 GLN 12 -3.224 4.580 20.200 103 H ARG 13 H ARG 13 -2.192 6.438 13.498 104 HA ARG 13 HA ARG 13 -3.872 4.250 12.970 105 HB2 ARG 13 2HB ARG 13 -3.376 6.547 11.020 106 HB3 ARG 13 1HB ARG 13 -4.782 5.495 11.071 107 HG2 ARG 13 2HG ARG 13 -4.028 7.638 13.065 108 HG3 ARG 13 1HG ARG 13 -5.376 7.658 11.937 109 HD2 ARG 13 2HD ARG 13 -6.464 5.851 13.147 110 HD3 ARG 13 1HD ARG 13 -5.081 5.694 14.234 111 HE ARG 13 HE ARG 13 -6.858 8.069 14.102 112 HH11 ARG 13 1HH1 ARG 13 -4.840 5.882 15.973 113 HH12 ARG 13 2HH1 ARG 13 -5.152 6.686 17.478 114 HH21 ARG 13 1HH2 ARG 13 -7.246 9.118 16.088 115 HH22 ARG 13 2HH2 ARG 13 -6.513 8.513 17.539 116 H ILE 14 H ILE 14 -1.190 5.603 11.052 117 HA ILE 14 HA ILE 14 -1.287 3.956 8.807 118 HB ILE 14 HB ILE 14 1.150 5.320 10.069 119 HG12 ILE 14 2HG1 ILE 14 -0.634 6.308 7.794 120 HG13 ILE 14 1HG1 ILE 14 -0.770 6.844 9.458 121 HG21 ILE 14 1HG2 ILE 14 0.839 4.313 7.217 122 HG22 ILE 14 2HG2 ILE 14 1.865 3.596 8.460 123 HG23 ILE 14 3HG2 ILE 14 2.216 5.213 7.854 124 HD11 ILE 14 1HD1 ILE 14 1.613 7.272 7.661 125 HD12 ILE 14 2HD1 ILE 14 1.476 7.805 9.338 126 HD13 ILE 14 3HD1 ILE 14 0.401 8.470 8.112 127 H ALA 15 H ALA 15 0.378 3.463 11.904 128 HA ALA 15 HA ALA 15 1.824 1.104 11.183 129 HB1 ALA 15 1HB ALA 15 2.510 2.578 13.019 130 HB2 ALA 15 2HB ALA 15 2.283 0.924 13.590 131 HB3 ALA 15 3HB ALA 15 1.059 2.154 13.924 132 H LEU 16 H LEU 16 -1.240 1.623 12.952 133 HA LEU 16 HA LEU 16 -1.772 -1.106 13.572 134 HB2 LEU 16 2HB LEU 16 -3.683 1.258 13.370 135 HB3 LEU 16 1HB LEU 16 -4.092 -0.291 14.089 136 HG LEU 16 HG LEU 16 -1.976 1.625 15.155 137 HD11 LEU 16 1HD1 LEU 16 -4.203 2.565 15.442 138 HD12 LEU 16 2HD1 LEU 16 -3.537 2.084 16.999 139 HD13 LEU 16 3HD1 LEU 16 -4.766 1.083 16.218 140 HD21 LEU 16 1HD2 LEU 16 -1.413 -0.687 15.688 141 HD22 LEU 16 2HD2 LEU 16 -3.021 -0.951 16.367 142 HD23 LEU 16 3HD2 LEU 16 -1.908 0.180 17.141 143 H LEU 17 H LEU 17 -2.652 1.009 10.896 144 HA LEU 17 HA LEU 17 -4.507 -0.732 9.615 145 HB2 LEU 17 2HB LEU 17 -2.983 1.676 8.512 146 HB3 LEU 17 1HB LEU 17 -4.259 0.831 7.650 147 HG LEU 17 HG LEU 17 -4.604 2.379 10.249 148 HD11 LEU 17 1HD1 LEU 17 -4.235 3.858 8.339 149 HD12 LEU 17 2HD1 LEU 17 -5.891 3.990 8.922 150 HD13 LEU 17 3HD1 LEU 17 -5.546 3.077 7.450 151 HD21 LEU 17 1HD2 LEU 17 -7.014 1.987 9.979 152 HD22 LEU 17 2HD2 LEU 17 -6.125 0.485 10.206 153 HD23 LEU 17 3HD2 LEU 17 -6.697 0.936 8.597 154 H SER 18 H SER 18 -1.054 0.087 9.044 155 HA SER 18 HA SER 18 -0.611 -1.434 6.749 156 HB2 SER 18 2HB SER 18 1.813 -1.407 7.380 157 HB3 SER 18 1HB SER 18 1.058 0.176 7.533 158 HG SER 18 HG SER 18 1.650 -1.648 9.622 159 H GLN 19 H GLN 19 -0.292 -2.366 10.173 160 HA GLN 19 HA GLN 19 0.589 -5.017 9.780 161 HB2 GLN 19 2HB GLN 19 0.767 -3.913 11.956 162 HB3 GLN 19 1HB GLN 19 -0.985 -3.793 12.086 163 HG2 GLN 19 2HG GLN 19 -1.178 -6.221 12.262 164 HG3 GLN 19 1HG GLN 19 0.554 -6.410 12.005 165 HE21 GLN 19 1HE2 GLN 19 -0.861 -3.907 14.080 166 HE22 GLN 19 2HE2 GLN 19 -0.302 -4.583 15.566 167 H SER 20 H SER 20 -2.737 -3.743 10.296 168 HA SER 20 HA SER 20 -4.011 -6.260 10.361 169 HB2 SER 20 2HB SER 20 -6.143 -4.994 10.080 170 HB3 SER 20 1HB SER 20 -5.102 -4.308 11.325 171 HG SER 20 HG SER 20 -4.702 -2.595 10.084 172 H LEU 21 H LEU 21 -3.617 -3.951 7.646 173 HA LEU 21 HA LEU 21 -5.089 -5.571 5.796 174 HB2 LEU 21 2HB LEU 21 -4.410 -3.949 4.070 175 HB3 LEU 21 1HB LEU 21 -5.108 -3.201 5.485 176 HG LEU 21 HG LEU 21 -2.653 -2.702 6.205 177 HD11 LEU 21 1HD1 LEU 21 -1.474 -4.084 4.588 178 HD12 LEU 21 2HD1 LEU 21 -1.032 -2.389 4.424 179 HD13 LEU 21 3HD1 LEU 21 -2.139 -3.127 3.262 180 HD21 LEU 21 1HD2 LEU 21 -4.233 -0.961 5.566 181 HD22 LEU 21 2HD2 LEU 21 -3.864 -1.218 3.860 182 HD23 LEU 21 3HD2 LEU 21 -2.623 -0.598 4.951 183 H LEU 22 H LEU 22 -1.711 -5.374 6.705 184 HA LEU 22 HA LEU 22 -0.572 -6.849 4.586 185 HB2 LEU 22 2HB LEU 22 0.781 -5.700 6.312 186 HB3 LEU 22 1HB LEU 22 0.190 -6.816 7.533 187 HG LEU 22 HG LEU 22 1.310 -8.697 6.234 188 HD11 LEU 22 1HD1 LEU 22 3.051 -8.138 4.619 189 HD12 LEU 22 2HD1 LEU 22 2.598 -6.434 4.687 190 HD13 LEU 22 3HD1 LEU 22 1.464 -7.628 4.049 191 HD21 LEU 22 1HD2 LEU 22 2.308 -7.754 8.254 192 HD22 LEU 22 2HD2 LEU 22 3.134 -6.525 7.295 193 HD23 LEU 22 3HD2 LEU 22 3.545 -8.228 7.093 194 H GLU 23 H GLU 23 -2.019 -7.864 7.658 195 HA GLU 23 HA GLU 23 -1.798 -10.656 7.372 196 HB2 GLU 23 2HB GLU 23 -3.881 -9.006 8.863 197 HB3 GLU 23 1HB GLU 23 -3.630 -10.735 9.086 198 HG2 GLU 23 2HG GLU 23 -1.416 -10.372 10.003 199 HG3 GLU 23 1HG GLU 23 -1.471 -8.658 9.595 200 H LEU 24 H LEU 24 -4.346 -8.384 6.380 201 HA LEU 24 HA LEU 24 -6.179 -10.258 5.300 202 HB2 LEU 24 2HB LEU 24 -5.737 -7.317 4.622 203 HB3 LEU 24 1HB LEU 24 -7.133 -8.251 4.107 204 HG LEU 24 HG LEU 24 -6.442 -7.750 7.032 205 HD11 LEU 24 1HD1 LEU 24 -6.931 -5.610 5.958 206 HD12 LEU 24 2HD1 LEU 24 -8.225 -6.064 7.063 207 HD13 LEU 24 3HD1 LEU 24 -8.447 -6.249 5.321 208 HD21 LEU 24 1HD2 LEU 24 -7.808 -9.755 6.643 209 HD22 LEU 24 2HD2 LEU 24 -8.996 -8.787 5.770 210 HD23 LEU 24 3HD2 LEU 24 -8.718 -8.505 7.490 211 H ALA 25 H ALA 25 -3.345 -8.660 3.941 212 HA ALA 25 HA ALA 25 -3.800 -9.253 1.180 213 HB1 ALA 25 1HB ALA 25 -1.481 -8.512 0.839 214 HB2 ALA 25 2HB ALA 25 -1.186 -8.563 2.581 215 HB3 ALA 25 3HB ALA 25 -2.335 -7.403 1.912 216 H GLN 26 H GLN 26 -1.687 -10.741 3.650 217 HA GLN 26 HA GLN 26 -0.677 -12.802 1.936 218 HB2 GLN 26 2HB GLN 26 0.389 -13.696 3.953 219 HB3 GLN 26 1HB GLN 26 0.588 -11.951 3.876 220 HG2 GLN 26 2HG GLN 26 -1.303 -11.718 5.506 221 HG3 GLN 26 1HG GLN 26 -1.335 -13.473 5.652 222 HE21 GLN 26 1HE2 GLN 26 1.570 -11.451 5.402 223 HE22 GLN 26 2HE2 GLN 26 2.158 -11.804 6.985 224 H ARG 27 H ARG 27 -3.447 -12.536 4.064 225 HA ARG 27 HA ARG 27 -4.215 -15.302 3.991 226 HB2 ARG 27 2HB ARG 27 -5.649 -12.734 4.734 227 HB3 ARG 27 1HB ARG 27 -6.540 -14.246 4.627 228 HG2 ARG 27 2HG ARG 27 -4.152 -13.798 6.440 229 HG3 ARG 27 1HG ARG 27 -5.840 -13.665 6.932 230 HD2 ARG 27 2HD ARG 27 -4.481 -16.164 5.883 231 HD3 ARG 27 1HD ARG 27 -4.934 -15.842 7.561 232 HE ARG 27 HE ARG 27 -7.307 -15.668 6.596 233 HH11 ARG 27 1HH1 ARG 27 -4.879 -17.889 5.323 234 HH12 ARG 27 2HH1 ARG 27 -6.050 -19.029 4.741 235 HH21 ARG 27 1HH2 ARG 27 -8.837 -17.178 5.800 236 HH22 ARG 27 2HH2 ARG 27 -8.290 -18.625 5.011 237 H GLY 28 H GLY 28 -4.633 -12.577 1.842 238 HA2 GLY 28 2HA GLY 28 -5.030 -12.850 -0.481 239 HA3 GLY 28 1HA GLY 28 -5.952 -14.310 -0.155 240 H GLU 29 H GLU 29 -6.911 -12.073 2.093 241 HA GLU 29 HA GLU 29 -9.363 -11.341 0.786 242 HB2 GLU 29 2HB GLU 29 -8.118 -10.748 3.483 243 HB3 GLU 29 1HB GLU 29 -9.467 -9.757 2.940 244 HG2 GLU 29 2HG GLU 29 -10.230 -11.546 4.405 245 HG3 GLU 29 1HG GLU 29 -10.899 -11.725 2.791 246 H TRP 30 H TRP 30 -8.513 -10.336 -1.100 247 HA TRP 30 HA TRP 30 -6.891 -7.988 -1.042 248 HB2 TRP 30 2HB TRP 30 -8.689 -8.904 -3.332 249 HB3 TRP 30 1HB TRP 30 -7.279 -7.851 -3.439 250 HD1 TRP 30 HD1 TRP 30 -8.148 -11.277 -4.199 251 HE1 TRP 30 HE1 TRP 30 -6.109 -12.838 -4.158 252 HE3 TRP 30 HE3 TRP 30 -4.826 -8.231 -1.784 253 HZ2 TRP 30 HZ2 TRP 30 -3.457 -12.789 -3.240 254 HZ3 TRP 30 HZ3 TRP 30 -2.555 -9.064 -1.361 255 HH2 TRP 30 HH2 TRP 30 -1.888 -11.298 -2.076 256 H ASP 31 H ASP 31 -10.318 -8.609 -1.109 257 HA ASP 31 HA ASP 31 -11.324 -6.063 -1.751 258 HB2 ASP 31 2HB ASP 31 -12.592 -8.167 0.071 259 HB3 ASP 31 1HB ASP 31 -13.441 -6.888 -0.795 260 H LEU 32 H LEU 32 -10.505 -7.577 1.341 261 HA LEU 32 HA LEU 32 -11.270 -5.324 2.975 262 HB2 LEU 32 2HB LEU 32 -9.723 -7.846 3.683 263 HB3 LEU 32 1HB LEU 32 -10.376 -6.696 4.841 264 HG LEU 32 HG LEU 32 -11.988 -8.500 2.988 265 HD11 LEU 32 1HD1 LEU 32 -11.764 -8.530 6.014 266 HD12 LEU 32 2HD1 LEU 32 -10.976 -9.661 4.913 267 HD13 LEU 32 3HD1 LEU 32 -12.735 -9.620 5.019 268 HD21 LEU 32 1HD2 LEU 32 -13.020 -6.454 4.982 269 HD22 LEU 32 2HD2 LEU 32 -14.004 -7.617 4.089 270 HD23 LEU 32 3HD2 LEU 32 -13.139 -6.354 3.221 271 H LEU 33 H LEU 33 -8.270 -6.593 1.591 272 HA LEU 33 HA LEU 33 -6.372 -4.903 2.806 273 HB2 LEU 33 2HB LEU 33 -5.656 -6.782 1.430 274 HB3 LEU 33 1HB LEU 33 -6.480 -6.133 0.025 275 HG LEU 33 HG LEU 33 -4.825 -4.194 0.050 276 HD11 LEU 33 1HD1 LEU 33 -4.076 -4.292 2.344 277 HD12 LEU 33 2HD1 LEU 33 -2.706 -4.484 1.253 278 HD13 LEU 33 3HD1 LEU 33 -3.373 -5.892 2.087 279 HD21 LEU 33 1HD2 LEU 33 -3.013 -5.443 -1.018 280 HD22 LEU 33 2HD2 LEU 33 -4.588 -6.043 -1.532 281 HD23 LEU 33 3HD2 LEU 33 -3.641 -6.954 -0.353 282 H LEU 34 H LEU 34 -8.374 -4.453 -0.086 283 HA LEU 34 HA LEU 34 -7.365 -1.864 -0.804 284 HB2 LEU 34 2HB LEU 34 -9.813 -3.414 -1.735 285 HB3 LEU 34 1HB LEU 34 -9.268 -1.911 -2.467 286 HG LEU 34 HG LEU 34 -7.623 -4.470 -2.385 287 HD11 LEU 34 1HD1 LEU 34 -8.146 -4.742 -4.765 288 HD12 LEU 34 2HD1 LEU 34 -9.250 -3.367 -4.691 289 HD13 LEU 34 3HD1 LEU 34 -9.593 -4.829 -3.763 290 HD21 LEU 34 1HD2 LEU 34 -6.182 -3.359 -4.029 291 HD22 LEU 34 2HD2 LEU 34 -6.228 -2.478 -2.508 292 HD23 LEU 34 3HD2 LEU 34 -7.145 -1.888 -3.896 293 H GLN 35 H GLN 35 -10.019 -3.071 1.139 294 HA GLN 35 HA GLN 35 -11.497 -0.707 1.529 295 HB2 GLN 35 2HB GLN 35 -12.273 -2.926 2.319 296 HB3 GLN 35 1HB GLN 35 -10.966 -2.987 3.495 297 HG2 GLN 35 2HG GLN 35 -13.089 -2.410 4.572 298 HG3 GLN 35 1HG GLN 35 -11.942 -1.081 4.704 299 HE21 GLN 35 1HE2 GLN 35 -13.856 -1.836 1.802 300 HE22 GLN 35 2HE2 GLN 35 -14.818 -0.403 1.860 301 H GLN 36 H GLN 36 -8.569 -1.961 3.059 302 HA GLN 36 HA GLN 36 -8.339 0.233 4.952 303 HB2 GLN 36 2HB GLN 36 -6.481 -2.109 4.361 304 HB3 GLN 36 1HB GLN 36 -6.311 -0.980 5.701 305 HG2 GLN 36 2HG GLN 36 -8.668 -2.834 5.287 306 HG3 GLN 36 1HG GLN 36 -7.319 -3.135 6.383 307 HE21 GLN 36 1HE2 GLN 36 -10.282 -2.678 6.784 308 HE22 GLN 36 2HE2 GLN 36 -10.351 -1.462 8.008 309 H GLU 37 H GLU 37 -7.129 -0.568 1.780 310 HA GLU 37 HA GLU 37 -4.734 0.797 1.523 311 HB2 GLU 37 2HB GLU 37 -5.608 -0.549 -0.313 312 HB3 GLU 37 1HB GLU 37 -7.024 0.480 -0.468 313 HG2 GLU 37 2HG GLU 37 -5.421 2.362 -1.144 314 HG3 GLU 37 1HG GLU 37 -4.165 1.131 -1.237 315 H VAL 38 H VAL 38 -8.034 2.074 1.110 316 HA VAL 38 HA VAL 38 -7.387 4.635 0.233 317 HB VAL 38 HB VAL 38 -9.686 5.341 0.896 318 HG11 VAL 38 1HG1 VAL 38 -10.908 3.784 -0.587 319 HG12 VAL 38 2HG1 VAL 38 -9.564 2.641 -0.501 320 HG13 VAL 38 3HG1 VAL 38 -9.332 4.222 -1.252 321 HG21 VAL 38 1HG2 VAL 38 -11.276 3.739 1.884 322 HG22 VAL 38 2HG2 VAL 38 -9.950 4.072 2.998 323 HG23 VAL 38 3HG2 VAL 38 -9.982 2.558 2.092 324 H SER 39 H SER 39 -8.078 3.577 3.579 325 HA SER 39 HA SER 39 -7.736 6.141 4.782 326 HB2 SER 39 2HB SER 39 -7.745 4.745 6.927 327 HB3 SER 39 1HB SER 39 -9.143 4.534 5.877 328 HG SER 39 HG SER 39 -7.120 2.744 6.521 329 H TYR 40 H TYR 40 -5.655 3.372 4.245 330 HA TYR 40 HA TYR 40 -3.556 3.990 6.033 331 HB2 TYR 40 2HB TYR 40 -3.916 1.731 5.254 332 HB3 TYR 40 1HB TYR 40 -3.740 2.215 3.573 333 HD1 TYR 40 HD1 TYR 40 -1.634 2.628 6.686 334 HD2 TYR 40 HD2 TYR 40 -1.825 1.304 2.627 335 HE1 TYR 40 HE1 TYR 40 0.720 1.946 6.787 336 HE2 TYR 40 HE2 TYR 40 0.530 0.627 2.731 337 HH TYR 40 HH TYR 40 2.572 1.273 4.126 338 H LEU 41 H LEU 41 -3.548 4.118 2.450 339 HA LEU 41 HA LEU 41 -1.102 5.510 2.245 340 HB2 LEU 41 2HB LEU 41 -3.348 5.166 0.222 341 HB3 LEU 41 1HB LEU 41 -1.785 5.865 -0.166 342 HG LEU 41 HG LEU 41 -2.226 3.001 0.789 343 HD11 LEU 41 1HD1 LEU 41 -1.559 3.997 -2.006 344 HD12 LEU 41 2HD1 LEU 41 -3.108 3.336 -1.483 345 HD13 LEU 41 3HD1 LEU 41 -1.679 2.307 -1.503 346 HD21 LEU 41 1HD2 LEU 41 -0.039 3.844 1.490 347 HD22 LEU 41 2HD2 LEU 41 0.324 4.353 -0.161 348 HD23 LEU 41 3HD2 LEU 41 0.141 2.639 0.217 349 H GLN 42 H GLN 42 -4.503 6.648 2.363 350 HA GLN 42 HA GLN 42 -4.113 9.378 1.829 351 HB2 GLN 42 2HB GLN 42 -6.351 8.355 2.073 352 HB3 GLN 42 1HB GLN 42 -6.067 8.099 3.789 353 HG2 GLN 42 2HG GLN 42 -5.920 10.598 4.069 354 HG3 GLN 42 1HG GLN 42 -6.375 10.769 2.376 355 HE21 GLN 42 1HE2 GLN 42 -8.308 8.524 2.482 356 HE22 GLN 42 2HE2 GLN 42 -9.658 9.113 3.379 357 H SER 43 H SER 43 -3.794 7.585 4.895 358 HA SER 43 HA SER 43 -3.318 9.838 6.553 359 HB2 SER 43 2HB SER 43 -2.697 6.896 6.989 360 HB3 SER 43 1HB SER 43 -2.518 8.137 8.231 361 HG SER 43 HG SER 43 -4.967 7.758 6.858 362 H ILE 44 H ILE 44 -1.114 7.678 4.779 363 HA ILE 44 HA ILE 44 1.342 8.777 5.729 364 HB ILE 44 HB ILE 44 0.787 7.482 3.011 365 HG12 ILE 44 2HG1 ILE 44 1.771 6.160 5.589 366 HG13 ILE 44 1HG1 ILE 44 0.147 6.008 4.935 367 HG21 ILE 44 1HG2 ILE 44 3.404 7.913 4.496 368 HG22 ILE 44 2HG2 ILE 44 2.901 8.701 2.996 369 HG23 ILE 44 3HG2 ILE 44 3.224 6.970 3.019 370 HD11 ILE 44 1HD1 ILE 44 1.452 4.038 4.452 371 HD12 ILE 44 2HD1 ILE 44 2.678 5.004 3.635 372 HD13 ILE 44 3HD1 ILE 44 1.053 4.879 2.955 373 H GLU 45 H GLU 45 -0.716 9.511 2.947 374 HA GLU 45 HA GLU 45 0.885 11.508 1.757 375 HB2 GLU 45 2HB GLU 45 -2.085 10.883 1.533 376 HB3 GLU 45 1HB GLU 45 -1.309 12.139 0.573 377 HG2 GLU 45 2HG GLU 45 0.135 10.497 -0.511 378 HG3 GLU 45 1HG GLU 45 -0.473 9.217 0.535 379 H THR 46 H THR 46 -1.566 11.678 4.343 380 HA THR 46 HA THR 46 -1.735 14.574 4.170 381 HB THR 46 HB THR 46 -3.770 13.267 4.760 382 HG1 THR 46 HG1 THR 46 -3.706 15.439 5.378 383 HG21 THR 46 1HG2 THR 46 -4.086 12.417 7.045 384 HG22 THR 46 2HG2 THR 46 -2.405 12.792 7.431 385 HG23 THR 46 3HG2 THR 46 -2.777 11.558 6.230 386 H VAL 47 H VAL 47 -0.005 12.231 6.290 387 HA VAL 47 HA VAL 47 0.873 14.212 8.166 388 HB VAL 47 HB VAL 47 2.727 12.661 8.813 389 HG11 VAL 47 1HG1 VAL 47 0.532 12.410 9.867 390 HG12 VAL 47 2HG1 VAL 47 1.341 10.850 9.709 391 HG13 VAL 47 3HG1 VAL 47 0.035 11.285 8.600 392 HG21 VAL 47 1HG2 VAL 47 1.672 10.853 6.615 393 HG22 VAL 47 2HG2 VAL 47 2.878 10.403 7.825 394 HG23 VAL 47 3HG2 VAL 47 3.242 11.658 6.640 395 H MET 48 H MET 48 2.198 13.039 5.075 396 HA MET 48 HA MET 48 4.550 14.730 5.220 397 HB2 MET 48 2HB MET 48 3.377 13.051 2.978 398 HB3 MET 48 1HB MET 48 4.895 13.937 2.844 399 HG2 MET 48 2HG MET 48 4.317 11.738 4.846 400 HG3 MET 48 1HG MET 48 5.277 11.581 3.374 401 HE1 MET 48 1HE MET 48 7.376 10.618 4.734 402 HE2 MET 48 2HE MET 48 6.432 10.705 6.223 403 HE3 MET 48 3HE MET 48 8.048 11.409 6.158 404 H GLU 49 H GLU 49 1.304 15.094 3.922 405 HA GLU 49 HA GLU 49 1.820 17.447 2.336 406 HB2 GLU 49 2HB GLU 49 -0.153 15.947 1.994 407 HB3 GLU 49 1HB GLU 49 -0.813 16.462 3.532 408 HG2 GLU 49 2HG GLU 49 -0.272 18.517 1.386 409 HG3 GLU 49 1HG GLU 49 -1.692 17.488 1.254 410 H LYS 50 H LYS 50 1.028 16.764 5.681 411 HA LYS 50 HA LYS 50 0.778 19.473 6.589 412 HB2 LYS 50 2HB LYS 50 -0.152 17.413 7.761 413 HB3 LYS 50 1HB LYS 50 1.492 16.982 8.207 414 HG2 LYS 50 2HG LYS 50 0.354 18.032 10.088 415 HG3 LYS 50 1HG LYS 50 1.676 19.064 9.531 416 HD2 LYS 50 2HD LYS 50 0.012 20.446 8.265 417 HD3 LYS 50 1HD LYS 50 -1.284 19.441 8.920 418 HE2 LYS 50 2HE LYS 50 -0.617 20.148 11.221 419 HE3 LYS 50 1HE LYS 50 0.609 21.206 10.509 420 HZ1 LYS 50 1HZ LYS 50 -2.326 21.403 10.059 421 HZ2 LYS 50 2HZ LYS 50 -1.160 22.407 9.358 422 HZ3 LYS 50 3HZ LYS 50 -1.400 22.432 11.031 423 H GLN 51 H GLN 51 3.346 17.895 5.299 424 HA GLN 51 HA GLN 51 5.497 18.365 4.938 425 HB2 GLN 51 2HB GLN 51 5.161 20.742 6.820 426 HB3 GLN 51 1HB GLN 51 6.519 20.478 5.733 427 HG2 GLN 51 2HG GLN 51 3.647 21.030 4.925 428 HG3 GLN 51 1HG GLN 51 5.006 22.144 4.802 429 HE21 GLN 51 1HE2 GLN 51 3.518 19.282 3.447 430 HE22 GLN 51 2HE2 GLN 51 4.408 19.277 1.968 431 H THR 52 H THR 52 4.361 16.891 7.371 432 HA THR 52 HA THR 52 4.857 15.963 9.337 433 HB THR 52 HB THR 52 7.686 15.894 8.194 434 HG1 THR 52 HG1 THR 52 6.313 14.833 6.796 435 HG21 THR 52 1HG2 THR 52 8.029 13.937 9.656 436 HG22 THR 52 2HG2 THR 52 6.412 14.140 10.334 437 HG23 THR 52 3HG2 THR 52 7.650 15.362 10.628 438 HA PRO 53 HA PRO 53 5.716 19.970 11.487 439 HB2 PRO 53 2HB PRO 53 4.719 18.915 13.943 440 HB3 PRO 53 1HB PRO 53 3.798 19.854 12.757 441 HG2 PRO 53 2HG PRO 53 3.926 16.895 13.123 442 HG3 PRO 53 1HG PRO 53 2.547 17.924 12.671 443 HD2 PRO 53 2HD PRO 53 3.799 16.446 10.830 444 HD3 PRO 53 1HD PRO 53 3.228 18.086 10.437 445 HA PRO 54 HA PRO 54 9.635 18.304 13.142 446 HB2 PRO 54 2HB PRO 54 11.091 20.583 13.092 447 HB3 PRO 54 1HB PRO 54 10.601 19.767 11.593 448 HG2 PRO 54 2HG PRO 54 9.332 22.141 12.930 449 HG3 PRO 54 1HG PRO 54 9.745 21.910 11.217 450 HD2 PRO 54 2HD PRO 54 7.224 21.509 12.206 451 HD3 PRO 54 1HD PRO 54 7.859 20.639 10.792 452 H GLY 55 H GLY 55 7.450 20.323 14.798 453 HA2 GLY 55 2HA GLY 55 9.114 20.897 17.129 454 HA3 GLY 55 1HA GLY 55 7.402 21.246 16.940 455 H ILE 56 H ILE 56 9.582 18.433 17.199 456 HA ILE 56 HA ILE 56 7.499 16.870 18.630 457 HB ILE 56 HB ILE 56 9.648 15.761 16.757 458 HG12 ILE 56 2HG1 ILE 56 8.133 17.093 15.386 459 HG13 ILE 56 1HG1 ILE 56 7.851 15.389 15.068 460 HG21 ILE 56 1HG2 ILE 56 8.318 13.684 16.813 461 HG22 ILE 56 2HG2 ILE 56 7.200 14.428 17.956 462 HG23 ILE 56 3HG2 ILE 56 8.880 14.149 18.420 463 HD11 ILE 56 1HD1 ILE 56 6.118 17.269 16.661 464 HD12 ILE 56 2HD1 ILE 56 5.848 15.527 16.554 465 HD13 ILE 56 3HD1 ILE 56 5.771 16.523 15.098 466 H THR 57 H THR 57 8.140 16.329 20.674 467 HA THR 57 HA THR 57 10.863 16.609 21.584 468 HB THR 57 HB THR 57 8.916 17.108 23.083 469 HG1 THR 57 HG1 THR 57 10.581 16.792 24.359 470 HG21 THR 57 1HG2 THR 57 7.407 15.249 22.457 471 HG22 THR 57 2HG2 THR 57 7.703 15.277 24.195 472 HG23 THR 57 3HG2 THR 57 8.526 14.089 23.182 473 H ARG 58 H ARG 58 11.839 14.703 22.909 474 HA ARG 58 HA ARG 58 12.536 12.756 20.970 475 HB2 ARG 58 2HB ARG 58 14.143 11.911 22.541 476 HB3 ARG 58 1HB ARG 58 14.096 13.651 22.762 477 HG2 ARG 58 2HG ARG 58 12.688 11.655 24.570 478 HG3 ARG 58 1HG ARG 58 14.280 12.337 24.888 479 HD2 ARG 58 2HD ARG 58 13.361 14.550 25.172 480 HD3 ARG 58 1HD ARG 58 11.776 14.032 24.587 481 HE ARG 58 HE ARG 58 12.680 12.606 26.929 482 HH11 ARG 58 1HH1 ARG 58 10.960 15.475 25.841 483 HH12 ARG 58 2HH1 ARG 58 10.090 15.672 27.326 484 HH21 ARG 58 1HH2 ARG 58 11.503 12.856 28.869 485 HH22 ARG 58 2HH2 ARG 58 10.399 14.184 29.046 486 H SER 59 H SER 59 10.246 12.693 23.619 487 HA SER 59 HA SER 59 9.953 9.871 23.870 488 HB2 SER 59 2HB SER 59 8.001 12.101 24.597 489 HB3 SER 59 1HB SER 59 7.948 10.442 25.203 490 HG SER 59 HG SER 59 9.108 12.327 26.406 491 H ILE 60 H ILE 60 8.098 12.364 22.168 492 HA ILE 60 HA ILE 60 6.154 10.659 20.968 493 HB ILE 60 HB ILE 60 7.051 13.497 20.294 494 HG12 ILE 60 2HG1 ILE 60 4.551 12.528 21.759 495 HG13 ILE 60 1HG1 ILE 60 5.998 13.142 22.553 496 HG21 ILE 60 1HG2 ILE 60 6.052 12.535 18.278 497 HG22 ILE 60 2HG2 ILE 60 4.953 13.724 18.975 498 HG23 ILE 60 3HG2 ILE 60 4.642 12.001 19.196 499 HD11 ILE 60 1HD1 ILE 60 5.659 15.312 21.445 500 HD12 ILE 60 2HD1 ILE 60 4.312 14.838 22.481 501 HD13 ILE 60 3HD1 ILE 60 4.166 14.690 20.730 502 H GLN 61 H GLN 61 9.215 12.043 19.923 503 HA GLN 61 HA GLN 61 9.246 11.297 17.218 504 HB2 GLN 61 2HB GLN 61 10.724 12.997 18.159 505 HB3 GLN 61 1HB GLN 61 11.496 11.814 19.207 506 HG2 GLN 61 2HG GLN 61 12.480 10.707 17.245 507 HG3 GLN 61 1HG GLN 61 11.660 11.856 16.181 508 HE21 GLN 61 1HE2 GLN 61 13.705 12.515 15.342 509 HE22 GLN 61 2HE2 GLN 61 14.748 13.553 16.239 510 H ASP 62 H ASP 62 10.238 9.611 20.156 511 HA ASP 62 HA ASP 62 11.388 7.321 18.878 512 HB2 ASP 62 2HB ASP 62 11.947 8.029 21.204 513 HB3 ASP 62 1HB ASP 62 10.317 7.617 21.720 514 H MET 63 H MET 63 8.125 8.064 20.198 515 HA MET 63 HA MET 63 6.880 5.564 19.838 516 HB2 MET 63 2HB MET 63 5.590 8.310 19.520 517 HB3 MET 63 1HB MET 63 4.698 6.798 19.607 518 HG2 MET 63 2HG MET 63 5.708 6.483 21.911 519 HG3 MET 63 1HG MET 63 6.276 8.146 21.789 520 HE1 MET 63 1HE MET 63 3.662 9.321 20.047 521 HE2 MET 63 2HE MET 63 4.496 10.222 21.317 522 HE3 MET 63 3HE MET 63 2.748 10.007 21.388 523 H VAL 64 H VAL 64 7.055 8.329 17.620 524 HA VAL 64 HA VAL 64 5.600 6.976 15.552 525 HB VAL 64 HB VAL 64 5.946 8.980 14.190 526 HG11 VAL 64 1HG1 VAL 64 5.149 9.649 17.056 527 HG12 VAL 64 2HG1 VAL 64 4.103 8.934 15.827 528 HG13 VAL 64 3HG1 VAL 64 4.717 10.572 15.612 529 HG21 VAL 64 1HG2 VAL 64 8.264 9.493 14.872 530 HG22 VAL 64 2HG2 VAL 64 7.690 10.018 16.454 531 HG23 VAL 64 3HG2 VAL 64 7.219 10.906 15.005 532 H ALA 65 H ALA 65 9.040 7.411 16.251 533 HA ALA 65 HA ALA 65 10.033 6.469 13.763 534 HB1 ALA 65 1HB ALA 65 11.515 7.478 15.441 535 HB2 ALA 65 2HB ALA 65 12.085 5.869 14.996 536 HB3 ALA 65 3HB ALA 65 11.243 6.119 16.530 537 H GLY 66 H GLY 66 8.877 4.814 16.695 538 HA2 GLY 66 2HA GLY 66 9.222 2.128 15.855 539 HA3 GLY 66 1HA GLY 66 8.037 2.699 17.025 540 H TYR 67 H TYR 67 6.525 4.423 15.402 541 HA TYR 67 HA TYR 67 4.725 2.588 14.189 542 HB2 TYR 67 2HB TYR 67 4.790 5.628 14.096 543 HB3 TYR 67 1HB TYR 67 3.471 4.663 13.445 544 HD1 TYR 67 HD1 TYR 67 3.867 6.794 15.938 545 HD2 TYR 67 HD2 TYR 67 3.059 2.616 15.553 546 HE1 TYR 67 HE1 TYR 67 2.745 6.811 18.122 547 HE2 TYR 67 HE2 TYR 67 1.930 2.635 17.736 548 HH TYR 67 HH TYR 67 1.072 5.522 19.350 549 H ILE 68 H ILE 68 7.152 4.817 12.841 550 HA ILE 68 HA ILE 68 6.403 4.437 10.094 551 HB ILE 68 HB ILE 68 9.079 5.488 11.164 552 HG12 ILE 68 2HG1 ILE 68 6.698 7.082 10.115 553 HG13 ILE 68 1HG1 ILE 68 7.087 6.900 11.814 554 HG21 ILE 68 1HG2 ILE 68 7.880 5.658 8.366 555 HG22 ILE 68 2HG2 ILE 68 9.265 4.675 8.843 556 HG23 ILE 68 3HG2 ILE 68 9.380 6.434 8.881 557 HD11 ILE 68 1HD1 ILE 68 7.804 9.051 10.968 558 HD12 ILE 68 2HD1 ILE 68 8.812 8.269 9.751 559 HD13 ILE 68 3HD1 ILE 68 9.194 8.090 11.466 560 H LYS 69 H LYS 69 8.807 3.032 12.290 561 HA LYS 69 HA LYS 69 10.093 1.259 10.539 562 HB2 LYS 69 2HB LYS 69 10.901 1.711 12.809 563 HB3 LYS 69 1HB LYS 69 9.466 0.968 13.503 564 HG2 LYS 69 2HG LYS 69 10.192 -1.228 12.495 565 HG3 LYS 69 1HG LYS 69 11.677 -0.433 11.960 566 HD2 LYS 69 2HD LYS 69 12.034 -1.671 14.071 567 HD3 LYS 69 1HD LYS 69 12.278 0.062 14.306 568 HE2 LYS 69 2HE LYS 69 10.006 0.245 15.266 569 HE3 LYS 69 1HE LYS 69 9.763 -1.487 15.026 570 HZ1 LYS 69 1HZ LYS 69 10.387 -1.007 17.294 571 HZ2 LYS 69 2HZ LYS 69 11.807 -0.244 16.787 572 HZ3 LYS 69 3HZ LYS 69 11.606 -1.904 16.542 573 H GLN 70 H GLN 70 7.026 0.925 12.345 574 HA GLN 70 HA GLN 70 6.465 -1.765 11.680 575 HB2 GLN 70 2HB GLN 70 4.585 0.522 12.368 576 HB3 GLN 70 1HB GLN 70 4.029 -1.125 12.099 577 HG2 GLN 70 2HG GLN 70 5.588 -1.827 13.989 578 HG3 GLN 70 1HG GLN 70 5.795 -0.112 14.335 579 HE21 GLN 70 1HE2 GLN 70 2.755 -1.615 13.263 580 HE22 GLN 70 2HE2 GLN 70 1.905 -1.344 14.738 581 H THR 71 H THR 71 5.373 1.285 10.153 582 HA THR 71 HA THR 71 3.856 0.005 8.140 583 HB THR 71 HB THR 71 3.423 2.356 8.839 584 HG1 THR 71 HG1 THR 71 3.302 1.357 6.398 585 HG21 THR 71 1HG2 THR 71 5.853 3.096 7.181 586 HG22 THR 71 2HG2 THR 71 5.738 3.217 8.936 587 HG23 THR 71 3HG2 THR 71 4.707 4.219 7.917 588 H LEU 72 H LEU 72 7.252 0.957 8.289 589 HA LEU 72 HA LEU 72 7.867 0.643 5.529 590 HB2 LEU 72 2HB LEU 72 9.612 0.499 8.013 591 HB3 LEU 72 1HB LEU 72 10.270 0.310 6.395 592 HG LEU 72 HG LEU 72 8.849 2.796 7.415 593 HD11 LEU 72 1HD1 LEU 72 11.017 2.492 8.500 594 HD12 LEU 72 2HD1 LEU 72 11.054 3.856 7.390 595 HD13 LEU 72 3HD1 LEU 72 11.808 2.326 6.929 596 HD21 LEU 72 1HD2 LEU 72 8.503 2.516 5.026 597 HD22 LEU 72 2HD2 LEU 72 10.231 2.273 4.765 598 HD23 LEU 72 3HD2 LEU 72 9.630 3.838 5.318 599 H ASP 73 H ASP 73 8.097 -1.564 8.301 600 HA ASP 73 HA ASP 73 9.208 -3.801 6.993 601 HB2 ASP 73 2HB ASP 73 9.192 -3.734 9.415 602 HB3 ASP 73 1HB ASP 73 7.447 -3.540 9.468 603 H ASN 74 H ASN 74 5.815 -2.953 7.695 604 HA ASN 74 HA ASN 74 4.683 -5.305 6.592 605 HB2 ASN 74 2HB ASN 74 3.352 -2.631 7.180 606 HB3 ASN 74 1HB ASN 74 2.505 -4.141 6.864 607 HD21 ASN 74 1HD2 ASN 74 4.483 -5.718 8.475 608 HD22 ASN 74 2HD2 ASN 74 4.081 -5.371 10.113 609 H GLU 75 H GLU 75 5.180 -2.036 5.310 610 HA GLU 75 HA GLU 75 3.775 -2.513 2.839 611 HB2 GLU 75 2HB GLU 75 3.846 -0.330 3.999 612 HB3 GLU 75 1HB GLU 75 5.571 -0.216 3.695 613 HG2 GLU 75 2HG GLU 75 5.225 0.090 1.353 614 HG3 GLU 75 1HG GLU 75 3.525 -0.368 1.474 615 H GLN 76 H GLN 76 7.063 -2.879 3.930 616 HA GLN 76 HA GLN 76 8.338 -3.271 1.400 617 HB2 GLN 76 2HB GLN 76 9.614 -2.912 3.475 618 HB3 GLN 76 1HB GLN 76 8.971 -4.394 4.166 619 HG2 GLN 76 2HG GLN 76 10.203 -5.714 2.489 620 HG3 GLN 76 1HG GLN 76 10.830 -4.228 1.776 621 HE21 GLN 76 1HE2 GLN 76 10.478 -4.783 5.263 622 HE22 GLN 76 2HE2 GLN 76 12.166 -4.803 5.609 623 H LEU 77 H LEU 77 6.646 -5.394 3.674 624 HA LEU 77 HA LEU 77 6.946 -7.803 2.152 625 HB2 LEU 77 2HB LEU 77 5.006 -7.100 4.384 626 HB3 LEU 77 1HB LEU 77 5.235 -8.718 3.735 627 HG LEU 77 HG LEU 77 7.346 -7.081 5.195 628 HD11 LEU 77 1HD1 LEU 77 5.612 -7.862 6.720 629 HD12 LEU 77 2HD1 LEU 77 7.123 -8.719 7.009 630 HD13 LEU 77 3HD1 LEU 77 5.808 -9.518 6.141 631 HD21 LEU 77 1HD2 LEU 77 8.392 -8.478 3.508 632 HD22 LEU 77 2HD2 LEU 77 7.519 -9.899 4.088 633 HD23 LEU 77 3HD2 LEU 77 8.728 -9.122 5.115 634 H LEU 78 H LEU 78 4.474 -5.260 2.313 635 HA LEU 78 HA LEU 78 2.576 -6.415 0.535 636 HB2 LEU 78 2HB LEU 78 3.232 -3.475 1.028 637 HB3 LEU 78 1HB LEU 78 1.856 -4.033 0.093 638 HG LEU 78 HG LEU 78 2.241 -4.594 3.054 639 HD11 LEU 78 1HD1 LEU 78 1.959 -2.173 2.563 640 HD12 LEU 78 2HD1 LEU 78 0.623 -2.850 3.482 641 HD13 LEU 78 3HD1 LEU 78 0.428 -2.530 1.757 642 HD21 LEU 78 1HD2 LEU 78 0.861 -6.284 1.923 643 HD22 LEU 78 2HD2 LEU 78 -0.183 -5.020 1.271 644 HD23 LEU 78 3HD2 LEU 78 -0.110 -5.296 3.012 645 H LYS 79 H LYS 79 5.516 -4.492 0.073 646 HA LYS 79 HA LYS 79 5.231 -3.854 -2.637 647 HB2 LYS 79 2HB LYS 79 6.943 -2.801 -1.175 648 HB3 LYS 79 1HB LYS 79 7.835 -4.320 -1.114 649 HG2 LYS 79 2HG LYS 79 8.161 -4.200 -3.578 650 HG3 LYS 79 1HG LYS 79 7.320 -2.647 -3.597 651 HD2 LYS 79 2HD LYS 79 9.084 -1.637 -2.225 652 HD3 LYS 79 1HD LYS 79 9.889 -3.204 -2.066 653 HE2 LYS 79 2HE LYS 79 11.016 -1.846 -3.754 654 HE3 LYS 79 1HE LYS 79 10.266 -3.248 -4.518 655 HZ1 LYS 79 1HZ LYS 79 9.870 -1.272 -5.820 656 HZ2 LYS 79 2HZ LYS 79 9.196 -0.475 -4.494 657 HZ3 LYS 79 3HZ LYS 79 8.404 -1.806 -5.170 658 H GLY 80 H GLY 80 7.169 -6.484 -1.166 659 HA2 GLY 80 2HA GLY 80 7.869 -7.808 -3.543 660 HA3 GLY 80 1HA GLY 80 7.848 -8.529 -1.941 661 H LEU 81 H LEU 81 5.171 -8.442 -1.292 662 HA LEU 81 HA LEU 81 4.295 -10.858 -2.480 663 HB2 LEU 81 2HB LEU 81 3.894 -10.011 -0.117 664 HB3 LEU 81 1HB LEU 81 2.647 -8.964 -0.754 665 HG LEU 81 HG LEU 81 2.513 -12.009 -0.994 666 HD11 LEU 81 1HD1 LEU 81 1.317 -10.283 1.204 667 HD12 LEU 81 2HD1 LEU 81 2.659 -11.416 1.380 668 HD13 LEU 81 3HD1 LEU 81 1.057 -12.019 0.977 669 HD21 LEU 81 1HD2 LEU 81 0.998 -10.821 -2.522 670 HD22 LEU 81 2HD2 LEU 81 0.315 -9.915 -1.172 671 HD23 LEU 81 3HD2 LEU 81 0.093 -11.665 -1.268 672 H LEU 82 H LEU 82 2.854 -7.561 -2.619 673 HA LEU 82 HA LEU 82 0.800 -8.269 -4.445 674 HB2 LEU 82 2HB LEU 82 1.890 -5.495 -3.832 675 HB3 LEU 82 1HB LEU 82 0.381 -5.835 -4.661 676 HG LEU 82 HG LEU 82 1.008 -6.439 -1.743 677 HD11 LEU 82 1HD1 LEU 82 -0.917 -4.430 -2.967 678 HD12 LEU 82 2HD1 LEU 82 0.605 -4.065 -2.149 679 HD13 LEU 82 3HD1 LEU 82 -0.730 -4.768 -1.242 680 HD21 LEU 82 1HD2 LEU 82 -1.539 -7.010 -3.280 681 HD22 LEU 82 2HD2 LEU 82 -1.315 -7.195 -1.539 682 HD23 LEU 82 3HD2 LEU 82 -0.403 -8.206 -2.654 683 H GLN 83 H GLN 83 4.115 -7.103 -4.929 684 HA GLN 83 HA GLN 83 3.934 -6.460 -7.688 685 HB2 GLN 83 2HB GLN 83 5.826 -5.813 -6.217 686 HB3 GLN 83 1HB GLN 83 6.329 -7.493 -6.114 687 HG2 GLN 83 2HG GLN 83 6.882 -7.493 -8.503 688 HG3 GLN 83 1HG GLN 83 6.296 -5.837 -8.655 689 HE21 GLN 83 1HE2 GLN 83 8.176 -7.001 -5.888 690 HE22 GLN 83 2HE2 GLN 83 9.592 -6.079 -6.230 691 H GLN 84 H GLN 84 4.705 -9.498 -6.001 692 HA GLN 84 HA GLN 84 5.108 -11.146 -8.276 693 HB2 GLN 84 2HB GLN 84 4.110 -11.882 -5.494 694 HB3 GLN 84 1HB GLN 84 4.589 -13.054 -6.720 695 HG2 GLN 84 2HG GLN 84 6.884 -12.163 -6.686 696 HG3 GLN 84 1HG GLN 84 6.411 -10.976 -5.477 697 HE21 GLN 84 1HE2 GLN 84 5.354 -14.361 -5.513 698 HE22 GLN 84 2HE2 GLN 84 6.196 -14.817 -4.080 699 H ARG 85 H ARG 85 2.234 -10.391 -6.337 700 HA ARG 85 HA ARG 85 0.373 -12.052 -7.594 701 HB2 ARG 85 2HB ARG 85 -0.076 -9.337 -6.290 702 HB3 ARG 85 1HB ARG 85 -1.360 -10.453 -6.722 703 HG2 ARG 85 2HG ARG 85 0.829 -11.170 -4.761 704 HG3 ARG 85 1HG ARG 85 -0.669 -10.381 -4.281 705 HD2 ARG 85 2HD ARG 85 -1.088 -12.626 -3.848 706 HD3 ARG 85 1HD ARG 85 -1.858 -12.383 -5.409 707 HE ARG 85 HE ARG 85 0.327 -13.405 -6.318 708 HH11 ARG 85 1HH1 ARG 85 -1.148 -14.346 -3.232 709 HH12 ARG 85 2HH1 ARG 85 -0.513 -15.961 -3.292 710 HH21 ARG 85 1HH2 ARG 85 1.057 -15.581 -6.404 711 HH22 ARG 85 2HH2 ARG 85 0.728 -16.657 -5.078 712 H LEU 86 H LEU 86 1.298 -8.670 -8.329 713 HA LEU 86 HA LEU 86 -0.575 -8.217 -10.402 714 HB2 LEU 86 2HB LEU 86 2.073 -6.860 -9.771 715 HB3 LEU 86 1HB LEU 86 1.001 -6.305 -11.048 716 HG LEU 86 HG LEU 86 0.304 -6.387 -8.086 717 HD11 LEU 86 1HD1 LEU 86 0.409 -3.939 -8.192 718 HD12 LEU 86 2HD1 LEU 86 0.942 -4.020 -9.873 719 HD13 LEU 86 3HD1 LEU 86 1.964 -4.669 -8.587 720 HD21 LEU 86 1HD2 LEU 86 -1.304 -5.343 -10.436 721 HD22 LEU 86 2HD2 LEU 86 -1.722 -5.138 -8.734 722 HD23 LEU 86 3HD2 LEU 86 -1.684 -6.751 -9.440 723 H ASP 87 H ASP 87 2.725 -9.460 -10.412 724 HA ASP 87 HA ASP 87 3.211 -9.518 -13.186 725 HB2 ASP 87 2HB ASP 87 4.989 -9.875 -11.514 726 HB3 ASP 87 1HB ASP 87 4.242 -11.380 -10.989 727 H GLU 88 H GLU 88 1.805 -11.933 -11.004 728 HA GLU 88 HA GLU 88 1.252 -13.965 -12.906 729 HB2 GLU 88 2HB GLU 88 -0.027 -13.381 -10.203 730 HB3 GLU 88 1HB GLU 88 -0.247 -14.876 -11.111 731 HG2 GLU 88 2HG GLU 88 2.071 -15.474 -10.860 732 HG3 GLU 88 1HG GLU 88 2.476 -13.888 -10.208 733 H LEU 89 H LEU 89 -0.887 -11.504 -11.410 734 HA LEU 89 HA LEU 89 -3.280 -12.134 -12.676 735 HB2 LEU 89 2HB LEU 89 -2.372 -9.378 -11.707 736 HB3 LEU 89 1HB LEU 89 -4.023 -9.801 -12.120 737 HG LEU 89 HG LEU 89 -2.433 -10.919 -9.778 738 HD11 LEU 89 1HD1 LEU 89 -3.108 -8.593 -9.428 739 HD12 LEU 89 2HD1 LEU 89 -4.002 -9.668 -8.358 740 HD13 LEU 89 3HD1 LEU 89 -4.786 -9.000 -9.793 741 HD21 LEU 89 1HD2 LEU 89 -3.948 -12.624 -10.655 742 HD22 LEU 89 2HD2 LEU 89 -5.302 -11.497 -10.546 743 HD23 LEU 89 3HD2 LEU 89 -4.487 -12.044 -9.080 744 H SER 90 H SER 90 -0.700 -9.899 -13.669 745 HA SER 90 HA SER 90 -1.894 -8.761 -15.948 746 HB2 SER 90 2HB SER 90 0.182 -7.869 -14.940 747 HB3 SER 90 1HB SER 90 1.061 -9.319 -15.421 748 HG SER 90 HG SER 90 1.412 -8.340 -17.241 749 H SER 91 H SER 91 0.244 -11.612 -15.610 750 HA SER 91 HA SER 91 0.268 -12.373 -18.333 751 HB2 SER 91 2HB SER 91 1.878 -13.186 -16.575 752 HB3 SER 91 1HB SER 91 0.593 -14.190 -15.906 753 HG SER 91 HG SER 91 2.186 -14.623 -18.095 754 H LEU 92 H LEU 92 -1.897 -13.271 -15.659 755 HA LEU 92 HA LEU 92 -3.361 -15.331 -16.892 756 HB2 LEU 92 2HB LEU 92 -4.159 -13.412 -14.668 757 HB3 LEU 92 1HB LEU 92 -5.103 -14.819 -15.120 758 HG LEU 92 HG LEU 92 -2.279 -14.904 -13.994 759 HD11 LEU 92 1HD1 LEU 92 -3.888 -14.174 -12.299 760 HD12 LEU 92 2HD1 LEU 92 -3.277 -15.786 -11.940 761 HD13 LEU 92 3HD1 LEU 92 -4.895 -15.589 -12.621 762 HD21 LEU 92 1HD2 LEU 92 -4.170 -17.182 -14.633 763 HD22 LEU 92 2HD2 LEU 92 -2.612 -17.332 -13.813 764 HD23 LEU 92 3HD2 LEU 92 -2.675 -16.784 -15.486 765 H ILE 93 H ILE 93 -4.102 -11.866 -16.553 766 HA ILE 93 HA ILE 93 -6.501 -11.719 -18.021 767 HB ILE 93 HB ILE 93 -4.329 -9.584 -17.661 768 HG12 ILE 93 2HG1 ILE 93 -6.914 -9.909 -16.070 769 HG13 ILE 93 1HG1 ILE 93 -5.357 -10.519 -15.530 770 HG21 ILE 93 1HG2 ILE 93 -5.796 -8.957 -19.530 771 HG22 ILE 93 2HG2 ILE 93 -6.090 -7.901 -18.149 772 HG23 ILE 93 3HG2 ILE 93 -7.225 -9.199 -18.521 773 HD11 ILE 93 1HD1 ILE 93 -4.472 -8.240 -15.502 774 HD12 ILE 93 2HD1 ILE 93 -5.877 -8.430 -14.456 775 HD13 ILE 93 3HD1 ILE 93 -6.048 -7.627 -16.016 776 H GLY 94 H GLY 94 -3.096 -11.482 -18.995 777 HA2 GLY 94 2HA GLY 94 -3.430 -10.717 -21.682 778 HA3 GLY 94 1HA GLY 94 -2.035 -11.553 -21.018 779 H GLN 95 H GLN 95 -3.558 -13.916 -20.159 780 HA GLN 95 HA GLN 95 -3.358 -15.399 -22.639 781 HB2 GLN 95 2HB GLN 95 -4.111 -16.385 -19.853 782 HB3 GLN 95 1HB GLN 95 -3.736 -17.413 -21.231 783 HG2 GLN 95 2HG GLN 95 -1.825 -15.575 -19.767 784 HG3 GLN 95 1HG GLN 95 -1.843 -17.331 -19.725 785 HE21 GLN 95 1HE2 GLN 95 -1.048 -18.481 -21.537 786 HE22 GLN 95 2HE2 GLN 95 -0.060 -17.734 -22.740 787 H VAL 96 H VAL 96 -6.004 -14.269 -20.562 788 HA VAL 96 HA VAL 96 -7.964 -15.951 -21.997 789 HB VAL 96 HB VAL 96 -9.589 -15.345 -20.227 790 HG11 VAL 96 1HG1 VAL 96 -8.187 -17.347 -19.977 791 HG12 VAL 96 2HG1 VAL 96 -8.541 -16.631 -18.407 792 HG13 VAL 96 3HG1 VAL 96 -6.951 -16.403 -19.140 793 HG21 VAL 96 1HG2 VAL 96 -8.758 -13.096 -19.623 794 HG22 VAL 96 2HG2 VAL 96 -7.311 -13.805 -18.909 795 HG23 VAL 96 3HG2 VAL 96 -8.895 -14.124 -18.196 796 H LEU 97 H LEU 97 -7.381 -12.496 -21.286 797 HA LEU 97 HA LEU 97 -9.503 -11.540 -23.006 798 HB2 LEU 97 2HB LEU 97 -8.336 -10.308 -21.002 799 HB3 LEU 97 1HB LEU 97 -7.051 -9.937 -22.127 800 HG LEU 97 HG LEU 97 -9.942 -8.954 -22.279 801 HD11 LEU 97 1HD1 LEU 97 -8.999 -6.735 -21.838 802 HD12 LEU 97 2HD1 LEU 97 -7.379 -7.424 -21.720 803 HD13 LEU 97 3HD1 LEU 97 -8.613 -7.859 -20.536 804 HD21 LEU 97 1HD2 LEU 97 -9.272 -7.530 -24.171 805 HD22 LEU 97 2HD2 LEU 97 -9.126 -9.239 -24.570 806 HD23 LEU 97 3HD2 LEU 97 -7.680 -8.299 -24.200 807 H PHE 98 H PHE 98 -9.337 -12.013 -25.161 808 HA PHE 98 HA PHE 98 -6.845 -12.230 -26.579 809 HB2 PHE 98 2HB PHE 98 -9.658 -11.907 -27.736 810 HB3 PHE 98 1HB PHE 98 -8.230 -12.440 -28.616 811 HD1 PHE 98 HD1 PHE 98 -6.983 -14.503 -27.193 812 HD2 PHE 98 HD2 PHE 98 -11.171 -13.645 -27.341 813 HE1 PHE 98 HE1 PHE 98 -7.489 -16.845 -26.642 814 HE2 PHE 98 HE2 PHE 98 -11.665 -15.989 -26.786 815 HZ PHE 98 HZ PHE 98 -9.827 -17.589 -26.432 816 H GLN 99 H GLN 99 -5.657 -10.375 -26.553 817 HA GLN 99 HA GLN 99 -6.888 -7.750 -26.775 818 HB2 GLN 99 2HB GLN 99 -4.566 -6.892 -26.426 819 HB3 GLN 99 1HB GLN 99 -5.137 -7.963 -25.160 820 HG2 GLN 99 2HG GLN 99 -2.919 -8.609 -25.446 821 HG3 GLN 99 1HG GLN 99 -3.808 -9.817 -26.362 822 HE21 GLN 99 1HE2 GLN 99 -3.157 -6.544 -27.554 823 HE22 GLN 99 2HE2 GLN 99 -2.042 -7.027 -28.780 824 H GLY 100 H GLY 100 -5.913 -10.015 -28.992 825 HA2 GLY 100 2HA GLY 100 -6.394 -8.447 -31.254 826 HA3 GLY 100 1HA GLY 100 -4.645 -8.549 -31.036 827 HA PRO 101 HA PRO 101 -4.509 -12.635 -32.867 828 HB2 PRO 101 2HB PRO 101 -2.927 -13.641 -30.510 829 HB3 PRO 101 1HB PRO 101 -2.491 -13.608 -32.233 830 HG2 PRO 101 2HG PRO 101 -1.354 -11.905 -30.541 831 HG3 PRO 101 1HG PRO 101 -1.826 -11.371 -32.173 832 HD2 PRO 101 2HD PRO 101 -3.263 -10.924 -29.554 833 HD3 PRO 101 1HD PRO 101 -2.949 -9.777 -30.877 834 H SER 102 H SER 102 -5.375 -14.727 -32.757 835 HA SER 102 HA SER 102 -6.752 -16.421 -32.239 836 HB2 SER 102 2HB SER 102 -6.393 -15.642 -29.318 837 HB3 SER 102 1HB SER 102 -6.959 -17.196 -29.932 838 HG SER 102 HG SER 102 -4.373 -16.070 -30.044 839 H ALA 103 H ALA 103 -7.688 -13.456 -32.350 840 HA ALA 103 HA ALA 103 -10.506 -13.944 -31.534 841 HB1 ALA 103 1HB ALA 103 -10.770 -11.494 -31.522 842 HB2 ALA 103 2HB ALA 103 -9.080 -11.292 -31.991 843 HB3 ALA 103 3HB ALA 103 -9.485 -11.995 -30.424 844 H GLY 104 H GLY 104 -12.011 -14.062 -33.122 845 HA2 GLY 104 2HA GLY 104 -11.286 -14.327 -35.856 846 HA3 GLY 104 1HA GLY 104 -12.922 -14.302 -35.224 847 H LEU 105 H LEU 105 -12.508 -11.641 -34.012 848 HA LEU 105 HA LEU 105 -12.325 -9.875 -36.384 849 HB2 LEU 105 2HB LEU 105 -14.138 -8.453 -35.241 850 HB3 LEU 105 1HB LEU 105 -14.649 -9.937 -36.013 851 HG LEU 105 HG LEU 105 -14.692 -11.026 -33.701 852 HD11 LEU 105 1HD1 LEU 105 -14.912 -9.599 -31.719 853 HD12 LEU 105 2HD1 LEU 105 -14.467 -8.184 -32.676 854 HD13 LEU 105 3HD1 LEU 105 -13.300 -9.485 -32.426 855 HD21 LEU 105 1HD2 LEU 105 -16.602 -8.721 -34.174 856 HD22 LEU 105 2HD2 LEU 105 -16.887 -10.104 -33.112 857 HD23 LEU 105 3HD2 LEU 105 -16.736 -10.347 -34.849 858 H VAL 106 H VAL 106 -12.086 -7.493 -35.598 859 HA VAL 106 HA VAL 106 -9.828 -7.194 -33.907 860 HB VAL 106 HB VAL 106 -11.847 -5.077 -34.799 861 HG11 VAL 106 1HG1 VAL 106 -10.078 -3.416 -34.349 862 HG12 VAL 106 2HG1 VAL 106 -9.027 -4.693 -33.732 863 HG13 VAL 106 3HG1 VAL 106 -10.522 -4.297 -32.884 864 HG21 VAL 106 1HG2 VAL 106 -9.207 -5.864 -36.097 865 HG22 VAL 106 2HG2 VAL 106 -10.269 -4.555 -36.623 866 HG23 VAL 106 3HG2 VAL 106 -10.817 -6.228 -36.723 867 HA PRO 107 HA PRO 107 -12.497 -7.551 -30.235 868 HB2 PRO 107 2HB PRO 107 -10.655 -8.436 -28.507 869 HB3 PRO 107 1HB PRO 107 -11.058 -9.408 -29.938 870 HG2 PRO 107 2HG PRO 107 -8.679 -7.655 -29.466 871 HG3 PRO 107 1HG PRO 107 -8.766 -9.243 -30.255 872 HD2 PRO 107 2HD PRO 107 -8.750 -6.745 -31.576 873 HD3 PRO 107 1HD PRO 107 -9.204 -8.307 -32.298 874 H ARG 108 H ARG 108 -11.587 -4.878 -31.005 875 HA ARG 108 HA ARG 108 -10.626 -3.557 -28.614 876 HB2 ARG 108 2HB ARG 108 -9.998 -2.712 -30.858 877 HB3 ARG 108 1HB ARG 108 -11.689 -2.401 -31.235 878 HG2 ARG 108 2HG ARG 108 -11.782 -0.683 -29.469 879 HG3 ARG 108 1HG ARG 108 -10.107 -1.022 -29.034 880 HD2 ARG 108 2HD ARG 108 -11.037 0.054 -31.719 881 HD3 ARG 108 1HD ARG 108 -10.326 1.019 -30.425 882 HE ARG 108 HE ARG 108 -8.961 -0.662 -32.315 883 HH11 ARG 108 1HH1 ARG 108 -8.638 0.819 -29.113 884 HH12 ARG 108 2HH1 ARG 108 -6.907 0.744 -29.141 885 HH21 ARG 108 1HH2 ARG 108 -6.710 -0.759 -32.303 886 HH22 ARG 108 2HH2 ARG 108 -5.817 -0.151 -30.945 887 H GLY 109 H GLY 109 -12.317 -4.501 -27.276 888 HA2 GLY 109 2HA GLY 109 -14.833 -2.906 -27.243 889 HA3 GLY 109 1HA GLY 109 -14.790 -4.626 -26.864 890 H SER 110 H SER 110 -12.751 -1.878 -26.014 891 HA SER 110 HA SER 110 -12.210 -2.813 -23.377 892 HB2 SER 110 2HB SER 110 -11.687 -0.059 -24.552 893 HB3 SER 110 1HB SER 110 -10.841 -0.818 -23.206 894 HG SER 110 HG SER 110 -10.264 -2.494 -24.814 895 H GLY 111 H GLY 111 -13.976 -2.911 -22.077 896 HA2 GLY 111 2HA GLY 111 -15.026 -1.132 -20.460 897 HA3 GLY 111 1HA GLY 111 -15.907 -0.682 -21.919 898 H GLY 112 H GLY 112 -15.776 -3.645 -22.729 899 HA2 GLY 112 2HA GLY 112 -16.915 -5.358 -20.884 900 HA3 GLY 112 1HA GLY 112 -18.267 -4.499 -21.614 901 H ILE 113 H ILE 113 -16.611 -7.275 -21.796 902 HA ILE 113 HA ILE 113 -16.934 -7.695 -24.697 903 HB ILE 113 HB ILE 113 -15.867 -9.675 -22.600 904 HG12 ILE 113 2HG1 ILE 113 -13.545 -9.062 -23.716 905 HG13 ILE 113 1HG1 ILE 113 -14.336 -7.560 -24.166 906 HG21 ILE 113 1HG2 ILE 113 -16.611 -10.751 -24.685 907 HG22 ILE 113 2HG2 ILE 113 -14.860 -10.860 -24.520 908 HG23 ILE 113 3HG2 ILE 113 -15.566 -9.686 -25.632 909 HD11 ILE 113 1HD1 ILE 113 -13.916 -8.591 -21.356 910 HD12 ILE 113 2HD1 ILE 113 -14.714 -7.074 -21.780 911 HD13 ILE 113 3HD1 ILE 113 -13.006 -7.308 -22.153 912 H GLU 114 H GLU 114 -18.181 -9.846 -25.237 913 HA GLU 114 HA GLU 114 -20.514 -10.185 -23.453 914 HB2 GLU 114 2HB GLU 114 -21.597 -11.368 -25.366 915 HB3 GLU 114 1HB GLU 114 -21.165 -9.714 -25.743 916 HG2 GLU 114 2HG GLU 114 -19.439 -12.045 -26.586 917 HG3 GLU 114 1HG GLU 114 -20.793 -11.486 -27.563 918 H GLY 115 H GLY 115 -20.843 -12.028 -22.345 919 HA2 GLY 115 2HA GLY 115 -20.798 -14.435 -22.161 920 HA3 GLY 115 1HA GLY 115 -19.207 -14.449 -22.909 921 H SER 428 H SER 428 -19.100 -15.878 -20.845 922 HA SER 428 HA SER 428 -18.809 -14.716 -18.270 923 HB2 SER 428 2HB SER 428 -19.287 -17.117 -18.646 924 HB3 SER 428 1HB SER 428 -17.688 -17.334 -19.359 925 HG SER 428 HG SER 428 -18.304 -16.585 -16.686 926 H ILE 429 H ILE 429 -16.662 -15.014 -20.988 927 HA ILE 429 HA ILE 429 -14.138 -14.633 -19.859 928 HB ILE 429 HB ILE 429 -14.415 -15.185 -22.207 929 HG12 ILE 429 2HG1 ILE 429 -12.342 -13.724 -21.437 930 HG13 ILE 429 1HG1 ILE 429 -12.593 -14.059 -23.139 931 HG21 ILE 429 1HG2 ILE 429 -15.217 -13.601 -23.908 932 HG22 ILE 429 2HG2 ILE 429 -15.616 -12.442 -22.636 933 HG23 ILE 429 3HG2 ILE 429 -16.457 -13.993 -22.710 934 HD11 ILE 429 1HD1 ILE 429 -13.261 -11.468 -21.739 935 HD12 ILE 429 2HD1 ILE 429 -13.484 -11.803 -23.458 936 HD13 ILE 429 3HD1 ILE 429 -11.863 -11.780 -22.767 937 H ASP 430 H ASP 430 -16.670 -12.276 -20.586 938 HA ASP 430 HA ASP 430 -15.339 -9.873 -20.070 939 HB2 ASP 430 2HB ASP 430 -17.538 -9.909 -21.102 940 HB3 ASP 430 1HB ASP 430 -18.256 -10.653 -19.681 941 H GLU 431 H GLU 431 -17.187 -11.992 -17.881 942 HA GLU 431 HA GLU 431 -17.046 -10.375 -15.574 943 HB2 GLU 431 2HB GLU 431 -17.459 -13.385 -15.825 944 HB3 GLU 431 1HB GLU 431 -17.684 -12.472 -14.335 945 HG2 GLU 431 2HG GLU 431 -19.475 -11.139 -15.475 946 HG3 GLU 431 1HG GLU 431 -19.298 -12.175 -16.890 947 H THR 432 H THR 432 -15.086 -13.234 -16.530 948 HA THR 432 HA THR 432 -13.554 -13.263 -14.146 949 HB THR 432 HB THR 432 -13.809 -15.281 -15.547 950 HG1 THR 432 HG1 THR 432 -12.130 -15.575 -14.241 951 HG21 THR 432 1HG2 THR 432 -13.559 -14.300 -17.802 952 HG22 THR 432 2HG2 THR 432 -12.425 -15.631 -17.555 953 HG23 THR 432 3HG2 THR 432 -11.857 -13.962 -17.471 954 H VAL 433 H VAL 433 -12.851 -11.889 -17.384 955 HA VAL 433 HA VAL 433 -10.293 -10.852 -16.816 956 HB VAL 433 HB VAL 433 -12.432 -9.878 -18.765 957 HG11 VAL 433 1HG1 VAL 433 -10.700 -8.470 -19.851 958 HG12 VAL 433 2HG1 VAL 433 -9.578 -8.840 -18.542 959 HG13 VAL 433 3HG1 VAL 433 -11.048 -7.926 -18.207 960 HG21 VAL 433 1HG2 VAL 433 -9.826 -11.380 -19.232 961 HG22 VAL 433 2HG2 VAL 433 -10.970 -10.888 -20.483 962 HG23 VAL 433 3HG2 VAL 433 -11.446 -12.080 -19.273 963 H ALA 434 H ALA 434 -13.547 -9.499 -16.315 964 HA ALA 434 HA ALA 434 -12.824 -6.920 -15.460 965 HB1 ALA 434 1HB ALA 434 -15.094 -6.780 -14.530 966 HB2 ALA 434 2HB ALA 434 -15.282 -8.530 -14.685 967 HB3 ALA 434 3HB ALA 434 -15.112 -7.528 -16.126 968 H ARG 435 H ARG 435 -13.004 -9.981 -13.665 969 HA ARG 435 HA ARG 435 -12.829 -8.802 -11.043 970 HB2 ARG 435 2HB ARG 435 -12.180 -11.671 -11.864 971 HB3 ARG 435 1HB ARG 435 -12.482 -11.100 -10.226 972 HG2 ARG 435 2HG ARG 435 -14.463 -11.380 -12.491 973 HG3 ARG 435 1HG ARG 435 -14.459 -12.225 -10.948 974 HD2 ARG 435 2HD ARG 435 -15.024 -10.159 -9.773 975 HD3 ARG 435 1HD ARG 435 -14.917 -9.238 -11.279 976 HE ARG 435 HE ARG 435 -16.852 -11.433 -11.149 977 HH11 ARG 435 1HH1 ARG 435 -16.349 -7.925 -11.058 978 HH12 ARG 435 2HH1 ARG 435 -18.019 -7.569 -11.363 979 HH21 ARG 435 1HH2 ARG 435 -19.008 -10.939 -11.522 980 HH22 ARG 435 2HH2 ARG 435 -19.529 -9.287 -11.626 981 H TYR 436 H TYR 436 -10.491 -10.580 -13.096 982 HA TYR 436 HA TYR 436 -8.271 -10.244 -11.353 983 HB2 TYR 436 2HB TYR 436 -8.484 -11.043 -14.279 984 HB3 TYR 436 1HB TYR 436 -6.925 -10.911 -13.472 985 HD1 TYR 436 HD1 TYR 436 -6.316 -12.497 -11.657 986 HD2 TYR 436 HD2 TYR 436 -9.976 -12.942 -13.796 987 HE1 TYR 436 HE1 TYR 436 -6.532 -14.789 -10.803 988 HE2 TYR 436 HE2 TYR 436 -10.204 -15.233 -12.940 989 HH TYR 436 HH TYR 436 -8.689 -17.037 -12.068 990 H LYS 437 H LYS 437 -9.564 -8.271 -13.950 991 HA LYS 437 HA LYS 437 -7.247 -6.571 -14.267 992 HB2 LYS 437 2HB LYS 437 -8.765 -7.004 -16.162 993 HB3 LYS 437 1HB LYS 437 -10.102 -6.260 -15.294 994 HG2 LYS 437 2HG LYS 437 -8.794 -4.089 -15.321 995 HG3 LYS 437 1HG LYS 437 -7.619 -4.882 -16.378 996 HD2 LYS 437 2HD LYS 437 -9.329 -5.231 -18.095 997 HD3 LYS 437 1HD LYS 437 -10.586 -4.609 -17.019 998 HE2 LYS 437 2HE LYS 437 -8.261 -3.023 -18.160 999 HE3 LYS 437 1HE LYS 437 -9.951 -2.907 -18.645 1000 HZ1 LYS 437 1HZ LYS 437 -8.868 -2.203 -15.962 1001 HZ2 LYS 437 2HZ LYS 437 -10.492 -2.119 -16.408 1002 HZ3 LYS 437 3HZ LYS 437 -9.364 -1.109 -17.152 1003 H ALA 438 H ALA 438 -10.416 -6.332 -12.643 1004 HA ALA 438 HA ALA 438 -10.177 -3.719 -11.632 1005 HB1 ALA 438 1HB ALA 438 -11.790 -4.390 -9.900 1006 HB2 ALA 438 2HB ALA 438 -11.542 -6.091 -10.311 1007 HB3 ALA 438 3HB ALA 438 -12.275 -4.996 -11.484 1008 H GLN 439 H GLN 439 -9.293 -6.844 -10.116 1009 HA GLN 439 HA GLN 439 -8.064 -5.760 -7.815 1010 HB2 GLN 439 2HB GLN 439 -7.575 -8.459 -9.147 1011 HB3 GLN 439 1HB GLN 439 -7.024 -8.019 -7.536 1012 HG2 GLN 439 2HG GLN 439 -9.855 -8.480 -8.478 1013 HG3 GLN 439 1HG GLN 439 -8.961 -9.344 -7.230 1014 HE21 GLN 439 1HE2 GLN 439 -10.914 -6.592 -7.954 1015 HE22 GLN 439 2HE2 GLN 439 -11.049 -5.999 -6.337 1016 H PHE 440 H PHE 440 -6.806 -6.471 -11.042 1017 HA PHE 440 HA PHE 440 -4.051 -6.222 -10.509 1018 HB2 PHE 440 2HB PHE 440 -4.921 -7.150 -12.637 1019 HB3 PHE 440 1HB PHE 440 -5.551 -5.568 -13.088 1020 HD1 PHE 440 HD1 PHE 440 -2.315 -7.149 -12.021 1021 HD2 PHE 440 HD2 PHE 440 -4.223 -4.308 -14.587 1022 HE1 PHE 440 HE1 PHE 440 -0.157 -6.640 -13.070 1023 HE2 PHE 440 HE2 PHE 440 -2.051 -3.805 -15.631 1024 HZ PHE 440 HZ PHE 440 -0.017 -4.966 -14.869 1025 H THR 441 H THR 441 -6.279 -3.783 -11.913 1026 HA THR 441 HA THR 441 -4.483 -1.631 -11.931 1027 HB THR 441 HB THR 441 -7.538 -1.559 -11.875 1028 HG1 THR 441 HG1 THR 441 -5.663 -1.823 -14.001 1029 HG21 THR 441 1HG2 THR 441 -7.331 0.577 -13.107 1030 HG22 THR 441 2HG2 THR 441 -5.580 0.528 -12.909 1031 HG23 THR 441 3HG2 THR 441 -6.620 0.696 -11.494 1032 H GLN 442 H GLN 442 -6.749 -2.695 -9.426 1033 HA GLN 442 HA GLN 442 -6.545 -0.398 -7.727 1034 HB2 GLN 442 2HB GLN 442 -7.543 -3.231 -7.256 1035 HB3 GLN 442 1HB GLN 442 -7.611 -1.983 -6.012 1036 HG2 GLN 442 2HG GLN 442 -9.125 -0.647 -7.317 1037 HG3 GLN 442 1HG GLN 442 -8.911 -1.668 -8.735 1038 HE21 GLN 442 1HE2 GLN 442 -9.132 -4.192 -7.290 1039 HE22 GLN 442 2HE2 GLN 442 -10.789 -4.348 -6.837 1040 H LEU 443 H LEU 443 -5.051 -3.667 -7.549 1041 HA LEU 443 HA LEU 443 -3.292 -3.019 -5.381 1042 HB2 LEU 443 2HB LEU 443 -3.425 -5.324 -7.341 1043 HB3 LEU 443 1HB LEU 443 -2.009 -5.139 -6.328 1044 HG LEU 443 HG LEU 443 -3.436 -5.374 -4.288 1045 HD11 LEU 443 1HD1 LEU 443 -5.575 -4.564 -5.205 1046 HD12 LEU 443 2HD1 LEU 443 -5.723 -6.113 -4.382 1047 HD13 LEU 443 3HD1 LEU 443 -5.722 -6.049 -6.146 1048 HD21 LEU 443 1HD2 LEU 443 -3.682 -7.680 -6.249 1049 HD22 LEU 443 2HD2 LEU 443 -3.834 -7.792 -4.492 1050 HD23 LEU 443 3HD2 LEU 443 -2.294 -7.333 -5.214 1051 H ASP 444 H ASP 444 -3.194 -2.291 -8.745 1052 HA ASP 444 HA ASP 444 -0.312 -2.075 -9.015 1053 HB2 ASP 444 2HB ASP 444 -1.742 -2.695 -10.960 1054 HB3 ASP 444 1HB ASP 444 -2.509 -1.111 -10.905 1055 H THR 445 H THR 445 -3.055 0.242 -8.820 1056 HA THR 445 HA THR 445 -1.415 2.561 -8.707 1057 HB THR 445 HB THR 445 -3.797 2.802 -9.288 1058 HG1 THR 445 HG1 THR 445 -3.255 4.726 -8.553 1059 HG21 THR 445 1HG2 THR 445 -4.811 1.109 -7.805 1060 HG22 THR 445 2HG2 THR 445 -5.583 2.683 -7.598 1061 HG23 THR 445 3HG2 THR 445 -4.426 2.102 -6.398 1062 H MET 446 H MET 446 -2.705 0.323 -6.262 1063 HA MET 446 HA MET 446 -1.729 1.597 -3.950 1064 HB2 MET 446 2HB MET 446 -3.300 -0.391 -3.946 1065 HB3 MET 446 1HB MET 446 -1.942 -1.421 -4.389 1066 HG2 MET 446 2HG MET 446 -0.797 -0.812 -2.298 1067 HG3 MET 446 1HG MET 446 -2.155 0.221 -1.851 1068 HE1 MET 446 1HE MET 446 -2.408 -0.930 0.478 1069 HE2 MET 446 2HE MET 446 -1.021 -1.968 0.136 1070 HE3 MET 446 3HE MET 446 -2.530 -2.670 0.716 1071 H MET 447 H MET 447 -0.198 -0.671 -6.222 1072 HA MET 447 HA MET 447 2.172 -1.257 -4.855 1073 HB2 MET 447 2HB MET 447 1.409 -2.525 -6.834 1074 HB3 MET 447 1HB MET 447 1.678 -1.129 -7.862 1075 HG2 MET 447 2HG MET 447 3.631 -2.195 -8.348 1076 HG3 MET 447 1HG MET 447 4.199 -1.467 -6.850 1077 HE1 MET 447 1HE MET 447 4.263 -2.873 -4.477 1078 HE2 MET 447 2HE MET 447 3.796 -4.572 -4.373 1079 HE3 MET 447 3HE MET 447 2.571 -3.341 -4.670 1080 H SER 448 H SER 448 1.621 1.174 -7.395 1081 HA SER 448 HA SER 448 4.245 2.229 -7.442 1082 HB2 SER 448 2HB SER 448 3.108 4.127 -8.722 1083 HB3 SER 448 1HB SER 448 2.840 2.508 -9.370 1084 HG SER 448 HG SER 448 0.778 2.724 -8.997 1085 H LYS 449 H LYS 449 1.276 3.233 -5.769 1086 HA LYS 449 HA LYS 449 2.320 5.582 -4.579 1087 HB2 LYS 449 2HB LYS 449 -0.047 3.838 -3.809 1088 HB3 LYS 449 1HB LYS 449 0.368 5.317 -2.945 1089 HG2 LYS 449 2HG LYS 449 0.099 6.607 -5.056 1090 HG3 LYS 449 1HG LYS 449 -0.378 5.119 -5.881 1091 HD2 LYS 449 2HD LYS 449 -2.376 6.398 -5.284 1092 HD3 LYS 449 1HD LYS 449 -2.326 4.909 -4.338 1093 HE2 LYS 449 2HE LYS 449 -1.397 6.204 -2.416 1094 HE3 LYS 449 1HE LYS 449 -1.544 7.681 -3.371 1095 HZ1 LYS 449 1HZ LYS 449 -3.791 5.918 -2.545 1096 HZ2 LYS 449 2HZ LYS 449 -3.931 7.317 -3.483 1097 HZ3 LYS 449 3HZ LYS 449 -3.406 7.425 -1.879 1098 H LEU 450 H LEU 450 2.172 2.187 -3.428 1099 HA LEU 450 HA LEU 450 3.045 2.885 -0.785 1100 HB2 LEU 450 2HB LEU 450 2.968 0.578 -0.192 1101 HB3 LEU 450 1HB LEU 450 1.571 0.939 -1.165 1102 HG LEU 450 HG LEU 450 2.853 -0.209 -3.116 1103 HD11 LEU 450 1HD1 LEU 450 4.491 -1.347 -0.830 1104 HD12 LEU 450 2HD1 LEU 450 5.093 -0.342 -2.149 1105 HD13 LEU 450 3HD1 LEU 450 4.471 -1.952 -2.489 1106 HD21 LEU 450 1HD2 LEU 450 0.886 -1.181 -2.041 1107 HD22 LEU 450 2HD2 LEU 450 1.896 -1.876 -0.770 1108 HD23 LEU 450 3HD2 LEU 450 2.061 -2.433 -2.437 1109 H ASN 451 H ASN 451 4.611 2.019 -3.733 1110 HA ASN 451 HA ASN 451 7.215 1.468 -2.745 1111 HB2 ASN 451 2HB ASN 451 6.444 0.876 -5.051 1112 HB3 ASN 451 1HB ASN 451 6.357 2.586 -5.461 1113 HD21 ASN 451 1HD2 ASN 451 7.839 2.294 -7.163 1114 HD22 ASN 451 2HD2 ASN 451 9.528 2.068 -6.882 1115 H ASN 452 H ASN 452 5.686 4.414 -4.048 1116 HA ASN 452 HA ASN 452 7.831 6.219 -3.682 1117 HB2 ASN 452 2HB ASN 452 5.916 6.698 -5.190 1118 HB3 ASN 452 1HB ASN 452 4.830 6.776 -3.805 1119 HD21 ASN 452 1HD2 ASN 452 4.206 8.910 -4.126 1120 HD22 ASN 452 2HD2 ASN 452 5.275 10.254 -3.951 1121 H THR 453 H THR 453 5.056 5.375 -1.612 1122 HA THR 453 HA THR 453 5.421 7.339 0.355 1123 HB THR 453 HB THR 453 4.064 5.800 1.872 1124 HG1 THR 453 HG1 THR 453 3.699 3.831 1.268 1125 HG21 THR 453 1HG2 THR 453 2.898 7.469 0.455 1126 HG22 THR 453 2HG2 THR 453 1.947 5.991 0.610 1127 HG23 THR 453 3HG2 THR 453 2.848 6.309 -0.873 1128 H SER 454 H SER 454 6.207 3.827 0.571 1129 HA SER 454 HA SER 454 7.644 3.845 2.925 1130 HB2 SER 454 2HB SER 454 8.673 1.728 2.126 1131 HB3 SER 454 1HB SER 454 6.941 1.784 1.789 1132 HG SER 454 HG SER 454 7.484 2.473 -0.345 1133 H SER 455 H SER 455 8.765 4.693 -0.316 1134 HA SER 455 HA SER 455 11.528 4.773 0.129 1135 HB2 SER 455 2HB SER 455 10.517 4.928 -2.110 1136 HB3 SER 455 1HB SER 455 9.853 6.516 -1.722 1137 HG SER 455 HG SER 455 11.717 7.356 -2.196 1138 H TYR 456 H TYR 456 9.233 7.619 0.230 1139 HA TYR 456 HA TYR 456 11.257 9.235 1.514 1140 HB2 TYR 456 2HB TYR 456 9.524 11.020 1.726 1141 HB3 TYR 456 1HB TYR 456 9.775 10.443 0.093 1142 HD1 TYR 456 HD1 TYR 456 7.470 9.623 2.989 1143 HD2 TYR 456 HD2 TYR 456 7.835 10.338 -1.210 1144 HE1 TYR 456 HE1 TYR 456 5.039 9.433 2.741 1145 HE2 TYR 456 HE2 TYR 456 5.394 10.139 -1.450 1146 HH TYR 456 HH TYR 456 3.511 9.091 -0.262 1147 H LEU 457 H LEU 457 8.884 7.077 2.747 1148 HA LEU 457 HA LEU 457 8.665 8.088 5.402 1149 HB2 LEU 457 2HB LEU 457 8.244 5.285 4.288 1150 HB3 LEU 457 1HB LEU 457 7.967 5.687 5.973 1151 HG LEU 457 HG LEU 457 6.429 6.807 3.598 1152 HD11 LEU 457 1HD1 LEU 457 5.555 4.866 5.767 1153 HD12 LEU 457 2HD1 LEU 457 5.854 4.475 4.073 1154 HD13 LEU 457 3HD1 LEU 457 4.519 5.540 4.504 1155 HD21 LEU 457 1HD2 LEU 457 4.988 7.895 5.266 1156 HD22 LEU 457 2HD2 LEU 457 6.637 8.506 5.318 1157 HD23 LEU 457 3HD2 LEU 457 6.080 7.372 6.551 1158 H THR 458 H THR 458 10.872 5.748 3.829 1159 HA THR 458 HA THR 458 12.240 5.124 6.292 1160 HB THR 458 HB THR 458 12.083 3.425 4.491 1161 HG1 THR 458 HG1 THR 458 13.782 2.653 5.444 1162 HG21 THR 458 1HG2 THR 458 12.461 4.810 2.485 1163 HG22 THR 458 2HG2 THR 458 13.612 3.474 2.566 1164 HG23 THR 458 3HG2 THR 458 14.122 5.106 2.999 1165 H GLN 459 H GLN 459 12.777 7.403 3.632 1166 HA GLN 459 HA GLN 459 15.298 8.425 4.407 1167 HB2 GLN 459 2HB GLN 459 12.890 9.954 3.331 1168 HB3 GLN 459 1HB GLN 459 14.526 10.595 3.406 1169 HG2 GLN 459 2HG GLN 459 15.260 8.869 1.807 1170 HG3 GLN 459 1HG GLN 459 13.615 8.250 1.727 1171 HE21 GLN 459 1HE2 GLN 459 12.388 10.956 1.770 1172 HE22 GLN 459 2HE2 GLN 459 12.665 11.602 0.194 1173 H GLN 460 H GLN 460 12.035 9.448 5.354 1174 HA GLN 460 HA GLN 460 12.706 11.344 7.310 1175 HB2 GLN 460 2HB GLN 460 10.487 11.235 6.213 1176 HB3 GLN 460 1HB GLN 460 10.162 9.693 6.993 1177 HG2 GLN 460 2HG GLN 460 8.950 11.490 8.115 1178 HG3 GLN 460 1HG GLN 460 10.155 10.802 9.202 1179 HE21 GLN 460 1HE2 GLN 460 11.923 12.089 9.837 1180 HE22 GLN 460 2HE2 GLN 460 11.979 13.795 9.557 1181 H PHE 461 H PHE 461 12.254 7.837 7.497 1182 HA PHE 461 HA PHE 461 12.084 7.601 10.325 1183 HB2 PHE 461 2HB PHE 461 11.303 5.757 8.961 1184 HB3 PHE 461 1HB PHE 461 12.872 5.575 8.187 1185 HD1 PHE 461 HD1 PHE 461 11.601 5.681 11.751 1186 HD2 PHE 461 HD2 PHE 461 13.989 3.618 8.859 1187 HE1 PHE 461 HE1 PHE 461 12.230 4.019 13.443 1188 HE2 PHE 461 HE2 PHE 461 14.613 1.959 10.566 1189 HZ PHE 461 HZ PHE 461 13.737 2.161 12.860 1190 H THR 462 H THR 462 14.815 7.135 8.052 1191 HA THR 462 HA THR 462 16.748 6.464 9.994 1192 HB THR 462 HB THR 462 17.259 7.760 7.275 1193 HG1 THR 462 HG1 THR 462 16.413 5.964 6.553 1194 HG21 THR 462 1HG2 THR 462 19.408 6.538 7.346 1195 HG22 THR 462 2HG2 THR 462 19.022 5.927 8.956 1196 HG23 THR 462 3HG2 THR 462 19.286 7.656 8.708 1197 H ALA 463 H ALA 463 15.691 9.576 8.680 1198 HA ALA 463 HA ALA 463 17.585 11.240 10.024 1199 HB1 ALA 463 1HB ALA 463 16.052 13.071 9.421 1200 HB2 ALA 463 2HB ALA 463 14.804 11.897 8.989 1201 HB3 ALA 463 3HB ALA 463 16.304 11.980 8.059 1202 H MET 464 H MET 464 14.287 10.185 10.826 1203 HA MET 464 HA MET 464 13.940 11.837 13.147 1204 HB2 MET 464 2HB MET 464 12.062 11.069 11.727 1205 HB3 MET 464 1HB MET 464 12.377 9.404 12.181 1206 HG2 MET 464 2HG MET 464 11.696 9.856 14.465 1207 HG3 MET 464 1HG MET 464 11.516 11.574 14.108 1208 HE1 MET 464 1HE MET 464 9.510 12.604 12.694 1209 HE2 MET 464 2HE MET 464 8.373 11.628 11.769 1210 HE3 MET 464 3HE MET 464 10.072 11.686 11.296 1211 H ASN 465 H ASN 465 15.172 8.660 12.564 1212 HA ASN 465 HA ASN 465 15.212 7.832 15.360 1213 HB2 ASN 465 2HB ASN 465 14.794 6.220 13.443 1214 HB3 ASN 465 1HB ASN 465 16.451 6.463 12.919 1215 HD21 ASN 465 1HD2 ASN 465 15.025 4.028 13.851 1216 HD22 ASN 465 2HD2 ASN 465 15.990 3.398 15.138 1217 H LYS 466 H LYS 466 17.748 8.303 12.805 1218 HA LYS 466 HA LYS 466 19.502 9.484 14.874 1219 HB2 LYS 466 2HB LYS 466 21.490 8.487 13.753 1220 HB3 LYS 466 1HB LYS 466 20.430 7.299 14.480 1221 HG2 LYS 466 2HG LYS 466 20.360 7.904 11.512 1222 HG3 LYS 466 1HG LYS 466 21.484 6.736 12.197 1223 HD2 LYS 466 2HD LYS 466 18.449 6.569 12.395 1224 HD3 LYS 466 1HD LYS 466 19.450 5.675 11.252 1225 HE2 LYS 466 2HE LYS 466 19.590 5.416 14.274 1226 HE3 LYS 466 1HE LYS 466 18.799 4.283 13.181 1227 HZ1 LYS 466 1HZ LYS 466 20.954 3.847 12.150 1228 HZ2 LYS 466 2HZ LYS 466 20.970 3.495 13.803 1229 HZ3 LYS 466 3HZ LYS 466 21.701 4.907 13.235 1230 H SER 467 H SER 467 18.355 11.496 13.957 1231 HA SER 467 HA SER 467 19.097 12.901 11.776 1232 HB2 SER 467 2HB SER 467 19.337 13.925 14.636 1233 HB3 SER 467 1HB SER 467 19.124 14.924 13.197 1234 HG SER 467 HG SER 467 17.122 13.577 12.922 Start of MODEL 9 1 H1 MET 1 1H MET 1 -1.943 22.341 20.617 2 H2 MET 1 2H MET 1 -0.602 22.416 21.640 3 H3 MET 1 3H MET 1 -1.362 20.933 21.348 4 HA MET 1 HA MET 1 0.058 22.599 19.362 5 HB2 MET 1 2HB MET 1 1.739 20.696 19.369 6 HB3 MET 1 1HB MET 1 1.694 21.651 20.838 7 HG2 MET 1 2HG MET 1 0.400 19.868 21.959 8 HG3 MET 1 1HG MET 1 0.451 18.912 20.475 9 HE1 MET 1 1HE MET 1 1.563 16.774 21.634 10 HE2 MET 1 2HE MET 1 1.397 17.609 23.179 11 HE3 MET 1 3HE MET 1 2.942 16.889 22.728 12 H THR 2 H THR 2 -1.562 22.524 17.826 13 HA THR 2 HA THR 2 -3.302 20.355 17.316 14 HB THR 2 HB THR 2 -3.956 21.669 15.268 15 HG1 THR 2 HG1 THR 2 -2.848 23.757 15.078 16 HG21 THR 2 1HG2 THR 2 -4.696 23.738 16.435 17 HG22 THR 2 2HG2 THR 2 -3.626 23.356 17.786 18 HG23 THR 2 3HG2 THR 2 -4.991 22.301 17.414 19 H SER 3 H SER 3 -0.478 21.527 15.457 20 HA SER 3 HA SER 3 -0.584 19.622 13.362 21 HB2 SER 3 2HB SER 3 1.805 21.222 14.389 22 HB3 SER 3 1HB SER 3 1.652 20.484 12.787 23 HG SER 3 HG SER 3 1.104 22.803 13.024 24 H THR 4 H THR 4 1.061 19.678 16.472 25 HA THR 4 HA THR 4 2.719 17.399 16.013 26 HB THR 4 HB THR 4 2.000 18.793 18.625 27 HG1 THR 4 HG1 THR 4 4.472 19.336 17.759 28 HG21 THR 4 1HG2 THR 4 4.104 17.830 19.494 29 HG22 THR 4 2HG2 THR 4 4.340 16.961 17.982 30 HG23 THR 4 3HG2 THR 4 2.980 16.550 19.023 31 H VAL 5 H VAL 5 -0.496 17.880 17.537 32 HA VAL 5 HA VAL 5 -0.579 15.243 18.700 33 HB VAL 5 HB VAL 5 -1.899 17.054 19.736 34 HG11 VAL 5 1HG1 VAL 5 -2.606 18.302 17.750 35 HG12 VAL 5 2HG1 VAL 5 -3.987 17.903 18.774 36 HG13 VAL 5 3HG1 VAL 5 -3.687 16.984 17.297 37 HG21 VAL 5 1HG2 VAL 5 -3.995 15.816 20.152 38 HG22 VAL 5 2HG2 VAL 5 -2.603 14.732 20.138 39 HG23 VAL 5 3HG2 VAL 5 -3.677 14.801 18.741 40 H GLU 6 H GLU 6 -1.952 16.689 15.687 41 HA GLU 6 HA GLU 6 -3.302 14.341 14.794 42 HB2 GLU 6 2HB GLU 6 -3.330 15.375 12.550 43 HB3 GLU 6 1HB GLU 6 -3.785 16.535 13.792 44 HG2 GLU 6 2HG GLU 6 -1.508 17.488 13.725 45 HG3 GLU 6 1HG GLU 6 -1.081 16.354 12.446 46 H PHE 7 H PHE 7 0.027 15.512 14.414 47 HA PHE 7 HA PHE 7 1.126 13.563 12.746 48 HB2 PHE 7 2HB PHE 7 2.309 15.576 13.412 49 HB3 PHE 7 1HB PHE 7 2.259 15.113 15.102 50 HD1 PHE 7 HD1 PHE 7 3.904 14.489 11.847 51 HD2 PHE 7 HD2 PHE 7 3.899 13.578 16.026 52 HE1 PHE 7 HE1 PHE 7 6.159 13.533 11.663 53 HE2 PHE 7 HE2 PHE 7 6.143 12.632 15.813 54 HZ PHE 7 HZ PHE 7 7.274 12.615 13.639 55 H ILE 8 H ILE 8 0.938 13.509 16.349 56 HA ILE 8 HA ILE 8 2.147 11.046 16.883 57 HB ILE 8 HB ILE 8 -0.103 12.409 18.448 58 HG12 ILE 8 2HG1 ILE 8 2.894 12.556 18.979 59 HG13 ILE 8 1HG1 ILE 8 1.995 13.788 18.116 60 HG21 ILE 8 1HG2 ILE 8 0.664 11.132 20.424 61 HG22 ILE 8 2HG2 ILE 8 1.821 10.267 19.412 62 HG23 ILE 8 3HG2 ILE 8 0.092 10.065 19.141 63 HD11 ILE 8 1HD1 ILE 8 0.636 14.187 20.136 64 HD12 ILE 8 2HD1 ILE 8 2.357 14.477 20.382 65 HD13 ILE 8 3HD1 ILE 8 1.620 13.000 21.003 66 H ASN 9 H ASN 9 -1.354 11.737 16.755 67 HA ASN 9 HA ASN 9 -2.274 9.128 17.182 68 HB2 ASN 9 2HB ASN 9 -3.623 11.609 16.072 69 HB3 ASN 9 1HB ASN 9 -4.491 10.079 16.160 70 HD21 ASN 9 1HD2 ASN 9 -3.101 12.694 18.015 71 HD22 ASN 9 2HD2 ASN 9 -3.837 12.264 19.514 72 H ARG 10 H ARG 10 -1.868 10.930 14.097 73 HA ARG 10 HA ARG 10 -3.110 8.896 12.530 74 HB2 ARG 10 2HB ARG 10 -1.388 11.245 11.673 75 HB3 ARG 10 1HB ARG 10 -2.148 10.133 10.535 76 HG2 ARG 10 2HG ARG 10 -4.372 10.734 11.508 77 HG3 ARG 10 1HG ARG 10 -3.566 11.941 12.513 78 HD2 ARG 10 2HD ARG 10 -3.605 11.882 9.481 79 HD3 ARG 10 1HD ARG 10 -4.565 12.951 10.508 80 HE ARG 10 HE ARG 10 -1.881 13.333 11.178 81 HH11 ARG 10 1HH1 ARG 10 -3.980 13.889 8.412 82 HH12 ARG 10 2HH1 ARG 10 -3.053 15.225 7.820 83 HH21 ARG 10 1HH2 ARG 10 -0.633 15.070 10.341 84 HH22 ARG 10 2HH2 ARG 10 -1.163 15.894 8.912 85 H TRP 11 H TRP 11 0.338 9.529 13.302 86 HA TRP 11 HA TRP 11 1.408 7.535 11.591 87 HB2 TRP 11 2HB TRP 11 2.455 8.848 14.108 88 HB3 TRP 11 1HB TRP 11 3.313 7.462 13.439 89 HD1 TRP 11 HD1 TRP 11 3.347 11.103 13.215 90 HE1 TRP 11 HE1 TRP 11 4.619 11.883 11.136 91 HE3 TRP 11 HE3 TRP 11 3.514 6.691 10.618 92 HZ2 TRP 11 HZ2 TRP 11 5.582 10.822 8.738 93 HZ3 TRP 11 HZ3 TRP 11 4.635 6.669 8.421 94 HH2 TRP 11 HH2 TRP 11 5.643 8.705 7.514 95 H GLN 12 H GLN 12 0.213 7.375 14.956 96 HA GLN 12 HA GLN 12 0.681 4.645 15.412 97 HB2 GLN 12 2HB GLN 12 -0.081 6.284 17.154 98 HB3 GLN 12 1HB GLN 12 -1.693 6.256 16.440 99 HG2 GLN 12 2HG GLN 12 -1.873 3.840 16.939 100 HG3 GLN 12 1HG GLN 12 -0.255 3.860 17.640 101 HE21 GLN 12 1HE2 GLN 12 -0.902 3.213 19.657 102 HE22 GLN 12 2HE2 GLN 12 -1.870 4.186 20.705 103 H ARG 13 H ARG 13 -2.054 6.287 13.802 104 HA ARG 13 HA ARG 13 -3.727 4.043 13.420 105 HB2 ARG 13 2HB ARG 13 -3.513 6.479 11.600 106 HB3 ARG 13 1HB ARG 13 -4.854 5.344 11.652 107 HG2 ARG 13 2HG ARG 13 -4.046 7.300 13.811 108 HG3 ARG 13 1HG ARG 13 -5.450 7.414 12.759 109 HD2 ARG 13 2HD ARG 13 -6.275 5.251 13.825 110 HD3 ARG 13 1HD ARG 13 -4.962 5.421 14.996 111 HE ARG 13 HE ARG 13 -7.010 7.519 14.604 112 HH11 ARG 13 1HH1 ARG 13 -5.233 5.441 16.834 113 HH12 ARG 13 2HH1 ARG 13 -5.920 6.177 18.239 114 HH21 ARG 13 1HH2 ARG 13 -7.924 8.436 16.446 115 HH22 ARG 13 2HH2 ARG 13 -7.450 7.880 18.019 116 H ILE 14 H ILE 14 -1.265 5.536 11.310 117 HA ILE 14 HA ILE 14 -1.489 3.969 9.013 118 HB ILE 14 HB ILE 14 0.970 5.351 10.201 119 HG12 ILE 14 2HG1 ILE 14 -0.842 6.259 7.923 120 HG13 ILE 14 1HG1 ILE 14 -0.965 6.834 9.576 121 HG21 ILE 14 1HG2 ILE 14 0.683 4.251 7.385 122 HG22 ILE 14 2HG2 ILE 14 1.749 3.622 8.641 123 HG23 ILE 14 3HG2 ILE 14 2.032 5.229 7.975 124 HD11 ILE 14 1HD1 ILE 14 1.386 7.251 7.727 125 HD12 ILE 14 2HD1 ILE 14 1.282 7.810 9.400 126 HD13 ILE 14 3HD1 ILE 14 0.173 8.446 8.186 127 H ALA 15 H ALA 15 0.409 3.447 11.956 128 HA ALA 15 HA ALA 15 1.834 1.131 11.130 129 HB1 ALA 15 1HB ALA 15 1.213 2.146 13.919 130 HB2 ALA 15 2HB ALA 15 2.587 2.631 12.925 131 HB3 ALA 15 3HB ALA 15 2.460 0.969 13.497 132 H LEU 16 H LEU 16 -1.171 1.584 13.010 133 HA LEU 16 HA LEU 16 -1.643 -1.160 13.625 134 HB2 LEU 16 2HB LEU 16 -3.570 1.196 13.485 135 HB3 LEU 16 1HB LEU 16 -3.999 -0.383 14.127 136 HG LEU 16 HG LEU 16 -1.903 1.486 15.304 137 HD11 LEU 16 1HD1 LEU 16 -4.167 2.340 15.636 138 HD12 LEU 16 2HD1 LEU 16 -3.462 1.804 17.158 139 HD13 LEU 16 3HD1 LEU 16 -4.665 0.800 16.342 140 HD21 LEU 16 1HD2 LEU 16 -1.823 -0.087 17.200 141 HD22 LEU 16 2HD2 LEU 16 -1.285 -0.837 15.702 142 HD23 LEU 16 3HD2 LEU 16 -2.896 -1.192 16.332 143 H LEU 17 H LEU 17 -2.630 0.964 10.981 144 HA LEU 17 HA LEU 17 -4.474 -0.771 9.702 145 HB2 LEU 17 2HB LEU 17 -2.899 1.618 8.659 146 HB3 LEU 17 1HB LEU 17 -4.087 0.768 7.684 147 HG LEU 17 HG LEU 17 -4.717 2.191 10.302 148 HD11 LEU 17 1HD1 LEU 17 -5.253 3.143 7.479 149 HD12 LEU 17 2HD1 LEU 17 -4.060 3.810 8.598 150 HD13 LEU 17 3HD1 LEU 17 -5.778 3.932 8.972 151 HD21 LEU 17 1HD2 LEU 17 -6.260 0.349 9.869 152 HD22 LEU 17 2HD2 LEU 17 -6.588 0.964 8.246 153 HD23 LEU 17 3HD2 LEU 17 -7.075 1.896 9.665 154 H SER 18 H SER 18 -1.022 -0.018 9.107 155 HA SER 18 HA SER 18 -0.608 -1.569 6.822 156 HB2 SER 18 2HB SER 18 1.837 -1.496 7.475 157 HB3 SER 18 1HB SER 18 1.048 0.074 7.497 158 HG SER 18 HG SER 18 1.967 -1.483 9.619 159 H GLN 19 H GLN 19 -0.187 -2.428 10.265 160 HA GLN 19 HA GLN 19 0.733 -5.072 9.898 161 HB2 GLN 19 2HB GLN 19 0.884 -3.888 12.061 162 HB3 GLN 19 1HB GLN 19 -0.869 -3.913 12.223 163 HG2 GLN 19 2HG GLN 19 -0.817 -6.383 12.346 164 HG3 GLN 19 1HG GLN 19 0.932 -6.358 12.162 165 HE21 GLN 19 1HE2 GLN 19 -0.968 -4.128 14.174 166 HE22 GLN 19 2HE2 GLN 19 -0.328 -4.699 15.673 167 H SER 20 H SER 20 -2.587 -3.851 10.462 168 HA SER 20 HA SER 20 -3.918 -6.314 10.588 169 HB2 SER 20 2HB SER 20 -5.026 -3.613 9.702 170 HB3 SER 20 1HB SER 20 -5.992 -5.002 10.219 171 HG SER 20 HG SER 20 -4.861 -3.119 11.726 172 H LEU 21 H LEU 21 -3.530 -4.105 7.790 173 HA LEU 21 HA LEU 21 -4.914 -5.852 5.994 174 HB2 LEU 21 2HB LEU 21 -4.411 -4.218 4.237 175 HB3 LEU 21 1HB LEU 21 -5.122 -3.488 5.654 176 HG LEU 21 HG LEU 21 -2.648 -2.826 6.276 177 HD11 LEU 21 1HD1 LEU 21 -1.475 -4.117 4.605 178 HD12 LEU 21 2HD1 LEU 21 -1.176 -2.398 4.380 179 HD13 LEU 21 3HD1 LEU 21 -2.298 -3.245 3.310 180 HD21 LEU 21 1HD2 LEU 21 -4.089 -1.416 4.016 181 HD22 LEU 21 2HD2 LEU 21 -2.817 -0.724 5.028 182 HD23 LEU 21 3HD2 LEU 21 -4.359 -1.179 5.745 183 H LEU 22 H LEU 22 -1.587 -5.559 6.983 184 HA LEU 22 HA LEU 22 -0.351 -6.982 4.864 185 HB2 LEU 22 2HB LEU 22 0.994 -5.885 6.606 186 HB3 LEU 22 1HB LEU 22 0.306 -6.930 7.838 187 HG LEU 22 HG LEU 22 1.427 -8.906 6.753 188 HD11 LEU 22 1HD1 LEU 22 3.157 -8.567 5.060 189 HD12 LEU 22 2HD1 LEU 22 2.749 -6.853 4.962 190 HD13 LEU 22 3HD1 LEU 22 1.574 -8.075 4.466 191 HD21 LEU 22 1HD2 LEU 22 3.698 -8.406 7.513 192 HD22 LEU 22 2HD2 LEU 22 2.499 -7.797 8.650 193 HD23 LEU 22 3HD2 LEU 22 3.323 -6.680 7.557 194 H GLU 23 H GLU 23 -1.878 -8.033 7.898 195 HA GLU 23 HA GLU 23 -1.599 -10.833 7.545 196 HB2 GLU 23 2HB GLU 23 -3.659 -9.292 9.180 197 HB3 GLU 23 1HB GLU 23 -3.292 -11.008 9.356 198 HG2 GLU 23 2HG GLU 23 -0.996 -10.457 10.072 199 HG3 GLU 23 1HG GLU 23 -1.342 -8.740 9.871 200 H LEU 24 H LEU 24 -4.064 -8.505 6.546 201 HA LEU 24 HA LEU 24 -6.034 -10.365 5.638 202 HB2 LEU 24 2HB LEU 24 -5.597 -7.435 4.920 203 HB3 LEU 24 1HB LEU 24 -7.010 -8.364 4.438 204 HG LEU 24 HG LEU 24 -6.225 -7.776 7.321 205 HD11 LEU 24 1HD1 LEU 24 -6.909 -5.731 6.224 206 HD12 LEU 24 2HD1 LEU 24 -8.145 -6.249 7.366 207 HD13 LEU 24 3HD1 LEU 24 -8.386 -6.498 5.633 208 HD21 LEU 24 1HD2 LEU 24 -8.439 -8.658 7.909 209 HD22 LEU 24 2HD2 LEU 24 -7.443 -9.885 7.137 210 HD23 LEU 24 3HD2 LEU 24 -8.730 -9.093 6.221 211 H ALA 25 H ALA 25 -3.445 -8.559 3.971 212 HA ALA 25 HA ALA 25 -3.945 -9.378 1.315 213 HB1 ALA 25 1HB ALA 25 -1.616 -8.676 0.860 214 HB2 ALA 25 2HB ALA 25 -1.284 -8.630 2.593 215 HB3 ALA 25 3HB ALA 25 -2.435 -7.499 1.888 216 H GLN 26 H GLN 26 -1.956 -10.718 3.894 217 HA GLN 26 HA GLN 26 -0.853 -12.912 2.474 218 HB2 GLN 26 2HB GLN 26 0.113 -11.903 4.547 219 HB3 GLN 26 1HB GLN 26 -1.235 -12.546 5.476 220 HG2 GLN 26 2HG GLN 26 -0.516 -14.834 4.968 221 HG3 GLN 26 1HG GLN 26 0.782 -14.216 3.950 222 HE21 GLN 26 1HE2 GLN 26 -0.120 -12.815 7.084 223 HE22 GLN 26 2HE2 GLN 26 1.340 -13.269 7.883 224 H ARG 27 H ARG 27 -3.798 -12.461 4.344 225 HA ARG 27 HA ARG 27 -4.586 -15.247 4.356 226 HB2 ARG 27 2HB ARG 27 -5.428 -12.812 5.703 227 HB3 ARG 27 1HB ARG 27 -6.840 -13.502 4.933 228 HG2 ARG 27 2HG ARG 27 -5.031 -14.947 6.889 229 HG3 ARG 27 1HG ARG 27 -6.600 -14.229 7.267 230 HD2 ARG 27 2HD ARG 27 -6.113 -16.525 5.331 231 HD3 ARG 27 1HD ARG 27 -6.804 -16.649 6.948 232 HE ARG 27 HE ARG 27 -8.109 -15.166 4.736 233 HH11 ARG 27 1HH1 ARG 27 -8.347 -17.435 7.419 234 HH12 ARG 27 2HH1 ARG 27 -10.066 -17.602 7.271 235 HH21 ARG 27 1HH2 ARG 27 -10.358 -15.390 4.580 236 HH22 ARG 27 2HH2 ARG 27 -11.205 -16.448 5.665 237 H GLY 28 H GLY 28 -4.609 -12.857 1.984 238 HA2 GLY 28 2HA GLY 28 -5.382 -12.957 -0.192 239 HA3 GLY 28 1HA GLY 28 -6.289 -14.409 0.201 240 H GLU 29 H GLU 29 -6.903 -11.969 2.425 241 HA GLU 29 HA GLU 29 -9.570 -11.447 1.465 242 HB2 GLU 29 2HB GLU 29 -8.142 -9.971 3.724 243 HB3 GLU 29 1HB GLU 29 -9.872 -10.183 3.501 244 HG2 GLU 29 2HG GLU 29 -7.880 -12.316 4.286 245 HG3 GLU 29 1HG GLU 29 -9.040 -11.526 5.353 246 H TRP 30 H TRP 30 -9.004 -10.520 -0.601 247 HA TRP 30 HA TRP 30 -7.326 -8.220 -0.861 248 HB2 TRP 30 2HB TRP 30 -9.358 -9.291 -2.867 249 HB3 TRP 30 1HB TRP 30 -8.021 -8.194 -3.214 250 HD1 TRP 30 HD1 TRP 30 -8.762 -11.558 -3.952 251 HE1 TRP 30 HE1 TRP 30 -6.690 -13.071 -4.031 252 HE3 TRP 30 HE3 TRP 30 -5.434 -8.563 -1.443 253 HZ2 TRP 30 HZ2 TRP 30 -4.022 -13.021 -3.146 254 HZ3 TRP 30 HZ3 TRP 30 -3.145 -9.382 -1.097 255 HH2 TRP 30 HH2 TRP 30 -2.459 -11.565 -1.933 256 H ASP 31 H ASP 31 -10.828 -8.728 -0.717 257 HA ASP 31 HA ASP 31 -11.634 -6.067 -1.270 258 HB2 ASP 31 2HB ASP 31 -13.067 -8.192 0.401 259 HB3 ASP 31 1HB ASP 31 -13.812 -6.728 -0.240 260 H LEU 32 H LEU 32 -10.849 -7.756 1.741 261 HA LEU 32 HA LEU 32 -11.409 -5.560 3.503 262 HB2 LEU 32 2HB LEU 32 -9.783 -8.082 4.004 263 HB3 LEU 32 1HB LEU 32 -10.351 -6.974 5.243 264 HG LEU 32 HG LEU 32 -12.092 -8.746 3.482 265 HD11 LEU 32 1HD1 LEU 32 -11.547 -8.881 6.462 266 HD12 LEU 32 2HD1 LEU 32 -10.951 -9.999 5.232 267 HD13 LEU 32 3HD1 LEU 32 -12.677 -9.901 5.562 268 HD21 LEU 32 1HD2 LEU 32 -12.961 -6.783 5.626 269 HD22 LEU 32 2HD2 LEU 32 -14.006 -7.937 4.793 270 HD23 LEU 32 3HD2 LEU 32 -13.245 -6.634 3.889 271 H LEU 33 H LEU 33 -8.523 -6.792 1.866 272 HA LEU 33 HA LEU 33 -6.513 -5.220 3.054 273 HB2 LEU 33 2HB LEU 33 -5.917 -7.060 1.571 274 HB3 LEU 33 1HB LEU 33 -6.800 -6.339 0.237 275 HG LEU 33 HG LEU 33 -5.106 -4.453 0.200 276 HD11 LEU 33 1HD1 LEU 33 -4.282 -4.538 2.457 277 HD12 LEU 33 2HD1 LEU 33 -2.944 -4.788 1.341 278 HD13 LEU 33 3HD1 LEU 33 -3.634 -6.160 2.211 279 HD21 LEU 33 1HD2 LEU 33 -4.926 -6.288 -1.394 280 HD22 LEU 33 2HD2 LEU 33 -3.970 -7.227 -0.243 281 HD23 LEU 33 3HD2 LEU 33 -3.329 -5.721 -0.909 282 H LEU 34 H LEU 34 -8.537 -4.651 0.190 283 HA LEU 34 HA LEU 34 -7.481 -2.078 -0.455 284 HB2 LEU 34 2HB LEU 34 -9.979 -3.526 -1.390 285 HB3 LEU 34 1HB LEU 34 -9.370 -2.044 -2.113 286 HG LEU 34 HG LEU 34 -7.815 -4.665 -2.045 287 HD11 LEU 34 1HD1 LEU 34 -9.418 -3.495 -4.328 288 HD12 LEU 34 2HD1 LEU 34 -9.812 -4.943 -3.397 289 HD13 LEU 34 3HD1 LEU 34 -8.373 -4.918 -4.411 290 HD21 LEU 34 1HD2 LEU 34 -7.271 -2.107 -3.591 291 HD22 LEU 34 2HD2 LEU 34 -6.356 -3.613 -3.715 292 HD23 LEU 34 3HD2 LEU 34 -6.354 -2.708 -2.205 293 H GLN 35 H GLN 35 -10.123 -3.227 1.497 294 HA GLN 35 HA GLN 35 -11.607 -0.881 1.947 295 HB2 GLN 35 2HB GLN 35 -12.405 -3.095 2.649 296 HB3 GLN 35 1HB GLN 35 -11.028 -3.298 3.719 297 HG2 GLN 35 2HG GLN 35 -13.009 -2.836 5.024 298 HG3 GLN 35 1HG GLN 35 -11.888 -1.486 5.164 299 HE21 GLN 35 1HE2 GLN 35 -14.023 -2.030 2.380 300 HE22 GLN 35 2HE2 GLN 35 -15.022 -0.654 2.675 301 H GLN 36 H GLN 36 -8.671 -2.170 3.463 302 HA GLN 36 HA GLN 36 -8.400 0.074 5.306 303 HB2 GLN 36 2HB GLN 36 -6.523 -2.281 4.882 304 HB3 GLN 36 1HB GLN 36 -6.501 -1.155 6.236 305 HG2 GLN 36 2HG GLN 36 -8.661 -3.185 5.606 306 HG3 GLN 36 1HG GLN 36 -7.485 -3.274 6.914 307 HE21 GLN 36 1HE2 GLN 36 -10.443 -3.261 6.955 308 HE22 GLN 36 2HE2 GLN 36 -10.893 -1.963 8.002 309 H GLU 37 H GLU 37 -7.180 -0.915 2.211 310 HA GLU 37 HA GLU 37 -4.711 0.251 1.854 311 HB2 GLU 37 2HB GLU 37 -5.683 -1.046 0.071 312 HB3 GLU 37 1HB GLU 37 -7.090 0.006 -0.027 313 HG2 GLU 37 2HG GLU 37 -5.496 1.841 -0.848 314 HG3 GLU 37 1HG GLU 37 -4.270 0.582 -0.999 315 H VAL 38 H VAL 38 -7.849 1.733 1.138 316 HA VAL 38 HA VAL 38 -6.942 4.227 0.292 317 HB VAL 38 HB VAL 38 -9.316 5.008 0.646 318 HG11 VAL 38 1HG1 VAL 38 -9.029 2.295 -0.712 319 HG12 VAL 38 2HG1 VAL 38 -8.677 3.864 -1.437 320 HG13 VAL 38 3HG1 VAL 38 -10.336 3.451 -1.000 321 HG21 VAL 38 1HG2 VAL 38 -9.877 3.754 2.695 322 HG22 VAL 38 2HG2 VAL 38 -9.766 2.228 1.815 323 HG23 VAL 38 3HG2 VAL 38 -11.037 3.389 1.415 324 H SER 39 H SER 39 -8.035 3.177 3.512 325 HA SER 39 HA SER 39 -7.830 5.594 4.913 326 HB2 SER 39 2HB SER 39 -7.321 2.789 6.012 327 HB3 SER 39 1HB SER 39 -7.906 4.195 6.912 328 HG SER 39 HG SER 39 -9.381 2.397 5.818 329 H TYR 40 H TYR 40 -5.495 3.041 4.255 330 HA TYR 40 HA TYR 40 -3.468 3.845 6.084 331 HB2 TYR 40 2HB TYR 40 -3.720 1.527 5.512 332 HB3 TYR 40 1HB TYR 40 -3.627 1.857 3.788 333 HD1 TYR 40 HD1 TYR 40 -1.447 2.590 6.779 334 HD2 TYR 40 HD2 TYR 40 -1.690 0.974 2.823 335 HE1 TYR 40 HE1 TYR 40 0.937 2.039 6.850 336 HE2 TYR 40 HE2 TYR 40 0.699 0.427 2.900 337 HH TYR 40 HH TYR 40 2.727 1.244 4.138 338 H LEU 41 H LEU 41 -3.372 3.687 2.494 339 HA LEU 41 HA LEU 41 -0.961 5.060 2.154 340 HB2 LEU 41 2HB LEU 41 -3.279 4.733 0.209 341 HB3 LEU 41 1HB LEU 41 -1.701 5.353 -0.250 342 HG LEU 41 HG LEU 41 -2.239 2.537 0.793 343 HD11 LEU 41 1HD1 LEU 41 -1.630 3.472 -2.031 344 HD12 LEU 41 2HD1 LEU 41 -3.180 2.866 -1.443 345 HD13 LEU 41 3HD1 LEU 41 -1.786 1.794 -1.499 346 HD21 LEU 41 1HD2 LEU 41 0.333 3.773 -0.260 347 HD22 LEU 41 2HD2 LEU 41 0.096 2.071 0.145 348 HD23 LEU 41 3HD2 LEU 41 0.005 3.291 1.410 349 H GLN 42 H GLN 42 -4.338 6.297 2.219 350 HA GLN 42 HA GLN 42 -3.734 8.976 1.465 351 HB2 GLN 42 2HB GLN 42 -6.007 7.994 1.412 352 HB3 GLN 42 1HB GLN 42 -6.027 7.945 3.167 353 HG2 GLN 42 2HG GLN 42 -5.909 10.429 3.209 354 HG3 GLN 42 1HG GLN 42 -5.949 10.440 1.448 355 HE21 GLN 42 1HE2 GLN 42 -7.926 8.246 1.259 356 HE22 GLN 42 2HE2 GLN 42 -9.424 8.941 1.754 357 H SER 43 H SER 43 -3.913 7.377 4.673 358 HA SER 43 HA SER 43 -3.498 9.642 6.290 359 HB2 SER 43 2HB SER 43 -2.785 6.727 6.775 360 HB3 SER 43 1HB SER 43 -2.619 7.985 8.006 361 HG SER 43 HG SER 43 -4.789 6.629 7.323 362 H ILE 44 H ILE 44 -1.173 7.480 4.690 363 HA ILE 44 HA ILE 44 1.223 8.574 5.733 364 HB ILE 44 HB ILE 44 0.756 7.244 3.021 365 HG12 ILE 44 2HG1 ILE 44 1.712 6.004 5.643 366 HG13 ILE 44 1HG1 ILE 44 0.111 5.792 4.949 367 HG21 ILE 44 1HG2 ILE 44 3.349 7.736 4.520 368 HG22 ILE 44 2HG2 ILE 44 2.859 8.486 3.000 369 HG23 ILE 44 3HG2 ILE 44 3.196 6.757 3.061 370 HD11 ILE 44 1HD1 ILE 44 2.706 4.829 3.737 371 HD12 ILE 44 2HD1 ILE 44 1.102 4.638 3.022 372 HD13 ILE 44 3HD1 ILE 44 1.486 3.851 4.550 373 H GLU 45 H GLU 45 -0.589 9.256 2.747 374 HA GLU 45 HA GLU 45 1.072 11.198 1.606 375 HB2 GLU 45 2HB GLU 45 -1.933 10.769 1.311 376 HB3 GLU 45 1HB GLU 45 -1.008 11.874 0.295 377 HG2 GLU 45 2HG GLU 45 0.306 10.027 -0.606 378 HG3 GLU 45 1HG GLU 45 -0.470 8.890 0.495 379 H THR 46 H THR 46 -1.601 11.564 3.948 380 HA THR 46 HA THR 46 -1.656 14.444 3.701 381 HB THR 46 HB THR 46 -3.752 13.256 4.153 382 HG1 THR 46 HG1 THR 46 -3.464 15.424 4.916 383 HG21 THR 46 1HG2 THR 46 -4.279 12.282 6.337 384 HG22 THR 46 2HG2 THR 46 -2.636 12.600 6.899 385 HG23 THR 46 3HG2 THR 46 -2.918 11.434 5.605 386 H VAL 47 H VAL 47 -0.241 12.150 6.108 387 HA VAL 47 HA VAL 47 0.581 14.209 7.937 388 HB VAL 47 HB VAL 47 2.107 12.570 8.976 389 HG11 VAL 47 1HG1 VAL 47 0.450 10.893 9.682 390 HG12 VAL 47 2HG1 VAL 47 -0.595 11.346 8.333 391 HG13 VAL 47 3HG1 VAL 47 -0.259 12.510 9.617 392 HG21 VAL 47 1HG2 VAL 47 1.369 10.683 6.713 393 HG22 VAL 47 2HG2 VAL 47 2.318 10.253 8.140 394 HG23 VAL 47 3HG2 VAL 47 2.951 11.419 6.976 395 H MET 48 H MET 48 1.987 12.845 5.016 396 HA MET 48 HA MET 48 4.487 14.313 5.272 397 HB2 MET 48 2HB MET 48 3.333 12.547 3.093 398 HB3 MET 48 1HB MET 48 4.885 13.373 2.925 399 HG2 MET 48 2HG MET 48 4.185 11.393 5.106 400 HG3 MET 48 1HG MET 48 5.171 11.063 3.682 401 HE1 MET 48 1HE MET 48 7.893 11.056 6.447 402 HE2 MET 48 2HE MET 48 7.215 10.196 5.067 403 HE3 MET 48 3HE MET 48 6.263 10.397 6.540 404 H GLU 49 H GLU 49 1.359 14.877 3.892 405 HA GLU 49 HA GLU 49 2.085 17.070 2.189 406 HB2 GLU 49 2HB GLU 49 -0.093 15.756 2.035 407 HB3 GLU 49 1HB GLU 49 -0.623 16.566 3.504 408 HG2 GLU 49 2HG GLU 49 -1.586 17.609 1.489 409 HG3 GLU 49 1HG GLU 49 -0.551 18.736 2.367 410 H LYS 50 H LYS 50 1.357 16.611 5.551 411 HA LYS 50 HA LYS 50 1.273 19.303 6.432 412 HB2 LYS 50 2HB LYS 50 0.507 17.180 7.681 413 HB3 LYS 50 1HB LYS 50 2.201 16.879 8.034 414 HG2 LYS 50 2HG LYS 50 1.147 17.908 9.961 415 HG3 LYS 50 1HG LYS 50 2.301 19.054 9.262 416 HD2 LYS 50 2HD LYS 50 0.439 20.229 8.114 417 HD3 LYS 50 1HD LYS 50 -0.712 19.072 8.787 418 HE2 LYS 50 2HE LYS 50 -0.081 19.848 11.070 419 HE3 LYS 50 1HE LYS 50 0.970 21.063 10.334 420 HZ1 LYS 50 1HZ LYS 50 -1.164 22.000 10.913 421 HZ2 LYS 50 2HZ LYS 50 -1.967 20.847 9.971 422 HZ3 LYS 50 3HZ LYS 50 -0.975 21.999 9.231 423 H GLN 51 H GLN 51 3.800 17.343 5.256 424 HA GLN 51 HA GLN 51 5.996 17.575 4.878 425 HB2 GLN 51 2HB GLN 51 5.448 19.956 4.342 426 HB3 GLN 51 1HB GLN 51 5.712 20.389 6.022 427 HG2 GLN 51 2HG GLN 51 7.612 21.045 4.586 428 HG3 GLN 51 1HG GLN 51 8.095 19.880 5.819 429 HE21 GLN 51 1HE2 GLN 51 9.927 19.221 4.649 430 HE22 GLN 51 2HE2 GLN 51 9.817 18.274 3.209 431 H THR 52 H THR 52 4.724 16.898 7.628 432 HA THR 52 HA THR 52 5.262 16.232 9.699 433 HB THR 52 HB THR 52 8.106 16.264 8.613 434 HG1 THR 52 HG1 THR 52 7.648 14.301 7.957 435 HG21 THR 52 1HG2 THR 52 8.728 14.795 10.513 436 HG22 THR 52 2HG2 THR 52 7.129 15.033 11.218 437 HG23 THR 52 3HG2 THR 52 8.235 16.396 11.071 438 HA PRO 53 HA PRO 53 5.568 20.465 11.423 439 HB2 PRO 53 2HB PRO 53 4.887 19.692 14.050 440 HB3 PRO 53 1HB PRO 53 3.728 20.101 12.772 441 HG2 PRO 53 2HG PRO 53 4.675 17.392 13.644 442 HG3 PRO 53 1HG PRO 53 3.032 17.934 13.229 443 HD2 PRO 53 2HD PRO 53 4.471 16.526 11.468 444 HD3 PRO 53 1HD PRO 53 3.451 17.874 10.915 445 HA PRO 54 HA PRO 54 9.880 20.205 12.833 446 HB2 PRO 54 2HB PRO 54 9.356 23.012 13.792 447 HB3 PRO 54 1HB PRO 54 10.637 22.408 12.717 448 HG2 PRO 54 2HG PRO 54 8.622 23.790 11.693 449 HG3 PRO 54 1HG PRO 54 9.228 22.345 10.844 450 HD2 PRO 54 2HD PRO 54 6.771 22.606 12.588 451 HD3 PRO 54 1HD PRO 54 6.953 21.799 11.013 452 H GLY 55 H GLY 55 7.238 21.139 14.946 453 HA2 GLY 55 2HA GLY 55 8.850 21.250 17.377 454 HA3 GLY 55 1HA GLY 55 7.130 21.550 17.230 455 H ILE 56 H ILE 56 9.342 18.804 16.704 456 HA ILE 56 HA ILE 56 7.494 17.019 18.189 457 HB ILE 56 HB ILE 56 9.488 16.302 15.988 458 HG12 ILE 56 2HG1 ILE 56 7.601 17.411 14.966 459 HG13 ILE 56 1HG1 ILE 56 7.422 15.691 14.653 460 HG21 ILE 56 1HG2 ILE 56 9.295 14.471 17.607 461 HG22 ILE 56 2HG2 ILE 56 8.538 14.023 16.079 462 HG23 ILE 56 3HG2 ILE 56 7.536 14.493 17.452 463 HD11 ILE 56 1HD1 ILE 56 5.911 17.336 16.674 464 HD12 ILE 56 2HD1 ILE 56 5.763 15.584 16.495 465 HD13 ILE 56 3HD1 ILE 56 5.301 16.652 15.170 466 H THR 57 H THR 57 8.278 16.699 20.185 467 HA THR 57 HA THR 57 11.054 16.967 20.908 468 HB THR 57 HB THR 57 9.248 17.526 22.519 469 HG1 THR 57 HG1 THR 57 10.387 16.809 24.207 470 HG21 THR 57 1HG2 THR 57 8.685 14.537 22.619 471 HG22 THR 57 2HG2 THR 57 7.597 15.775 21.988 472 HG23 THR 57 3HG2 THR 57 7.999 15.755 23.706 473 H ARG 58 H ARG 58 12.042 15.079 22.288 474 HA ARG 58 HA ARG 58 12.687 13.095 20.360 475 HB2 ARG 58 2HB ARG 58 14.203 12.182 22.184 476 HB3 ARG 58 1HB ARG 58 14.422 13.883 21.817 477 HG2 ARG 58 2HG ARG 58 14.544 13.868 24.141 478 HG3 ARG 58 1HG ARG 58 12.865 14.317 23.860 479 HD2 ARG 58 2HD ARG 58 12.343 11.796 24.147 480 HD3 ARG 58 1HD ARG 58 13.974 11.663 24.805 481 HE ARG 58 HE ARG 58 12.901 13.668 26.270 482 HH11 ARG 58 1HH1 ARG 58 11.800 10.395 25.564 483 HH12 ARG 58 2HH1 ARG 58 10.933 10.236 27.058 484 HH21 ARG 58 1HH2 ARG 58 11.740 13.421 28.235 485 HH22 ARG 58 2HH2 ARG 58 10.901 11.938 28.558 486 H SER 59 H SER 59 10.397 13.124 22.992 487 HA SER 59 HA SER 59 10.117 10.278 23.302 488 HB2 SER 59 2HB SER 59 9.598 11.875 25.132 489 HB3 SER 59 1HB SER 59 8.265 12.529 24.179 490 HG SER 59 HG SER 59 8.524 9.880 25.183 491 H ILE 60 H ILE 60 8.241 12.820 21.661 492 HA ILE 60 HA ILE 60 6.218 11.156 20.548 493 HB ILE 60 HB ILE 60 7.216 13.923 19.713 494 HG12 ILE 60 2HG1 ILE 60 4.731 13.125 21.295 495 HG13 ILE 60 1HG1 ILE 60 6.216 13.739 22.009 496 HG21 ILE 60 1HG2 ILE 60 5.090 14.159 18.434 497 HG22 ILE 60 2HG2 ILE 60 4.724 12.465 18.760 498 HG23 ILE 60 3HG2 ILE 60 6.126 12.890 17.777 499 HD11 ILE 60 1HD1 ILE 60 4.400 15.246 20.138 500 HD12 ILE 60 2HD1 ILE 60 5.892 15.863 20.854 501 HD13 ILE 60 3HD1 ILE 60 4.523 15.449 21.885 502 H GLN 61 H GLN 61 9.226 12.503 19.316 503 HA GLN 61 HA GLN 61 9.431 11.459 16.771 504 HB2 GLN 61 2HB GLN 61 10.971 13.121 17.677 505 HB3 GLN 61 1HB GLN 61 11.552 11.987 18.890 506 HG2 GLN 61 2HG GLN 61 12.491 10.582 17.026 507 HG3 GLN 61 1HG GLN 61 12.017 11.856 15.903 508 HE21 GLN 61 1HE2 GLN 61 13.175 13.800 15.892 509 HE22 GLN 61 2HE2 GLN 61 14.688 13.971 16.710 510 H ASP 62 H ASP 62 10.214 9.978 19.890 511 HA ASP 62 HA ASP 62 11.404 7.586 18.934 512 HB2 ASP 62 2HB ASP 62 11.788 8.420 21.218 513 HB3 ASP 62 1HB ASP 62 10.085 8.236 21.611 514 H MET 63 H MET 63 8.083 8.343 20.068 515 HA MET 63 HA MET 63 6.955 5.771 19.863 516 HB2 MET 63 2HB MET 63 5.551 8.454 19.503 517 HB3 MET 63 1HB MET 63 4.727 6.916 19.727 518 HG2 MET 63 2HG MET 63 5.838 6.726 21.959 519 HG3 MET 63 1HG MET 63 6.465 8.359 21.732 520 HE1 MET 63 1HE MET 63 4.778 10.488 21.292 521 HE2 MET 63 2HE MET 63 3.034 10.393 21.526 522 HE3 MET 63 3HE MET 63 3.773 9.621 20.122 523 H VAL 64 H VAL 64 6.910 8.470 17.556 524 HA VAL 64 HA VAL 64 5.510 7.009 15.548 525 HB VAL 64 HB VAL 64 5.812 8.913 14.076 526 HG11 VAL 64 1HG1 VAL 64 5.201 9.846 16.910 527 HG12 VAL 64 2HG1 VAL 64 4.064 9.058 15.816 528 HG13 VAL 64 3HG1 VAL 64 4.704 10.651 15.415 529 HG21 VAL 64 1HG2 VAL 64 8.169 9.443 14.561 530 HG22 VAL 64 2HG2 VAL 64 7.716 10.063 16.149 531 HG23 VAL 64 3HG2 VAL 64 7.156 10.879 14.688 532 H ALA 65 H ALA 65 8.958 7.423 16.259 533 HA ALA 65 HA ALA 65 9.985 6.504 13.769 534 HB1 ALA 65 1HB ALA 65 12.057 5.980 14.993 535 HB2 ALA 65 2HB ALA 65 11.212 6.185 16.531 536 HB3 ALA 65 3HB ALA 65 11.437 7.567 15.459 537 H GLY 66 H GLY 66 8.896 4.836 16.716 538 HA2 GLY 66 2HA GLY 66 9.308 2.155 15.915 539 HA3 GLY 66 1HA GLY 66 8.089 2.715 17.051 540 H TYR 67 H TYR 67 6.546 4.365 15.439 541 HA TYR 67 HA TYR 67 4.816 2.509 14.145 542 HB2 TYR 67 2HB TYR 67 4.793 5.559 14.129 543 HB3 TYR 67 1HB TYR 67 3.484 4.551 13.512 544 HD1 TYR 67 HD1 TYR 67 3.765 6.675 15.988 545 HD2 TYR 67 HD2 TYR 67 3.375 2.428 15.647 546 HE1 TYR 67 HE1 TYR 67 2.754 6.587 18.225 547 HE2 TYR 67 HE2 TYR 67 2.365 2.343 17.874 548 HH TYR 67 HH TYR 67 2.259 3.627 19.902 549 H ILE 68 H ILE 68 7.299 4.694 12.915 550 HA ILE 68 HA ILE 68 6.591 4.433 10.134 551 HB ILE 68 HB ILE 68 9.183 5.489 11.373 552 HG12 ILE 68 2HG1 ILE 68 6.867 7.038 10.125 553 HG13 ILE 68 1HG1 ILE 68 7.133 6.876 11.848 554 HG21 ILE 68 1HG2 ILE 68 8.250 5.637 8.475 555 HG22 ILE 68 2HG2 ILE 68 9.599 4.674 9.082 556 HG23 ILE 68 3HG2 ILE 68 9.686 6.433 9.128 557 HD11 ILE 68 1HD1 ILE 68 7.875 9.035 11.047 558 HD12 ILE 68 2HD1 ILE 68 8.980 8.266 9.909 559 HD13 ILE 68 3HD1 ILE 68 9.242 8.099 11.648 560 H LYS 69 H LYS 69 8.876 2.894 12.386 561 HA LYS 69 HA LYS 69 10.187 1.227 10.508 562 HB2 LYS 69 2HB LYS 69 11.014 1.672 12.832 563 HB3 LYS 69 1HB LYS 69 9.704 0.682 13.468 564 HG2 LYS 69 2HG LYS 69 10.616 -1.302 12.348 565 HG3 LYS 69 1HG LYS 69 11.877 -0.322 11.597 566 HD2 LYS 69 2HD LYS 69 12.721 -1.613 13.538 567 HD3 LYS 69 1HD LYS 69 12.887 0.128 13.783 568 HE2 LYS 69 2HE LYS 69 10.976 0.151 15.275 569 HE3 LYS 69 1HE LYS 69 10.598 -1.529 14.893 570 HZ1 LYS 69 1HZ LYS 69 12.639 -2.207 15.942 571 HZ2 LYS 69 2HZ LYS 69 11.705 -1.306 17.022 572 HZ3 LYS 69 3HZ LYS 69 13.051 -0.604 16.274 573 H GLN 70 H GLN 70 7.123 0.913 12.261 574 HA GLN 70 HA GLN 70 6.534 -1.793 11.558 575 HB2 GLN 70 2HB GLN 70 4.652 0.480 12.320 576 HB3 GLN 70 1HB GLN 70 4.153 -1.200 12.133 577 HG2 GLN 70 2HG GLN 70 5.671 -1.839 13.973 578 HG3 GLN 70 1HG GLN 70 6.130 -0.150 14.166 579 HE21 GLN 70 1HE2 GLN 70 2.849 -1.390 13.543 580 HE22 GLN 70 2HE2 GLN 70 2.201 -0.857 15.051 581 H THR 71 H THR 71 5.491 1.359 10.161 582 HA THR 71 HA THR 71 3.839 0.215 8.173 583 HB THR 71 HB THR 71 3.583 2.578 8.928 584 HG1 THR 71 HG1 THR 71 3.471 1.663 6.388 585 HG21 THR 71 1HG2 THR 71 4.934 4.378 7.997 586 HG22 THR 71 2HG2 THR 71 5.969 3.214 7.169 587 HG23 THR 71 3HG2 THR 71 5.964 3.290 8.930 588 H LEU 72 H LEU 72 7.286 1.110 8.176 589 HA LEU 72 HA LEU 72 7.796 0.663 5.409 590 HB2 LEU 72 2HB LEU 72 9.611 0.673 7.845 591 HB3 LEU 72 1HB LEU 72 10.231 0.417 6.221 592 HG LEU 72 HG LEU 72 8.741 2.927 7.091 593 HD11 LEU 72 1HD1 LEU 72 10.870 2.737 8.288 594 HD12 LEU 72 2HD1 LEU 72 10.909 4.044 7.109 595 HD13 LEU 72 3HD1 LEU 72 11.726 2.519 6.757 596 HD21 LEU 72 1HD2 LEU 72 9.620 3.854 4.968 597 HD22 LEU 72 2HD2 LEU 72 8.529 2.500 4.700 598 HD23 LEU 72 3HD2 LEU 72 10.274 2.269 4.550 599 H ASP 73 H ASP 73 8.086 -1.405 8.295 600 HA ASP 73 HA ASP 73 9.235 -3.682 7.117 601 HB2 ASP 73 2HB ASP 73 9.179 -3.481 9.541 602 HB3 ASP 73 1HB ASP 73 7.422 -3.368 9.550 603 H ASN 74 H ASN 74 5.826 -2.929 7.792 604 HA ASN 74 HA ASN 74 4.789 -5.367 6.780 605 HB2 ASN 74 2HB ASN 74 3.308 -2.750 7.266 606 HB3 ASN 74 1HB ASN 74 2.571 -4.341 7.107 607 HD21 ASN 74 1HD2 ASN 74 4.816 -5.544 8.801 608 HD22 ASN 74 2HD2 ASN 74 4.375 -5.105 10.407 609 H GLU 75 H GLU 75 5.196 -2.125 5.408 610 HA GLU 75 HA GLU 75 3.747 -2.651 2.979 611 HB2 GLU 75 2HB GLU 75 3.917 -0.420 4.022 612 HB3 GLU 75 1HB GLU 75 5.646 -0.397 3.710 613 HG2 GLU 75 2HG GLU 75 5.307 -0.212 1.346 614 HG3 GLU 75 1HG GLU 75 3.584 -0.562 1.505 615 H GLN 76 H GLN 76 7.096 -2.990 3.964 616 HA GLN 76 HA GLN 76 8.209 -3.499 1.377 617 HB2 GLN 76 2HB GLN 76 9.644 -2.974 3.310 618 HB3 GLN 76 1HB GLN 76 9.098 -4.420 4.149 619 HG2 GLN 76 2HG GLN 76 10.183 -5.818 2.410 620 HG3 GLN 76 1HG GLN 76 10.736 -4.359 1.593 621 HE21 GLN 76 1HE2 GLN 76 10.729 -4.747 5.111 622 HE22 GLN 76 2HE2 GLN 76 12.444 -4.780 5.279 623 H LEU 77 H LEU 77 6.729 -5.504 3.902 624 HA LEU 77 HA LEU 77 7.014 -8.006 2.556 625 HB2 LEU 77 2HB LEU 77 5.135 -7.137 4.779 626 HB3 LEU 77 1HB LEU 77 5.292 -8.797 4.223 627 HG LEU 77 HG LEU 77 7.490 -7.147 5.533 628 HD11 LEU 77 1HD1 LEU 77 7.278 -8.671 7.427 629 HD12 LEU 77 2HD1 LEU 77 5.939 -9.505 6.632 630 HD13 LEU 77 3HD1 LEU 77 5.765 -7.819 7.126 631 HD21 LEU 77 1HD2 LEU 77 8.454 -8.675 3.891 632 HD22 LEU 77 2HD2 LEU 77 7.570 -10.034 4.591 633 HD23 LEU 77 3HD2 LEU 77 8.826 -9.217 5.525 634 H LEU 78 H LEU 78 4.520 -5.479 2.559 635 HA LEU 78 HA LEU 78 2.568 -6.794 0.951 636 HB2 LEU 78 2HB LEU 78 3.211 -3.839 1.282 637 HB3 LEU 78 1HB LEU 78 1.830 -4.423 0.369 638 HG LEU 78 HG LEU 78 2.228 -4.907 3.344 639 HD11 LEU 78 1HD1 LEU 78 1.963 -2.506 2.821 640 HD12 LEU 78 2HD1 LEU 78 0.609 -3.159 3.731 641 HD13 LEU 78 3HD1 LEU 78 0.441 -2.862 1.998 642 HD21 LEU 78 1HD2 LEU 78 0.831 -6.620 2.266 643 HD22 LEU 78 2HD2 LEU 78 -0.206 -5.366 1.576 644 HD23 LEU 78 3HD2 LEU 78 -0.131 -5.594 3.327 645 H LYS 79 H LYS 79 5.451 -4.871 0.248 646 HA LYS 79 HA LYS 79 5.072 -4.403 -2.480 647 HB2 LYS 79 2HB LYS 79 6.815 -3.301 -1.062 648 HB3 LYS 79 1HB LYS 79 7.720 -4.813 -1.041 649 HG2 LYS 79 2HG LYS 79 7.913 -4.688 -3.532 650 HG3 LYS 79 1HG LYS 79 7.097 -3.122 -3.484 651 HD2 LYS 79 2HD LYS 79 8.969 -2.294 -1.986 652 HD3 LYS 79 1HD LYS 79 9.799 -3.825 -2.279 653 HE2 LYS 79 2HE LYS 79 10.650 -2.054 -3.765 654 HE3 LYS 79 1HE LYS 79 9.868 -3.333 -4.694 655 HZ1 LYS 79 1HZ LYS 79 7.935 -1.967 -4.959 656 HZ2 LYS 79 2HZ LYS 79 9.287 -1.065 -5.427 657 HZ3 LYS 79 3HZ LYS 79 8.557 -0.776 -3.933 658 H GLY 80 H GLY 80 6.974 -6.979 -0.866 659 HA2 GLY 80 2HA GLY 80 7.591 -8.496 -3.173 660 HA3 GLY 80 1HA GLY 80 7.596 -9.084 -1.520 661 H LEU 81 H LEU 81 4.953 -8.831 -0.808 662 HA LEU 81 HA LEU 81 3.880 -11.281 -1.681 663 HB2 LEU 81 2HB LEU 81 3.565 -10.050 0.538 664 HB3 LEU 81 1HB LEU 81 2.393 -9.028 -0.262 665 HG LEU 81 HG LEU 81 2.028 -12.052 -0.005 666 HD11 LEU 81 1HD1 LEU 81 0.991 -9.904 1.879 667 HD12 LEU 81 2HD1 LEU 81 2.237 -11.102 2.246 668 HD13 LEU 81 3HD1 LEU 81 0.587 -11.624 1.929 669 HD21 LEU 81 1HD2 LEU 81 -0.372 -11.569 -0.351 670 HD22 LEU 81 2HD2 LEU 81 0.589 -11.011 -1.718 671 HD23 LEU 81 3HD2 LEU 81 -0.006 -9.849 -0.533 672 H LEU 82 H LEU 82 2.606 -7.979 -2.186 673 HA LEU 82 HA LEU 82 0.538 -8.760 -3.953 674 HB2 LEU 82 2HB LEU 82 1.696 -5.983 -3.538 675 HB3 LEU 82 1HB LEU 82 0.164 -6.345 -4.319 676 HG LEU 82 HG LEU 82 0.830 -6.784 -1.378 677 HD11 LEU 82 1HD1 LEU 82 0.515 -4.432 -1.930 678 HD12 LEU 82 2HD1 LEU 82 -0.815 -5.029 -0.943 679 HD13 LEU 82 3HD1 LEU 82 -1.047 -4.791 -2.678 680 HD21 LEU 82 1HD2 LEU 82 -1.780 -7.339 -2.823 681 HD22 LEU 82 2HD2 LEU 82 -1.512 -7.439 -1.081 682 HD23 LEU 82 3HD2 LEU 82 -0.676 -8.549 -2.161 683 H GLN 83 H GLN 83 3.915 -7.760 -4.521 684 HA GLN 83 HA GLN 83 3.780 -7.310 -7.310 685 HB2 GLN 83 2HB GLN 83 5.797 -6.771 -6.026 686 HB3 GLN 83 1HB GLN 83 6.045 -8.465 -5.630 687 HG2 GLN 83 2HG GLN 83 6.457 -8.936 -8.042 688 HG3 GLN 83 1HG GLN 83 6.275 -7.218 -8.390 689 HE21 GLN 83 1HE2 GLN 83 7.930 -8.508 -5.536 690 HE22 GLN 83 2HE2 GLN 83 9.511 -7.997 -6.002 691 H GLN 84 H GLN 84 4.348 -10.311 -5.445 692 HA GLN 84 HA GLN 84 4.604 -12.154 -7.552 693 HB2 GLN 84 2HB GLN 84 3.410 -12.571 -4.779 694 HB3 GLN 84 1HB GLN 84 3.869 -13.874 -5.874 695 HG2 GLN 84 2HG GLN 84 6.205 -13.224 -5.740 696 HG3 GLN 84 1HG GLN 84 5.797 -11.818 -4.763 697 HE21 GLN 84 1HE2 GLN 84 4.354 -15.034 -4.327 698 HE22 GLN 84 2HE2 GLN 84 5.083 -15.331 -2.791 699 H ARG 85 H ARG 85 1.745 -11.032 -5.777 700 HA ARG 85 HA ARG 85 -0.216 -12.635 -6.989 701 HB2 ARG 85 2HB ARG 85 -0.545 -9.835 -5.835 702 HB3 ARG 85 1HB ARG 85 -1.848 -10.979 -6.127 703 HG2 ARG 85 2HG ARG 85 0.432 -11.457 -4.190 704 HG3 ARG 85 1HG ARG 85 -1.128 -10.780 -3.730 705 HD2 ARG 85 2HD ARG 85 -1.316 -13.032 -3.154 706 HD3 ARG 85 1HD ARG 85 -2.138 -12.958 -4.707 707 HE ARG 85 HE ARG 85 0.157 -13.796 -5.587 708 HH11 ARG 85 1HH1 ARG 85 -1.285 -14.762 -2.517 709 HH12 ARG 85 2HH1 ARG 85 -0.506 -16.311 -2.511 710 HH21 ARG 85 1HH2 ARG 85 1.106 -15.860 -5.577 711 HH22 ARG 85 2HH2 ARG 85 0.842 -16.934 -4.238 712 H LEU 86 H LEU 86 0.847 -9.327 -7.771 713 HA LEU 86 HA LEU 86 -0.883 -8.805 -9.929 714 HB2 LEU 86 2HB LEU 86 1.843 -7.639 -9.229 715 HB3 LEU 86 1HB LEU 86 0.840 -7.016 -10.532 716 HG LEU 86 HG LEU 86 0.053 -7.046 -7.594 717 HD11 LEU 86 1HD1 LEU 86 0.366 -4.628 -7.654 718 HD12 LEU 86 2HD1 LEU 86 0.944 -4.724 -9.320 719 HD13 LEU 86 3HD1 LEU 86 1.870 -5.472 -8.014 720 HD21 LEU 86 1HD2 LEU 86 -1.374 -5.861 -9.995 721 HD22 LEU 86 2HD2 LEU 86 -1.827 -5.618 -8.309 722 HD23 LEU 86 3HD2 LEU 86 -1.911 -7.229 -9.013 723 H ASP 87 H ASP 87 2.302 -10.315 -9.776 724 HA ASP 87 HA ASP 87 2.934 -10.379 -12.525 725 HB2 ASP 87 2HB ASP 87 4.600 -10.865 -10.729 726 HB3 ASP 87 1HB ASP 87 3.729 -12.334 -10.306 727 H GLU 88 H GLU 88 1.299 -12.710 -10.400 728 HA GLU 88 HA GLU 88 0.772 -14.725 -12.332 729 HB2 GLU 88 2HB GLU 88 -0.615 -14.111 -9.692 730 HB3 GLU 88 1HB GLU 88 -0.793 -15.615 -10.598 731 HG2 GLU 88 2HG GLU 88 1.505 -16.215 -10.223 732 HG3 GLU 88 1HG GLU 88 1.874 -14.616 -9.571 733 H LEU 89 H LEU 89 -1.224 -12.055 -11.041 734 HA LEU 89 HA LEU 89 -3.639 -12.639 -12.362 735 HB2 LEU 89 2HB LEU 89 -2.581 -9.939 -11.415 736 HB3 LEU 89 1HB LEU 89 -4.234 -10.221 -11.940 737 HG LEU 89 HG LEU 89 -2.912 -11.457 -9.489 738 HD11 LEU 89 1HD1 LEU 89 -4.429 -10.080 -8.175 739 HD12 LEU 89 2HD1 LEU 89 -5.075 -9.350 -9.647 740 HD13 LEU 89 3HD1 LEU 89 -3.391 -9.079 -9.189 741 HD21 LEU 89 1HD2 LEU 89 -4.533 -13.018 -10.452 742 HD22 LEU 89 2HD2 LEU 89 -5.775 -11.762 -10.449 743 HD23 LEU 89 3HD2 LEU 89 -5.118 -12.364 -8.925 744 H SER 90 H SER 90 -1.034 -10.343 -13.229 745 HA SER 90 HA SER 90 -2.003 -9.467 -15.707 746 HB2 SER 90 2HB SER 90 -0.151 -8.362 -14.481 747 HB3 SER 90 1HB SER 90 0.901 -9.739 -14.797 748 HG SER 90 HG SER 90 1.395 -8.358 -16.384 749 H SER 91 H SER 91 0.012 -12.275 -14.889 750 HA SER 91 HA SER 91 0.675 -13.107 -17.505 751 HB2 SER 91 2HB SER 91 1.837 -13.922 -15.447 752 HB3 SER 91 1HB SER 91 0.381 -14.809 -14.991 753 HG SER 91 HG SER 91 2.179 -15.279 -17.115 754 H LEU 92 H LEU 92 -2.138 -13.664 -15.465 755 HA LEU 92 HA LEU 92 -3.368 -15.622 -17.223 756 HB2 LEU 92 2HB LEU 92 -4.301 -14.224 -14.686 757 HB3 LEU 92 1HB LEU 92 -5.272 -15.413 -15.539 758 HG LEU 92 HG LEU 92 -2.558 -15.943 -14.264 759 HD11 LEU 92 1HD1 LEU 92 -3.760 -17.300 -12.634 760 HD12 LEU 92 2HD1 LEU 92 -5.303 -16.859 -13.371 761 HD13 LEU 92 3HD1 LEU 92 -4.311 -15.626 -12.589 762 HD21 LEU 92 1HD2 LEU 92 -2.850 -17.326 -16.252 763 HD22 LEU 92 2HD2 LEU 92 -4.430 -17.871 -15.680 764 HD23 LEU 92 3HD2 LEU 92 -2.964 -18.314 -14.799 765 H ILE 93 H ILE 93 -3.594 -12.149 -16.660 766 HA ILE 93 HA ILE 93 -6.092 -11.652 -17.938 767 HB ILE 93 HB ILE 93 -3.735 -9.784 -17.423 768 HG12 ILE 93 2HG1 ILE 93 -6.442 -9.908 -16.019 769 HG13 ILE 93 1HG1 ILE 93 -4.974 -10.651 -15.402 770 HG21 ILE 93 1HG2 ILE 93 -6.497 -9.026 -18.449 771 HG22 ILE 93 2HG2 ILE 93 -4.983 -8.896 -19.343 772 HG23 ILE 93 3HG2 ILE 93 -5.259 -7.880 -17.929 773 HD11 ILE 93 1HD1 ILE 93 -5.391 -8.564 -14.289 774 HD12 ILE 93 2HD1 ILE 93 -5.431 -7.701 -15.825 775 HD13 ILE 93 3HD1 ILE 93 -3.925 -8.433 -15.258 776 H GLY 94 H GLY 94 -2.699 -11.349 -19.069 777 HA2 GLY 94 2HA GLY 94 -3.211 -10.341 -21.636 778 HA3 GLY 94 1HA GLY 94 -1.764 -11.204 -21.149 779 H GLN 95 H GLN 95 -3.371 -13.633 -20.463 780 HA GLN 95 HA GLN 95 -3.337 -14.982 -22.977 781 HB2 GLN 95 2HB GLN 95 -4.559 -15.872 -20.325 782 HB3 GLN 95 1HB GLN 95 -4.240 -16.918 -21.704 783 HG2 GLN 95 2HG GLN 95 -2.140 -15.469 -20.068 784 HG3 GLN 95 1HG GLN 95 -2.557 -17.173 -19.915 785 HE21 GLN 95 1HE2 GLN 95 -1.886 -18.607 -21.545 786 HE22 GLN 95 2HE2 GLN 95 -0.659 -18.197 -22.688 787 H VAL 96 H VAL 96 -5.964 -13.969 -20.788 788 HA VAL 96 HA VAL 96 -8.060 -14.989 -22.552 789 HB VAL 96 HB VAL 96 -9.630 -14.278 -20.747 790 HG11 VAL 96 1HG1 VAL 96 -8.636 -16.521 -20.643 791 HG12 VAL 96 2HG1 VAL 96 -8.873 -15.883 -19.016 792 HG13 VAL 96 3HG1 VAL 96 -7.258 -15.895 -19.734 793 HG21 VAL 96 1HG2 VAL 96 -8.410 -12.282 -19.930 794 HG22 VAL 96 2HG2 VAL 96 -7.153 -13.320 -19.256 795 HG23 VAL 96 3HG2 VAL 96 -8.795 -13.384 -18.607 796 H LEU 97 H LEU 97 -6.519 -11.952 -22.008 797 HA LEU 97 HA LEU 97 -8.744 -10.353 -23.093 798 HB2 LEU 97 2HB LEU 97 -7.360 -9.712 -20.970 799 HB3 LEU 97 1HB LEU 97 -6.079 -9.282 -22.081 800 HG LEU 97 HG LEU 97 -8.843 -7.986 -22.050 801 HD11 LEU 97 1HD1 LEU 97 -6.246 -6.934 -20.894 802 HD12 LEU 97 2HD1 LEU 97 -7.663 -7.473 -19.987 803 HD13 LEU 97 3HD1 LEU 97 -7.768 -6.045 -21.009 804 HD21 LEU 97 1HD2 LEU 97 -7.854 -6.216 -23.456 805 HD22 LEU 97 2HD2 LEU 97 -7.812 -7.781 -24.261 806 HD23 LEU 97 3HD2 LEU 97 -6.341 -7.125 -23.544 807 H PHE 98 H PHE 98 -8.767 -10.278 -25.227 808 HA PHE 98 HA PHE 98 -6.328 -10.587 -26.833 809 HB2 PHE 98 2HB PHE 98 -9.258 -10.638 -27.680 810 HB3 PHE 98 1HB PHE 98 -7.879 -11.043 -28.698 811 HD1 PHE 98 HD1 PHE 98 -6.345 -12.999 -27.840 812 HD2 PHE 98 HD2 PHE 98 -10.375 -12.388 -26.529 813 HE1 PHE 98 HE1 PHE 98 -6.466 -15.338 -27.100 814 HE2 PHE 98 HE2 PHE 98 -10.483 -14.730 -25.792 815 HZ PHE 98 HZ PHE 98 -8.530 -16.203 -26.073 816 H GLN 99 H GLN 99 -5.461 -8.535 -26.521 817 HA GLN 99 HA GLN 99 -6.962 -6.142 -27.256 818 HB2 GLN 99 2HB GLN 99 -4.711 -4.987 -26.716 819 HB3 GLN 99 1HB GLN 99 -5.561 -5.772 -25.397 820 HG2 GLN 99 2HG GLN 99 -3.229 -6.241 -25.141 821 HG3 GLN 99 1HG GLN 99 -4.028 -7.734 -25.620 822 HE21 GLN 99 1HE2 GLN 99 -3.129 -5.125 -27.854 823 HE22 GLN 99 2HE2 GLN 99 -1.916 -6.029 -28.677 824 H GLY 100 H GLY 100 -5.642 -8.459 -29.145 825 HA2 GLY 100 2HA GLY 100 -5.690 -6.986 -31.523 826 HA3 GLY 100 1HA GLY 100 -4.012 -7.075 -31.002 827 HA PRO 101 HA PRO 101 -3.653 -11.161 -32.766 828 HB2 PRO 101 2HB PRO 101 -2.087 -12.559 -30.992 829 HB3 PRO 101 1HB PRO 101 -1.446 -11.228 -31.977 830 HG2 PRO 101 2HG PRO 101 -2.347 -11.166 -29.110 831 HG3 PRO 101 1HG PRO 101 -0.891 -10.456 -29.845 832 HD2 PRO 101 2HD PRO 101 -3.098 -8.960 -29.319 833 HD3 PRO 101 1HD PRO 101 -2.041 -8.622 -30.706 834 H SER 102 H SER 102 -4.517 -13.235 -32.763 835 HA SER 102 HA SER 102 -5.888 -14.970 -32.334 836 HB2 SER 102 2HB SER 102 -5.335 -14.330 -29.399 837 HB3 SER 102 1HB SER 102 -5.981 -15.852 -30.020 838 HG SER 102 HG SER 102 -3.798 -16.110 -29.759 839 H ALA 103 H ALA 103 -6.950 -12.268 -32.604 840 HA ALA 103 HA ALA 103 -9.568 -12.474 -31.219 841 HB1 ALA 103 1HB ALA 103 -8.188 -10.616 -30.340 842 HB2 ALA 103 2HB ALA 103 -9.621 -10.018 -31.172 843 HB3 ALA 103 3HB ALA 103 -8.045 -9.944 -31.965 844 H GLY 104 H GLY 104 -11.098 -13.008 -32.686 845 HA2 GLY 104 2HA GLY 104 -10.977 -12.486 -35.508 846 HA3 GLY 104 1HA GLY 104 -12.393 -13.000 -34.598 847 H LEU 105 H LEU 105 -13.402 -11.287 -33.188 848 HA LEU 105 HA LEU 105 -13.460 -8.620 -34.358 849 HB2 LEU 105 2HB LEU 105 -15.026 -8.091 -32.473 850 HB3 LEU 105 1HB LEU 105 -15.542 -9.431 -33.469 851 HG LEU 105 HG LEU 105 -14.557 -10.956 -31.564 852 HD11 LEU 105 1HD1 LEU 105 -14.644 -10.014 -29.296 853 HD12 LEU 105 2HD1 LEU 105 -14.892 -8.398 -29.965 854 HD13 LEU 105 3HD1 LEU 105 -13.382 -9.259 -30.262 855 HD21 LEU 105 1HD2 LEU 105 -16.681 -10.922 -30.348 856 HD22 LEU 105 2HD2 LEU 105 -16.936 -10.809 -32.088 857 HD23 LEU 105 3HD2 LEU 105 -17.090 -9.367 -31.082 858 H VAL 106 H VAL 106 -12.713 -6.698 -33.200 859 HA VAL 106 HA VAL 106 -10.391 -7.237 -31.445 860 HB VAL 106 HB VAL 106 -11.091 -4.632 -32.888 861 HG11 VAL 106 1HG1 VAL 106 -8.758 -3.984 -32.409 862 HG12 VAL 106 2HG1 VAL 106 -8.491 -5.506 -31.557 863 HG13 VAL 106 3HG1 VAL 106 -9.631 -4.322 -30.911 864 HG21 VAL 106 1HG2 VAL 106 -9.346 -5.220 -34.535 865 HG22 VAL 106 2HG2 VAL 106 -10.653 -6.405 -34.543 866 HG23 VAL 106 3HG2 VAL 106 -9.122 -6.787 -33.752 867 HA PRO 107 HA PRO 107 -13.016 -5.211 -28.235 868 HB2 PRO 107 2HB PRO 107 -12.608 -6.942 -26.229 869 HB3 PRO 107 1HB PRO 107 -13.607 -7.428 -27.615 870 HG2 PRO 107 2HG PRO 107 -10.800 -8.215 -26.956 871 HG3 PRO 107 1HG PRO 107 -12.085 -9.164 -27.733 872 HD2 PRO 107 2HD PRO 107 -9.990 -7.732 -29.063 873 HD3 PRO 107 1HD PRO 107 -11.390 -8.521 -29.815 874 H ARG 108 H ARG 108 -10.270 -4.457 -29.066 875 HA ARG 108 HA ARG 108 -8.581 -4.161 -26.766 876 HB2 ARG 108 2HB ARG 108 -7.702 -4.217 -29.106 877 HB3 ARG 108 1HB ARG 108 -8.517 -2.694 -29.437 878 HG2 ARG 108 2HG ARG 108 -7.071 -1.587 -27.720 879 HG3 ARG 108 1HG ARG 108 -6.227 -3.118 -27.487 880 HD2 ARG 108 2HD ARG 108 -4.991 -1.566 -28.977 881 HD3 ARG 108 1HD ARG 108 -5.430 -3.075 -29.788 882 HE ARG 108 HE ARG 108 -7.407 -1.059 -30.198 883 HH11 ARG 108 1HH1 ARG 108 -4.204 -1.984 -31.347 884 HH12 ARG 108 2HH1 ARG 108 -4.414 -1.225 -32.890 885 HH21 ARG 108 1HH2 ARG 108 -7.668 -0.097 -32.219 886 HH22 ARG 108 2HH2 ARG 108 -6.381 -0.154 -33.378 887 H GLY 109 H GLY 109 -11.354 -2.482 -27.899 888 HA2 GLY 109 2HA GLY 109 -11.060 0.135 -26.976 889 HA3 GLY 109 1HA GLY 109 -12.584 -0.738 -27.063 890 H SER 110 H SER 110 -10.361 0.690 -25.000 891 HA SER 110 HA SER 110 -10.172 -0.973 -22.762 892 HB2 SER 110 2HB SER 110 -9.993 2.066 -22.927 893 HB3 SER 110 1HB SER 110 -9.423 1.088 -21.574 894 HG SER 110 HG SER 110 -8.070 -0.004 -23.172 895 H GLY 111 H GLY 111 -12.039 -1.835 -21.957 896 HA2 GLY 111 2HA GLY 111 -13.481 -0.527 -19.989 897 HA3 GLY 111 1HA GLY 111 -14.451 -0.384 -21.453 898 H GLY 112 H GLY 112 -15.261 -2.313 -22.462 899 HA2 GLY 112 2HA GLY 112 -15.264 -4.761 -20.811 900 HA3 GLY 112 1HA GLY 112 -16.787 -3.939 -21.119 901 H ILE 113 H ILE 113 -15.665 -6.608 -21.880 902 HA ILE 113 HA ILE 113 -15.839 -6.586 -24.828 903 HB ILE 113 HB ILE 113 -15.205 -8.978 -22.997 904 HG12 ILE 113 2HG1 ILE 113 -12.764 -8.574 -23.997 905 HG13 ILE 113 1HG1 ILE 113 -13.331 -6.929 -24.227 906 HG21 ILE 113 1HG2 ILE 113 -15.994 -9.654 -25.235 907 HG22 ILE 113 2HG2 ILE 113 -14.288 -10.053 -25.034 908 HG23 ILE 113 3HG2 ILE 113 -14.755 -8.644 -25.988 909 HD11 ILE 113 1HD1 ILE 113 -12.031 -7.177 -22.200 910 HD12 ILE 113 2HD1 ILE 113 -13.162 -8.388 -21.597 911 HD13 ILE 113 3HD1 ILE 113 -13.692 -6.719 -21.825 912 H GLU 114 H GLU 114 -17.318 -8.360 -25.758 913 HA GLU 114 HA GLU 114 -19.878 -8.607 -24.345 914 HB2 GLU 114 2HB GLU 114 -20.614 -9.705 -26.505 915 HB3 GLU 114 1HB GLU 114 -20.027 -8.058 -26.696 916 HG2 GLU 114 2HG GLU 114 -17.893 -8.878 -27.563 917 HG3 GLU 114 1HG GLU 114 -18.394 -10.547 -27.298 918 H GLY 115 H GLY 115 -20.599 -10.484 -23.367 919 HA2 GLY 115 2HA GLY 115 -20.911 -12.847 -23.243 920 HA3 GLY 115 1HA GLY 115 -19.327 -13.087 -23.962 921 H SER 428 H SER 428 -19.368 -14.690 -22.104 922 HA SER 428 HA SER 428 -19.104 -13.833 -19.387 923 HB2 SER 428 2HB SER 428 -19.870 -16.109 -20.048 924 HB3 SER 428 1HB SER 428 -18.262 -16.459 -20.689 925 HG SER 428 HG SER 428 -18.913 -15.859 -17.985 926 H ILE 429 H ILE 429 -16.879 -14.128 -22.035 927 HA ILE 429 HA ILE 429 -14.389 -14.238 -20.778 928 HB ILE 429 HB ILE 429 -14.603 -14.579 -23.175 929 HG12 ILE 429 2HG1 ILE 429 -12.423 -13.413 -22.167 930 HG13 ILE 429 1HG1 ILE 429 -12.580 -13.682 -23.893 931 HG21 ILE 429 1HG2 ILE 429 -16.446 -13.100 -23.696 932 HG22 ILE 429 2HG2 ILE 429 -15.100 -12.785 -24.793 933 HG23 ILE 429 3HG2 ILE 429 -15.427 -11.679 -23.457 934 HD11 ILE 429 1HD1 ILE 429 -13.051 -11.071 -22.464 935 HD12 ILE 429 2HD1 ILE 429 -13.168 -11.331 -24.209 936 HD13 ILE 429 3HD1 ILE 429 -11.620 -11.523 -23.386 937 H ASP 430 H ASP 430 -16.564 -11.514 -21.388 938 HA ASP 430 HA ASP 430 -14.971 -9.358 -20.606 939 HB2 ASP 430 2HB ASP 430 -17.133 -8.967 -21.616 940 HB3 ASP 430 1HB ASP 430 -17.961 -9.840 -20.332 941 H GLU 431 H GLU 431 -16.953 -11.577 -18.661 942 HA GLU 431 HA GLU 431 -16.758 -10.220 -16.188 943 HB2 GLU 431 2HB GLU 431 -17.209 -13.201 -16.614 944 HB3 GLU 431 1HB GLU 431 -17.645 -12.266 -15.184 945 HG2 GLU 431 2HG GLU 431 -19.317 -11.022 -16.497 946 HG3 GLU 431 1HG GLU 431 -18.859 -11.925 -17.946 947 H THR 432 H THR 432 -15.032 -13.166 -17.388 948 HA THR 432 HA THR 432 -13.418 -13.482 -15.092 949 HB THR 432 HB THR 432 -13.778 -15.335 -16.677 950 HG1 THR 432 HG1 THR 432 -11.119 -14.568 -16.054 951 HG21 THR 432 1HG2 THR 432 -12.509 -15.532 -18.774 952 HG22 THR 432 2HG2 THR 432 -11.860 -13.906 -18.554 953 HG23 THR 432 3HG2 THR 432 -13.587 -14.136 -18.839 954 H VAL 433 H VAL 433 -12.746 -11.745 -18.152 955 HA VAL 433 HA VAL 433 -10.119 -10.907 -17.596 956 HB VAL 433 HB VAL 433 -12.285 -9.576 -19.295 957 HG11 VAL 433 1HG1 VAL 433 -9.357 -8.761 -19.075 958 HG12 VAL 433 2HG1 VAL 433 -10.747 -7.798 -18.567 959 HG13 VAL 433 3HG1 VAL 433 -10.495 -8.145 -20.278 960 HG21 VAL 433 1HG2 VAL 433 -9.795 -11.132 -20.095 961 HG22 VAL 433 2HG2 VAL 433 -10.959 -10.413 -21.212 962 HG23 VAL 433 3HG2 VAL 433 -11.452 -11.739 -20.155 963 H ALA 434 H ALA 434 -13.284 -9.399 -16.859 964 HA ALA 434 HA ALA 434 -12.284 -6.987 -15.761 965 HB1 ALA 434 1HB ALA 434 -14.578 -6.598 -14.974 966 HB2 ALA 434 2HB ALA 434 -14.996 -8.283 -15.311 967 HB3 ALA 434 3HB ALA 434 -14.579 -7.195 -16.636 968 H ARG 435 H ARG 435 -12.894 -10.161 -14.324 969 HA ARG 435 HA ARG 435 -12.884 -9.348 -11.586 970 HB2 ARG 435 2HB ARG 435 -12.155 -12.068 -12.772 971 HB3 ARG 435 1HB ARG 435 -12.451 -11.751 -11.066 972 HG2 ARG 435 2HG ARG 435 -14.456 -11.654 -13.329 973 HG3 ARG 435 1HG ARG 435 -14.403 -12.804 -11.998 974 HD2 ARG 435 2HD ARG 435 -14.975 -11.009 -10.409 975 HD3 ARG 435 1HD ARG 435 -14.950 -9.825 -11.725 976 HE ARG 435 HE ARG 435 -16.779 -12.044 -12.099 977 HH11 ARG 435 1HH1 ARG 435 -16.445 -8.764 -10.871 978 HH12 ARG 435 2HH1 ARG 435 -18.143 -8.433 -10.953 979 HH21 ARG 435 1HH2 ARG 435 -19.004 -11.606 -12.199 980 HH22 ARG 435 2HH2 ARG 435 -19.601 -10.052 -11.708 981 H TYR 436 H TYR 436 -10.397 -10.921 -13.628 982 HA TYR 436 HA TYR 436 -8.295 -10.587 -11.707 983 HB2 TYR 436 2HB TYR 436 -8.315 -11.389 -14.638 984 HB3 TYR 436 1HB TYR 436 -6.812 -11.248 -13.725 985 HD1 TYR 436 HD1 TYR 436 -6.096 -13.006 -12.281 986 HD2 TYR 436 HD2 TYR 436 -10.090 -13.078 -13.802 987 HE1 TYR 436 HE1 TYR 436 -6.392 -15.285 -11.411 988 HE2 TYR 436 HE2 TYR 436 -10.388 -15.356 -12.935 989 HH TYR 436 HH TYR 436 -9.035 -17.276 -12.286 990 H LYS 437 H LYS 437 -9.561 -8.558 -14.217 991 HA LYS 437 HA LYS 437 -7.317 -6.816 -14.580 992 HB2 LYS 437 2HB LYS 437 -9.082 -7.005 -16.304 993 HB3 LYS 437 1HB LYS 437 -10.281 -6.385 -15.175 994 HG2 LYS 437 2HG LYS 437 -9.085 -4.207 -15.121 995 HG3 LYS 437 1HG LYS 437 -7.911 -4.844 -16.275 996 HD2 LYS 437 2HD LYS 437 -9.789 -5.182 -17.915 997 HD3 LYS 437 1HD LYS 437 -10.880 -4.405 -16.763 998 HE2 LYS 437 2HE LYS 437 -10.174 -2.781 -18.442 999 HE3 LYS 437 1HE LYS 437 -9.481 -2.345 -16.877 1000 HZ1 LYS 437 1HZ LYS 437 -7.859 -2.148 -18.653 1001 HZ2 LYS 437 2HZ LYS 437 -8.061 -3.775 -19.061 1002 HZ3 LYS 437 3HZ LYS 437 -7.393 -3.358 -17.567 1003 H ALA 438 H ALA 438 -10.348 -6.680 -12.689 1004 HA ALA 438 HA ALA 438 -9.915 -4.146 -11.518 1005 HB1 ALA 438 1HB ALA 438 -11.645 -4.802 -9.889 1006 HB2 ALA 438 2HB ALA 438 -11.553 -6.472 -10.459 1007 HB3 ALA 438 3HB ALA 438 -12.127 -5.200 -11.538 1008 H GLN 439 H GLN 439 -9.353 -7.452 -10.258 1009 HA GLN 439 HA GLN 439 -8.196 -6.808 -7.797 1010 HB2 GLN 439 2HB GLN 439 -7.719 -9.213 -9.609 1011 HB3 GLN 439 1HB GLN 439 -7.113 -9.108 -7.959 1012 HG2 GLN 439 2HG GLN 439 -10.025 -9.111 -8.801 1013 HG3 GLN 439 1HG GLN 439 -9.152 -10.448 -8.056 1014 HE21 GLN 439 1HE2 GLN 439 -10.721 -7.398 -7.501 1015 HE22 GLN 439 2HE2 GLN 439 -10.655 -7.448 -5.775 1016 H PHE 440 H PHE 440 -6.648 -7.198 -10.995 1017 HA PHE 440 HA PHE 440 -3.973 -6.831 -10.171 1018 HB2 PHE 440 2HB PHE 440 -4.512 -7.744 -12.400 1019 HB3 PHE 440 1HB PHE 440 -5.260 -6.222 -12.868 1020 HD1 PHE 440 HD1 PHE 440 -1.994 -7.731 -11.855 1021 HD2 PHE 440 HD2 PHE 440 -3.936 -4.495 -13.878 1022 HE1 PHE 440 HE1 PHE 440 0.183 -6.914 -12.658 1023 HE2 PHE 440 HE2 PHE 440 -1.756 -3.694 -14.671 1024 HZ PHE 440 HZ PHE 440 0.303 -4.891 -14.058 1025 H THR 441 H THR 441 -6.165 -4.464 -11.763 1026 HA THR 441 HA THR 441 -4.492 -2.253 -11.694 1027 HB THR 441 HB THR 441 -7.545 -2.260 -11.679 1028 HG1 THR 441 HG1 THR 441 -7.290 -3.124 -13.579 1029 HG21 THR 441 1HG2 THR 441 -5.622 -0.139 -12.703 1030 HG22 THR 441 2HG2 THR 441 -6.637 0.008 -11.265 1031 HG23 THR 441 3HG2 THR 441 -7.377 -0.099 -12.866 1032 H GLN 442 H GLN 442 -6.727 -3.414 -9.232 1033 HA GLN 442 HA GLN 442 -6.675 -1.130 -7.526 1034 HB2 GLN 442 2HB GLN 442 -7.517 -4.016 -7.069 1035 HB3 GLN 442 1HB GLN 442 -7.659 -2.776 -5.827 1036 HG2 GLN 442 2HG GLN 442 -9.262 -1.540 -7.104 1037 HG3 GLN 442 1HG GLN 442 -8.963 -2.505 -8.545 1038 HE21 GLN 442 1HE2 GLN 442 -9.008 -5.089 -7.141 1039 HE22 GLN 442 2HE2 GLN 442 -10.659 -5.368 -6.712 1040 H LEU 443 H LEU 443 -5.024 -4.323 -7.322 1041 HA LEU 443 HA LEU 443 -3.380 -3.552 -5.082 1042 HB2 LEU 443 2HB LEU 443 -3.425 -5.948 -6.927 1043 HB3 LEU 443 1HB LEU 443 -2.083 -5.720 -5.824 1044 HG LEU 443 HG LEU 443 -3.603 -5.883 -3.881 1045 HD11 LEU 443 1HD1 LEU 443 -5.845 -6.420 -5.839 1046 HD12 LEU 443 2HD1 LEU 443 -5.665 -4.976 -4.843 1047 HD13 LEU 443 3HD1 LEU 443 -5.940 -6.538 -4.078 1048 HD21 LEU 443 1HD2 LEU 443 -2.538 -7.913 -4.720 1049 HD22 LEU 443 2HD2 LEU 443 -3.895 -8.200 -5.814 1050 HD23 LEU 443 3HD2 LEU 443 -4.134 -8.277 -4.066 1051 H ASP 444 H ASP 444 -3.187 -3.002 -8.453 1052 HA ASP 444 HA ASP 444 -0.313 -2.811 -8.735 1053 HB2 ASP 444 2HB ASP 444 -1.657 -3.553 -10.658 1054 HB3 ASP 444 1HB ASP 444 -2.589 -2.063 -10.630 1055 H THR 445 H THR 445 -3.073 -0.531 -8.672 1056 HA THR 445 HA THR 445 -1.485 1.829 -8.625 1057 HB THR 445 HB THR 445 -3.894 1.926 -9.240 1058 HG1 THR 445 HG1 THR 445 -2.629 3.587 -7.496 1059 HG21 THR 445 1HG2 THR 445 -4.833 0.343 -7.591 1060 HG22 THR 445 2HG2 THR 445 -5.654 1.904 -7.529 1061 HG23 THR 445 3HG2 THR 445 -4.468 1.478 -6.293 1062 H MET 446 H MET 446 -2.724 -0.382 -6.112 1063 HA MET 446 HA MET 446 -1.819 1.031 -3.851 1064 HB2 MET 446 2HB MET 446 -3.282 -1.024 -3.747 1065 HB3 MET 446 1HB MET 446 -1.882 -2.007 -4.159 1066 HG2 MET 446 2HG MET 446 -0.755 -1.283 -2.092 1067 HG3 MET 446 1HG MET 446 -2.130 -0.248 -1.703 1068 HE1 MET 446 1HE MET 446 -2.417 -3.016 1.019 1069 HE2 MET 446 2HE MET 446 -2.339 -1.284 0.702 1070 HE3 MET 446 3HE MET 446 -0.935 -2.305 0.378 1071 H MET 447 H MET 447 -0.189 -1.262 -6.025 1072 HA MET 447 HA MET 447 2.210 -1.636 -4.627 1073 HB2 MET 447 2HB MET 447 1.523 -3.125 -6.435 1074 HB3 MET 447 1HB MET 447 1.639 -1.827 -7.614 1075 HG2 MET 447 2HG MET 447 3.560 -3.426 -7.694 1076 HG3 MET 447 1HG MET 447 4.047 -1.758 -7.402 1077 HE1 MET 447 1HE MET 447 3.856 -4.922 -4.038 1078 HE2 MET 447 2HE MET 447 3.403 -5.268 -5.705 1079 HE3 MET 447 3HE MET 447 2.418 -4.175 -4.731 1080 H SER 448 H SER 448 1.455 0.605 -7.278 1081 HA SER 448 HA SER 448 4.032 1.772 -7.432 1082 HB2 SER 448 2HB SER 448 2.725 3.578 -8.754 1083 HB3 SER 448 1HB SER 448 2.695 1.928 -9.378 1084 HG SER 448 HG SER 448 0.631 1.830 -9.030 1085 H LYS 449 H LYS 449 1.059 2.717 -5.692 1086 HA LYS 449 HA LYS 449 2.138 5.180 -4.705 1087 HB2 LYS 449 2HB LYS 449 -0.277 3.587 -3.767 1088 HB3 LYS 449 1HB LYS 449 0.171 5.171 -3.134 1089 HG2 LYS 449 2HG LYS 449 0.010 6.048 -5.523 1090 HG3 LYS 449 1HG LYS 449 -0.712 4.497 -5.953 1091 HD2 LYS 449 2HD LYS 449 -2.499 6.088 -5.585 1092 HD3 LYS 449 1HD LYS 449 -2.516 4.933 -4.249 1093 HE2 LYS 449 2HE LYS 449 -1.438 6.543 -2.775 1094 HE3 LYS 449 1HE LYS 449 -1.196 7.667 -4.115 1095 HZ1 LYS 449 1HZ LYS 449 -3.056 8.332 -2.765 1096 HZ2 LYS 449 2HZ LYS 449 -3.815 6.833 -2.995 1097 HZ3 LYS 449 3HZ LYS 449 -3.605 7.879 -4.303 1098 H LEU 450 H LEU 450 2.083 1.851 -3.433 1099 HA LEU 450 HA LEU 450 2.995 2.642 -0.826 1100 HB2 LEU 450 2HB LEU 450 3.096 0.346 -0.199 1101 HB3 LEU 450 1HB LEU 450 1.637 0.596 -1.113 1102 HG LEU 450 HG LEU 450 2.905 -0.510 -3.100 1103 HD11 LEU 450 1HD1 LEU 450 4.719 -1.492 -0.875 1104 HD12 LEU 450 2HD1 LEU 450 5.188 -0.482 -2.245 1105 HD13 LEU 450 3HD1 LEU 450 4.657 -2.137 -2.520 1106 HD21 LEU 450 1HD2 LEU 450 2.171 -2.195 -0.687 1107 HD22 LEU 450 2HD2 LEU 450 2.288 -2.766 -2.354 1108 HD23 LEU 450 3HD2 LEU 450 1.056 -1.586 -1.915 1109 H ASN 451 H ASN 451 4.493 1.877 -3.844 1110 HA ASN 451 HA ASN 451 7.176 1.558 -2.951 1111 HB2 ASN 451 2HB ASN 451 6.481 0.871 -5.215 1112 HB3 ASN 451 1HB ASN 451 6.082 2.533 -5.633 1113 HD21 ASN 451 1HD2 ASN 451 7.770 3.980 -6.115 1114 HD22 ASN 451 2HD2 ASN 451 9.389 3.450 -6.397 1115 H ASN 452 H ASN 452 5.388 4.346 -4.256 1116 HA ASN 452 HA ASN 452 7.300 6.372 -4.002 1117 HB2 ASN 452 2HB ASN 452 5.242 6.665 -5.295 1118 HB3 ASN 452 1HB ASN 452 4.256 6.469 -3.854 1119 HD21 ASN 452 1HD2 ASN 452 3.220 8.441 -4.115 1120 HD22 ASN 452 2HD2 ASN 452 4.008 9.957 -3.869 1121 H THR 453 H THR 453 4.809 5.291 -1.693 1122 HA THR 453 HA THR 453 5.243 7.231 0.285 1123 HB THR 453 HB THR 453 4.031 5.600 1.829 1124 HG1 THR 453 HG1 THR 453 3.800 3.627 1.172 1125 HG21 THR 453 1HG2 THR 453 1.847 5.766 0.689 1126 HG22 THR 453 2HG2 THR 453 2.655 6.171 -0.830 1127 HG23 THR 453 3HG2 THR 453 2.753 7.274 0.542 1128 H SER 454 H SER 454 6.244 3.741 0.331 1129 HA SER 454 HA SER 454 7.856 3.804 2.587 1130 HB2 SER 454 2HB SER 454 8.983 1.770 1.661 1131 HB3 SER 454 1HB SER 454 7.226 1.701 1.502 1132 HG SER 454 HG SER 454 7.462 2.384 -0.648 1133 H SER 455 H SER 455 8.706 4.901 -0.674 1134 HA SER 455 HA SER 455 11.480 5.157 -0.386 1135 HB2 SER 455 2HB SER 455 9.544 6.830 -2.050 1136 HB3 SER 455 1HB SER 455 11.296 6.925 -2.184 1137 HG SER 455 HG SER 455 9.990 4.448 -2.446 1138 H TYR 456 H TYR 456 8.990 7.795 0.012 1139 HA TYR 456 HA TYR 456 10.972 9.485 1.288 1140 HB2 TYR 456 2HB TYR 456 9.123 11.123 1.659 1141 HB3 TYR 456 1HB TYR 456 9.358 10.652 -0.012 1142 HD1 TYR 456 HD1 TYR 456 7.202 9.575 2.923 1143 HD2 TYR 456 HD2 TYR 456 7.405 10.403 -1.263 1144 HE1 TYR 456 HE1 TYR 456 4.782 9.250 2.732 1145 HE2 TYR 456 HE2 TYR 456 4.983 10.065 -1.446 1146 HH TYR 456 HH TYR 456 3.161 8.997 -0.275 1147 H LEU 457 H LEU 457 8.781 7.117 2.510 1148 HA LEU 457 HA LEU 457 8.548 8.012 5.208 1149 HB2 LEU 457 2HB LEU 457 8.252 5.246 3.979 1150 HB3 LEU 457 1HB LEU 457 8.006 5.541 5.692 1151 HG LEU 457 HG LEU 457 6.334 6.686 3.425 1152 HD11 LEU 457 1HD1 LEU 457 5.651 4.586 5.506 1153 HD12 LEU 457 2HD1 LEU 457 5.911 4.305 3.782 1154 HD13 LEU 457 3HD1 LEU 457 4.535 5.267 4.318 1155 HD21 LEU 457 1HD2 LEU 457 6.486 8.297 5.228 1156 HD22 LEU 457 2HD2 LEU 457 6.055 7.063 6.417 1157 HD23 LEU 457 3HD2 LEU 457 4.881 7.577 5.204 1158 H THR 458 H THR 458 10.809 5.846 3.501 1159 HA THR 458 HA THR 458 12.189 5.080 5.907 1160 HB THR 458 HB THR 458 12.008 3.626 3.807 1161 HG1 THR 458 HG1 THR 458 13.358 2.872 5.323 1162 HG21 THR 458 1HG2 THR 458 14.360 5.311 2.855 1163 HG22 THR 458 2HG2 THR 458 12.773 5.247 2.091 1164 HG23 THR 458 3HG2 THR 458 13.792 3.808 2.117 1165 H GLN 459 H GLN 459 12.715 7.478 3.319 1166 HA GLN 459 HA GLN 459 15.223 8.475 4.185 1167 HB2 GLN 459 2HB GLN 459 12.907 9.920 2.826 1168 HB3 GLN 459 1HB GLN 459 14.512 10.615 3.037 1169 HG2 GLN 459 2HG GLN 459 15.475 8.814 1.657 1170 HG3 GLN 459 1HG GLN 459 13.871 8.120 1.439 1171 HE21 GLN 459 1HE2 GLN 459 12.528 10.710 1.095 1172 HE22 GLN 459 2HE2 GLN 459 13.003 11.284 -0.458 1173 H GLN 460 H GLN 460 11.905 9.335 5.106 1174 HA GLN 460 HA GLN 460 12.445 11.316 7.027 1175 HB2 GLN 460 2HB GLN 460 10.191 10.962 6.093 1176 HB3 GLN 460 1HB GLN 460 10.113 9.367 6.826 1177 HG2 GLN 460 2HG GLN 460 8.761 10.966 8.095 1178 HG3 GLN 460 1HG GLN 460 10.104 10.388 9.079 1179 HE21 GLN 460 1HE2 GLN 460 11.742 11.835 9.643 1180 HE22 GLN 460 2HE2 GLN 460 11.595 13.539 9.441 1181 H PHE 461 H PHE 461 12.219 7.777 7.260 1182 HA PHE 461 HA PHE 461 12.358 7.544 10.074 1183 HB2 PHE 461 2HB PHE 461 11.602 5.710 8.551 1184 HB3 PHE 461 1HB PHE 461 13.246 5.534 7.955 1185 HD1 PHE 461 HD1 PHE 461 11.863 5.874 11.454 1186 HD2 PHE 461 HD2 PHE 461 14.044 3.427 8.686 1187 HE1 PHE 461 HE1 PHE 461 12.301 4.236 13.232 1188 HE2 PHE 461 HE2 PHE 461 14.474 1.803 10.484 1189 HZ PHE 461 HZ PHE 461 13.610 2.205 12.754 1190 H THR 462 H THR 462 14.827 7.634 7.538 1191 HA THR 462 HA THR 462 17.079 6.995 9.105 1192 HB THR 462 HB THR 462 16.960 8.623 6.524 1193 HG1 THR 462 HG1 THR 462 16.364 6.744 5.756 1194 HG21 THR 462 1HG2 THR 462 19.163 8.848 7.653 1195 HG22 THR 462 2HG2 THR 462 19.296 7.891 6.176 1196 HG23 THR 462 3HG2 THR 462 19.285 7.088 7.745 1197 H ALA 463 H ALA 463 15.616 10.145 8.205 1198 HA ALA 463 HA ALA 463 17.601 11.746 9.533 1199 HB1 ALA 463 1HB ALA 463 16.098 13.630 9.053 1200 HB2 ALA 463 2HB ALA 463 14.812 12.509 8.597 1201 HB3 ALA 463 3HB ALA 463 16.287 12.600 7.632 1202 H MET 464 H MET 464 14.269 10.838 10.367 1203 HA MET 464 HA MET 464 14.010 12.359 12.724 1204 HB2 MET 464 2HB MET 464 12.077 11.549 11.440 1205 HB3 MET 464 1HB MET 464 12.490 9.883 11.811 1206 HG2 MET 464 2HG MET 464 11.994 10.278 14.180 1207 HG3 MET 464 1HG MET 464 11.638 11.969 13.833 1208 HE1 MET 464 1HE MET 464 8.322 11.755 11.807 1209 HE2 MET 464 2HE MET 464 9.957 11.949 11.177 1210 HE3 MET 464 3HE MET 464 9.461 12.819 12.630 1211 H ASN 465 H ASN 465 15.211 9.086 12.157 1212 HA ASN 465 HA ASN 465 15.448 8.524 15.017 1213 HB2 ASN 465 2HB ASN 465 14.684 6.758 13.412 1214 HB3 ASN 465 1HB ASN 465 16.271 6.797 12.652 1215 HD21 ASN 465 1HD2 ASN 465 16.417 4.543 13.137 1216 HD22 ASN 465 2HD2 ASN 465 16.832 4.000 14.724 1217 H LYS 466 H LYS 466 17.782 8.604 12.207 1218 HA LYS 466 HA LYS 466 19.756 9.845 14.053 1219 HB2 LYS 466 2HB LYS 466 21.621 8.655 12.965 1220 HB3 LYS 466 1HB LYS 466 20.518 7.554 13.762 1221 HG2 LYS 466 2HG LYS 466 20.509 8.026 10.760 1222 HG3 LYS 466 1HG LYS 466 21.492 6.786 11.532 1223 HD2 LYS 466 2HD LYS 466 18.457 6.951 11.632 1224 HD3 LYS 466 1HD LYS 466 19.394 5.873 10.599 1225 HE2 LYS 466 2HE LYS 466 19.475 5.811 13.641 1226 HE3 LYS 466 1HE LYS 466 18.494 4.746 12.637 1227 HZ1 LYS 466 1HZ LYS 466 20.561 3.699 13.311 1228 HZ2 LYS 466 2HZ LYS 466 21.454 4.916 12.554 1229 HZ3 LYS 466 3HZ LYS 466 20.497 3.876 11.630 1230 H SER 467 H SER 467 18.721 11.849 13.085 1231 HA SER 467 HA SER 467 19.511 12.795 10.566 1232 HB2 SER 467 2HB SER 467 19.372 15.108 11.683 1233 HB3 SER 467 1HB SER 467 17.925 14.101 11.767 1234 HG SER 467 HG SER 467 19.365 13.511 13.900 Start of MODEL 10 1 H1 MET 1 1H MET 1 -2.189 22.206 20.712 2 H2 MET 1 2H MET 1 -0.794 22.414 21.644 3 H3 MET 1 3H MET 1 -1.410 20.864 21.378 4 HA MET 1 HA MET 1 -0.390 22.666 19.282 5 HB2 MET 1 2HB MET 1 1.554 20.990 19.179 6 HB3 MET 1 1HB MET 1 1.530 22.082 20.551 7 HG2 MET 1 2HG MET 1 0.601 20.254 21.955 8 HG3 MET 1 1HG MET 1 0.723 19.167 20.568 9 HE1 MET 1 1HE MET 1 2.264 17.442 21.999 10 HE2 MET 1 2HE MET 1 2.075 18.513 23.391 11 HE3 MET 1 3HE MET 1 3.681 17.972 22.905 12 H THR 2 H THR 2 -1.934 22.311 17.773 13 HA THR 2 HA THR 2 -3.404 19.905 17.474 14 HB THR 2 HB THR 2 -4.384 20.977 15.445 15 HG1 THR 2 HG1 THR 2 -3.115 22.320 14.418 16 HG21 THR 2 1HG2 THR 2 -5.312 21.584 17.645 17 HG22 THR 2 2HG2 THR 2 -5.365 22.962 16.542 18 HG23 THR 2 3HG2 THR 2 -4.127 22.883 17.794 19 H SER 3 H SER 3 -0.675 21.267 15.655 20 HA SER 3 HA SER 3 -0.735 19.413 13.489 21 HB2 SER 3 2HB SER 3 1.587 21.139 14.459 22 HB3 SER 3 1HB SER 3 1.412 20.419 12.854 23 HG SER 3 HG SER 3 -0.767 21.723 13.110 24 H THR 4 H THR 4 0.927 19.501 16.601 25 HA THR 4 HA THR 4 2.647 17.269 16.124 26 HB THR 4 HB THR 4 1.809 18.569 18.745 27 HG1 THR 4 HG1 THR 4 4.264 18.934 17.379 28 HG21 THR 4 1HG2 THR 4 4.172 16.744 18.164 29 HG22 THR 4 2HG2 THR 4 2.763 16.320 19.143 30 HG23 THR 4 3HG2 THR 4 3.874 17.583 19.681 31 H VAL 5 H VAL 5 -0.565 17.639 17.717 32 HA VAL 5 HA VAL 5 -0.591 14.952 18.719 33 HB VAL 5 HB VAL 5 -1.913 16.808 19.773 34 HG11 VAL 5 1HG1 VAL 5 -2.831 17.894 17.789 35 HG12 VAL 5 2HG1 VAL 5 -4.120 17.439 18.904 36 HG13 VAL 5 3HG1 VAL 5 -3.828 16.479 17.452 37 HG21 VAL 5 1HG2 VAL 5 -3.863 15.429 20.398 38 HG22 VAL 5 2HG2 VAL 5 -2.381 14.469 20.355 39 HG23 VAL 5 3HG2 VAL 5 -3.544 14.353 19.031 40 H GLU 6 H GLU 6 -1.913 16.504 15.776 41 HA GLU 6 HA GLU 6 -3.329 14.222 14.816 42 HB2 GLU 6 2HB GLU 6 -3.486 15.380 12.670 43 HB3 GLU 6 1HB GLU 6 -3.788 16.520 13.975 44 HG2 GLU 6 2HG GLU 6 -1.494 17.388 13.753 45 HG3 GLU 6 1HG GLU 6 -1.186 16.248 12.447 46 H PHE 7 H PHE 7 -0.025 15.450 14.347 47 HA PHE 7 HA PHE 7 1.073 13.610 12.590 48 HB2 PHE 7 2HB PHE 7 2.292 15.560 13.328 49 HB3 PHE 7 1HB PHE 7 2.206 15.067 15.006 50 HD1 PHE 7 HD1 PHE 7 3.930 14.509 11.779 51 HD2 PHE 7 HD2 PHE 7 3.817 13.509 15.938 52 HE1 PHE 7 HE1 PHE 7 6.193 13.556 11.636 53 HE2 PHE 7 HE2 PHE 7 6.068 12.566 15.765 54 HZ PHE 7 HZ PHE 7 7.257 12.596 13.618 55 H ILE 8 H ILE 8 0.946 13.353 16.173 56 HA ILE 8 HA ILE 8 2.119 10.843 16.543 57 HB ILE 8 HB ILE 8 -0.054 12.194 18.217 58 HG12 ILE 8 2HG1 ILE 8 2.963 12.166 18.667 59 HG13 ILE 8 1HG1 ILE 8 2.076 13.503 17.951 60 HG21 ILE 8 1HG2 ILE 8 -0.006 9.814 18.768 61 HG22 ILE 8 2HG2 ILE 8 0.686 10.744 20.097 62 HG23 ILE 8 3HG2 ILE 8 1.745 9.871 18.990 63 HD11 ILE 8 1HD1 ILE 8 2.576 13.958 20.258 64 HD12 ILE 8 2HD1 ILE 8 1.769 12.476 20.771 65 HD13 ILE 8 3HD1 ILE 8 0.833 13.791 20.051 66 H ASN 9 H ASN 9 -1.355 11.656 16.442 67 HA ASN 9 HA ASN 9 -2.418 9.121 16.910 68 HB2 ASN 9 2HB ASN 9 -3.653 11.470 15.417 69 HB3 ASN 9 1HB ASN 9 -4.565 10.059 15.954 70 HD21 ASN 9 1HD2 ASN 9 -4.746 12.927 16.656 71 HD22 ASN 9 2HD2 ASN 9 -4.666 12.968 18.382 72 H ARG 10 H ARG 10 -1.749 10.751 13.818 73 HA ARG 10 HA ARG 10 -3.000 8.676 12.262 74 HB2 ARG 10 2HB ARG 10 -1.261 11.000 11.367 75 HB3 ARG 10 1HB ARG 10 -2.179 9.939 10.293 76 HG2 ARG 10 2HG ARG 10 -4.282 10.687 11.284 77 HG3 ARG 10 1HG ARG 10 -3.406 11.676 12.458 78 HD2 ARG 10 2HD ARG 10 -3.506 12.064 9.457 79 HD3 ARG 10 1HD ARG 10 -4.226 13.099 10.696 80 HE ARG 10 HE ARG 10 -1.385 12.808 11.003 81 HH11 ARG 10 1HH1 ARG 10 -3.853 14.642 9.335 82 HH12 ARG 10 2HH1 ARG 10 -2.833 16.013 9.065 83 HH21 ARG 10 1HH2 ARG 10 -0.027 14.605 10.615 84 HH22 ARG 10 2HH2 ARG 10 -0.669 15.988 9.789 85 H TRP 11 H TRP 11 0.379 9.405 13.189 86 HA TRP 11 HA TRP 11 1.573 7.380 11.582 87 HB2 TRP 11 2HB TRP 11 2.472 8.798 14.106 88 HB3 TRP 11 1HB TRP 11 3.385 7.409 13.525 89 HD1 TRP 11 HD1 TRP 11 3.375 11.042 13.179 90 HE1 TRP 11 HE1 TRP 11 4.727 11.782 11.132 91 HE3 TRP 11 HE3 TRP 11 3.753 6.548 10.755 92 HZ2 TRP 11 HZ2 TRP 11 5.819 10.654 8.817 93 HZ3 TRP 11 HZ3 TRP 11 4.970 6.471 8.611 94 HH2 TRP 11 HH2 TRP 11 5.977 8.494 7.675 95 H GLN 12 H GLN 12 0.123 7.323 14.813 96 HA GLN 12 HA GLN 12 0.561 4.628 15.481 97 HB2 GLN 12 2HB GLN 12 -0.273 6.215 17.136 98 HB3 GLN 12 1HB GLN 12 -1.725 6.512 16.191 99 HG2 GLN 12 2HG GLN 12 -2.413 4.136 16.591 100 HG3 GLN 12 1HG GLN 12 -1.001 3.946 17.630 101 HE21 GLN 12 1HE2 GLN 12 -2.390 3.416 19.356 102 HE22 GLN 12 2HE2 GLN 12 -3.275 4.628 20.210 103 H ARG 13 H ARG 13 -2.101 6.195 13.648 104 HA ARG 13 HA ARG 13 -3.632 3.918 13.057 105 HB2 ARG 13 2HB ARG 13 -3.263 6.312 11.199 106 HB3 ARG 13 1HB ARG 13 -4.599 5.169 11.174 107 HG2 ARG 13 2HG ARG 13 -4.001 7.224 13.313 108 HG3 ARG 13 1HG ARG 13 -5.318 7.270 12.146 109 HD2 ARG 13 2HD ARG 13 -6.360 5.328 13.206 110 HD3 ARG 13 1HD ARG 13 -4.993 5.169 14.313 111 HE ARG 13 HE ARG 13 -6.905 7.431 14.295 112 HH11 ARG 13 1HH1 ARG 13 -4.683 5.346 16.047 113 HH12 ARG 13 2HH1 ARG 13 -5.023 6.066 17.589 114 HH21 ARG 13 1HH2 ARG 13 -7.356 8.366 16.335 115 HH22 ARG 13 2HH2 ARG 13 -6.539 7.779 17.748 116 H ILE 14 H ILE 14 -0.943 5.417 11.263 117 HA ILE 14 HA ILE 14 -0.968 3.866 8.946 118 HB ILE 14 HB ILE 14 1.303 5.357 10.330 119 HG12 ILE 14 2HG1 ILE 14 -0.234 6.098 7.806 120 HG13 ILE 14 1HG1 ILE 14 -0.656 6.676 9.408 121 HG21 ILE 14 1HG2 ILE 14 1.392 4.150 7.551 122 HG22 ILE 14 2HG2 ILE 14 2.346 3.635 8.943 123 HG23 ILE 14 3HG2 ILE 14 2.607 5.231 8.241 124 HD11 ILE 14 1HD1 ILE 14 0.564 8.360 8.196 125 HD12 ILE 14 2HD1 ILE 14 1.913 7.256 7.936 126 HD13 ILE 14 3HD1 ILE 14 1.520 7.804 9.568 127 H ALA 15 H ALA 15 0.730 3.329 12.022 128 HA ALA 15 HA ALA 15 2.256 1.062 11.144 129 HB1 ALA 15 1HB ALA 15 1.696 2.089 13.942 130 HB2 ALA 15 2HB ALA 15 3.030 2.586 12.903 131 HB3 ALA 15 3HB ALA 15 2.951 0.927 13.491 132 H LEU 16 H LEU 16 -0.647 1.440 13.219 133 HA LEU 16 HA LEU 16 -0.838 -1.349 13.868 134 HB2 LEU 16 2HB LEU 16 -2.923 0.846 14.191 135 HB3 LEU 16 1HB LEU 16 -2.994 -0.745 14.937 136 HG LEU 16 HG LEU 16 -0.976 1.455 15.548 137 HD11 LEU 16 1HD1 LEU 16 -3.203 0.295 17.236 138 HD12 LEU 16 2HD1 LEU 16 -3.124 1.914 16.531 139 HD13 LEU 16 3HD1 LEU 16 -1.989 1.451 17.793 140 HD21 LEU 16 1HD2 LEU 16 0.166 -0.691 15.694 141 HD22 LEU 16 2HD2 LEU 16 -1.104 -1.331 16.740 142 HD23 LEU 16 3HD2 LEU 16 -0.074 -0.012 17.302 143 H LEU 17 H LEU 17 -2.401 0.777 11.506 144 HA LEU 17 HA LEU 17 -4.252 -1.136 10.481 145 HB2 LEU 17 2HB LEU 17 -3.205 1.421 9.206 146 HB3 LEU 17 1HB LEU 17 -4.476 0.432 8.505 147 HG LEU 17 HG LEU 17 -4.631 1.946 11.143 148 HD11 LEU 17 1HD1 LEU 17 -4.743 3.427 9.215 149 HD12 LEU 17 2HD1 LEU 17 -6.305 3.339 10.025 150 HD13 LEU 17 3HD1 LEU 17 -6.047 2.462 8.513 151 HD21 LEU 17 1HD2 LEU 17 -6.991 1.252 11.230 152 HD22 LEU 17 2HD2 LEU 17 -5.896 -0.122 11.334 153 HD23 LEU 17 3HD2 LEU 17 -6.745 0.216 9.822 154 H SER 18 H SER 18 -0.928 -0.145 9.513 155 HA SER 18 HA SER 18 -0.780 -1.595 7.099 156 HB2 SER 18 2HB SER 18 1.710 -1.523 7.383 157 HB3 SER 18 1HB SER 18 0.951 0.041 7.646 158 HG SER 18 HG SER 18 1.941 -1.749 9.592 159 H GLN 19 H GLN 19 0.011 -2.534 10.434 160 HA GLN 19 HA GLN 19 0.860 -5.182 9.905 161 HB2 GLN 19 2HB GLN 19 1.258 -3.968 12.046 162 HB3 GLN 19 1HB GLN 19 -0.455 -4.085 12.431 163 HG2 GLN 19 2HG GLN 19 -0.290 -6.517 12.577 164 HG3 GLN 19 1HG GLN 19 1.391 -6.462 12.055 165 HE21 GLN 19 1HE2 GLN 19 -0.047 -4.206 14.390 166 HE22 GLN 19 2HE2 GLN 19 0.875 -4.765 15.737 167 H SER 20 H SER 20 -2.353 -3.827 10.621 168 HA SER 20 HA SER 20 -3.795 -6.244 10.847 169 HB2 SER 20 2HB SER 20 -4.771 -3.455 10.100 170 HB3 SER 20 1HB SER 20 -5.829 -4.807 10.511 171 HG SER 20 HG SER 20 -3.774 -3.972 12.265 172 H LEU 21 H LEU 21 -3.474 -4.041 8.015 173 HA LEU 21 HA LEU 21 -5.046 -5.700 6.313 174 HB2 LEU 21 2HB LEU 21 -4.385 -4.137 4.483 175 HB3 LEU 21 1HB LEU 21 -5.106 -3.365 5.875 176 HG LEU 21 HG LEU 21 -2.672 -2.785 6.592 177 HD11 LEU 21 1HD1 LEU 21 -1.444 -4.210 5.083 178 HD12 LEU 21 2HD1 LEU 21 -1.037 -2.521 4.804 179 HD13 LEU 21 3HD1 LEU 21 -2.114 -3.365 3.685 180 HD21 LEU 21 1HD2 LEU 21 -2.645 -0.736 5.248 181 HD22 LEU 21 2HD2 LEU 21 -4.252 -1.088 5.871 182 HD23 LEU 21 3HD2 LEU 21 -3.878 -1.412 4.176 183 H LEU 22 H LEU 22 -1.675 -5.600 7.131 184 HA LEU 22 HA LEU 22 -0.626 -7.127 4.989 185 HB2 LEU 22 2HB LEU 22 0.805 -5.946 6.624 186 HB3 LEU 22 1HB LEU 22 0.245 -7.015 7.901 187 HG LEU 22 HG LEU 22 1.320 -8.955 6.712 188 HD11 LEU 22 1HD1 LEU 22 1.273 -8.098 4.424 189 HD12 LEU 22 2HD1 LEU 22 2.904 -8.565 4.896 190 HD13 LEU 22 3HD1 LEU 22 2.459 -6.857 4.846 191 HD21 LEU 22 1HD2 LEU 22 3.200 -6.680 7.378 192 HD22 LEU 22 2HD2 LEU 22 3.620 -8.394 7.309 193 HD23 LEU 22 3HD2 LEU 22 2.487 -7.815 8.528 194 H GLU 23 H GLU 23 -1.967 -8.074 8.179 195 HA GLU 23 HA GLU 23 -1.887 -10.869 7.929 196 HB2 GLU 23 2HB GLU 23 -4.012 -9.170 9.312 197 HB3 GLU 23 1HB GLU 23 -3.763 -10.894 9.581 198 HG2 GLU 23 2HG GLU 23 -1.570 -10.475 10.558 199 HG3 GLU 23 1HG GLU 23 -1.691 -8.758 10.174 200 H LEU 24 H LEU 24 -4.362 -8.545 6.909 201 HA LEU 24 HA LEU 24 -6.269 -10.369 5.876 202 HB2 LEU 24 2HB LEU 24 -5.806 -7.445 5.153 203 HB3 LEU 24 1HB LEU 24 -7.271 -8.356 4.807 204 HG LEU 24 HG LEU 24 -6.241 -7.803 7.618 205 HD11 LEU 24 1HD1 LEU 24 -6.849 -5.693 6.615 206 HD12 LEU 24 2HD1 LEU 24 -8.039 -6.145 7.830 207 HD13 LEU 24 3HD1 LEU 24 -8.413 -6.333 6.115 208 HD21 LEU 24 1HD2 LEU 24 -8.463 -8.538 8.353 209 HD22 LEU 24 2HD2 LEU 24 -7.604 -9.816 7.499 210 HD23 LEU 24 3HD2 LEU 24 -8.898 -8.929 6.686 211 H ALA 25 H ALA 25 -3.424 -8.866 4.439 212 HA ALA 25 HA ALA 25 -3.976 -9.494 1.696 213 HB1 ALA 25 1HB ALA 25 -2.452 -7.656 2.348 214 HB2 ALA 25 2HB ALA 25 -1.648 -8.815 1.288 215 HB3 ALA 25 3HB ALA 25 -1.320 -8.831 3.023 216 H GLN 26 H GLN 26 -1.956 -10.997 4.244 217 HA GLN 26 HA GLN 26 -1.000 -13.117 2.536 218 HB2 GLN 26 2HB GLN 26 0.163 -13.974 4.513 219 HB3 GLN 26 1HB GLN 26 0.416 -12.241 4.344 220 HG2 GLN 26 2HG GLN 26 -1.330 -11.861 6.082 221 HG3 GLN 26 1HG GLN 26 -1.453 -13.603 6.303 222 HE21 GLN 26 1HE2 GLN 26 1.590 -11.843 5.776 223 HE22 GLN 26 2HE2 GLN 26 2.225 -12.160 7.351 224 H ARG 27 H ARG 27 -3.793 -12.700 4.543 225 HA ARG 27 HA ARG 27 -4.542 -15.522 4.465 226 HB2 ARG 27 2HB ARG 27 -6.022 -13.026 5.368 227 HB3 ARG 27 1HB ARG 27 -6.761 -14.624 5.352 228 HG2 ARG 27 2HG ARG 27 -4.976 -15.403 6.938 229 HG3 ARG 27 1HG ARG 27 -4.396 -13.735 7.029 230 HD2 ARG 27 2HD ARG 27 -5.889 -14.309 8.922 231 HD3 ARG 27 1HD ARG 27 -6.549 -13.005 7.935 232 HE ARG 27 HE ARG 27 -8.179 -14.478 7.077 233 HH11 ARG 27 1HH1 ARG 27 -6.245 -16.010 9.617 234 HH12 ARG 27 2HH1 ARG 27 -7.389 -17.285 9.885 235 HH21 ARG 27 1HH2 ARG 27 -9.631 -16.207 7.412 236 HH22 ARG 27 2HH2 ARG 27 -9.302 -17.390 8.639 237 H GLY 28 H GLY 28 -5.020 -12.596 2.606 238 HA2 GLY 28 2HA GLY 28 -5.310 -12.713 0.262 239 HA3 GLY 28 1HA GLY 28 -6.248 -14.185 0.428 240 H GLU 29 H GLU 29 -7.413 -12.089 2.768 241 HA GLU 29 HA GLU 29 -9.761 -11.363 1.311 242 HB2 GLU 29 2HB GLU 29 -8.734 -10.282 3.972 243 HB3 GLU 29 1HB GLU 29 -10.279 -9.846 3.263 244 HG2 GLU 29 2HG GLU 29 -10.857 -11.439 4.842 245 HG3 GLU 29 1HG GLU 29 -10.837 -12.360 3.344 246 H TRP 30 H TRP 30 -9.049 -10.304 -0.552 247 HA TRP 30 HA TRP 30 -7.418 -7.977 -0.563 248 HB2 TRP 30 2HB TRP 30 -9.424 -8.778 -2.717 249 HB3 TRP 30 1HB TRP 30 -8.025 -7.722 -2.907 250 HD1 TRP 30 HD1 TRP 30 -8.883 -10.908 -4.079 251 HE1 TRP 30 HE1 TRP 30 -6.910 -12.539 -4.241 252 HE3 TRP 30 HE3 TRP 30 -5.515 -8.471 -1.057 253 HZ2 TRP 30 HZ2 TRP 30 -4.300 -12.781 -3.233 254 HZ3 TRP 30 HZ3 TRP 30 -3.299 -9.481 -0.713 255 HH2 TRP 30 HH2 TRP 30 -2.707 -11.597 -1.782 256 H ASP 31 H ASP 31 -10.910 -8.514 -0.383 257 HA ASP 31 HA ASP 31 -11.880 -5.919 -0.757 258 HB2 ASP 31 2HB ASP 31 -12.983 -8.060 1.126 259 HB3 ASP 31 1HB ASP 31 -13.880 -6.662 0.535 260 H LEU 32 H LEU 32 -10.788 -7.506 2.229 261 HA LEU 32 HA LEU 32 -11.316 -5.245 3.933 262 HB2 LEU 32 2HB LEU 32 -9.770 -7.816 4.431 263 HB3 LEU 32 1HB LEU 32 -10.133 -6.625 5.668 264 HG LEU 32 HG LEU 32 -12.164 -8.309 4.154 265 HD11 LEU 32 1HD1 LEU 32 -11.332 -8.375 7.068 266 HD12 LEU 32 2HD1 LEU 32 -10.927 -9.573 5.836 267 HD13 LEU 32 3HD1 LEU 32 -12.604 -9.351 6.326 268 HD21 LEU 32 1HD2 LEU 32 -13.869 -7.303 5.627 269 HD22 LEU 32 2HD2 LEU 32 -13.116 -6.102 4.584 270 HD23 LEU 32 3HD2 LEU 32 -12.657 -6.199 6.286 271 H LEU 33 H LEU 33 -8.456 -6.608 2.351 272 HA LEU 33 HA LEU 33 -6.416 -4.982 3.360 273 HB2 LEU 33 2HB LEU 33 -5.982 -6.927 1.919 274 HB3 LEU 33 1HB LEU 33 -6.818 -6.159 0.582 275 HG LEU 33 HG LEU 33 -5.002 -4.394 0.529 276 HD11 LEU 33 1HD1 LEU 33 -4.182 -4.552 2.795 277 HD12 LEU 33 2HD1 LEU 33 -2.872 -4.854 1.659 278 HD13 LEU 33 3HD1 LEU 33 -3.621 -6.203 2.517 279 HD21 LEU 33 1HD2 LEU 33 -3.336 -5.780 -0.593 280 HD22 LEU 33 2HD2 LEU 33 -4.969 -6.263 -1.049 281 HD23 LEU 33 3HD2 LEU 33 -4.051 -7.238 0.104 282 H LEU 34 H LEU 34 -8.647 -4.453 0.649 283 HA LEU 34 HA LEU 34 -7.585 -1.899 -0.136 284 HB2 LEU 34 2HB LEU 34 -10.111 -3.377 -0.951 285 HB3 LEU 34 1HB LEU 34 -9.542 -1.903 -1.721 286 HG LEU 34 HG LEU 34 -7.980 -4.518 -1.687 287 HD11 LEU 34 1HD1 LEU 34 -8.639 -4.797 -4.031 288 HD12 LEU 34 2HD1 LEU 34 -9.693 -3.385 -3.912 289 HD13 LEU 34 3HD1 LEU 34 -10.030 -4.827 -2.950 290 HD21 LEU 34 1HD2 LEU 34 -7.517 -1.991 -3.294 291 HD22 LEU 34 2HD2 LEU 34 -6.596 -3.494 -3.419 292 HD23 LEU 34 3HD2 LEU 34 -6.546 -2.555 -1.930 293 H GLN 35 H GLN 35 -10.128 -3.009 1.992 294 HA GLN 35 HA GLN 35 -11.577 -0.593 2.331 295 HB2 GLN 35 2HB GLN 35 -12.418 -2.798 3.112 296 HB3 GLN 35 1HB GLN 35 -11.109 -2.898 4.281 297 HG2 GLN 35 2HG GLN 35 -13.140 -2.273 5.427 298 HG3 GLN 35 1HG GLN 35 -12.034 -0.902 5.448 299 HE21 GLN 35 1HE2 GLN 35 -14.067 -1.867 2.683 300 HE22 GLN 35 2HE2 GLN 35 -15.063 -0.457 2.720 301 H GLN 36 H GLN 36 -8.676 -1.948 3.835 302 HA GLN 36 HA GLN 36 -8.310 0.307 5.640 303 HB2 GLN 36 2HB GLN 36 -6.605 -2.173 5.181 304 HB3 GLN 36 1HB GLN 36 -6.315 -0.967 6.432 305 HG2 GLN 36 2HG GLN 36 -8.733 -2.783 6.210 306 HG3 GLN 36 1HG GLN 36 -7.416 -2.923 7.373 307 HE21 GLN 36 1HE2 GLN 36 -10.316 -2.566 7.785 308 HE22 GLN 36 2HE2 GLN 36 -10.486 -1.162 8.775 309 H GLU 37 H GLU 37 -7.271 -0.646 2.479 310 HA GLU 37 HA GLU 37 -4.825 0.528 2.029 311 HB2 GLU 37 2HB GLU 37 -6.018 -0.651 0.244 312 HB3 GLU 37 1HB GLU 37 -7.299 0.556 0.248 313 HG2 GLU 37 2HG GLU 37 -5.518 2.257 -0.482 314 HG3 GLU 37 1HG GLU 37 -4.452 0.879 -0.750 315 H VAL 38 H VAL 38 -7.981 2.118 1.568 316 HA VAL 38 HA VAL 38 -7.013 4.642 0.867 317 HB VAL 38 HB VAL 38 -9.352 5.472 1.319 318 HG11 VAL 38 1HG1 VAL 38 -10.442 4.105 -0.436 319 HG12 VAL 38 2HG1 VAL 38 -9.176 2.885 -0.275 320 HG13 VAL 38 3HG1 VAL 38 -8.772 4.499 -0.861 321 HG21 VAL 38 1HG2 VAL 38 -11.115 3.873 1.983 322 HG22 VAL 38 2HG2 VAL 38 -9.914 4.056 3.263 323 HG23 VAL 38 3HG2 VAL 38 -9.894 2.619 2.239 324 H SER 39 H SER 39 -8.020 3.372 4.034 325 HA SER 39 HA SER 39 -7.842 5.713 5.574 326 HB2 SER 39 2HB SER 39 -7.246 2.861 6.498 327 HB3 SER 39 1HB SER 39 -7.845 4.201 7.487 328 HG SER 39 HG SER 39 -9.345 2.471 6.460 329 H TYR 40 H TYR 40 -5.498 3.235 4.774 330 HA TYR 40 HA TYR 40 -3.413 3.985 6.553 331 HB2 TYR 40 2HB TYR 40 -3.695 1.693 5.894 332 HB3 TYR 40 1HB TYR 40 -3.668 2.097 4.185 333 HD1 TYR 40 HD1 TYR 40 -1.352 2.733 7.087 334 HD2 TYR 40 HD2 TYR 40 -1.817 1.177 3.131 335 HE1 TYR 40 HE1 TYR 40 1.012 2.100 7.052 336 HE2 TYR 40 HE2 TYR 40 0.552 0.549 3.097 337 HH TYR 40 HH TYR 40 2.672 1.346 4.321 338 H LEU 41 H LEU 41 -3.528 4.016 2.966 339 HA LEU 41 HA LEU 41 -1.143 5.404 2.528 340 HB2 LEU 41 2HB LEU 41 -3.596 5.166 0.739 341 HB3 LEU 41 1HB LEU 41 -2.054 5.814 0.199 342 HG LEU 41 HG LEU 41 -2.545 2.951 1.131 343 HD11 LEU 41 1HD1 LEU 41 -2.014 4.023 -1.656 344 HD12 LEU 41 2HD1 LEU 41 -3.549 3.391 -1.054 345 HD13 LEU 41 3HD1 LEU 41 -2.157 2.321 -1.206 346 HD21 LEU 41 1HD2 LEU 41 0.003 4.222 0.065 347 HD22 LEU 41 2HD2 LEU 41 -0.238 2.503 0.391 348 HD23 LEU 41 3HD2 LEU 41 -0.280 3.660 1.717 349 H GLN 42 H GLN 42 -4.501 6.614 2.860 350 HA GLN 42 HA GLN 42 -3.997 9.324 2.233 351 HB2 GLN 42 2HB GLN 42 -6.255 8.337 2.352 352 HB3 GLN 42 1HB GLN 42 -6.099 8.166 4.094 353 HG2 GLN 42 2HG GLN 42 -6.007 10.621 4.324 354 HG3 GLN 42 1HG GLN 42 -6.150 10.789 2.576 355 HE21 GLN 42 1HE2 GLN 42 -8.146 8.624 2.316 356 HE22 GLN 42 2HE2 GLN 42 -9.608 9.271 2.966 357 H SER 43 H SER 43 -3.867 7.582 5.368 358 HA SER 43 HA SER 43 -3.342 9.785 7.035 359 HB2 SER 43 2HB SER 43 -2.503 6.880 7.351 360 HB3 SER 43 1HB SER 43 -2.377 8.097 8.623 361 HG SER 43 HG SER 43 -4.534 6.680 7.819 362 H ILE 44 H ILE 44 -1.110 7.692 5.195 363 HA ILE 44 HA ILE 44 1.341 8.863 6.040 364 HB ILE 44 HB ILE 44 0.756 7.566 3.332 365 HG12 ILE 44 2HG1 ILE 44 1.807 6.240 5.878 366 HG13 ILE 44 1HG1 ILE 44 0.175 6.064 5.251 367 HG21 ILE 44 1HG2 ILE 44 2.858 8.827 3.308 368 HG22 ILE 44 2HG2 ILE 44 3.199 7.098 3.278 369 HG23 ILE 44 3HG2 ILE 44 3.399 8.007 4.775 370 HD11 ILE 44 1HD1 ILE 44 1.503 4.121 4.733 371 HD12 ILE 44 2HD1 ILE 44 2.702 5.108 3.900 372 HD13 ILE 44 3HD1 ILE 44 1.069 4.962 3.246 373 H GLU 45 H GLU 45 -0.828 9.533 3.323 374 HA GLU 45 HA GLU 45 0.591 11.515 1.970 375 HB2 GLU 45 2HB GLU 45 -2.392 10.974 2.186 376 HB3 GLU 45 1HB GLU 45 -1.752 12.245 1.153 377 HG2 GLU 45 2HG GLU 45 -0.555 10.611 -0.199 378 HG3 GLU 45 1HG GLU 45 -1.021 9.313 0.899 379 H THR 46 H THR 46 -1.739 11.840 4.679 380 HA THR 46 HA THR 46 -1.773 14.723 4.487 381 HB THR 46 HB THR 46 -3.845 13.655 5.120 382 HG1 THR 46 HG1 THR 46 -3.543 15.701 6.018 383 HG21 THR 46 1HG2 THR 46 -4.167 12.530 7.297 384 HG22 THR 46 2HG2 THR 46 -2.434 12.653 7.620 385 HG23 THR 46 3HG2 THR 46 -3.019 11.659 6.284 386 H VAL 47 H VAL 47 -0.062 12.373 6.604 387 HA VAL 47 HA VAL 47 0.970 14.382 8.371 388 HB VAL 47 HB VAL 47 2.718 12.784 9.078 389 HG11 VAL 47 1HG1 VAL 47 -0.008 11.468 8.864 390 HG12 VAL 47 2HG1 VAL 47 0.491 12.626 10.099 391 HG13 VAL 47 3HG1 VAL 47 1.263 11.041 10.015 392 HG21 VAL 47 1HG2 VAL 47 3.251 11.715 6.941 393 HG22 VAL 47 2HG2 VAL 47 1.667 10.941 6.909 394 HG23 VAL 47 3HG2 VAL 47 2.841 10.494 8.151 395 H MET 48 H MET 48 1.984 13.172 5.192 396 HA MET 48 HA MET 48 4.425 14.751 5.142 397 HB2 MET 48 2HB MET 48 2.999 13.120 3.018 398 HB3 MET 48 1HB MET 48 4.496 14.002 2.709 399 HG2 MET 48 2HG MET 48 4.129 11.790 4.744 400 HG3 MET 48 1HG MET 48 4.970 11.665 3.197 401 HE1 MET 48 1HE MET 48 7.094 10.649 4.578 402 HE2 MET 48 2HE MET 48 6.254 10.876 6.114 403 HE3 MET 48 3HE MET 48 7.885 11.511 5.899 404 H GLU 49 H GLU 49 1.097 15.267 4.113 405 HA GLU 49 HA GLU 49 1.589 17.659 2.591 406 HB2 GLU 49 2HB GLU 49 -0.935 16.546 3.891 407 HB3 GLU 49 1HB GLU 49 -0.926 18.077 3.016 408 HG2 GLU 49 2HG GLU 49 -0.280 16.970 0.958 409 HG3 GLU 49 1HG GLU 49 -0.087 15.433 1.791 410 H LYS 50 H LYS 50 1.054 16.928 5.974 411 HA LYS 50 HA LYS 50 1.426 19.703 6.815 412 HB2 LYS 50 2HB LYS 50 0.681 17.122 8.187 413 HB3 LYS 50 1HB LYS 50 1.578 18.282 9.162 414 HG2 LYS 50 2HG LYS 50 -0.776 18.612 9.537 415 HG3 LYS 50 1HG LYS 50 -0.126 20.005 8.675 416 HD2 LYS 50 2HD LYS 50 -1.046 18.966 6.529 417 HD3 LYS 50 1HD LYS 50 -1.852 17.768 7.546 418 HE2 LYS 50 2HE LYS 50 -2.308 20.772 7.582 419 HE3 LYS 50 1HE LYS 50 -3.419 19.551 6.968 420 HZ1 LYS 50 1HZ LYS 50 -4.105 20.281 9.136 421 HZ2 LYS 50 2HZ LYS 50 -2.592 19.914 9.797 422 HZ3 LYS 50 3HZ LYS 50 -3.587 18.673 9.240 423 H GLN 51 H GLN 51 3.449 17.838 5.362 424 HA GLN 51 HA GLN 51 5.644 17.640 5.088 425 HB2 GLN 51 2HB GLN 51 6.963 19.703 5.337 426 HB3 GLN 51 1HB GLN 51 5.364 20.044 4.693 427 HG2 GLN 51 2HG GLN 51 4.649 20.821 6.932 428 HG3 GLN 51 1HG GLN 51 6.267 20.487 7.542 429 HE21 GLN 51 1HE2 GLN 51 6.467 22.665 8.190 430 HE22 GLN 51 2HE2 GLN 51 6.745 23.932 7.051 431 H THR 52 H THR 52 4.718 16.629 7.822 432 HA THR 52 HA THR 52 5.443 15.989 9.866 433 HB THR 52 HB THR 52 8.145 15.943 8.455 434 HG1 THR 52 HG1 THR 52 6.797 14.472 7.529 435 HG21 THR 52 1HG2 THR 52 7.399 14.654 11.113 436 HG22 THR 52 2HG2 THR 52 8.523 15.997 10.908 437 HG23 THR 52 3HG2 THR 52 8.918 14.403 10.255 438 HA PRO 53 HA PRO 53 6.174 20.366 11.242 439 HB2 PRO 53 2HB PRO 53 5.167 19.879 13.841 440 HB3 PRO 53 1HB PRO 53 4.195 20.401 12.451 441 HG2 PRO 53 2HG PRO 53 4.574 17.629 13.539 442 HG3 PRO 53 1HG PRO 53 3.097 18.414 12.930 443 HD2 PRO 53 2HD PRO 53 4.430 16.662 11.400 444 HD3 PRO 53 1HD PRO 53 3.696 18.115 10.682 445 HA PRO 54 HA PRO 54 10.140 19.367 13.204 446 HB2 PRO 54 2HB PRO 54 10.500 22.279 13.691 447 HB3 PRO 54 1HB PRO 54 11.408 21.202 12.607 448 HG2 PRO 54 2HG PRO 54 9.760 23.092 11.631 449 HG3 PRO 54 1HG PRO 54 9.946 21.512 10.833 450 HD2 PRO 54 2HD PRO 54 7.745 22.417 12.702 451 HD3 PRO 54 1HD PRO 54 7.615 21.592 11.127 452 H GLY 55 H GLY 55 7.511 20.839 14.822 453 HA2 GLY 55 2HA GLY 55 8.757 21.152 17.429 454 HA3 GLY 55 1HA GLY 55 7.057 21.358 17.035 455 H ILE 56 H ILE 56 9.430 18.694 16.947 456 HA ILE 56 HA ILE 56 7.532 16.874 18.320 457 HB ILE 56 HB ILE 56 9.524 16.176 16.108 458 HG12 ILE 56 2HG1 ILE 56 7.635 17.312 15.104 459 HG13 ILE 56 1HG1 ILE 56 7.499 15.602 14.727 460 HG21 ILE 56 1HG2 ILE 56 7.572 14.351 17.551 461 HG22 ILE 56 2HG2 ILE 56 9.330 14.327 17.697 462 HG23 ILE 56 3HG2 ILE 56 8.567 13.895 16.166 463 HD11 ILE 56 1HD1 ILE 56 5.904 17.164 16.742 464 HD12 ILE 56 2HD1 ILE 56 5.808 15.412 16.542 465 HD13 ILE 56 3HD1 ILE 56 5.350 16.480 15.214 466 H THR 57 H THR 57 8.344 16.460 20.305 467 HA THR 57 HA THR 57 11.119 16.795 21.016 468 HB THR 57 HB THR 57 9.237 17.258 22.616 469 HG1 THR 57 HG1 THR 57 11.105 16.984 23.676 470 HG21 THR 57 1HG2 THR 57 8.948 14.233 22.771 471 HG22 THR 57 2HG2 THR 57 7.767 15.334 22.065 472 HG23 THR 57 3HG2 THR 57 8.114 15.410 23.792 473 H ARG 58 H ARG 58 12.113 14.867 22.404 474 HA ARG 58 HA ARG 58 12.729 12.838 20.504 475 HB2 ARG 58 2HB ARG 58 14.348 11.994 22.049 476 HB3 ARG 58 1HB ARG 58 14.364 13.737 22.246 477 HG2 ARG 58 2HG ARG 58 12.952 11.804 24.117 478 HG3 ARG 58 1HG ARG 58 14.570 12.449 24.387 479 HD2 ARG 58 2HD ARG 58 13.661 14.723 24.548 480 HD3 ARG 58 1HD ARG 58 12.040 14.122 24.175 481 HE ARG 58 HE ARG 58 13.322 12.962 26.514 482 HH11 ARG 58 1HH1 ARG 58 11.109 15.445 25.342 483 HH12 ARG 58 2HH1 ARG 58 10.359 15.663 26.892 484 HH21 ARG 58 1HH2 ARG 58 12.314 13.284 28.534 485 HH22 ARG 58 2HH2 ARG 58 11.038 14.451 28.679 486 H SER 59 H SER 59 10.489 12.972 23.190 487 HA SER 59 HA SER 59 10.063 10.178 23.553 488 HB2 SER 59 2HB SER 59 8.193 12.497 24.217 489 HB3 SER 59 1HB SER 59 8.176 10.891 24.951 490 HG SER 59 HG SER 59 9.938 11.368 26.089 491 H ILE 60 H ILE 60 8.296 12.703 21.789 492 HA ILE 60 HA ILE 60 6.280 11.055 20.656 493 HB ILE 60 HB ILE 60 7.292 13.819 19.841 494 HG12 ILE 60 2HG1 ILE 60 4.795 13.014 21.412 495 HG13 ILE 60 1HG1 ILE 60 6.277 13.627 22.134 496 HG21 ILE 60 1HG2 ILE 60 5.178 14.068 18.551 497 HG22 ILE 60 2HG2 ILE 60 4.791 12.378 18.881 498 HG23 ILE 60 3HG2 ILE 60 6.201 12.782 17.901 499 HD11 ILE 60 1HD1 ILE 60 4.439 15.134 20.289 500 HD12 ILE 60 2HD1 ILE 60 5.952 15.754 20.955 501 HD13 ILE 60 3HD1 ILE 60 4.614 15.349 22.029 502 H GLN 61 H GLN 61 9.431 12.217 19.562 503 HA GLN 61 HA GLN 61 9.503 11.204 16.956 504 HB2 GLN 61 2HB GLN 61 11.169 12.790 17.722 505 HB3 GLN 61 1HB GLN 61 11.720 11.688 18.979 506 HG2 GLN 61 2HG GLN 61 12.527 10.128 17.185 507 HG3 GLN 61 1HG GLN 61 12.073 11.338 15.985 508 HE21 GLN 61 1HE2 GLN 61 13.251 13.278 15.878 509 HE22 GLN 61 2HE2 GLN 61 14.816 13.425 16.594 510 H ASP 62 H ASP 62 10.313 9.679 20.076 511 HA ASP 62 HA ASP 62 11.433 7.278 19.114 512 HB2 ASP 62 2HB ASP 62 11.679 7.959 21.468 513 HB3 ASP 62 1HB ASP 62 9.945 7.818 21.728 514 H MET 63 H MET 63 8.105 8.067 20.146 515 HA MET 63 HA MET 63 6.844 5.615 19.691 516 HB2 MET 63 2HB MET 63 5.621 8.376 19.294 517 HB3 MET 63 1HB MET 63 4.721 6.879 19.503 518 HG2 MET 63 2HG MET 63 5.745 6.672 21.784 519 HG3 MET 63 1HG MET 63 6.435 8.281 21.557 520 HE1 MET 63 1HE MET 63 3.882 9.548 19.797 521 HE2 MET 63 2HE MET 63 4.788 10.460 21.007 522 HE3 MET 63 3HE MET 63 3.033 10.364 21.109 523 H VAL 64 H VAL 64 7.183 8.391 17.467 524 HA VAL 64 HA VAL 64 5.722 7.064 15.383 525 HB VAL 64 HB VAL 64 6.051 9.035 14.010 526 HG11 VAL 64 1HG1 VAL 64 4.895 10.667 15.429 527 HG12 VAL 64 2HG1 VAL 64 5.385 9.794 16.880 528 HG13 VAL 64 3HG1 VAL 64 4.278 9.043 15.728 529 HG21 VAL 64 1HG2 VAL 64 7.904 10.086 16.179 530 HG22 VAL 64 2HG2 VAL 64 7.362 10.977 14.752 531 HG23 VAL 64 3HG2 VAL 64 8.392 9.558 14.567 532 H ALA 65 H ALA 65 9.153 7.435 16.090 533 HA ALA 65 HA ALA 65 10.141 6.617 13.542 534 HB1 ALA 65 1HB ALA 65 11.618 7.691 15.202 535 HB2 ALA 65 2HB ALA 65 12.259 6.124 14.700 536 HB3 ALA 65 3HB ALA 65 11.454 6.291 16.264 537 H GLY 66 H GLY 66 9.136 4.908 16.478 538 HA2 GLY 66 2HA GLY 66 9.580 2.248 15.600 539 HA3 GLY 66 1HA GLY 66 8.435 2.756 16.833 540 H TYR 67 H TYR 67 6.849 4.495 15.182 541 HA TYR 67 HA TYR 67 5.051 2.633 13.990 542 HB2 TYR 67 2HB TYR 67 5.098 5.678 13.856 543 HB3 TYR 67 1HB TYR 67 3.783 4.685 13.236 544 HD1 TYR 67 HD1 TYR 67 3.901 6.898 15.567 545 HD2 TYR 67 HD2 TYR 67 3.687 2.628 15.530 546 HE1 TYR 67 HE1 TYR 67 2.827 6.937 17.771 547 HE2 TYR 67 HE2 TYR 67 2.597 2.672 17.733 548 HH TYR 67 HH TYR 67 1.322 5.478 19.126 549 H ILE 68 H ILE 68 7.512 4.820 12.649 550 HA ILE 68 HA ILE 68 6.835 4.394 9.893 551 HB ILE 68 HB ILE 68 9.547 5.347 10.952 552 HG12 ILE 68 2HG1 ILE 68 7.231 7.102 10.029 553 HG13 ILE 68 1HG1 ILE 68 7.622 6.815 11.708 554 HG21 ILE 68 1HG2 ILE 68 8.246 5.660 8.210 555 HG22 ILE 68 2HG2 ILE 68 9.600 4.598 8.601 556 HG23 ILE 68 3HG2 ILE 68 9.803 6.346 8.687 557 HD11 ILE 68 1HD1 ILE 68 9.414 8.179 9.706 558 HD12 ILE 68 2HD1 ILE 68 9.788 7.895 11.409 559 HD13 ILE 68 3HD1 ILE 68 8.457 8.962 10.965 560 H LYS 69 H LYS 69 9.142 2.983 12.188 561 HA LYS 69 HA LYS 69 10.519 1.178 10.574 562 HB2 LYS 69 2HB LYS 69 11.109 1.611 12.922 563 HB3 LYS 69 1HB LYS 69 9.592 0.902 13.461 564 HG2 LYS 69 2HG LYS 69 10.404 -1.298 12.410 565 HG3 LYS 69 1HG LYS 69 11.978 -0.518 12.243 566 HD2 LYS 69 2HD LYS 69 11.909 -1.882 14.281 567 HD3 LYS 69 1HD LYS 69 12.066 -0.175 14.703 568 HE2 LYS 69 2HE LYS 69 9.682 -0.062 15.263 569 HE3 LYS 69 1HE LYS 69 9.449 -1.721 14.705 570 HZ1 LYS 69 1HZ LYS 69 9.617 -1.571 17.125 571 HZ2 LYS 69 2HZ LYS 69 11.169 -0.923 16.988 572 HZ3 LYS 69 3HZ LYS 69 10.873 -2.505 16.479 573 H GLN 70 H GLN 70 7.434 0.742 12.325 574 HA GLN 70 HA GLN 70 6.881 -1.914 11.588 575 HB2 GLN 70 2HB GLN 70 4.994 0.334 12.385 576 HB3 GLN 70 1HB GLN 70 4.467 -1.328 12.149 577 HG2 GLN 70 2HG GLN 70 6.006 -2.035 13.971 578 HG3 GLN 70 1HG GLN 70 6.423 -0.344 14.245 579 HE21 GLN 70 1HE2 GLN 70 3.158 -1.512 13.457 580 HE22 GLN 70 2HE2 GLN 70 2.467 -1.116 14.989 581 H THR 71 H THR 71 5.778 1.181 10.145 582 HA THR 71 HA THR 71 4.065 0.001 8.242 583 HB THR 71 HB THR 71 3.903 2.404 8.980 584 HG1 THR 71 HG1 THR 71 3.562 1.390 6.496 585 HG21 THR 71 1HG2 THR 71 6.265 3.108 8.724 586 HG22 THR 71 2HG2 THR 71 5.163 4.148 7.822 587 HG23 THR 71 3HG2 THR 71 6.121 2.928 6.980 588 H LEU 72 H LEU 72 7.496 0.984 8.055 589 HA LEU 72 HA LEU 72 7.893 0.585 5.285 590 HB2 LEU 72 2HB LEU 72 9.825 0.494 7.632 591 HB3 LEU 72 1HB LEU 72 10.364 0.333 5.968 592 HG LEU 72 HG LEU 72 8.910 2.773 7.064 593 HD11 LEU 72 1HD1 LEU 72 11.120 2.543 8.100 594 HD12 LEU 72 2HD1 LEU 72 11.060 3.921 7.005 595 HD13 LEU 72 3HD1 LEU 72 11.871 2.435 6.504 596 HD21 LEU 72 1HD2 LEU 72 10.269 2.302 4.391 597 HD22 LEU 72 2HD2 LEU 72 9.612 3.839 4.955 598 HD23 LEU 72 3HD2 LEU 72 8.533 2.475 4.677 599 H ASP 73 H ASP 73 8.249 -1.597 8.071 600 HA ASP 73 HA ASP 73 9.292 -3.862 6.741 601 HB2 ASP 73 2HB ASP 73 9.370 -3.729 9.183 602 HB3 ASP 73 1HB ASP 73 7.618 -3.603 9.285 603 H ASN 74 H ASN 74 5.927 -3.074 7.675 604 HA ASN 74 HA ASN 74 4.764 -5.433 6.612 605 HB2 ASN 74 2HB ASN 74 3.405 -2.785 7.264 606 HB3 ASN 74 1HB ASN 74 2.598 -4.339 7.079 607 HD21 ASN 74 1HD2 ASN 74 4.838 -5.719 8.609 608 HD22 ASN 74 2HD2 ASN 74 4.523 -5.312 10.252 609 H GLU 75 H GLU 75 5.207 -2.195 5.305 610 HA GLU 75 HA GLU 75 3.514 -2.544 3.003 611 HB2 GLU 75 2HB GLU 75 3.787 -0.390 4.150 612 HB3 GLU 75 1HB GLU 75 5.499 -0.374 3.760 613 HG2 GLU 75 2HG GLU 75 5.057 0.002 1.442 614 HG3 GLU 75 1HG GLU 75 3.337 -0.329 1.650 615 H GLN 76 H GLN 76 6.949 -2.874 3.680 616 HA GLN 76 HA GLN 76 7.876 -3.320 1.027 617 HB2 GLN 76 2HB GLN 76 9.431 -2.934 2.886 618 HB3 GLN 76 1HB GLN 76 8.875 -4.388 3.705 619 HG2 GLN 76 2HG GLN 76 9.814 -5.757 1.867 620 HG3 GLN 76 1HG GLN 76 10.390 -4.292 1.077 621 HE21 GLN 76 1HE2 GLN 76 10.505 -4.868 4.574 622 HE22 GLN 76 2HE2 GLN 76 12.225 -4.965 4.663 623 H LEU 77 H LEU 77 6.510 -5.435 3.540 624 HA LEU 77 HA LEU 77 6.696 -7.880 2.087 625 HB2 LEU 77 2HB LEU 77 4.897 -7.093 4.403 626 HB3 LEU 77 1HB LEU 77 5.041 -8.732 3.785 627 HG LEU 77 HG LEU 77 7.296 -7.127 5.056 628 HD11 LEU 77 1HD1 LEU 77 5.606 -7.789 6.697 629 HD12 LEU 77 2HD1 LEU 77 7.117 -8.659 6.939 630 HD13 LEU 77 3HD1 LEU 77 5.745 -9.474 6.181 631 HD21 LEU 77 1HD2 LEU 77 7.281 -10.005 4.092 632 HD22 LEU 77 2HD2 LEU 77 8.590 -9.213 4.974 633 HD23 LEU 77 3HD2 LEU 77 8.160 -8.658 3.360 634 H LEU 78 H LEU 78 4.215 -5.345 2.265 635 HA LEU 78 HA LEU 78 2.187 -6.614 0.736 636 HB2 LEU 78 2HB LEU 78 2.888 -3.658 0.942 637 HB3 LEU 78 1HB LEU 78 1.427 -4.273 0.181 638 HG LEU 78 HG LEU 78 2.113 -4.595 3.124 639 HD11 LEU 78 1HD1 LEU 78 0.470 -2.885 3.560 640 HD12 LEU 78 2HD1 LEU 78 0.113 -2.714 1.840 641 HD13 LEU 78 3HD1 LEU 78 1.696 -2.243 2.470 642 HD21 LEU 78 1HD2 LEU 78 -0.437 -5.274 1.611 643 HD22 LEU 78 2HD2 LEU 78 -0.220 -5.362 3.362 644 HD23 LEU 78 3HD2 LEU 78 0.706 -6.428 2.309 645 H LYS 79 H LYS 79 4.918 -4.523 -0.154 646 HA LYS 79 HA LYS 79 4.513 -4.247 -2.879 647 HB2 LYS 79 2HB LYS 79 6.209 -2.959 -1.701 648 HB3 LYS 79 1HB LYS 79 7.096 -4.423 -1.288 649 HG2 LYS 79 2HG LYS 79 7.651 -4.786 -3.656 650 HG3 LYS 79 1HG LYS 79 6.732 -3.346 -4.108 651 HD2 LYS 79 2HD LYS 79 8.298 -1.904 -2.928 652 HD3 LYS 79 1HD LYS 79 9.140 -3.302 -2.245 653 HE2 LYS 79 2HE LYS 79 10.402 -2.325 -4.127 654 HE3 LYS 79 1HE LYS 79 9.885 -3.971 -4.488 655 HZ1 LYS 79 1HZ LYS 79 9.573 -2.455 -6.360 656 HZ2 LYS 79 2HZ LYS 79 8.518 -1.511 -5.437 657 HZ3 LYS 79 3HZ LYS 79 8.100 -3.100 -5.834 658 H GLY 80 H GLY 80 6.433 -6.763 -1.186 659 HA2 GLY 80 2HA GLY 80 7.133 -8.282 -3.482 660 HA3 GLY 80 1HA GLY 80 7.204 -8.826 -1.818 661 H LEU 81 H LEU 81 4.591 -8.781 -1.037 662 HA LEU 81 HA LEU 81 3.629 -11.280 -1.888 663 HB2 LEU 81 2HB LEU 81 3.265 -10.064 0.331 664 HB3 LEU 81 1HB LEU 81 2.043 -9.098 -0.463 665 HG LEU 81 HG LEU 81 1.824 -12.133 -0.204 666 HD11 LEU 81 1HD1 LEU 81 0.366 -11.776 1.731 667 HD12 LEU 81 2HD1 LEU 81 0.695 -10.042 1.684 668 HD13 LEU 81 3HD1 LEU 81 1.996 -11.182 2.041 669 HD21 LEU 81 1HD2 LEU 81 -0.308 -10.030 -0.749 670 HD22 LEU 81 2HD2 LEU 81 -0.605 -11.758 -0.527 671 HD23 LEU 81 3HD2 LEU 81 0.329 -11.196 -1.910 672 H LEU 82 H LEU 82 2.277 -8.027 -2.434 673 HA LEU 82 HA LEU 82 0.197 -8.866 -4.167 674 HB2 LEU 82 2HB LEU 82 1.351 -6.066 -3.868 675 HB3 LEU 82 1HB LEU 82 -0.209 -6.473 -4.570 676 HG LEU 82 HG LEU 82 0.589 -6.758 -1.644 677 HD11 LEU 82 1HD1 LEU 82 -1.100 -5.029 -1.225 678 HD12 LEU 82 2HD1 LEU 82 -1.388 -4.875 -2.962 679 HD13 LEU 82 3HD1 LEU 82 0.186 -4.448 -2.282 680 HD21 LEU 82 1HD2 LEU 82 -1.718 -7.453 -1.206 681 HD22 LEU 82 2HD2 LEU 82 -0.888 -8.601 -2.251 682 HD23 LEU 82 3HD2 LEU 82 -2.058 -7.472 -2.938 683 H GLN 83 H GLN 83 3.575 -7.909 -4.717 684 HA GLN 83 HA GLN 83 3.497 -7.485 -7.504 685 HB2 GLN 83 2HB GLN 83 5.502 -7.007 -6.123 686 HB3 GLN 83 1HB GLN 83 5.737 -8.727 -5.851 687 HG2 GLN 83 2HG GLN 83 6.089 -8.996 -8.329 688 HG3 GLN 83 1HG GLN 83 6.008 -7.243 -8.480 689 HE21 GLN 83 1HE2 GLN 83 7.580 -8.969 -5.803 690 HE22 GLN 83 2HE2 GLN 83 9.180 -8.469 -6.210 691 H GLN 84 H GLN 84 3.937 -10.457 -5.603 692 HA GLN 84 HA GLN 84 4.216 -12.333 -7.678 693 HB2 GLN 84 2HB GLN 84 2.840 -12.754 -4.989 694 HB3 GLN 84 1HB GLN 84 3.496 -14.019 -6.026 695 HG2 GLN 84 2HG GLN 84 5.755 -13.274 -5.618 696 HG3 GLN 84 1HG GLN 84 5.183 -11.840 -4.771 697 HE21 GLN 84 1HE2 GLN 84 3.856 -15.107 -4.330 698 HE22 GLN 84 2HE2 GLN 84 4.389 -15.270 -2.696 699 H ARG 85 H ARG 85 1.334 -11.212 -5.929 700 HA ARG 85 HA ARG 85 -0.611 -12.772 -7.221 701 HB2 ARG 85 2HB ARG 85 -0.914 -10.042 -5.908 702 HB3 ARG 85 1HB ARG 85 -2.241 -11.135 -6.281 703 HG2 ARG 85 2HG ARG 85 0.023 -11.880 -4.415 704 HG3 ARG 85 1HG ARG 85 -1.447 -11.077 -3.865 705 HD2 ARG 85 2HD ARG 85 -1.835 -13.334 -3.420 706 HD3 ARG 85 1HD ARG 85 -2.717 -13.055 -4.912 707 HE ARG 85 HE ARG 85 -0.671 -14.132 -6.021 708 HH11 ARG 85 1HH1 ARG 85 -1.762 -15.006 -2.763 709 HH12 ARG 85 2HH1 ARG 85 -1.133 -16.619 -2.856 710 HH21 ARG 85 1HH2 ARG 85 0.037 -16.318 -6.137 711 HH22 ARG 85 2HH2 ARG 85 -0.119 -17.356 -4.757 712 H LEU 86 H LEU 86 0.568 -9.487 -7.992 713 HA LEU 86 HA LEU 86 -1.325 -8.983 -10.085 714 HB2 LEU 86 2HB LEU 86 1.260 -7.538 -9.373 715 HB3 LEU 86 1HB LEU 86 0.148 -6.997 -10.624 716 HG LEU 86 HG LEU 86 -0.424 -7.133 -7.641 717 HD11 LEU 86 1HD1 LEU 86 1.011 -5.263 -8.307 718 HD12 LEU 86 2HD1 LEU 86 -0.571 -4.708 -7.769 719 HD13 LEU 86 3HD1 LEU 86 -0.191 -4.746 -9.494 720 HD21 LEU 86 1HD2 LEU 86 -2.604 -6.112 -8.179 721 HD22 LEU 86 2HD2 LEU 86 -2.448 -7.736 -8.836 722 HD23 LEU 86 3HD2 LEU 86 -2.285 -6.337 -9.901 723 H ASP 87 H ASP 87 1.938 -10.271 -9.945 724 HA ASP 87 HA ASP 87 2.557 -10.235 -12.714 725 HB2 ASP 87 2HB ASP 87 4.313 -10.612 -11.027 726 HB3 ASP 87 1HB ASP 87 3.523 -12.082 -10.474 727 H GLU 88 H GLU 88 0.935 -12.546 -10.584 728 HA GLU 88 HA GLU 88 0.474 -14.613 -12.498 729 HB2 GLU 88 2HB GLU 88 -0.819 -13.988 -9.811 730 HB3 GLU 88 1HB GLU 88 -1.174 -15.441 -10.745 731 HG2 GLU 88 2HG GLU 88 1.068 -16.256 -10.506 732 HG3 GLU 88 1HG GLU 88 1.623 -14.718 -9.849 733 H LEU 89 H LEU 89 -1.583 -11.965 -11.215 734 HA LEU 89 HA LEU 89 -3.930 -12.541 -12.649 735 HB2 LEU 89 2HB LEU 89 -2.903 -9.876 -11.589 736 HB3 LEU 89 1HB LEU 89 -4.496 -10.072 -12.303 737 HG LEU 89 HG LEU 89 -3.522 -11.459 -9.774 738 HD11 LEU 89 1HD1 LEU 89 -3.882 -9.053 -9.453 739 HD12 LEU 89 2HD1 LEU 89 -5.067 -10.016 -8.576 740 HD13 LEU 89 3HD1 LEU 89 -5.528 -9.210 -10.078 741 HD21 LEU 89 1HD2 LEU 89 -6.270 -11.530 -11.071 742 HD22 LEU 89 2HD2 LEU 89 -5.842 -12.227 -9.505 743 HD23 LEU 89 3HD2 LEU 89 -5.123 -12.870 -10.978 744 H SER 90 H SER 90 -1.248 -10.321 -13.431 745 HA SER 90 HA SER 90 -2.127 -9.453 -15.948 746 HB2 SER 90 2HB SER 90 -0.310 -8.334 -14.719 747 HB3 SER 90 1HB SER 90 0.733 -9.736 -14.924 748 HG SER 90 HG SER 90 0.743 -9.363 -17.145 749 H SER 91 H SER 91 -0.222 -12.305 -14.992 750 HA SER 91 HA SER 91 0.510 -13.211 -17.565 751 HB2 SER 91 2HB SER 91 1.582 -14.042 -15.503 752 HB3 SER 91 1HB SER 91 0.077 -14.811 -15.007 753 HG SER 91 HG SER 91 1.625 -15.431 -17.306 754 H LEU 92 H LEU 92 -2.405 -13.655 -15.632 755 HA LEU 92 HA LEU 92 -3.689 -15.532 -17.382 756 HB2 LEU 92 2HB LEU 92 -4.916 -13.665 -15.304 757 HB3 LEU 92 1HB LEU 92 -5.732 -15.027 -16.060 758 HG LEU 92 HG LEU 92 -3.331 -15.213 -14.201 759 HD11 LEU 92 1HD1 LEU 92 -6.214 -15.965 -13.684 760 HD12 LEU 92 2HD1 LEU 92 -5.350 -14.587 -12.997 761 HD13 LEU 92 3HD1 LEU 92 -4.852 -16.228 -12.589 762 HD21 LEU 92 1HD2 LEU 92 -3.655 -17.646 -14.283 763 HD22 LEU 92 2HD2 LEU 92 -3.250 -16.989 -15.865 764 HD23 LEU 92 3HD2 LEU 92 -4.918 -17.445 -15.503 765 H ILE 93 H ILE 93 -3.886 -12.002 -16.894 766 HA ILE 93 HA ILE 93 -6.021 -11.409 -18.607 767 HB ILE 93 HB ILE 93 -3.707 -9.624 -17.725 768 HG12 ILE 93 2HG1 ILE 93 -6.548 -9.764 -16.620 769 HG13 ILE 93 1HG1 ILE 93 -5.181 -10.607 -15.910 770 HG21 ILE 93 1HG2 ILE 93 -5.153 -7.680 -18.285 771 HG22 ILE 93 2HG2 ILE 93 -6.341 -8.778 -18.987 772 HG23 ILE 93 3HG2 ILE 93 -4.742 -8.629 -19.717 773 HD11 ILE 93 1HD1 ILE 93 -5.681 -8.589 -14.686 774 HD12 ILE 93 2HD1 ILE 93 -5.478 -7.617 -16.140 775 HD13 ILE 93 3HD1 ILE 93 -4.094 -8.462 -15.443 776 H GLY 94 H GLY 94 -2.525 -11.528 -19.278 777 HA2 GLY 94 2HA GLY 94 -2.610 -10.464 -21.911 778 HA3 GLY 94 1HA GLY 94 -1.312 -11.424 -21.227 779 H GLN 95 H GLN 95 -3.348 -13.631 -20.675 780 HA GLN 95 HA GLN 95 -3.155 -14.902 -23.326 781 HB2 GLN 95 2HB GLN 95 -3.618 -16.175 -20.594 782 HB3 GLN 95 1HB GLN 95 -3.380 -17.038 -22.109 783 HG2 GLN 95 2HG GLN 95 -1.344 -15.381 -20.599 784 HG3 GLN 95 1HG GLN 95 -1.327 -17.124 -20.852 785 HE21 GLN 95 1HE2 GLN 95 -0.809 -17.914 -22.956 786 HE22 GLN 95 2HE2 GLN 95 0.064 -16.943 -24.086 787 H VAL 96 H VAL 96 -5.549 -13.883 -20.943 788 HA VAL 96 HA VAL 96 -7.706 -15.402 -22.287 789 HB VAL 96 HB VAL 96 -9.141 -14.922 -20.382 790 HG11 VAL 96 1HG1 VAL 96 -7.970 -16.187 -18.628 791 HG12 VAL 96 2HG1 VAL 96 -6.422 -15.901 -19.430 792 HG13 VAL 96 3HG1 VAL 96 -7.661 -16.878 -20.222 793 HG21 VAL 96 1HG2 VAL 96 -8.382 -13.707 -18.366 794 HG22 VAL 96 2HG2 VAL 96 -8.382 -12.658 -19.785 795 HG23 VAL 96 3HG2 VAL 96 -6.862 -13.306 -19.175 796 H LEU 97 H LEU 97 -6.688 -12.085 -21.608 797 HA LEU 97 HA LEU 97 -8.887 -10.992 -23.249 798 HB2 LEU 97 2HB LEU 97 -7.922 -9.918 -21.019 799 HB3 LEU 97 1HB LEU 97 -6.608 -9.367 -22.033 800 HG LEU 97 HG LEU 97 -9.540 -8.571 -22.266 801 HD11 LEU 97 1HD1 LEU 97 -7.116 -6.936 -21.466 802 HD12 LEU 97 2HD1 LEU 97 -8.403 -7.507 -20.401 803 HD13 LEU 97 3HD1 LEU 97 -8.765 -6.324 -21.653 804 HD21 LEU 97 1HD2 LEU 97 -8.627 -8.628 -24.530 805 HD22 LEU 97 2HD2 LEU 97 -7.252 -7.643 -24.035 806 HD23 LEU 97 3HD2 LEU 97 -8.882 -6.962 -24.018 807 H PHE 98 H PHE 98 -8.470 -11.286 -25.397 808 HA PHE 98 HA PHE 98 -5.779 -11.063 -26.524 809 HB2 PHE 98 2HB PHE 98 -8.457 -11.351 -27.977 810 HB3 PHE 98 1HB PHE 98 -6.858 -11.579 -28.674 811 HD1 PHE 98 HD1 PHE 98 -5.372 -13.438 -27.381 812 HD2 PHE 98 HD2 PHE 98 -9.651 -13.294 -27.421 813 HE1 PHE 98 HE1 PHE 98 -5.469 -15.838 -26.847 814 HE2 PHE 98 HE2 PHE 98 -9.733 -15.690 -26.881 815 HZ PHE 98 HZ PHE 98 -7.646 -16.964 -26.592 816 H GLN 99 H GLN 99 -5.103 -8.995 -26.277 817 HA GLN 99 HA GLN 99 -6.916 -6.733 -26.458 818 HB2 GLN 99 2HB GLN 99 -4.792 -5.408 -25.851 819 HB3 GLN 99 1HB GLN 99 -5.407 -6.540 -24.661 820 HG2 GLN 99 2HG GLN 99 -3.043 -6.742 -24.640 821 HG3 GLN 99 1HG GLN 99 -3.669 -8.189 -25.419 822 HE21 GLN 99 1HE2 GLN 99 -3.309 -5.050 -27.034 823 HE22 GLN 99 2HE2 GLN 99 -2.048 -5.553 -28.100 824 H GLY 100 H GLY 100 -5.118 -8.415 -28.738 825 HA2 GLY 100 2HA GLY 100 -5.600 -6.463 -30.789 826 HA3 GLY 100 1HA GLY 100 -3.891 -6.590 -30.386 827 HA PRO 101 HA PRO 101 -3.642 -10.178 -33.032 828 HB2 PRO 101 2HB PRO 101 -1.551 -11.573 -32.045 829 HB3 PRO 101 1HB PRO 101 -1.327 -9.914 -32.641 830 HG2 PRO 101 2HG PRO 101 -1.624 -10.859 -29.802 831 HG3 PRO 101 1HG PRO 101 -0.452 -9.704 -30.479 832 HD2 PRO 101 2HD PRO 101 -2.767 -8.917 -29.204 833 HD3 PRO 101 1HD PRO 101 -1.958 -7.945 -30.453 834 H SER 102 H SER 102 -3.292 -12.703 -32.912 835 HA SER 102 HA SER 102 -3.965 -14.790 -32.395 836 HB2 SER 102 2HB SER 102 -4.383 -13.702 -29.565 837 HB3 SER 102 1HB SER 102 -4.298 -15.409 -30.014 838 HG SER 102 HG SER 102 -2.148 -14.866 -30.880 839 H ALA 103 H ALA 103 -5.795 -12.945 -33.512 840 HA ALA 103 HA ALA 103 -8.266 -14.418 -33.165 841 HB1 ALA 103 1HB ALA 103 -9.666 -12.427 -32.715 842 HB2 ALA 103 2HB ALA 103 -8.218 -11.423 -32.585 843 HB3 ALA 103 3HB ALA 103 -8.515 -12.702 -31.406 844 H GLY 104 H GLY 104 -9.509 -14.362 -35.006 845 HA2 GLY 104 2HA GLY 104 -8.484 -12.994 -37.395 846 HA3 GLY 104 1HA GLY 104 -9.735 -14.226 -37.333 847 H LEU 105 H LEU 105 -9.969 -11.645 -35.095 848 HA LEU 105 HA LEU 105 -11.507 -9.831 -36.764 849 HB2 LEU 105 2HB LEU 105 -13.370 -9.811 -34.961 850 HB3 LEU 105 1HB LEU 105 -13.362 -11.122 -36.123 851 HG LEU 105 HG LEU 105 -12.253 -12.588 -34.334 852 HD11 LEU 105 1HD1 LEU 105 -13.011 -10.331 -32.460 853 HD12 LEU 105 2HD1 LEU 105 -11.381 -10.900 -32.822 854 HD13 LEU 105 3HD1 LEU 105 -12.508 -11.952 -31.970 855 HD21 LEU 105 1HD2 LEU 105 -14.624 -12.808 -34.892 856 HD22 LEU 105 2HD2 LEU 105 -15.034 -11.545 -33.729 857 HD23 LEU 105 3HD2 LEU 105 -14.359 -13.077 -33.169 858 H VAL 106 H VAL 106 -12.303 -7.975 -35.061 859 HA VAL 106 HA VAL 106 -9.931 -6.993 -33.690 860 HB VAL 106 HB VAL 106 -12.716 -5.756 -33.937 861 HG11 VAL 106 1HG1 VAL 106 -11.662 -3.624 -33.281 862 HG12 VAL 106 2HG1 VAL 106 -10.115 -4.445 -33.051 863 HG13 VAL 106 3HG1 VAL 106 -11.485 -4.836 -32.010 864 HG21 VAL 106 1HG2 VAL 106 -11.657 -6.045 -36.144 865 HG22 VAL 106 2HG2 VAL 106 -10.225 -5.175 -35.587 866 HG23 VAL 106 3HG2 VAL 106 -11.772 -4.336 -35.716 867 HA PRO 107 HA PRO 107 -11.853 -9.065 -30.057 868 HB2 PRO 107 2HB PRO 107 -9.625 -10.047 -28.934 869 HB3 PRO 107 1HB PRO 107 -10.147 -10.642 -30.526 870 HG2 PRO 107 2HG PRO 107 -7.924 -8.751 -29.862 871 HG3 PRO 107 1HG PRO 107 -8.015 -9.985 -31.138 872 HD2 PRO 107 2HD PRO 107 -8.558 -7.189 -31.430 873 HD3 PRO 107 1HD PRO 107 -8.828 -8.463 -32.637 874 H ARG 108 H ARG 108 -10.220 -6.194 -30.187 875 HA ARG 108 HA ARG 108 -9.603 -5.744 -27.406 876 HB2 ARG 108 2HB ARG 108 -8.239 -4.766 -29.226 877 HB3 ARG 108 1HB ARG 108 -9.638 -3.880 -29.816 878 HG2 ARG 108 2HG ARG 108 -9.666 -2.524 -27.770 879 HG3 ARG 108 1HG ARG 108 -8.305 -3.446 -27.123 880 HD2 ARG 108 2HD ARG 108 -7.576 -1.280 -28.054 881 HD3 ARG 108 1HD ARG 108 -6.865 -2.639 -28.930 882 HE ARG 108 HE ARG 108 -9.241 -1.829 -30.208 883 HH11 ARG 108 1HH1 ARG 108 -5.944 -0.700 -29.757 884 HH12 ARG 108 2HH1 ARG 108 -5.919 0.197 -31.241 885 HH21 ARG 108 1HH2 ARG 108 -9.212 -0.636 -32.148 886 HH22 ARG 108 2HH2 ARG 108 -7.776 0.234 -32.599 887 H GLY 109 H GLY 109 -11.684 -6.209 -26.528 888 HA2 GLY 109 2HA GLY 109 -13.956 -4.432 -27.105 889 HA3 GLY 109 1HA GLY 109 -13.966 -5.876 -26.103 890 H SER 110 H SER 110 -11.947 -2.937 -26.042 891 HA SER 110 HA SER 110 -11.898 -2.788 -23.205 892 HB2 SER 110 2HB SER 110 -11.128 -0.652 -25.237 893 HB3 SER 110 1HB SER 110 -10.590 -0.741 -23.558 894 HG SER 110 HG SER 110 -9.447 -2.609 -24.036 895 H GLY 111 H GLY 111 -13.989 -2.638 -22.421 896 HA2 GLY 111 2HA GLY 111 -15.130 -0.438 -21.539 897 HA3 GLY 111 1HA GLY 111 -15.740 -0.396 -23.191 898 H GLY 112 H GLY 112 -16.012 -3.210 -23.558 899 HA2 GLY 112 2HA GLY 112 -17.496 -4.536 -21.577 900 HA3 GLY 112 1HA GLY 112 -18.637 -3.628 -22.566 901 H ILE 113 H ILE 113 -17.023 -6.526 -22.258 902 HA ILE 113 HA ILE 113 -17.417 -7.337 -25.079 903 HB ILE 113 HB ILE 113 -16.355 -9.102 -22.810 904 HG12 ILE 113 2HG1 ILE 113 -14.011 -8.549 -23.981 905 HG13 ILE 113 1HG1 ILE 113 -14.818 -7.055 -24.430 906 HG21 ILE 113 1HG2 ILE 113 -15.994 -9.303 -25.818 907 HG22 ILE 113 2HG2 ILE 113 -17.058 -10.309 -24.834 908 HG23 ILE 113 3HG2 ILE 113 -15.307 -10.413 -24.628 909 HD11 ILE 113 1HD1 ILE 113 -14.336 -8.079 -21.634 910 HD12 ILE 113 2HD1 ILE 113 -15.212 -6.596 -22.031 911 HD13 ILE 113 3HD1 ILE 113 -13.503 -6.749 -22.440 912 H GLU 114 H GLU 114 -18.674 -9.510 -25.317 913 HA GLU 114 HA GLU 114 -20.848 -9.791 -23.300 914 HB2 GLU 114 2HB GLU 114 -22.224 -10.806 -25.012 915 HB3 GLU 114 1HB GLU 114 -21.590 -9.311 -25.665 916 HG2 GLU 114 2HG GLU 114 -20.499 -12.067 -26.314 917 HG3 GLU 114 1HG GLU 114 -21.679 -11.206 -27.297 918 H GLY 115 H GLY 115 -21.411 -11.898 -22.579 919 HA2 GLY 115 2HA GLY 115 -21.120 -14.233 -22.311 920 HA3 GLY 115 1HA GLY 115 -19.572 -14.136 -23.143 921 H SER 428 H SER 428 -19.250 -15.601 -21.117 922 HA SER 428 HA SER 428 -18.974 -14.373 -18.542 923 HB2 SER 428 2HB SER 428 -19.433 -16.806 -18.820 924 HB3 SER 428 1HB SER 428 -17.831 -17.022 -19.527 925 HG SER 428 HG SER 428 -18.185 -15.879 -16.954 926 H ILE 429 H ILE 429 -16.888 -14.683 -21.318 927 HA ILE 429 HA ILE 429 -14.351 -14.297 -20.260 928 HB ILE 429 HB ILE 429 -14.641 -14.799 -22.613 929 HG12 ILE 429 2HG1 ILE 429 -12.616 -13.273 -21.838 930 HG13 ILE 429 1HG1 ILE 429 -12.868 -13.590 -23.544 931 HG21 ILE 429 1HG2 ILE 429 -15.961 -12.100 -22.967 932 HG22 ILE 429 2HG2 ILE 429 -16.735 -13.683 -23.069 933 HG23 ILE 429 3HG2 ILE 429 -15.532 -13.212 -24.274 934 HD11 ILE 429 1HD1 ILE 429 -12.232 -11.292 -23.136 935 HD12 ILE 429 2HD1 ILE 429 -13.627 -11.060 -22.084 936 HD13 ILE 429 3HD1 ILE 429 -13.862 -11.364 -23.808 937 H ASP 430 H ASP 430 -16.841 -11.866 -21.056 938 HA ASP 430 HA ASP 430 -15.504 -9.499 -20.495 939 HB2 ASP 430 2HB ASP 430 -17.715 -9.497 -21.490 940 HB3 ASP 430 1HB ASP 430 -18.417 -10.278 -20.079 941 H GLU 431 H GLU 431 -17.206 -11.700 -18.331 942 HA GLU 431 HA GLU 431 -17.164 -10.022 -16.027 943 HB2 GLU 431 2HB GLU 431 -17.690 -13.017 -16.209 944 HB3 GLU 431 1HB GLU 431 -18.152 -11.951 -14.880 945 HG2 GLU 431 2HG GLU 431 -19.638 -10.696 -16.448 946 HG3 GLU 431 1HG GLU 431 -19.228 -11.847 -17.721 947 H THR 432 H THR 432 -15.317 -12.948 -16.968 948 HA THR 432 HA THR 432 -13.854 -13.115 -14.527 949 HB THR 432 HB THR 432 -14.229 -15.113 -15.930 950 HG1 THR 432 HG1 THR 432 -12.406 -14.985 -14.473 951 HG21 THR 432 1HG2 THR 432 -13.935 -14.147 -18.187 952 HG22 THR 432 2HG2 THR 432 -12.881 -15.542 -17.950 953 HG23 THR 432 3HG2 THR 432 -12.216 -13.908 -17.868 954 H VAL 433 H VAL 433 -13.105 -11.743 -17.718 955 HA VAL 433 HA VAL 433 -10.418 -10.999 -17.182 956 HB VAL 433 HB VAL 433 -12.425 -9.984 -19.249 957 HG11 VAL 433 1HG1 VAL 433 -10.522 -8.894 -20.418 958 HG12 VAL 433 2HG1 VAL 433 -9.477 -9.267 -19.045 959 HG13 VAL 433 3HG1 VAL 433 -10.838 -8.162 -18.844 960 HG21 VAL 433 1HG2 VAL 433 -11.060 -11.294 -20.853 961 HG22 VAL 433 2HG2 VAL 433 -11.688 -12.320 -19.560 962 HG23 VAL 433 3HG2 VAL 433 -10.001 -11.805 -19.533 963 H ALA 434 H ALA 434 -13.553 -9.364 -16.769 964 HA ALA 434 HA ALA 434 -12.548 -6.840 -15.931 965 HB1 ALA 434 1HB ALA 434 -14.832 -6.403 -15.125 966 HB2 ALA 434 2HB ALA 434 -15.241 -8.109 -15.335 967 HB3 ALA 434 3HB ALA 434 -14.854 -7.114 -16.741 968 H ARG 435 H ARG 435 -13.149 -9.890 -14.232 969 HA ARG 435 HA ARG 435 -12.881 -8.835 -11.572 970 HB2 ARG 435 2HB ARG 435 -12.623 -11.679 -12.653 971 HB3 ARG 435 1HB ARG 435 -12.472 -11.292 -10.943 972 HG2 ARG 435 2HG ARG 435 -14.941 -10.880 -12.660 973 HG3 ARG 435 1HG ARG 435 -14.717 -12.126 -11.432 974 HD2 ARG 435 2HD ARG 435 -14.542 -10.358 -9.695 975 HD3 ARG 435 1HD ARG 435 -14.800 -9.127 -10.934 976 HE ARG 435 HE ARG 435 -16.954 -10.911 -11.038 977 HH11 ARG 435 1HH1 ARG 435 -15.619 -8.513 -8.816 978 HH12 ARG 435 2HH1 ARG 435 -17.156 -8.146 -8.099 979 HH21 ARG 435 1HH2 ARG 435 -18.965 -10.410 -10.084 980 HH22 ARG 435 2HH2 ARG 435 -19.054 -9.224 -8.821 981 H TYR 436 H TYR 436 -10.640 -10.450 -13.843 982 HA TYR 436 HA TYR 436 -8.336 -10.371 -12.190 983 HB2 TYR 436 2HB TYR 436 -8.549 -10.438 -15.228 984 HB3 TYR 436 1HB TYR 436 -7.052 -10.685 -14.332 985 HD1 TYR 436 HD1 TYR 436 -8.103 -12.389 -12.070 986 HD2 TYR 436 HD2 TYR 436 -8.806 -12.578 -16.290 987 HE1 TYR 436 HE1 TYR 436 -8.586 -14.784 -11.883 988 HE2 TYR 436 HE2 TYR 436 -9.291 -14.979 -16.098 989 HH TYR 436 HH TYR 436 -8.713 -16.865 -14.499 990 H LYS 437 H LYS 437 -9.696 -8.144 -14.514 991 HA LYS 437 HA LYS 437 -7.609 -6.227 -14.627 992 HB2 LYS 437 2HB LYS 437 -9.238 -6.426 -16.418 993 HB3 LYS 437 1HB LYS 437 -10.573 -6.123 -15.316 994 HG2 LYS 437 2HG LYS 437 -9.786 -3.788 -15.026 995 HG3 LYS 437 1HG LYS 437 -8.471 -4.100 -16.166 996 HD2 LYS 437 2HD LYS 437 -10.035 -4.460 -17.982 997 HD3 LYS 437 1HD LYS 437 -11.414 -4.439 -16.879 998 HE2 LYS 437 2HE LYS 437 -11.253 -2.332 -18.135 999 HE3 LYS 437 1HE LYS 437 -11.011 -2.058 -16.410 1000 HZ1 LYS 437 1HZ LYS 437 -9.431 -0.811 -17.739 1001 HZ2 LYS 437 2HZ LYS 437 -8.859 -2.235 -18.452 1002 HZ3 LYS 437 3HZ LYS 437 -8.630 -1.967 -16.801 1003 H ALA 438 H ALA 438 -10.558 -6.556 -12.667 1004 HA ALA 438 HA ALA 438 -10.448 -4.028 -11.379 1005 HB1 ALA 438 1HB ALA 438 -12.500 -5.367 -11.460 1006 HB2 ALA 438 2HB ALA 438 -12.068 -4.984 -9.793 1007 HB3 ALA 438 3HB ALA 438 -11.757 -6.600 -10.440 1008 H GLN 439 H GLN 439 -9.559 -7.304 -10.200 1009 HA GLN 439 HA GLN 439 -8.479 -6.477 -7.724 1010 HB2 GLN 439 2HB GLN 439 -7.813 -8.995 -9.314 1011 HB3 GLN 439 1HB GLN 439 -7.458 -8.738 -7.610 1012 HG2 GLN 439 2HG GLN 439 -10.196 -8.991 -8.876 1013 HG3 GLN 439 1HG GLN 439 -9.397 -10.176 -7.850 1014 HE21 GLN 439 1HE2 GLN 439 -11.153 -7.178 -7.933 1015 HE22 GLN 439 2HE2 GLN 439 -11.428 -7.056 -6.234 1016 H PHE 440 H PHE 440 -7.032 -6.857 -10.947 1017 HA PHE 440 HA PHE 440 -4.331 -6.522 -10.248 1018 HB2 PHE 440 2HB PHE 440 -5.075 -7.272 -12.529 1019 HB3 PHE 440 1HB PHE 440 -5.665 -5.647 -12.847 1020 HD1 PHE 440 HD1 PHE 440 -2.592 -7.639 -12.187 1021 HD2 PHE 440 HD2 PHE 440 -4.151 -3.919 -13.634 1022 HE1 PHE 440 HE1 PHE 440 -0.359 -7.015 -13.010 1023 HE2 PHE 440 HE2 PHE 440 -1.912 -3.308 -14.449 1024 HZ PHE 440 HZ PHE 440 -0.017 -4.848 -14.133 1025 H THR 441 H THR 441 -6.606 -4.082 -11.594 1026 HA THR 441 HA THR 441 -4.871 -1.894 -11.457 1027 HB THR 441 HB THR 441 -7.926 -1.853 -11.479 1028 HG1 THR 441 HG1 THR 441 -7.713 -2.590 -13.422 1029 HG21 THR 441 1HG2 THR 441 -5.939 0.249 -12.433 1030 HG22 THR 441 2HG2 THR 441 -6.969 0.381 -11.004 1031 HG23 THR 441 3HG2 THR 441 -7.692 0.329 -12.614 1032 H GLN 442 H GLN 442 -7.170 -3.108 -9.076 1033 HA GLN 442 HA GLN 442 -7.127 -0.957 -7.241 1034 HB2 GLN 442 2HB GLN 442 -7.738 -3.913 -6.912 1035 HB3 GLN 442 1HB GLN 442 -7.887 -2.770 -5.580 1036 HG2 GLN 442 2HG GLN 442 -9.603 -1.530 -6.754 1037 HG3 GLN 442 1HG GLN 442 -9.389 -2.516 -8.200 1038 HE21 GLN 442 1HE2 GLN 442 -9.194 -5.049 -6.847 1039 HE22 GLN 442 2HE2 GLN 442 -10.749 -5.413 -6.199 1040 H LEU 443 H LEU 443 -5.391 -4.111 -7.096 1041 HA LEU 443 HA LEU 443 -3.707 -3.334 -4.901 1042 HB2 LEU 443 2HB LEU 443 -3.709 -5.693 -6.803 1043 HB3 LEU 443 1HB LEU 443 -2.416 -5.483 -5.641 1044 HG LEU 443 HG LEU 443 -4.008 -5.722 -3.764 1045 HD11 LEU 443 1HD1 LEU 443 -6.336 -6.383 -4.078 1046 HD12 LEU 443 2HD1 LEU 443 -6.174 -6.179 -5.824 1047 HD13 LEU 443 3HD1 LEU 443 -6.033 -4.784 -4.756 1048 HD21 LEU 443 1HD2 LEU 443 -2.922 -7.733 -4.629 1049 HD22 LEU 443 2HD2 LEU 443 -4.242 -7.982 -5.775 1050 HD23 LEU 443 3HD2 LEU 443 -4.542 -8.109 -4.039 1051 H ASP 444 H ASP 444 -3.585 -2.767 -8.254 1052 HA ASP 444 HA ASP 444 -0.753 -2.551 -8.687 1053 HB2 ASP 444 2HB ASP 444 -2.323 -3.149 -10.508 1054 HB3 ASP 444 1HB ASP 444 -3.147 -1.609 -10.337 1055 H THR 445 H THR 445 -3.439 -0.152 -8.543 1056 HA THR 445 HA THR 445 -1.746 2.132 -8.454 1057 HB THR 445 HB THR 445 -4.139 2.299 -9.156 1058 HG1 THR 445 HG1 THR 445 -2.834 3.965 -7.447 1059 HG21 THR 445 1HG2 THR 445 -4.803 2.014 -6.207 1060 HG22 THR 445 2HG2 THR 445 -5.178 0.822 -7.452 1061 HG23 THR 445 3HG2 THR 445 -5.942 2.413 -7.496 1062 H MET 446 H MET 446 -3.106 -0.025 -6.008 1063 HA MET 446 HA MET 446 -2.421 1.362 -3.674 1064 HB2 MET 446 2HB MET 446 -3.776 -0.757 -3.710 1065 HB3 MET 446 1HB MET 446 -2.318 -1.662 -4.094 1066 HG2 MET 446 2HG MET 446 -1.320 -0.886 -1.940 1067 HG3 MET 446 1HG MET 446 -2.845 -0.083 -1.563 1068 HE1 MET 446 1HE MET 446 -2.951 -1.342 0.769 1069 HE2 MET 446 2HE MET 446 -1.410 -2.121 0.397 1070 HE3 MET 446 3HE MET 446 -2.780 -3.087 0.932 1071 H MET 447 H MET 447 -0.565 -0.915 -5.699 1072 HA MET 447 HA MET 447 1.727 -1.064 -4.076 1073 HB2 MET 447 2HB MET 447 1.236 -2.772 -5.745 1074 HB3 MET 447 1HB MET 447 1.459 -1.612 -7.049 1075 HG2 MET 447 2HG MET 447 3.828 -1.415 -6.549 1076 HG3 MET 447 1HG MET 447 3.649 -2.410 -5.102 1077 HE1 MET 447 1HE MET 447 2.726 -5.852 -6.643 1078 HE2 MET 447 2HE MET 447 1.658 -4.590 -6.042 1079 HE3 MET 447 3HE MET 447 3.131 -5.004 -5.156 1080 H SER 448 H SER 448 1.048 0.927 -6.961 1081 HA SER 448 HA SER 448 3.599 2.139 -7.103 1082 HB2 SER 448 2HB SER 448 2.304 3.910 -8.483 1083 HB3 SER 448 1HB SER 448 2.295 2.250 -9.074 1084 HG SER 448 HG SER 448 0.229 2.165 -8.787 1085 H LYS 449 H LYS 449 0.626 3.065 -5.379 1086 HA LYS 449 HA LYS 449 1.667 5.518 -4.345 1087 HB2 LYS 449 2HB LYS 449 -0.683 3.823 -3.430 1088 HB3 LYS 449 1HB LYS 449 -0.254 5.368 -2.699 1089 HG2 LYS 449 2HG LYS 449 -0.532 6.440 -4.964 1090 HG3 LYS 449 1HG LYS 449 -1.139 4.891 -5.558 1091 HD2 LYS 449 2HD LYS 449 -3.040 6.297 -5.024 1092 HD3 LYS 449 1HD LYS 449 -2.965 5.003 -3.826 1093 HE2 LYS 449 2HE LYS 449 -1.944 6.552 -2.202 1094 HE3 LYS 449 1HE LYS 449 -1.939 7.836 -3.411 1095 HZ1 LYS 449 1HZ LYS 449 -4.355 6.529 -2.281 1096 HZ2 LYS 449 2HZ LYS 449 -4.366 7.733 -3.466 1097 HZ3 LYS 449 3HZ LYS 449 -3.799 8.081 -1.911 1098 H LEU 450 H LEU 450 1.635 2.154 -3.113 1099 HA LEU 450 HA LEU 450 2.588 2.977 -0.513 1100 HB2 LEU 450 2HB LEU 450 2.490 0.703 0.200 1101 HB3 LEU 450 1HB LEU 450 1.051 1.049 -0.719 1102 HG LEU 450 HG LEU 450 2.217 -0.225 -2.666 1103 HD11 LEU 450 1HD1 LEU 450 3.804 -1.995 -2.026 1104 HD12 LEU 450 2HD1 LEU 450 3.930 -1.295 -0.408 1105 HD13 LEU 450 3HD1 LEU 450 4.487 -0.385 -1.813 1106 HD21 LEU 450 1HD2 LEU 450 1.396 -2.390 -1.855 1107 HD22 LEU 450 2HD2 LEU 450 0.277 -1.090 -1.461 1108 HD23 LEU 450 3HD2 LEU 450 1.324 -1.756 -0.207 1109 H ASN 451 H ASN 451 4.034 2.110 -3.495 1110 HA ASN 451 HA ASN 451 6.666 1.537 -2.384 1111 HB2 ASN 451 2HB ASN 451 5.848 0.525 -4.569 1112 HB3 ASN 451 1HB ASN 451 5.951 2.122 -5.306 1113 HD21 ASN 451 1HD2 ASN 451 8.043 3.036 -5.629 1114 HD22 ASN 451 2HD2 ASN 451 9.464 2.056 -5.624 1115 H ASN 452 H ASN 452 4.966 4.197 -3.996 1116 HA ASN 452 HA ASN 452 6.941 6.194 -4.033 1117 HB2 ASN 452 2HB ASN 452 4.776 6.526 -5.136 1118 HB3 ASN 452 1HB ASN 452 3.924 6.385 -3.603 1119 HD21 ASN 452 1HD2 ASN 452 2.930 8.376 -3.699 1120 HD22 ASN 452 2HD2 ASN 452 3.782 9.880 -3.621 1121 H THR 453 H THR 453 4.578 5.324 -1.508 1122 HA THR 453 HA THR 453 5.346 7.280 0.366 1123 HB THR 453 HB THR 453 4.072 5.868 2.047 1124 HG1 THR 453 HG1 THR 453 3.669 3.876 1.543 1125 HG21 THR 453 1HG2 THR 453 2.862 7.566 0.717 1126 HG22 THR 453 2HG2 THR 453 1.842 6.159 1.020 1127 HG23 THR 453 3HG2 THR 453 2.587 6.386 -0.566 1128 H SER 454 H SER 454 5.987 3.707 0.426 1129 HA SER 454 HA SER 454 7.681 3.638 2.600 1130 HB2 SER 454 2HB SER 454 8.599 1.511 1.686 1131 HB3 SER 454 1HB SER 454 6.839 1.582 1.603 1132 HG SER 454 HG SER 454 6.941 1.456 -0.479 1133 H SER 455 H SER 455 8.524 4.537 -0.708 1134 HA SER 455 HA SER 455 11.321 4.597 -0.452 1135 HB2 SER 455 2HB SER 455 10.098 4.750 -2.631 1136 HB3 SER 455 1HB SER 455 9.594 6.389 -2.219 1137 HG SER 455 HG SER 455 12.278 5.479 -2.468 1138 H TYR 456 H TYR 456 9.012 7.415 -0.248 1139 HA TYR 456 HA TYR 456 11.110 9.100 0.767 1140 HB2 TYR 456 2HB TYR 456 9.433 10.885 1.022 1141 HB3 TYR 456 1HB TYR 456 9.431 10.178 -0.578 1142 HD1 TYR 456 HD1 TYR 456 7.549 9.546 2.671 1143 HD2 TYR 456 HD2 TYR 456 7.310 10.161 -1.554 1144 HE1 TYR 456 HE1 TYR 456 5.102 9.482 2.795 1145 HE2 TYR 456 HE2 TYR 456 4.859 10.080 -1.423 1146 HH TYR 456 HH TYR 456 3.107 9.242 0.031 1147 H LEU 457 H LEU 457 8.934 6.947 2.299 1148 HA LEU 457 HA LEU 457 8.892 8.088 4.913 1149 HB2 LEU 457 2HB LEU 457 8.321 5.266 3.936 1150 HB3 LEU 457 1HB LEU 457 8.199 5.718 5.629 1151 HG LEU 457 HG LEU 457 6.493 6.810 3.360 1152 HD11 LEU 457 1HD1 LEU 457 5.771 4.968 5.660 1153 HD12 LEU 457 2HD1 LEU 457 5.902 4.517 3.958 1154 HD13 LEU 457 3HD1 LEU 457 4.642 5.636 4.476 1155 HD21 LEU 457 1HD2 LEU 457 5.224 7.976 5.123 1156 HD22 LEU 457 2HD2 LEU 457 6.879 8.559 4.996 1157 HD23 LEU 457 3HD2 LEU 457 6.427 7.473 6.312 1158 H THR 458 H THR 458 10.890 5.584 3.302 1159 HA THR 458 HA THR 458 12.374 4.966 5.677 1160 HB THR 458 HB THR 458 12.083 3.340 3.767 1161 HG1 THR 458 HG1 THR 458 13.604 2.653 5.112 1162 HG21 THR 458 1HG2 THR 458 13.690 3.377 1.890 1163 HG22 THR 458 2HG2 THR 458 14.281 4.960 2.410 1164 HG23 THR 458 3HG2 THR 458 12.622 4.778 1.837 1165 H GLN 459 H GLN 459 12.866 7.171 2.929 1166 HA GLN 459 HA GLN 459 15.446 8.135 3.607 1167 HB2 GLN 459 2HB GLN 459 13.115 9.645 2.336 1168 HB3 GLN 459 1HB GLN 459 14.786 10.198 2.354 1169 HG2 GLN 459 2HG GLN 459 15.458 8.315 0.959 1170 HG3 GLN 459 1HG GLN 459 13.817 7.674 0.989 1171 HE21 GLN 459 1HE2 GLN 459 12.586 10.367 0.698 1172 HE22 GLN 459 2HE2 GLN 459 12.828 10.799 -0.955 1173 H GLN 460 H GLN 460 12.199 9.265 4.559 1174 HA GLN 460 HA GLN 460 13.009 11.444 6.171 1175 HB2 GLN 460 2HB GLN 460 10.674 10.919 5.108 1176 HB3 GLN 460 1HB GLN 460 10.377 9.951 6.540 1177 HG2 GLN 460 2HG GLN 460 11.091 12.896 6.630 1178 HG3 GLN 460 1HG GLN 460 9.433 12.312 6.554 1179 HE21 GLN 460 1HE2 GLN 460 10.833 13.898 8.616 1180 HE22 GLN 460 2HE2 GLN 460 10.615 13.037 10.094 1181 H PHE 461 H PHE 461 12.403 8.037 6.858 1182 HA PHE 461 HA PHE 461 12.466 8.105 9.678 1183 HB2 PHE 461 2HB PHE 461 11.572 6.160 8.484 1184 HB3 PHE 461 1HB PHE 461 13.132 5.847 7.741 1185 HD1 PHE 461 HD1 PHE 461 11.858 6.395 11.251 1186 HD2 PHE 461 HD2 PHE 461 14.221 3.969 8.629 1187 HE1 PHE 461 HE1 PHE 461 12.452 4.929 13.129 1188 HE2 PHE 461 HE2 PHE 461 14.805 2.515 10.518 1189 HZ PHE 461 HZ PHE 461 13.930 2.993 12.769 1190 H THR 462 H THR 462 14.976 7.539 7.220 1191 HA THR 462 HA THR 462 17.130 6.962 8.927 1192 HB THR 462 HB THR 462 17.240 8.248 6.157 1193 HG1 THR 462 HG1 THR 462 16.163 6.054 6.579 1194 HG21 THR 462 1HG2 THR 462 19.501 7.265 5.989 1195 HG22 THR 462 2HG2 THR 462 19.365 6.638 7.634 1196 HG23 THR 462 3HG2 THR 462 19.421 8.380 7.359 1197 H ALA 463 H ALA 463 15.836 10.044 7.709 1198 HA ALA 463 HA ALA 463 17.882 11.710 8.849 1199 HB1 ALA 463 1HB ALA 463 15.095 12.446 7.895 1200 HB2 ALA 463 2HB ALA 463 16.565 12.455 6.915 1201 HB3 ALA 463 3HB ALA 463 16.397 13.581 8.264 1202 H MET 464 H MET 464 14.530 10.937 9.857 1203 HA MET 464 HA MET 464 14.338 12.669 12.070 1204 HB2 MET 464 2HB MET 464 12.312 11.725 11.069 1205 HB3 MET 464 1HB MET 464 12.833 10.086 11.434 1206 HG2 MET 464 2HG MET 464 12.629 10.613 13.875 1207 HG3 MET 464 1HG MET 464 12.008 12.202 13.445 1208 HE1 MET 464 1HE MET 464 9.636 12.702 12.694 1209 HE2 MET 464 2HE MET 464 8.431 11.506 12.221 1210 HE3 MET 464 3HE MET 464 9.818 11.816 11.177 1211 H ASN 465 H ASN 465 15.552 9.418 11.724 1212 HA ASN 465 HA ASN 465 15.862 8.972 14.580 1213 HB2 ASN 465 2HB ASN 465 15.085 7.170 12.949 1214 HB3 ASN 465 1HB ASN 465 16.712 7.158 12.278 1215 HD21 ASN 465 1HD2 ASN 465 16.695 4.909 12.869 1216 HD22 ASN 465 2HD2 ASN 465 17.036 4.424 14.491 1217 H LYS 466 H LYS 466 18.213 8.656 11.798 1218 HA LYS 466 HA LYS 466 20.178 10.207 13.399 1219 HB2 LYS 466 2HB LYS 466 22.025 8.794 12.593 1220 HB3 LYS 466 1HB LYS 466 20.879 7.880 13.549 1221 HG2 LYS 466 2HG LYS 466 20.888 7.799 10.511 1222 HG3 LYS 466 1HG LYS 466 21.889 6.727 11.484 1223 HD2 LYS 466 2HD LYS 466 18.856 6.880 11.649 1224 HD3 LYS 466 1HD LYS 466 19.757 5.682 10.716 1225 HE2 LYS 466 2HE LYS 466 19.923 6.035 13.737 1226 HE3 LYS 466 1HE LYS 466 19.023 4.778 12.894 1227 HZ1 LYS 466 1HZ LYS 466 21.173 3.985 13.694 1228 HZ2 LYS 466 2HZ LYS 466 21.963 5.141 12.750 1229 HZ3 LYS 466 3HZ LYS 466 21.078 3.917 12.007 1230 H SER 467 H SER 467 19.201 12.014 12.083 1231 HA SER 467 HA SER 467 19.680 12.463 9.407 1232 HB2 SER 467 2HB SER 467 18.465 14.006 10.949 1233 HB3 SER 467 1HB SER 467 20.009 14.552 11.606 1234 HG SER 467 HG SER 467 20.142 15.844 9.971 Start of MODEL 11 1 H1 MET 1 1H MET 1 -1.906 22.578 20.683 2 H2 MET 1 2H MET 1 -0.822 22.328 21.957 3 H3 MET 1 3H MET 1 -1.737 21.039 21.358 4 HA MET 1 HA MET 1 0.275 22.547 19.815 5 HB2 MET 1 2HB MET 1 1.716 20.498 20.043 6 HB3 MET 1 1HB MET 1 1.435 21.311 21.572 7 HG2 MET 1 2HG MET 1 -0.170 19.597 22.239 8 HG3 MET 1 1HG MET 1 -0.038 18.825 20.657 9 HE1 MET 1 1HE MET 1 0.556 16.440 21.559 10 HE2 MET 1 2HE MET 1 0.323 17.010 23.214 11 HE3 MET 1 3HE MET 1 1.788 16.130 22.782 12 H THR 2 H THR 2 -1.366 22.723 18.168 13 HA THR 2 HA THR 2 -2.963 20.651 17.175 14 HB THR 2 HB THR 2 -3.178 22.102 15.081 15 HG1 THR 2 HG1 THR 2 -1.538 23.944 16.501 16 HG21 THR 2 1HG2 THR 2 -3.541 23.554 17.726 17 HG22 THR 2 2HG2 THR 2 -4.699 22.442 16.993 18 HG23 THR 2 3HG2 THR 2 -4.322 23.972 16.200 19 H SER 3 H SER 3 0.131 21.869 15.880 20 HA SER 3 HA SER 3 0.300 20.160 13.635 21 HB2 SER 3 2HB SER 3 2.583 21.534 15.122 22 HB3 SER 3 1HB SER 3 2.583 21.008 13.439 23 HG SER 3 HG SER 3 0.634 22.502 13.342 24 H THR 4 H THR 4 1.566 19.879 16.929 25 HA THR 4 HA THR 4 3.198 17.576 16.444 26 HB THR 4 HB THR 4 2.290 18.753 19.107 27 HG1 THR 4 HG1 THR 4 4.690 19.211 17.631 28 HG21 THR 4 1HG2 THR 4 4.654 16.939 18.469 29 HG22 THR 4 2HG2 THR 4 3.202 16.452 19.347 30 HG23 THR 4 3HG2 THR 4 4.297 17.649 20.042 31 H VAL 5 H VAL 5 -0.124 18.075 17.648 32 HA VAL 5 HA VAL 5 -0.329 15.377 18.667 33 HB VAL 5 HB VAL 5 -1.604 17.350 19.652 34 HG11 VAL 5 1HG1 VAL 5 -3.488 16.957 17.312 35 HG12 VAL 5 2HG1 VAL 5 -2.462 18.363 17.584 36 HG13 VAL 5 3HG1 VAL 5 -3.771 18.000 18.712 37 HG21 VAL 5 1HG2 VAL 5 -3.238 14.888 18.948 38 HG22 VAL 5 2HG2 VAL 5 -3.571 16.001 20.279 39 HG23 VAL 5 3HG2 VAL 5 -2.097 15.029 20.288 40 H GLU 6 H GLU 6 -1.455 17.094 15.718 41 HA GLU 6 HA GLU 6 -2.868 14.926 14.540 42 HB2 GLU 6 2HB GLU 6 -2.688 16.160 12.422 43 HB3 GLU 6 1HB GLU 6 -3.091 17.268 13.728 44 HG2 GLU 6 2HG GLU 6 -0.710 17.980 13.828 45 HG3 GLU 6 1HG GLU 6 -0.347 16.909 12.482 46 H PHE 7 H PHE 7 0.524 15.941 14.498 47 HA PHE 7 HA PHE 7 1.689 14.086 12.800 48 HB2 PHE 7 2HB PHE 7 2.872 15.994 13.726 49 HB3 PHE 7 1HB PHE 7 2.683 15.390 15.358 50 HD1 PHE 7 HD1 PHE 7 4.590 15.071 12.220 51 HD2 PHE 7 HD2 PHE 7 4.171 13.651 16.232 52 HE1 PHE 7 HE1 PHE 7 6.820 14.058 12.114 53 HE2 PHE 7 HE2 PHE 7 6.403 12.652 16.097 54 HZ PHE 7 HZ PHE 7 7.729 12.860 14.045 55 H ILE 8 H ILE 8 1.254 13.731 16.367 56 HA ILE 8 HA ILE 8 2.332 11.167 16.699 57 HB ILE 8 HB ILE 8 0.078 12.425 18.349 58 HG12 ILE 8 2HG1 ILE 8 3.068 12.540 18.941 59 HG13 ILE 8 1HG1 ILE 8 2.177 13.842 18.173 60 HG21 ILE 8 1HG2 ILE 8 0.862 10.947 20.194 61 HG22 ILE 8 2HG2 ILE 8 2.009 10.193 19.088 62 HG23 ILE 8 3HG2 ILE 8 0.276 10.022 18.807 63 HD11 ILE 8 1HD1 ILE 8 2.524 14.265 20.533 64 HD12 ILE 8 2HD1 ILE 8 1.665 12.782 20.949 65 HD13 ILE 8 3HD1 ILE 8 0.808 14.114 20.164 66 H ASN 9 H ASN 9 -1.076 12.146 16.525 67 HA ASN 9 HA ASN 9 -2.341 9.713 16.789 68 HB2 ASN 9 2HB ASN 9 -3.315 12.142 15.217 69 HB3 ASN 9 1HB ASN 9 -4.342 10.797 15.705 70 HD21 ASN 9 1HD2 ASN 9 -4.561 13.615 16.359 71 HD22 ASN 9 2HD2 ASN 9 -4.535 13.716 18.082 72 H ARG 10 H ARG 10 -1.475 11.382 13.723 73 HA ARG 10 HA ARG 10 -2.743 9.364 12.125 74 HB2 ARG 10 2HB ARG 10 -0.989 11.719 11.366 75 HB3 ARG 10 1HB ARG 10 -1.736 10.640 10.185 76 HG2 ARG 10 2HG ARG 10 -3.976 11.235 11.043 77 HG3 ARG 10 1HG ARG 10 -3.235 12.314 12.230 78 HD2 ARG 10 2HD ARG 10 -3.011 12.608 9.220 79 HD3 ARG 10 1HD ARG 10 -4.104 13.528 10.257 80 HE ARG 10 HE ARG 10 -1.476 13.810 11.206 81 HH11 ARG 10 1HH1 ARG 10 -3.443 14.874 8.482 82 HH12 ARG 10 2HH1 ARG 10 -2.514 16.316 8.244 83 HH21 ARG 10 1HH2 ARG 10 -0.306 15.692 10.857 84 HH22 ARG 10 2HH2 ARG 10 -0.749 16.779 9.583 85 H TRP 11 H TRP 11 0.714 9.988 12.969 86 HA TRP 11 HA TRP 11 1.814 7.947 11.321 87 HB2 TRP 11 2HB TRP 11 2.776 9.175 13.924 88 HB3 TRP 11 1HB TRP 11 3.657 7.839 13.192 89 HD1 TRP 11 HD1 TRP 11 3.992 11.369 13.408 90 HE1 TRP 11 HE1 TRP 11 5.299 12.349 11.441 91 HE3 TRP 11 HE3 TRP 11 3.617 7.466 10.116 92 HZ2 TRP 11 HZ2 TRP 11 6.082 11.616 8.852 93 HZ3 TRP 11 HZ3 TRP 11 4.682 7.688 7.906 94 HH2 TRP 11 HH2 TRP 11 5.888 9.728 7.289 95 H GLN 12 H GLN 12 0.478 7.897 14.584 96 HA GLN 12 HA GLN 12 0.920 5.234 15.319 97 HB2 GLN 12 2HB GLN 12 0.175 7.028 16.863 98 HB3 GLN 12 1HB GLN 12 -1.385 7.090 16.058 99 HG2 GLN 12 2HG GLN 12 -1.878 4.803 16.824 100 HG3 GLN 12 1HG GLN 12 -0.295 4.721 17.603 101 HE21 GLN 12 1HE2 GLN 12 -1.125 4.440 19.656 102 HE22 GLN 12 2HE2 GLN 12 -1.977 5.669 20.516 103 H ARG 13 H ARG 13 -1.767 6.776 13.533 104 HA ARG 13 HA ARG 13 -3.431 4.518 13.271 105 HB2 ARG 13 2HB ARG 13 -3.211 6.908 11.393 106 HB3 ARG 13 1HB ARG 13 -4.512 5.724 11.373 107 HG2 ARG 13 2HG ARG 13 -3.899 7.717 13.558 108 HG3 ARG 13 1HG ARG 13 -5.281 7.724 12.471 109 HD2 ARG 13 2HD ARG 13 -6.101 5.632 13.508 110 HD3 ARG 13 1HD ARG 13 -4.712 5.628 14.602 111 HE ARG 13 HE ARG 13 -7.035 7.398 14.679 112 HH11 ARG 13 1HH1 ARG 13 -3.889 6.633 16.077 113 HH12 ARG 13 2HH1 ARG 13 -4.171 7.562 17.514 114 HH21 ARG 13 1HH2 ARG 13 -7.365 8.625 16.538 115 HH22 ARG 13 2HH2 ARG 13 -6.139 8.687 17.767 116 H ILE 14 H ILE 14 -0.853 5.804 11.178 117 HA ILE 14 HA ILE 14 -1.229 4.119 8.948 118 HB ILE 14 HB ILE 14 1.258 5.596 9.931 119 HG12 ILE 14 2HG1 ILE 14 -0.739 6.275 7.727 120 HG13 ILE 14 1HG1 ILE 14 -0.664 7.040 9.308 121 HG21 ILE 14 1HG2 ILE 14 0.874 4.309 7.205 122 HG22 ILE 14 2HG2 ILE 14 1.981 3.753 8.458 123 HG23 ILE 14 3HG2 ILE 14 2.239 5.317 7.689 124 HD11 ILE 14 1HD1 ILE 14 1.563 7.909 8.768 125 HD12 ILE 14 2HD1 ILE 14 0.321 8.451 7.642 126 HD13 ILE 14 3HD1 ILE 14 1.445 7.181 7.162 127 H ALA 15 H ALA 15 0.834 3.732 11.846 128 HA ALA 15 HA ALA 15 2.101 1.302 11.124 129 HB1 ALA 15 1HB ALA 15 1.466 2.346 13.899 130 HB2 ALA 15 2HB ALA 15 2.894 2.742 12.948 131 HB3 ALA 15 3HB ALA 15 2.651 1.087 13.503 132 H LEU 16 H LEU 16 -0.863 1.972 12.978 133 HA LEU 16 HA LEU 16 -1.520 -0.686 13.677 134 HB2 LEU 16 2HB LEU 16 -3.283 1.776 13.379 135 HB3 LEU 16 1HB LEU 16 -3.829 0.266 14.091 136 HG LEU 16 HG LEU 16 -1.607 2.022 15.210 137 HD11 LEU 16 1HD1 LEU 16 -3.801 3.088 15.443 138 HD12 LEU 16 2HD1 LEU 16 -3.164 2.591 17.009 139 HD13 LEU 16 3HD1 LEU 16 -4.436 1.642 16.234 140 HD21 LEU 16 1HD2 LEU 16 -1.202 -0.324 15.728 141 HD22 LEU 16 2HD2 LEU 16 -2.844 -0.503 16.353 142 HD23 LEU 16 3HD2 LEU 16 -1.690 0.545 17.183 143 H LEU 17 H LEU 17 -2.424 1.340 10.907 144 HA LEU 17 HA LEU 17 -4.385 -0.399 9.797 145 HB2 LEU 17 2HB LEU 17 -2.838 1.931 8.584 146 HB3 LEU 17 1HB LEU 17 -4.067 1.047 7.694 147 HG LEU 17 HG LEU 17 -4.566 2.628 10.250 148 HD11 LEU 17 1HD1 LEU 17 -5.746 4.244 8.838 149 HD12 LEU 17 2HD1 LEU 17 -5.297 3.336 7.392 150 HD13 LEU 17 3HD1 LEU 17 -4.051 4.109 8.374 151 HD21 LEU 17 1HD2 LEU 17 -6.955 2.253 9.802 152 HD22 LEU 17 2HD2 LEU 17 -6.103 0.736 10.069 153 HD23 LEU 17 3HD2 LEU 17 -6.549 1.218 8.430 154 H SER 18 H SER 18 -0.947 0.234 8.996 155 HA SER 18 HA SER 18 -0.704 -1.443 6.764 156 HB2 SER 18 2HB SER 18 1.765 -1.405 7.277 157 HB3 SER 18 1HB SER 18 1.024 0.192 7.283 158 HG SER 18 HG SER 18 1.683 0.401 9.239 159 H GLN 19 H GLN 19 -0.045 -2.081 10.195 160 HA GLN 19 HA GLN 19 0.793 -4.752 10.019 161 HB2 GLN 19 2HB GLN 19 1.099 -3.318 12.005 162 HB3 GLN 19 1HB GLN 19 -0.637 -3.311 12.292 163 HG2 GLN 19 2HG GLN 19 -0.558 -5.753 12.718 164 HG3 GLN 19 1HG GLN 19 1.186 -5.733 12.455 165 HE21 GLN 19 1HE2 GLN 19 -0.583 -3.190 14.177 166 HE22 GLN 19 2HE2 GLN 19 0.087 -3.540 15.728 167 H SER 20 H SER 20 -2.457 -3.369 10.484 168 HA SER 20 HA SER 20 -3.915 -5.748 10.865 169 HB2 SER 20 2HB SER 20 -4.834 -3.082 9.706 170 HB3 SER 20 1HB SER 20 -5.911 -4.376 10.235 171 HG SER 20 HG SER 20 -3.972 -3.369 11.994 172 H LEU 21 H LEU 21 -3.428 -3.828 7.878 173 HA LEU 21 HA LEU 21 -4.876 -5.674 6.252 174 HB2 LEU 21 2HB LEU 21 -4.260 -4.220 4.350 175 HB3 LEU 21 1HB LEU 21 -5.023 -3.377 5.675 176 HG LEU 21 HG LEU 21 -2.617 -2.659 6.368 177 HD11 LEU 21 1HD1 LEU 21 -1.332 -4.139 4.966 178 HD12 LEU 21 2HD1 LEU 21 -0.990 -2.461 4.558 179 HD13 LEU 21 3HD1 LEU 21 -2.035 -3.430 3.511 180 HD21 LEU 21 1HD2 LEU 21 -3.837 -1.505 3.847 181 HD22 LEU 21 2HD2 LEU 21 -2.660 -0.708 4.899 182 HD23 LEU 21 3HD2 LEU 21 -4.268 -1.086 5.509 183 H LEU 22 H LEU 22 -1.576 -5.480 7.243 184 HA LEU 22 HA LEU 22 -0.450 -7.143 5.218 185 HB2 LEU 22 2HB LEU 22 0.988 -5.841 6.755 186 HB3 LEU 22 1HB LEU 22 0.397 -6.779 8.122 187 HG LEU 22 HG LEU 22 1.400 -8.857 7.063 188 HD11 LEU 22 1HD1 LEU 22 2.678 -6.918 5.115 189 HD12 LEU 22 2HD1 LEU 22 1.439 -8.116 4.732 190 HD13 LEU 22 3HD1 LEU 22 3.032 -8.641 5.268 191 HD21 LEU 22 1HD2 LEU 22 3.366 -6.638 7.657 192 HD22 LEU 22 2HD2 LEU 22 3.711 -8.369 7.671 193 HD23 LEU 22 3HD2 LEU 22 2.584 -7.688 8.841 194 H GLU 23 H GLU 23 -1.858 -7.765 8.444 195 HA GLU 23 HA GLU 23 -1.716 -10.567 8.511 196 HB2 GLU 23 2HB GLU 23 -3.782 -8.682 9.722 197 HB3 GLU 23 1HB GLU 23 -3.665 -10.393 10.128 198 HG2 GLU 23 2HG GLU 23 -1.462 -10.082 11.100 199 HG3 GLU 23 1HG GLU 23 -1.395 -8.417 10.526 200 H LEU 24 H LEU 24 -4.105 -8.394 7.088 201 HA LEU 24 HA LEU 24 -5.962 -10.343 6.167 202 HB2 LEU 24 2HB LEU 24 -5.443 -7.560 5.040 203 HB3 LEU 24 1HB LEU 24 -6.893 -8.525 4.792 204 HG LEU 24 HG LEU 24 -5.981 -7.407 7.468 205 HD11 LEU 24 1HD1 LEU 24 -7.844 -5.836 7.285 206 HD12 LEU 24 2HD1 LEU 24 -8.206 -6.439 5.669 207 HD13 LEU 24 3HD1 LEU 24 -6.679 -5.619 5.982 208 HD21 LEU 24 1HD2 LEU 24 -8.180 -8.101 8.318 209 HD22 LEU 24 2HD2 LEU 24 -7.228 -9.479 7.776 210 HD23 LEU 24 3HD2 LEU 24 -8.546 -8.868 6.770 211 H ALA 25 H ALA 25 -3.151 -8.768 4.641 212 HA ALA 25 HA ALA 25 -3.558 -9.729 1.991 213 HB1 ALA 25 1HB ALA 25 -1.288 -8.910 1.545 214 HB2 ALA 25 2HB ALA 25 -0.976 -8.758 3.278 215 HB3 ALA 25 3HB ALA 25 -2.187 -7.733 2.504 216 H GLN 26 H GLN 26 -1.625 -10.947 4.731 217 HA GLN 26 HA GLN 26 -0.482 -13.138 3.248 218 HB2 GLN 26 2HB GLN 26 0.472 -13.881 5.358 219 HB3 GLN 26 1HB GLN 26 0.702 -12.149 5.177 220 HG2 GLN 26 2HG GLN 26 -1.220 -11.763 6.714 221 HG3 GLN 26 1HG GLN 26 -1.354 -13.500 6.952 222 HE21 GLN 26 1HE2 GLN 26 1.687 -11.707 6.730 223 HE22 GLN 26 2HE2 GLN 26 2.155 -11.984 8.367 224 H ARG 27 H ARG 27 -3.329 -12.661 5.269 225 HA ARG 27 HA ARG 27 -4.147 -15.393 5.381 226 HB2 ARG 27 2HB ARG 27 -5.167 -12.828 6.327 227 HB3 ARG 27 1HB ARG 27 -6.480 -13.703 5.568 228 HG2 ARG 27 2HG ARG 27 -4.775 -14.664 7.882 229 HG3 ARG 27 1HG ARG 27 -6.461 -14.143 7.945 230 HD2 ARG 27 2HD ARG 27 -5.394 -16.599 6.500 231 HD3 ARG 27 1HD ARG 27 -6.353 -16.580 7.983 232 HE ARG 27 HE ARG 27 -7.784 -15.239 5.953 233 HH11 ARG 27 1HH1 ARG 27 -6.801 -18.520 6.757 234 HH12 ARG 27 2HH1 ARG 27 -8.138 -19.245 5.921 235 HH21 ARG 27 1HH2 ARG 27 -9.512 -16.206 4.856 236 HH22 ARG 27 2HH2 ARG 27 -9.671 -17.937 4.845 237 H GLY 28 H GLY 28 -4.297 -13.004 2.895 238 HA2 GLY 28 2HA GLY 28 -4.885 -13.332 0.664 239 HA3 GLY 28 1HA GLY 28 -5.729 -14.812 1.086 240 H GLU 29 H GLU 29 -6.555 -12.286 3.161 241 HA GLU 29 HA GLU 29 -9.208 -11.945 2.105 242 HB2 GLU 29 2HB GLU 29 -7.893 -10.229 4.257 243 HB3 GLU 29 1HB GLU 29 -9.609 -10.501 4.004 244 HG2 GLU 29 2HG GLU 29 -7.572 -12.443 5.094 245 HG3 GLU 29 1HG GLU 29 -8.910 -11.696 5.965 246 H TRP 30 H TRP 30 -8.690 -11.150 -0.029 247 HA TRP 30 HA TRP 30 -7.182 -8.768 -0.459 248 HB2 TRP 30 2HB TRP 30 -9.182 -10.043 -2.371 249 HB3 TRP 30 1HB TRP 30 -7.910 -8.898 -2.794 250 HD1 TRP 30 HD1 TRP 30 -8.418 -12.178 -3.638 251 HE1 TRP 30 HE1 TRP 30 -6.339 -13.673 -3.601 252 HE3 TRP 30 HE3 TRP 30 -5.321 -9.280 -0.714 253 HZ2 TRP 30 HZ2 TRP 30 -3.770 -13.671 -2.483 254 HZ3 TRP 30 HZ3 TRP 30 -3.066 -10.118 -0.216 255 HH2 TRP 30 HH2 TRP 30 -2.310 -12.274 -1.085 256 H ASP 31 H ASP 31 -10.658 -9.477 -0.326 257 HA ASP 31 HA ASP 31 -11.759 -7.008 -0.968 258 HB2 ASP 31 2HB ASP 31 -12.723 -9.101 1.040 259 HB3 ASP 31 1HB ASP 31 -13.712 -7.748 0.495 260 H LEU 32 H LEU 32 -10.757 -8.197 2.226 261 HA LEU 32 HA LEU 32 -11.448 -5.869 3.707 262 HB2 LEU 32 2HB LEU 32 -9.499 -8.103 4.406 263 HB3 LEU 32 1HB LEU 32 -10.142 -6.922 5.537 264 HG LEU 32 HG LEU 32 -11.717 -9.103 4.114 265 HD11 LEU 32 1HD1 LEU 32 -11.085 -8.727 7.055 266 HD12 LEU 32 2HD1 LEU 32 -10.352 -9.913 5.974 267 HD13 LEU 32 3HD1 LEU 32 -12.068 -10.018 6.356 268 HD21 LEU 32 1HD2 LEU 32 -12.771 -6.968 6.001 269 HD22 LEU 32 2HD2 LEU 32 -13.685 -8.352 5.392 270 HD23 LEU 32 3HD2 LEU 32 -13.125 -7.112 4.276 271 H LEU 33 H LEU 33 -8.464 -7.013 2.190 272 HA LEU 33 HA LEU 33 -6.636 -5.047 3.033 273 HB2 LEU 33 2HB LEU 33 -5.991 -7.167 1.941 274 HB3 LEU 33 1HB LEU 33 -6.772 -6.660 0.456 275 HG LEU 33 HG LEU 33 -5.056 -4.787 0.280 276 HD11 LEU 33 1HD1 LEU 33 -3.698 -6.260 2.550 277 HD12 LEU 33 2HD1 LEU 33 -4.375 -4.630 2.605 278 HD13 LEU 33 3HD1 LEU 33 -2.985 -4.967 1.579 279 HD21 LEU 33 1HD2 LEU 33 -3.961 -7.616 0.269 280 HD22 LEU 33 2HD2 LEU 33 -3.254 -6.225 -0.558 281 HD23 LEU 33 3HD2 LEU 33 -4.834 -6.828 -1.049 282 H LEU 34 H LEU 34 -8.983 -5.092 0.376 283 HA LEU 34 HA LEU 34 -8.113 -2.719 -0.981 284 HB2 LEU 34 2HB LEU 34 -10.736 -4.259 -1.101 285 HB3 LEU 34 1HB LEU 34 -10.312 -2.955 -2.204 286 HG LEU 34 HG LEU 34 -8.735 -5.541 -1.944 287 HD11 LEU 34 1HD1 LEU 34 -9.723 -6.240 -4.059 288 HD12 LEU 34 2HD1 LEU 34 -10.761 -4.811 -4.067 289 HD13 LEU 34 3HD1 LEU 34 -10.950 -6.038 -2.811 290 HD21 LEU 34 1HD2 LEU 34 -7.664 -4.831 -4.035 291 HD22 LEU 34 2HD2 LEU 34 -7.356 -3.714 -2.710 292 HD23 LEU 34 3HD2 LEU 34 -8.534 -3.298 -3.960 293 H GLN 35 H GLN 35 -10.533 -3.438 1.484 294 HA GLN 35 HA GLN 35 -11.802 -0.926 1.668 295 HB2 GLN 35 2HB GLN 35 -12.606 -3.003 2.803 296 HB3 GLN 35 1HB GLN 35 -11.221 -2.942 3.887 297 HG2 GLN 35 2HG GLN 35 -13.174 -2.093 5.040 298 HG3 GLN 35 1HG GLN 35 -12.042 -0.768 4.778 299 HE21 GLN 35 1HE2 GLN 35 -14.260 -2.127 2.342 300 HE22 GLN 35 2HE2 GLN 35 -15.216 -0.697 2.190 301 H GLN 36 H GLN 36 -8.853 -2.230 3.056 302 HA GLN 36 HA GLN 36 -8.249 0.065 4.708 303 HB2 GLN 36 2HB GLN 36 -6.619 -2.425 4.054 304 HB3 GLN 36 1HB GLN 36 -6.204 -1.234 5.279 305 HG2 GLN 36 2HG GLN 36 -8.689 -2.965 5.327 306 HG3 GLN 36 1HG GLN 36 -7.205 -3.302 6.212 307 HE21 GLN 36 1HE2 GLN 36 -9.912 -2.875 7.215 308 HE22 GLN 36 2HE2 GLN 36 -9.808 -1.554 8.325 309 H GLU 37 H GLU 37 -7.579 -0.927 1.454 310 HA GLU 37 HA GLU 37 -5.098 0.144 0.842 311 HB2 GLU 37 2HB GLU 37 -6.399 -1.205 -0.755 312 HB3 GLU 37 1HB GLU 37 -7.621 0.056 -0.870 313 HG2 GLU 37 2HG GLU 37 -5.804 1.569 -1.837 314 HG3 GLU 37 1HG GLU 37 -4.779 0.139 -1.924 315 H VAL 38 H VAL 38 -8.234 1.761 0.351 316 HA VAL 38 HA VAL 38 -7.213 4.221 -0.534 317 HB VAL 38 HB VAL 38 -9.541 5.112 -0.176 318 HG11 VAL 38 1HG1 VAL 38 -9.422 2.401 -1.554 319 HG12 VAL 38 2HG1 VAL 38 -8.966 3.950 -2.266 320 HG13 VAL 38 3HG1 VAL 38 -10.646 3.647 -1.826 321 HG21 VAL 38 1HG2 VAL 38 -10.139 3.869 1.874 322 HG22 VAL 38 2HG2 VAL 38 -10.144 2.352 0.972 323 HG23 VAL 38 3HG2 VAL 38 -11.338 3.601 0.602 324 H SER 39 H SER 39 -8.168 3.150 2.715 325 HA SER 39 HA SER 39 -8.140 5.724 3.945 326 HB2 SER 39 2HB SER 39 -8.224 4.336 6.081 327 HB3 SER 39 1HB SER 39 -9.501 3.981 4.919 328 HG SER 39 HG SER 39 -8.718 2.038 5.531 329 H TYR 40 H TYR 40 -5.900 2.967 4.004 330 HA TYR 40 HA TYR 40 -3.954 4.009 5.743 331 HB2 TYR 40 2HB TYR 40 -4.057 1.651 5.349 332 HB3 TYR 40 1HB TYR 40 -3.901 1.850 3.610 333 HD1 TYR 40 HD1 TYR 40 -1.916 2.747 6.696 334 HD2 TYR 40 HD2 TYR 40 -1.857 1.161 2.721 335 HE1 TYR 40 HE1 TYR 40 0.490 2.320 6.892 336 HE2 TYR 40 HE2 TYR 40 0.548 0.738 2.923 337 HH TYR 40 HH TYR 40 2.459 1.616 4.260 338 H LEU 41 H LEU 41 -3.961 3.890 2.162 339 HA LEU 41 HA LEU 41 -1.507 5.219 1.788 340 HB2 LEU 41 2HB LEU 41 -3.907 4.968 -0.061 341 HB3 LEU 41 1HB LEU 41 -2.352 5.614 -0.566 342 HG LEU 41 HG LEU 41 -2.812 2.769 0.443 343 HD11 LEU 41 1HD1 LEU 41 -2.440 2.047 -1.867 344 HD12 LEU 41 2HD1 LEU 41 -2.333 3.729 -2.390 345 HD13 LEU 41 3HD1 LEU 41 -3.849 3.100 -1.743 346 HD21 LEU 41 1HD2 LEU 41 -0.294 4.040 -0.691 347 HD22 LEU 41 2HD2 LEU 41 -0.501 2.331 -0.301 348 HD23 LEU 41 3HD2 LEU 41 -0.555 3.535 0.982 349 H GLN 42 H GLN 42 -4.868 6.466 1.947 350 HA GLN 42 HA GLN 42 -4.357 9.197 1.458 351 HB2 GLN 42 2HB GLN 42 -6.626 8.251 1.484 352 HB3 GLN 42 1HB GLN 42 -6.497 7.915 3.206 353 HG2 GLN 42 2HG GLN 42 -6.371 10.363 3.650 354 HG3 GLN 42 1HG GLN 42 -6.540 10.668 1.924 355 HE21 GLN 42 1HE2 GLN 42 -8.536 8.555 1.500 356 HE22 GLN 42 2HE2 GLN 42 -9.995 9.163 2.192 357 H SER 43 H SER 43 -4.133 7.286 4.428 358 HA SER 43 HA SER 43 -3.736 9.368 6.302 359 HB2 SER 43 2HB SER 43 -2.712 6.499 6.402 360 HB3 SER 43 1HB SER 43 -2.806 7.601 7.775 361 HG SER 43 HG SER 43 -5.109 7.076 6.274 362 H ILE 44 H ILE 44 -1.520 7.544 4.227 363 HA ILE 44 HA ILE 44 0.872 8.759 5.229 364 HB ILE 44 HB ILE 44 0.490 7.391 2.526 365 HG12 ILE 44 2HG1 ILE 44 1.375 6.156 5.188 366 HG13 ILE 44 1HG1 ILE 44 -0.212 5.939 4.466 367 HG21 ILE 44 1HG2 ILE 44 2.990 7.926 4.182 368 HG22 ILE 44 2HG2 ILE 44 2.565 8.711 2.658 369 HG23 ILE 44 3HG2 ILE 44 2.941 6.991 2.689 370 HD11 ILE 44 1HD1 ILE 44 2.401 4.972 3.315 371 HD12 ILE 44 2HD1 ILE 44 0.814 4.789 2.563 372 HD13 ILE 44 3HD1 ILE 44 1.156 4.001 4.099 373 H GLU 45 H GLU 45 -1.302 9.520 2.468 374 HA GLU 45 HA GLU 45 0.136 11.645 1.332 375 HB2 GLU 45 2HB GLU 45 -2.787 10.900 1.367 376 HB3 GLU 45 1HB GLU 45 -2.390 12.537 0.876 377 HG2 GLU 45 2HG GLU 45 -2.539 11.376 -1.137 378 HG3 GLU 45 1HG GLU 45 -0.812 11.495 -0.831 379 H THR 46 H THR 46 -2.101 11.646 4.106 380 HA THR 46 HA THR 46 -2.051 14.528 4.326 381 HB THR 46 HB THR 46 -4.101 13.252 4.890 382 HG1 THR 46 HG1 THR 46 -4.213 15.169 5.823 383 HG21 THR 46 1HG2 THR 46 -3.121 11.304 6.054 384 HG22 THR 46 2HG2 THR 46 -4.333 12.106 7.054 385 HG23 THR 46 3HG2 THR 46 -2.615 12.346 7.384 386 H VAL 47 H VAL 47 -0.229 11.857 5.860 387 HA VAL 47 HA VAL 47 1.056 13.685 7.729 388 HB VAL 47 HB VAL 47 2.686 11.955 8.255 389 HG11 VAL 47 1HG1 VAL 47 -0.122 10.812 8.144 390 HG12 VAL 47 2HG1 VAL 47 0.524 11.875 9.397 391 HG13 VAL 47 3HG1 VAL 47 1.188 10.253 9.190 392 HG21 VAL 47 1HG2 VAL 47 2.643 9.725 7.201 393 HG22 VAL 47 2HG2 VAL 47 3.055 10.987 6.039 394 HG23 VAL 47 3HG2 VAL 47 1.434 10.293 6.051 395 H MET 48 H MET 48 1.539 12.891 4.379 396 HA MET 48 HA MET 48 4.151 14.194 4.243 397 HB2 MET 48 2HB MET 48 2.259 13.123 2.112 398 HB3 MET 48 1HB MET 48 3.769 13.947 1.730 399 HG2 MET 48 2HG MET 48 3.522 11.393 3.326 400 HG3 MET 48 1HG MET 48 4.008 11.521 1.641 401 HE1 MET 48 1HE MET 48 5.400 10.782 4.971 402 HE2 MET 48 2HE MET 48 5.077 12.469 5.379 403 HE3 MET 48 3HE MET 48 6.740 11.894 5.256 404 H GLU 49 H GLU 49 0.802 15.112 4.031 405 HA GLU 49 HA GLU 49 1.185 17.639 2.725 406 HB2 GLU 49 2HB GLU 49 -1.009 16.503 2.755 407 HB3 GLU 49 1HB GLU 49 -1.077 16.628 4.509 408 HG2 GLU 49 2HG GLU 49 -2.533 18.290 3.430 409 HG3 GLU 49 1HG GLU 49 -1.256 19.060 4.367 410 H LYS 50 H LYS 50 1.274 16.531 6.098 411 HA LYS 50 HA LYS 50 1.857 19.192 7.162 412 HB2 LYS 50 2HB LYS 50 2.143 18.113 9.337 413 HB3 LYS 50 1HB LYS 50 0.652 17.539 8.597 414 HG2 LYS 50 2HG LYS 50 1.494 15.395 8.221 415 HG3 LYS 50 1HG LYS 50 3.174 15.922 8.244 416 HD2 LYS 50 2HD LYS 50 3.042 16.241 10.693 417 HD3 LYS 50 1HD LYS 50 1.354 15.711 10.678 418 HE2 LYS 50 2HE LYS 50 2.902 13.895 11.360 419 HE3 LYS 50 1HE LYS 50 2.027 13.492 9.885 420 HZ1 LYS 50 1HZ LYS 50 4.358 12.893 9.734 421 HZ2 LYS 50 2HZ LYS 50 4.826 14.492 10.015 422 HZ3 LYS 50 3HZ LYS 50 3.991 14.093 8.601 423 H GLN 51 H GLN 51 3.573 16.689 5.646 424 HA GLN 51 HA GLN 51 5.664 15.901 5.488 425 HB2 GLN 51 2HB GLN 51 6.159 18.243 4.756 426 HB3 GLN 51 1HB GLN 51 6.498 18.678 6.426 427 HG2 GLN 51 2HG GLN 51 8.591 18.382 5.263 428 HG3 GLN 51 1HG GLN 51 8.406 17.063 6.418 429 HE21 GLN 51 1HE2 GLN 51 8.373 17.932 3.029 430 HE22 GLN 51 2HE2 GLN 51 8.513 16.324 2.414 431 H THR 52 H THR 52 6.570 17.997 8.149 432 HA THR 52 HA THR 52 6.129 16.347 10.368 433 HB THR 52 HB THR 52 8.949 16.148 9.200 434 HG1 THR 52 HG1 THR 52 7.987 14.328 8.637 435 HG21 THR 52 1HG2 THR 52 8.138 15.463 12.051 436 HG22 THR 52 2HG2 THR 52 9.218 16.777 11.584 437 HG23 THR 52 3HG2 THR 52 9.701 15.101 11.312 438 HA PRO 53 HA PRO 53 6.795 20.789 11.462 439 HB2 PRO 53 2HB PRO 53 5.716 19.717 14.071 440 HB3 PRO 53 1HB PRO 53 5.226 21.161 13.152 441 HG2 PRO 53 2HG PRO 53 3.675 19.011 13.117 442 HG3 PRO 53 1HG PRO 53 3.947 19.928 11.616 443 HD2 PRO 53 2HD PRO 53 5.210 17.330 12.495 444 HD3 PRO 53 1HD PRO 53 4.574 17.799 10.897 445 HA PRO 54 HA PRO 54 10.850 20.277 13.510 446 HB2 PRO 54 2HB PRO 54 10.396 23.156 14.300 447 HB3 PRO 54 1HB PRO 54 11.793 22.410 13.490 448 HG2 PRO 54 2HG PRO 54 10.105 23.884 12.076 449 HG3 PRO 54 1HG PRO 54 10.740 22.363 11.400 450 HD2 PRO 54 2HD PRO 54 8.039 22.886 12.644 451 HD3 PRO 54 1HD PRO 54 8.442 21.974 11.172 452 H GLY 55 H GLY 55 8.018 21.590 15.187 453 HA2 GLY 55 2HA GLY 55 9.160 21.433 17.849 454 HA3 GLY 55 1HA GLY 55 7.500 21.812 17.431 455 H ILE 56 H ILE 56 9.727 19.011 17.328 456 HA ILE 56 HA ILE 56 7.629 17.261 18.498 457 HB ILE 56 HB ILE 56 9.758 16.455 16.443 458 HG12 ILE 56 2HG1 ILE 56 8.001 17.702 15.303 459 HG13 ILE 56 1HG1 ILE 56 7.839 16.003 14.889 460 HG21 ILE 56 1HG2 ILE 56 7.576 14.747 17.703 461 HG22 ILE 56 2HG2 ILE 56 9.307 14.627 18.026 462 HG23 ILE 56 3HG2 ILE 56 8.681 14.233 16.427 463 HD11 ILE 56 1HD1 ILE 56 5.995 15.848 16.558 464 HD12 ILE 56 2HD1 ILE 56 5.684 16.939 15.210 465 HD13 ILE 56 3HD1 ILE 56 6.128 17.597 16.785 466 H THR 57 H THR 57 8.292 16.588 20.505 467 HA THR 57 HA THR 57 11.017 16.968 21.398 468 HB THR 57 HB THR 57 9.072 17.368 22.917 469 HG1 THR 57 HG1 THR 57 10.200 16.724 24.647 470 HG21 THR 57 1HG2 THR 57 7.619 15.474 22.292 471 HG22 THR 57 2HG2 THR 57 7.941 15.486 24.028 472 HG23 THR 57 3HG2 THR 57 8.786 14.345 22.979 473 H ARG 58 H ARG 58 11.902 15.066 22.822 474 HA ARG 58 HA ARG 58 12.862 13.141 20.977 475 HB2 ARG 58 2HB ARG 58 13.869 12.163 23.330 476 HB3 ARG 58 1HB ARG 58 14.556 13.531 22.478 477 HG2 ARG 58 2HG ARG 58 14.443 13.983 24.867 478 HG3 ARG 58 1HG ARG 58 13.403 15.090 23.979 479 HD2 ARG 58 2HD ARG 58 11.442 13.591 24.620 480 HD3 ARG 58 1HD ARG 58 12.551 12.724 25.689 481 HE ARG 58 HE ARG 58 12.870 15.303 26.451 482 HH11 ARG 58 1HH1 ARG 58 9.970 13.328 26.135 483 HH12 ARG 58 2HH1 ARG 58 9.104 14.187 27.364 484 HH21 ARG 58 1HH2 ARG 58 11.695 16.424 28.061 485 HH22 ARG 58 2HH2 ARG 58 10.076 15.928 28.449 486 H SER 59 H SER 59 10.391 12.926 23.494 487 HA SER 59 HA SER 59 10.224 10.068 23.579 488 HB2 SER 59 2HB SER 59 8.209 12.175 24.457 489 HB3 SER 59 1HB SER 59 8.165 10.467 24.894 490 HG SER 59 HG SER 59 9.969 10.705 26.104 491 H ILE 60 H ILE 60 8.382 12.611 21.962 492 HA ILE 60 HA ILE 60 6.441 10.958 20.710 493 HB ILE 60 HB ILE 60 7.336 13.818 20.131 494 HG12 ILE 60 2HG1 ILE 60 4.827 12.762 21.518 495 HG13 ILE 60 1HG1 ILE 60 6.247 13.376 22.355 496 HG21 ILE 60 1HG2 ILE 60 4.952 12.348 18.941 497 HG22 ILE 60 2HG2 ILE 60 6.372 12.915 18.059 498 HG23 ILE 60 3HG2 ILE 60 5.258 14.079 18.779 499 HD11 ILE 60 1HD1 ILE 60 4.487 15.022 22.307 500 HD12 ILE 60 2HD1 ILE 60 4.435 14.964 20.545 501 HD13 ILE 60 3HD1 ILE 60 5.872 15.580 21.368 502 H GLN 61 H GLN 61 9.538 12.323 19.704 503 HA GLN 61 HA GLN 61 9.606 11.501 17.022 504 HB2 GLN 61 2HB GLN 61 11.129 13.180 17.999 505 HB3 GLN 61 1HB GLN 61 11.882 11.946 19.002 506 HG2 GLN 61 2HG GLN 61 12.707 10.814 16.949 507 HG3 GLN 61 1HG GLN 61 11.978 12.092 15.974 508 HE21 GLN 61 1HE2 GLN 61 12.959 14.135 15.930 509 HE22 GLN 61 2HE2 GLN 61 14.549 14.415 16.548 510 H ASP 62 H ASP 62 10.558 9.857 20.037 511 HA ASP 62 HA ASP 62 11.643 7.494 18.934 512 HB2 ASP 62 2HB ASP 62 12.052 8.028 21.263 513 HB3 ASP 62 1HB ASP 62 10.332 8.035 21.632 514 H MET 63 H MET 63 8.332 8.218 20.109 515 HA MET 63 HA MET 63 7.145 5.710 19.753 516 HB2 MET 63 2HB MET 63 5.781 8.416 19.459 517 HB3 MET 63 1HB MET 63 4.953 6.883 19.685 518 HG2 MET 63 2HG MET 63 6.068 6.698 21.922 519 HG3 MET 63 1HG MET 63 6.689 8.333 21.682 520 HE1 MET 63 1HE MET 63 3.161 10.264 21.293 521 HE2 MET 63 2HE MET 63 3.963 9.436 19.962 522 HE3 MET 63 3HE MET 63 4.900 10.434 21.076 523 H VAL 64 H VAL 64 7.219 8.503 17.545 524 HA VAL 64 HA VAL 64 5.668 7.209 15.528 525 HB VAL 64 HB VAL 64 6.071 9.168 14.120 526 HG11 VAL 64 1HG1 VAL 64 5.005 10.861 15.546 527 HG12 VAL 64 2HG1 VAL 64 5.451 9.959 16.996 528 HG13 VAL 64 3HG1 VAL 64 4.303 9.270 15.845 529 HG21 VAL 64 1HG2 VAL 64 8.441 9.569 14.675 530 HG22 VAL 64 2HG2 VAL 64 7.981 10.131 16.281 531 HG23 VAL 64 3HG2 VAL 64 7.482 11.038 14.854 532 H ALA 65 H ALA 65 9.179 7.593 16.033 533 HA ALA 65 HA ALA 65 10.015 6.621 13.500 534 HB1 ALA 65 1HB ALA 65 12.158 6.101 14.587 535 HB2 ALA 65 2HB ALA 65 11.419 6.313 16.178 536 HB3 ALA 65 3HB ALA 65 11.573 7.691 15.085 537 H GLY 66 H GLY 66 9.082 4.985 16.516 538 HA2 GLY 66 2HA GLY 66 9.470 2.294 15.733 539 HA3 GLY 66 1HA GLY 66 8.326 2.860 16.946 540 H TYR 67 H TYR 67 6.689 4.499 15.376 541 HA TYR 67 HA TYR 67 4.867 2.633 14.266 542 HB2 TYR 67 2HB TYR 67 4.919 5.678 14.087 543 HB3 TYR 67 1HB TYR 67 3.577 4.689 13.515 544 HD1 TYR 67 HD1 TYR 67 3.986 6.888 15.933 545 HD2 TYR 67 HD2 TYR 67 3.339 2.664 15.712 546 HE1 TYR 67 HE1 TYR 67 2.971 6.922 18.169 547 HE2 TYR 67 HE2 TYR 67 2.319 2.709 17.940 548 HH TYR 67 HH TYR 67 2.289 4.051 19.925 549 H ILE 68 H ILE 68 7.220 4.829 12.767 550 HA ILE 68 HA ILE 68 6.353 4.399 10.065 551 HB ILE 68 HB ILE 68 9.039 5.519 11.025 552 HG12 ILE 68 2HG1 ILE 68 6.575 7.054 10.075 553 HG13 ILE 68 1HG1 ILE 68 7.037 6.878 11.756 554 HG21 ILE 68 1HG2 ILE 68 9.234 6.468 8.727 555 HG22 ILE 68 2HG2 ILE 68 7.741 5.647 8.271 556 HG23 ILE 68 3HG2 ILE 68 9.167 4.702 8.698 557 HD11 ILE 68 1HD1 ILE 68 8.668 8.287 9.641 558 HD12 ILE 68 2HD1 ILE 68 9.084 8.130 11.350 559 HD13 ILE 68 3HD1 ILE 68 7.661 9.052 10.872 560 H LYS 69 H LYS 69 8.897 3.012 12.177 561 HA LYS 69 HA LYS 69 10.182 1.409 10.243 562 HB2 LYS 69 2HB LYS 69 11.034 1.881 12.604 563 HB3 LYS 69 1HB LYS 69 9.881 0.686 13.191 564 HG2 LYS 69 2HG LYS 69 11.016 -0.971 11.546 565 HG3 LYS 69 1HG LYS 69 12.292 0.238 11.400 566 HD2 LYS 69 2HD LYS 69 12.975 -1.414 13.035 567 HD3 LYS 69 1HD LYS 69 12.641 0.095 13.890 568 HE2 LYS 69 2HE LYS 69 10.439 -0.772 14.578 569 HE3 LYS 69 1HE LYS 69 10.721 -2.253 13.662 570 HZ1 LYS 69 1HZ LYS 69 11.140 -2.482 16.062 571 HZ2 LYS 69 2HZ LYS 69 12.400 -1.358 15.942 572 HZ3 LYS 69 3HZ LYS 69 12.499 -2.834 15.121 573 H GLN 70 H GLN 70 7.383 0.778 12.362 574 HA GLN 70 HA GLN 70 6.870 -1.910 11.714 575 HB2 GLN 70 2HB GLN 70 4.938 0.308 12.500 576 HB3 GLN 70 1HB GLN 70 4.449 -1.374 12.319 577 HG2 GLN 70 2HG GLN 70 6.004 -2.010 14.125 578 HG3 GLN 70 1HG GLN 70 6.469 -0.320 14.310 579 HE21 GLN 70 1HE2 GLN 70 3.147 -1.449 13.705 580 HE22 GLN 70 2HE2 GLN 70 2.532 -0.957 15.240 581 H THR 71 H THR 71 5.599 1.104 10.291 582 HA THR 71 HA THR 71 3.885 -0.212 8.471 583 HB THR 71 HB THR 71 3.668 2.203 9.385 584 HG1 THR 71 HG1 THR 71 3.206 1.483 6.675 585 HG21 THR 71 1HG2 THR 71 5.846 3.121 8.609 586 HG22 THR 71 2HG2 THR 71 4.481 4.016 7.949 587 HG23 THR 71 3HG2 THR 71 5.349 2.863 6.936 588 H LEU 72 H LEU 72 7.238 0.866 8.234 589 HA LEU 72 HA LEU 72 7.575 0.610 5.418 590 HB2 LEU 72 2HB LEU 72 9.560 0.441 7.726 591 HB3 LEU 72 1HB LEU 72 10.060 0.338 6.045 592 HG LEU 72 HG LEU 72 8.659 2.747 7.271 593 HD11 LEU 72 1HD1 LEU 72 10.826 3.875 7.165 594 HD12 LEU 72 2HD1 LEU 72 11.596 2.391 6.601 595 HD13 LEU 72 3HD1 LEU 72 10.899 2.466 8.221 596 HD21 LEU 72 1HD2 LEU 72 8.196 2.530 4.885 597 HD22 LEU 72 2HD2 LEU 72 9.919 2.373 4.534 598 HD23 LEU 72 3HD2 LEU 72 9.282 3.885 5.179 599 H ASP 73 H ASP 73 8.097 -1.592 8.147 600 HA ASP 73 HA ASP 73 9.225 -3.756 6.711 601 HB2 ASP 73 2HB ASP 73 9.463 -3.437 9.178 602 HB3 ASP 73 1HB ASP 73 7.745 -3.763 9.386 603 H ASN 74 H ASN 74 5.907 -3.090 7.836 604 HA ASN 74 HA ASN 74 4.664 -5.447 6.916 605 HB2 ASN 74 2HB ASN 74 3.434 -2.683 7.318 606 HB3 ASN 74 1HB ASN 74 2.529 -4.186 7.164 607 HD21 ASN 74 1HD2 ASN 74 4.419 -5.721 8.877 608 HD22 ASN 74 2HD2 ASN 74 4.107 -5.178 10.484 609 H GLU 75 H GLU 75 5.054 -2.242 5.466 610 HA GLU 75 HA GLU 75 3.559 -2.763 3.089 611 HB2 GLU 75 2HB GLU 75 3.764 -0.567 4.165 612 HB3 GLU 75 1HB GLU 75 5.485 -0.537 3.812 613 HG2 GLU 75 2HG GLU 75 5.083 -0.276 1.469 614 HG3 GLU 75 1HG GLU 75 3.362 -0.627 1.657 615 H GLN 76 H GLN 76 6.889 -3.182 3.983 616 HA GLN 76 HA GLN 76 8.012 -3.632 1.402 617 HB2 GLN 76 2HB GLN 76 9.444 -3.256 3.347 618 HB3 GLN 76 1HB GLN 76 8.784 -4.663 4.169 619 HG2 GLN 76 2HG GLN 76 9.822 -6.133 2.473 620 HG3 GLN 76 1HG GLN 76 10.486 -4.721 1.653 621 HE21 GLN 76 1HE2 GLN 76 10.352 -5.146 5.185 622 HE22 GLN 76 2HE2 GLN 76 12.061 -5.255 5.400 623 H LEU 77 H LEU 77 6.535 -5.752 3.855 624 HA LEU 77 HA LEU 77 6.792 -8.182 2.376 625 HB2 LEU 77 2HB LEU 77 4.927 -7.478 4.667 626 HB3 LEU 77 1HB LEU 77 5.256 -9.110 4.098 627 HG LEU 77 HG LEU 77 7.326 -7.239 5.326 628 HD11 LEU 77 1HD1 LEU 77 7.273 -8.668 7.293 629 HD12 LEU 77 2HD1 LEU 77 5.997 -9.654 6.575 630 HD13 LEU 77 3HD1 LEU 77 5.684 -7.967 6.988 631 HD21 LEU 77 1HD2 LEU 77 7.594 -10.144 4.491 632 HD22 LEU 77 2HD2 LEU 77 8.805 -9.212 5.374 633 HD23 LEU 77 3HD2 LEU 77 8.371 -8.749 3.732 634 H LEU 78 H LEU 78 4.336 -5.646 2.476 635 HA LEU 78 HA LEU 78 2.334 -6.896 0.889 636 HB2 LEU 78 2HB LEU 78 3.074 -3.946 1.050 637 HB3 LEU 78 1HB LEU 78 1.608 -4.573 0.312 638 HG LEU 78 HG LEU 78 2.295 -4.772 3.266 639 HD11 LEU 78 1HD1 LEU 78 1.871 -2.454 2.482 640 HD12 LEU 78 2HD1 LEU 78 0.669 -3.036 3.624 641 HD13 LEU 78 3HD1 LEU 78 0.280 -2.962 1.904 642 HD21 LEU 78 1HD2 LEU 78 -0.035 -5.523 3.551 643 HD22 LEU 78 2HD2 LEU 78 0.885 -6.642 2.550 644 HD23 LEU 78 3HD2 LEU 78 -0.259 -5.525 1.800 645 H LYS 79 H LYS 79 5.129 -4.829 0.114 646 HA LYS 79 HA LYS 79 4.799 -4.508 -2.617 647 HB2 LYS 79 2HB LYS 79 6.440 -3.222 -1.345 648 HB3 LYS 79 1HB LYS 79 7.361 -4.678 -0.985 649 HG2 LYS 79 2HG LYS 79 7.999 -4.913 -3.339 650 HG3 LYS 79 1HG LYS 79 7.000 -3.523 -3.777 651 HD2 LYS 79 2HD LYS 79 8.438 -2.003 -2.557 652 HD3 LYS 79 1HD LYS 79 9.324 -3.340 -1.819 653 HE2 LYS 79 2HE LYS 79 10.605 -2.251 -3.646 654 HE3 LYS 79 1HE LYS 79 10.281 -3.952 -3.976 655 HZ1 LYS 79 1HZ LYS 79 8.520 -3.321 -5.466 656 HZ2 LYS 79 2HZ LYS 79 9.937 -2.519 -5.918 657 HZ3 LYS 79 3HZ LYS 79 8.722 -1.687 -5.094 658 H GLY 80 H GLY 80 6.618 -7.090 -0.895 659 HA2 GLY 80 2HA GLY 80 7.428 -8.533 -3.203 660 HA3 GLY 80 1HA GLY 80 7.356 -9.158 -1.565 661 H LEU 81 H LEU 81 4.831 -9.284 -0.857 662 HA LEU 81 HA LEU 81 3.948 -11.653 -2.075 663 HB2 LEU 81 2HB LEU 81 3.614 -10.886 0.307 664 HB3 LEU 81 1HB LEU 81 2.365 -9.796 -0.249 665 HG LEU 81 HG LEU 81 2.137 -12.829 -0.590 666 HD11 LEU 81 1HD1 LEU 81 0.760 -12.881 1.441 667 HD12 LEU 81 2HD1 LEU 81 1.103 -11.174 1.740 668 HD13 LEU 81 3HD1 LEU 81 2.406 -12.365 1.800 669 HD21 LEU 81 1HD2 LEU 81 -0.296 -12.400 -0.725 670 HD22 LEU 81 2HD2 LEU 81 0.575 -11.543 -1.991 671 HD23 LEU 81 3HD2 LEU 81 -0.001 -10.661 -0.577 672 H LEU 82 H LEU 82 2.576 -8.357 -2.251 673 HA LEU 82 HA LEU 82 0.420 -9.081 -3.972 674 HB2 LEU 82 2HB LEU 82 1.492 -6.297 -3.389 675 HB3 LEU 82 1HB LEU 82 -0.057 -6.669 -4.130 676 HG LEU 82 HG LEU 82 0.760 -7.254 -1.254 677 HD11 LEU 82 1HD1 LEU 82 -0.981 -5.627 -0.654 678 HD12 LEU 82 2HD1 LEU 82 -1.289 -5.309 -2.364 679 HD13 LEU 82 3HD1 LEU 82 0.275 -4.896 -1.653 680 HD21 LEU 82 1HD2 LEU 82 -0.660 -9.070 -2.079 681 HD22 LEU 82 2HD2 LEU 82 -1.872 -7.906 -2.618 682 HD23 LEU 82 3HD2 LEU 82 -1.520 -8.083 -0.898 683 H GLN 83 H GLN 83 3.751 -7.911 -4.567 684 HA GLN 83 HA GLN 83 3.435 -7.275 -7.317 685 HB2 GLN 83 2HB GLN 83 5.459 -6.705 -5.982 686 HB3 GLN 83 1HB GLN 83 5.901 -8.405 -5.927 687 HG2 GLN 83 2HG GLN 83 6.249 -8.417 -8.348 688 HG3 GLN 83 1HG GLN 83 5.705 -6.743 -8.455 689 HE21 GLN 83 1HE2 GLN 83 7.825 -8.007 -5.894 690 HE22 GLN 83 2HE2 GLN 83 9.216 -7.109 -6.382 691 H GLN 84 H GLN 84 4.068 -10.330 -5.631 692 HA GLN 84 HA GLN 84 4.396 -12.042 -7.862 693 HB2 GLN 84 2HB GLN 84 3.117 -12.737 -5.177 694 HB3 GLN 84 1HB GLN 84 3.797 -13.879 -6.333 695 HG2 GLN 84 2HG GLN 84 6.039 -12.971 -5.955 696 HG3 GLN 84 1HG GLN 84 5.379 -11.755 -4.868 697 HE21 GLN 84 1HE2 GLN 84 4.427 -15.176 -4.970 698 HE22 GLN 84 2HE2 GLN 84 5.024 -15.556 -3.397 699 H ARG 85 H ARG 85 1.517 -11.163 -5.949 700 HA ARG 85 HA ARG 85 -0.487 -12.512 -7.318 701 HB2 ARG 85 2HB ARG 85 -0.619 -9.783 -5.980 702 HB3 ARG 85 1HB ARG 85 -2.029 -10.717 -6.456 703 HG2 ARG 85 2HG ARG 85 0.022 -11.765 -4.497 704 HG3 ARG 85 1HG ARG 85 -1.359 -10.788 -3.997 705 HD2 ARG 85 2HD ARG 85 -2.049 -12.993 -3.656 706 HD3 ARG 85 1HD ARG 85 -2.821 -12.542 -5.170 707 HE ARG 85 HE ARG 85 -0.523 -13.820 -5.949 708 HH11 ARG 85 1HH1 ARG 85 -3.232 -14.688 -3.846 709 HH12 ARG 85 2HH1 ARG 85 -3.099 -16.385 -4.184 710 HH21 ARG 85 1HH2 ARG 85 -0.382 -16.052 -6.364 711 HH22 ARG 85 2HH2 ARG 85 -1.486 -17.162 -5.606 712 H LEU 86 H LEU 86 0.847 -9.275 -7.960 713 HA LEU 86 HA LEU 86 -0.909 -8.552 -10.053 714 HB2 LEU 86 2HB LEU 86 1.869 -7.523 -9.338 715 HB3 LEU 86 1HB LEU 86 0.873 -6.807 -10.597 716 HG LEU 86 HG LEU 86 0.185 -6.915 -7.637 717 HD11 LEU 86 1HD1 LEU 86 0.966 -4.561 -9.374 718 HD12 LEU 86 2HD1 LEU 86 1.955 -5.314 -8.118 719 HD13 LEU 86 3HD1 LEU 86 0.464 -4.483 -7.681 720 HD21 LEU 86 1HD2 LEU 86 -1.390 -5.693 -9.924 721 HD22 LEU 86 2HD2 LEU 86 -1.754 -5.514 -8.207 722 HD23 LEU 86 3HD2 LEU 86 -1.851 -7.101 -8.959 723 H ASP 87 H ASP 87 2.263 -10.141 -10.025 724 HA ASP 87 HA ASP 87 2.776 -10.093 -12.816 725 HB2 ASP 87 2HB ASP 87 4.532 -10.566 -11.095 726 HB3 ASP 87 1HB ASP 87 3.750 -12.098 -10.712 727 H GLU 88 H GLU 88 1.168 -12.420 -10.687 728 HA GLU 88 HA GLU 88 0.665 -14.481 -12.567 729 HB2 GLU 88 2HB GLU 88 -0.718 -13.793 -9.940 730 HB3 GLU 88 1HB GLU 88 -0.987 -15.288 -10.835 731 HG2 GLU 88 2HG GLU 88 1.296 -16.006 -10.494 732 HG3 GLU 88 1HG GLU 88 1.747 -14.433 -9.841 733 H LEU 89 H LEU 89 -1.486 -11.939 -11.244 734 HA LEU 89 HA LEU 89 -3.741 -12.553 -12.839 735 HB2 LEU 89 2HB LEU 89 -3.038 -9.950 -11.412 736 HB3 LEU 89 1HB LEU 89 -4.621 -10.336 -12.071 737 HG LEU 89 HG LEU 89 -3.278 -11.915 -9.836 738 HD11 LEU 89 1HD1 LEU 89 -5.457 -9.820 -9.625 739 HD12 LEU 89 2HD1 LEU 89 -3.784 -9.647 -9.087 740 HD13 LEU 89 3HD1 LEU 89 -4.841 -10.820 -8.305 741 HD21 LEU 89 1HD2 LEU 89 -5.503 -12.919 -9.490 742 HD22 LEU 89 2HD2 LEU 89 -4.869 -13.281 -11.094 743 HD23 LEU 89 3HD2 LEU 89 -6.124 -12.053 -10.900 744 H SER 90 H SER 90 -0.999 -10.381 -13.370 745 HA SER 90 HA SER 90 -1.971 -8.989 -15.646 746 HB2 SER 90 2HB SER 90 0.014 -8.227 -14.378 747 HB3 SER 90 1HB SER 90 0.909 -9.660 -14.876 748 HG SER 90 HG SER 90 1.470 -8.531 -16.543 749 H SER 91 H SER 91 -0.096 -12.000 -15.253 750 HA SER 91 HA SER 91 0.227 -12.648 -17.980 751 HB2 SER 91 2HB SER 91 1.507 -13.714 -16.120 752 HB3 SER 91 1HB SER 91 0.043 -14.549 -15.601 753 HG SER 91 HG SER 91 0.123 -15.817 -17.365 754 H LEU 92 H LEU 92 -2.350 -13.410 -15.627 755 HA LEU 92 HA LEU 92 -3.810 -15.248 -17.204 756 HB2 LEU 92 2HB LEU 92 -4.740 -13.496 -14.895 757 HB3 LEU 92 1HB LEU 92 -5.673 -14.825 -15.567 758 HG LEU 92 HG LEU 92 -2.975 -15.093 -14.184 759 HD11 LEU 92 1HD1 LEU 92 -4.174 -16.187 -12.367 760 HD12 LEU 92 2HD1 LEU 92 -5.713 -15.914 -13.191 761 HD13 LEU 92 3HD1 LEU 92 -4.767 -14.543 -12.609 762 HD21 LEU 92 1HD2 LEU 92 -3.349 -17.528 -14.324 763 HD22 LEU 92 2HD2 LEU 92 -3.188 -16.782 -15.910 764 HD23 LEU 92 3HD2 LEU 92 -4.784 -17.247 -15.312 765 H ILE 93 H ILE 93 -4.233 -11.744 -16.700 766 HA ILE 93 HA ILE 93 -6.392 -11.283 -18.461 767 HB ILE 93 HB ILE 93 -4.080 -9.416 -17.709 768 HG12 ILE 93 2HG1 ILE 93 -6.914 -9.481 -16.573 769 HG13 ILE 93 1HG1 ILE 93 -5.528 -10.233 -15.795 770 HG21 ILE 93 1HG2 ILE 93 -6.729 -8.690 -19.023 771 HG22 ILE 93 2HG2 ILE 93 -5.136 -8.603 -19.779 772 HG23 ILE 93 3HG2 ILE 93 -5.535 -7.532 -18.434 773 HD11 ILE 93 1HD1 ILE 93 -4.462 -8.026 -15.592 774 HD12 ILE 93 2HD1 ILE 93 -6.015 -8.120 -14.765 775 HD13 ILE 93 3HD1 ILE 93 -5.895 -7.283 -16.312 776 H GLY 94 H GLY 94 -2.878 -11.397 -18.940 777 HA2 GLY 94 2HA GLY 94 -2.761 -10.526 -21.620 778 HA3 GLY 94 1HA GLY 94 -1.531 -11.451 -20.779 779 H GLN 95 H GLN 95 -3.473 -13.694 -20.262 780 HA GLN 95 HA GLN 95 -3.031 -15.125 -22.767 781 HB2 GLN 95 2HB GLN 95 -4.178 -16.118 -20.121 782 HB3 GLN 95 1HB GLN 95 -3.770 -17.136 -21.494 783 HG2 GLN 95 2HG GLN 95 -1.792 -15.503 -19.885 784 HG3 GLN 95 1HG GLN 95 -2.071 -17.226 -19.698 785 HE21 GLN 95 1HE2 GLN 95 -1.231 -18.643 -21.241 786 HE22 GLN 95 2HE2 GLN 95 -0.078 -18.159 -22.433 787 H VAL 96 H VAL 96 -5.852 -14.159 -20.756 788 HA VAL 96 HA VAL 96 -7.712 -15.535 -22.547 789 HB VAL 96 HB VAL 96 -9.507 -14.923 -20.992 790 HG11 VAL 96 1HG1 VAL 96 -8.760 -16.195 -19.019 791 HG12 VAL 96 2HG1 VAL 96 -7.078 -16.015 -19.526 792 HG13 VAL 96 3HG1 VAL 96 -8.206 -16.944 -20.518 793 HG21 VAL 96 1HG2 VAL 96 -8.781 -12.680 -20.287 794 HG22 VAL 96 2HG2 VAL 96 -7.420 -13.367 -19.403 795 HG23 VAL 96 3HG2 VAL 96 -9.071 -13.697 -18.873 796 H LEU 97 H LEU 97 -6.731 -12.220 -21.862 797 HA LEU 97 HA LEU 97 -8.850 -11.116 -23.574 798 HB2 LEU 97 2HB LEU 97 -7.944 -10.141 -21.259 799 HB3 LEU 97 1HB LEU 97 -6.680 -9.456 -22.255 800 HG LEU 97 HG LEU 97 -9.662 -8.839 -22.411 801 HD11 LEU 97 1HD1 LEU 97 -7.335 -7.088 -21.562 802 HD12 LEU 97 2HD1 LEU 97 -8.553 -7.803 -20.502 803 HD13 LEU 97 3HD1 LEU 97 -9.026 -6.585 -21.683 804 HD21 LEU 97 1HD2 LEU 97 -8.767 -8.740 -24.683 805 HD22 LEU 97 2HD2 LEU 97 -7.468 -7.673 -24.149 806 HD23 LEU 97 3HD2 LEU 97 -9.144 -7.120 -24.094 807 H PHE 98 H PHE 98 -8.398 -11.392 -25.674 808 HA PHE 98 HA PHE 98 -5.758 -10.844 -26.809 809 HB2 PHE 98 2HB PHE 98 -8.401 -11.449 -28.232 810 HB3 PHE 98 1HB PHE 98 -6.803 -11.430 -28.971 811 HD1 PHE 98 HD1 PHE 98 -5.096 -13.170 -28.155 812 HD2 PHE 98 HD2 PHE 98 -9.273 -13.474 -27.306 813 HE1 PHE 98 HE1 PHE 98 -4.835 -15.576 -27.709 814 HE2 PHE 98 HE2 PHE 98 -9.003 -15.875 -26.844 815 HZ PHE 98 HZ PHE 98 -6.786 -16.927 -27.045 816 H GLN 99 H GLN 99 -5.394 -8.679 -26.467 817 HA GLN 99 HA GLN 99 -7.483 -6.685 -26.661 818 HB2 GLN 99 2HB GLN 99 -5.464 -5.091 -26.158 819 HB3 GLN 99 1HB GLN 99 -6.012 -6.204 -24.919 820 HG2 GLN 99 2HG GLN 99 -3.615 -6.157 -24.906 821 HG3 GLN 99 1HG GLN 99 -4.145 -7.734 -25.474 822 HE21 GLN 99 1HE2 GLN 99 -4.031 -4.846 -27.534 823 HE22 GLN 99 2HE2 GLN 99 -2.712 -5.388 -28.502 824 H GLY 100 H GLY 100 -6.082 -8.190 -29.119 825 HA2 GLY 100 2HA GLY 100 -6.870 -6.466 -31.107 826 HA3 GLY 100 1HA GLY 100 -5.176 -6.081 -30.813 827 HA PRO 101 HA PRO 101 -3.934 -9.517 -33.361 828 HB2 PRO 101 2HB PRO 101 -1.671 -10.470 -32.115 829 HB3 PRO 101 1HB PRO 101 -1.711 -8.924 -32.984 830 HG2 PRO 101 2HG PRO 101 -1.910 -9.418 -30.034 831 HG3 PRO 101 1HG PRO 101 -0.995 -8.169 -30.907 832 HD2 PRO 101 2HD PRO 101 -3.393 -7.646 -29.724 833 HD3 PRO 101 1HD PRO 101 -2.853 -6.805 -31.196 834 H SER 102 H SER 102 -3.799 -11.822 -33.523 835 HA SER 102 HA SER 102 -4.543 -13.927 -33.253 836 HB2 SER 102 2HB SER 102 -4.125 -13.379 -30.278 837 HB3 SER 102 1HB SER 102 -4.403 -14.974 -30.984 838 HG SER 102 HG SER 102 -2.214 -13.228 -31.468 839 H ALA 103 H ALA 103 -6.392 -11.640 -33.288 840 HA ALA 103 HA ALA 103 -8.844 -13.128 -32.556 841 HB1 ALA 103 1HB ALA 103 -9.930 -11.021 -31.841 842 HB2 ALA 103 2HB ALA 103 -8.410 -10.148 -32.057 843 HB3 ALA 103 3HB ALA 103 -8.542 -11.400 -30.821 844 H GLY 104 H GLY 104 -10.291 -13.191 -34.196 845 HA2 GLY 104 2HA GLY 104 -9.592 -12.332 -36.823 846 HA3 GLY 104 1HA GLY 104 -11.122 -13.044 -36.337 847 H LEU 105 H LEU 105 -11.213 -10.699 -34.295 848 HA LEU 105 HA LEU 105 -11.941 -8.483 -36.103 849 HB2 LEU 105 2HB LEU 105 -13.977 -8.102 -34.594 850 HB3 LEU 105 1HB LEU 105 -14.047 -9.457 -35.699 851 HG LEU 105 HG LEU 105 -13.399 -10.961 -33.693 852 HD11 LEU 105 1HD1 LEU 105 -14.197 -8.531 -32.069 853 HD12 LEU 105 2HD1 LEU 105 -12.603 -9.281 -32.124 854 HD13 LEU 105 3HD1 LEU 105 -13.963 -10.164 -31.438 855 HD21 LEU 105 1HD2 LEU 105 -15.639 -10.953 -34.652 856 HD22 LEU 105 2HD2 LEU 105 -16.095 -9.580 -33.643 857 HD23 LEU 105 3HD2 LEU 105 -15.714 -11.136 -32.900 858 H VAL 106 H VAL 106 -12.224 -6.409 -34.875 859 HA VAL 106 HA VAL 106 -10.043 -6.052 -32.968 860 HB VAL 106 HB VAL 106 -11.817 -3.926 -34.262 861 HG11 VAL 106 1HG1 VAL 106 -9.149 -3.619 -32.820 862 HG12 VAL 106 2HG1 VAL 106 -10.724 -3.140 -32.184 863 HG13 VAL 106 3HG1 VAL 106 -10.059 -2.320 -33.598 864 HG21 VAL 106 1HG2 VAL 106 -10.572 -5.173 -35.984 865 HG22 VAL 106 2HG2 VAL 106 -9.058 -4.879 -35.128 866 HG23 VAL 106 3HG2 VAL 106 -9.950 -3.529 -35.834 867 HA PRO 107 HA PRO 107 -13.324 -6.116 -29.750 868 HB2 PRO 107 2HB PRO 107 -11.784 -6.849 -27.665 869 HB3 PRO 107 1HB PRO 107 -12.043 -7.981 -29.010 870 HG2 PRO 107 2HG PRO 107 -9.664 -6.234 -28.460 871 HG3 PRO 107 1HG PRO 107 -9.713 -7.934 -28.976 872 HD2 PRO 107 2HD PRO 107 -9.347 -5.776 -30.702 873 HD3 PRO 107 1HD PRO 107 -9.929 -7.380 -31.198 874 H ARG 108 H ARG 108 -12.462 -3.597 -30.638 875 HA ARG 108 HA ARG 108 -11.318 -1.981 -28.562 876 HB2 ARG 108 2HB ARG 108 -10.994 -1.528 -30.982 877 HB3 ARG 108 1HB ARG 108 -12.715 -1.208 -31.161 878 HG2 ARG 108 2HG ARG 108 -12.515 0.766 -29.706 879 HG3 ARG 108 1HG ARG 108 -10.803 0.420 -29.447 880 HD2 ARG 108 2HD ARG 108 -12.061 1.044 -32.142 881 HD3 ARG 108 1HD ARG 108 -11.196 2.213 -31.140 882 HE ARG 108 HE ARG 108 -9.397 0.201 -31.441 883 HH11 ARG 108 1HH1 ARG 108 -11.230 2.066 -33.797 884 HH12 ARG 108 2HH1 ARG 108 -10.018 1.914 -35.030 885 HH21 ARG 108 1HH2 ARG 108 -7.837 0.012 -33.054 886 HH22 ARG 108 2HH2 ARG 108 -8.093 0.747 -34.605 887 H GLY 109 H GLY 109 -12.652 -2.282 -26.778 888 HA2 GLY 109 2HA GLY 109 -15.186 -0.795 -26.737 889 HA3 GLY 109 1HA GLY 109 -15.253 -2.507 -26.343 890 H SER 110 H SER 110 -14.846 0.574 -25.090 891 HA SER 110 HA SER 110 -13.196 -0.002 -22.806 892 HB2 SER 110 2HB SER 110 -15.114 2.319 -23.308 893 HB3 SER 110 1HB SER 110 -13.898 2.250 -22.027 894 HG SER 110 HG SER 110 -12.644 3.115 -23.476 895 H GLY 111 H GLY 111 -16.515 -0.520 -23.581 896 HA2 GLY 111 2HA GLY 111 -17.586 -0.795 -20.929 897 HA3 GLY 111 1HA GLY 111 -18.283 -1.404 -22.424 898 H GLY 112 H GLY 112 -15.680 -2.824 -23.027 899 HA2 GLY 112 2HA GLY 112 -14.433 -4.604 -21.810 900 HA3 GLY 112 1HA GLY 112 -15.993 -5.161 -21.210 901 H ILE 113 H ILE 113 -15.403 -7.200 -22.146 902 HA ILE 113 HA ILE 113 -15.365 -7.465 -25.082 903 HB ILE 113 HB ILE 113 -14.921 -9.672 -22.991 904 HG12 ILE 113 2HG1 ILE 113 -12.393 -9.370 -23.733 905 HG13 ILE 113 1HG1 ILE 113 -12.892 -7.753 -24.201 906 HG21 ILE 113 1HG2 ILE 113 -13.817 -10.916 -24.833 907 HG22 ILE 113 2HG2 ILE 113 -14.185 -9.595 -25.942 908 HG23 ILE 113 3HG2 ILE 113 -15.497 -10.532 -25.226 909 HD11 ILE 113 1HD1 ILE 113 -11.849 -7.775 -22.013 910 HD12 ILE 113 2HD1 ILE 113 -13.038 -8.940 -21.432 911 HD13 ILE 113 3HD1 ILE 113 -13.545 -7.306 -21.869 912 H GLU 114 H GLU 114 -16.783 -9.195 -26.034 913 HA GLU 114 HA GLU 114 -19.455 -9.330 -24.892 914 HB2 GLU 114 2HB GLU 114 -20.011 -10.597 -26.949 915 HB3 GLU 114 1HB GLU 114 -19.169 -9.098 -27.326 916 HG2 GLU 114 2HG GLU 114 -17.046 -10.429 -27.568 917 HG3 GLU 114 1HG GLU 114 -17.999 -11.899 -27.370 918 H GLY 115 H GLY 115 -20.454 -11.180 -24.034 919 HA2 GLY 115 2HA GLY 115 -20.743 -13.434 -23.456 920 HA3 GLY 115 1HA GLY 115 -19.106 -13.779 -23.989 921 H SER 428 H SER 428 -19.272 -15.067 -21.927 922 HA SER 428 HA SER 428 -19.201 -13.686 -19.379 923 HB2 SER 428 2HB SER 428 -20.241 -15.951 -19.681 924 HB3 SER 428 1HB SER 428 -18.640 -16.627 -19.984 925 HG SER 428 HG SER 428 -19.405 -15.249 -17.613 926 H ILE 429 H ILE 429 -16.834 -14.527 -21.748 927 HA ILE 429 HA ILE 429 -14.496 -14.685 -20.168 928 HB ILE 429 HB ILE 429 -14.470 -15.336 -22.522 929 HG12 ILE 429 2HG1 ILE 429 -12.306 -14.283 -21.372 930 HG13 ILE 429 1HG1 ILE 429 -12.283 -14.711 -23.073 931 HG21 ILE 429 1HG2 ILE 429 -14.560 -13.726 -24.384 932 HG22 ILE 429 2HG2 ILE 429 -14.906 -12.428 -23.241 933 HG23 ILE 429 3HG2 ILE 429 -16.056 -13.750 -23.444 934 HD11 ILE 429 1HD1 ILE 429 -12.624 -11.924 -21.951 935 HD12 ILE 429 2HD1 ILE 429 -12.590 -12.343 -23.666 936 HD13 ILE 429 3HD1 ILE 429 -11.163 -12.603 -22.666 937 H ASP 430 H ASP 430 -16.465 -11.956 -21.160 938 HA ASP 430 HA ASP 430 -14.819 -9.804 -20.452 939 HB2 ASP 430 2HB ASP 430 -16.914 -9.458 -21.630 940 HB3 ASP 430 1HB ASP 430 -17.839 -10.144 -20.295 941 H GLU 431 H GLU 431 -17.009 -11.815 -18.489 942 HA GLU 431 HA GLU 431 -16.668 -10.428 -16.031 943 HB2 GLU 431 2HB GLU 431 -17.546 -13.311 -16.505 944 HB3 GLU 431 1HB GLU 431 -17.717 -12.426 -14.989 945 HG2 GLU 431 2HG GLU 431 -19.218 -10.794 -16.138 946 HG3 GLU 431 1HG GLU 431 -19.087 -11.755 -17.614 947 H THR 432 H THR 432 -15.009 -13.167 -17.546 948 HA THR 432 HA THR 432 -13.303 -14.019 -15.501 949 HB THR 432 HB THR 432 -12.642 -13.820 -18.482 950 HG1 THR 432 HG1 THR 432 -14.517 -15.282 -17.170 951 HG21 THR 432 1HG2 THR 432 -10.694 -14.441 -17.096 952 HG22 THR 432 2HG2 THR 432 -11.219 -15.797 -18.091 953 HG23 THR 432 3HG2 THR 432 -11.617 -15.764 -16.372 954 H VAL 433 H VAL 433 -12.680 -11.638 -18.062 955 HA VAL 433 HA VAL 433 -10.247 -10.579 -17.174 956 HB VAL 433 HB VAL 433 -12.440 -9.325 -18.891 957 HG11 VAL 433 1HG1 VAL 433 -11.070 -7.511 -17.952 958 HG12 VAL 433 2HG1 VAL 433 -10.747 -7.694 -19.677 959 HG13 VAL 433 3HG1 VAL 433 -9.596 -8.318 -18.494 960 HG21 VAL 433 1HG2 VAL 433 -11.429 -11.367 -19.853 961 HG22 VAL 433 2HG2 VAL 433 -9.821 -10.657 -19.692 962 HG23 VAL 433 3HG2 VAL 433 -10.995 -9.941 -20.799 963 H ALA 434 H ALA 434 -13.601 -9.725 -16.338 964 HA ALA 434 HA ALA 434 -13.096 -7.310 -14.974 965 HB1 ALA 434 1HB ALA 434 -15.326 -7.579 -13.983 966 HB2 ALA 434 2HB ALA 434 -15.376 -9.262 -14.514 967 HB3 ALA 434 3HB ALA 434 -15.357 -7.961 -15.706 968 H ARG 435 H ARG 435 -13.077 -10.701 -13.883 969 HA ARG 435 HA ARG 435 -12.804 -10.200 -11.092 970 HB2 ARG 435 2HB ARG 435 -11.802 -12.644 -12.639 971 HB3 ARG 435 1HB ARG 435 -12.073 -12.557 -10.904 972 HG2 ARG 435 2HG ARG 435 -14.154 -12.537 -13.097 973 HG3 ARG 435 1HG ARG 435 -13.891 -13.784 -11.883 974 HD2 ARG 435 2HD ARG 435 -14.653 -12.255 -10.121 975 HD3 ARG 435 1HD ARG 435 -14.833 -10.957 -11.304 976 HE ARG 435 HE ARG 435 -16.397 -13.333 -11.848 977 HH11 ARG 435 1HH1 ARG 435 -16.371 -10.180 -10.267 978 HH12 ARG 435 2HH1 ARG 435 -18.102 -10.042 -10.248 979 HH21 ARG 435 1HH2 ARG 435 -18.664 -13.136 -11.813 980 HH22 ARG 435 2HH2 ARG 435 -19.400 -11.724 -11.126 981 H TYR 436 H TYR 436 -10.416 -11.059 -13.612 982 HA TYR 436 HA TYR 436 -8.163 -10.998 -11.890 983 HB2 TYR 436 2HB TYR 436 -8.288 -10.855 -14.925 984 HB3 TYR 436 1HB TYR 436 -6.806 -11.102 -13.999 985 HD1 TYR 436 HD1 TYR 436 -7.849 -12.989 -11.881 986 HD2 TYR 436 HD2 TYR 436 -8.439 -12.921 -16.120 987 HE1 TYR 436 HE1 TYR 436 -8.205 -15.414 -11.870 988 HE2 TYR 436 HE2 TYR 436 -8.797 -15.348 -16.099 989 HH TYR 436 HH TYR 436 -8.165 -17.295 -14.658 990 H LYS 437 H LYS 437 -9.539 -8.579 -14.078 991 HA LYS 437 HA LYS 437 -7.316 -6.772 -13.829 992 HB2 LYS 437 2HB LYS 437 -8.792 -6.902 -15.896 993 HB3 LYS 437 1HB LYS 437 -10.067 -6.108 -14.974 994 HG2 LYS 437 2HG LYS 437 -8.499 -4.177 -14.579 995 HG3 LYS 437 1HG LYS 437 -7.328 -4.972 -15.634 996 HD2 LYS 437 2HD LYS 437 -8.938 -4.819 -17.519 997 HD3 LYS 437 1HD LYS 437 -10.095 -4.014 -16.451 998 HE2 LYS 437 2HE LYS 437 -7.352 -2.961 -17.221 999 HE3 LYS 437 1HE LYS 437 -8.900 -2.365 -17.818 1000 HZ1 LYS 437 1HZ LYS 437 -8.074 -0.946 -16.086 1001 HZ2 LYS 437 2HZ LYS 437 -7.942 -2.239 -15.006 1002 HZ3 LYS 437 3HZ LYS 437 -9.465 -1.731 -15.538 1003 H ALA 438 H ALA 438 -10.470 -7.156 -12.239 1004 HA ALA 438 HA ALA 438 -10.491 -4.749 -10.765 1005 HB1 ALA 438 1HB ALA 438 -12.406 -6.281 -10.782 1006 HB2 ALA 438 2HB ALA 438 -11.893 -5.950 -9.125 1007 HB3 ALA 438 3HB ALA 438 -11.478 -7.487 -9.896 1008 H GLN 439 H GLN 439 -9.264 -7.980 -9.814 1009 HA GLN 439 HA GLN 439 -8.133 -7.155 -7.353 1010 HB2 GLN 439 2HB GLN 439 -7.438 -9.585 -9.057 1011 HB3 GLN 439 1HB GLN 439 -7.032 -9.381 -7.358 1012 HG2 GLN 439 2HG GLN 439 -9.827 -9.610 -8.508 1013 HG3 GLN 439 1HG GLN 439 -8.956 -10.874 -7.645 1014 HE21 GLN 439 1HE2 GLN 439 -10.709 -7.875 -7.338 1015 HE22 GLN 439 2HE2 GLN 439 -10.883 -7.914 -5.620 1016 H PHE 440 H PHE 440 -6.816 -7.352 -10.631 1017 HA PHE 440 HA PHE 440 -4.070 -6.958 -9.988 1018 HB2 PHE 440 2HB PHE 440 -4.686 -7.931 -12.153 1019 HB3 PHE 440 1HB PHE 440 -5.593 -6.491 -12.592 1020 HD1 PHE 440 HD1 PHE 440 -2.119 -7.591 -11.695 1021 HD2 PHE 440 HD2 PHE 440 -4.522 -4.820 -13.905 1022 HE1 PHE 440 HE1 PHE 440 -0.096 -6.644 -12.721 1023 HE2 PHE 440 HE2 PHE 440 -2.491 -3.882 -14.925 1024 HZ PHE 440 HZ PHE 440 -0.280 -4.787 -14.329 1025 H THR 441 H THR 441 -6.442 -4.678 -11.470 1026 HA THR 441 HA THR 441 -4.757 -2.447 -11.560 1027 HB THR 441 HB THR 441 -7.808 -2.556 -11.555 1028 HG1 THR 441 HG1 THR 441 -6.658 -3.713 -13.243 1029 HG21 THR 441 1HG2 THR 441 -7.743 -0.370 -12.732 1030 HG22 THR 441 2HG2 THR 441 -5.999 -0.290 -12.486 1031 HG23 THR 441 3HG2 THR 441 -7.084 -0.237 -11.098 1032 H GLN 442 H GLN 442 -6.913 -3.548 -9.003 1033 HA GLN 442 HA GLN 442 -6.788 -1.177 -7.388 1034 HB2 GLN 442 2HB GLN 442 -7.645 -4.018 -6.753 1035 HB3 GLN 442 1HB GLN 442 -7.811 -2.667 -5.634 1036 HG2 GLN 442 2HG GLN 442 -9.399 -1.564 -7.061 1037 HG3 GLN 442 1HG GLN 442 -9.096 -2.696 -8.378 1038 HE21 GLN 442 1HE2 GLN 442 -9.109 -5.084 -6.739 1039 HE22 GLN 442 2HE2 GLN 442 -10.747 -5.344 -6.265 1040 H LEU 443 H LEU 443 -5.266 -4.467 -7.008 1041 HA LEU 443 HA LEU 443 -3.514 -3.677 -4.894 1042 HB2 LEU 443 2HB LEU 443 -3.554 -6.037 -6.788 1043 HB3 LEU 443 1HB LEU 443 -2.151 -5.785 -5.772 1044 HG LEU 443 HG LEU 443 -3.537 -6.051 -3.735 1045 HD11 LEU 443 1HD1 LEU 443 -5.857 -6.790 -3.810 1046 HD12 LEU 443 2HD1 LEU 443 -5.877 -6.613 -5.565 1047 HD13 LEU 443 3HD1 LEU 443 -5.684 -5.193 -4.539 1048 HD21 LEU 443 1HD2 LEU 443 -4.009 -8.465 -3.958 1049 HD22 LEU 443 2HD2 LEU 443 -2.464 -8.030 -4.682 1050 HD23 LEU 443 3HD2 LEU 443 -3.864 -8.328 -5.714 1051 H ASP 444 H ASP 444 -3.399 -3.077 -8.257 1052 HA ASP 444 HA ASP 444 -0.548 -2.748 -8.580 1053 HB2 ASP 444 2HB ASP 444 -1.857 -3.527 -10.480 1054 HB3 ASP 444 1HB ASP 444 -2.922 -2.132 -10.398 1055 H THR 445 H THR 445 -3.399 -0.534 -8.433 1056 HA THR 445 HA THR 445 -1.847 1.852 -8.453 1057 HB THR 445 HB THR 445 -4.232 1.975 -9.026 1058 HG1 THR 445 HG1 THR 445 -4.570 3.670 -7.055 1059 HG21 THR 445 1HG2 THR 445 -4.842 1.448 -6.097 1060 HG22 THR 445 2HG2 THR 445 -5.198 0.350 -7.431 1061 HG23 THR 445 3HG2 THR 445 -6.013 1.912 -7.336 1062 H MET 446 H MET 446 -3.065 -0.271 -5.906 1063 HA MET 446 HA MET 446 -2.243 1.158 -3.651 1064 HB2 MET 446 2HB MET 446 -3.692 -0.889 -3.549 1065 HB3 MET 446 1HB MET 446 -2.301 -1.877 -3.984 1066 HG2 MET 446 2HG MET 446 -1.152 -1.119 -1.908 1067 HG3 MET 446 1HG MET 446 -2.597 -0.209 -1.471 1068 HE1 MET 446 1HE MET 446 -2.687 -1.382 0.900 1069 HE2 MET 446 2HE MET 446 -1.219 -2.283 0.512 1070 HE3 MET 446 3HE MET 446 -2.638 -3.130 1.124 1071 H MET 447 H MET 447 -0.503 -1.110 -5.780 1072 HA MET 447 HA MET 447 1.852 -1.315 -4.220 1073 HB2 MET 447 2HB MET 447 1.355 -3.065 -5.781 1074 HB3 MET 447 1HB MET 447 1.362 -1.957 -7.145 1075 HG2 MET 447 2HG MET 447 3.661 -1.999 -7.334 1076 HG3 MET 447 1HG MET 447 3.915 -2.082 -5.592 1077 HE1 MET 447 1HE MET 447 2.090 -4.590 -4.810 1078 HE2 MET 447 2HE MET 447 3.694 -4.231 -4.164 1079 HE3 MET 447 3HE MET 447 3.344 -5.827 -4.824 1080 H SER 448 H SER 448 1.193 0.582 -7.195 1081 HA SER 448 HA SER 448 3.730 1.745 -7.476 1082 HB2 SER 448 2HB SER 448 2.521 3.490 -8.842 1083 HB3 SER 448 1HB SER 448 2.097 1.835 -9.285 1084 HG SER 448 HG SER 448 0.559 3.797 -8.036 1085 H LYS 449 H LYS 449 0.864 2.797 -5.670 1086 HA LYS 449 HA LYS 449 1.965 5.219 -4.656 1087 HB2 LYS 449 2HB LYS 449 -0.358 3.540 -3.650 1088 HB3 LYS 449 1HB LYS 449 0.072 5.124 -3.011 1089 HG2 LYS 449 2HG LYS 449 -0.290 6.098 -5.291 1090 HG3 LYS 449 1HG LYS 449 -0.838 4.515 -5.839 1091 HD2 LYS 449 2HD LYS 449 -2.854 5.631 -5.376 1092 HD3 LYS 449 1HD LYS 449 -2.590 4.687 -3.913 1093 HE2 LYS 449 2HE LYS 449 -1.992 7.642 -4.272 1094 HE3 LYS 449 1HE LYS 449 -3.332 6.951 -3.358 1095 HZ1 LYS 449 1HZ LYS 449 -0.440 6.757 -2.707 1096 HZ2 LYS 449 2HZ LYS 449 -1.647 5.915 -1.875 1097 HZ3 LYS 449 3HZ LYS 449 -1.626 7.597 -1.861 1098 H LEU 450 H LEU 450 1.810 1.862 -3.319 1099 HA LEU 450 HA LEU 450 2.757 2.731 -0.746 1100 HB2 LEU 450 2HB LEU 450 2.627 0.495 0.043 1101 HB3 LEU 450 1HB LEU 450 1.231 0.780 -0.959 1102 HG LEU 450 HG LEU 450 2.497 -0.565 -2.795 1103 HD11 LEU 450 1HD1 LEU 450 4.082 -2.288 -2.005 1104 HD12 LEU 450 2HD1 LEU 450 4.132 -1.509 -0.421 1105 HD13 LEU 450 3HD1 LEU 450 4.735 -0.660 -1.843 1106 HD21 LEU 450 1HD2 LEU 450 0.518 -1.412 -1.650 1107 HD22 LEU 450 2HD2 LEU 450 1.509 -1.995 -0.310 1108 HD23 LEU 450 3HD2 LEU 450 1.679 -2.711 -1.916 1109 H ASN 451 H ASN 451 4.272 1.777 -3.657 1110 HA ASN 451 HA ASN 451 6.867 1.187 -2.547 1111 HB2 ASN 451 2HB ASN 451 6.161 0.299 -4.778 1112 HB3 ASN 451 1HB ASN 451 6.123 1.941 -5.422 1113 HD21 ASN 451 1HD2 ASN 451 8.094 2.977 -5.879 1114 HD22 ASN 451 2HD2 ASN 451 9.607 2.142 -5.873 1115 H ASN 452 H ASN 452 5.321 3.966 -4.194 1116 HA ASN 452 HA ASN 452 7.361 5.875 -3.956 1117 HB2 ASN 452 2HB ASN 452 5.312 6.276 -5.295 1118 HB3 ASN 452 1HB ASN 452 4.338 6.308 -3.828 1119 HD21 ASN 452 1HD2 ASN 452 3.619 8.397 -3.892 1120 HD22 ASN 452 2HD2 ASN 452 4.641 9.792 -3.891 1121 H THR 453 H THR 453 4.844 4.890 -1.641 1122 HA THR 453 HA THR 453 5.319 6.934 0.247 1123 HB THR 453 HB THR 453 3.972 5.539 1.845 1124 HG1 THR 453 HG1 THR 453 3.744 3.524 1.434 1125 HG21 THR 453 1HG2 THR 453 1.833 5.597 0.634 1126 HG22 THR 453 2HG2 THR 453 2.683 5.784 -0.900 1127 HG23 THR 453 3HG2 THR 453 2.767 7.061 0.310 1128 H SER 454 H SER 454 6.120 3.412 0.387 1129 HA SER 454 HA SER 454 7.674 3.436 2.675 1130 HB2 SER 454 2HB SER 454 8.701 1.326 1.824 1131 HB3 SER 454 1HB SER 454 6.948 1.348 1.639 1132 HG SER 454 HG SER 454 7.149 1.338 -0.455 1133 H SER 455 H SER 455 8.605 4.403 -0.575 1134 HA SER 455 HA SER 455 11.389 4.576 -0.234 1135 HB2 SER 455 2HB SER 455 10.205 4.682 -2.433 1136 HB3 SER 455 1HB SER 455 9.620 6.298 -2.027 1137 HG SER 455 HG SER 455 11.996 6.743 -1.724 1138 H TYR 456 H TYR 456 8.967 7.327 -0.085 1139 HA TYR 456 HA TYR 456 10.993 9.039 1.077 1140 HB2 TYR 456 2HB TYR 456 9.183 10.761 1.314 1141 HB3 TYR 456 1HB TYR 456 9.451 10.174 -0.315 1142 HD1 TYR 456 HD1 TYR 456 7.223 9.134 2.577 1143 HD2 TYR 456 HD2 TYR 456 7.488 10.133 -1.563 1144 HE1 TYR 456 HE1 TYR 456 4.806 8.853 2.355 1145 HE2 TYR 456 HE2 TYR 456 5.058 9.842 -1.785 1146 HH TYR 456 HH TYR 456 3.241 8.677 -0.662 1147 H LEU 457 H LEU 457 8.742 6.845 2.463 1148 HA LEU 457 HA LEU 457 8.622 8.026 5.081 1149 HB2 LEU 457 2HB LEU 457 7.912 5.224 4.124 1150 HB3 LEU 457 1HB LEU 457 7.707 5.756 5.785 1151 HG LEU 457 HG LEU 457 6.222 6.829 3.353 1152 HD11 LEU 457 1HD1 LEU 457 4.225 5.850 4.418 1153 HD12 LEU 457 2HD1 LEU 457 5.233 5.182 5.705 1154 HD13 LEU 457 3HD1 LEU 457 5.437 4.626 4.042 1155 HD21 LEU 457 1HD2 LEU 457 5.976 7.709 6.246 1156 HD22 LEU 457 2HD2 LEU 457 4.927 8.212 4.917 1157 HD23 LEU 457 3HD2 LEU 457 6.630 8.662 4.910 1158 H THR 458 H THR 458 10.688 5.589 3.462 1159 HA THR 458 HA THR 458 12.058 4.872 5.890 1160 HB THR 458 HB THR 458 12.016 3.299 3.945 1161 HG1 THR 458 HG1 THR 458 14.667 4.029 4.737 1162 HG21 THR 458 1HG2 THR 458 13.688 3.543 2.131 1163 HG22 THR 458 2HG2 THR 458 14.052 5.176 2.692 1164 HG23 THR 458 3HG2 THR 458 12.452 4.798 2.057 1165 H GLN 459 H GLN 459 12.595 7.253 3.304 1166 HA GLN 459 HA GLN 459 15.100 8.268 4.205 1167 HB2 GLN 459 2HB GLN 459 12.835 9.846 2.905 1168 HB3 GLN 459 1HB GLN 459 14.534 10.307 2.952 1169 HG2 GLN 459 2HG GLN 459 15.120 8.445 1.498 1170 HG3 GLN 459 1HG GLN 459 13.459 7.866 1.518 1171 HE21 GLN 459 1HE2 GLN 459 12.368 10.658 1.293 1172 HE22 GLN 459 2HE2 GLN 459 12.606 11.080 -0.364 1173 H GLN 460 H GLN 460 11.755 9.192 4.943 1174 HA GLN 460 HA GLN 460 12.191 11.262 6.776 1175 HB2 GLN 460 2HB GLN 460 9.997 10.828 5.692 1176 HB3 GLN 460 1HB GLN 460 9.850 9.312 6.576 1177 HG2 GLN 460 2HG GLN 460 8.440 11.044 7.589 1178 HG3 GLN 460 1HG GLN 460 9.712 10.555 8.708 1179 HE21 GLN 460 1HE2 GLN 460 11.369 12.041 9.202 1180 HE22 GLN 460 2HE2 GLN 460 11.234 13.727 8.845 1181 H PHE 461 H PHE 461 11.922 7.759 7.200 1182 HA PHE 461 HA PHE 461 11.977 7.653 10.025 1183 HB2 PHE 461 2HB PHE 461 11.227 5.723 8.743 1184 HB3 PHE 461 1HB PHE 461 12.775 5.595 7.919 1185 HD1 PHE 461 HD1 PHE 461 11.540 5.693 11.499 1186 HD2 PHE 461 HD2 PHE 461 14.114 3.802 8.642 1187 HE1 PHE 461 HE1 PHE 461 12.305 4.112 13.216 1188 HE2 PHE 461 HE2 PHE 461 14.868 2.234 10.375 1189 HZ PHE 461 HZ PHE 461 13.969 2.385 12.658 1190 H THR 462 H THR 462 14.549 7.436 7.566 1191 HA THR 462 HA THR 462 16.680 6.735 9.268 1192 HB THR 462 HB THR 462 16.692 8.133 6.550 1193 HG1 THR 462 HG1 THR 462 15.821 5.828 7.048 1194 HG21 THR 462 1HG2 THR 462 18.968 6.667 7.934 1195 HG22 THR 462 2HG2 THR 462 18.901 8.406 7.636 1196 HG23 THR 462 3HG2 THR 462 18.997 7.278 6.281 1197 H ALA 463 H ALA 463 15.490 9.909 8.195 1198 HA ALA 463 HA ALA 463 17.535 11.445 9.513 1199 HB1 ALA 463 1HB ALA 463 16.207 13.402 8.863 1200 HB2 ALA 463 2HB ALA 463 14.864 12.353 8.396 1201 HB3 ALA 463 3HB ALA 463 16.386 12.290 7.505 1202 H MET 464 H MET 464 14.053 10.891 10.160 1203 HA MET 464 HA MET 464 13.827 12.493 12.473 1204 HB2 MET 464 2HB MET 464 11.869 11.787 11.165 1205 HB3 MET 464 1HB MET 464 12.156 10.106 11.581 1206 HG2 MET 464 2HG MET 464 11.670 10.648 13.964 1207 HG3 MET 464 1HG MET 464 11.305 12.306 13.482 1208 HE1 MET 464 1HE MET 464 9.770 11.967 10.716 1209 HE2 MET 464 2HE MET 464 9.169 12.996 12.023 1210 HE3 MET 464 3HE MET 464 8.100 11.817 11.268 1211 H ASN 465 H ASN 465 14.733 9.127 12.034 1212 HA ASN 465 HA ASN 465 14.825 8.452 14.822 1213 HB2 ASN 465 2HB ASN 465 14.597 6.773 12.907 1214 HB3 ASN 465 1HB ASN 465 16.298 7.034 12.549 1215 HD21 ASN 465 1HD2 ASN 465 15.232 4.561 13.167 1216 HD22 ASN 465 2HD2 ASN 465 15.859 4.023 14.682 1217 H LYS 466 H LYS 466 17.595 8.649 12.456 1218 HA LYS 466 HA LYS 466 19.113 10.205 14.476 1219 HB2 LYS 466 2HB LYS 466 21.201 8.959 13.918 1220 HB3 LYS 466 1HB LYS 466 19.993 7.987 14.734 1221 HG2 LYS 466 2HG LYS 466 20.334 7.871 11.726 1222 HG3 LYS 466 1HG LYS 466 21.358 6.918 12.794 1223 HD2 LYS 466 2HD LYS 466 18.319 6.753 12.756 1224 HD3 LYS 466 1HD LYS 466 19.382 5.673 11.853 1225 HE2 LYS 466 2HE LYS 466 19.461 5.973 14.880 1226 HE3 LYS 466 1HE LYS 466 18.560 4.720 14.029 1227 HZ1 LYS 466 1HZ LYS 466 20.716 3.939 14.795 1228 HZ2 LYS 466 2HZ LYS 466 21.498 5.110 13.862 1229 HZ3 LYS 466 3HZ LYS 466 20.611 3.887 13.108 1230 H SER 467 H SER 467 18.441 12.107 13.128 1231 HA SER 467 HA SER 467 19.914 12.655 10.740 1232 HB2 SER 467 2HB SER 467 18.901 14.554 12.897 1233 HB3 SER 467 1HB SER 467 19.586 15.076 11.357 1234 HG SER 467 HG SER 467 17.763 13.343 10.732 Start of MODEL 12 1 H1 MET 1 1H MET 1 -1.683 22.478 20.538 2 H2 MET 1 2H MET 1 -0.211 22.559 21.363 3 H3 MET 1 3H MET 1 -0.995 21.073 21.170 4 HA MET 1 HA MET 1 0.057 22.736 18.972 5 HB2 MET 1 2HB MET 1 1.814 20.881 18.798 6 HB3 MET 1 1HB MET 1 1.965 21.947 20.187 7 HG2 MET 1 2HG MET 1 0.951 20.240 21.634 8 HG3 MET 1 1HG MET 1 0.751 19.171 20.244 9 HE1 MET 1 1HE MET 1 3.601 17.398 22.267 10 HE2 MET 1 2HE MET 1 2.041 17.182 21.476 11 HE3 MET 1 3HE MET 1 2.174 18.214 22.904 12 H THR 2 H THR 2 -1.687 22.512 17.623 13 HA THR 2 HA THR 2 -3.307 20.216 17.289 14 HB THR 2 HB THR 2 -4.161 21.364 15.205 15 HG1 THR 2 HG1 THR 2 -3.222 23.200 14.493 16 HG21 THR 2 1HG2 THR 2 -5.132 23.330 16.325 17 HG22 THR 2 2HG2 THR 2 -3.946 23.201 17.624 18 HG23 THR 2 3HG2 THR 2 -5.154 21.934 17.406 19 H SER 3 H SER 3 -0.634 21.491 15.313 20 HA SER 3 HA SER 3 -0.759 19.597 13.219 21 HB2 SER 3 2HB SER 3 1.579 21.327 14.137 22 HB3 SER 3 1HB SER 3 1.477 20.485 12.588 23 HG SER 3 HG SER 3 -0.705 22.075 13.150 24 H THR 4 H THR 4 0.931 19.605 16.309 25 HA THR 4 HA THR 4 2.616 17.349 15.709 26 HB THR 4 HB THR 4 2.038 18.665 18.390 27 HG1 THR 4 HG1 THR 4 4.353 19.428 17.690 28 HG21 THR 4 1HG2 THR 4 4.209 17.684 19.090 29 HG22 THR 4 2HG2 THR 4 4.322 16.839 17.547 30 HG23 THR 4 3HG2 THR 4 3.038 16.425 18.683 31 H VAL 5 H VAL 5 -0.462 17.813 17.517 32 HA VAL 5 HA VAL 5 -0.489 15.148 18.581 33 HB VAL 5 HB VAL 5 -1.734 16.976 19.704 34 HG11 VAL 5 1HG1 VAL 5 -3.688 16.848 17.390 35 HG12 VAL 5 2HG1 VAL 5 -2.602 18.186 17.764 36 HG13 VAL 5 3HG1 VAL 5 -3.904 17.774 18.880 37 HG21 VAL 5 1HG2 VAL 5 -3.766 15.696 20.293 38 HG22 VAL 5 2HG2 VAL 5 -2.353 14.646 20.201 39 HG23 VAL 5 3HG2 VAL 5 -3.528 14.656 18.884 40 H GLU 6 H GLU 6 -1.940 16.654 15.662 41 HA GLU 6 HA GLU 6 -3.320 14.318 14.768 42 HB2 GLU 6 2HB GLU 6 -3.491 15.411 12.580 43 HB3 GLU 6 1HB GLU 6 -3.827 16.574 13.854 44 HG2 GLU 6 2HG GLU 6 -1.515 17.460 13.621 45 HG3 GLU 6 1HG GLU 6 -1.236 16.331 12.306 46 H PHE 7 H PHE 7 -0.032 15.591 14.187 47 HA PHE 7 HA PHE 7 1.045 13.690 12.477 48 HB2 PHE 7 2HB PHE 7 2.254 15.675 13.077 49 HB3 PHE 7 1HB PHE 7 2.211 15.286 14.781 50 HD1 PHE 7 HD1 PHE 7 3.867 14.528 11.556 51 HD2 PHE 7 HD2 PHE 7 3.899 13.854 15.779 52 HE1 PHE 7 HE1 PHE 7 6.155 13.641 11.416 53 HE2 PHE 7 HE2 PHE 7 6.183 12.966 15.613 54 HZ PHE 7 HZ PHE 7 7.313 12.872 13.433 55 H ILE 8 H ILE 8 1.014 13.532 16.070 56 HA ILE 8 HA ILE 8 2.262 11.079 16.518 57 HB ILE 8 HB ILE 8 0.061 12.453 18.143 58 HG12 ILE 8 2HG1 ILE 8 3.074 12.455 18.633 59 HG13 ILE 8 1HG1 ILE 8 2.199 13.757 17.843 60 HG21 ILE 8 1HG2 ILE 8 0.130 10.094 18.799 61 HG22 ILE 8 2HG2 ILE 8 0.792 11.093 20.092 62 HG23 ILE 8 3HG2 ILE 8 1.876 10.183 19.039 63 HD11 ILE 8 1HD1 ILE 8 2.629 14.330 20.127 64 HD12 ILE 8 2HD1 ILE 8 1.865 12.849 20.699 65 HD13 ILE 8 3HD1 ILE 8 0.895 14.100 19.912 66 H ASN 9 H ASN 9 -1.226 11.774 16.448 67 HA ASN 9 HA ASN 9 -2.151 9.184 16.949 68 HB2 ASN 9 2HB ASN 9 -3.525 11.615 15.732 69 HB3 ASN 9 1HB ASN 9 -4.394 10.122 16.095 70 HD21 ASN 9 1HD2 ASN 9 -4.417 12.950 17.232 71 HD22 ASN 9 2HD2 ASN 9 -4.355 12.698 18.941 72 H ARG 10 H ARG 10 -1.713 10.919 13.866 73 HA ARG 10 HA ARG 10 -3.036 8.909 12.298 74 HB2 ARG 10 2HB ARG 10 -1.311 11.244 11.421 75 HB3 ARG 10 1HB ARG 10 -2.214 10.202 10.323 76 HG2 ARG 10 2HG ARG 10 -4.330 10.950 11.272 77 HG3 ARG 10 1HG ARG 10 -3.479 11.886 12.507 78 HD2 ARG 10 2HD ARG 10 -3.476 12.391 9.516 79 HD3 ARG 10 1HD ARG 10 -4.216 13.396 10.764 80 HE ARG 10 HE ARG 10 -1.485 13.168 11.342 81 HH11 ARG 10 1HH1 ARG 10 -3.501 14.652 8.867 82 HH12 ARG 10 2HH1 ARG 10 -2.355 15.904 8.519 83 HH21 ARG 10 1HH2 ARG 10 0.005 14.811 10.872 84 HH22 ARG 10 2HH2 ARG 10 -0.367 15.989 9.659 85 H TRP 11 H TRP 11 0.429 9.618 12.998 86 HA TRP 11 HA TRP 11 1.529 7.639 11.295 87 HB2 TRP 11 2HB TRP 11 2.545 8.931 13.834 88 HB3 TRP 11 1HB TRP 11 3.404 7.536 13.194 89 HD1 TRP 11 HD1 TRP 11 3.461 11.186 12.973 90 HE1 TRP 11 HE1 TRP 11 4.849 11.962 10.965 91 HE3 TRP 11 HE3 TRP 11 3.784 6.776 10.395 92 HZ2 TRP 11 HZ2 TRP 11 5.950 10.909 8.633 93 HZ3 TRP 11 HZ3 TRP 11 5.032 6.755 8.267 94 HH2 TRP 11 HH2 TRP 11 6.090 8.790 7.412 95 H GLN 12 H GLN 12 0.324 7.449 14.649 96 HA GLN 12 HA GLN 12 0.775 4.717 15.104 97 HB2 GLN 12 2HB GLN 12 0.100 6.294 16.887 98 HB3 GLN 12 1HB GLN 12 -1.501 6.442 16.170 99 HG2 GLN 12 2HG GLN 12 -1.953 4.073 16.634 100 HG3 GLN 12 1HG GLN 12 -0.316 3.868 17.261 101 HE21 GLN 12 1HE2 GLN 12 -1.082 3.176 19.264 102 HE22 GLN 12 2HE2 GLN 12 -1.809 4.252 20.401 103 H ARG 13 H ARG 13 -1.983 6.397 13.537 104 HA ARG 13 HA ARG 13 -3.677 4.180 13.175 105 HB2 ARG 13 2HB ARG 13 -3.435 6.545 11.264 106 HB3 ARG 13 1HB ARG 13 -4.794 5.435 11.378 107 HG2 ARG 13 2HG ARG 13 -3.941 7.525 13.377 108 HG3 ARG 13 1HG ARG 13 -5.413 7.495 12.418 109 HD2 ARG 13 2HD ARG 13 -6.223 5.560 13.701 110 HD3 ARG 13 1HD ARG 13 -4.722 5.540 14.643 111 HE ARG 13 HE ARG 13 -6.340 7.989 14.642 112 HH11 ARG 13 1HH1 ARG 13 -5.278 5.164 16.448 113 HH12 ARG 13 2HH1 ARG 13 -5.784 5.811 17.972 114 HH21 ARG 13 1HH2 ARG 13 -6.996 8.812 16.637 115 HH22 ARG 13 2HH2 ARG 13 -6.758 7.875 18.080 116 H ILE 14 H ILE 14 -1.128 5.538 11.093 117 HA ILE 14 HA ILE 14 -1.337 3.911 8.845 118 HB ILE 14 HB ILE 14 1.207 5.102 10.074 119 HG12 ILE 14 2HG1 ILE 14 -0.501 6.191 7.790 120 HG13 ILE 14 1HG1 ILE 14 -0.593 6.759 9.447 121 HG21 ILE 14 1HG2 ILE 14 2.240 4.887 7.836 122 HG22 ILE 14 2HG2 ILE 14 0.795 4.066 7.242 123 HG23 ILE 14 3HG2 ILE 14 1.788 3.307 8.485 124 HD11 ILE 14 1HD1 ILE 14 1.815 6.959 7.651 125 HD12 ILE 14 2HD1 ILE 14 1.712 7.536 9.316 126 HD13 ILE 14 3HD1 ILE 14 0.700 8.260 8.068 127 H ALA 15 H ALA 15 0.616 3.439 11.797 128 HA ALA 15 HA ALA 15 1.873 1.010 11.103 129 HB1 ALA 15 1HB ALA 15 2.676 2.522 12.860 130 HB2 ALA 15 2HB ALA 15 2.457 0.889 13.488 131 HB3 ALA 15 3HB ALA 15 1.269 2.145 13.850 132 H LEU 16 H LEU 16 -1.087 1.633 12.997 133 HA LEU 16 HA LEU 16 -1.725 -1.002 13.773 134 HB2 LEU 16 2HB LEU 16 -3.550 1.389 13.279 135 HB3 LEU 16 1HB LEU 16 -4.070 -0.091 14.068 136 HG LEU 16 HG LEU 16 -1.930 1.788 15.150 137 HD11 LEU 16 1HD1 LEU 16 -3.583 2.473 16.835 138 HD12 LEU 16 2HD1 LEU 16 -4.815 1.491 16.038 139 HD13 LEU 16 3HD1 LEU 16 -4.112 2.876 15.201 140 HD21 LEU 16 1HD2 LEU 16 -3.221 -0.634 16.443 141 HD22 LEU 16 2HD2 LEU 16 -2.102 0.483 17.229 142 HD23 LEU 16 3HD2 LEU 16 -1.551 -0.506 15.881 143 H LEU 17 H LEU 17 -2.730 0.962 11.002 144 HA LEU 17 HA LEU 17 -4.402 -0.876 9.693 145 HB2 LEU 17 2HB LEU 17 -2.780 1.461 8.587 146 HB3 LEU 17 1HB LEU 17 -3.941 0.556 7.629 147 HG LEU 17 HG LEU 17 -4.669 2.102 10.149 148 HD11 LEU 17 1HD1 LEU 17 -5.036 2.963 7.267 149 HD12 LEU 17 2HD1 LEU 17 -3.908 3.659 8.432 150 HD13 LEU 17 3HD1 LEU 17 -5.643 3.814 8.691 151 HD21 LEU 17 1HD2 LEU 17 -6.207 0.266 9.693 152 HD22 LEU 17 2HD2 LEU 17 -6.449 0.844 8.041 153 HD23 LEU 17 3HD2 LEU 17 -6.988 1.821 9.410 154 H SER 18 H SER 18 -0.913 -0.214 9.415 155 HA SER 18 HA SER 18 -0.209 -1.677 7.169 156 HB2 SER 18 2HB SER 18 1.446 -1.274 9.705 157 HB3 SER 18 1HB SER 18 2.091 -1.766 8.144 158 HG SER 18 HG SER 18 0.604 0.530 8.117 159 H GLN 19 H GLN 19 -0.132 -2.715 10.572 160 HA GLN 19 HA GLN 19 0.683 -5.381 10.152 161 HB2 GLN 19 2HB GLN 19 0.901 -4.236 12.327 162 HB3 GLN 19 1HB GLN 19 -0.852 -4.157 12.488 163 HG2 GLN 19 2HG GLN 19 -0.946 -6.633 12.581 164 HG3 GLN 19 1HG GLN 19 0.810 -6.705 12.433 165 HE21 GLN 19 1HE2 GLN 19 -1.861 -5.859 14.526 166 HE22 GLN 19 2HE2 GLN 19 -0.942 -5.777 15.987 167 H SER 20 H SER 20 -2.554 -3.946 10.613 168 HA SER 20 HA SER 20 -4.082 -6.283 10.696 169 HB2 SER 20 2HB SER 20 -4.892 -3.524 9.687 170 HB3 SER 20 1HB SER 20 -6.015 -4.822 10.103 171 HG SER 20 HG SER 20 -4.739 -3.065 11.725 172 H LEU 21 H LEU 21 -3.459 -4.172 7.861 173 HA LEU 21 HA LEU 21 -4.901 -5.824 6.043 174 HB2 LEU 21 2HB LEU 21 -4.056 -4.294 4.277 175 HB3 LEU 21 1HB LEU 21 -4.839 -3.489 5.613 176 HG LEU 21 HG LEU 21 -2.439 -2.991 6.490 177 HD11 LEU 21 1HD1 LEU 21 -1.157 -4.453 5.070 178 HD12 LEU 21 2HD1 LEU 21 -0.687 -2.777 4.811 179 HD13 LEU 21 3HD1 LEU 21 -1.713 -3.599 3.630 180 HD21 LEU 21 1HD2 LEU 21 -3.926 -1.251 5.661 181 HD22 LEU 21 2HD2 LEU 21 -3.427 -1.578 3.999 182 HD23 LEU 21 3HD2 LEU 21 -2.263 -0.940 5.167 183 H LEU 22 H LEU 22 -1.569 -5.753 7.087 184 HA LEU 22 HA LEU 22 -0.392 -7.247 4.999 185 HB2 LEU 22 2HB LEU 22 0.948 -6.089 6.704 186 HB3 LEU 22 1HB LEU 22 0.306 -7.142 7.958 187 HG LEU 22 HG LEU 22 1.425 -9.100 6.829 188 HD11 LEU 22 1HD1 LEU 22 3.126 -8.718 5.117 189 HD12 LEU 22 2HD1 LEU 22 2.707 -7.005 5.051 190 HD13 LEU 22 3HD1 LEU 22 1.533 -8.223 4.545 191 HD21 LEU 22 1HD2 LEU 22 3.281 -6.848 7.630 192 HD22 LEU 22 2HD2 LEU 22 3.686 -8.567 7.584 193 HD23 LEU 22 3HD2 LEU 22 2.481 -7.978 8.726 194 H GLU 23 H GLU 23 -1.841 -8.208 8.089 195 HA GLU 23 HA GLU 23 -1.716 -10.998 7.827 196 HB2 GLU 23 2HB GLU 23 -3.757 -9.262 9.275 197 HB3 GLU 23 1HB GLU 23 -3.590 -11.004 9.503 198 HG2 GLU 23 2HG GLU 23 -1.319 -10.708 10.385 199 HG3 GLU 23 1HG GLU 23 -1.397 -8.978 10.059 200 H LEU 24 H LEU 24 -4.169 -8.659 6.776 201 HA LEU 24 HA LEU 24 -6.060 -10.512 5.742 202 HB2 LEU 24 2HB LEU 24 -5.646 -7.574 5.053 203 HB3 LEU 24 1HB LEU 24 -7.085 -8.511 4.667 204 HG LEU 24 HG LEU 24 -6.118 -7.948 7.499 205 HD11 LEU 24 1HD1 LEU 24 -8.000 -6.366 7.686 206 HD12 LEU 24 2HD1 LEU 24 -8.330 -6.568 5.963 207 HD13 LEU 24 3HD1 LEU 24 -6.805 -5.861 6.492 208 HD21 LEU 24 1HD2 LEU 24 -8.314 -8.791 8.216 209 HD22 LEU 24 2HD2 LEU 24 -7.388 -10.025 7.365 210 HD23 LEU 24 3HD2 LEU 24 -8.711 -9.195 6.544 211 H ALA 25 H ALA 25 -3.182 -9.073 4.345 212 HA ALA 25 HA ALA 25 -3.744 -9.628 1.581 213 HB1 ALA 25 1HB ALA 25 -2.144 -7.875 2.271 214 HB2 ALA 25 2HB ALA 25 -1.386 -9.050 1.195 215 HB3 ALA 25 3HB ALA 25 -1.068 -9.106 2.933 216 H GLN 26 H GLN 26 -1.765 -11.245 4.089 217 HA GLN 26 HA GLN 26 -1.025 -13.473 2.405 218 HB2 GLN 26 2HB GLN 26 0.028 -14.414 4.420 219 HB3 GLN 26 1HB GLN 26 0.460 -12.723 4.209 220 HG2 GLN 26 2HG GLN 26 -1.244 -12.113 5.928 221 HG3 GLN 26 1HG GLN 26 -1.549 -13.826 6.189 222 HE21 GLN 26 1HE2 GLN 26 1.636 -12.361 5.658 223 HE22 GLN 26 2HE2 GLN 26 2.246 -12.717 7.232 224 H ARG 27 H ARG 27 -3.695 -12.785 4.537 225 HA ARG 27 HA ARG 27 -4.821 -15.419 4.712 226 HB2 ARG 27 2HB ARG 27 -5.922 -12.607 5.040 227 HB3 ARG 27 1HB ARG 27 -7.008 -13.985 5.086 228 HG2 ARG 27 2HG ARG 27 -4.622 -13.898 6.940 229 HG3 ARG 27 1HG ARG 27 -6.077 -12.979 7.320 230 HD2 ARG 27 2HD ARG 27 -5.969 -15.973 6.845 231 HD3 ARG 27 1HD ARG 27 -6.080 -15.181 8.420 232 HE ARG 27 HE ARG 27 -8.179 -15.312 6.363 233 HH11 ARG 27 1HH1 ARG 27 -7.273 -14.335 9.627 234 HH12 ARG 27 2HH1 ARG 27 -8.912 -14.066 10.128 235 HH21 ARG 27 1HH2 ARG 27 -10.310 -14.933 7.035 236 HH22 ARG 27 2HH2 ARG 27 -10.627 -14.404 8.656 237 H GLY 28 H GLY 28 -4.681 -13.015 2.205 238 HA2 GLY 28 2HA GLY 28 -5.296 -13.201 -0.029 239 HA3 GLY 28 1HA GLY 28 -6.239 -14.638 0.336 240 H GLU 29 H GLU 29 -6.904 -12.171 2.516 241 HA GLU 29 HA GLU 29 -9.553 -11.681 1.508 242 HB2 GLU 29 2HB GLU 29 -8.087 -10.383 3.855 243 HB3 GLU 29 1HB GLU 29 -9.813 -10.268 3.527 244 HG2 GLU 29 2HG GLU 29 -8.268 -12.738 4.339 245 HG3 GLU 29 1HG GLU 29 -9.463 -11.862 5.297 246 H TRP 30 H TRP 30 -9.295 -10.622 -0.469 247 HA TRP 30 HA TRP 30 -7.584 -8.328 -0.761 248 HB2 TRP 30 2HB TRP 30 -9.670 -9.360 -2.726 249 HB3 TRP 30 1HB TRP 30 -8.348 -8.248 -3.080 250 HD1 TRP 30 HD1 TRP 30 -9.092 -11.566 -3.941 251 HE1 TRP 30 HE1 TRP 30 -7.043 -13.098 -4.118 252 HE3 TRP 30 HE3 TRP 30 -5.670 -8.735 -1.350 253 HZ2 TRP 30 HZ2 TRP 30 -4.374 -13.139 -3.278 254 HZ3 TRP 30 HZ3 TRP 30 -3.385 -9.609 -1.085 255 HH2 TRP 30 HH2 TRP 30 -2.751 -11.770 -2.032 256 H ASP 31 H ASP 31 -11.067 -8.838 -0.325 257 HA ASP 31 HA ASP 31 -11.957 -6.192 -0.811 258 HB2 ASP 31 2HB ASP 31 -13.155 -8.217 1.141 259 HB3 ASP 31 1HB ASP 31 -13.979 -6.812 0.472 260 H LEU 32 H LEU 32 -10.938 -7.850 2.152 261 HA LEU 32 HA LEU 32 -11.286 -5.630 3.907 262 HB2 LEU 32 2HB LEU 32 -9.718 -8.215 4.228 263 HB3 LEU 32 1HB LEU 32 -9.963 -7.050 5.519 264 HG LEU 32 HG LEU 32 -12.156 -8.644 4.129 265 HD11 LEU 32 1HD1 LEU 32 -10.811 -10.024 5.627 266 HD12 LEU 32 2HD1 LEU 32 -12.419 -9.774 6.303 267 HD13 LEU 32 3HD1 LEU 32 -11.044 -8.871 6.943 268 HD21 LEU 32 1HD2 LEU 32 -12.401 -6.640 6.405 269 HD22 LEU 32 2HD2 LEU 32 -13.698 -7.669 5.793 270 HD23 LEU 32 3HD2 LEU 32 -13.000 -6.429 4.756 271 H LEU 33 H LEU 33 -8.453 -6.977 2.196 272 HA LEU 33 HA LEU 33 -6.411 -5.334 3.202 273 HB2 LEU 33 2HB LEU 33 -5.905 -7.287 1.822 274 HB3 LEU 33 1HB LEU 33 -6.750 -6.592 0.449 275 HG LEU 33 HG LEU 33 -4.976 -4.785 0.334 276 HD11 LEU 33 1HD1 LEU 33 -4.182 -4.817 2.626 277 HD12 LEU 33 2HD1 LEU 33 -2.847 -5.110 1.517 278 HD13 LEU 33 3HD1 LEU 33 -3.552 -6.452 2.423 279 HD21 LEU 33 1HD2 LEU 33 -4.866 -6.739 -1.145 280 HD22 LEU 33 2HD2 LEU 33 -3.928 -7.618 0.063 281 HD23 LEU 33 3HD2 LEU 33 -3.252 -6.180 -0.704 282 H LEU 34 H LEU 34 -8.526 -4.846 0.378 283 HA LEU 34 HA LEU 34 -7.370 -2.310 -0.362 284 HB2 LEU 34 2HB LEU 34 -9.829 -3.763 -1.392 285 HB3 LEU 34 1HB LEU 34 -9.140 -2.317 -2.124 286 HG LEU 34 HG LEU 34 -7.685 -4.985 -1.880 287 HD11 LEU 34 1HD1 LEU 34 -8.040 -5.235 -4.302 288 HD12 LEU 34 2HD1 LEU 34 -9.061 -3.797 -4.302 289 HD13 LEU 34 3HD1 LEU 34 -9.554 -5.233 -3.401 290 HD21 LEU 34 1HD2 LEU 34 -6.894 -2.489 -3.417 291 HD22 LEU 34 2HD2 LEU 34 -6.031 -4.030 -3.414 292 HD23 LEU 34 3HD2 LEU 34 -6.138 -3.082 -1.934 293 H GLN 35 H GLN 35 -10.006 -3.316 1.683 294 HA GLN 35 HA GLN 35 -11.343 -0.815 1.935 295 HB2 GLN 35 2HB GLN 35 -12.297 -2.945 2.790 296 HB3 GLN 35 1HB GLN 35 -11.013 -3.059 3.984 297 HG2 GLN 35 2HG GLN 35 -13.123 -2.273 4.983 298 HG3 GLN 35 1HG GLN 35 -11.850 -1.064 5.128 299 HE21 GLN 35 1HE2 GLN 35 -13.713 -1.637 2.151 300 HE22 GLN 35 2HE2 GLN 35 -14.534 -0.118 2.189 301 H GLN 36 H GLN 36 -8.515 -2.265 3.491 302 HA GLN 36 HA GLN 36 -8.044 -0.048 5.286 303 HB2 GLN 36 2HB GLN 36 -6.141 -2.308 4.559 304 HB3 GLN 36 1HB GLN 36 -6.023 -1.237 5.948 305 HG2 GLN 36 2HG GLN 36 -8.151 -3.334 5.485 306 HG3 GLN 36 1HG GLN 36 -6.790 -3.465 6.590 307 HE21 GLN 36 1HE2 GLN 36 -9.622 -3.701 7.156 308 HE22 GLN 36 2HE2 GLN 36 -9.983 -2.491 8.332 309 H GLU 37 H GLU 37 -7.051 -0.992 2.051 310 HA GLU 37 HA GLU 37 -4.665 0.258 1.536 311 HB2 GLU 37 2HB GLU 37 -5.745 -1.046 -0.198 312 HB3 GLU 37 1HB GLU 37 -7.143 0.017 -0.216 313 HG2 GLU 37 2HG GLU 37 -5.605 1.849 -1.095 314 HG3 GLU 37 1HG GLU 37 -4.365 0.613 -1.283 315 H VAL 38 H VAL 38 -7.858 1.750 1.019 316 HA VAL 38 HA VAL 38 -6.961 4.275 0.218 317 HB VAL 38 HB VAL 38 -9.326 5.036 0.671 318 HG11 VAL 38 1HG1 VAL 38 -8.716 4.033 -1.488 319 HG12 VAL 38 2HG1 VAL 38 -10.363 3.585 -1.043 320 HG13 VAL 38 3HG1 VAL 38 -9.052 2.416 -0.858 321 HG21 VAL 38 1HG2 VAL 38 -11.028 3.383 1.377 322 HG22 VAL 38 2HG2 VAL 38 -9.837 3.642 2.653 323 HG23 VAL 38 3HG2 VAL 38 -9.762 2.184 1.662 324 H SER 39 H SER 39 -7.970 3.113 3.410 325 HA SER 39 HA SER 39 -7.781 5.471 4.899 326 HB2 SER 39 2HB SER 39 -7.210 2.628 5.865 327 HB3 SER 39 1HB SER 39 -7.781 3.986 6.839 328 HG SER 39 HG SER 39 -9.311 2.263 5.849 329 H TYR 40 H TYR 40 -5.424 2.998 4.114 330 HA TYR 40 HA TYR 40 -3.376 3.706 5.949 331 HB2 TYR 40 2HB TYR 40 -3.686 1.427 5.193 332 HB3 TYR 40 1HB TYR 40 -3.515 1.893 3.508 333 HD1 TYR 40 HD1 TYR 40 -1.468 2.231 6.671 334 HD2 TYR 40 HD2 TYR 40 -1.535 1.157 2.527 335 HE1 TYR 40 HE1 TYR 40 0.873 1.579 6.787 336 HE2 TYR 40 HE2 TYR 40 0.825 0.501 2.662 337 HH TYR 40 HH TYR 40 2.808 1.071 4.166 338 H LEU 41 H LEU 41 -3.522 3.899 2.388 339 HA LEU 41 HA LEU 41 -1.056 5.190 1.999 340 HB2 LEU 41 2HB LEU 41 -3.504 5.083 0.194 341 HB3 LEU 41 1HB LEU 41 -1.907 5.598 -0.323 342 HG LEU 41 HG LEU 41 -2.583 2.795 0.670 343 HD11 LEU 41 1HD1 LEU 41 -3.658 3.248 -1.489 344 HD12 LEU 41 2HD1 LEU 41 -2.366 2.063 -1.658 345 HD13 LEU 41 3HD1 LEU 41 -2.106 3.731 -2.178 346 HD21 LEU 41 1HD2 LEU 41 -0.246 3.377 1.130 347 HD22 LEU 41 2HD2 LEU 41 -0.008 3.848 -0.555 348 HD23 LEU 41 3HD2 LEU 41 -0.347 2.165 -0.147 349 H GLN 42 H GLN 42 -4.403 6.447 2.293 350 HA GLN 42 HA GLN 42 -3.799 9.181 1.802 351 HB2 GLN 42 2HB GLN 42 -6.093 8.206 1.730 352 HB3 GLN 42 1HB GLN 42 -6.058 8.017 3.479 353 HG2 GLN 42 2HG GLN 42 -5.800 10.521 3.672 354 HG3 GLN 42 1HG GLN 42 -6.019 10.632 1.928 355 HE21 GLN 42 1HE2 GLN 42 -8.076 8.494 1.867 356 HE22 GLN 42 2HE2 GLN 42 -9.496 9.204 2.547 357 H SER 43 H SER 43 -3.829 7.225 4.800 358 HA SER 43 HA SER 43 -3.413 9.283 6.676 359 HB2 SER 43 2HB SER 43 -2.632 6.345 6.793 360 HB3 SER 43 1HB SER 43 -2.465 7.452 8.158 361 HG SER 43 HG SER 43 -4.648 6.149 7.309 362 H ILE 44 H ILE 44 -1.118 7.423 4.731 363 HA ILE 44 HA ILE 44 1.296 8.460 5.825 364 HB ILE 44 HB ILE 44 0.765 7.356 3.025 365 HG12 ILE 44 2HG1 ILE 44 1.862 5.917 5.493 366 HG13 ILE 44 1HG1 ILE 44 0.218 5.763 4.900 367 HG21 ILE 44 1HG2 ILE 44 2.848 8.646 3.047 368 HG22 ILE 44 2HG2 ILE 44 3.220 6.926 2.950 369 HG23 ILE 44 3HG2 ILE 44 3.401 7.778 4.481 370 HD11 ILE 44 1HD1 ILE 44 1.524 3.851 4.263 371 HD12 ILE 44 2HD1 ILE 44 2.718 4.874 3.463 372 HD13 ILE 44 3HD1 ILE 44 1.075 4.764 2.823 373 H GLU 45 H GLU 45 -0.755 9.483 3.118 374 HA GLU 45 HA GLU 45 0.900 11.607 2.174 375 HB2 GLU 45 2HB GLU 45 -2.068 11.066 1.800 376 HB3 GLU 45 1HB GLU 45 -1.162 12.290 0.908 377 HG2 GLU 45 2HG GLU 45 0.243 10.572 -0.117 378 HG3 GLU 45 1HG GLU 45 -0.537 9.318 0.850 379 H THR 46 H THR 46 -1.664 11.468 4.607 380 HA THR 46 HA THR 46 -2.003 14.340 4.720 381 HB THR 46 HB THR 46 -3.929 12.796 5.117 382 HG1 THR 46 HG1 THR 46 -3.793 14.997 5.988 383 HG21 THR 46 1HG2 THR 46 -4.237 11.719 7.295 384 HG22 THR 46 2HG2 THR 46 -2.623 12.228 7.796 385 HG23 THR 46 3HG2 THR 46 -2.813 11.070 6.481 386 H VAL 47 H VAL 47 -0.203 11.891 6.661 387 HA VAL 47 HA VAL 47 0.721 13.815 8.595 388 HB VAL 47 HB VAL 47 2.531 12.227 9.191 389 HG11 VAL 47 1HG1 VAL 47 1.131 10.380 10.005 390 HG12 VAL 47 2HG1 VAL 47 -0.162 10.860 8.903 391 HG13 VAL 47 3HG1 VAL 47 0.325 11.936 10.214 392 HG21 VAL 47 1HG2 VAL 47 2.715 10.015 8.112 393 HG22 VAL 47 2HG2 VAL 47 3.061 11.318 6.973 394 HG23 VAL 47 3HG2 VAL 47 1.503 10.493 6.919 395 H MET 48 H MET 48 1.844 12.783 5.398 396 HA MET 48 HA MET 48 4.224 14.408 5.416 397 HB2 MET 48 2HB MET 48 2.769 12.925 3.203 398 HB3 MET 48 1HB MET 48 4.231 13.871 2.917 399 HG2 MET 48 2HG MET 48 3.976 11.454 4.720 400 HG3 MET 48 1HG MET 48 4.835 11.556 3.179 401 HE1 MET 48 1HE MET 48 7.091 10.593 4.284 402 HE2 MET 48 2HE MET 48 6.223 10.423 5.812 403 HE3 MET 48 3HE MET 48 7.783 11.245 5.768 404 H GLU 49 H GLU 49 0.892 15.131 4.838 405 HA GLU 49 HA GLU 49 1.234 17.568 3.403 406 HB2 GLU 49 2HB GLU 49 -0.958 16.484 3.635 407 HB3 GLU 49 1HB GLU 49 -0.921 16.676 5.376 408 HG2 GLU 49 2HG GLU 49 -0.896 19.107 3.589 409 HG3 GLU 49 1HG GLU 49 -2.408 18.268 3.900 410 H LYS 50 H LYS 50 1.461 16.718 6.829 411 HA LYS 50 HA LYS 50 2.296 19.410 7.616 412 HB2 LYS 50 2HB LYS 50 1.875 16.829 9.177 413 HB3 LYS 50 1HB LYS 50 2.660 18.224 9.907 414 HG2 LYS 50 2HG LYS 50 -0.168 18.121 8.815 415 HG3 LYS 50 1HG LYS 50 0.308 18.184 10.515 416 HD2 LYS 50 2HD LYS 50 1.323 20.430 10.132 417 HD3 LYS 50 1HD LYS 50 0.801 20.367 8.446 418 HE2 LYS 50 2HE LYS 50 -0.997 20.430 10.893 419 HE3 LYS 50 1HE LYS 50 -0.736 21.739 9.743 420 HZ1 LYS 50 1HZ LYS 50 -2.128 19.172 9.272 421 HZ2 LYS 50 2HZ LYS 50 -1.669 20.210 8.023 422 HZ3 LYS 50 3HZ LYS 50 -2.771 20.736 9.192 423 H GLN 51 H GLN 51 3.708 16.494 6.505 424 HA GLN 51 HA GLN 51 5.780 15.634 6.287 425 HB2 GLN 51 2HB GLN 51 7.348 17.094 5.072 426 HB3 GLN 51 1HB GLN 51 5.707 17.295 4.484 427 HG2 GLN 51 2HG GLN 51 5.521 19.422 5.750 428 HG3 GLN 51 1HG GLN 51 7.175 19.206 6.323 429 HE21 GLN 51 1HE2 GLN 51 7.860 21.133 5.390 430 HE22 GLN 51 2HE2 GLN 51 8.037 21.341 3.683 431 H THR 52 H THR 52 5.301 15.934 8.910 432 HA THR 52 HA THR 52 6.158 15.894 10.963 433 HB THR 52 HB THR 52 8.910 16.183 9.677 434 HG1 THR 52 HG1 THR 52 8.331 14.278 8.936 435 HG21 THR 52 1HG2 THR 52 9.769 15.110 11.735 436 HG22 THR 52 2HG2 THR 52 8.145 15.113 12.429 437 HG23 THR 52 3HG2 THR 52 8.978 16.641 12.115 438 HA PRO 53 HA PRO 53 5.935 20.503 11.615 439 HB2 PRO 53 2HB PRO 53 5.444 19.303 14.363 440 HB3 PRO 53 1HB PRO 53 4.613 20.659 13.560 441 HG2 PRO 53 2HG PRO 53 3.435 18.297 13.672 442 HG3 PRO 53 1HG PRO 53 3.359 19.250 12.170 443 HD2 PRO 53 2HD PRO 53 5.054 16.847 12.805 444 HD3 PRO 53 1HD PRO 53 4.245 17.290 11.286 445 HA PRO 54 HA PRO 54 10.079 21.195 13.356 446 HB2 PRO 54 2HB PRO 54 8.975 23.700 14.607 447 HB3 PRO 54 1HB PRO 54 10.316 23.507 13.456 448 HG2 PRO 54 2HG PRO 54 7.989 24.535 12.653 449 HG3 PRO 54 1HG PRO 54 8.907 23.434 11.598 450 HD2 PRO 54 2HD PRO 54 6.494 22.828 13.309 451 HD3 PRO 54 1HD PRO 54 6.848 22.322 11.639 452 H GLY 55 H GLY 55 7.258 21.707 15.472 453 HA2 GLY 55 2HA GLY 55 8.753 21.411 17.949 454 HA3 GLY 55 1HA GLY 55 7.027 21.682 17.770 455 H ILE 56 H ILE 56 9.424 19.127 17.027 456 HA ILE 56 HA ILE 56 7.618 17.076 18.199 457 HB ILE 56 HB ILE 56 9.742 16.679 16.026 458 HG12 ILE 56 2HG1 ILE 56 7.822 17.852 15.063 459 HG13 ILE 56 1HG1 ILE 56 7.844 16.200 14.466 460 HG21 ILE 56 1HG2 ILE 56 9.530 14.687 17.439 461 HG22 ILE 56 2HG2 ILE 56 8.885 14.368 15.829 462 HG23 ILE 56 3HG2 ILE 56 7.784 14.658 17.176 463 HD11 ILE 56 1HD1 ILE 56 6.029 17.349 16.573 464 HD12 ILE 56 2HD1 ILE 56 6.070 15.648 16.102 465 HD13 ILE 56 3HD1 ILE 56 5.604 16.878 14.928 466 H THR 57 H THR 57 8.397 16.583 20.187 467 HA THR 57 HA THR 57 11.162 16.938 20.967 468 HB THR 57 HB THR 57 9.284 17.355 22.566 469 HG1 THR 57 HG1 THR 57 11.074 16.995 23.696 470 HG21 THR 57 1HG2 THR 57 7.758 15.524 21.922 471 HG22 THR 57 2HG2 THR 57 8.113 15.475 23.648 472 HG23 THR 57 3HG2 THR 57 8.902 14.337 22.554 473 H ARG 58 H ARG 58 12.205 14.986 22.226 474 HA ARG 58 HA ARG 58 12.814 13.030 20.239 475 HB2 ARG 58 2HB ARG 58 14.513 12.194 21.692 476 HB3 ARG 58 1HB ARG 58 14.469 13.929 21.948 477 HG2 ARG 58 2HG ARG 58 13.223 11.877 23.812 478 HG3 ARG 58 1HG ARG 58 14.814 12.598 24.035 479 HD2 ARG 58 2HD ARG 58 12.135 14.024 24.119 480 HD3 ARG 58 1HD ARG 58 13.217 13.710 25.481 481 HE ARG 58 HE ARG 58 14.582 15.209 23.505 482 HH11 ARG 58 1HH1 ARG 58 12.101 15.640 25.978 483 HH12 ARG 58 2HH1 ARG 58 12.435 17.334 26.166 484 HH21 ARG 58 1HH2 ARG 58 14.956 17.422 23.729 485 HH22 ARG 58 2HH2 ARG 58 14.051 18.341 24.891 486 H SER 59 H SER 59 10.614 13.027 22.930 487 HA SER 59 HA SER 59 10.246 10.203 23.184 488 HB2 SER 59 2HB SER 59 9.694 11.830 24.981 489 HB3 SER 59 1HB SER 59 8.391 12.483 23.989 490 HG SER 59 HG SER 59 8.611 9.807 24.918 491 H ILE 60 H ILE 60 8.459 12.797 21.518 492 HA ILE 60 HA ILE 60 6.441 11.165 20.348 493 HB ILE 60 HB ILE 60 7.418 13.978 19.669 494 HG12 ILE 60 2HG1 ILE 60 4.898 12.998 21.097 495 HG13 ILE 60 1HG1 ILE 60 6.316 13.674 21.890 496 HG21 ILE 60 1HG2 ILE 60 5.378 14.269 18.284 497 HG22 ILE 60 2HG2 ILE 60 4.991 12.562 18.499 498 HG23 ILE 60 3HG2 ILE 60 6.445 13.028 17.615 499 HD11 ILE 60 1HD1 ILE 60 4.446 15.120 20.028 500 HD12 ILE 60 2HD1 ILE 60 5.908 15.804 20.742 501 HD13 ILE 60 3HD1 ILE 60 4.573 15.306 21.778 502 H GLN 61 H GLN 61 9.528 12.441 19.208 503 HA GLN 61 HA GLN 61 9.705 11.488 16.613 504 HB2 GLN 61 2HB GLN 61 11.363 13.006 17.543 505 HB3 GLN 61 1HB GLN 61 11.811 11.841 18.783 506 HG2 GLN 61 2HG GLN 61 12.634 10.339 16.878 507 HG3 GLN 61 1HG GLN 61 12.439 11.738 15.821 508 HE21 GLN 61 1HE2 GLN 61 13.852 13.508 16.074 509 HE22 GLN 61 2HE2 GLN 61 15.313 13.392 16.988 510 H ASP 62 H ASP 62 10.581 9.876 19.672 511 HA ASP 62 HA ASP 62 11.539 7.433 18.681 512 HB2 ASP 62 2HB ASP 62 11.994 7.993 20.967 513 HB3 ASP 62 1HB ASP 62 10.292 8.225 21.345 514 H MET 63 H MET 63 8.246 8.331 19.755 515 HA MET 63 HA MET 63 7.012 5.812 19.493 516 HB2 MET 63 2HB MET 63 5.708 8.548 19.193 517 HB3 MET 63 1HB MET 63 4.851 7.036 19.455 518 HG2 MET 63 2HG MET 63 6.031 6.843 21.659 519 HG3 MET 63 1HG MET 63 6.665 8.467 21.392 520 HE1 MET 63 1HE MET 63 3.936 9.652 19.785 521 HE2 MET 63 2HE MET 63 4.913 10.612 20.903 522 HE3 MET 63 3HE MET 63 3.176 10.466 21.152 523 H VAL 64 H VAL 64 7.020 8.603 17.270 524 HA VAL 64 HA VAL 64 5.451 7.293 15.292 525 HB VAL 64 HB VAL 64 5.816 9.233 13.855 526 HG11 VAL 64 1HG1 VAL 64 4.814 10.954 15.305 527 HG12 VAL 64 2HG1 VAL 64 5.287 10.044 16.740 528 HG13 VAL 64 3HG1 VAL 64 4.106 9.369 15.615 529 HG21 VAL 64 1HG2 VAL 64 7.810 10.213 15.933 530 HG22 VAL 64 2HG2 VAL 64 7.249 11.121 14.526 531 HG23 VAL 64 3HG2 VAL 64 8.197 9.652 14.304 532 H ALA 65 H ALA 65 8.962 7.712 15.711 533 HA ALA 65 HA ALA 65 9.786 6.679 13.203 534 HB1 ALA 65 1HB ALA 65 11.343 7.825 14.729 535 HB2 ALA 65 2HB ALA 65 11.952 6.229 14.286 536 HB3 ALA 65 3HB ALA 65 11.225 6.492 15.876 537 H GLY 66 H GLY 66 8.878 5.137 16.265 538 HA2 GLY 66 2HA GLY 66 9.353 2.432 15.592 539 HA3 GLY 66 1HA GLY 66 8.173 3.009 16.765 540 H TYR 67 H TYR 67 6.579 4.564 15.051 541 HA TYR 67 HA TYR 67 4.861 2.581 13.910 542 HB2 TYR 67 2HB TYR 67 4.729 5.619 13.738 543 HB3 TYR 67 1HB TYR 67 3.436 4.525 13.253 544 HD1 TYR 67 HD1 TYR 67 3.727 6.815 15.557 545 HD2 TYR 67 HD2 TYR 67 3.532 2.537 15.542 546 HE1 TYR 67 HE1 TYR 67 2.839 6.842 17.847 547 HE2 TYR 67 HE2 TYR 67 2.640 2.577 17.829 548 HH TYR 67 HH TYR 67 1.481 5.390 19.319 549 H ILE 68 H ILE 68 7.286 4.784 12.593 550 HA ILE 68 HA ILE 68 6.644 4.343 9.824 551 HB ILE 68 HB ILE 68 9.352 5.293 10.900 552 HG12 ILE 68 2HG1 ILE 68 7.042 7.042 9.950 553 HG13 ILE 68 1HG1 ILE 68 7.454 6.795 11.628 554 HG21 ILE 68 1HG2 ILE 68 9.410 4.506 8.560 555 HG22 ILE 68 2HG2 ILE 68 9.624 6.255 8.614 556 HG23 ILE 68 3HG2 ILE 68 8.065 5.573 8.146 557 HD11 ILE 68 1HD1 ILE 68 9.215 8.107 9.572 558 HD12 ILE 68 2HD1 ILE 68 9.610 7.869 11.278 559 HD13 ILE 68 3HD1 ILE 68 8.270 8.919 10.822 560 H LYS 69 H LYS 69 8.829 2.894 12.201 561 HA LYS 69 HA LYS 69 10.233 1.107 10.537 562 HB2 LYS 69 2HB LYS 69 10.791 1.679 12.926 563 HB3 LYS 69 1HB LYS 69 9.414 0.739 13.464 564 HG2 LYS 69 2HG LYS 69 11.733 -0.488 11.928 565 HG3 LYS 69 1HG LYS 69 11.739 -0.331 13.679 566 HD2 LYS 69 2HD LYS 69 9.814 -1.988 12.008 567 HD3 LYS 69 1HD LYS 69 11.090 -2.595 13.061 568 HE2 LYS 69 2HE LYS 69 8.627 -1.070 13.994 569 HE3 LYS 69 1HE LYS 69 8.850 -2.815 14.093 570 HZ1 LYS 69 1HZ LYS 69 9.313 -1.753 16.189 571 HZ2 LYS 69 2HZ LYS 69 10.499 -0.783 15.482 572 HZ3 LYS 69 3HZ LYS 69 10.720 -2.455 15.568 573 H GLN 70 H GLN 70 7.142 0.799 12.290 574 HA GLN 70 HA GLN 70 6.539 -1.862 11.604 575 HB2 GLN 70 2HB GLN 70 4.672 0.421 12.337 576 HB3 GLN 70 1HB GLN 70 4.167 -1.261 12.198 577 HG2 GLN 70 2HG GLN 70 5.769 -1.851 14.028 578 HG3 GLN 70 1HG GLN 70 6.159 -0.143 14.193 579 HE21 GLN 70 1HE2 GLN 70 2.912 -1.473 13.607 580 HE22 GLN 70 2HE2 GLN 70 2.258 -0.989 15.128 581 H THR 71 H THR 71 5.547 1.232 10.069 582 HA THR 71 HA THR 71 3.893 0.023 8.132 583 HB THR 71 HB THR 71 3.680 2.437 8.760 584 HG1 THR 71 HG1 THR 71 3.056 1.357 6.607 585 HG21 THR 71 1HG2 THR 71 6.043 2.917 6.918 586 HG22 THR 71 2HG2 THR 71 6.059 3.125 8.666 587 HG23 THR 71 3HG2 THR 71 5.031 4.154 7.670 588 H LEU 72 H LEU 72 7.328 1.039 7.984 589 HA LEU 72 HA LEU 72 7.858 0.511 5.280 590 HB2 LEU 72 2HB LEU 72 9.674 0.404 7.716 591 HB3 LEU 72 1HB LEU 72 10.284 0.179 6.086 592 HG LEU 72 HG LEU 72 8.924 2.711 7.084 593 HD11 LEU 72 1HD1 LEU 72 11.154 3.733 7.042 594 HD12 LEU 72 2HD1 LEU 72 11.879 2.184 6.602 595 HD13 LEU 72 3HD1 LEU 72 11.100 2.381 8.174 596 HD21 LEU 72 1HD2 LEU 72 8.575 2.391 4.693 597 HD22 LEU 72 2HD2 LEU 72 10.301 2.115 4.441 598 HD23 LEU 72 3HD2 LEU 72 9.726 3.698 4.965 599 H ASP 73 H ASP 73 8.084 -1.592 8.106 600 HA ASP 73 HA ASP 73 9.281 -3.861 6.925 601 HB2 ASP 73 2HB ASP 73 9.265 -3.550 9.350 602 HB3 ASP 73 1HB ASP 73 7.508 -3.537 9.390 603 H ASN 74 H ASN 74 5.863 -3.173 7.708 604 HA ASN 74 HA ASN 74 4.821 -5.599 6.658 605 HB2 ASN 74 2HB ASN 74 3.355 -2.993 7.250 606 HB3 ASN 74 1HB ASN 74 2.602 -4.570 7.038 607 HD21 ASN 74 1HD2 ASN 74 4.835 -5.889 8.663 608 HD22 ASN 74 2HD2 ASN 74 4.440 -5.489 10.290 609 H GLU 75 H GLU 75 5.220 -2.358 5.339 610 HA GLU 75 HA GLU 75 3.719 -2.717 2.925 611 HB2 GLU 75 2HB GLU 75 4.026 -0.557 4.064 612 HB3 GLU 75 1HB GLU 75 5.749 -0.607 3.742 613 HG2 GLU 75 2HG GLU 75 5.411 -0.246 1.406 614 HG3 GLU 75 1HG GLU 75 3.674 -0.525 1.543 615 H GLN 76 H GLN 76 7.069 -3.161 3.838 616 HA GLN 76 HA GLN 76 8.230 -3.678 1.294 617 HB2 GLN 76 2HB GLN 76 9.621 -3.346 3.265 618 HB3 GLN 76 1HB GLN 76 8.866 -4.700 4.089 619 HG2 GLN 76 2HG GLN 76 9.879 -6.216 2.327 620 HG3 GLN 76 1HG GLN 76 10.773 -4.817 1.737 621 HE21 GLN 76 1HE2 GLN 76 10.114 -5.464 5.167 622 HE22 GLN 76 2HE2 GLN 76 11.758 -5.776 5.596 623 H LEU 77 H LEU 77 6.628 -5.737 3.701 624 HA LEU 77 HA LEU 77 6.853 -8.190 2.254 625 HB2 LEU 77 2HB LEU 77 4.927 -7.403 4.464 626 HB3 LEU 77 1HB LEU 77 5.213 -9.047 3.909 627 HG LEU 77 HG LEU 77 7.284 -7.262 5.255 628 HD11 LEU 77 1HD1 LEU 77 7.077 -8.780 7.176 629 HD12 LEU 77 2HD1 LEU 77 5.763 -9.632 6.367 630 HD13 LEU 77 3HD1 LEU 77 5.566 -7.942 6.832 631 HD21 LEU 77 1HD2 LEU 77 8.698 -9.283 5.343 632 HD22 LEU 77 2HD2 LEU 77 8.361 -8.785 3.688 633 HD23 LEU 77 3HD2 LEU 77 7.504 -10.162 4.384 634 H LEU 78 H LEU 78 4.417 -5.614 2.321 635 HA LEU 78 HA LEU 78 2.426 -6.848 0.702 636 HB2 LEU 78 2HB LEU 78 3.158 -3.899 0.952 637 HB3 LEU 78 1HB LEU 78 1.712 -4.501 0.154 638 HG LEU 78 HG LEU 78 2.315 -4.842 3.109 639 HD11 LEU 78 1HD1 LEU 78 0.735 -3.084 3.527 640 HD12 LEU 78 2HD1 LEU 78 0.375 -2.912 1.808 641 HD13 LEU 78 3HD1 LEU 78 1.969 -2.474 2.429 642 HD21 LEU 78 1HD2 LEU 78 -0.220 -5.449 1.545 643 HD22 LEU 78 2HD2 LEU 78 -0.030 -5.566 3.295 644 HD23 LEU 78 3HD2 LEU 78 0.885 -6.638 2.241 645 H LYS 79 H LYS 79 5.278 -4.871 -0.018 646 HA LYS 79 HA LYS 79 5.006 -4.518 -2.762 647 HB2 LYS 79 2HB LYS 79 6.706 -3.330 -1.467 648 HB3 LYS 79 1HB LYS 79 7.517 -4.840 -1.066 649 HG2 LYS 79 2HG LYS 79 8.063 -5.145 -3.490 650 HG3 LYS 79 1HG LYS 79 7.345 -3.564 -3.819 651 HD2 LYS 79 2HD LYS 79 9.025 -2.467 -2.407 652 HD3 LYS 79 1HD LYS 79 9.680 -4.037 -1.926 653 HE2 LYS 79 2HE LYS 79 11.104 -2.997 -3.620 654 HE3 LYS 79 1HE LYS 79 10.366 -4.464 -4.264 655 HZ1 LYS 79 1HZ LYS 79 9.383 -1.704 -4.761 656 HZ2 LYS 79 2HZ LYS 79 8.769 -3.126 -5.447 657 HZ3 LYS 79 3HZ LYS 79 10.332 -2.605 -5.832 658 H GLY 80 H GLY 80 6.735 -7.145 -1.004 659 HA2 GLY 80 2HA GLY 80 7.460 -8.656 -3.309 660 HA3 GLY 80 1HA GLY 80 7.460 -9.234 -1.652 661 H LEU 81 H LEU 81 4.794 -9.043 -0.989 662 HA LEU 81 HA LEU 81 3.762 -11.496 -1.930 663 HB2 LEU 81 2HB LEU 81 3.401 -10.411 0.320 664 HB3 LEU 81 1HB LEU 81 2.303 -9.276 -0.425 665 HG LEU 81 HG LEU 81 1.751 -12.284 -0.406 666 HD11 LEU 81 1HD1 LEU 81 0.327 -11.927 1.572 667 HD12 LEU 81 2HD1 LEU 81 0.864 -10.249 1.671 668 HD13 LEU 81 3HD1 LEU 81 2.017 -11.563 1.920 669 HD21 LEU 81 1HD2 LEU 81 0.378 -11.007 -2.011 670 HD22 LEU 81 2HD2 LEU 81 -0.144 -9.921 -0.725 671 HD23 LEU 81 3HD2 LEU 81 -0.613 -11.623 -0.689 672 H LEU 82 H LEU 82 2.560 -8.165 -2.423 673 HA LEU 82 HA LEU 82 0.578 -8.867 -4.332 674 HB2 LEU 82 2HB LEU 82 1.781 -6.120 -3.808 675 HB3 LEU 82 1HB LEU 82 0.290 -6.439 -4.679 676 HG LEU 82 HG LEU 82 0.765 -6.913 -1.705 677 HD11 LEU 82 1HD1 LEU 82 -0.869 -5.105 -1.354 678 HD12 LEU 82 2HD1 LEU 82 -0.968 -4.843 -3.097 679 HD13 LEU 82 3HD1 LEU 82 0.547 -4.542 -2.242 680 HD21 LEU 82 1HD2 LEU 82 -0.740 -8.629 -2.584 681 HD22 LEU 82 2HD2 LEU 82 -1.768 -7.390 -3.303 682 HD23 LEU 82 3HD2 LEU 82 -1.614 -7.500 -1.549 683 H GLN 83 H GLN 83 4.016 -8.129 -4.643 684 HA GLN 83 HA GLN 83 4.147 -7.535 -7.404 685 HB2 GLN 83 2HB GLN 83 6.090 -7.307 -5.899 686 HB3 GLN 83 1HB GLN 83 6.146 -9.047 -5.672 687 HG2 GLN 83 2HG GLN 83 6.700 -9.302 -8.095 688 HG3 GLN 83 1HG GLN 83 6.733 -7.544 -8.241 689 HE21 GLN 83 1HE2 GLN 83 7.960 -9.350 -5.435 690 HE22 GLN 83 2HE2 GLN 83 9.618 -8.951 -5.695 691 H GLN 84 H GLN 84 4.312 -10.620 -5.659 692 HA GLN 84 HA GLN 84 4.443 -12.401 -7.835 693 HB2 GLN 84 2HB GLN 84 3.104 -12.801 -5.127 694 HB3 GLN 84 1HB GLN 84 3.526 -14.086 -6.251 695 HG2 GLN 84 2HG GLN 84 5.925 -13.504 -5.992 696 HG3 GLN 84 1HG GLN 84 5.477 -12.261 -4.823 697 HE21 GLN 84 1HE2 GLN 84 3.942 -15.454 -5.048 698 HE22 GLN 84 2HE2 GLN 84 4.532 -16.027 -3.531 699 H ARG 85 H ARG 85 1.646 -11.142 -6.039 700 HA ARG 85 HA ARG 85 -0.398 -12.562 -7.322 701 HB2 ARG 85 2HB ARG 85 -0.543 -9.824 -6.001 702 HB3 ARG 85 1HB ARG 85 -1.925 -10.851 -6.357 703 HG2 ARG 85 2HG ARG 85 0.314 -11.692 -4.497 704 HG3 ARG 85 1HG ARG 85 -1.116 -10.826 -3.949 705 HD2 ARG 85 2HD ARG 85 -1.552 -13.081 -3.473 706 HD3 ARG 85 1HD ARG 85 -2.483 -12.754 -4.927 707 HE ARG 85 HE ARG 85 -0.371 -13.854 -6.049 708 HH11 ARG 85 1HH1 ARG 85 -1.946 -14.877 -3.062 709 HH12 ARG 85 2HH1 ARG 85 -1.507 -16.544 -3.260 710 HH21 ARG 85 1HH2 ARG 85 0.148 -16.081 -6.310 711 HH22 ARG 85 2HH2 ARG 85 -0.326 -17.225 -5.083 712 H LEU 86 H LEU 86 0.841 -9.282 -7.974 713 HA LEU 86 HA LEU 86 -0.932 -8.646 -10.097 714 HB2 LEU 86 2HB LEU 86 1.730 -7.421 -9.284 715 HB3 LEU 86 1HB LEU 86 0.728 -6.768 -10.571 716 HG LEU 86 HG LEU 86 -0.078 -6.964 -7.641 717 HD11 LEU 86 1HD1 LEU 86 0.089 -4.524 -7.614 718 HD12 LEU 86 2HD1 LEU 86 0.659 -4.525 -9.285 719 HD13 LEU 86 3HD1 LEU 86 1.639 -5.262 -8.015 720 HD21 LEU 86 1HD2 LEU 86 -2.043 -5.615 -8.301 721 HD22 LEU 86 2HD2 LEU 86 -2.040 -7.209 -9.045 722 HD23 LEU 86 3HD2 LEU 86 -1.588 -5.791 -9.995 723 H ASP 87 H ASP 87 2.247 -10.167 -10.008 724 HA ASP 87 HA ASP 87 2.911 -10.062 -12.754 725 HB2 ASP 87 2HB ASP 87 4.582 -10.722 -11.083 726 HB3 ASP 87 1HB ASP 87 3.625 -12.119 -10.603 727 H GLU 88 H GLU 88 1.205 -12.503 -10.818 728 HA GLU 88 HA GLU 88 0.497 -14.341 -12.835 729 HB2 GLU 88 2HB GLU 88 -0.895 -13.672 -10.207 730 HB3 GLU 88 1HB GLU 88 -1.252 -15.094 -11.185 731 HG2 GLU 88 2HG GLU 88 0.922 -16.036 -10.787 732 HG3 GLU 88 1HG GLU 88 1.519 -14.527 -10.091 733 H LEU 89 H LEU 89 -1.469 -11.739 -11.333 734 HA LEU 89 HA LEU 89 -3.789 -12.038 -12.852 735 HB2 LEU 89 2HB LEU 89 -2.727 -9.502 -11.522 736 HB3 LEU 89 1HB LEU 89 -4.364 -9.702 -12.125 737 HG LEU 89 HG LEU 89 -3.116 -11.233 -9.809 738 HD11 LEU 89 1HD1 LEU 89 -4.725 -10.047 -8.394 739 HD12 LEU 89 2HD1 LEU 89 -5.327 -9.158 -9.797 740 HD13 LEU 89 3HD1 LEU 89 -3.669 -8.912 -9.240 741 HD21 LEU 89 1HD2 LEU 89 -5.927 -11.475 -10.924 742 HD22 LEU 89 2HD2 LEU 89 -5.321 -12.247 -9.455 743 HD23 LEU 89 3HD2 LEU 89 -4.655 -12.696 -11.020 744 H SER 90 H SER 90 -0.932 -10.016 -13.465 745 HA SER 90 HA SER 90 -1.852 -8.532 -15.677 746 HB2 SER 90 2HB SER 90 0.232 -7.997 -14.429 747 HB3 SER 90 1HB SER 90 1.002 -9.442 -15.082 748 HG SER 90 HG SER 90 1.206 -8.489 -16.989 749 H SER 91 H SER 91 -0.059 -11.625 -15.505 750 HA SER 91 HA SER 91 0.125 -12.076 -18.293 751 HB2 SER 91 2HB SER 91 1.551 -13.214 -16.597 752 HB3 SER 91 1HB SER 91 0.147 -14.133 -16.049 753 HG SER 91 HG SER 91 1.736 -14.498 -18.264 754 H LEU 92 H LEU 92 -2.322 -12.992 -15.882 755 HA LEU 92 HA LEU 92 -3.821 -14.803 -17.463 756 HB2 LEU 92 2HB LEU 92 -4.692 -13.142 -15.063 757 HB3 LEU 92 1HB LEU 92 -5.629 -14.460 -15.754 758 HG LEU 92 HG LEU 92 -2.886 -14.752 -14.462 759 HD11 LEU 92 1HD1 LEU 92 -4.592 -14.245 -12.792 760 HD12 LEU 92 2HD1 LEU 92 -4.035 -15.908 -12.631 761 HD13 LEU 92 3HD1 LEU 92 -5.597 -15.571 -13.383 762 HD21 LEU 92 1HD2 LEU 92 -4.733 -16.894 -15.557 763 HD22 LEU 92 2HD2 LEU 92 -3.247 -17.181 -14.650 764 HD23 LEU 92 3HD2 LEU 92 -3.174 -16.402 -16.227 765 H ILE 93 H ILE 93 -4.324 -11.346 -16.738 766 HA ILE 93 HA ILE 93 -6.570 -10.860 -18.386 767 HB ILE 93 HB ILE 93 -4.344 -8.915 -17.579 768 HG12 ILE 93 2HG1 ILE 93 -7.051 -9.296 -16.215 769 HG13 ILE 93 1HG1 ILE 93 -5.560 -10.035 -15.644 770 HG21 ILE 93 1HG2 ILE 93 -7.155 -8.292 -18.579 771 HG22 ILE 93 2HG2 ILE 93 -5.652 -8.007 -19.458 772 HG23 ILE 93 3HG2 ILE 93 -5.997 -7.102 -17.984 773 HD11 ILE 93 1HD1 ILE 93 -6.080 -8.046 -14.386 774 HD12 ILE 93 2HD1 ILE 93 -6.087 -7.075 -15.857 775 HD13 ILE 93 3HD1 ILE 93 -4.588 -7.823 -15.296 776 H GLY 94 H GLY 94 -3.074 -10.726 -18.967 777 HA2 GLY 94 2HA GLY 94 -3.022 -9.601 -21.533 778 HA3 GLY 94 1HA GLY 94 -1.790 -10.652 -20.853 779 H GLN 95 H GLN 95 -3.682 -12.910 -20.524 780 HA GLN 95 HA GLN 95 -3.530 -14.010 -23.225 781 HB2 GLN 95 2HB GLN 95 -4.398 -15.302 -20.599 782 HB3 GLN 95 1HB GLN 95 -4.204 -16.154 -22.125 783 HG2 GLN 95 2HG GLN 95 -2.010 -14.817 -20.526 784 HG3 GLN 95 1HG GLN 95 -2.289 -16.549 -20.678 785 HE21 GLN 95 1HE2 GLN 95 -1.786 -17.559 -22.682 786 HE22 GLN 95 2HE2 GLN 95 -0.728 -16.816 -23.828 787 H VAL 96 H VAL 96 -6.087 -13.436 -20.758 788 HA VAL 96 HA VAL 96 -8.136 -14.640 -22.401 789 HB VAL 96 HB VAL 96 -9.721 -14.149 -20.599 790 HG11 VAL 96 1HG1 VAL 96 -8.320 -16.143 -20.368 791 HG12 VAL 96 2HG1 VAL 96 -8.680 -15.460 -18.785 792 HG13 VAL 96 3HG1 VAL 96 -7.088 -15.213 -19.509 793 HG21 VAL 96 1HG2 VAL 96 -8.960 -11.909 -19.907 794 HG22 VAL 96 2HG2 VAL 96 -7.495 -12.597 -19.211 795 HG23 VAL 96 3HG2 VAL 96 -9.070 -12.984 -18.511 796 H LEU 97 H LEU 97 -7.237 -11.306 -21.538 797 HA LEU 97 HA LEU 97 -9.405 -10.124 -23.061 798 HB2 LEU 97 2HB LEU 97 -8.119 -9.102 -21.005 799 HB3 LEU 97 1HB LEU 97 -6.890 -8.650 -22.168 800 HG LEU 97 HG LEU 97 -9.790 -7.675 -22.160 801 HD11 LEU 97 1HD1 LEU 97 -8.866 -5.485 -21.532 802 HD12 LEU 97 2HD1 LEU 97 -7.248 -6.185 -21.439 803 HD13 LEU 97 3HD1 LEU 97 -8.508 -6.717 -20.324 804 HD21 LEU 97 1HD2 LEU 97 -9.138 -6.063 -23.907 805 HD22 LEU 97 2HD2 LEU 97 -8.980 -7.724 -24.467 806 HD23 LEU 97 3HD2 LEU 97 -7.541 -6.813 -24.010 807 H PHE 98 H PHE 98 -9.359 -10.383 -25.196 808 HA PHE 98 HA PHE 98 -6.894 -10.609 -26.726 809 HB2 PHE 98 2HB PHE 98 -9.766 -10.589 -27.735 810 HB3 PHE 98 1HB PHE 98 -8.344 -11.135 -28.617 811 HD1 PHE 98 HD1 PHE 98 -7.079 -13.199 -27.667 812 HD2 PHE 98 HD2 PHE 98 -11.042 -12.135 -26.445 813 HE1 PHE 98 HE1 PHE 98 -7.449 -15.489 -26.846 814 HE2 PHE 98 HE2 PHE 98 -11.401 -14.427 -25.626 815 HZ PHE 98 HZ PHE 98 -9.607 -16.105 -25.825 816 H GLN 99 H GLN 99 -6.015 -8.574 -26.410 817 HA GLN 99 HA GLN 99 -7.466 -6.131 -27.084 818 HB2 GLN 99 2HB GLN 99 -5.291 -5.016 -26.299 819 HB3 GLN 99 1HB GLN 99 -6.194 -5.921 -25.098 820 HG2 GLN 99 2HG GLN 99 -3.919 -6.404 -24.694 821 HG3 GLN 99 1HG GLN 99 -4.589 -7.840 -25.450 822 HE21 GLN 99 1HE2 GLN 99 -3.609 -4.938 -27.240 823 HE22 GLN 99 2HE2 GLN 99 -2.261 -5.681 -28.016 824 H GLY 100 H GLY 100 -6.531 -8.218 -29.123 825 HA2 GLY 100 2HA GLY 100 -6.343 -6.864 -31.407 826 HA3 GLY 100 1HA GLY 100 -4.679 -6.755 -30.831 827 HA PRO 101 HA PRO 101 -4.008 -10.925 -32.304 828 HB2 PRO 101 2HB PRO 101 -2.079 -11.614 -30.200 829 HB3 PRO 101 1HB PRO 101 -1.749 -11.065 -31.854 830 HG2 PRO 101 2HG PRO 101 -1.167 -9.561 -29.642 831 HG3 PRO 101 1HG PRO 101 -1.518 -8.864 -31.239 832 HD2 PRO 101 2HD PRO 101 -3.374 -9.189 -28.880 833 HD3 PRO 101 1HD PRO 101 -3.134 -7.778 -29.941 834 H SER 102 H SER 102 -3.554 -13.277 -31.416 835 HA SER 102 HA SER 102 -4.205 -15.191 -30.446 836 HB2 SER 102 2HB SER 102 -5.014 -13.452 -28.083 837 HB3 SER 102 1HB SER 102 -4.789 -15.204 -28.047 838 HG SER 102 HG SER 102 -2.925 -13.192 -28.007 839 H ALA 103 H ALA 103 -6.186 -13.354 -31.896 840 HA ALA 103 HA ALA 103 -8.449 -15.170 -31.725 841 HB1 ALA 103 1HB ALA 103 -10.137 -13.381 -31.432 842 HB2 ALA 103 2HB ALA 103 -8.845 -12.194 -31.218 843 HB3 ALA 103 3HB ALA 103 -9.063 -13.479 -30.033 844 H GLY 104 H GLY 104 -9.873 -14.945 -33.572 845 HA2 GLY 104 2HA GLY 104 -8.565 -14.467 -36.031 846 HA3 GLY 104 1HA GLY 104 -10.290 -14.739 -35.825 847 H LEU 105 H LEU 105 -11.293 -12.718 -34.554 848 HA LEU 105 HA LEU 105 -10.535 -10.232 -35.964 849 HB2 LEU 105 2HB LEU 105 -12.770 -9.384 -35.083 850 HB3 LEU 105 1HB LEU 105 -12.843 -10.664 -36.271 851 HG LEU 105 HG LEU 105 -13.208 -12.293 -34.292 852 HD11 LEU 105 1HD1 LEU 105 -14.214 -11.389 -32.251 853 HD12 LEU 105 2HD1 LEU 105 -13.871 -9.745 -32.794 854 HD13 LEU 105 3HD1 LEU 105 -12.545 -10.852 -32.439 855 HD21 LEU 105 1HD2 LEU 105 -15.379 -10.271 -34.920 856 HD22 LEU 105 2HD2 LEU 105 -15.625 -11.879 -34.232 857 HD23 LEU 105 3HD2 LEU 105 -14.983 -11.710 -35.864 858 H VAL 106 H VAL 106 -11.191 -8.255 -34.314 859 HA VAL 106 HA VAL 106 -9.572 -8.643 -31.857 860 HB VAL 106 HB VAL 106 -10.130 -6.046 -33.382 861 HG11 VAL 106 1HG1 VAL 106 -8.238 -6.569 -31.052 862 HG12 VAL 106 2HG1 VAL 106 -9.740 -5.646 -30.981 863 HG13 VAL 106 3HG1 VAL 106 -8.383 -5.046 -31.935 864 HG21 VAL 106 1HG2 VAL 106 -7.573 -7.701 -33.321 865 HG22 VAL 106 2HG2 VAL 106 -7.788 -6.153 -34.142 866 HG23 VAL 106 3HG2 VAL 106 -8.682 -7.571 -34.689 867 HA PRO 107 HA PRO 107 -13.714 -7.678 -30.040 868 HB2 PRO 107 2HB PRO 107 -13.707 -9.546 -28.070 869 HB3 PRO 107 1HB PRO 107 -14.060 -9.983 -29.753 870 HG2 PRO 107 2HG PRO 107 -11.599 -10.479 -28.164 871 HG3 PRO 107 1HG PRO 107 -12.300 -11.430 -29.491 872 HD2 PRO 107 2HD PRO 107 -10.148 -9.551 -29.692 873 HD3 PRO 107 1HD PRO 107 -10.983 -10.368 -31.029 874 H ARG 108 H ARG 108 -11.684 -5.953 -29.746 875 HA ARG 108 HA ARG 108 -11.140 -5.561 -26.873 876 HB2 ARG 108 2HB ARG 108 -9.230 -5.473 -28.506 877 HB3 ARG 108 1HB ARG 108 -10.013 -4.136 -29.336 878 HG2 ARG 108 2HG ARG 108 -9.777 -2.754 -27.268 879 HG3 ARG 108 1HG ARG 108 -8.917 -4.093 -26.497 880 HD2 ARG 108 2HD ARG 108 -7.368 -2.383 -27.401 881 HD3 ARG 108 1HD ARG 108 -7.138 -3.955 -28.168 882 HE ARG 108 HE ARG 108 -8.887 -2.055 -29.546 883 HH11 ARG 108 1HH1 ARG 108 -5.639 -3.440 -29.388 884 HH12 ARG 108 2HH1 ARG 108 -5.228 -2.935 -30.996 885 HH21 ARG 108 1HH2 ARG 108 -8.308 -1.400 -31.624 886 HH22 ARG 108 2HH2 ARG 108 -6.740 -1.781 -32.262 887 H GLY 109 H GLY 109 -13.754 -5.318 -27.429 888 HA2 GLY 109 2HA GLY 109 -14.645 -2.619 -27.818 889 HA3 GLY 109 1HA GLY 109 -15.557 -3.947 -27.101 890 H SER 110 H SER 110 -13.425 -1.265 -26.469 891 HA SER 110 HA SER 110 -12.805 -1.727 -23.767 892 HB2 SER 110 2HB SER 110 -12.997 0.930 -25.255 893 HB3 SER 110 1HB SER 110 -12.152 0.664 -23.729 894 HG SER 110 HG SER 110 -10.607 -0.444 -24.746 895 H GLY 111 H GLY 111 -14.583 -2.327 -22.612 896 HA2 GLY 111 2HA GLY 111 -16.131 -0.871 -21.047 897 HA3 GLY 111 1HA GLY 111 -17.048 -0.722 -22.547 898 H GLY 112 H GLY 112 -16.539 -3.331 -23.597 899 HA2 GLY 112 2HA GLY 112 -17.301 -5.364 -21.719 900 HA3 GLY 112 1HA GLY 112 -18.681 -4.789 -22.647 901 H ILE 113 H ILE 113 -17.214 -7.400 -22.531 902 HA ILE 113 HA ILE 113 -16.867 -7.821 -25.445 903 HB ILE 113 HB ILE 113 -15.699 -9.689 -23.303 904 HG12 ILE 113 2HG1 ILE 113 -13.389 -8.651 -24.118 905 HG13 ILE 113 1HG1 ILE 113 -14.362 -7.255 -24.552 906 HG21 ILE 113 1HG2 ILE 113 -16.042 -10.696 -25.529 907 HG22 ILE 113 2HG2 ILE 113 -14.322 -10.573 -25.160 908 HG23 ILE 113 3HG2 ILE 113 -15.068 -9.423 -26.272 909 HD11 ILE 113 1HD1 ILE 113 -14.031 -8.437 -21.793 910 HD12 ILE 113 2HD1 ILE 113 -15.060 -7.057 -22.185 911 HD13 ILE 113 3HD1 ILE 113 -13.312 -6.945 -22.401 912 H GLU 114 H GLU 114 -17.719 -9.994 -26.159 913 HA GLU 114 HA GLU 114 -20.290 -10.608 -24.984 914 HB2 GLU 114 2HB GLU 114 -20.470 -12.250 -26.875 915 HB3 GLU 114 1HB GLU 114 -20.110 -10.614 -27.404 916 HG2 GLU 114 2HG GLU 114 -17.754 -11.210 -27.765 917 HG3 GLU 114 1HG GLU 114 -18.055 -12.840 -27.161 918 H GLY 115 H GLY 115 -20.743 -12.252 -23.568 919 HA2 GLY 115 2HA GLY 115 -20.701 -14.433 -22.738 920 HA3 GLY 115 1HA GLY 115 -19.158 -14.719 -23.524 921 H SER 428 H SER 428 -18.801 -15.769 -21.397 922 HA SER 428 HA SER 428 -18.630 -14.287 -18.957 923 HB2 SER 428 2HB SER 428 -19.140 -16.729 -19.064 924 HB3 SER 428 1HB SER 428 -17.497 -17.046 -19.622 925 HG SER 428 HG SER 428 -16.926 -15.858 -17.542 926 H ILE 429 H ILE 429 -16.415 -14.735 -21.582 927 HA ILE 429 HA ILE 429 -13.929 -14.333 -20.357 928 HB ILE 429 HB ILE 429 -14.097 -14.963 -22.709 929 HG12 ILE 429 2HG1 ILE 429 -12.063 -13.475 -21.831 930 HG13 ILE 429 1HG1 ILE 429 -12.185 -13.903 -23.528 931 HG21 ILE 429 1HG2 ILE 429 -15.211 -12.207 -23.277 932 HG22 ILE 429 2HG2 ILE 429 -16.079 -13.738 -23.375 933 HG23 ILE 429 3HG2 ILE 429 -14.758 -13.402 -24.497 934 HD11 ILE 429 1HD1 ILE 429 -12.966 -11.235 -22.329 935 HD12 ILE 429 2HD1 ILE 429 -13.040 -11.661 -24.041 936 HD13 ILE 429 3HD1 ILE 429 -11.484 -11.593 -23.216 937 H ASP 430 H ASP 430 -16.465 -12.033 -21.215 938 HA ASP 430 HA ASP 430 -15.181 -9.604 -20.692 939 HB2 ASP 430 2HB ASP 430 -17.318 -9.595 -21.772 940 HB3 ASP 430 1HB ASP 430 -18.080 -10.476 -20.456 941 H GLU 431 H GLU 431 -16.908 -11.824 -18.505 942 HA GLU 431 HA GLU 431 -16.881 -10.147 -16.213 943 HB2 GLU 431 2HB GLU 431 -17.187 -13.169 -16.406 944 HB3 GLU 431 1HB GLU 431 -17.476 -12.219 -14.952 945 HG2 GLU 431 2HG GLU 431 -19.307 -11.011 -16.118 946 HG3 GLU 431 1HG GLU 431 -19.036 -12.009 -17.548 947 H THR 432 H THR 432 -14.789 -12.908 -17.204 948 HA THR 432 HA THR 432 -13.185 -12.851 -14.856 949 HB THR 432 HB THR 432 -13.306 -14.877 -16.265 950 HG1 THR 432 HG1 THR 432 -11.494 -14.530 -14.877 951 HG21 THR 432 1HG2 THR 432 -13.243 -13.875 -18.517 952 HG22 THR 432 2HG2 THR 432 -11.972 -15.083 -18.327 953 HG23 THR 432 3HG2 THR 432 -11.574 -13.366 -18.254 954 H VAL 433 H VAL 433 -12.841 -11.228 -18.010 955 HA VAL 433 HA VAL 433 -10.361 -9.956 -17.522 956 HB VAL 433 HB VAL 433 -12.741 -9.091 -19.234 957 HG11 VAL 433 1HG1 VAL 433 -11.262 -7.376 -20.275 958 HG12 VAL 433 2HG1 VAL 433 -10.030 -7.713 -19.058 959 HG13 VAL 433 3HG1 VAL 433 -11.582 -7.028 -18.572 960 HG21 VAL 433 1HG2 VAL 433 -10.004 -10.179 -20.003 961 HG22 VAL 433 2HG2 VAL 433 -11.284 -9.725 -21.131 962 HG23 VAL 433 3HG2 VAL 433 -11.519 -11.083 -20.028 963 H ALA 434 H ALA 434 -13.718 -8.960 -16.821 964 HA ALA 434 HA ALA 434 -13.193 -6.402 -15.797 965 HB1 ALA 434 1HB ALA 434 -15.490 -6.487 -14.918 966 HB2 ALA 434 2HB ALA 434 -15.535 -8.235 -15.163 967 HB3 ALA 434 3HB ALA 434 -15.421 -7.152 -16.551 968 H ARG 435 H ARG 435 -13.305 -9.564 -14.137 969 HA ARG 435 HA ARG 435 -13.276 -8.440 -11.475 970 HB2 ARG 435 2HB ARG 435 -12.751 -11.327 -12.321 971 HB3 ARG 435 1HB ARG 435 -13.075 -10.772 -10.682 972 HG2 ARG 435 2HG ARG 435 -14.991 -10.870 -13.019 973 HG3 ARG 435 1HG ARG 435 -15.092 -11.756 -11.504 974 HD2 ARG 435 2HD ARG 435 -15.612 -9.708 -10.289 975 HD3 ARG 435 1HD ARG 435 -15.347 -8.736 -11.739 976 HE ARG 435 HE ARG 435 -17.501 -10.753 -11.557 977 HH11 ARG 435 1HH1 ARG 435 -16.510 -7.455 -12.310 978 HH12 ARG 435 2HH1 ARG 435 -18.077 -7.008 -12.912 979 HH21 ARG 435 1HH2 ARG 435 -19.526 -10.135 -12.302 980 HH22 ARG 435 2HH2 ARG 435 -19.783 -8.531 -12.904 981 H TYR 436 H TYR 436 -10.910 -10.284 -13.449 982 HA TYR 436 HA TYR 436 -8.803 -10.064 -11.540 983 HB2 TYR 436 2HB TYR 436 -8.822 -10.865 -14.473 984 HB3 TYR 436 1HB TYR 436 -7.338 -10.819 -13.525 985 HD1 TYR 436 HD1 TYR 436 -6.676 -12.770 -12.361 986 HD2 TYR 436 HD2 TYR 436 -10.789 -12.344 -13.436 987 HE1 TYR 436 HE1 TYR 436 -7.129 -15.057 -11.575 988 HE2 TYR 436 HE2 TYR 436 -11.239 -14.622 -12.650 989 HH TYR 436 HH TYR 436 -9.988 -16.728 -12.292 990 H LYS 437 H LYS 437 -9.885 -7.983 -14.157 991 HA LYS 437 HA LYS 437 -7.520 -6.333 -14.255 992 HB2 LYS 437 2HB LYS 437 -8.975 -6.442 -16.222 993 HB3 LYS 437 1HB LYS 437 -10.336 -5.808 -15.305 994 HG2 LYS 437 2HG LYS 437 -9.214 -3.649 -15.063 995 HG3 LYS 437 1HG LYS 437 -7.775 -4.278 -15.861 996 HD2 LYS 437 2HD LYS 437 -9.050 -4.561 -17.965 997 HD3 LYS 437 1HD LYS 437 -10.510 -3.963 -17.164 998 HE2 LYS 437 2HE LYS 437 -9.413 -2.204 -18.524 999 HE3 LYS 437 1HE LYS 437 -9.452 -1.775 -16.816 1000 HZ1 LYS 437 1HZ LYS 437 -7.111 -2.887 -18.271 1001 HZ2 LYS 437 2HZ LYS 437 -7.142 -2.495 -16.629 1002 HZ3 LYS 437 3HZ LYS 437 -7.304 -1.280 -17.791 1003 H ALA 438 H ALA 438 -10.716 -6.099 -12.663 1004 HA ALA 438 HA ALA 438 -10.329 -3.561 -11.469 1005 HB1 ALA 438 1HB ALA 438 -12.022 -5.871 -10.462 1006 HB2 ALA 438 2HB ALA 438 -12.541 -4.621 -11.591 1007 HB3 ALA 438 3HB ALA 438 -12.146 -4.187 -9.928 1008 H GLN 439 H GLN 439 -9.773 -6.855 -10.190 1009 HA GLN 439 HA GLN 439 -8.655 -6.165 -7.708 1010 HB2 GLN 439 2HB GLN 439 -8.177 -8.640 -9.421 1011 HB3 GLN 439 1HB GLN 439 -7.656 -8.481 -7.749 1012 HG2 GLN 439 2HG GLN 439 -10.519 -8.506 -8.742 1013 HG3 GLN 439 1HG GLN 439 -9.693 -9.801 -7.881 1014 HE21 GLN 439 1HE2 GLN 439 -11.295 -6.738 -7.594 1015 HE22 GLN 439 2HE2 GLN 439 -11.340 -6.690 -5.866 1016 H PHE 440 H PHE 440 -7.079 -6.761 -10.876 1017 HA PHE 440 HA PHE 440 -4.403 -6.529 -10.064 1018 HB2 PHE 440 2HB PHE 440 -4.962 -7.393 -12.289 1019 HB3 PHE 440 1HB PHE 440 -5.642 -5.843 -12.770 1020 HD1 PHE 440 HD1 PHE 440 -2.455 -7.553 -11.835 1021 HD2 PHE 440 HD2 PHE 440 -4.212 -4.128 -13.694 1022 HE1 PHE 440 HE1 PHE 440 -0.248 -6.846 -12.644 1023 HE2 PHE 440 HE2 PHE 440 -1.999 -3.432 -14.505 1024 HZ PHE 440 HZ PHE 440 -0.013 -4.790 -13.974 1025 H THR 441 H THR 441 -6.526 -4.022 -11.504 1026 HA THR 441 HA THR 441 -4.729 -1.889 -11.459 1027 HB THR 441 HB THR 441 -7.776 -1.718 -11.317 1028 HG1 THR 441 HG1 THR 441 -7.737 -2.451 -13.277 1029 HG21 THR 441 1HG2 THR 441 -5.770 0.280 -12.441 1030 HG22 THR 441 2HG2 THR 441 -6.681 0.478 -10.941 1031 HG23 THR 441 3HG2 THR 441 -7.526 0.437 -12.490 1032 H GLN 442 H GLN 442 -6.981 -3.023 -8.982 1033 HA GLN 442 HA GLN 442 -6.729 -0.808 -7.185 1034 HB2 GLN 442 2HB GLN 442 -7.790 -3.632 -6.858 1035 HB3 GLN 442 1HB GLN 442 -7.778 -2.479 -5.524 1036 HG2 GLN 442 2HG GLN 442 -9.280 -0.994 -6.686 1037 HG3 GLN 442 1HG GLN 442 -9.143 -1.925 -8.174 1038 HE21 GLN 442 1HE2 GLN 442 -9.394 -4.533 -6.948 1039 HE22 GLN 442 2HE2 GLN 442 -11.031 -4.678 -6.421 1040 H LEU 443 H LEU 443 -5.306 -4.111 -7.132 1041 HA LEU 443 HA LEU 443 -3.557 -3.606 -4.926 1042 HB2 LEU 443 2HB LEU 443 -3.666 -5.789 -7.024 1043 HB3 LEU 443 1HB LEU 443 -2.300 -5.693 -5.934 1044 HG LEU 443 HG LEU 443 -3.842 -6.036 -3.987 1045 HD11 LEU 443 1HD1 LEU 443 -6.123 -6.796 -4.290 1046 HD12 LEU 443 2HD1 LEU 443 -6.005 -6.552 -6.033 1047 HD13 LEU 443 3HD1 LEU 443 -5.931 -5.169 -4.942 1048 HD21 LEU 443 1HD2 LEU 443 -4.238 -8.439 -4.380 1049 HD22 LEU 443 2HD2 LEU 443 -2.652 -7.940 -4.966 1050 HD23 LEU 443 3HD2 LEU 443 -3.969 -8.204 -6.112 1051 H ASP 444 H ASP 444 -3.377 -2.790 -8.284 1052 HA ASP 444 HA ASP 444 -0.485 -2.568 -8.462 1053 HB2 ASP 444 2HB ASP 444 -1.797 -3.226 -10.474 1054 HB3 ASP 444 1HB ASP 444 -2.631 -1.677 -10.451 1055 H THR 445 H THR 445 -3.279 -0.337 -8.303 1056 HA THR 445 HA THR 445 -1.681 2.029 -8.261 1057 HB THR 445 HB THR 445 -4.092 2.090 -8.946 1058 HG1 THR 445 HG1 THR 445 -2.735 3.851 -7.541 1059 HG21 THR 445 1HG2 THR 445 -5.877 2.172 -7.278 1060 HG22 THR 445 2HG2 THR 445 -4.719 1.865 -5.981 1061 HG23 THR 445 3HG2 THR 445 -5.048 0.616 -7.182 1062 H MET 446 H MET 446 -2.960 -0.184 -5.819 1063 HA MET 446 HA MET 446 -2.134 1.165 -3.504 1064 HB2 MET 446 2HB MET 446 -3.592 -0.869 -3.465 1065 HB3 MET 446 1HB MET 446 -2.218 -1.855 -3.953 1066 HG2 MET 446 2HG MET 446 -1.041 -1.216 -1.868 1067 HG3 MET 446 1HG MET 446 -2.445 -0.265 -1.381 1068 HE1 MET 446 1HE MET 446 -2.570 -3.261 1.113 1069 HE2 MET 446 2HE MET 446 -2.577 -1.508 0.944 1070 HE3 MET 446 3HE MET 446 -1.135 -2.431 0.512 1071 H MET 447 H MET 447 -0.450 -1.149 -5.640 1072 HA MET 447 HA MET 447 1.956 -1.361 -4.194 1073 HB2 MET 447 2HB MET 447 1.544 -3.059 -5.790 1074 HB3 MET 447 1HB MET 447 1.292 -1.914 -7.099 1075 HG2 MET 447 2HG MET 447 3.592 -1.558 -7.404 1076 HG3 MET 447 1HG MET 447 4.001 -2.080 -5.775 1077 HE1 MET 447 1HE MET 447 3.771 -5.898 -5.959 1078 HE2 MET 447 2HE MET 447 2.570 -4.760 -5.358 1079 HE3 MET 447 3HE MET 447 4.285 -4.510 -5.011 1080 H SER 448 H SER 448 1.155 0.716 -6.976 1081 HA SER 448 HA SER 448 3.724 1.850 -7.298 1082 HB2 SER 448 2HB SER 448 2.446 3.589 -8.663 1083 HB3 SER 448 1HB SER 448 2.189 1.912 -9.146 1084 HG SER 448 HG SER 448 0.175 2.025 -8.544 1085 H LYS 449 H LYS 449 0.849 2.864 -5.463 1086 HA LYS 449 HA LYS 449 1.981 5.292 -4.484 1087 HB2 LYS 449 2HB LYS 449 -0.367 3.645 -3.497 1088 HB3 LYS 449 1HB LYS 449 0.133 5.153 -2.733 1089 HG2 LYS 449 2HG LYS 449 -0.179 6.307 -4.962 1090 HG3 LYS 449 1HG LYS 449 -0.857 4.798 -5.581 1091 HD2 LYS 449 2HD LYS 449 -2.677 6.298 -4.936 1092 HD3 LYS 449 1HD LYS 449 -2.642 4.914 -3.841 1093 HE2 LYS 449 2HE LYS 449 -1.466 6.287 -2.148 1094 HE3 LYS 449 1HE LYS 449 -1.503 7.669 -3.246 1095 HZ1 LYS 449 1HZ LYS 449 -3.889 7.669 -3.156 1096 HZ2 LYS 449 2HZ LYS 449 -3.270 7.734 -1.586 1097 HZ3 LYS 449 3HZ LYS 449 -3.901 6.287 -2.179 1098 H LEU 450 H LEU 450 1.844 1.955 -3.139 1099 HA LEU 450 HA LEU 450 3.006 2.756 -0.643 1100 HB2 LEU 450 2HB LEU 450 2.946 0.496 0.074 1101 HB3 LEU 450 1HB LEU 450 1.479 0.807 -0.810 1102 HG LEU 450 HG LEU 450 2.630 -0.454 -2.780 1103 HD11 LEU 450 1HD1 LEU 450 4.244 -2.215 -2.159 1104 HD12 LEU 450 2HD1 LEU 450 4.389 -1.513 -0.545 1105 HD13 LEU 450 3HD1 LEU 450 4.921 -0.599 -1.956 1106 HD21 LEU 450 1HD2 LEU 450 0.707 -1.318 -1.554 1107 HD22 LEU 450 2HD2 LEU 450 1.767 -1.980 -0.306 1108 HD23 LEU 450 3HD2 LEU 450 1.827 -2.619 -1.951 1109 H ASN 451 H ASN 451 4.273 1.983 -3.703 1110 HA ASN 451 HA ASN 451 6.967 1.339 -2.938 1111 HB2 ASN 451 2HB ASN 451 5.971 0.689 -5.150 1112 HB3 ASN 451 1HB ASN 451 5.874 2.383 -5.607 1113 HD21 ASN 451 1HD2 ASN 451 7.838 3.495 -6.085 1114 HD22 ASN 451 2HD2 ASN 451 9.276 2.626 -6.494 1115 H ASN 452 H ASN 452 5.303 4.232 -4.210 1116 HA ASN 452 HA ASN 452 7.411 6.083 -4.064 1117 HB2 ASN 452 2HB ASN 452 5.303 6.536 -5.294 1118 HB3 ASN 452 1HB ASN 452 4.412 6.582 -3.775 1119 HD21 ASN 452 1HD2 ASN 452 3.735 8.700 -3.921 1120 HD22 ASN 452 2HD2 ASN 452 4.796 10.057 -3.905 1121 H THR 453 H THR 453 4.936 5.162 -1.687 1122 HA THR 453 HA THR 453 5.557 7.126 0.234 1123 HB THR 453 HB THR 453 4.243 5.705 1.851 1124 HG1 THR 453 HG1 THR 453 4.053 3.689 1.382 1125 HG21 THR 453 1HG2 THR 453 2.053 5.889 0.712 1126 HG22 THR 453 2HG2 THR 453 2.866 6.124 -0.835 1127 HG23 THR 453 3HG2 THR 453 3.028 7.339 0.432 1128 H SER 454 H SER 454 6.305 3.566 0.250 1129 HA SER 454 HA SER 454 7.926 3.496 2.483 1130 HB2 SER 454 2HB SER 454 8.927 1.415 1.556 1131 HB3 SER 454 1HB SER 454 7.175 1.447 1.364 1132 HG SER 454 HG SER 454 7.405 1.414 -0.705 1133 H SER 455 H SER 455 8.826 4.502 -0.788 1134 HA SER 455 HA SER 455 11.606 4.756 -0.472 1135 HB2 SER 455 2HB SER 455 10.473 4.986 -2.652 1136 HB3 SER 455 1HB SER 455 9.722 6.490 -2.126 1137 HG SER 455 HG SER 455 12.506 6.279 -1.960 1138 H TYR 456 H TYR 456 9.179 7.460 -0.188 1139 HA TYR 456 HA TYR 456 11.148 9.131 1.082 1140 HB2 TYR 456 2HB TYR 456 9.394 10.851 1.324 1141 HB3 TYR 456 1HB TYR 456 9.572 10.253 -0.311 1142 HD1 TYR 456 HD1 TYR 456 7.398 9.490 2.709 1143 HD2 TYR 456 HD2 TYR 456 7.578 10.089 -1.522 1144 HE1 TYR 456 HE1 TYR 456 4.953 9.347 2.580 1145 HE2 TYR 456 HE2 TYR 456 5.129 9.930 -1.644 1146 HH TYR 456 HH TYR 456 3.268 9.018 -0.360 1147 H LEU 457 H LEU 457 9.043 6.781 2.365 1148 HA LEU 457 HA LEU 457 8.821 7.829 5.040 1149 HB2 LEU 457 2HB LEU 457 8.265 5.057 3.915 1150 HB3 LEU 457 1HB LEU 457 8.049 5.458 5.609 1151 HG LEU 457 HG LEU 457 6.480 6.615 3.273 1152 HD11 LEU 457 1HD1 LEU 457 5.606 4.757 5.512 1153 HD12 LEU 457 2HD1 LEU 457 5.845 4.314 3.820 1154 HD13 LEU 457 3HD1 LEU 457 4.559 5.436 4.258 1155 HD21 LEU 457 1HD2 LEU 457 5.126 7.783 4.956 1156 HD22 LEU 457 2HD2 LEU 457 6.795 8.339 4.952 1157 HD23 LEU 457 3HD2 LEU 457 6.234 7.251 6.223 1158 H THR 458 H THR 458 10.938 5.445 3.377 1159 HA THR 458 HA THR 458 12.333 4.710 5.779 1160 HB THR 458 HB THR 458 12.276 3.181 3.782 1161 HG1 THR 458 HG1 THR 458 13.982 3.251 5.530 1162 HG21 THR 458 1HG2 THR 458 13.914 3.487 1.958 1163 HG22 THR 458 2HG2 THR 458 14.339 5.076 2.597 1164 HG23 THR 458 3HG2 THR 458 12.721 4.788 1.961 1165 H GLN 459 H GLN 459 12.825 7.123 3.227 1166 HA GLN 459 HA GLN 459 15.293 8.203 4.151 1167 HB2 GLN 459 2HB GLN 459 12.980 9.643 2.782 1168 HB3 GLN 459 1HB GLN 459 14.628 10.250 2.911 1169 HG2 GLN 459 2HG GLN 459 15.424 8.402 1.496 1170 HG3 GLN 459 1HG GLN 459 13.784 7.771 1.388 1171 HE21 GLN 459 1HE2 GLN 459 12.588 10.510 1.122 1172 HE22 GLN 459 2HE2 GLN 459 12.958 10.994 -0.492 1173 H GLN 460 H GLN 460 11.901 9.007 4.883 1174 HA GLN 460 HA GLN 460 12.206 11.128 6.673 1175 HB2 GLN 460 2HB GLN 460 10.031 10.537 5.692 1176 HB3 GLN 460 1HB GLN 460 10.038 8.988 6.521 1177 HG2 GLN 460 2HG GLN 460 8.505 10.445 7.667 1178 HG3 GLN 460 1HG GLN 460 9.904 10.207 8.710 1179 HE21 GLN 460 1HE2 GLN 460 11.292 11.979 9.104 1180 HE22 GLN 460 2HE2 GLN 460 10.832 13.605 8.733 1181 H PHE 461 H PHE 461 12.114 7.633 7.249 1182 HA PHE 461 HA PHE 461 12.104 7.647 10.067 1183 HB2 PHE 461 2HB PHE 461 11.470 5.641 8.827 1184 HB3 PHE 461 1HB PHE 461 13.063 5.527 8.092 1185 HD1 PHE 461 HD1 PHE 461 11.579 5.715 11.563 1186 HD2 PHE 461 HD2 PHE 461 14.484 3.889 9.008 1187 HE1 PHE 461 HE1 PHE 461 12.299 4.265 13.408 1188 HE2 PHE 461 HE2 PHE 461 15.201 2.447 10.865 1189 HZ PHE 461 HZ PHE 461 14.110 2.634 13.065 1190 H THR 462 H THR 462 14.781 7.110 7.749 1191 HA THR 462 HA THR 462 16.815 6.752 9.634 1192 HB THR 462 HB THR 462 17.116 7.770 6.773 1193 HG1 THR 462 HG1 THR 462 16.289 5.852 6.401 1194 HG21 THR 462 1HG2 THR 462 19.361 6.714 6.858 1195 HG22 THR 462 2HG2 THR 462 19.106 6.292 8.552 1196 HG23 THR 462 3HG2 THR 462 19.227 7.987 8.078 1197 H ALA 463 H ALA 463 15.615 9.718 8.096 1198 HA ALA 463 HA ALA 463 17.670 11.461 9.112 1199 HB1 ALA 463 1HB ALA 463 16.244 13.278 8.280 1200 HB2 ALA 463 2HB ALA 463 14.915 12.143 8.028 1201 HB3 ALA 463 3HB ALA 463 16.393 11.999 7.076 1202 H MET 464 H MET 464 14.260 10.850 10.032 1203 HA MET 464 HA MET 464 14.071 12.705 12.158 1204 HB2 MET 464 2HB MET 464 12.094 11.710 11.052 1205 HB3 MET 464 1HB MET 464 12.513 10.125 11.683 1206 HG2 MET 464 2HG MET 464 12.156 11.015 13.996 1207 HG3 MET 464 1HG MET 464 11.603 12.531 13.282 1208 HE1 MET 464 1HE MET 464 8.274 11.449 11.516 1209 HE2 MET 464 2HE MET 464 9.861 11.645 10.770 1210 HE3 MET 464 3HE MET 464 9.299 12.806 11.976 1211 H ASN 465 H ASN 465 15.134 9.375 12.022 1212 HA ASN 465 HA ASN 465 15.366 9.011 14.889 1213 HB2 ASN 465 2HB ASN 465 14.745 7.144 13.328 1214 HB3 ASN 465 1HB ASN 465 16.336 7.232 12.594 1215 HD21 ASN 465 1HD2 ASN 465 15.130 4.975 13.820 1216 HD22 ASN 465 2HD2 ASN 465 16.102 4.513 15.173 1217 H LYS 466 H LYS 466 17.798 8.752 12.225 1218 HA LYS 466 HA LYS 466 19.740 10.259 13.880 1219 HB2 LYS 466 2HB LYS 466 21.587 8.840 12.931 1220 HB3 LYS 466 1HB LYS 466 20.507 7.986 14.010 1221 HG2 LYS 466 2HG LYS 466 20.052 7.785 11.033 1222 HG3 LYS 466 1HG LYS 466 21.357 6.855 11.763 1223 HD2 LYS 466 2HD LYS 466 18.434 6.695 12.604 1224 HD3 LYS 466 1HD LYS 466 19.239 5.553 11.527 1225 HE2 LYS 466 2HE LYS 466 20.821 4.960 13.354 1226 HE3 LYS 466 1HE LYS 466 19.980 6.082 14.430 1227 HZ1 LYS 466 1HZ LYS 466 17.966 4.750 14.140 1228 HZ2 LYS 466 2HZ LYS 466 19.221 3.843 14.798 1229 HZ3 LYS 466 3HZ LYS 466 18.808 3.655 13.170 1230 H SER 467 H SER 467 18.798 12.122 12.558 1231 HA SER 467 HA SER 467 19.389 12.635 9.924 1232 HB2 SER 467 2HB SER 467 19.716 15.074 10.696 1233 HB3 SER 467 1HB SER 467 18.204 14.299 11.162 1234 HG SER 467 HG SER 467 20.421 14.196 12.890 Start of MODEL 13 1 H1 MET 1 1H MET 1 -0.122 22.411 21.123 2 H2 MET 1 2H MET 1 1.336 22.131 21.935 3 H3 MET 1 3H MET 1 0.102 20.978 21.988 4 HA MET 1 HA MET 1 1.516 21.824 19.548 5 HB2 MET 1 2HB MET 1 2.677 19.614 19.656 6 HB3 MET 1 1HB MET 1 3.091 20.657 21.002 7 HG2 MET 1 2HG MET 1 1.617 19.371 22.482 8 HG3 MET 1 1HG MET 1 1.124 18.357 21.127 9 HE1 MET 1 1HE MET 1 1.718 16.096 22.332 10 HE2 MET 1 2HE MET 1 2.075 17.045 23.777 11 HE3 MET 1 3HE MET 1 3.226 15.837 23.206 12 H THR 2 H THR 2 -0.542 22.070 18.524 13 HA THR 2 HA THR 2 -2.507 19.962 18.434 14 HB THR 2 HB THR 2 -3.619 21.397 16.682 15 HG1 THR 2 HG1 THR 2 -2.644 23.173 15.928 16 HG21 THR 2 1HG2 THR 2 -4.152 23.302 18.143 17 HG22 THR 2 2HG2 THR 2 -2.753 22.948 19.157 18 HG23 THR 2 3HG2 THR 2 -4.101 21.810 19.086 19 H SER 3 H SER 3 -0.148 21.255 16.086 20 HA SER 3 HA SER 3 -0.689 19.466 13.966 21 HB2 SER 3 2HB SER 3 1.931 20.910 14.576 22 HB3 SER 3 1HB SER 3 1.434 20.270 13.010 23 HG SER 3 HG SER 3 -0.510 21.843 13.752 24 H THR 4 H THR 4 1.326 19.225 16.828 25 HA THR 4 HA THR 4 2.757 16.864 15.974 26 HB THR 4 HB THR 4 2.694 18.178 18.720 27 HG1 THR 4 HG1 THR 4 4.977 18.639 17.543 28 HG21 THR 4 1HG2 THR 4 3.523 15.865 18.874 29 HG22 THR 4 2HG2 THR 4 4.863 16.996 19.072 30 HG23 THR 4 3HG2 THR 4 4.638 16.154 17.538 31 H VAL 5 H VAL 5 -0.123 17.509 18.028 32 HA VAL 5 HA VAL 5 -0.193 14.874 19.150 33 HB VAL 5 HB VAL 5 -1.415 16.769 20.243 34 HG11 VAL 5 1HG1 VAL 5 -3.660 17.444 19.480 35 HG12 VAL 5 2HG1 VAL 5 -3.454 16.478 18.016 36 HG13 VAL 5 3HG1 VAL 5 -2.413 17.871 18.306 37 HG21 VAL 5 1HG2 VAL 5 -1.938 14.438 20.847 38 HG22 VAL 5 2HG2 VAL 5 -3.182 14.374 19.596 39 HG23 VAL 5 3HG2 VAL 5 -3.370 15.460 20.976 40 H GLU 6 H GLU 6 -1.777 16.381 16.311 41 HA GLU 6 HA GLU 6 -3.201 14.031 15.480 42 HB2 GLU 6 2HB GLU 6 -3.486 15.227 13.311 43 HB3 GLU 6 1HB GLU 6 -3.907 16.232 14.695 44 HG2 GLU 6 2HG GLU 6 -1.686 17.329 14.546 45 HG3 GLU 6 1HG GLU 6 -1.319 16.352 13.132 46 H PHE 7 H PHE 7 0.023 15.341 14.737 47 HA PHE 7 HA PHE 7 1.011 13.520 12.898 48 HB2 PHE 7 2HB PHE 7 2.283 15.445 13.545 49 HB3 PHE 7 1HB PHE 7 2.281 14.986 15.230 50 HD1 PHE 7 HD1 PHE 7 3.895 14.448 11.958 51 HD2 PHE 7 HD2 PHE 7 3.925 13.401 16.103 52 HE1 PHE 7 HE1 PHE 7 6.176 13.548 11.729 53 HE2 PHE 7 HE2 PHE 7 6.195 12.499 15.851 54 HZ PHE 7 HZ PHE 7 7.324 12.585 13.668 55 H ILE 8 H ILE 8 1.098 13.179 16.485 56 HA ILE 8 HA ILE 8 2.239 10.648 16.769 57 HB ILE 8 HB ILE 8 0.059 11.935 18.498 58 HG12 ILE 8 2HG1 ILE 8 3.067 11.883 18.996 59 HG13 ILE 8 1HG1 ILE 8 2.210 13.242 18.285 60 HG21 ILE 8 1HG2 ILE 8 0.118 9.530 18.955 61 HG22 ILE 8 2HG2 ILE 8 0.786 10.413 20.326 62 HG23 ILE 8 3HG2 ILE 8 1.864 9.586 19.201 63 HD11 ILE 8 1HD1 ILE 8 2.623 13.655 20.606 64 HD12 ILE 8 2HD1 ILE 8 1.835 12.148 21.066 65 HD13 ILE 8 3HD1 ILE 8 0.889 13.460 20.354 66 H ASN 9 H ASN 9 -1.193 11.521 16.726 67 HA ASN 9 HA ASN 9 -2.294 8.994 17.106 68 HB2 ASN 9 2HB ASN 9 -3.572 11.411 15.751 69 HB3 ASN 9 1HB ASN 9 -4.454 10.015 16.369 70 HD21 ASN 9 1HD2 ASN 9 -4.682 12.819 17.109 71 HD22 ASN 9 2HD2 ASN 9 -4.390 12.897 18.811 72 H ARG 10 H ARG 10 -1.718 10.794 14.079 73 HA ARG 10 HA ARG 10 -3.025 8.845 12.435 74 HB2 ARG 10 2HB ARG 10 -1.257 11.195 11.679 75 HB3 ARG 10 1HB ARG 10 -2.083 10.165 10.509 76 HG2 ARG 10 2HG ARG 10 -4.269 10.809 11.483 77 HG3 ARG 10 1HG ARG 10 -3.437 11.858 12.637 78 HD2 ARG 10 2HD ARG 10 -3.462 12.148 9.621 79 HD3 ARG 10 1HD ARG 10 -4.283 13.185 10.790 80 HE ARG 10 HE ARG 10 -1.345 12.948 10.844 81 HH11 ARG 10 1HH1 ARG 10 -4.181 14.953 10.353 82 HH12 ARG 10 2HH1 ARG 10 -3.271 16.432 10.352 83 HH21 ARG 10 1HH2 ARG 10 -0.174 14.889 10.870 84 HH22 ARG 10 2HH2 ARG 10 -1.009 16.391 10.647 85 H TRP 11 H TRP 11 0.418 9.432 13.284 86 HA TRP 11 HA TRP 11 1.473 7.453 11.516 87 HB2 TRP 11 2HB TRP 11 2.574 8.695 14.055 88 HB3 TRP 11 1HB TRP 11 3.420 7.358 13.280 89 HD1 TRP 11 HD1 TRP 11 3.401 11.003 13.274 90 HE1 TRP 11 HE1 TRP 11 4.587 11.939 11.211 91 HE3 TRP 11 HE3 TRP 11 3.591 6.773 10.404 92 HZ2 TRP 11 HZ2 TRP 11 5.515 11.061 8.738 93 HZ3 TRP 11 HZ3 TRP 11 4.659 6.916 8.186 94 HH2 TRP 11 HH2 TRP 11 5.599 9.027 7.380 95 H GLN 12 H GLN 12 0.228 7.300 14.830 96 HA GLN 12 HA GLN 12 0.622 4.581 15.375 97 HB2 GLN 12 2HB GLN 12 -0.195 6.161 17.090 98 HB3 GLN 12 1HB GLN 12 -1.693 6.392 16.198 99 HG2 GLN 12 2HG GLN 12 -2.230 3.974 16.568 100 HG3 GLN 12 1HG GLN 12 -0.769 3.844 17.552 101 HE21 GLN 12 1HE2 GLN 12 -1.931 3.265 19.386 102 HE22 GLN 12 2HE2 GLN 12 -2.916 4.378 20.266 103 H ARG 13 H ARG 13 -2.023 6.261 13.637 104 HA ARG 13 HA ARG 13 -3.611 3.977 13.124 105 HB2 ARG 13 2HB ARG 13 -3.510 6.467 11.365 106 HB3 ARG 13 1HB ARG 13 -4.812 5.290 11.457 107 HG2 ARG 13 2HG ARG 13 -4.006 7.313 13.546 108 HG3 ARG 13 1HG ARG 13 -5.497 7.272 12.619 109 HD2 ARG 13 2HD ARG 13 -6.293 5.353 13.832 110 HD3 ARG 13 1HD ARG 13 -4.722 5.110 14.610 111 HE ARG 13 HE ARG 13 -6.002 7.670 15.126 112 HH11 ARG 13 1HH1 ARG 13 -5.527 4.375 16.321 113 HH12 ARG 13 2HH1 ARG 13 -5.938 4.803 17.950 114 HH21 ARG 13 1HH2 ARG 13 -6.510 8.189 17.268 115 HH22 ARG 13 2HH2 ARG 13 -6.493 6.947 18.483 116 H ILE 14 H ILE 14 -0.978 5.515 11.299 117 HA ILE 14 HA ILE 14 -1.217 4.105 8.869 118 HB ILE 14 HB ILE 14 1.185 5.500 10.157 119 HG12 ILE 14 2HG1 ILE 14 -0.574 6.366 7.814 120 HG13 ILE 14 1HG1 ILE 14 -0.785 6.917 9.466 121 HG21 ILE 14 1HG2 ILE 14 2.332 5.442 7.970 122 HG22 ILE 14 2HG2 ILE 14 1.040 4.439 7.309 123 HG23 ILE 14 3HG2 ILE 14 2.069 3.812 8.595 124 HD11 ILE 14 1HD1 ILE 14 0.321 8.588 8.138 125 HD12 ILE 14 2HD1 ILE 14 1.603 7.456 7.708 126 HD13 ILE 14 3HD1 ILE 14 1.417 7.990 9.382 127 H ALA 15 H ALA 15 0.706 3.404 11.803 128 HA ALA 15 HA ALA 15 1.986 1.059 10.802 129 HB1 ALA 15 1HB ALA 15 1.498 1.875 13.681 130 HB2 ALA 15 2HB ALA 15 2.886 2.333 12.695 131 HB3 ALA 15 3HB ALA 15 2.639 0.641 13.127 132 H LEU 16 H LEU 16 -0.963 1.571 12.747 133 HA LEU 16 HA LEU 16 -1.564 -1.176 13.188 134 HB2 LEU 16 2HB LEU 16 -3.362 1.279 13.274 135 HB3 LEU 16 1HB LEU 16 -3.880 -0.322 13.777 136 HG LEU 16 HG LEU 16 -1.669 1.316 15.091 137 HD11 LEU 16 1HD1 LEU 16 -4.451 0.655 16.112 138 HD12 LEU 16 2HD1 LEU 16 -3.894 2.232 15.550 139 HD13 LEU 16 3HD1 LEU 16 -3.196 1.522 17.003 140 HD21 LEU 16 1HD2 LEU 16 -1.145 -1.062 15.243 141 HD22 LEU 16 2HD2 LEU 16 -2.756 -1.412 15.873 142 HD23 LEU 16 3HD2 LEU 16 -1.626 -0.445 16.823 143 H LEU 17 H LEU 17 -2.345 1.072 10.596 144 HA LEU 17 HA LEU 17 -4.364 -0.533 9.338 145 HB2 LEU 17 2HB LEU 17 -2.810 1.909 8.389 146 HB3 LEU 17 1HB LEU 17 -3.976 1.086 7.363 147 HG LEU 17 HG LEU 17 -4.670 2.307 10.061 148 HD11 LEU 17 1HD1 LEU 17 -5.167 3.475 7.310 149 HD12 LEU 17 2HD1 LEU 17 -4.008 4.070 8.499 150 HD13 LEU 17 3HD1 LEU 17 -5.734 4.140 8.846 151 HD21 LEU 17 1HD2 LEU 17 -6.452 1.217 7.861 152 HD22 LEU 17 2HD2 LEU 17 -6.999 2.005 9.344 153 HD23 LEU 17 3HD2 LEU 17 -6.144 0.470 9.432 154 H SER 18 H SER 18 -0.919 0.172 8.605 155 HA SER 18 HA SER 18 -0.612 -1.450 6.350 156 HB2 SER 18 2HB SER 18 1.837 -1.535 6.985 157 HB3 SER 18 1HB SER 18 1.165 0.091 6.970 158 HG SER 18 HG SER 18 1.682 0.264 8.974 159 H GLN 19 H GLN 19 -0.364 -2.195 9.791 160 HA GLN 19 HA GLN 19 0.447 -4.894 9.621 161 HB2 GLN 19 2HB GLN 19 0.569 -3.426 11.656 162 HB3 GLN 19 1HB GLN 19 -1.177 -3.558 11.828 163 HG2 GLN 19 2HG GLN 19 -0.947 -5.999 12.167 164 HG3 GLN 19 1HG GLN 19 0.802 -5.848 11.992 165 HE21 GLN 19 1HE2 GLN 19 -1.238 -3.518 13.733 166 HE22 GLN 19 2HE2 GLN 19 -0.602 -3.873 15.298 167 H SER 20 H SER 20 -2.782 -3.419 9.902 168 HA SER 20 HA SER 20 -4.340 -5.738 10.105 169 HB2 SER 20 2HB SER 20 -5.085 -3.034 8.910 170 HB3 SER 20 1HB SER 20 -6.240 -4.299 9.332 171 HG SER 20 HG SER 20 -4.445 -3.462 11.307 172 H LEU 21 H LEU 21 -3.630 -3.772 7.198 173 HA LEU 21 HA LEU 21 -4.981 -5.604 5.458 174 HB2 LEU 21 2HB LEU 21 -4.297 -4.061 3.641 175 HB3 LEU 21 1HB LEU 21 -5.156 -3.293 4.953 176 HG LEU 21 HG LEU 21 -2.818 -2.554 5.812 177 HD11 LEU 21 1HD1 LEU 21 -1.093 -2.235 4.112 178 HD12 LEU 21 2HD1 LEU 21 -2.044 -3.192 2.972 179 HD13 LEU 21 3HD1 LEU 21 -1.407 -3.938 4.438 180 HD21 LEU 21 1HD2 LEU 21 -3.919 -1.326 3.276 181 HD22 LEU 21 2HD2 LEU 21 -2.823 -0.546 4.424 182 HD23 LEU 21 3HD2 LEU 21 -4.450 -0.987 4.927 183 H LEU 22 H LEU 22 -1.703 -5.329 6.576 184 HA LEU 22 HA LEU 22 -0.380 -6.904 4.637 185 HB2 LEU 22 2HB LEU 22 0.834 -5.732 6.463 186 HB3 LEU 22 1HB LEU 22 0.094 -6.795 7.648 187 HG LEU 22 HG LEU 22 1.292 -8.745 6.532 188 HD11 LEU 22 1HD1 LEU 22 1.673 -7.725 4.331 189 HD12 LEU 22 2HD1 LEU 22 3.172 -8.297 5.056 190 HD13 LEU 22 3HD1 LEU 22 2.802 -6.571 5.055 191 HD21 LEU 22 1HD2 LEU 22 3.054 -6.560 7.673 192 HD22 LEU 22 2HD2 LEU 22 3.471 -8.272 7.560 193 HD23 LEU 22 3HD2 LEU 22 2.145 -7.757 8.598 194 H GLU 23 H GLU 23 -2.070 -7.755 7.647 195 HA GLU 23 HA GLU 23 -1.978 -10.561 7.472 196 HB2 GLU 23 2HB GLU 23 -4.098 -8.786 8.759 197 HB3 GLU 23 1HB GLU 23 -3.920 -10.514 9.048 198 HG2 GLU 23 2HG GLU 23 -1.738 -10.164 10.091 199 HG3 GLU 23 1HG GLU 23 -1.798 -8.445 9.700 200 H LEU 24 H LEU 24 -4.315 -8.211 6.211 201 HA LEU 24 HA LEU 24 -6.248 -10.069 5.238 202 HB2 LEU 24 2HB LEU 24 -5.775 -7.162 4.447 203 HB3 LEU 24 1HB LEU 24 -7.226 -8.088 4.086 204 HG LEU 24 HG LEU 24 -6.288 -7.455 6.913 205 HD11 LEU 24 1HD1 LEU 24 -8.441 -6.027 5.336 206 HD12 LEU 24 2HD1 LEU 24 -6.868 -5.370 5.774 207 HD13 LEU 24 3HD1 LEU 24 -8.038 -5.755 7.033 208 HD21 LEU 24 1HD2 LEU 24 -8.547 -8.144 7.595 209 HD22 LEU 24 2HD2 LEU 24 -7.663 -9.452 6.816 210 HD23 LEU 24 3HD2 LEU 24 -8.915 -8.586 5.926 211 H ALA 25 H ALA 25 -3.368 -8.622 3.831 212 HA ALA 25 HA ALA 25 -3.843 -9.325 1.091 213 HB1 ALA 25 1HB ALA 25 -2.324 -7.478 1.721 214 HB2 ALA 25 2HB ALA 25 -1.499 -8.676 0.725 215 HB3 ALA 25 3HB ALA 25 -1.219 -8.632 2.469 216 H GLN 26 H GLN 26 -1.814 -10.732 3.698 217 HA GLN 26 HA GLN 26 -0.861 -12.921 2.108 218 HB2 GLN 26 2HB GLN 26 0.112 -13.801 4.192 219 HB3 GLN 26 1HB GLN 26 0.444 -12.085 4.013 220 HG2 GLN 26 2HG GLN 26 -1.385 -11.596 5.629 221 HG3 GLN 26 1HG GLN 26 -1.618 -13.325 5.851 222 HE21 GLN 26 1HE2 GLN 26 1.544 -11.736 5.534 223 HE22 GLN 26 2HE2 GLN 26 2.050 -12.056 7.152 224 H ARG 27 H ARG 27 -3.648 -12.413 4.114 225 HA ARG 27 HA ARG 27 -4.498 -15.171 4.242 226 HB2 ARG 27 2HB ARG 27 -5.508 -12.533 5.212 227 HB3 ARG 27 1HB ARG 27 -6.762 -13.704 4.858 228 HG2 ARG 27 2HG ARG 27 -4.451 -14.208 6.766 229 HG3 ARG 27 1HG ARG 27 -6.073 -13.688 7.237 230 HD2 ARG 27 2HD ARG 27 -5.237 -16.329 6.017 231 HD3 ARG 27 1HD ARG 27 -6.076 -16.042 7.549 232 HE ARG 27 HE ARG 27 -7.811 -15.043 5.767 233 HH11 ARG 27 1HH1 ARG 27 -6.244 -18.189 5.896 234 HH12 ARG 27 2HH1 ARG 27 -7.533 -18.974 5.042 235 HH21 ARG 27 1HH2 ARG 27 -9.386 -16.039 4.510 236 HH22 ARG 27 2HH2 ARG 27 -9.313 -17.759 4.256 237 H GLY 28 H GLY 28 -4.838 -12.600 1.928 238 HA2 GLY 28 2HA GLY 28 -5.518 -12.871 -0.296 239 HA3 GLY 28 1HA GLY 28 -6.313 -14.380 0.126 240 H GLU 29 H GLU 29 -7.248 -12.051 2.360 241 HA GLU 29 HA GLU 29 -9.822 -11.559 1.115 242 HB2 GLU 29 2HB GLU 29 -8.606 -10.815 3.794 243 HB3 GLU 29 1HB GLU 29 -10.057 -9.988 3.241 244 HG2 GLU 29 2HG GLU 29 -10.763 -11.744 4.682 245 HG3 GLU 29 1HG GLU 29 -11.184 -12.218 3.038 246 H TRP 30 H TRP 30 -9.084 -10.535 -0.766 247 HA TRP 30 HA TRP 30 -7.446 -8.226 -0.815 248 HB2 TRP 30 2HB TRP 30 -9.369 -9.163 -2.981 249 HB3 TRP 30 1HB TRP 30 -7.997 -8.076 -3.192 250 HD1 TRP 30 HD1 TRP 30 -8.806 -11.501 -3.908 251 HE1 TRP 30 HE1 TRP 30 -6.733 -13.010 -3.993 252 HE3 TRP 30 HE3 TRP 30 -5.453 -8.409 -1.613 253 HZ2 TRP 30 HZ2 TRP 30 -4.033 -12.906 -3.199 254 HZ3 TRP 30 HZ3 TRP 30 -3.145 -9.181 -1.309 255 HH2 TRP 30 HH2 TRP 30 -2.448 -11.384 -2.086 256 H ASP 31 H ASP 31 -10.944 -8.691 -0.864 257 HA ASP 31 HA ASP 31 -11.836 -6.118 -1.448 258 HB2 ASP 31 2HB ASP 31 -13.094 -8.158 0.444 259 HB3 ASP 31 1HB ASP 31 -13.933 -6.781 -0.261 260 H LEU 32 H LEU 32 -10.778 -7.508 1.618 261 HA LEU 32 HA LEU 32 -11.411 -5.173 3.215 262 HB2 LEU 32 2HB LEU 32 -9.797 -7.651 3.922 263 HB3 LEU 32 1HB LEU 32 -10.374 -6.442 5.060 264 HG LEU 32 HG LEU 32 -12.107 -8.345 3.435 265 HD11 LEU 32 1HD1 LEU 32 -11.580 -8.233 6.420 266 HD12 LEU 32 2HD1 LEU 32 -10.954 -9.439 5.294 267 HD13 LEU 32 3HD1 LEU 32 -12.685 -9.340 5.600 268 HD21 LEU 32 1HD2 LEU 32 -14.035 -7.424 4.674 269 HD22 LEU 32 2HD2 LEU 32 -13.268 -6.205 3.661 270 HD23 LEU 32 3HD2 LEU 32 -12.989 -6.204 5.404 271 H LEU 33 H LEU 33 -8.533 -6.568 1.688 272 HA LEU 33 HA LEU 33 -6.537 -4.819 2.640 273 HB2 LEU 33 2HB LEU 33 -5.972 -6.827 1.348 274 HB3 LEU 33 1HB LEU 33 -6.841 -6.217 -0.047 275 HG LEU 33 HG LEU 33 -5.108 -4.324 -0.170 276 HD11 LEU 33 1HD1 LEU 33 -3.603 -6.056 1.801 277 HD12 LEU 33 2HD1 LEU 33 -4.222 -4.427 2.077 278 HD13 LEU 33 3HD1 LEU 33 -2.936 -4.686 0.906 279 HD21 LEU 33 1HD2 LEU 33 -4.058 -7.137 -0.575 280 HD22 LEU 33 2HD2 LEU 33 -3.427 -5.664 -1.322 281 HD23 LEU 33 3HD2 LEU 33 -5.050 -6.224 -1.716 282 H LEU 34 H LEU 34 -8.926 -4.494 0.073 283 HA LEU 34 HA LEU 34 -7.961 -2.010 -1.036 284 HB2 LEU 34 2HB LEU 34 -10.567 -3.538 -1.422 285 HB3 LEU 34 1HB LEU 34 -10.093 -2.133 -2.372 286 HG LEU 34 HG LEU 34 -8.545 -4.750 -2.289 287 HD11 LEU 34 1HD1 LEU 34 -9.410 -5.191 -4.539 288 HD12 LEU 34 2HD1 LEU 34 -10.444 -3.765 -4.433 289 HD13 LEU 34 3HD1 LEU 34 -10.703 -5.129 -3.342 290 HD21 LEU 34 1HD2 LEU 34 -7.109 -2.859 -2.774 291 HD22 LEU 34 2HD2 LEU 34 -8.198 -2.319 -4.055 292 HD23 LEU 34 3HD2 LEU 34 -7.328 -3.844 -4.219 293 H GLN 35 H GLN 35 -10.432 -3.023 1.250 294 HA GLN 35 HA GLN 35 -11.755 -0.590 1.700 295 HB2 GLN 35 2HB GLN 35 -12.535 -2.774 2.611 296 HB3 GLN 35 1HB GLN 35 -11.144 -2.836 3.686 297 HG2 GLN 35 2HG GLN 35 -13.149 -2.168 4.906 298 HG3 GLN 35 1HG GLN 35 -11.977 -0.856 4.889 299 HE21 GLN 35 1HE2 GLN 35 -14.062 -1.624 2.130 300 HE22 GLN 35 2HE2 GLN 35 -15.016 -0.191 2.239 301 H GLN 36 H GLN 36 -8.803 -1.969 3.099 302 HA GLN 36 HA GLN 36 -8.323 0.384 4.756 303 HB2 GLN 36 2HB GLN 36 -6.751 -2.213 4.516 304 HB3 GLN 36 1HB GLN 36 -6.444 -0.931 5.688 305 HG2 GLN 36 2HG GLN 36 -8.914 -2.675 5.507 306 HG3 GLN 36 1HG GLN 36 -7.680 -2.709 6.767 307 HE21 GLN 36 1HE2 GLN 36 -10.634 -2.197 6.835 308 HE22 GLN 36 2HE2 GLN 36 -10.810 -0.706 7.685 309 H GLU 37 H GLU 37 -7.471 -0.624 1.597 310 HA GLU 37 HA GLU 37 -4.963 0.543 1.190 311 HB2 GLU 37 2HB GLU 37 -5.990 -0.726 -0.612 312 HB3 GLU 37 1HB GLU 37 -7.377 0.354 -0.668 313 HG2 GLU 37 2HG GLU 37 -5.842 2.190 -1.446 314 HG3 GLU 37 1HG GLU 37 -4.535 1.014 -1.519 315 H VAL 38 H VAL 38 -8.192 1.996 0.816 316 HA VAL 38 HA VAL 38 -7.346 4.563 0.046 317 HB VAL 38 HB VAL 38 -9.676 5.318 0.496 318 HG11 VAL 38 1HG1 VAL 38 -10.800 3.844 -1.133 319 HG12 VAL 38 2HG1 VAL 38 -9.521 2.640 -0.941 320 HG13 VAL 38 3HG1 VAL 38 -9.151 4.220 -1.634 321 HG21 VAL 38 1HG2 VAL 38 -10.156 2.524 1.618 322 HG22 VAL 38 2HG2 VAL 38 -11.397 3.744 1.314 323 HG23 VAL 38 3HG2 VAL 38 -10.165 4.030 2.542 324 H SER 39 H SER 39 -8.089 3.223 3.245 325 HA SER 39 HA SER 39 -8.071 5.714 4.659 326 HB2 SER 39 2HB SER 39 -8.111 4.210 6.691 327 HB3 SER 39 1HB SER 39 -9.370 3.838 5.512 328 HG SER 39 HG SER 39 -8.076 2.021 6.420 329 H TYR 40 H TYR 40 -5.748 3.096 4.179 330 HA TYR 40 HA TYR 40 -3.738 3.920 5.983 331 HB2 TYR 40 2HB TYR 40 -3.871 1.630 5.210 332 HB3 TYR 40 1HB TYR 40 -3.685 2.125 3.532 333 HD1 TYR 40 HD1 TYR 40 -1.740 2.823 6.690 334 HD2 TYR 40 HD2 TYR 40 -1.659 1.334 2.681 335 HE1 TYR 40 HE1 TYR 40 0.663 2.404 6.884 336 HE2 TYR 40 HE2 TYR 40 0.751 0.915 2.885 337 HH TYR 40 HH TYR 40 2.652 1.775 4.273 338 H LEU 41 H LEU 41 -3.884 4.165 2.429 339 HA LEU 41 HA LEU 41 -1.493 5.630 2.132 340 HB2 LEU 41 2HB LEU 41 -3.868 5.337 0.252 341 HB3 LEU 41 1HB LEU 41 -2.322 6.039 -0.204 342 HG LEU 41 HG LEU 41 -2.699 3.160 0.736 343 HD11 LEU 41 1HD1 LEU 41 -2.246 4.183 -2.085 344 HD12 LEU 41 2HD1 LEU 41 -3.744 3.501 -1.455 345 HD13 LEU 41 3HD1 LEU 41 -2.310 2.487 -1.592 346 HD21 LEU 41 1HD2 LEU 41 -0.372 2.817 -0.002 347 HD22 LEU 41 2HD2 LEU 41 -0.470 4.012 1.287 348 HD23 LEU 41 3HD2 LEU 41 -0.230 4.536 -0.381 349 H GLN 42 H GLN 42 -4.909 6.641 2.424 350 HA GLN 42 HA GLN 42 -4.697 9.402 2.113 351 HB2 GLN 42 2HB GLN 42 -6.841 8.258 2.415 352 HB3 GLN 42 1HB GLN 42 -6.407 7.797 4.055 353 HG2 GLN 42 2HG GLN 42 -6.432 10.196 4.709 354 HG3 GLN 42 1HG GLN 42 -6.938 10.621 3.074 355 HE21 GLN 42 1HE2 GLN 42 -8.741 8.309 2.792 356 HE22 GLN 42 2HE2 GLN 42 -10.107 8.659 3.784 357 H SER 43 H SER 43 -4.154 7.444 5.051 358 HA SER 43 HA SER 43 -3.679 9.529 6.874 359 HB2 SER 43 2HB SER 43 -2.639 6.664 6.933 360 HB3 SER 43 1HB SER 43 -2.632 7.775 8.307 361 HG SER 43 HG SER 43 -4.674 6.274 7.274 362 H ILE 44 H ILE 44 -1.428 7.664 4.826 363 HA ILE 44 HA ILE 44 0.985 8.881 5.736 364 HB ILE 44 HB ILE 44 0.486 7.609 2.997 365 HG12 ILE 44 2HG1 ILE 44 1.547 6.297 5.550 366 HG13 ILE 44 1HG1 ILE 44 -0.065 6.055 4.890 367 HG21 ILE 44 1HG2 ILE 44 2.547 8.958 3.042 368 HG22 ILE 44 2HG2 ILE 44 2.956 7.245 2.981 369 HG23 ILE 44 3HG2 ILE 44 3.087 8.127 4.502 370 HD11 ILE 44 1HD1 ILE 44 2.525 5.256 3.563 371 HD12 ILE 44 2HD1 ILE 44 0.906 5.022 2.895 372 HD13 ILE 44 3HD1 ILE 44 1.378 4.189 4.374 373 H GLU 45 H GLU 45 -1.276 9.633 3.116 374 HA GLU 45 HA GLU 45 0.250 11.680 1.860 375 HB2 GLU 45 2HB GLU 45 -2.725 11.025 1.753 376 HB3 GLU 45 1HB GLU 45 -1.976 12.278 0.766 377 HG2 GLU 45 2HG GLU 45 -0.560 10.621 -0.342 378 HG3 GLU 45 1HG GLU 45 -1.200 9.350 0.694 379 H THR 46 H THR 46 -2.005 11.693 4.580 380 HA THR 46 HA THR 46 -2.319 14.587 4.487 381 HB THR 46 HB THR 46 -4.258 13.119 5.084 382 HG1 THR 46 HG1 THR 46 -4.235 15.329 5.678 383 HG21 THR 46 1HG2 THR 46 -3.109 11.486 6.540 384 HG22 THR 46 2HG2 THR 46 -4.475 12.236 7.364 385 HG23 THR 46 3HG2 THR 46 -2.828 12.750 7.739 386 H VAL 47 H VAL 47 -0.394 12.243 6.396 387 HA VAL 47 HA VAL 47 0.658 14.312 8.136 388 HB VAL 47 HB VAL 47 2.423 12.711 8.803 389 HG11 VAL 47 1HG1 VAL 47 -0.325 11.413 8.749 390 HG12 VAL 47 2HG1 VAL 47 0.245 12.591 9.932 391 HG13 VAL 47 3HG1 VAL 47 1.000 11.000 9.844 392 HG21 VAL 47 1HG2 VAL 47 1.265 10.833 6.711 393 HG22 VAL 47 2HG2 VAL 47 2.476 10.394 7.921 394 HG23 VAL 47 3HG2 VAL 47 2.861 11.584 6.679 395 H MET 48 H MET 48 1.455 13.073 4.957 396 HA MET 48 HA MET 48 4.005 14.543 4.843 397 HB2 MET 48 2HB MET 48 2.858 12.346 3.093 398 HB3 MET 48 1HB MET 48 4.332 13.221 2.694 399 HG2 MET 48 2HG MET 48 3.881 11.509 5.149 400 HG3 MET 48 1HG MET 48 4.894 11.124 3.755 401 HE1 MET 48 1HE MET 48 7.133 10.718 4.974 402 HE2 MET 48 2HE MET 48 6.273 10.820 6.513 403 HE3 MET 48 3HE MET 48 7.759 11.737 6.268 404 H GLU 49 H GLU 49 0.811 15.183 3.935 405 HA GLU 49 HA GLU 49 1.413 16.880 1.681 406 HB2 GLU 49 2HB GLU 49 -0.769 17.917 2.027 407 HB3 GLU 49 1HB GLU 49 -0.930 16.176 2.200 408 HG2 GLU 49 2HG GLU 49 -1.035 16.383 4.632 409 HG3 GLU 49 1HG GLU 49 -0.738 18.115 4.527 410 H LYS 50 H LYS 50 1.517 17.135 5.127 411 HA LYS 50 HA LYS 50 2.270 19.948 5.199 412 HB2 LYS 50 2HB LYS 50 0.863 18.356 6.953 413 HB3 LYS 50 1HB LYS 50 2.461 18.212 7.660 414 HG2 LYS 50 2HG LYS 50 0.897 20.782 7.217 415 HG3 LYS 50 1HG LYS 50 1.196 19.981 8.756 416 HD2 LYS 50 2HD LYS 50 3.312 21.239 6.980 417 HD3 LYS 50 1HD LYS 50 2.647 21.953 8.449 418 HE2 LYS 50 2HE LYS 50 3.636 20.253 9.826 419 HE3 LYS 50 1HE LYS 50 4.077 19.278 8.420 420 HZ1 LYS 50 1HZ LYS 50 5.204 21.931 9.141 421 HZ2 LYS 50 2HZ LYS 50 5.580 21.071 7.736 422 HZ3 LYS 50 3HZ LYS 50 5.993 20.438 9.246 423 H GLN 51 H GLN 51 3.645 16.721 5.531 424 HA GLN 51 HA GLN 51 5.697 15.825 5.394 425 HB2 GLN 51 2HB GLN 51 6.775 18.576 4.642 426 HB3 GLN 51 1HB GLN 51 7.579 17.031 4.391 427 HG2 GLN 51 2HG GLN 51 5.854 16.385 2.766 428 HG3 GLN 51 1HG GLN 51 5.018 17.915 3.025 429 HE21 GLN 51 1HE2 GLN 51 6.007 16.894 0.547 430 HE22 GLN 51 2HE2 GLN 51 7.170 18.027 -0.046 431 H THR 52 H THR 52 4.967 16.044 7.807 432 HA THR 52 HA THR 52 5.622 15.884 9.943 433 HB THR 52 HB THR 52 8.436 16.376 8.873 434 HG1 THR 52 HG1 THR 52 8.270 14.382 8.213 435 HG21 THR 52 1HG2 THR 52 9.240 15.280 10.935 436 HG22 THR 52 2HG2 THR 52 7.585 15.151 11.532 437 HG23 THR 52 3HG2 THR 52 8.333 16.738 11.338 438 HA PRO 53 HA PRO 53 5.581 20.312 11.265 439 HB2 PRO 53 2HB PRO 53 4.618 19.797 13.806 440 HB3 PRO 53 1HB PRO 53 3.569 19.895 12.378 441 HG2 PRO 53 2HG PRO 53 4.690 17.449 13.713 442 HG3 PRO 53 1HG PRO 53 3.029 17.761 13.151 443 HD2 PRO 53 2HD PRO 53 4.741 16.293 11.679 444 HD3 PRO 53 1HD PRO 53 3.569 17.383 10.910 445 HA PRO 54 HA PRO 54 9.545 19.893 13.579 446 HB2 PRO 54 2HB PRO 54 9.749 22.844 13.421 447 HB3 PRO 54 1HB PRO 54 10.771 21.616 12.645 448 HG2 PRO 54 2HG PRO 54 9.091 23.220 11.231 449 HG3 PRO 54 1HG PRO 54 9.514 21.573 10.712 450 HD2 PRO 54 2HD PRO 54 7.022 22.519 12.138 451 HD3 PRO 54 1HD PRO 54 7.182 21.397 10.762 452 H GLY 55 H GLY 55 8.737 19.311 15.550 453 HA2 GLY 55 2HA GLY 55 8.756 20.939 17.772 454 HA3 GLY 55 1HA GLY 55 7.072 20.934 17.232 455 H ILE 56 H ILE 56 9.539 18.409 17.130 456 HA ILE 56 HA ILE 56 7.672 16.508 18.431 457 HB ILE 56 HB ILE 56 10.004 15.802 16.568 458 HG12 ILE 56 2HG1 ILE 56 8.496 17.203 15.227 459 HG13 ILE 56 1HG1 ILE 56 8.350 15.533 14.702 460 HG21 ILE 56 1HG2 ILE 56 8.843 13.654 16.297 461 HG22 ILE 56 2HG2 ILE 56 7.548 14.197 17.363 462 HG23 ILE 56 3HG2 ILE 56 9.178 13.973 18.001 463 HD11 ILE 56 1HD1 ILE 56 6.247 15.374 16.044 464 HD12 ILE 56 2HD1 ILE 56 6.189 16.535 14.719 465 HD13 ILE 56 3HD1 ILE 56 6.395 17.103 16.375 466 H THR 57 H THR 57 8.322 16.113 20.526 467 HA THR 57 HA THR 57 11.031 16.504 21.431 468 HB THR 57 HB THR 57 9.019 16.865 22.909 469 HG1 THR 57 HG1 THR 57 10.384 16.587 24.486 470 HG21 THR 57 1HG2 THR 57 7.689 14.875 22.316 471 HG22 THR 57 2HG2 THR 57 8.004 14.929 24.049 472 HG23 THR 57 3HG2 THR 57 8.922 13.825 23.024 473 H ARG 58 H ARG 58 11.935 14.582 22.899 474 HA ARG 58 HA ARG 58 12.858 12.624 21.069 475 HB2 ARG 58 2HB ARG 58 13.997 11.643 23.189 476 HB3 ARG 58 1HB ARG 58 14.421 13.280 22.715 477 HG2 ARG 58 2HG ARG 58 14.200 13.437 25.045 478 HG3 ARG 58 1HG ARG 58 12.678 14.070 24.437 479 HD2 ARG 58 2HD ARG 58 11.709 11.719 24.863 480 HD3 ARG 58 1HD ARG 58 13.188 11.388 25.763 481 HE ARG 58 HE ARG 58 12.182 13.747 26.801 482 HH11 ARG 58 1HH1 ARG 58 11.057 10.409 26.574 483 HH12 ARG 58 2HH1 ARG 58 10.076 10.522 28.001 484 HH21 ARG 58 1HH2 ARG 58 10.856 13.883 28.640 485 HH22 ARG 58 2HH2 ARG 58 9.968 12.486 29.175 486 H SER 59 H SER 59 10.272 12.569 23.447 487 HA SER 59 HA SER 59 9.988 9.719 23.622 488 HB2 SER 59 2HB SER 59 9.242 11.216 25.440 489 HB3 SER 59 1HB SER 59 8.026 11.927 24.379 490 HG SER 59 HG SER 59 8.166 9.194 25.163 491 H ILE 60 H ILE 60 8.357 12.293 21.817 492 HA ILE 60 HA ILE 60 6.390 10.621 20.564 493 HB ILE 60 HB ILE 60 7.312 13.464 19.931 494 HG12 ILE 60 2HG1 ILE 60 4.804 12.478 21.376 495 HG13 ILE 60 1HG1 ILE 60 6.246 13.079 22.186 496 HG21 ILE 60 1HG2 ILE 60 5.220 13.689 18.595 497 HG22 ILE 60 2HG2 ILE 60 4.903 11.968 18.818 498 HG23 ILE 60 3HG2 ILE 60 6.319 12.491 17.905 499 HD11 ILE 60 1HD1 ILE 60 4.436 14.655 20.373 500 HD12 ILE 60 2HD1 ILE 60 5.913 15.260 21.129 501 HD13 ILE 60 3HD1 ILE 60 4.549 14.765 22.130 502 H GLN 61 H GLN 61 9.480 12.040 19.596 503 HA GLN 61 HA GLN 61 9.657 11.160 16.935 504 HB2 GLN 61 2HB GLN 61 11.110 12.884 17.935 505 HB3 GLN 61 1HB GLN 61 11.844 11.689 18.996 506 HG2 GLN 61 2HG GLN 61 12.832 10.558 17.050 507 HG3 GLN 61 1HG GLN 61 12.061 11.730 15.975 508 HE21 GLN 61 1HE2 GLN 61 12.838 13.868 15.939 509 HE22 GLN 61 2HE2 GLN 61 14.378 14.301 16.592 510 H ASP 62 H ASP 62 10.519 9.627 20.007 511 HA ASP 62 HA ASP 62 11.708 7.250 19.046 512 HB2 ASP 62 2HB ASP 62 11.810 8.107 21.418 513 HB3 ASP 62 1HB ASP 62 10.122 7.664 21.631 514 H MET 63 H MET 63 8.341 7.988 20.032 515 HA MET 63 HA MET 63 7.211 5.446 19.657 516 HB2 MET 63 2HB MET 63 5.868 8.172 19.469 517 HB3 MET 63 1HB MET 63 4.990 6.651 19.473 518 HG2 MET 63 2HG MET 63 5.998 6.194 21.741 519 HG3 MET 63 1HG MET 63 6.598 7.853 21.720 520 HE1 MET 63 1HE MET 63 4.007 9.186 20.020 521 HE2 MET 63 2HE MET 63 4.865 10.001 21.333 522 HE3 MET 63 3HE MET 63 3.114 9.821 21.402 523 H VAL 64 H VAL 64 7.100 8.282 17.478 524 HA VAL 64 HA VAL 64 5.728 6.903 15.411 525 HB VAL 64 HB VAL 64 6.033 8.864 14.006 526 HG11 VAL 64 1HG1 VAL 64 4.906 10.535 15.412 527 HG12 VAL 64 2HG1 VAL 64 5.383 9.664 16.872 528 HG13 VAL 64 3HG1 VAL 64 4.270 8.920 15.721 529 HG21 VAL 64 1HG2 VAL 64 7.919 9.952 16.130 530 HG22 VAL 64 2HG2 VAL 64 7.364 10.815 14.690 531 HG23 VAL 64 3HG2 VAL 64 8.382 9.386 14.523 532 H ALA 65 H ALA 65 9.188 7.357 16.068 533 HA ALA 65 HA ALA 65 10.163 6.403 13.578 534 HB1 ALA 65 1HB ALA 65 12.228 5.800 14.784 535 HB2 ALA 65 2HB ALA 65 11.405 6.038 16.330 536 HB3 ALA 65 3HB ALA 65 11.665 7.405 15.246 537 H GLY 66 H GLY 66 9.088 4.744 16.533 538 HA2 GLY 66 2HA GLY 66 9.487 2.061 15.725 539 HA3 GLY 66 1HA GLY 66 8.305 2.620 16.908 540 H TYR 67 H TYR 67 6.679 4.245 15.360 541 HA TYR 67 HA TYR 67 4.916 2.367 14.183 542 HB2 TYR 67 2HB TYR 67 4.910 5.409 14.164 543 HB3 TYR 67 1HB TYR 67 3.614 4.451 13.456 544 HD1 TYR 67 HD1 TYR 67 4.218 6.348 16.231 545 HD2 TYR 67 HD2 TYR 67 2.949 2.373 15.286 546 HE1 TYR 67 HE1 TYR 67 3.047 6.200 18.391 547 HE2 TYR 67 HE2 TYR 67 1.781 2.236 17.436 548 HH TYR 67 HH TYR 67 1.620 3.191 19.507 549 H ILE 68 H ILE 68 7.241 4.635 12.776 550 HA ILE 68 HA ILE 68 6.449 4.233 10.042 551 HB ILE 68 HB ILE 68 9.091 5.376 11.110 552 HG12 ILE 68 2HG1 ILE 68 6.678 6.865 9.974 553 HG13 ILE 68 1HG1 ILE 68 7.040 6.738 11.684 554 HG21 ILE 68 1HG2 ILE 68 9.361 4.519 8.815 555 HG22 ILE 68 2HG2 ILE 68 9.409 6.279 8.809 556 HG23 ILE 68 3HG2 ILE 68 7.951 5.437 8.282 557 HD11 ILE 68 1HD1 ILE 68 8.765 8.110 9.623 558 HD12 ILE 68 2HD1 ILE 68 9.105 7.999 11.352 559 HD13 ILE 68 3HD1 ILE 68 7.694 8.893 10.784 560 H LYS 69 H LYS 69 8.936 2.911 12.212 561 HA LYS 69 HA LYS 69 10.334 1.262 10.423 562 HB2 LYS 69 2HB LYS 69 11.131 1.768 12.693 563 HB3 LYS 69 1HB LYS 69 9.782 0.882 13.395 564 HG2 LYS 69 2HG LYS 69 10.676 -1.232 12.479 565 HG3 LYS 69 1HG LYS 69 12.004 -0.347 11.723 566 HD2 LYS 69 2HD LYS 69 12.705 -1.459 13.828 567 HD3 LYS 69 1HD LYS 69 12.885 0.295 13.917 568 HE2 LYS 69 2HE LYS 69 11.961 -0.615 16.009 569 HE3 LYS 69 1HE LYS 69 10.796 0.450 15.225 570 HZ1 LYS 69 1HZ LYS 69 9.715 -1.522 16.051 571 HZ2 LYS 69 2HZ LYS 69 10.770 -2.522 15.191 572 HZ3 LYS 69 3HZ LYS 69 9.674 -1.543 14.360 573 H GLN 70 H GLN 70 7.401 0.630 12.341 574 HA GLN 70 HA GLN 70 6.954 -2.070 11.613 575 HB2 GLN 70 2HB GLN 70 4.911 0.070 12.348 576 HB3 GLN 70 1HB GLN 70 4.567 -1.652 12.233 577 HG2 GLN 70 2HG GLN 70 6.205 -2.035 14.098 578 HG3 GLN 70 1HG GLN 70 6.353 -0.287 14.258 579 HE21 GLN 70 1HE2 GLN 70 3.339 -2.040 13.530 580 HE22 GLN 70 2HE2 GLN 70 2.554 -1.643 15.015 581 H THR 71 H THR 71 5.708 0.989 10.297 582 HA THR 71 HA THR 71 4.005 -0.238 8.413 583 HB THR 71 HB THR 71 3.866 2.174 9.457 584 HG1 THR 71 HG1 THR 71 3.193 1.551 6.763 585 HG21 THR 71 1HG2 THR 71 5.993 3.066 8.499 586 HG22 THR 71 2HG2 THR 71 4.581 3.996 8.002 587 HG23 THR 71 3HG2 THR 71 5.326 2.859 6.876 588 H LEU 72 H LEU 72 7.362 0.754 8.278 589 HA LEU 72 HA LEU 72 7.717 0.680 5.447 590 HB2 LEU 72 2HB LEU 72 9.697 0.416 7.747 591 HB3 LEU 72 1HB LEU 72 10.196 0.377 6.063 592 HG LEU 72 HG LEU 72 8.809 2.736 7.388 593 HD11 LEU 72 1HD1 LEU 72 11.052 2.395 8.313 594 HD12 LEU 72 2HD1 LEU 72 10.992 3.846 7.318 595 HD13 LEU 72 3HD1 LEU 72 11.743 2.378 6.687 596 HD21 LEU 72 1HD2 LEU 72 10.034 2.451 4.624 597 HD22 LEU 72 2HD2 LEU 72 9.437 3.952 5.330 598 HD23 LEU 72 3HD2 LEU 72 8.319 2.633 5.007 599 H ASP 73 H ASP 73 8.391 -1.634 8.079 600 HA ASP 73 HA ASP 73 9.377 -3.790 6.602 601 HB2 ASP 73 2HB ASP 73 9.519 -3.840 9.028 602 HB3 ASP 73 1HB ASP 73 7.769 -3.733 9.198 603 H ASN 74 H ASN 74 6.046 -3.099 7.602 604 HA ASN 74 HA ASN 74 4.821 -5.402 6.511 605 HB2 ASN 74 2HB ASN 74 3.661 -2.713 7.360 606 HB3 ASN 74 1HB ASN 74 2.682 -4.106 6.920 607 HD21 ASN 74 1HD2 ASN 74 5.636 -4.784 8.709 608 HD22 ASN 74 2HD2 ASN 74 4.867 -5.055 10.227 609 H GLU 75 H GLU 75 5.224 -2.101 5.299 610 HA GLU 75 HA GLU 75 3.628 -2.432 2.939 611 HB2 GLU 75 2HB GLU 75 3.864 -0.303 4.104 612 HB3 GLU 75 1HB GLU 75 5.592 -0.281 3.790 613 HG2 GLU 75 2HG GLU 75 5.249 0.131 1.467 614 HG3 GLU 75 1HG GLU 75 3.517 -0.194 1.593 615 H GLN 76 H GLN 76 7.014 -2.846 3.707 616 HA GLN 76 HA GLN 76 7.999 -3.173 1.033 617 HB2 GLN 76 2HB GLN 76 9.502 -2.709 2.941 618 HB3 GLN 76 1HB GLN 76 9.055 -4.237 3.688 619 HG2 GLN 76 2HG GLN 76 10.044 -5.407 1.669 620 HG3 GLN 76 1HG GLN 76 10.645 -3.835 1.138 621 HE21 GLN 76 1HE2 GLN 76 10.515 -4.963 4.495 622 HE22 GLN 76 2HE2 GLN 76 12.222 -5.036 4.721 623 H LEU 77 H LEU 77 6.698 -5.353 3.522 624 HA LEU 77 HA LEU 77 7.005 -7.786 2.083 625 HB2 LEU 77 2HB LEU 77 5.031 -7.089 4.289 626 HB3 LEU 77 1HB LEU 77 5.345 -8.713 3.700 627 HG LEU 77 HG LEU 77 7.320 -6.931 5.174 628 HD11 LEU 77 1HD1 LEU 77 5.573 -7.844 6.626 629 HD12 LEU 77 2HD1 LEU 77 7.146 -8.541 6.997 630 HD13 LEU 77 3HD1 LEU 77 5.961 -9.481 6.086 631 HD21 LEU 77 1HD2 LEU 77 8.858 -8.855 5.160 632 HD22 LEU 77 2HD2 LEU 77 8.530 -8.261 3.535 633 HD23 LEU 77 3HD2 LEU 77 7.747 -9.737 4.106 634 H LEU 78 H LEU 78 4.448 -5.328 2.199 635 HA LEU 78 HA LEU 78 2.518 -6.594 0.554 636 HB2 LEU 78 2HB LEU 78 3.170 -3.628 0.828 637 HB3 LEU 78 1HB LEU 78 1.746 -4.257 0.013 638 HG LEU 78 HG LEU 78 2.330 -4.641 2.968 639 HD11 LEU 78 1HD1 LEU 78 0.714 -2.911 3.406 640 HD12 LEU 78 2HD1 LEU 78 0.401 -2.689 1.682 641 HD13 LEU 78 3HD1 LEU 78 1.974 -2.262 2.359 642 HD21 LEU 78 1HD2 LEU 78 -0.179 -5.234 1.358 643 HD22 LEU 78 2HD2 LEU 78 -0.019 -5.375 3.110 644 HD23 LEU 78 3HD2 LEU 78 0.922 -6.425 2.057 645 H LYS 79 H LYS 79 5.276 -4.478 -0.176 646 HA LYS 79 HA LYS 79 4.981 -4.135 -2.913 647 HB2 LYS 79 2HB LYS 79 6.631 -2.880 -1.626 648 HB3 LYS 79 1HB LYS 79 7.509 -4.352 -1.228 649 HG2 LYS 79 2HG LYS 79 8.131 -4.632 -3.602 650 HG3 LYS 79 1HG LYS 79 7.259 -3.149 -4.006 651 HD2 LYS 79 2HD LYS 79 8.798 -1.832 -2.615 652 HD3 LYS 79 1HD LYS 79 9.616 -3.307 -2.088 653 HE2 LYS 79 2HE LYS 79 10.903 -2.140 -3.823 654 HE3 LYS 79 1HE LYS 79 10.378 -3.727 -4.388 655 HZ1 LYS 79 1HZ LYS 79 10.089 -1.992 -6.066 656 HZ2 LYS 79 2HZ LYS 79 9.041 -1.156 -5.040 657 HZ3 LYS 79 3HZ LYS 79 8.608 -2.677 -5.627 658 H GLY 80 H GLY 80 6.897 -6.668 -1.224 659 HA2 GLY 80 2HA GLY 80 7.675 -8.106 -3.550 660 HA3 GLY 80 1HA GLY 80 7.759 -8.686 -1.897 661 H LEU 81 H LEU 81 5.140 -8.734 -1.133 662 HA LEU 81 HA LEU 81 4.316 -11.258 -2.106 663 HB2 LEU 81 2HB LEU 81 3.968 -10.287 0.211 664 HB3 LEU 81 1HB LEU 81 2.685 -9.292 -0.437 665 HG LEU 81 HG LEU 81 2.563 -12.347 -0.504 666 HD11 LEU 81 1HD1 LEU 81 2.818 -11.655 1.833 667 HD12 LEU 81 2HD1 LEU 81 1.193 -12.261 1.535 668 HD13 LEU 81 3HD1 LEU 81 1.473 -10.522 1.671 669 HD21 LEU 81 1HD2 LEU 81 0.120 -12.017 -0.667 670 HD22 LEU 81 2HD2 LEU 81 0.960 -11.253 -2.012 671 HD23 LEU 81 3HD2 LEU 81 0.351 -10.264 -0.685 672 H LEU 82 H LEU 82 2.801 -8.029 -2.439 673 HA LEU 82 HA LEU 82 0.748 -8.881 -4.206 674 HB2 LEU 82 2HB LEU 82 1.774 -6.050 -3.763 675 HB3 LEU 82 1HB LEU 82 0.266 -6.477 -4.557 676 HG LEU 82 HG LEU 82 0.930 -6.894 -1.611 677 HD11 LEU 82 1HD1 LEU 82 -0.841 -5.239 -1.181 678 HD12 LEU 82 2HD1 LEU 82 -1.056 -5.001 -2.917 679 HD13 LEU 82 3HD1 LEU 82 0.467 -4.555 -2.145 680 HD21 LEU 82 1HD2 LEU 82 -0.453 -8.746 -2.392 681 HD22 LEU 82 2HD2 LEU 82 -1.626 -7.616 -3.072 682 HD23 LEU 82 3HD2 LEU 82 -1.376 -7.685 -1.327 683 H GLN 83 H GLN 83 4.080 -7.822 -4.771 684 HA GLN 83 HA GLN 83 3.884 -7.332 -7.558 685 HB2 GLN 83 2HB GLN 83 5.869 -6.688 -6.292 686 HB3 GLN 83 1HB GLN 83 6.231 -8.369 -5.926 687 HG2 GLN 83 2HG GLN 83 6.711 -8.803 -8.292 688 HG3 GLN 83 1HG GLN 83 6.279 -7.142 -8.702 689 HE21 GLN 83 1HE2 GLN 83 8.116 -8.054 -5.813 690 HE22 GLN 83 2HE2 GLN 83 9.600 -7.344 -6.323 691 H GLN 84 H GLN 84 4.570 -10.300 -5.730 692 HA GLN 84 HA GLN 84 4.808 -12.126 -7.860 693 HB2 GLN 84 2HB GLN 84 3.651 -12.595 -5.076 694 HB3 GLN 84 1HB GLN 84 4.164 -13.862 -6.185 695 HG2 GLN 84 2HG GLN 84 6.475 -13.161 -6.017 696 HG3 GLN 84 1HG GLN 84 6.023 -11.742 -5.079 697 HE21 GLN 84 1HE2 GLN 84 4.636 -14.960 -4.536 698 HE22 GLN 84 2HE2 GLN 84 5.374 -15.199 -2.996 699 H ARG 85 H ARG 85 1.980 -11.094 -5.976 700 HA ARG 85 HA ARG 85 -0.011 -12.675 -7.122 701 HB2 ARG 85 2HB ARG 85 -0.267 -9.877 -5.951 702 HB3 ARG 85 1HB ARG 85 -1.609 -10.978 -6.223 703 HG2 ARG 85 2HG ARG 85 0.697 -11.718 -4.415 704 HG3 ARG 85 1HG ARG 85 -0.663 -10.762 -3.835 705 HD2 ARG 85 2HD ARG 85 -1.077 -13.017 -3.229 706 HD3 ARG 85 1HD ARG 85 -2.182 -12.634 -4.544 707 HE ARG 85 HE ARG 85 -0.140 -13.853 -5.844 708 HH11 ARG 85 1HH1 ARG 85 -1.975 -14.776 -2.975 709 HH12 ARG 85 2HH1 ARG 85 -1.815 -16.478 -3.272 710 HH21 ARG 85 1HH2 ARG 85 -0.009 -16.117 -6.252 711 HH22 ARG 85 2HH2 ARG 85 -0.707 -17.234 -5.119 712 H LEU 86 H LEU 86 0.968 -9.353 -7.981 713 HA LEU 86 HA LEU 86 -0.962 -9.007 -10.056 714 HB2 LEU 86 2HB LEU 86 1.527 -7.408 -9.344 715 HB3 LEU 86 1HB LEU 86 0.364 -6.913 -10.569 716 HG LEU 86 HG LEU 86 -0.277 -7.276 -7.615 717 HD11 LEU 86 1HD1 LEU 86 1.175 -5.343 -7.988 718 HD12 LEU 86 2HD1 LEU 86 -0.443 -4.849 -7.504 719 HD13 LEU 86 3HD1 LEU 86 0.051 -4.712 -9.194 720 HD21 LEU 86 1HD2 LEU 86 -1.993 -6.251 -9.887 721 HD22 LEU 86 2HD2 LEU 86 -2.427 -6.208 -8.179 722 HD23 LEU 86 3HD2 LEU 86 -2.211 -7.754 -8.987 723 H ASP 87 H ASP 87 2.300 -10.243 -9.981 724 HA ASP 87 HA ASP 87 2.808 -10.137 -12.802 725 HB2 ASP 87 2HB ASP 87 4.641 -10.385 -11.148 726 HB3 ASP 87 1HB ASP 87 4.011 -11.951 -10.656 727 H GLU 88 H GLU 88 1.368 -12.490 -10.580 728 HA GLU 88 HA GLU 88 0.878 -14.591 -12.457 729 HB2 GLU 88 2HB GLU 88 -0.429 -13.950 -9.778 730 HB3 GLU 88 1HB GLU 88 -0.703 -15.441 -10.677 731 HG2 GLU 88 2HG GLU 88 1.568 -16.157 -10.381 732 HG3 GLU 88 1HG GLU 88 2.062 -14.573 -9.783 733 H LEU 89 H LEU 89 -1.134 -11.951 -11.149 734 HA LEU 89 HA LEU 89 -3.542 -12.566 -12.471 735 HB2 LEU 89 2HB LEU 89 -2.534 -9.883 -11.418 736 HB3 LEU 89 1HB LEU 89 -4.174 -10.165 -11.979 737 HG LEU 89 HG LEU 89 -2.890 -11.561 -9.597 738 HD11 LEU 89 1HD1 LEU 89 -3.268 -9.194 -9.133 739 HD12 LEU 89 2HD1 LEU 89 -4.373 -10.196 -8.198 740 HD13 LEU 89 3HD1 LEU 89 -4.956 -9.341 -9.628 741 HD21 LEU 89 1HD2 LEU 89 -5.157 -12.407 -9.110 742 HD22 LEU 89 2HD2 LEU 89 -4.555 -12.999 -10.655 743 HD23 LEU 89 3HD2 LEU 89 -5.748 -11.699 -10.615 744 H SER 90 H SER 90 -0.851 -10.402 -13.352 745 HA SER 90 HA SER 90 -1.984 -9.440 -15.790 746 HB2 SER 90 2HB SER 90 -0.163 -8.259 -14.558 747 HB3 SER 90 1HB SER 90 0.954 -9.556 -14.976 748 HG SER 90 HG SER 90 1.294 -8.121 -16.546 749 H SER 91 H SER 91 0.066 -12.219 -14.980 750 HA SER 91 HA SER 91 0.689 -13.114 -17.595 751 HB2 SER 91 2HB SER 91 1.869 -13.982 -15.603 752 HB3 SER 91 1HB SER 91 0.380 -14.717 -15.012 753 HG SER 91 HG SER 91 1.025 -15.474 -17.564 754 H LEU 92 H LEU 92 -2.064 -13.662 -15.447 755 HA LEU 92 HA LEU 92 -3.461 -15.535 -17.079 756 HB2 LEU 92 2HB LEU 92 -4.486 -13.694 -14.868 757 HB3 LEU 92 1HB LEU 92 -5.420 -14.994 -15.594 758 HG LEU 92 HG LEU 92 -2.850 -15.381 -14.002 759 HD11 LEU 92 1HD1 LEU 92 -4.253 -16.323 -12.225 760 HD12 LEU 92 2HD1 LEU 92 -5.706 -15.927 -13.147 761 HD13 LEU 92 3HD1 LEU 92 -4.664 -14.637 -12.545 762 HD21 LEU 92 1HD2 LEU 92 -3.369 -17.780 -14.069 763 HD22 LEU 92 2HD2 LEU 92 -3.113 -17.124 -15.681 764 HD23 LEU 92 3HD2 LEU 92 -4.752 -17.460 -15.119 765 H ILE 93 H ILE 93 -3.731 -12.004 -16.603 766 HA ILE 93 HA ILE 93 -5.942 -11.476 -18.261 767 HB ILE 93 HB ILE 93 -3.649 -9.634 -17.411 768 HG12 ILE 93 2HG1 ILE 93 -6.519 -9.792 -16.366 769 HG13 ILE 93 1HG1 ILE 93 -5.129 -10.518 -15.574 770 HG21 ILE 93 1HG2 ILE 93 -4.644 -8.704 -19.461 771 HG22 ILE 93 2HG2 ILE 93 -5.070 -7.705 -18.073 772 HG23 ILE 93 3HG2 ILE 93 -6.259 -8.818 -18.755 773 HD11 ILE 93 1HD1 ILE 93 -5.609 -7.575 -16.001 774 HD12 ILE 93 2HD1 ILE 93 -4.152 -8.271 -15.286 775 HD13 ILE 93 3HD1 ILE 93 -5.709 -8.470 -14.483 776 H GLY 94 H GLY 94 -2.462 -11.558 -18.947 777 HA2 GLY 94 2HA GLY 94 -2.452 -10.458 -21.529 778 HA3 GLY 94 1HA GLY 94 -1.245 -11.568 -20.891 779 H GLN 95 H GLN 95 -3.354 -13.655 -20.446 780 HA GLN 95 HA GLN 95 -3.390 -14.801 -23.152 781 HB2 GLN 95 2HB GLN 95 -4.162 -16.086 -20.491 782 HB3 GLN 95 1HB GLN 95 -3.949 -16.921 -22.024 783 HG2 GLN 95 2HG GLN 95 -1.777 -15.554 -20.416 784 HG3 GLN 95 1HG GLN 95 -2.045 -17.293 -20.538 785 HE21 GLN 95 1HE2 GLN 95 -1.501 -18.342 -22.525 786 HE22 GLN 95 2HE2 GLN 95 -0.422 -17.609 -23.661 787 H VAL 96 H VAL 96 -5.653 -14.038 -20.479 788 HA VAL 96 HA VAL 96 -7.913 -15.228 -21.850 789 HB VAL 96 HB VAL 96 -9.216 -14.780 -19.829 790 HG11 VAL 96 1HG1 VAL 96 -7.796 -16.781 -19.847 791 HG12 VAL 96 2HG1 VAL 96 -7.923 -16.132 -18.213 792 HG13 VAL 96 3HG1 VAL 96 -6.454 -15.863 -19.154 793 HG21 VAL 96 1HG2 VAL 96 -8.355 -12.558 -19.209 794 HG22 VAL 96 2HG2 VAL 96 -6.805 -13.261 -18.757 795 HG23 VAL 96 3HG2 VAL 96 -8.255 -13.662 -17.835 796 H LEU 97 H LEU 97 -6.703 -11.988 -21.348 797 HA LEU 97 HA LEU 97 -9.089 -10.740 -22.530 798 HB2 LEU 97 2HB LEU 97 -7.714 -9.717 -20.582 799 HB3 LEU 97 1HB LEU 97 -6.477 -9.349 -21.765 800 HG LEU 97 HG LEU 97 -9.330 -8.245 -21.882 801 HD11 LEU 97 1HD1 LEU 97 -6.839 -6.871 -20.819 802 HD12 LEU 97 2HD1 LEU 97 -8.227 -7.410 -19.872 803 HD13 LEU 97 3HD1 LEU 97 -8.420 -6.117 -21.050 804 HD21 LEU 97 1HD2 LEU 97 -8.275 -8.218 -24.086 805 HD22 LEU 97 2HD2 LEU 97 -6.861 -7.391 -23.435 806 HD23 LEU 97 3HD2 LEU 97 -8.425 -6.575 -23.464 807 H PHE 98 H PHE 98 -9.231 -10.884 -24.674 808 HA PHE 98 HA PHE 98 -6.925 -11.196 -26.426 809 HB2 PHE 98 2HB PHE 98 -9.850 -10.894 -27.233 810 HB3 PHE 98 1HB PHE 98 -8.542 -11.581 -28.192 811 HD1 PHE 98 HD1 PHE 98 -7.465 -13.775 -27.346 812 HD2 PHE 98 HD2 PHE 98 -11.197 -12.295 -25.869 813 HE1 PHE 98 HE1 PHE 98 -8.033 -16.021 -26.513 814 HE2 PHE 98 HE2 PHE 98 -11.757 -14.541 -25.040 815 HZ PHE 98 HZ PHE 98 -10.177 -16.404 -25.362 816 H GLN 99 H GLN 99 -5.827 -9.268 -26.410 817 HA GLN 99 HA GLN 99 -7.230 -6.710 -26.612 818 HB2 GLN 99 2HB GLN 99 -4.822 -5.774 -26.369 819 HB3 GLN 99 1HB GLN 99 -5.534 -6.598 -24.994 820 HG2 GLN 99 2HG GLN 99 -3.273 -7.318 -25.101 821 HG3 GLN 99 1HG GLN 99 -4.250 -8.670 -25.663 822 HE21 GLN 99 1HE2 GLN 99 -2.587 -9.639 -26.825 823 HE22 GLN 99 2HE2 GLN 99 -1.896 -8.939 -28.248 824 H GLY 100 H GLY 100 -5.812 -8.928 -28.788 825 HA2 GLY 100 2HA GLY 100 -6.341 -7.214 -31.046 826 HA3 GLY 100 1HA GLY 100 -4.617 -7.478 -30.794 827 HA PRO 101 HA PRO 101 -5.094 -11.475 -32.823 828 HB2 PRO 101 2HB PRO 101 -2.885 -12.685 -31.298 829 HB3 PRO 101 1HB PRO 101 -2.869 -12.078 -32.964 830 HG2 PRO 101 2HG PRO 101 -1.480 -10.881 -30.947 831 HG3 PRO 101 1HG PRO 101 -2.100 -9.991 -32.358 832 HD2 PRO 101 2HD PRO 101 -3.310 -10.229 -29.597 833 HD3 PRO 101 1HD PRO 101 -3.094 -8.779 -30.612 834 H SER 102 H SER 102 -4.704 -14.009 -32.018 835 HA SER 102 HA SER 102 -5.607 -15.818 -30.997 836 HB2 SER 102 2HB SER 102 -5.971 -14.011 -28.566 837 HB3 SER 102 1HB SER 102 -6.021 -15.774 -28.568 838 HG SER 102 HG SER 102 -3.936 -14.342 -28.148 839 H ALA 103 H ALA 103 -7.218 -13.778 -32.431 840 HA ALA 103 HA ALA 103 -9.885 -14.798 -31.968 841 HB1 ALA 103 1HB ALA 103 -9.332 -11.825 -31.607 842 HB2 ALA 103 2HB ALA 103 -9.790 -12.948 -30.326 843 HB3 ALA 103 3HB ALA 103 -10.929 -12.583 -31.624 844 H GLY 104 H GLY 104 -11.437 -13.652 -33.600 845 HA2 GLY 104 2HA GLY 104 -10.297 -13.791 -36.242 846 HA3 GLY 104 1HA GLY 104 -11.962 -13.382 -35.837 847 H LEU 105 H LEU 105 -11.789 -11.186 -34.331 848 HA LEU 105 HA LEU 105 -10.490 -9.129 -36.022 849 HB2 LEU 105 2HB LEU 105 -12.266 -7.577 -35.015 850 HB3 LEU 105 1HB LEU 105 -12.815 -8.767 -36.174 851 HG LEU 105 HG LEU 105 -13.601 -10.194 -34.188 852 HD11 LEU 105 1HD1 LEU 105 -13.206 -7.642 -32.598 853 HD12 LEU 105 2HD1 LEU 105 -12.339 -9.160 -32.366 854 HD13 LEU 105 3HD1 LEU 105 -14.070 -9.082 -32.053 855 HD21 LEU 105 1HD2 LEU 105 -15.163 -8.949 -35.602 856 HD22 LEU 105 2HD2 LEU 105 -14.954 -7.510 -34.600 857 HD23 LEU 105 3HD2 LEU 105 -15.708 -8.957 -33.924 858 H VAL 106 H VAL 106 -10.280 -6.994 -34.525 859 HA VAL 106 HA VAL 106 -8.564 -7.697 -32.247 860 HB VAL 106 HB VAL 106 -9.073 -5.001 -33.609 861 HG11 VAL 106 1HG1 VAL 106 -8.433 -4.677 -31.249 862 HG12 VAL 106 2HG1 VAL 106 -7.141 -4.143 -32.323 863 HG13 VAL 106 3HG1 VAL 106 -7.008 -5.690 -31.481 864 HG21 VAL 106 1HG2 VAL 106 -7.875 -6.590 -35.068 865 HG22 VAL 106 2HG2 VAL 106 -6.668 -6.861 -33.809 866 HG23 VAL 106 3HG2 VAL 106 -6.806 -5.275 -34.574 867 HA PRO 107 HA PRO 107 -12.405 -6.731 -29.850 868 HB2 PRO 107 2HB PRO 107 -11.330 -8.486 -27.734 869 HB3 PRO 107 1HB PRO 107 -12.717 -8.763 -28.807 870 HG2 PRO 107 2HG PRO 107 -10.445 -10.228 -28.986 871 HG3 PRO 107 1HG PRO 107 -11.451 -9.866 -30.408 872 HD2 PRO 107 2HD PRO 107 -8.944 -8.434 -29.465 873 HD3 PRO 107 1HD PRO 107 -9.343 -9.055 -31.090 874 H ARG 108 H ARG 108 -9.720 -5.232 -29.729 875 HA ARG 108 HA ARG 108 -9.441 -4.278 -27.050 876 HB2 ARG 108 2HB ARG 108 -7.566 -4.100 -28.569 877 HB3 ARG 108 1HB ARG 108 -8.524 -3.225 -29.754 878 HG2 ARG 108 2HG ARG 108 -8.636 -1.285 -28.207 879 HG3 ARG 108 1HG ARG 108 -7.640 -2.174 -27.048 880 HD2 ARG 108 2HD ARG 108 -6.397 -0.493 -28.488 881 HD3 ARG 108 1HD ARG 108 -5.739 -2.130 -28.509 882 HE ARG 108 HE ARG 108 -6.196 -2.262 -30.737 883 HH11 ARG 108 1HH1 ARG 108 -8.111 0.452 -29.519 884 HH12 ARG 108 2HH1 ARG 108 -8.619 0.936 -31.106 885 HH21 ARG 108 1HH2 ARG 108 -6.926 -1.620 -32.785 886 HH22 ARG 108 2HH2 ARG 108 -7.956 -0.230 -32.937 887 H GLY 109 H GLY 109 -11.477 -3.722 -26.320 888 HA2 GLY 109 2HA GLY 109 -12.469 -1.079 -27.133 889 HA3 GLY 109 1HA GLY 109 -13.605 -2.425 -27.234 890 H SER 110 H SER 110 -12.276 -0.061 -25.207 891 HA SER 110 HA SER 110 -12.535 -1.419 -22.682 892 HB2 SER 110 2HB SER 110 -12.246 1.567 -23.245 893 HB3 SER 110 1HB SER 110 -11.973 0.763 -21.696 894 HG SER 110 HG SER 110 -10.034 1.157 -22.850 895 H GLY 111 H GLY 111 -14.676 -2.195 -22.777 896 HA2 GLY 111 2HA GLY 111 -16.635 -0.503 -21.545 897 HA3 GLY 111 1HA GLY 111 -17.059 -0.878 -23.215 898 H GLY 112 H GLY 112 -16.590 -3.352 -23.722 899 HA2 GLY 112 2HA GLY 112 -16.855 -5.275 -21.654 900 HA3 GLY 112 1HA GLY 112 -18.438 -4.933 -22.349 901 H ILE 113 H ILE 113 -16.764 -7.373 -22.359 902 HA ILE 113 HA ILE 113 -16.680 -7.939 -25.272 903 HB ILE 113 HB ILE 113 -15.580 -9.731 -23.024 904 HG12 ILE 113 2HG1 ILE 113 -13.245 -8.952 -24.021 905 HG13 ILE 113 1HG1 ILE 113 -14.134 -7.540 -24.570 906 HG21 ILE 113 1HG2 ILE 113 -15.103 -9.810 -26.036 907 HG22 ILE 113 2HG2 ILE 113 -16.119 -10.922 -25.113 908 HG23 ILE 113 3HG2 ILE 113 -14.378 -10.897 -24.846 909 HD11 ILE 113 1HD1 ILE 113 -14.719 -7.020 -22.235 910 HD12 ILE 113 2HD1 ILE 113 -12.974 -7.111 -22.480 911 HD13 ILE 113 3HD1 ILE 113 -13.824 -8.447 -21.703 912 H GLU 114 H GLU 114 -18.048 -9.702 -26.031 913 HA GLU 114 HA GLU 114 -20.369 -10.272 -24.442 914 HB2 GLU 114 2HB GLU 114 -20.918 -11.916 -26.388 915 HB3 GLU 114 1HB GLU 114 -20.902 -10.194 -26.712 916 HG2 GLU 114 2HG GLU 114 -19.900 -11.267 -28.571 917 HG3 GLU 114 1HG GLU 114 -18.613 -10.452 -27.697 918 H GLY 115 H GLY 115 -20.932 -12.057 -23.275 919 HA2 GLY 115 2HA GLY 115 -20.819 -14.318 -22.583 920 HA3 GLY 115 1HA GLY 115 -19.173 -14.431 -23.183 921 H SER 428 H SER 428 -19.520 -15.485 -20.814 922 HA SER 428 HA SER 428 -19.314 -13.757 -18.536 923 HB2 SER 428 2HB SER 428 -20.258 -16.049 -18.398 924 HB3 SER 428 1HB SER 428 -18.672 -16.730 -18.758 925 HG SER 428 HG SER 428 -19.525 -15.316 -16.460 926 H ILE 429 H ILE 429 -17.053 -14.765 -20.861 927 HA ILE 429 HA ILE 429 -14.577 -14.603 -19.638 928 HB ILE 429 HB ILE 429 -14.826 -15.115 -22.012 929 HG12 ILE 429 2HG1 ILE 429 -12.664 -13.785 -21.097 930 HG13 ILE 429 1HG1 ILE 429 -12.814 -14.242 -22.783 931 HG21 ILE 429 1HG2 ILE 429 -16.700 -13.728 -22.603 932 HG22 ILE 429 2HG2 ILE 429 -15.369 -13.375 -23.702 933 HG23 ILE 429 3HG2 ILE 429 -15.749 -12.256 -22.394 934 HD11 ILE 429 1HD1 ILE 429 -13.411 -11.499 -21.656 935 HD12 ILE 429 2HD1 ILE 429 -13.470 -11.964 -23.359 936 HD13 ILE 429 3HD1 ILE 429 -11.935 -11.982 -22.493 937 H ASP 430 H ASP 430 -16.825 -12.007 -20.490 938 HA ASP 430 HA ASP 430 -15.266 -9.747 -19.997 939 HB2 ASP 430 2HB ASP 430 -17.486 -9.709 -21.104 940 HB3 ASP 430 1HB ASP 430 -18.265 -10.117 -19.577 941 H GLU 431 H GLU 431 -17.268 -11.707 -17.820 942 HA GLU 431 HA GLU 431 -17.069 -10.104 -15.501 943 HB2 GLU 431 2HB GLU 431 -17.662 -13.086 -15.785 944 HB3 GLU 431 1HB GLU 431 -17.829 -12.173 -14.286 945 HG2 GLU 431 2HG GLU 431 -19.538 -10.730 -15.363 946 HG3 GLU 431 1HG GLU 431 -19.384 -11.683 -16.841 947 H THR 432 H THR 432 -15.340 -13.139 -16.390 948 HA THR 432 HA THR 432 -13.777 -13.225 -14.039 949 HB THR 432 HB THR 432 -14.179 -15.246 -15.392 950 HG1 THR 432 HG1 THR 432 -11.507 -15.428 -15.553 951 HG21 THR 432 1HG2 THR 432 -12.207 -14.081 -17.389 952 HG22 THR 432 2HG2 THR 432 -13.934 -14.317 -17.667 953 HG23 THR 432 3HG2 THR 432 -12.882 -15.713 -17.430 954 H VAL 433 H VAL 433 -13.039 -11.884 -17.269 955 HA VAL 433 HA VAL 433 -10.334 -11.175 -16.725 956 HB VAL 433 HB VAL 433 -12.269 -10.043 -18.805 957 HG11 VAL 433 1HG1 VAL 433 -10.497 -8.395 -18.405 958 HG12 VAL 433 2HG1 VAL 433 -10.274 -9.148 -19.983 959 HG13 VAL 433 3HG1 VAL 433 -9.257 -9.633 -18.624 960 HG21 VAL 433 1HG2 VAL 433 -11.792 -12.433 -19.123 961 HG22 VAL 433 2HG2 VAL 433 -10.059 -12.108 -19.100 962 HG23 VAL 433 3HG2 VAL 433 -11.057 -11.476 -20.409 963 H ALA 434 H ALA 434 -13.438 -9.498 -16.325 964 HA ALA 434 HA ALA 434 -12.473 -6.943 -15.605 965 HB1 ALA 434 1HB ALA 434 -14.821 -7.339 -16.213 966 HB2 ALA 434 2HB ALA 434 -14.706 -6.559 -14.635 967 HB3 ALA 434 3HB ALA 434 -15.061 -8.287 -14.746 968 H ARG 435 H ARG 435 -13.024 -9.896 -13.705 969 HA ARG 435 HA ARG 435 -12.660 -8.723 -11.128 970 HB2 ARG 435 2HB ARG 435 -12.206 -11.640 -11.909 971 HB3 ARG 435 1HB ARG 435 -12.434 -11.022 -10.278 972 HG2 ARG 435 2HG ARG 435 -14.492 -11.143 -12.491 973 HG3 ARG 435 1HG ARG 435 -14.473 -12.083 -11.004 974 HD2 ARG 435 2HD ARG 435 -14.891 -10.049 -9.688 975 HD3 ARG 435 1HD ARG 435 -14.823 -9.065 -11.154 976 HE ARG 435 HE ARG 435 -16.834 -11.197 -10.983 977 HH11 ARG 435 1HH1 ARG 435 -16.176 -7.723 -10.920 978 HH12 ARG 435 2HH1 ARG 435 -17.845 -7.293 -11.161 979 HH21 ARG 435 1HH2 ARG 435 -18.990 -10.611 -11.303 980 HH22 ARG 435 2HH2 ARG 435 -19.432 -8.927 -11.374 981 H TYR 436 H TYR 436 -10.475 -10.515 -13.332 982 HA TYR 436 HA TYR 436 -8.132 -10.327 -11.752 983 HB2 TYR 436 2HB TYR 436 -8.441 -10.642 -14.764 984 HB3 TYR 436 1HB TYR 436 -6.893 -10.749 -13.930 985 HD1 TYR 436 HD1 TYR 436 -7.358 -12.366 -11.591 986 HD2 TYR 436 HD2 TYR 436 -9.061 -12.794 -15.489 987 HE1 TYR 436 HE1 TYR 436 -7.670 -14.771 -11.194 988 HE2 TYR 436 HE2 TYR 436 -9.376 -15.193 -15.083 989 HH TYR 436 HH TYR 436 -8.479 -16.969 -13.686 990 H LYS 437 H LYS 437 -9.546 -8.177 -14.144 991 HA LYS 437 HA LYS 437 -7.355 -6.350 -14.387 992 HB2 LYS 437 2HB LYS 437 -9.008 -6.608 -16.187 993 HB3 LYS 437 1HB LYS 437 -10.308 -6.082 -15.126 994 HG2 LYS 437 2HG LYS 437 -9.314 -3.819 -15.022 995 HG3 LYS 437 1HG LYS 437 -7.995 -4.343 -16.077 996 HD2 LYS 437 2HD LYS 437 -9.536 -4.706 -17.932 997 HD3 LYS 437 1HD LYS 437 -10.934 -4.430 -16.889 998 HE2 LYS 437 2HE LYS 437 -8.843 -2.325 -17.539 999 HE3 LYS 437 1HE LYS 437 -10.390 -2.493 -18.367 1000 HZ1 LYS 437 1HZ LYS 437 -11.547 -1.985 -16.368 1001 HZ2 LYS 437 2HZ LYS 437 -10.360 -0.801 -16.574 1002 HZ3 LYS 437 3HZ LYS 437 -10.135 -2.041 -15.451 1003 H ALA 438 H ALA 438 -10.247 -6.553 -12.366 1004 HA ALA 438 HA ALA 438 -10.072 -4.014 -11.121 1005 HB1 ALA 438 1HB ALA 438 -11.519 -4.969 -9.368 1006 HB2 ALA 438 2HB ALA 438 -11.247 -6.590 -10.017 1007 HB3 ALA 438 3HB ALA 438 -12.107 -5.388 -10.979 1008 H GLN 439 H GLN 439 -8.991 -7.247 -10.063 1009 HA GLN 439 HA GLN 439 -7.729 -6.432 -7.678 1010 HB2 GLN 439 2HB GLN 439 -7.165 -8.911 -9.363 1011 HB3 GLN 439 1HB GLN 439 -6.723 -8.694 -7.674 1012 HG2 GLN 439 2HG GLN 439 -9.530 -8.894 -8.793 1013 HG3 GLN 439 1HG GLN 439 -8.684 -10.118 -7.856 1014 HE21 GLN 439 1HE2 GLN 439 -10.314 -7.033 -7.739 1015 HE22 GLN 439 2HE2 GLN 439 -10.518 -6.985 -6.024 1016 H PHE 440 H PHE 440 -6.572 -6.737 -11.006 1017 HA PHE 440 HA PHE 440 -3.813 -6.398 -10.510 1018 HB2 PHE 440 2HB PHE 440 -4.656 -7.251 -12.682 1019 HB3 PHE 440 1HB PHE 440 -5.355 -5.674 -13.037 1020 HD1 PHE 440 HD1 PHE 440 -2.057 -7.231 -12.113 1021 HD2 PHE 440 HD2 PHE 440 -4.054 -4.175 -14.354 1022 HE1 PHE 440 HE1 PHE 440 0.086 -6.534 -13.090 1023 HE2 PHE 440 HE2 PHE 440 -1.898 -3.491 -15.331 1024 HZ PHE 440 HZ PHE 440 0.173 -4.667 -14.695 1025 H THR 441 H THR 441 -6.199 -4.011 -11.765 1026 HA THR 441 HA THR 441 -4.446 -1.826 -11.829 1027 HB THR 441 HB THR 441 -7.493 -1.769 -11.620 1028 HG1 THR 441 HG1 THR 441 -5.721 -2.231 -13.763 1029 HG21 THR 441 1HG2 THR 441 -7.357 0.386 -12.820 1030 HG22 THR 441 2HG2 THR 441 -5.594 0.317 -12.770 1031 HG23 THR 441 3HG2 THR 441 -6.512 0.479 -11.272 1032 H GLN 442 H GLN 442 -6.699 -2.908 -9.328 1033 HA GLN 442 HA GLN 442 -6.559 -0.600 -7.662 1034 HB2 GLN 442 2HB GLN 442 -7.503 -3.447 -7.165 1035 HB3 GLN 442 1HB GLN 442 -7.604 -2.188 -5.936 1036 HG2 GLN 442 2HG GLN 442 -9.126 -0.884 -7.282 1037 HG3 GLN 442 1HG GLN 442 -8.904 -1.952 -8.668 1038 HE21 GLN 442 1HE2 GLN 442 -9.089 -4.442 -7.211 1039 HE22 GLN 442 2HE2 GLN 442 -10.733 -4.611 -6.713 1040 H LEU 443 H LEU 443 -5.018 -3.867 -7.365 1041 HA LEU 443 HA LEU 443 -3.396 -3.084 -5.116 1042 HB2 LEU 443 2HB LEU 443 -3.354 -5.496 -6.954 1043 HB3 LEU 443 1HB LEU 443 -2.089 -5.255 -5.769 1044 HG LEU 443 HG LEU 443 -3.735 -5.432 -3.925 1045 HD11 LEU 443 1HD1 LEU 443 -5.831 -5.987 -6.042 1046 HD12 LEU 443 2HD1 LEU 443 -5.738 -4.548 -5.026 1047 HD13 LEU 443 3HD1 LEU 443 -6.048 -6.120 -4.295 1048 HD21 LEU 443 1HD2 LEU 443 -2.593 -7.461 -4.704 1049 HD22 LEU 443 2HD2 LEU 443 -3.884 -7.765 -5.869 1050 HD23 LEU 443 3HD2 LEU 443 -4.221 -7.835 -4.137 1051 H ASP 444 H ASP 444 -3.072 -2.652 -8.534 1052 HA ASP 444 HA ASP 444 -0.194 -2.360 -8.642 1053 HB2 ASP 444 2HB ASP 444 -1.295 -3.090 -10.665 1054 HB3 ASP 444 1HB ASP 444 -2.402 -1.724 -10.646 1055 H THR 445 H THR 445 -2.983 -0.098 -8.620 1056 HA THR 445 HA THR 445 -1.330 2.250 -8.611 1057 HB THR 445 HB THR 445 -3.659 2.414 -9.447 1058 HG1 THR 445 HG1 THR 445 -2.412 4.139 -7.942 1059 HG21 THR 445 1HG2 THR 445 -4.799 0.904 -7.838 1060 HG22 THR 445 2HG2 THR 445 -5.585 2.480 -7.932 1061 HG23 THR 445 3HG2 THR 445 -4.546 2.091 -6.558 1062 H MET 446 H MET 446 -2.847 0.205 -6.153 1063 HA MET 446 HA MET 446 -2.160 1.632 -3.842 1064 HB2 MET 446 2HB MET 446 -3.636 -0.407 -3.848 1065 HB3 MET 446 1HB MET 446 -2.225 -1.410 -4.162 1066 HG2 MET 446 2HG MET 446 -1.243 -0.666 -2.013 1067 HG3 MET 446 1HG MET 446 -2.687 0.298 -1.702 1068 HE1 MET 446 1HE MET 446 -3.123 -0.780 0.627 1069 HE2 MET 446 2HE MET 446 -1.639 -1.725 0.470 1070 HE3 MET 446 3HE MET 446 -3.147 -2.516 0.928 1071 H MET 447 H MET 447 -0.347 -0.726 -5.807 1072 HA MET 447 HA MET 447 1.948 -0.897 -4.172 1073 HB2 MET 447 2HB MET 447 1.546 -2.642 -5.801 1074 HB3 MET 447 1HB MET 447 1.644 -1.501 -7.135 1075 HG2 MET 447 2HG MET 447 4.022 -1.162 -6.743 1076 HG3 MET 447 1HG MET 447 3.964 -2.147 -5.282 1077 HE1 MET 447 1HE MET 447 3.206 -5.672 -6.729 1078 HE2 MET 447 2HE MET 447 2.131 -4.470 -6.022 1079 HE3 MET 447 3HE MET 447 3.706 -4.798 -5.290 1080 H SER 448 H SER 448 1.278 1.088 -7.067 1081 HA SER 448 HA SER 448 3.798 2.288 -7.341 1082 HB2 SER 448 2HB SER 448 1.098 3.528 -8.025 1083 HB3 SER 448 1HB SER 448 2.664 3.968 -8.716 1084 HG SER 448 HG SER 448 2.187 1.306 -8.965 1085 H LYS 449 H LYS 449 0.946 3.243 -5.470 1086 HA LYS 449 HA LYS 449 2.020 5.655 -4.408 1087 HB2 LYS 449 2HB LYS 449 -0.314 3.935 -3.468 1088 HB3 LYS 449 1HB LYS 449 0.109 5.489 -2.750 1089 HG2 LYS 449 2HG LYS 449 -0.208 6.563 -4.998 1090 HG3 LYS 449 1HG LYS 449 -0.759 5.006 -5.617 1091 HD2 LYS 449 2HD LYS 449 -2.706 6.371 -5.103 1092 HD3 LYS 449 1HD LYS 449 -2.627 5.042 -3.948 1093 HE2 LYS 449 2HE LYS 449 -1.748 6.526 -2.226 1094 HE3 LYS 449 1HE LYS 449 -1.636 7.859 -3.379 1095 HZ1 LYS 449 1HZ LYS 449 -4.039 7.839 -3.596 1096 HZ2 LYS 449 2HZ LYS 449 -3.597 8.054 -1.981 1097 HZ3 LYS 449 3HZ LYS 449 -4.165 6.551 -2.506 1098 H LEU 450 H LEU 450 1.804 2.307 -3.087 1099 HA LEU 450 HA LEU 450 2.884 3.093 -0.556 1100 HB2 LEU 450 2HB LEU 450 2.698 0.835 0.181 1101 HB3 LEU 450 1HB LEU 450 1.267 1.240 -0.725 1102 HG LEU 450 HG LEU 450 2.368 -0.094 -2.681 1103 HD11 LEU 450 1HD1 LEU 450 4.013 -1.259 -0.415 1104 HD12 LEU 450 2HD1 LEU 450 4.629 -0.376 -1.812 1105 HD13 LEU 450 3HD1 LEU 450 3.861 -1.943 -2.037 1106 HD21 LEU 450 1HD2 LEU 450 1.419 -2.208 -1.869 1107 HD22 LEU 450 2HD2 LEU 450 0.373 -0.844 -1.493 1108 HD23 LEU 450 3HD2 LEU 450 1.367 -1.563 -0.224 1109 H ASN 451 H ASN 451 4.270 2.188 -3.526 1110 HA ASN 451 HA ASN 451 6.878 1.418 -2.575 1111 HB2 ASN 451 2HB ASN 451 6.126 0.629 -4.768 1112 HB3 ASN 451 1HB ASN 451 5.878 2.275 -5.341 1113 HD21 ASN 451 1HD2 ASN 451 7.712 3.526 -5.899 1114 HD22 ASN 451 2HD2 ASN 451 9.254 2.804 -6.176 1115 H ASN 452 H ASN 452 5.424 4.337 -4.030 1116 HA ASN 452 HA ASN 452 7.683 6.041 -3.838 1117 HB2 ASN 452 2HB ASN 452 5.747 6.532 -5.326 1118 HB3 ASN 452 1HB ASN 452 4.722 6.779 -3.916 1119 HD21 ASN 452 1HD2 ASN 452 4.243 8.919 -4.466 1120 HD22 ASN 452 2HD2 ASN 452 5.398 10.200 -4.374 1121 H THR 453 H THR 453 5.020 5.318 -1.603 1122 HA THR 453 HA THR 453 5.595 7.343 0.295 1123 HB THR 453 HB THR 453 4.231 5.967 1.918 1124 HG1 THR 453 HG1 THR 453 3.938 3.954 1.483 1125 HG21 THR 453 1HG2 THR 453 2.906 6.326 -0.797 1126 HG22 THR 453 2HG2 THR 453 3.070 7.577 0.433 1127 HG23 THR 453 3HG2 THR 453 2.072 6.157 0.748 1128 H SER 454 H SER 454 6.244 3.771 0.438 1129 HA SER 454 HA SER 454 7.781 3.721 2.729 1130 HB2 SER 454 2HB SER 454 8.754 1.581 1.886 1131 HB3 SER 454 1HB SER 454 7.004 1.655 1.668 1132 HG SER 454 HG SER 454 7.242 1.752 -0.432 1133 H SER 455 H SER 455 8.793 4.575 -0.539 1134 HA SER 455 HA SER 455 11.559 4.805 -0.202 1135 HB2 SER 455 2HB SER 455 10.509 5.024 -2.403 1136 HB3 SER 455 1HB SER 455 9.675 6.495 -1.904 1137 HG SER 455 HG SER 455 12.493 6.287 -1.825 1138 H TYR 456 H TYR 456 9.187 7.574 0.008 1139 HA TYR 456 HA TYR 456 11.206 9.211 1.245 1140 HB2 TYR 456 2HB TYR 456 9.491 10.984 1.445 1141 HB3 TYR 456 1HB TYR 456 9.677 10.355 -0.176 1142 HD1 TYR 456 HD1 TYR 456 7.456 9.703 2.833 1143 HD2 TYR 456 HD2 TYR 456 7.705 10.203 -1.406 1144 HE1 TYR 456 HE1 TYR 456 5.011 9.592 2.668 1145 HE2 TYR 456 HE2 TYR 456 5.257 10.078 -1.560 1146 HH TYR 456 HH TYR 456 3.369 9.298 -0.332 1147 H LEU 457 H LEU 457 8.950 7.026 2.576 1148 HA LEU 457 HA LEU 457 8.698 8.164 5.191 1149 HB2 LEU 457 2HB LEU 457 8.172 5.325 4.208 1150 HB3 LEU 457 1HB LEU 457 7.862 5.854 5.852 1151 HG LEU 457 HG LEU 457 6.419 6.794 3.343 1152 HD11 LEU 457 1HD1 LEU 457 5.727 4.571 4.088 1153 HD12 LEU 457 2HD1 LEU 457 4.438 5.738 4.364 1154 HD13 LEU 457 3HD1 LEU 457 5.425 5.178 5.719 1155 HD21 LEU 457 1HD2 LEU 457 4.995 8.139 4.824 1156 HD22 LEU 457 2HD2 LEU 457 6.668 8.689 4.832 1157 HD23 LEU 457 3HD2 LEU 457 6.046 7.747 6.188 1158 H THR 458 H THR 458 10.790 5.662 3.689 1159 HA THR 458 HA THR 458 12.146 5.007 6.134 1160 HB THR 458 HB THR 458 12.012 3.408 4.167 1161 HG1 THR 458 HG1 THR 458 13.693 2.449 5.040 1162 HG21 THR 458 1HG2 THR 458 12.655 4.923 2.319 1163 HG22 THR 458 2HG2 THR 458 13.737 3.532 2.407 1164 HG23 THR 458 3HG2 THR 458 14.264 5.101 3.019 1165 H GLN 459 H GLN 459 12.742 7.261 3.481 1166 HA GLN 459 HA GLN 459 15.311 8.179 4.290 1167 HB2 GLN 459 2HB GLN 459 13.099 9.672 2.818 1168 HB3 GLN 459 1HB GLN 459 14.778 10.198 2.915 1169 HG2 GLN 459 2HG GLN 459 15.494 8.225 1.652 1170 HG3 GLN 459 1HG GLN 459 13.839 7.625 1.607 1171 HE21 GLN 459 1HE2 GLN 459 12.684 10.305 1.083 1172 HE22 GLN 459 2HE2 GLN 459 13.047 10.647 -0.568 1173 H GLN 460 H GLN 460 12.021 9.246 5.080 1174 HA GLN 460 HA GLN 460 12.739 11.353 6.861 1175 HB2 GLN 460 2HB GLN 460 10.539 11.278 5.727 1176 HB3 GLN 460 1HB GLN 460 10.121 9.807 6.597 1177 HG2 GLN 460 2HG GLN 460 8.986 11.722 7.592 1178 HG3 GLN 460 1HG GLN 460 10.155 11.061 8.733 1179 HE21 GLN 460 1HE2 GLN 460 11.968 12.316 9.294 1180 HE22 GLN 460 2HE2 GLN 460 12.090 13.995 8.904 1181 H PHE 461 H PHE 461 12.218 7.898 7.245 1182 HA PHE 461 HA PHE 461 11.980 7.766 10.063 1183 HB2 PHE 461 2HB PHE 461 11.356 5.832 8.738 1184 HB3 PHE 461 1HB PHE 461 12.954 5.723 8.019 1185 HD1 PHE 461 HD1 PHE 461 11.782 5.970 11.612 1186 HD2 PHE 461 HD2 PHE 461 13.936 3.692 8.693 1187 HE1 PHE 461 HE1 PHE 461 12.450 4.358 13.342 1188 HE2 PHE 461 HE2 PHE 461 14.592 2.087 10.441 1189 HZ PHE 461 HZ PHE 461 13.852 2.421 12.766 1190 H THR 462 H THR 462 14.795 7.198 7.927 1191 HA THR 462 HA THR 462 16.695 6.879 9.974 1192 HB THR 462 HB THR 462 17.202 7.723 7.084 1193 HG1 THR 462 HG1 THR 462 16.867 5.148 8.261 1194 HG21 THR 462 1HG2 THR 462 19.379 6.578 7.358 1195 HG22 THR 462 2HG2 THR 462 19.005 6.251 9.052 1196 HG23 THR 462 3HG2 THR 462 19.226 7.913 8.502 1197 H ALA 463 H ALA 463 15.538 9.783 8.282 1198 HA ALA 463 HA ALA 463 17.581 11.569 9.228 1199 HB1 ALA 463 1HB ALA 463 16.096 13.356 8.391 1200 HB2 ALA 463 2HB ALA 463 14.796 12.177 8.175 1201 HB3 ALA 463 3HB ALA 463 16.269 12.054 7.211 1202 H MET 464 H MET 464 14.206 10.971 10.217 1203 HA MET 464 HA MET 464 14.071 12.852 12.339 1204 HB2 MET 464 2HB MET 464 12.067 11.926 11.200 1205 HB3 MET 464 1HB MET 464 12.413 10.335 11.852 1206 HG2 MET 464 2HG MET 464 12.028 11.212 14.138 1207 HG3 MET 464 1HG MET 464 11.629 12.787 13.452 1208 HE1 MET 464 1HE MET 464 9.957 11.883 10.793 1209 HE2 MET 464 2HE MET 464 9.460 13.191 11.869 1210 HE3 MET 464 3HE MET 464 8.321 11.913 11.450 1211 H ASN 465 H ASN 465 15.004 9.476 12.151 1212 HA ASN 465 HA ASN 465 15.211 9.012 14.996 1213 HB2 ASN 465 2HB ASN 465 14.746 7.206 13.240 1214 HB3 ASN 465 1HB ASN 465 16.418 7.355 12.718 1215 HD21 ASN 465 1HD2 ASN 465 15.012 5.041 13.797 1216 HD22 ASN 465 2HD2 ASN 465 15.885 4.539 15.200 1217 H LYS 466 H LYS 466 17.751 8.933 12.431 1218 HA LYS 466 HA LYS 466 19.587 10.384 14.241 1219 HB2 LYS 466 2HB LYS 466 21.490 9.065 13.240 1220 HB3 LYS 466 1HB LYS 466 20.407 8.141 14.260 1221 HG2 LYS 466 2HG LYS 466 20.092 8.095 11.257 1222 HG3 LYS 466 1HG LYS 466 21.298 7.083 12.040 1223 HD2 LYS 466 2HD LYS 466 18.348 6.991 12.779 1224 HD3 LYS 466 1HD LYS 466 19.043 5.990 11.509 1225 HE2 LYS 466 2HE LYS 466 18.888 4.677 13.540 1226 HE3 LYS 466 1HE LYS 466 20.590 4.978 13.201 1227 HZ1 LYS 466 1HZ LYS 466 18.968 6.522 15.156 1228 HZ2 LYS 466 2HZ LYS 466 20.635 6.647 14.908 1229 HZ3 LYS 466 3HZ LYS 466 19.981 5.235 15.563 1230 H SER 467 H SER 467 18.589 12.260 13.006 1231 HA SER 467 HA SER 467 19.222 13.267 10.645 1232 HB2 SER 467 2HB SER 467 19.890 14.541 13.329 1233 HB3 SER 467 1HB SER 467 19.815 15.434 11.808 1234 HG SER 467 HG SER 467 17.644 13.873 12.747 Start of MODEL 14 1 H1 MET 1 1H MET 1 -1.908 21.975 20.982 2 H2 MET 1 2H MET 1 -0.615 21.772 22.049 3 H3 MET 1 3H MET 1 -1.525 20.435 21.559 4 HA MET 1 HA MET 1 0.089 22.131 19.768 5 HB2 MET 1 2HB MET 1 1.648 20.129 19.661 6 HB3 MET 1 1HB MET 1 1.646 20.980 21.195 7 HG2 MET 1 2HG MET 1 0.216 19.220 22.172 8 HG3 MET 1 1HG MET 1 0.233 18.359 20.629 9 HE1 MET 1 1HE MET 1 1.022 16.914 23.321 10 HE2 MET 1 2HE MET 1 2.526 16.096 22.896 11 HE3 MET 1 3HE MET 1 1.173 16.089 21.766 12 H THR 2 H THR 2 -1.525 22.259 18.225 13 HA THR 2 HA THR 2 -3.296 20.193 17.479 14 HB THR 2 HB THR 2 -3.832 21.659 15.496 15 HG1 THR 2 HG1 THR 2 -2.029 22.709 14.925 16 HG21 THR 2 1HG2 THR 2 -4.649 23.623 16.769 17 HG22 THR 2 2HG2 THR 2 -3.645 23.154 18.143 18 HG23 THR 2 3HG2 THR 2 -4.977 22.116 17.630 19 H SER 3 H SER 3 -0.362 21.425 15.861 20 HA SER 3 HA SER 3 -0.386 19.768 13.588 21 HB2 SER 3 2HB SER 3 2.070 20.980 14.928 22 HB3 SER 3 1HB SER 3 1.875 20.580 13.219 23 HG SER 3 HG SER 3 0.058 22.163 13.330 24 H THR 4 H THR 4 1.108 19.400 16.769 25 HA THR 4 HA THR 4 2.596 17.040 16.131 26 HB THR 4 HB THR 4 1.965 18.268 18.841 27 HG1 THR 4 HG1 THR 4 4.447 18.462 17.513 28 HG21 THR 4 1HG2 THR 4 4.087 16.222 18.077 29 HG22 THR 4 2HG2 THR 4 2.679 15.917 19.095 30 HG23 THR 4 3HG2 THR 4 3.946 17.012 19.648 31 H VAL 5 H VAL 5 -0.591 17.615 17.698 32 HA VAL 5 HA VAL 5 -0.813 14.937 18.698 33 HB VAL 5 HB VAL 5 -2.096 16.856 19.708 34 HG11 VAL 5 1HG1 VAL 5 -3.922 16.605 17.295 35 HG12 VAL 5 2HG1 VAL 5 -2.893 17.981 17.685 36 HG13 VAL 5 3HG1 VAL 5 -4.245 17.572 18.740 37 HG21 VAL 5 1HG2 VAL 5 -2.681 14.537 20.259 38 HG22 VAL 5 2HG2 VAL 5 -3.776 14.456 18.876 39 HG23 VAL 5 3HG2 VAL 5 -4.133 15.541 20.222 40 H GLU 6 H GLU 6 -2.018 16.589 15.746 41 HA GLU 6 HA GLU 6 -3.429 14.324 14.699 42 HB2 GLU 6 2HB GLU 6 -3.466 15.545 12.564 43 HB3 GLU 6 1HB GLU 6 -3.882 16.612 13.901 44 HG2 GLU 6 2HG GLU 6 -1.587 17.534 13.881 45 HG3 GLU 6 1HG GLU 6 -1.181 16.472 12.535 46 H PHE 7 H PHE 7 -0.099 15.520 14.340 47 HA PHE 7 HA PHE 7 0.994 13.648 12.599 48 HB2 PHE 7 2HB PHE 7 2.236 15.568 13.376 49 HB3 PHE 7 1HB PHE 7 2.104 15.072 15.047 50 HD1 PHE 7 HD1 PHE 7 3.952 14.595 11.891 51 HD2 PHE 7 HD2 PHE 7 3.620 13.381 15.981 52 HE1 PHE 7 HE1 PHE 7 6.211 13.611 11.805 53 HE2 PHE 7 HE2 PHE 7 5.871 12.404 15.866 54 HZ PHE 7 HZ PHE 7 7.167 12.528 13.782 55 H ILE 8 H ILE 8 0.626 13.366 16.157 56 HA ILE 8 HA ILE 8 1.797 10.831 16.516 57 HB ILE 8 HB ILE 8 -0.250 12.336 18.211 58 HG12 ILE 8 2HG1 ILE 8 2.755 11.992 18.638 59 HG13 ILE 8 1HG1 ILE 8 2.021 13.404 17.891 60 HG21 ILE 8 1HG2 ILE 8 0.366 10.838 20.095 61 HG22 ILE 8 2HG2 ILE 8 1.332 9.860 18.991 62 HG23 ILE 8 3HG2 ILE 8 -0.416 9.958 18.778 63 HD11 ILE 8 1HD1 ILE 8 1.602 12.471 20.723 64 HD12 ILE 8 2HD1 ILE 8 0.807 13.859 19.972 65 HD13 ILE 8 3HD1 ILE 8 2.557 13.853 20.184 66 H ASN 9 H ASN 9 -1.681 11.721 16.441 67 HA ASN 9 HA ASN 9 -2.721 9.145 16.745 68 HB2 ASN 9 2HB ASN 9 -3.950 11.690 15.628 69 HB3 ASN 9 1HB ASN 9 -4.867 10.189 15.657 70 HD21 ASN 9 1HD2 ASN 9 -3.689 12.815 17.543 71 HD22 ASN 9 2HD2 ASN 9 -4.397 12.339 19.041 72 H ARG 10 H ARG 10 -1.945 10.944 13.764 73 HA ARG 10 HA ARG 10 -3.197 8.987 12.057 74 HB2 ARG 10 2HB ARG 10 -1.413 11.351 11.382 75 HB3 ARG 10 1HB ARG 10 -2.158 10.304 10.172 76 HG2 ARG 10 2HG ARG 10 -4.402 10.938 10.997 77 HG3 ARG 10 1HG ARG 10 -3.659 11.979 12.214 78 HD2 ARG 10 2HD ARG 10 -3.428 12.316 9.207 79 HD3 ARG 10 1HD ARG 10 -4.439 13.280 10.286 80 HE ARG 10 HE ARG 10 -1.780 13.413 11.189 81 HH11 ARG 10 1HH1 ARG 10 -3.701 14.560 8.479 82 HH12 ARG 10 2HH1 ARG 10 -2.697 15.940 8.199 83 HH21 ARG 10 1HH2 ARG 10 -0.458 15.215 10.787 84 HH22 ARG 10 2HH2 ARG 10 -0.860 16.315 9.507 85 H TRP 11 H TRP 11 0.227 9.662 12.980 86 HA TRP 11 HA TRP 11 1.378 7.603 11.387 87 HB2 TRP 11 2HB TRP 11 2.310 8.975 13.928 88 HB3 TRP 11 1HB TRP 11 3.208 7.595 13.300 89 HD1 TRP 11 HD1 TRP 11 3.246 11.225 13.096 90 HE1 TRP 11 HE1 TRP 11 4.567 12.035 11.059 91 HE3 TRP 11 HE3 TRP 11 3.512 6.842 10.490 92 HZ2 TRP 11 HZ2 TRP 11 5.606 10.990 8.684 93 HZ3 TRP 11 HZ3 TRP 11 4.694 6.833 8.332 94 HH2 TRP 11 HH2 TRP 11 5.717 8.873 7.455 95 H GLN 12 H GLN 12 -0.056 7.616 14.586 96 HA GLN 12 HA GLN 12 0.409 4.976 15.391 97 HB2 GLN 12 2HB GLN 12 -0.504 6.772 16.869 98 HB3 GLN 12 1HB GLN 12 -2.011 6.751 15.961 99 HG2 GLN 12 2HG GLN 12 -2.374 4.399 16.687 100 HG3 GLN 12 1HG GLN 12 -0.894 4.497 17.646 101 HE21 GLN 12 1HE2 GLN 12 -1.955 4.162 19.597 102 HE22 GLN 12 2HE2 GLN 12 -3.020 5.319 20.311 103 H ARG 13 H ARG 13 -2.254 6.448 13.501 104 HA ARG 13 HA ARG 13 -3.747 4.125 12.996 105 HB2 ARG 13 2HB ARG 13 -3.457 6.606 11.239 106 HB3 ARG 13 1HB ARG 13 -4.655 5.344 10.983 107 HG2 ARG 13 2HG ARG 13 -4.487 7.215 13.359 108 HG3 ARG 13 1HG ARG 13 -5.684 7.251 12.070 109 HD2 ARG 13 2HD ARG 13 -6.585 5.108 12.798 110 HD3 ARG 13 1HD ARG 13 -5.329 4.955 14.029 111 HE ARG 13 HE ARG 13 -7.685 6.683 14.091 112 HH11 ARG 13 1HH1 ARG 13 -4.677 5.777 15.696 113 HH12 ARG 13 2HH1 ARG 13 -5.142 6.482 17.214 114 HH21 ARG 13 1HH2 ARG 13 -8.283 7.551 16.088 115 HH22 ARG 13 2HH2 ARG 13 -7.180 7.481 17.427 116 H ILE 14 H ILE 14 -1.121 5.633 11.098 117 HA ILE 14 HA ILE 14 -1.188 4.061 8.811 118 HB ILE 14 HB ILE 14 1.136 5.527 10.140 119 HG12 ILE 14 2HG1 ILE 14 -0.496 6.295 7.677 120 HG13 ILE 14 1HG1 ILE 14 -0.849 6.868 9.297 121 HG21 ILE 14 1HG2 ILE 14 2.106 3.801 8.681 122 HG22 ILE 14 2HG2 ILE 14 2.366 5.406 8.001 123 HG23 ILE 14 3HG2 ILE 14 1.111 4.357 7.334 124 HD11 ILE 14 1HD1 ILE 14 1.659 7.430 7.725 125 HD12 ILE 14 2HD1 ILE 14 1.335 7.981 9.370 126 HD13 ILE 14 3HD1 ILE 14 0.327 8.544 8.040 127 H ALA 15 H ALA 15 0.619 3.493 11.843 128 HA ALA 15 HA ALA 15 1.984 1.135 10.923 129 HB1 ALA 15 1HB ALA 15 2.889 2.589 12.673 130 HB2 ALA 15 2HB ALA 15 2.731 0.926 13.241 131 HB3 ALA 15 3HB ALA 15 1.559 2.151 13.744 132 H LEU 16 H LEU 16 -0.871 1.674 13.006 133 HA LEU 16 HA LEU 16 -1.324 -1.041 13.706 134 HB2 LEU 16 2HB LEU 16 -3.317 1.265 13.602 135 HB3 LEU 16 1HB LEU 16 -3.600 -0.274 14.399 136 HG LEU 16 HG LEU 16 -1.508 1.784 15.230 137 HD11 LEU 16 1HD1 LEU 16 -2.905 2.153 17.223 138 HD12 LEU 16 2HD1 LEU 16 -4.131 1.064 16.568 139 HD13 LEU 16 3HD1 LEU 16 -3.753 2.572 15.733 140 HD21 LEU 16 1HD2 LEU 16 -0.732 -0.468 15.747 141 HD22 LEU 16 2HD2 LEU 16 -2.240 -0.818 16.595 142 HD23 LEU 16 3HD2 LEU 16 -1.138 0.412 17.219 143 H LEU 17 H LEU 17 -2.390 0.980 11.027 144 HA LEU 17 HA LEU 17 -4.326 -0.851 9.950 145 HB2 LEU 17 2HB LEU 17 -3.078 1.635 8.691 146 HB3 LEU 17 1HB LEU 17 -4.397 0.709 7.988 147 HG LEU 17 HG LEU 17 -4.519 2.289 10.584 148 HD11 LEU 17 1HD1 LEU 17 -4.460 3.727 8.617 149 HD12 LEU 17 2HD1 LEU 17 -6.046 3.782 9.381 150 HD13 LEU 17 3HD1 LEU 17 -5.813 2.846 7.902 151 HD21 LEU 17 1HD2 LEU 17 -5.942 0.330 10.786 152 HD22 LEU 17 2HD2 LEU 17 -6.712 0.686 9.240 153 HD23 LEU 17 3HD2 LEU 17 -6.930 1.779 10.608 154 H SER 18 H SER 18 -0.945 0.066 9.176 155 HA SER 18 HA SER 18 -0.651 -1.365 6.773 156 HB2 SER 18 2HB SER 18 1.818 -1.317 7.263 157 HB3 SER 18 1HB SER 18 1.044 0.254 7.449 158 HG SER 18 HG SER 18 2.245 -1.349 9.327 159 H GLN 19 H GLN 19 -0.127 -2.312 10.140 160 HA GLN 19 HA GLN 19 0.734 -4.970 9.693 161 HB2 GLN 19 2HB GLN 19 0.998 -3.716 11.838 162 HB3 GLN 19 1HB GLN 19 -0.740 -3.822 12.105 163 HG2 GLN 19 2HG GLN 19 -0.572 -6.282 12.217 164 HG3 GLN 19 1HG GLN 19 1.167 -6.176 11.939 165 HE21 GLN 19 1HE2 GLN 19 -0.719 -4.009 14.040 166 HE22 GLN 19 2HE2 GLN 19 0.014 -4.537 15.511 167 H SER 20 H SER 20 -2.505 -3.598 10.335 168 HA SER 20 HA SER 20 -4.048 -5.906 10.431 169 HB2 SER 20 2HB SER 20 -4.841 -3.180 9.306 170 HB3 SER 20 1HB SER 20 -5.974 -4.462 9.746 171 HG SER 20 HG SER 20 -4.754 -2.632 11.317 172 H LEU 21 H LEU 21 -3.493 -3.834 7.560 173 HA LEU 21 HA LEU 21 -4.927 -5.579 5.814 174 HB2 LEU 21 2HB LEU 21 -4.279 -3.967 4.020 175 HB3 LEU 21 1HB LEU 21 -5.103 -3.257 5.389 176 HG LEU 21 HG LEU 21 -2.714 -2.578 6.213 177 HD11 LEU 21 1HD1 LEU 21 -2.072 -3.000 3.299 178 HD12 LEU 21 2HD1 LEU 21 -1.380 -3.868 4.670 179 HD13 LEU 21 3HD1 LEU 21 -1.062 -2.149 4.474 180 HD21 LEU 21 1HD2 LEU 21 -4.380 -0.953 5.528 181 HD22 LEU 21 2HD2 LEU 21 -3.948 -1.178 3.831 182 HD23 LEU 21 3HD2 LEU 21 -2.782 -0.478 4.960 183 H LEU 22 H LEU 22 -1.556 -5.301 6.698 184 HA LEU 22 HA LEU 22 -0.362 -6.770 4.619 185 HB2 LEU 22 2HB LEU 22 1.032 -5.713 6.329 186 HB3 LEU 22 1HB LEU 22 0.306 -6.699 7.589 187 HG LEU 22 HG LEU 22 1.333 -8.745 6.507 188 HD11 LEU 22 1HD1 LEU 22 2.831 -6.759 4.776 189 HD12 LEU 22 2HD1 LEU 22 1.613 -7.917 4.231 190 HD13 LEU 22 3HD1 LEU 22 3.142 -8.495 4.887 191 HD21 LEU 22 1HD2 LEU 22 2.378 -7.705 8.449 192 HD22 LEU 22 2HD2 LEU 22 3.306 -6.631 7.401 193 HD23 LEU 22 3HD2 LEU 22 3.591 -8.372 7.358 194 H GLU 23 H GLU 23 -1.740 -7.846 7.722 195 HA GLU 23 HA GLU 23 -1.425 -10.627 7.266 196 HB2 GLU 23 2HB GLU 23 -3.273 -9.146 9.179 197 HB3 GLU 23 1HB GLU 23 -2.943 -10.879 9.239 198 HG2 GLU 23 2HG GLU 23 -0.593 -10.478 9.736 199 HG3 GLU 23 1HG GLU 23 -0.800 -8.742 9.511 200 H LEU 24 H LEU 24 -4.114 -8.388 6.684 201 HA LEU 24 HA LEU 24 -6.105 -10.214 5.895 202 HB2 LEU 24 2HB LEU 24 -5.608 -7.335 5.027 203 HB3 LEU 24 1HB LEU 24 -7.070 -8.226 4.630 204 HG LEU 24 HG LEU 24 -6.171 -7.656 7.484 205 HD11 LEU 24 1HD1 LEU 24 -7.916 -5.926 7.565 206 HD12 LEU 24 2HD1 LEU 24 -8.230 -6.156 5.843 207 HD13 LEU 24 3HD1 LEU 24 -6.669 -5.540 6.382 208 HD21 LEU 24 1HD2 LEU 24 -8.453 -8.312 8.105 209 HD22 LEU 24 2HD2 LEU 24 -7.607 -9.628 7.295 210 HD23 LEU 24 3HD2 LEU 24 -8.816 -8.687 6.418 211 H ALA 25 H ALA 25 -3.556 -8.602 4.020 212 HA ALA 25 HA ALA 25 -4.149 -9.627 1.456 213 HB1 ALA 25 1HB ALA 25 -1.853 -8.981 0.865 214 HB2 ALA 25 2HB ALA 25 -1.439 -8.811 2.574 215 HB3 ALA 25 3HB ALA 25 -2.615 -7.722 1.836 216 H GLN 26 H GLN 26 -1.979 -10.810 4.019 217 HA GLN 26 HA GLN 26 -0.974 -13.111 2.688 218 HB2 GLN 26 2HB GLN 26 -1.231 -12.516 5.668 219 HB3 GLN 26 1HB GLN 26 -0.256 -13.819 4.991 220 HG2 GLN 26 2HG GLN 26 1.240 -12.245 3.938 221 HG3 GLN 26 1HG GLN 26 0.199 -10.890 4.352 222 HE21 GLN 26 1HE2 GLN 26 -0.285 -11.856 7.115 223 HE22 GLN 26 2HE2 GLN 26 1.181 -11.534 7.968 224 H ARG 27 H ARG 27 -3.900 -12.512 4.481 225 HA ARG 27 HA ARG 27 -4.705 -15.275 4.827 226 HB2 ARG 27 2HB ARG 27 -6.097 -12.601 5.247 227 HB3 ARG 27 1HB ARG 27 -6.934 -14.130 5.477 228 HG2 ARG 27 2HG ARG 27 -4.402 -13.447 6.994 229 HG3 ARG 27 1HG ARG 27 -6.002 -12.978 7.563 230 HD2 ARG 27 2HD ARG 27 -5.090 -15.828 7.038 231 HD3 ARG 27 1HD ARG 27 -5.238 -15.061 8.624 232 HE ARG 27 HE ARG 27 -7.634 -15.165 6.923 233 HH11 ARG 27 1HH1 ARG 27 -5.961 -16.503 9.736 234 HH12 ARG 27 2HH1 ARG 27 -7.398 -17.243 10.368 235 HH21 ARG 27 1HH2 ARG 27 -9.492 -16.118 7.784 236 HH22 ARG 27 2HH2 ARG 27 -9.397 -17.025 9.262 237 H GLY 28 H GLY 28 -5.021 -12.823 2.384 238 HA2 GLY 28 2HA GLY 28 -5.605 -13.311 0.131 239 HA3 GLY 28 1HA GLY 28 -6.675 -14.590 0.683 240 H GLU 29 H GLU 29 -7.241 -12.098 2.747 241 HA GLU 29 HA GLU 29 -9.606 -11.122 1.412 242 HB2 GLU 29 2HB GLU 29 -8.299 -10.511 4.087 243 HB3 GLU 29 1HB GLU 29 -9.592 -9.483 3.478 244 HG2 GLU 29 2HG GLU 29 -10.523 -11.092 5.012 245 HG3 GLU 29 1HG GLU 29 -11.098 -11.435 3.385 246 H TRP 30 H TRP 30 -8.562 -10.356 -0.498 247 HA TRP 30 HA TRP 30 -6.763 -8.137 -0.492 248 HB2 TRP 30 2HB TRP 30 -8.552 -9.011 -2.805 249 HB3 TRP 30 1HB TRP 30 -7.061 -8.075 -2.901 250 HD1 TRP 30 HD1 TRP 30 -8.230 -11.471 -3.469 251 HE1 TRP 30 HE1 TRP 30 -6.319 -13.183 -3.413 252 HE3 TRP 30 HE3 TRP 30 -4.577 -8.575 -1.352 253 HZ2 TRP 30 HZ2 TRP 30 -3.657 -13.312 -2.584 254 HZ3 TRP 30 HZ3 TRP 30 -2.366 -9.581 -0.971 255 HH2 TRP 30 HH2 TRP 30 -1.921 -11.904 -1.577 256 H ASP 31 H ASP 31 -10.240 -8.498 -0.474 257 HA ASP 31 HA ASP 31 -10.951 -5.881 -1.335 258 HB2 ASP 31 2HB ASP 31 -12.629 -7.681 0.474 259 HB3 ASP 31 1HB ASP 31 -13.199 -6.405 -0.595 260 H LEU 32 H LEU 32 -10.449 -7.360 1.872 261 HA LEU 32 HA LEU 32 -11.016 -4.968 3.371 262 HB2 LEU 32 2HB LEU 32 -9.670 -7.573 4.174 263 HB3 LEU 32 1HB LEU 32 -9.996 -6.262 5.298 264 HG LEU 32 HG LEU 32 -12.069 -7.930 3.821 265 HD11 LEU 32 1HD1 LEU 32 -12.712 -8.693 6.069 266 HD12 LEU 32 2HD1 LEU 32 -11.419 -7.724 6.778 267 HD13 LEU 32 3HD1 LEU 32 -11.027 -9.078 5.717 268 HD21 LEU 32 1HD2 LEU 32 -12.530 -5.564 5.674 269 HD22 LEU 32 2HD2 LEU 32 -13.784 -6.643 5.056 270 HD23 LEU 32 3HD2 LEU 32 -12.877 -5.624 3.943 271 H LEU 33 H LEU 33 -8.075 -6.473 2.104 272 HA LEU 33 HA LEU 33 -6.089 -4.762 3.073 273 HB2 LEU 33 2HB LEU 33 -5.509 -6.710 1.754 274 HB3 LEU 33 1HB LEU 33 -6.446 -6.135 0.390 275 HG LEU 33 HG LEU 33 -4.746 -4.209 0.189 276 HD11 LEU 33 1HD1 LEU 33 -3.124 -5.961 2.051 277 HD12 LEU 33 2HD1 LEU 33 -3.725 -4.336 2.387 278 HD13 LEU 33 3HD1 LEU 33 -2.512 -4.580 1.135 279 HD21 LEU 33 1HD2 LEU 33 -3.142 -5.564 -1.069 280 HD22 LEU 33 2HD2 LEU 33 -4.798 -6.081 -1.377 281 HD23 LEU 33 3HD2 LEU 33 -3.764 -7.032 -0.307 282 H LEU 34 H LEU 34 -8.275 -4.386 0.303 283 HA LEU 34 HA LEU 34 -7.296 -1.790 -0.504 284 HB2 LEU 34 2HB LEU 34 -9.672 -3.443 -1.409 285 HB3 LEU 34 1HB LEU 34 -9.163 -1.946 -2.180 286 HG LEU 34 HG LEU 34 -7.413 -4.430 -1.985 287 HD11 LEU 34 1HD1 LEU 34 -9.096 -3.490 -4.319 288 HD12 LEU 34 2HD1 LEU 34 -9.362 -4.935 -3.340 289 HD13 LEU 34 3HD1 LEU 34 -7.927 -4.811 -4.352 290 HD21 LEU 34 1HD2 LEU 34 -6.119 -2.364 -2.205 291 HD22 LEU 34 2HD2 LEU 34 -7.059 -1.901 -3.626 292 HD23 LEU 34 3HD2 LEU 34 -6.021 -3.327 -3.680 293 H GLN 35 H GLN 35 -9.793 -2.944 1.613 294 HA GLN 35 HA GLN 35 -11.386 -0.557 1.710 295 HB2 GLN 35 2HB GLN 35 -12.259 -2.770 2.427 296 HB3 GLN 35 1HB GLN 35 -11.091 -2.824 3.740 297 HG2 GLN 35 2HG GLN 35 -13.286 -2.229 4.597 298 HG3 GLN 35 1HG GLN 35 -12.184 -0.872 4.794 299 HE21 GLN 35 1HE2 GLN 35 -13.812 -1.733 1.747 300 HE22 GLN 35 2HE2 GLN 35 -14.804 -0.324 1.684 301 H GLN 36 H GLN 36 -8.624 -1.852 3.491 302 HA GLN 36 HA GLN 36 -8.357 0.544 5.137 303 HB2 GLN 36 2HB GLN 36 -6.735 -2.027 5.007 304 HB3 GLN 36 1HB GLN 36 -6.314 -0.668 6.042 305 HG2 GLN 36 2HG GLN 36 -8.838 -2.336 6.203 306 HG3 GLN 36 1HG GLN 36 -7.485 -2.351 7.333 307 HE21 GLN 36 1HE2 GLN 36 -10.277 -1.830 7.911 308 HE22 GLN 36 2HE2 GLN 36 -10.362 -0.240 8.584 309 H GLU 37 H GLU 37 -7.217 -0.526 2.054 310 HA GLU 37 HA GLU 37 -4.778 0.717 1.658 311 HB2 GLU 37 2HB GLU 37 -5.772 -0.543 -0.153 312 HB3 GLU 37 1HB GLU 37 -7.191 0.491 -0.182 313 HG2 GLU 37 2HG GLU 37 -5.660 2.376 -0.976 314 HG3 GLU 37 1HG GLU 37 -4.402 1.154 -1.162 315 H VAL 38 H VAL 38 -7.986 2.152 1.136 316 HA VAL 38 HA VAL 38 -7.167 4.738 0.485 317 HB VAL 38 HB VAL 38 -9.529 5.444 1.027 318 HG11 VAL 38 1HG1 VAL 38 -10.592 4.086 -0.747 319 HG12 VAL 38 2HG1 VAL 38 -9.269 2.919 -0.658 320 HG13 VAL 38 3HG1 VAL 38 -8.957 4.571 -1.197 321 HG21 VAL 38 1HG2 VAL 38 -9.979 3.935 2.935 322 HG22 VAL 38 2HG2 VAL 38 -9.923 2.537 1.860 323 HG23 VAL 38 3HG2 VAL 38 -11.201 3.742 1.673 324 H SER 39 H SER 39 -8.059 3.370 3.645 325 HA SER 39 HA SER 39 -7.908 5.682 5.230 326 HB2 SER 39 2HB SER 39 -7.280 2.814 6.067 327 HB3 SER 39 1HB SER 39 -7.847 4.122 7.109 328 HG SER 39 HG SER 39 -9.410 2.462 6.163 329 H TYR 40 H TYR 40 -5.514 3.259 4.396 330 HA TYR 40 HA TYR 40 -3.451 3.994 6.196 331 HB2 TYR 40 2HB TYR 40 -3.692 1.721 5.399 332 HB3 TYR 40 1HB TYR 40 -3.592 2.230 3.719 333 HD1 TYR 40 HD1 TYR 40 -1.417 2.768 6.760 334 HD2 TYR 40 HD2 TYR 40 -1.673 1.377 2.723 335 HE1 TYR 40 HE1 TYR 40 0.961 2.195 6.792 336 HE2 TYR 40 HE2 TYR 40 0.711 0.809 2.763 337 HH TYR 40 HH TYR 40 2.749 1.554 4.078 338 H LEU 41 H LEU 41 -3.579 4.170 2.627 339 HA LEU 41 HA LEU 41 -1.209 5.607 2.267 340 HB2 LEU 41 2HB LEU 41 -3.628 5.331 0.441 341 HB3 LEU 41 1HB LEU 41 -2.102 6.040 -0.060 342 HG LEU 41 HG LEU 41 -2.475 3.146 0.835 343 HD11 LEU 41 1HD1 LEU 41 -2.008 4.255 -1.956 344 HD12 LEU 41 2HD1 LEU 41 -3.517 3.572 -1.350 345 HD13 LEU 41 3HD1 LEU 41 -2.096 2.546 -1.519 346 HD21 LEU 41 1HD2 LEU 41 -0.230 3.959 1.403 347 HD22 LEU 41 2HD2 LEU 41 0.009 4.527 -0.251 348 HD23 LEU 41 3HD2 LEU 41 -0.152 2.801 0.075 349 H GLN 42 H GLN 42 -4.616 6.737 2.495 350 HA GLN 42 HA GLN 42 -4.273 9.461 1.969 351 HB2 GLN 42 2HB GLN 42 -6.464 8.372 2.247 352 HB3 GLN 42 1HB GLN 42 -6.142 8.115 3.956 353 HG2 GLN 42 2HG GLN 42 -6.052 10.657 4.190 354 HG3 GLN 42 1HG GLN 42 -6.681 10.741 2.545 355 HE21 GLN 42 1HE2 GLN 42 -8.400 8.329 2.929 356 HE22 GLN 42 2HE2 GLN 42 -9.708 8.869 3.918 357 H SER 43 H SER 43 -4.043 7.743 5.104 358 HA SER 43 HA SER 43 -3.474 9.930 6.759 359 HB2 SER 43 2HB SER 43 -2.613 7.029 7.066 360 HB3 SER 43 1HB SER 43 -2.585 8.235 8.355 361 HG SER 43 HG SER 43 -4.633 6.734 7.508 362 H ILE 44 H ILE 44 -1.246 7.810 4.945 363 HA ILE 44 HA ILE 44 1.210 8.923 5.827 364 HB ILE 44 HB ILE 44 0.616 7.611 3.125 365 HG12 ILE 44 2HG1 ILE 44 1.660 6.317 5.693 366 HG13 ILE 44 1HG1 ILE 44 0.029 6.135 5.062 367 HG21 ILE 44 1HG2 ILE 44 3.266 8.038 4.560 368 HG22 ILE 44 2HG2 ILE 44 2.740 8.836 3.076 369 HG23 ILE 44 3HG2 ILE 44 3.054 7.102 3.081 370 HD11 ILE 44 1HD1 ILE 44 1.372 4.190 4.570 371 HD12 ILE 44 2HD1 ILE 44 2.558 5.180 3.722 372 HD13 ILE 44 3HD1 ILE 44 0.922 5.012 3.077 373 H GLU 45 H GLU 45 -0.855 9.640 3.043 374 HA GLU 45 HA GLU 45 0.752 11.508 1.709 375 HB2 GLU 45 2HB GLU 45 -2.258 11.054 1.692 376 HB3 GLU 45 1HB GLU 45 -1.468 12.205 0.618 377 HG2 GLU 45 2HG GLU 45 -0.198 10.426 -0.453 378 HG3 GLU 45 1HG GLU 45 -0.810 9.243 0.700 379 H THR 46 H THR 46 -1.735 11.966 4.225 380 HA THR 46 HA THR 46 -1.723 14.838 3.958 381 HB THR 46 HB THR 46 -3.812 13.709 4.562 382 HG1 THR 46 HG1 THR 46 -3.152 15.909 5.432 383 HG21 THR 46 1HG2 THR 46 -2.906 11.864 5.946 384 HG22 THR 46 2HG2 THR 46 -4.202 12.732 6.771 385 HG23 THR 46 3HG2 THR 46 -2.521 13.021 7.224 386 H VAL 47 H VAL 47 -0.231 12.518 6.290 387 HA VAL 47 HA VAL 47 0.774 14.544 8.048 388 HB VAL 47 HB VAL 47 2.349 12.865 8.968 389 HG11 VAL 47 1HG1 VAL 47 0.052 12.892 9.810 390 HG12 VAL 47 2HG1 VAL 47 0.705 11.254 9.827 391 HG13 VAL 47 3HG1 VAL 47 -0.440 11.736 8.570 392 HG21 VAL 47 1HG2 VAL 47 2.391 10.539 8.134 393 HG22 VAL 47 2HG2 VAL 47 2.973 11.674 6.914 394 HG23 VAL 47 3HG2 VAL 47 1.348 11.000 6.785 395 H MET 48 H MET 48 2.018 13.127 5.063 396 HA MET 48 HA MET 48 4.622 14.412 5.301 397 HB2 MET 48 2HB MET 48 3.334 12.712 3.137 398 HB3 MET 48 1HB MET 48 4.936 13.431 2.959 399 HG2 MET 48 2HG MET 48 4.118 11.497 5.136 400 HG3 MET 48 1HG MET 48 5.082 11.115 3.708 401 HE1 MET 48 1HE MET 48 7.859 10.920 6.409 402 HE2 MET 48 2HE MET 48 7.225 10.190 4.939 403 HE3 MET 48 3HE MET 48 6.231 10.250 6.395 404 H GLU 49 H GLU 49 1.580 15.056 3.663 405 HA GLU 49 HA GLU 49 2.473 17.079 1.860 406 HB2 GLU 49 2HB GLU 49 0.288 15.935 1.640 407 HB3 GLU 49 1HB GLU 49 -0.264 16.655 3.148 408 HG2 GLU 49 2HG GLU 49 -0.063 18.912 2.078 409 HG3 GLU 49 1HG GLU 49 0.360 18.121 0.559 410 H LYS 50 H LYS 50 1.380 17.078 5.209 411 HA LYS 50 HA LYS 50 1.729 19.939 5.596 412 HB2 LYS 50 2HB LYS 50 0.191 18.075 6.897 413 HB3 LYS 50 1HB LYS 50 1.580 18.068 7.964 414 HG2 LYS 50 2HG LYS 50 -0.160 20.458 7.267 415 HG3 LYS 50 1HG LYS 50 -0.142 19.584 8.794 416 HD2 LYS 50 2HD LYS 50 2.191 21.183 7.678 417 HD3 LYS 50 1HD LYS 50 1.051 21.775 8.885 418 HE2 LYS 50 2HE LYS 50 1.817 20.180 10.515 419 HE3 LYS 50 1HE LYS 50 2.766 19.304 9.306 420 HZ1 LYS 50 1HZ LYS 50 3.283 22.094 10.198 421 HZ2 LYS 50 2HZ LYS 50 4.195 21.232 9.068 422 HZ3 LYS 50 3HZ LYS 50 4.160 20.732 10.681 423 H GLN 51 H GLN 51 3.484 16.945 6.078 424 HA GLN 51 HA GLN 51 5.608 16.359 6.480 425 HB2 GLN 51 2HB GLN 51 6.295 18.236 4.991 426 HB3 GLN 51 1HB GLN 51 6.303 19.327 6.368 427 HG2 GLN 51 2HG GLN 51 8.579 18.678 5.779 428 HG3 GLN 51 1HG GLN 51 8.161 18.057 7.374 429 HE21 GLN 51 1HE2 GLN 51 8.729 17.198 4.035 430 HE22 GLN 51 2HE2 GLN 51 8.964 15.509 4.299 431 H THR 52 H THR 52 6.992 16.021 8.246 432 HA THR 52 HA THR 52 6.028 16.066 10.797 433 HB THR 52 HB THR 52 8.939 16.072 9.891 434 HG1 THR 52 HG1 THR 52 8.255 14.233 9.084 435 HG21 THR 52 1HG2 THR 52 9.448 14.905 12.023 436 HG22 THR 52 2HG2 THR 52 7.780 15.135 12.550 437 HG23 THR 52 3HG2 THR 52 8.830 16.532 12.317 438 HA PRO 53 HA PRO 53 6.571 20.506 11.913 439 HB2 PRO 53 2HB PRO 53 5.503 20.280 14.462 440 HB3 PRO 53 1HB PRO 53 4.509 20.434 13.000 441 HG2 PRO 53 2HG PRO 53 5.232 17.954 14.526 442 HG3 PRO 53 1HG PRO 53 3.661 18.438 13.846 443 HD2 PRO 53 2HD PRO 53 5.257 16.657 12.589 444 HD3 PRO 53 1HD PRO 53 4.245 17.801 11.681 445 HA PRO 54 HA PRO 54 10.519 20.116 14.075 446 HB2 PRO 54 2HB PRO 54 10.167 22.910 15.085 447 HB3 PRO 54 1HB PRO 54 11.393 22.248 13.983 448 HG2 PRO 54 2HG PRO 54 9.465 23.870 13.074 449 HG3 PRO 54 1HG PRO 54 10.066 22.508 12.097 450 HD2 PRO 54 2HD PRO 54 7.551 22.664 13.765 451 HD3 PRO 54 1HD PRO 54 7.768 22.039 12.112 452 H GLY 55 H GLY 55 7.622 21.056 15.782 453 HA2 GLY 55 2HA GLY 55 8.747 20.878 18.459 454 HA3 GLY 55 1HA GLY 55 7.067 21.156 18.023 455 H ILE 56 H ILE 56 9.432 18.531 17.491 456 HA ILE 56 HA ILE 56 7.558 16.569 18.713 457 HB ILE 56 HB ILE 56 9.669 16.049 16.548 458 HG12 ILE 56 2HG1 ILE 56 7.757 17.214 15.551 459 HG13 ILE 56 1HG1 ILE 56 7.732 15.534 15.034 460 HG21 ILE 56 1HG2 ILE 56 8.755 13.753 16.443 461 HG22 ILE 56 2HG2 ILE 56 7.663 14.117 17.781 462 HG23 ILE 56 3HG2 ILE 56 9.409 14.115 18.044 463 HD11 ILE 56 1HD1 ILE 56 5.510 16.269 15.513 464 HD12 ILE 56 2HD1 ILE 56 5.978 16.819 17.121 465 HD13 ILE 56 3HD1 ILE 56 5.984 15.094 16.739 466 H THR 57 H THR 57 8.314 16.133 20.714 467 HA THR 57 HA THR 57 11.058 16.443 21.529 468 HB THR 57 HB THR 57 9.185 16.829 23.114 469 HG1 THR 57 HG1 THR 57 10.264 16.000 24.811 470 HG21 THR 57 1HG2 THR 57 7.945 14.924 24.091 471 HG22 THR 57 2HG2 THR 57 8.706 13.830 22.933 472 HG23 THR 57 3HG2 THR 57 7.613 15.097 22.368 473 H ARG 58 H ARG 58 12.031 14.498 22.828 474 HA ARG 58 HA ARG 58 12.688 12.471 20.938 475 HB2 ARG 58 2HB ARG 58 13.899 11.458 23.107 476 HB3 ARG 58 1HB ARG 58 14.518 12.884 22.295 477 HG2 ARG 58 2HG ARG 58 14.628 13.238 24.680 478 HG3 ARG 58 1HG ARG 58 13.423 14.322 23.994 479 HD2 ARG 58 2HD ARG 58 11.679 12.555 24.740 480 HD3 ARG 58 1HD ARG 58 12.984 11.867 25.715 481 HE ARG 58 HE ARG 58 12.961 14.544 26.349 482 HH11 ARG 58 1HH1 ARG 58 10.571 11.963 26.534 483 HH12 ARG 58 2HH1 ARG 58 9.732 12.674 27.876 484 HH21 ARG 58 1HH2 ARG 58 11.816 15.484 28.089 485 HH22 ARG 58 2HH2 ARG 58 10.439 14.667 28.758 486 H SER 59 H SER 59 10.285 12.628 23.449 487 HA SER 59 HA SER 59 9.802 9.836 23.784 488 HB2 SER 59 2HB SER 59 9.068 11.523 25.443 489 HB3 SER 59 1HB SER 59 7.945 12.211 24.268 490 HG SER 59 HG SER 59 7.754 9.475 24.805 491 H ILE 60 H ILE 60 8.055 12.356 21.967 492 HA ILE 60 HA ILE 60 6.217 10.674 20.626 493 HB ILE 60 HB ILE 60 7.162 13.505 19.959 494 HG12 ILE 60 2HG1 ILE 60 4.663 12.603 21.476 495 HG13 ILE 60 1HG1 ILE 60 6.139 13.166 22.252 496 HG21 ILE 60 1HG2 ILE 60 6.097 12.503 17.981 497 HG22 ILE 60 2HG2 ILE 60 5.050 13.745 18.669 498 HG23 ILE 60 3HG2 ILE 60 4.693 12.039 18.946 499 HD11 ILE 60 1HD1 ILE 60 4.494 14.910 22.209 500 HD12 ILE 60 2HD1 ILE 60 4.342 14.780 20.459 501 HD13 ILE 60 3HD1 ILE 60 5.852 15.350 21.175 502 H GLN 61 H GLN 61 9.394 11.932 19.783 503 HA GLN 61 HA GLN 61 9.605 11.152 17.091 504 HB2 GLN 61 2HB GLN 61 11.168 12.723 18.099 505 HB3 GLN 61 1HB GLN 61 11.711 11.521 19.265 506 HG2 GLN 61 2HG GLN 61 12.701 10.202 17.397 507 HG3 GLN 61 1HG GLN 61 12.206 11.470 16.271 508 HE21 GLN 61 1HE2 GLN 61 13.344 13.434 16.263 509 HE22 GLN 61 2HE2 GLN 61 14.837 13.653 17.104 510 H ASP 62 H ASP 62 10.405 9.426 20.124 511 HA ASP 62 HA ASP 62 11.427 7.038 18.960 512 HB2 ASP 62 2HB ASP 62 11.810 7.639 21.325 513 HB3 ASP 62 1HB ASP 62 10.091 7.488 21.669 514 H MET 63 H MET 63 8.217 7.939 20.125 515 HA MET 63 HA MET 63 6.732 5.623 19.789 516 HB2 MET 63 2HB MET 63 5.969 8.555 19.487 517 HB3 MET 63 1HB MET 63 4.777 7.262 19.451 518 HG2 MET 63 2HG MET 63 5.176 6.692 21.722 519 HG3 MET 63 1HG MET 63 6.651 7.654 21.778 520 HE1 MET 63 1HE MET 63 2.828 8.246 20.737 521 HE2 MET 63 2HE MET 63 3.781 9.414 19.818 522 HE3 MET 63 3HE MET 63 2.715 9.968 21.105 523 H VAL 64 H VAL 64 7.019 8.320 17.472 524 HA VAL 64 HA VAL 64 5.724 6.873 15.370 525 HB VAL 64 HB VAL 64 6.111 8.804 13.938 526 HG11 VAL 64 1HG1 VAL 64 4.212 8.835 15.523 527 HG12 VAL 64 2HG1 VAL 64 4.817 10.458 15.205 528 HG13 VAL 64 3HG1 VAL 64 5.216 9.654 16.726 529 HG21 VAL 64 1HG2 VAL 64 8.393 9.403 14.650 530 HG22 VAL 64 2HG2 VAL 64 7.778 9.973 16.201 531 HG23 VAL 64 3HG2 VAL 64 7.320 10.806 14.710 532 H ALA 65 H ALA 65 9.089 7.226 16.316 533 HA ALA 65 HA ALA 65 10.292 6.297 13.920 534 HB1 ALA 65 1HB ALA 65 12.181 5.562 15.332 535 HB2 ALA 65 2HB ALA 65 11.200 5.799 16.782 536 HB3 ALA 65 3HB ALA 65 11.643 7.181 15.779 537 H GLY 66 H GLY 66 8.802 4.622 16.672 538 HA2 GLY 66 2HA GLY 66 9.168 1.942 15.774 539 HA3 GLY 66 1HA GLY 66 7.955 2.501 16.923 540 H TYR 67 H TYR 67 6.579 4.345 15.307 541 HA TYR 67 HA TYR 67 4.739 2.629 14.015 542 HB2 TYR 67 2HB TYR 67 4.964 5.659 14.022 543 HB3 TYR 67 1HB TYR 67 3.631 4.802 13.254 544 HD1 TYR 67 HD1 TYR 67 3.882 6.794 15.848 545 HD2 TYR 67 HD2 TYR 67 3.118 2.622 15.279 546 HE1 TYR 67 HE1 TYR 67 2.659 6.719 17.981 547 HE2 TYR 67 HE2 TYR 67 1.877 2.562 17.390 548 HH TYR 67 HH TYR 67 1.823 3.827 19.505 549 H ILE 68 H ILE 68 7.261 4.771 12.699 550 HA ILE 68 HA ILE 68 6.500 4.367 9.951 551 HB ILE 68 HB ILE 68 9.175 5.472 10.956 552 HG12 ILE 68 2HG1 ILE 68 6.705 7.056 10.101 553 HG13 ILE 68 1HG1 ILE 68 7.200 6.828 11.766 554 HG21 ILE 68 1HG2 ILE 68 9.233 4.729 8.598 555 HG22 ILE 68 2HG2 ILE 68 9.331 6.487 8.686 556 HG23 ILE 68 3HG2 ILE 68 7.810 5.710 8.234 557 HD11 ILE 68 1HD1 ILE 68 8.787 8.277 9.652 558 HD12 ILE 68 2HD1 ILE 68 9.259 8.062 11.340 559 HD13 ILE 68 3HD1 ILE 68 7.832 9.015 10.937 560 H LYS 69 H LYS 69 8.870 2.963 12.194 561 HA LYS 69 HA LYS 69 10.268 1.298 10.396 562 HB2 LYS 69 2HB LYS 69 10.999 1.737 12.720 563 HB3 LYS 69 1HB LYS 69 9.628 0.819 13.333 564 HG2 LYS 69 2HG LYS 69 10.553 -1.232 12.209 565 HG3 LYS 69 1HG LYS 69 11.955 -0.278 11.712 566 HD2 LYS 69 2HD LYS 69 12.456 -1.601 13.737 567 HD3 LYS 69 1HD LYS 69 12.544 0.130 14.075 568 HE2 LYS 69 2HE LYS 69 10.293 0.048 15.092 569 HE3 LYS 69 1HE LYS 69 10.188 -1.680 14.737 570 HZ1 LYS 69 1HZ LYS 69 12.163 -0.384 16.535 571 HZ2 LYS 69 2HZ LYS 69 12.111 -2.030 16.178 572 HZ3 LYS 69 3HZ LYS 69 10.835 -1.309 17.018 573 H GLN 70 H GLN 70 7.296 0.727 12.289 574 HA GLN 70 HA GLN 70 6.780 -1.940 11.533 575 HB2 GLN 70 2HB GLN 70 4.882 0.289 12.359 576 HB3 GLN 70 1HB GLN 70 4.335 -1.352 12.040 577 HG2 GLN 70 2HG GLN 70 5.799 -2.168 13.884 578 HG3 GLN 70 1HG GLN 70 6.248 -0.496 14.229 579 HE21 GLN 70 1HE2 GLN 70 2.986 -1.551 13.280 580 HE22 GLN 70 2HE2 GLN 70 2.244 -1.180 14.792 581 H THR 71 H THR 71 5.666 1.152 10.129 582 HA THR 71 HA THR 71 3.972 -0.061 8.217 583 HB THR 71 HB THR 71 3.739 2.315 9.116 584 HG1 THR 71 HG1 THR 71 3.462 1.525 6.444 585 HG21 THR 71 1HG2 THR 71 6.030 3.149 8.655 586 HG22 THR 71 2HG2 THR 71 4.793 4.149 7.901 587 HG23 THR 71 3HG2 THR 71 5.722 3.010 6.924 588 H LEU 72 H LEU 72 7.359 0.994 8.086 589 HA LEU 72 HA LEU 72 7.793 0.645 5.303 590 HB2 LEU 72 2HB LEU 72 9.694 0.544 7.676 591 HB3 LEU 72 1HB LEU 72 10.258 0.334 6.025 592 HG LEU 72 HG LEU 72 8.833 2.833 7.028 593 HD11 LEU 72 1HD1 LEU 72 11.027 3.921 6.995 594 HD12 LEU 72 2HD1 LEU 72 11.805 2.394 6.571 595 HD13 LEU 72 3HD1 LEU 72 11.010 2.578 8.137 596 HD21 LEU 72 1HD2 LEU 72 8.523 2.480 4.634 597 HD22 LEU 72 2HD2 LEU 72 10.259 2.251 4.406 598 HD23 LEU 72 3HD2 LEU 72 9.632 3.822 4.904 599 H ASP 73 H ASP 73 8.130 -1.519 8.074 600 HA ASP 73 HA ASP 73 9.225 -3.775 6.812 601 HB2 ASP 73 2HB ASP 73 9.159 -3.579 9.260 602 HB3 ASP 73 1HB ASP 73 7.400 -3.570 9.255 603 H ASN 74 H ASN 74 5.847 -3.064 7.654 604 HA ASN 74 HA ASN 74 4.697 -5.379 6.566 605 HB2 ASN 74 2HB ASN 74 3.382 -2.679 7.090 606 HB3 ASN 74 1HB ASN 74 2.537 -4.207 6.871 607 HD21 ASN 74 1HD2 ASN 74 4.547 -5.714 8.539 608 HD22 ASN 74 2HD2 ASN 74 4.180 -5.253 10.158 609 H GLU 75 H GLU 75 5.128 -2.122 5.220 610 HA GLU 75 HA GLU 75 3.632 -2.560 2.817 611 HB2 GLU 75 2HB GLU 75 3.882 -0.378 3.927 612 HB3 GLU 75 1HB GLU 75 5.606 -0.381 3.595 613 HG2 GLU 75 2HG GLU 75 5.239 -0.071 1.252 614 HG3 GLU 75 1HG GLU 75 3.508 -0.387 1.410 615 H GLN 76 H GLN 76 7.000 -2.983 3.715 616 HA GLN 76 HA GLN 76 8.046 -3.393 1.064 617 HB2 GLN 76 2HB GLN 76 9.517 -2.787 2.938 618 HB3 GLN 76 1HB GLN 76 9.090 -4.261 3.794 619 HG2 GLN 76 2HG GLN 76 10.213 -5.609 2.080 620 HG3 GLN 76 1HG GLN 76 10.586 -4.155 1.157 621 HE21 GLN 76 1HE2 GLN 76 10.828 -4.331 4.690 622 HE22 GLN 76 2HE2 GLN 76 12.546 -4.226 4.744 623 H LEU 77 H LEU 77 6.738 -5.495 3.597 624 HA LEU 77 HA LEU 77 7.118 -7.984 2.255 625 HB2 LEU 77 2HB LEU 77 5.151 -7.213 4.445 626 HB3 LEU 77 1HB LEU 77 5.479 -8.860 3.931 627 HG LEU 77 HG LEU 77 7.498 -6.994 5.241 628 HD11 LEU 77 1HD1 LEU 77 6.084 -9.412 6.406 629 HD12 LEU 77 2HD1 LEU 77 5.780 -7.724 6.823 630 HD13 LEU 77 3HD1 LEU 77 7.337 -8.453 7.201 631 HD21 LEU 77 1HD2 LEU 77 8.981 -8.957 5.360 632 HD22 LEU 77 2HD2 LEU 77 8.619 -8.512 3.696 633 HD23 LEU 77 3HD2 LEU 77 7.814 -9.901 4.431 634 H LEU 78 H LEU 78 4.516 -5.584 2.320 635 HA LEU 78 HA LEU 78 2.625 -6.902 0.666 636 HB2 LEU 78 2HB LEU 78 3.201 -3.935 1.057 637 HB3 LEU 78 1HB LEU 78 1.850 -4.534 0.106 638 HG LEU 78 HG LEU 78 2.205 -5.074 3.076 639 HD11 LEU 78 1HD1 LEU 78 0.531 -3.374 3.459 640 HD12 LEU 78 2HD1 LEU 78 0.383 -3.054 1.732 641 HD13 LEU 78 3HD1 LEU 78 1.881 -2.666 2.582 642 HD21 LEU 78 1HD2 LEU 78 -0.143 -5.808 2.989 643 HD22 LEU 78 2HD2 LEU 78 0.873 -6.797 1.946 644 HD23 LEU 78 3HD2 LEU 78 -0.170 -5.558 1.242 645 H LYS 79 H LYS 79 5.384 -4.776 -0.026 646 HA LYS 79 HA LYS 79 5.047 -4.321 -2.740 647 HB2 LYS 79 2HB LYS 79 6.764 -3.235 -1.268 648 HB3 LYS 79 1HB LYS 79 7.688 -4.732 -1.273 649 HG2 LYS 79 2HG LYS 79 7.933 -4.502 -3.766 650 HG3 LYS 79 1HG LYS 79 7.127 -2.931 -3.652 651 HD2 LYS 79 2HD LYS 79 8.967 -2.237 -2.013 652 HD3 LYS 79 1HD LYS 79 9.793 -3.742 -2.433 653 HE2 LYS 79 2HE LYS 79 10.708 -1.897 -3.733 654 HE3 LYS 79 1HE LYS 79 9.863 -3.013 -4.811 655 HZ1 LYS 79 1HZ LYS 79 8.665 -0.524 -3.722 656 HZ2 LYS 79 2HZ LYS 79 8.004 -1.544 -4.898 657 HZ3 LYS 79 3HZ LYS 79 9.391 -0.643 -5.245 658 H GLY 80 H GLY 80 6.963 -6.920 -1.174 659 HA2 GLY 80 2HA GLY 80 7.635 -8.358 -3.521 660 HA3 GLY 80 1HA GLY 80 7.659 -8.995 -1.884 661 H LEU 81 H LEU 81 5.048 -8.957 -1.118 662 HA LEU 81 HA LEU 81 4.084 -11.380 -2.189 663 HB2 LEU 81 2HB LEU 81 3.748 -10.382 0.143 664 HB3 LEU 81 1HB LEU 81 2.488 -9.376 -0.536 665 HG LEU 81 HG LEU 81 2.376 -12.432 -0.535 666 HD11 LEU 81 1HD1 LEU 81 0.869 -12.265 1.396 667 HD12 LEU 81 2HD1 LEU 81 1.134 -10.520 1.470 668 HD13 LEU 81 3HD1 LEU 81 2.472 -11.634 1.769 669 HD21 LEU 81 1HD2 LEU 81 0.881 -11.448 -2.206 670 HD22 LEU 81 2HD2 LEU 81 0.162 -10.398 -0.985 671 HD23 LEU 81 3HD2 LEU 81 -0.051 -12.147 -0.881 672 H LEU 82 H LEU 82 2.683 -8.100 -2.406 673 HA LEU 82 HA LEU 82 0.567 -8.753 -4.137 674 HB2 LEU 82 2HB LEU 82 1.850 -6.019 -3.745 675 HB3 LEU 82 1HB LEU 82 0.286 -6.317 -4.486 676 HG LEU 82 HG LEU 82 1.014 -6.744 -1.560 677 HD11 LEU 82 1HD1 LEU 82 -0.882 -4.750 -2.849 678 HD12 LEU 82 2HD1 LEU 82 0.691 -4.391 -2.129 679 HD13 LEU 82 3HD1 LEU 82 -0.628 -4.964 -1.113 680 HD21 LEU 82 1HD2 LEU 82 -1.327 -7.370 -1.186 681 HD22 LEU 82 2HD2 LEU 82 -0.517 -8.512 -2.254 682 HD23 LEU 82 3HD2 LEU 82 -1.630 -7.317 -2.923 683 H GLN 83 H GLN 83 3.944 -7.793 -4.799 684 HA GLN 83 HA GLN 83 3.665 -7.304 -7.578 685 HB2 GLN 83 2HB GLN 83 5.682 -6.680 -6.259 686 HB3 GLN 83 1HB GLN 83 6.100 -8.381 -6.097 687 HG2 GLN 83 2HG GLN 83 6.352 -8.519 -8.573 688 HG3 GLN 83 1HG GLN 83 6.011 -6.792 -8.681 689 HE21 GLN 83 1HE2 GLN 83 7.976 -8.321 -6.151 690 HE22 GLN 83 2HE2 GLN 83 9.466 -7.599 -6.638 691 H GLN 84 H GLN 84 4.303 -10.290 -5.749 692 HA GLN 84 HA GLN 84 4.619 -12.099 -7.895 693 HB2 GLN 84 2HB GLN 84 3.432 -12.591 -5.129 694 HB3 GLN 84 1HB GLN 84 3.915 -13.860 -6.251 695 HG2 GLN 84 2HG GLN 84 6.250 -13.103 -6.121 696 HG3 GLN 84 1HG GLN 84 5.776 -11.806 -5.027 697 HE21 GLN 84 1HE2 GLN 84 4.483 -15.104 -4.888 698 HE22 GLN 84 2HE2 GLN 84 5.211 -15.506 -3.378 699 H ARG 85 H ARG 85 1.742 -11.107 -6.080 700 HA ARG 85 HA ARG 85 -0.178 -12.636 -7.428 701 HB2 ARG 85 2HB ARG 85 -0.335 -10.089 -5.788 702 HB3 ARG 85 1HB ARG 85 -1.779 -10.779 -6.516 703 HG2 ARG 85 2HG ARG 85 -0.002 -12.446 -4.723 704 HG3 ARG 85 1HG ARG 85 -1.225 -11.365 -4.054 705 HD2 ARG 85 2HD ARG 85 -2.064 -13.672 -4.252 706 HD3 ARG 85 1HD ARG 85 -2.995 -12.553 -5.242 707 HE ARG 85 HE ARG 85 -0.884 -14.265 -6.413 708 HH11 ARG 85 1HH1 ARG 85 -4.271 -13.253 -6.371 709 HH12 ARG 85 2HH1 ARG 85 -4.664 -14.132 -7.813 710 HH21 ARG 85 1HH2 ARG 85 -1.435 -15.396 -8.282 711 HH22 ARG 85 2HH2 ARG 85 -3.059 -15.344 -8.895 712 H LEU 86 H LEU 86 0.898 -9.284 -8.021 713 HA LEU 86 HA LEU 86 -0.917 -8.663 -10.095 714 HB2 LEU 86 2HB LEU 86 1.798 -7.480 -9.388 715 HB3 LEU 86 1HB LEU 86 0.784 -6.828 -10.666 716 HG LEU 86 HG LEU 86 0.021 -6.951 -7.721 717 HD11 LEU 86 1HD1 LEU 86 0.830 -4.559 -9.405 718 HD12 LEU 86 2HD1 LEU 86 1.793 -5.312 -8.130 719 HD13 LEU 86 3HD1 LEU 86 0.276 -4.514 -7.727 720 HD21 LEU 86 1HD2 LEU 86 -1.473 -5.746 -10.071 721 HD22 LEU 86 2HD2 LEU 86 -1.907 -5.549 -8.372 722 HD23 LEU 86 3HD2 LEU 86 -1.961 -7.146 -9.111 723 H ASP 87 H ASP 87 2.211 -10.250 -10.073 724 HA ASP 87 HA ASP 87 2.746 -10.178 -12.872 725 HB2 ASP 87 2HB ASP 87 4.514 -10.624 -11.182 726 HB3 ASP 87 1HB ASP 87 3.743 -12.145 -10.748 727 H GLU 88 H GLU 88 1.343 -12.650 -10.720 728 HA GLU 88 HA GLU 88 0.815 -14.635 -12.657 729 HB2 GLU 88 2HB GLU 88 -0.570 -14.108 -9.994 730 HB3 GLU 88 1HB GLU 88 -0.709 -15.597 -10.927 731 HG2 GLU 88 2HG GLU 88 1.626 -16.118 -10.588 732 HG3 GLU 88 1HG GLU 88 1.927 -14.539 -9.864 733 H LEU 89 H LEU 89 -1.281 -12.116 -11.246 734 HA LEU 89 HA LEU 89 -3.656 -12.722 -12.616 735 HB2 LEU 89 2HB LEU 89 -2.706 -10.084 -11.414 736 HB3 LEU 89 1HB LEU 89 -4.341 -10.358 -11.998 737 HG LEU 89 HG LEU 89 -3.059 -11.923 -9.718 738 HD11 LEU 89 1HD1 LEU 89 -5.053 -9.641 -9.561 739 HD12 LEU 89 2HD1 LEU 89 -3.362 -9.589 -9.058 740 HD13 LEU 89 3HD1 LEU 89 -4.501 -10.628 -8.202 741 HD21 LEU 89 1HD2 LEU 89 -5.344 -12.728 -9.267 742 HD22 LEU 89 2HD2 LEU 89 -4.784 -13.216 -10.865 743 HD23 LEU 89 3HD2 LEU 89 -5.931 -11.882 -10.703 744 H SER 90 H SER 90 -1.017 -10.447 -13.409 745 HA SER 90 HA SER 90 -2.159 -9.377 -15.791 746 HB2 SER 90 2HB SER 90 -0.336 -8.235 -14.575 747 HB3 SER 90 1HB SER 90 0.777 -9.541 -14.970 748 HG SER 90 HG SER 90 1.189 -8.372 -16.666 749 H SER 91 H SER 91 -0.146 -12.205 -15.158 750 HA SER 91 HA SER 91 0.461 -12.861 -17.864 751 HB2 SER 91 2HB SER 91 1.737 -13.773 -15.912 752 HB3 SER 91 1HB SER 91 0.327 -14.727 -15.448 753 HG SER 91 HG SER 91 1.581 -16.063 -16.648 754 H LEU 92 H LEU 92 -2.151 -13.698 -15.632 755 HA LEU 92 HA LEU 92 -3.548 -15.503 -17.312 756 HB2 LEU 92 2HB LEU 92 -4.554 -13.819 -14.979 757 HB3 LEU 92 1HB LEU 92 -5.468 -15.114 -15.740 758 HG LEU 92 HG LEU 92 -2.826 -15.481 -14.267 759 HD11 LEU 92 1HD1 LEU 92 -4.628 -14.920 -12.713 760 HD12 LEU 92 2HD1 LEU 92 -4.116 -16.594 -12.511 761 HD13 LEU 92 3HD1 LEU 92 -5.620 -16.228 -13.363 762 HD21 LEU 92 1HD2 LEU 92 -4.671 -17.567 -15.462 763 HD22 LEU 92 2HD2 LEU 92 -3.241 -17.893 -14.480 764 HD23 LEU 92 3HD2 LEU 92 -3.066 -17.121 -16.052 765 H ILE 93 H ILE 93 -3.848 -11.985 -16.752 766 HA ILE 93 HA ILE 93 -6.024 -11.419 -18.453 767 HB ILE 93 HB ILE 93 -3.643 -9.656 -17.663 768 HG12 ILE 93 2HG1 ILE 93 -6.502 -9.683 -16.577 769 HG13 ILE 93 1HG1 ILE 93 -5.121 -10.418 -15.780 770 HG21 ILE 93 1HG2 ILE 93 -6.232 -8.772 -19.004 771 HG22 ILE 93 2HG2 ILE 93 -4.623 -8.746 -19.728 772 HG23 ILE 93 3HG2 ILE 93 -4.992 -7.692 -18.364 773 HD11 ILE 93 1HD1 ILE 93 -5.655 -8.312 -14.761 774 HD12 ILE 93 2HD1 ILE 93 -5.512 -7.476 -16.306 775 HD13 ILE 93 3HD1 ILE 93 -4.086 -8.200 -15.554 776 H GLY 94 H GLY 94 -2.550 -11.715 -19.069 777 HA2 GLY 94 2HA GLY 94 -2.437 -10.843 -21.744 778 HA3 GLY 94 1HA GLY 94 -1.302 -11.939 -20.972 779 H GLN 95 H GLN 95 -3.397 -13.928 -20.365 780 HA GLN 95 HA GLN 95 -3.386 -15.330 -22.930 781 HB2 GLN 95 2HB GLN 95 -4.293 -16.285 -20.178 782 HB3 GLN 95 1HB GLN 95 -4.080 -17.299 -21.601 783 HG2 GLN 95 2HG GLN 95 -1.891 -15.820 -20.122 784 HG3 GLN 95 1HG GLN 95 -2.214 -17.549 -20.042 785 HE21 GLN 95 1HE2 GLN 95 -1.593 -18.858 -21.791 786 HE22 GLN 95 2HE2 GLN 95 -0.527 -18.309 -23.033 787 H VAL 96 H VAL 96 -5.777 -14.019 -20.610 788 HA VAL 96 HA VAL 96 -7.988 -15.379 -21.968 789 HB VAL 96 HB VAL 96 -9.414 -14.685 -20.107 790 HG11 VAL 96 1HG1 VAL 96 -8.309 -15.899 -18.261 791 HG12 VAL 96 2HG1 VAL 96 -6.761 -15.784 -19.104 792 HG13 VAL 96 3HG1 VAL 96 -8.080 -16.722 -19.807 793 HG21 VAL 96 1HG2 VAL 96 -8.519 -12.440 -19.642 794 HG22 VAL 96 2HG2 VAL 96 -7.032 -13.139 -19.006 795 HG23 VAL 96 3HG2 VAL 96 -8.560 -13.402 -18.163 796 H LEU 97 H LEU 97 -6.781 -12.088 -21.571 797 HA LEU 97 HA LEU 97 -9.129 -10.890 -22.869 798 HB2 LEU 97 2HB LEU 97 -7.861 -9.921 -20.818 799 HB3 LEU 97 1HB LEU 97 -6.598 -9.457 -21.939 800 HG LEU 97 HG LEU 97 -9.477 -8.426 -22.046 801 HD11 LEU 97 1HD1 LEU 97 -6.998 -7.058 -20.944 802 HD12 LEU 97 2HD1 LEU 97 -8.368 -7.662 -20.008 803 HD13 LEU 97 3HD1 LEU 97 -8.594 -6.321 -21.126 804 HD21 LEU 97 1HD2 LEU 97 -7.032 -7.459 -23.572 805 HD22 LEU 97 2HD2 LEU 97 -8.620 -6.685 -23.572 806 HD23 LEU 97 3HD2 LEU 97 -8.427 -8.297 -24.255 807 H PHE 98 H PHE 98 -9.165 -10.889 -25.049 808 HA PHE 98 HA PHE 98 -6.756 -11.163 -26.673 809 HB2 PHE 98 2HB PHE 98 -9.634 -10.807 -27.607 810 HB3 PHE 98 1HB PHE 98 -8.281 -11.402 -28.562 811 HD1 PHE 98 HD1 PHE 98 -7.332 -13.687 -28.056 812 HD2 PHE 98 HD2 PHE 98 -10.926 -12.282 -26.214 813 HE1 PHE 98 HE1 PHE 98 -7.940 -15.997 -27.470 814 HE2 PHE 98 HE2 PHE 98 -11.525 -14.593 -25.629 815 HZ PHE 98 HZ PHE 98 -10.036 -16.452 -26.257 816 H GLN 99 H GLN 99 -5.693 -9.190 -26.291 817 HA GLN 99 HA GLN 99 -7.016 -6.648 -26.353 818 HB2 GLN 99 2HB GLN 99 -4.682 -5.719 -26.065 819 HB3 GLN 99 1HB GLN 99 -5.185 -6.871 -24.842 820 HG2 GLN 99 2HG GLN 99 -2.949 -7.429 -25.272 821 HG3 GLN 99 1HG GLN 99 -3.868 -8.635 -26.159 822 HE21 GLN 99 1HE2 GLN 99 -3.310 -5.319 -27.257 823 HE22 GLN 99 2HE2 GLN 99 -2.293 -5.748 -28.585 824 H GLY 100 H GLY 100 -5.569 -8.598 -28.807 825 HA2 GLY 100 2HA GLY 100 -6.148 -6.613 -30.852 826 HA3 GLY 100 1HA GLY 100 -4.437 -6.994 -30.666 827 HA PRO 101 HA PRO 101 -5.153 -10.652 -33.174 828 HB2 PRO 101 2HB PRO 101 -3.082 -12.247 -32.538 829 HB3 PRO 101 1HB PRO 101 -2.789 -10.633 -33.221 830 HG2 PRO 101 2HG PRO 101 -2.613 -11.525 -30.366 831 HG3 PRO 101 1HG PRO 101 -1.526 -10.454 -31.275 832 HD2 PRO 101 2HD PRO 101 -3.541 -9.570 -29.562 833 HD3 PRO 101 1HD PRO 101 -2.815 -8.595 -30.859 834 H SER 102 H SER 102 -4.798 -13.294 -32.793 835 HA SER 102 HA SER 102 -5.555 -15.254 -31.993 836 HB2 SER 102 2HB SER 102 -5.976 -13.792 -29.351 837 HB3 SER 102 1HB SER 102 -5.958 -15.544 -29.567 838 HG SER 102 HG SER 102 -3.753 -14.212 -30.567 839 H ALA 103 H ALA 103 -7.317 -13.355 -33.300 840 HA ALA 103 HA ALA 103 -9.774 -14.840 -33.036 841 HB1 ALA 103 1HB ALA 103 -10.126 -13.149 -31.261 842 HB2 ALA 103 2HB ALA 103 -11.248 -12.897 -32.599 843 HB3 ALA 103 3HB ALA 103 -9.831 -11.857 -32.427 844 H GLY 104 H GLY 104 -11.470 -13.755 -34.640 845 HA2 GLY 104 2HA GLY 104 -10.248 -13.515 -37.234 846 HA3 GLY 104 1HA GLY 104 -11.961 -13.384 -36.862 847 H LEU 105 H LEU 105 -12.094 -11.291 -35.154 848 HA LEU 105 HA LEU 105 -11.025 -8.946 -36.627 849 HB2 LEU 105 2HB LEU 105 -12.900 -7.675 -35.499 850 HB3 LEU 105 1HB LEU 105 -13.412 -8.887 -36.654 851 HG LEU 105 HG LEU 105 -13.867 -10.432 -34.622 852 HD11 LEU 105 1HD1 LEU 105 -13.734 -7.829 -33.067 853 HD12 LEU 105 2HD1 LEU 105 -12.666 -9.219 -32.870 854 HD13 LEU 105 3HD1 LEU 105 -14.375 -9.362 -32.467 855 HD21 LEU 105 1HD2 LEU 105 -16.100 -9.489 -34.251 856 HD22 LEU 105 2HD2 LEU 105 -15.651 -9.429 -35.953 857 HD23 LEU 105 3HD2 LEU 105 -15.586 -7.961 -34.975 858 H VAL 106 H VAL 106 -10.660 -6.995 -35.087 859 HA VAL 106 HA VAL 106 -8.903 -7.785 -32.912 860 HB VAL 106 HB VAL 106 -9.693 -4.951 -33.773 861 HG11 VAL 106 1HG1 VAL 106 -7.635 -4.247 -32.606 862 HG12 VAL 106 2HG1 VAL 106 -7.319 -5.916 -32.131 863 HG13 VAL 106 3HG1 VAL 106 -8.735 -5.076 -31.499 864 HG21 VAL 106 1HG2 VAL 106 -8.665 -6.147 -35.671 865 HG22 VAL 106 2HG2 VAL 106 -7.280 -6.580 -34.668 866 HG23 VAL 106 3HG2 VAL 106 -7.586 -4.888 -35.067 867 HA PRO 107 HA PRO 107 -12.536 -7.207 -30.114 868 HB2 PRO 107 2HB PRO 107 -11.297 -9.072 -28.233 869 HB3 PRO 107 1HB PRO 107 -12.648 -9.385 -29.340 870 HG2 PRO 107 2HG PRO 107 -10.194 -10.579 -29.592 871 HG3 PRO 107 1HG PRO 107 -11.292 -10.309 -30.965 872 HD2 PRO 107 2HD PRO 107 -8.945 -8.607 -30.069 873 HD3 PRO 107 1HD PRO 107 -9.350 -9.203 -31.702 874 H ARG 108 H ARG 108 -10.428 -5.292 -30.210 875 HA ARG 108 HA ARG 108 -9.336 -4.788 -27.606 876 HB2 ARG 108 2HB ARG 108 -8.301 -3.977 -29.756 877 HB3 ARG 108 1HB ARG 108 -9.658 -2.881 -29.975 878 HG2 ARG 108 2HG ARG 108 -9.005 -1.713 -27.861 879 HG3 ARG 108 1HG ARG 108 -7.608 -2.788 -27.735 880 HD2 ARG 108 2HD ARG 108 -6.952 -0.628 -28.695 881 HD3 ARG 108 1HD ARG 108 -6.738 -1.915 -29.883 882 HE ARG 108 HE ARG 108 -9.296 -0.694 -30.170 883 HH11 ARG 108 1HH1 ARG 108 -5.892 -0.052 -30.903 884 HH12 ARG 108 2HH1 ARG 108 -6.267 0.998 -32.230 885 HH21 ARG 108 1HH2 ARG 108 -9.740 0.663 -31.932 886 HH22 ARG 108 2HH2 ARG 108 -8.438 1.400 -32.817 887 H GLY 109 H GLY 109 -11.181 -4.967 -26.284 888 HA2 GLY 109 2HA GLY 109 -12.750 -2.557 -25.888 889 HA3 GLY 109 1HA GLY 109 -13.686 -3.955 -26.420 890 H SER 110 H SER 110 -11.025 -3.320 -24.195 891 HA SER 110 HA SER 110 -11.636 -5.412 -22.384 892 HB2 SER 110 2HB SER 110 -9.820 -3.013 -21.915 893 HB3 SER 110 1HB SER 110 -9.723 -4.598 -21.139 894 HG SER 110 HG SER 110 -8.208 -4.381 -22.828 895 H GLY 111 H GLY 111 -13.787 -5.078 -21.694 896 HA2 GLY 111 2HA GLY 111 -14.250 -3.955 -19.245 897 HA3 GLY 111 1HA GLY 111 -14.650 -2.659 -20.369 898 H GLY 112 H GLY 112 -15.645 -4.479 -22.458 899 HA2 GLY 112 2HA GLY 112 -18.134 -5.511 -21.234 900 HA3 GLY 112 1HA GLY 112 -18.242 -4.213 -22.414 901 H ILE 113 H ILE 113 -16.909 -7.478 -21.983 902 HA ILE 113 HA ILE 113 -17.198 -8.063 -24.861 903 HB ILE 113 HB ILE 113 -16.102 -9.955 -22.705 904 HG12 ILE 113 2HG1 ILE 113 -13.781 -9.256 -23.810 905 HG13 ILE 113 1HG1 ILE 113 -14.630 -7.781 -24.243 906 HG21 ILE 113 1HG2 ILE 113 -16.773 -11.056 -24.810 907 HG22 ILE 113 2HG2 ILE 113 -15.024 -11.121 -24.602 908 HG23 ILE 113 3HG2 ILE 113 -15.733 -9.963 -25.730 909 HD11 ILE 113 1HD1 ILE 113 -14.166 -8.842 -21.455 910 HD12 ILE 113 2HD1 ILE 113 -15.059 -7.367 -21.846 911 HD13 ILE 113 3HD1 ILE 113 -13.341 -7.485 -22.225 912 H GLU 114 H GLU 114 -18.518 -9.958 -25.525 913 HA GLU 114 HA GLU 114 -20.882 -10.404 -23.883 914 HB2 GLU 114 2HB GLU 114 -21.840 -11.585 -25.735 915 HB3 GLU 114 1HB GLU 114 -21.009 -10.196 -26.404 916 HG2 GLU 114 2HG GLU 114 -19.998 -13.057 -26.458 917 HG3 GLU 114 1HG GLU 114 -20.741 -12.197 -27.805 918 H GLY 115 H GLY 115 -21.552 -12.401 -23.006 919 HA2 GLY 115 2HA GLY 115 -21.330 -14.573 -22.203 920 HA3 GLY 115 1HA GLY 115 -19.745 -14.695 -22.950 921 H SER 428 H SER 428 -19.602 -15.785 -20.692 922 HA SER 428 HA SER 428 -19.378 -14.053 -18.385 923 HB2 SER 428 2HB SER 428 -20.281 -16.400 -18.268 924 HB3 SER 428 1HB SER 428 -18.659 -17.008 -18.598 925 HG SER 428 HG SER 428 -19.375 -15.342 -16.405 926 H ILE 429 H ILE 429 -17.245 -14.992 -20.875 927 HA ILE 429 HA ILE 429 -14.703 -14.852 -19.744 928 HB ILE 429 HB ILE 429 -15.024 -15.460 -22.078 929 HG12 ILE 429 2HG1 ILE 429 -12.822 -14.125 -21.323 930 HG13 ILE 429 1HG1 ILE 429 -13.056 -14.607 -22.992 931 HG21 ILE 429 1HG2 ILE 429 -15.941 -12.621 -22.592 932 HG22 ILE 429 2HG2 ILE 429 -16.926 -14.083 -22.637 933 HG23 ILE 429 3HG2 ILE 429 -15.654 -13.844 -23.833 934 HD11 ILE 429 1HD1 ILE 429 -12.148 -12.353 -22.788 935 HD12 ILE 429 2HD1 ILE 429 -13.570 -11.842 -21.881 936 HD13 ILE 429 3HD1 ILE 429 -13.730 -12.332 -23.569 937 H ASP 430 H ASP 430 -16.967 -12.269 -20.560 938 HA ASP 430 HA ASP 430 -15.515 -9.961 -20.104 939 HB2 ASP 430 2HB ASP 430 -17.802 -9.916 -20.945 940 HB3 ASP 430 1HB ASP 430 -18.426 -10.617 -19.458 941 H GLU 431 H GLU 431 -17.177 -12.052 -17.770 942 HA GLU 431 HA GLU 431 -16.835 -10.356 -15.510 943 HB2 GLU 431 2HB GLU 431 -17.570 -13.320 -15.589 944 HB3 GLU 431 1HB GLU 431 -17.780 -12.232 -14.215 945 HG2 GLU 431 2HG GLU 431 -19.354 -10.854 -15.603 946 HG3 GLU 431 1HG GLU 431 -19.206 -12.056 -16.887 947 H THR 432 H THR 432 -15.179 -13.397 -16.558 948 HA THR 432 HA THR 432 -13.482 -13.531 -14.274 949 HB THR 432 HB THR 432 -13.893 -15.532 -15.647 950 HG1 THR 432 HG1 THR 432 -11.824 -16.332 -15.461 951 HG21 THR 432 1HG2 THR 432 -13.853 -14.536 -17.901 952 HG22 THR 432 2HG2 THR 432 -12.726 -15.891 -17.788 953 HG23 THR 432 3HG2 THR 432 -12.123 -14.233 -17.745 954 H VAL 433 H VAL 433 -12.975 -12.100 -17.521 955 HA VAL 433 HA VAL 433 -10.338 -11.171 -17.142 956 HB VAL 433 HB VAL 433 -12.586 -10.039 -18.879 957 HG11 VAL 433 1HG1 VAL 433 -10.994 -8.218 -18.443 958 HG12 VAL 433 2HG1 VAL 433 -10.851 -8.760 -20.114 959 HG13 VAL 433 3HG1 VAL 433 -9.644 -9.251 -18.924 960 HG21 VAL 433 1HG2 VAL 433 -11.389 -11.123 -20.745 961 HG22 VAL 433 2HG2 VAL 433 -11.832 -12.303 -19.510 962 HG23 VAL 433 3HG2 VAL 433 -10.168 -11.729 -19.623 963 H ALA 434 H ALA 434 -13.492 -9.771 -16.323 964 HA ALA 434 HA ALA 434 -12.599 -7.256 -15.382 965 HB1 ALA 434 1HB ALA 434 -15.114 -8.785 -14.623 966 HB2 ALA 434 2HB ALA 434 -14.939 -7.706 -16.006 967 HB3 ALA 434 3HB ALA 434 -14.828 -7.055 -14.372 968 H ARG 435 H ARG 435 -12.828 -10.431 -13.810 969 HA ARG 435 HA ARG 435 -12.500 -9.550 -11.107 970 HB2 ARG 435 2HB ARG 435 -11.734 -12.246 -12.328 971 HB3 ARG 435 1HB ARG 435 -11.853 -11.905 -10.607 972 HG2 ARG 435 2HG ARG 435 -14.120 -11.993 -12.608 973 HG3 ARG 435 1HG ARG 435 -13.795 -13.142 -11.316 974 HD2 ARG 435 2HD ARG 435 -14.263 -11.369 -9.643 975 HD3 ARG 435 1HD ARG 435 -14.630 -10.240 -10.954 976 HE ARG 435 HE ARG 435 -16.196 -12.638 -10.216 977 HH11 ARG 435 1HH1 ARG 435 -16.053 -9.555 -11.918 978 HH12 ARG 435 2HH1 ARG 435 -17.750 -9.557 -12.283 979 HH21 ARG 435 1HH2 ARG 435 -18.398 -12.624 -10.708 980 HH22 ARG 435 2HH2 ARG 435 -19.076 -11.296 -11.596 981 H TYR 436 H TYR 436 -10.250 -10.846 -13.546 982 HA TYR 436 HA TYR 436 -7.886 -10.595 -11.994 983 HB2 TYR 436 2HB TYR 436 -8.229 -10.802 -15.015 984 HB3 TYR 436 1HB TYR 436 -6.688 -10.953 -14.175 985 HD1 TYR 436 HD1 TYR 436 -7.390 -12.646 -11.850 986 HD2 TYR 436 HD2 TYR 436 -8.636 -12.979 -15.926 987 HE1 TYR 436 HE1 TYR 436 -7.733 -15.056 -11.545 988 HE2 TYR 436 HE2 TYR 436 -8.981 -15.396 -15.615 989 HH TYR 436 HH TYR 436 -9.074 -16.866 -12.568 990 H LYS 437 H LYS 437 -9.546 -8.455 -14.228 991 HA LYS 437 HA LYS 437 -7.503 -6.470 -14.473 992 HB2 LYS 437 2HB LYS 437 -9.229 -6.705 -16.195 993 HB3 LYS 437 1HB LYS 437 -10.506 -6.350 -15.036 994 HG2 LYS 437 2HG LYS 437 -9.782 -4.037 -14.849 995 HG3 LYS 437 1HG LYS 437 -8.340 -4.360 -15.822 996 HD2 LYS 437 2HD LYS 437 -9.757 -4.847 -17.791 997 HD3 LYS 437 1HD LYS 437 -11.211 -4.586 -16.822 998 HE2 LYS 437 2HE LYS 437 -10.626 -2.641 -18.266 999 HE3 LYS 437 1HE LYS 437 -10.667 -2.232 -16.549 1000 HZ1 LYS 437 1HZ LYS 437 -8.744 -1.303 -17.773 1001 HZ2 LYS 437 2HZ LYS 437 -8.174 -2.873 -18.035 1002 HZ3 LYS 437 3HZ LYS 437 -8.304 -2.269 -16.461 1003 H ALA 438 H ALA 438 -10.362 -6.877 -12.398 1004 HA ALA 438 HA ALA 438 -10.251 -4.380 -11.079 1005 HB1 ALA 438 1HB ALA 438 -11.675 -5.407 -9.362 1006 HB2 ALA 438 2HB ALA 438 -11.349 -7.008 -10.038 1007 HB3 ALA 438 3HB ALA 438 -12.233 -5.810 -10.986 1008 H GLN 439 H GLN 439 -9.112 -7.589 -9.972 1009 HA GLN 439 HA GLN 439 -7.832 -6.727 -7.633 1010 HB2 GLN 439 2HB GLN 439 -7.348 -9.174 -9.371 1011 HB3 GLN 439 1HB GLN 439 -6.617 -8.948 -7.784 1012 HG2 GLN 439 2HG GLN 439 -9.589 -9.124 -8.356 1013 HG3 GLN 439 1HG GLN 439 -8.586 -10.405 -7.677 1014 HE21 GLN 439 1HE2 GLN 439 -10.204 -7.401 -7.031 1015 HE22 GLN 439 2HE2 GLN 439 -9.957 -7.406 -5.323 1016 H PHE 440 H PHE 440 -6.625 -6.979 -10.961 1017 HA PHE 440 HA PHE 440 -3.890 -6.512 -10.400 1018 HB2 PHE 440 2HB PHE 440 -4.672 -7.410 -12.586 1019 HB3 PHE 440 1HB PHE 440 -5.417 -5.857 -12.960 1020 HD1 PHE 440 HD1 PHE 440 -2.116 -7.392 -12.075 1021 HD2 PHE 440 HD2 PHE 440 -4.134 -4.233 -14.137 1022 HE1 PHE 440 HE1 PHE 440 0.020 -6.629 -13.005 1023 HE2 PHE 440 HE2 PHE 440 -1.988 -3.480 -15.070 1024 HZ PHE 440 HZ PHE 440 0.090 -4.674 -14.500 1025 H THR 441 H THR 441 -6.349 -4.235 -11.727 1026 HA THR 441 HA THR 441 -4.795 -1.932 -11.753 1027 HB THR 441 HB THR 441 -7.828 -2.097 -11.402 1028 HG1 THR 441 HG1 THR 441 -7.792 -2.893 -13.333 1029 HG21 THR 441 1HG2 THR 441 -6.968 0.218 -11.095 1030 HG22 THR 441 2HG2 THR 441 -7.902 0.068 -12.583 1031 HG23 THR 441 3HG2 THR 441 -6.140 0.113 -12.651 1032 H GLN 442 H GLN 442 -6.864 -3.213 -9.192 1033 HA GLN 442 HA GLN 442 -6.805 -0.960 -7.460 1034 HB2 GLN 442 2HB GLN 442 -7.521 -3.881 -7.015 1035 HB3 GLN 442 1HB GLN 442 -7.658 -2.666 -5.746 1036 HG2 GLN 442 2HG GLN 442 -9.324 -1.437 -6.994 1037 HG3 GLN 442 1HG GLN 442 -9.093 -2.457 -8.411 1038 HE21 GLN 442 1HE2 GLN 442 -9.023 -4.977 -6.946 1039 HE22 GLN 442 2HE2 GLN 442 -10.631 -5.275 -6.393 1040 H LEU 443 H LEU 443 -5.039 -4.103 -7.304 1041 HA LEU 443 HA LEU 443 -3.416 -3.280 -5.065 1042 HB2 LEU 443 2HB LEU 443 -3.349 -5.683 -6.911 1043 HB3 LEU 443 1HB LEU 443 -2.064 -5.412 -5.751 1044 HG LEU 443 HG LEU 443 -3.671 -5.624 -3.874 1045 HD11 LEU 443 1HD1 LEU 443 -5.965 -6.391 -4.193 1046 HD12 LEU 443 2HD1 LEU 443 -5.791 -6.250 -5.943 1047 HD13 LEU 443 3HD1 LEU 443 -5.724 -4.808 -4.932 1048 HD21 LEU 443 1HD2 LEU 443 -2.485 -7.615 -4.665 1049 HD22 LEU 443 2HD2 LEU 443 -3.783 -7.960 -5.811 1050 HD23 LEU 443 3HD2 LEU 443 -4.093 -8.040 -4.074 1051 H ASP 444 H ASP 444 -3.198 -2.778 -8.454 1052 HA ASP 444 HA ASP 444 -0.317 -2.498 -8.653 1053 HB2 ASP 444 2HB ASP 444 -1.658 -3.316 -10.575 1054 HB3 ASP 444 1HB ASP 444 -2.527 -1.790 -10.641 1055 H THR 445 H THR 445 -3.151 -0.290 -8.678 1056 HA THR 445 HA THR 445 -1.583 2.098 -8.716 1057 HB THR 445 HB THR 445 -3.986 2.082 -9.443 1058 HG1 THR 445 HG1 THR 445 -2.856 3.917 -7.672 1059 HG21 THR 445 1HG2 THR 445 -4.639 2.007 -6.470 1060 HG22 THR 445 2HG2 THR 445 -4.986 0.719 -7.626 1061 HG23 THR 445 3HG2 THR 445 -5.790 2.281 -7.781 1062 H MET 446 H MET 446 -2.893 0.009 -6.186 1063 HA MET 446 HA MET 446 -2.185 1.539 -3.936 1064 HB2 MET 446 2HB MET 446 -3.594 -0.545 -3.816 1065 HB3 MET 446 1HB MET 446 -2.159 -1.514 -4.143 1066 HG2 MET 446 2HG MET 446 -1.123 -0.649 -2.065 1067 HG3 MET 446 1HG MET 446 -2.583 0.286 -1.739 1068 HE1 MET 446 1HE MET 446 -2.838 -0.710 0.659 1069 HE2 MET 446 2HE MET 446 -1.349 -1.637 0.449 1070 HE3 MET 446 3HE MET 446 -2.813 -2.433 1.024 1071 H MET 447 H MET 447 -0.358 -0.756 -5.957 1072 HA MET 447 HA MET 447 1.979 -0.847 -4.371 1073 HB2 MET 447 2HB MET 447 1.578 -2.629 -5.936 1074 HB3 MET 447 1HB MET 447 1.586 -1.525 -7.304 1075 HG2 MET 447 2HG MET 447 3.926 -1.260 -7.235 1076 HG3 MET 447 1HG MET 447 4.040 -1.799 -5.561 1077 HE1 MET 447 1HE MET 447 4.007 -4.259 -4.777 1078 HE2 MET 447 2HE MET 447 3.606 -5.618 -5.819 1079 HE3 MET 447 3HE MET 447 2.378 -4.416 -5.439 1080 H SER 448 H SER 448 1.173 1.141 -7.230 1081 HA SER 448 HA SER 448 3.691 2.376 -7.526 1082 HB2 SER 448 2HB SER 448 2.380 4.136 -8.810 1083 HB3 SER 448 1HB SER 448 2.117 2.477 -9.345 1084 HG SER 448 HG SER 448 0.099 3.066 -9.123 1085 H LYS 449 H LYS 449 0.783 3.356 -5.725 1086 HA LYS 449 HA LYS 449 1.878 5.742 -4.639 1087 HB2 LYS 449 2HB LYS 449 -0.435 4.015 -3.695 1088 HB3 LYS 449 1HB LYS 449 -0.010 5.562 -2.964 1089 HG2 LYS 449 2HG LYS 449 -0.371 6.669 -5.181 1090 HG3 LYS 449 1HG LYS 449 -0.898 5.112 -5.833 1091 HD2 LYS 449 2HD LYS 449 -2.863 6.435 -5.244 1092 HD3 LYS 449 1HD LYS 449 -2.740 5.059 -4.149 1093 HE2 LYS 449 2HE LYS 449 -1.710 6.563 -2.433 1094 HE3 LYS 449 1HE LYS 449 -1.945 7.926 -3.532 1095 HZ1 LYS 449 1HZ LYS 449 -3.723 7.839 -1.945 1096 HZ2 LYS 449 2HZ LYS 449 -4.085 6.237 -2.341 1097 HZ3 LYS 449 3HZ LYS 449 -4.341 7.465 -3.473 1098 H LEU 450 H LEU 450 1.772 2.370 -3.383 1099 HA LEU 450 HA LEU 450 2.810 3.138 -0.820 1100 HB2 LEU 450 2HB LEU 450 2.706 0.881 -0.119 1101 HB3 LEU 450 1HB LEU 450 1.288 1.188 -1.081 1102 HG LEU 450 HG LEU 450 2.517 -0.082 -2.985 1103 HD11 LEU 450 1HD1 LEU 450 4.783 -0.176 -2.076 1104 HD12 LEU 450 2HD1 LEU 450 4.146 -1.799 -2.318 1105 HD13 LEU 450 3HD1 LEU 450 4.214 -1.109 -0.693 1106 HD21 LEU 450 1HD2 LEU 450 1.733 -2.259 -2.166 1107 HD22 LEU 450 2HD2 LEU 450 0.575 -0.983 -1.807 1108 HD23 LEU 450 3HD2 LEU 450 1.617 -1.609 -0.526 1109 H ASN 451 H ASN 451 4.233 2.397 -3.831 1110 HA ASN 451 HA ASN 451 6.865 1.764 -2.859 1111 HB2 ASN 451 2HB ASN 451 6.100 1.079 -5.135 1112 HB3 ASN 451 1HB ASN 451 6.020 2.772 -5.618 1113 HD21 ASN 451 1HD2 ASN 451 7.550 2.547 -7.230 1114 HD22 ASN 451 2HD2 ASN 451 9.224 2.249 -6.924 1115 H ASN 452 H ASN 452 5.291 4.673 -4.224 1116 HA ASN 452 HA ASN 452 7.476 6.449 -3.877 1117 HB2 ASN 452 2HB ASN 452 5.572 6.916 -5.409 1118 HB3 ASN 452 1HB ASN 452 4.497 7.097 -4.025 1119 HD21 ASN 452 1HD2 ASN 452 4.506 9.059 -2.912 1120 HD22 ASN 452 2HD2 ASN 452 5.449 10.424 -3.384 1121 H THR 453 H THR 453 4.796 5.508 -1.722 1122 HA THR 453 HA THR 453 5.284 7.426 0.302 1123 HB THR 453 HB THR 453 4.042 5.874 1.870 1124 HG1 THR 453 HG1 THR 453 3.871 3.879 1.316 1125 HG21 THR 453 1HG2 THR 453 2.754 7.513 0.533 1126 HG22 THR 453 2HG2 THR 453 1.843 6.020 0.765 1127 HG23 THR 453 3HG2 THR 453 2.629 6.346 -0.781 1128 H SER 454 H SER 454 6.113 3.892 0.257 1129 HA SER 454 HA SER 454 7.711 3.766 2.487 1130 HB2 SER 454 2HB SER 454 8.815 1.769 1.416 1131 HB3 SER 454 1HB SER 454 7.051 1.744 1.302 1132 HG SER 454 HG SER 454 7.247 2.557 -0.804 1133 H SER 455 H SER 455 8.647 4.899 -0.720 1134 HA SER 455 HA SER 455 11.410 5.142 -0.378 1135 HB2 SER 455 2HB SER 455 10.313 5.418 -2.556 1136 HB3 SER 455 1HB SER 455 9.520 6.891 -1.998 1137 HG SER 455 HG SER 455 12.227 6.443 -2.636 1138 H TYR 456 H TYR 456 8.948 7.823 -0.004 1139 HA TYR 456 HA TYR 456 10.927 9.455 1.316 1140 HB2 TYR 456 2HB TYR 456 9.139 11.139 1.677 1141 HB3 TYR 456 1HB TYR 456 9.349 10.651 0.009 1142 HD1 TYR 456 HD1 TYR 456 7.190 9.364 2.863 1143 HD2 TYR 456 HD2 TYR 456 7.335 10.825 -1.153 1144 HE1 TYR 456 HE1 TYR 456 4.755 9.168 2.691 1145 HE2 TYR 456 HE2 TYR 456 4.892 10.610 -1.315 1146 HH TYR 456 HH TYR 456 3.070 9.387 -0.252 1147 H LEU 457 H LEU 457 8.785 7.075 2.506 1148 HA LEU 457 HA LEU 457 8.583 7.950 5.222 1149 HB2 LEU 457 2HB LEU 457 8.236 5.202 3.960 1150 HB3 LEU 457 1HB LEU 457 7.994 5.497 5.672 1151 HG LEU 457 HG LEU 457 6.342 6.707 3.418 1152 HD11 LEU 457 1HD1 LEU 457 5.611 4.566 5.446 1153 HD12 LEU 457 2HD1 LEU 457 5.889 4.317 3.722 1154 HD13 LEU 457 3HD1 LEU 457 4.517 5.284 4.257 1155 HD21 LEU 457 1HD2 LEU 457 6.018 6.995 6.414 1156 HD22 LEU 457 2HD2 LEU 457 4.887 7.577 5.189 1157 HD23 LEU 457 3HD2 LEU 457 6.506 8.256 5.280 1158 H THR 458 H THR 458 10.820 5.770 3.462 1159 HA THR 458 HA THR 458 12.267 5.034 5.841 1160 HB THR 458 HB THR 458 12.128 3.479 3.901 1161 HG1 THR 458 HG1 THR 458 14.843 3.748 3.999 1162 HG21 THR 458 1HG2 THR 458 12.398 5.042 2.019 1163 HG22 THR 458 2HG2 THR 458 13.624 3.774 1.954 1164 HG23 THR 458 3HG2 THR 458 14.051 5.388 2.526 1165 H GLN 459 H GLN 459 12.708 7.444 3.261 1166 HA GLN 459 HA GLN 459 15.222 8.480 4.020 1167 HB2 GLN 459 2HB GLN 459 12.802 9.971 2.906 1168 HB3 GLN 459 1HB GLN 459 14.439 10.619 2.967 1169 HG2 GLN 459 2HG GLN 459 15.197 8.878 1.416 1170 HG3 GLN 459 1HG GLN 459 13.578 8.193 1.369 1171 HE21 GLN 459 1HE2 GLN 459 12.290 10.906 1.302 1172 HE22 GLN 459 2HE2 GLN 459 12.546 11.479 -0.305 1173 H GLN 460 H GLN 460 11.939 9.450 5.006 1174 HA GLN 460 HA GLN 460 12.598 11.388 6.917 1175 HB2 GLN 460 2HB GLN 460 10.353 11.229 5.955 1176 HB3 GLN 460 1HB GLN 460 10.118 9.640 6.671 1177 HG2 GLN 460 2HG GLN 460 8.878 11.338 7.916 1178 HG3 GLN 460 1HG GLN 460 10.136 10.635 8.927 1179 HE21 GLN 460 1HE2 GLN 460 11.873 11.947 9.584 1180 HE22 GLN 460 2HE2 GLN 460 11.863 13.663 9.405 1181 H PHE 461 H PHE 461 12.097 7.872 7.262 1182 HA PHE 461 HA PHE 461 12.094 7.774 10.087 1183 HB2 PHE 461 2HB PHE 461 11.266 5.881 8.767 1184 HB3 PHE 461 1HB PHE 461 12.863 5.609 8.075 1185 HD1 PHE 461 HD1 PHE 461 11.807 6.227 11.646 1186 HD2 PHE 461 HD2 PHE 461 13.537 3.472 8.866 1187 HE1 PHE 461 HE1 PHE 461 12.339 4.693 13.484 1188 HE2 PHE 461 HE2 PHE 461 14.061 1.943 10.721 1189 HZ PHE 461 HZ PHE 461 13.469 2.556 13.031 1190 H THR 462 H THR 462 14.715 7.296 7.717 1191 HA THR 462 HA THR 462 16.762 6.666 9.528 1192 HB THR 462 HB THR 462 16.943 7.876 6.735 1193 HG1 THR 462 HG1 THR 462 16.319 5.930 6.204 1194 HG21 THR 462 1HG2 THR 462 19.090 6.447 8.360 1195 HG22 THR 462 2HG2 THR 462 19.108 8.149 7.887 1196 HG23 THR 462 3HG2 THR 462 19.224 6.892 6.656 1197 H ALA 463 H ALA 463 15.658 9.834 8.290 1198 HA ALA 463 HA ALA 463 17.758 11.353 9.576 1199 HB1 ALA 463 1HB ALA 463 16.655 12.159 7.541 1200 HB2 ALA 463 2HB ALA 463 16.479 13.322 8.857 1201 HB3 ALA 463 3HB ALA 463 15.120 12.289 8.400 1202 H MET 464 H MET 464 14.332 10.722 10.323 1203 HA MET 464 HA MET 464 14.059 12.431 12.568 1204 HB2 MET 464 2HB MET 464 12.105 11.599 11.327 1205 HB3 MET 464 1HB MET 464 12.475 9.945 11.781 1206 HG2 MET 464 2HG MET 464 12.015 10.522 14.153 1207 HG3 MET 464 1HG MET 464 11.583 12.158 13.653 1208 HE1 MET 464 1HE MET 464 8.290 11.562 11.610 1209 HE2 MET 464 2HE MET 464 9.921 11.764 10.970 1210 HE3 MET 464 3HE MET 464 9.365 12.770 12.310 1211 H ASN 465 H ASN 465 15.094 9.113 12.201 1212 HA ASN 465 HA ASN 465 15.232 8.533 15.037 1213 HB2 ASN 465 2HB ASN 465 14.666 6.765 13.385 1214 HB3 ASN 465 1HB ASN 465 16.247 6.952 12.630 1215 HD21 ASN 465 1HD2 ASN 465 16.563 4.710 13.034 1216 HD22 ASN 465 2HD2 ASN 465 17.028 4.143 14.599 1217 H LYS 466 H LYS 466 17.765 8.589 12.422 1218 HA LYS 466 HA LYS 466 19.582 9.900 14.361 1219 HB2 LYS 466 2HB LYS 466 21.527 8.719 13.378 1220 HB3 LYS 466 1HB LYS 466 20.403 7.629 14.167 1221 HG2 LYS 466 2HG LYS 466 20.370 8.018 11.163 1222 HG3 LYS 466 1HG LYS 466 21.485 6.890 11.925 1223 HD2 LYS 466 2HD LYS 466 18.458 6.757 12.256 1224 HD3 LYS 466 1HD LYS 466 19.361 5.853 11.041 1225 HE2 LYS 466 2HE LYS 466 19.799 5.608 14.035 1226 HE3 LYS 466 1HE LYS 466 18.832 4.505 13.060 1227 HZ1 LYS 466 1HZ LYS 466 20.806 3.957 11.788 1228 HZ2 LYS 466 2HZ LYS 466 21.036 3.639 13.433 1229 HZ3 LYS 466 3HZ LYS 466 21.732 5.010 12.729 1230 H SER 467 H SER 467 18.595 11.869 13.307 1231 HA SER 467 HA SER 467 19.454 12.939 10.928 1232 HB2 SER 467 2HB SER 467 18.079 14.115 12.670 1233 HB3 SER 467 1HB SER 467 19.537 14.354 13.630 1234 HG SER 467 HG SER 467 20.376 15.622 11.941 Start of MODEL 15 1 H1 MET 1 1H MET 1 -0.642 22.790 20.240 2 H2 MET 1 2H MET 1 0.755 22.710 21.182 3 H3 MET 1 3H MET 1 -0.289 21.385 21.107 4 HA MET 1 HA MET 1 1.218 22.490 18.816 5 HB2 MET 1 2HB MET 1 2.652 20.446 19.048 6 HB3 MET 1 1HB MET 1 2.777 21.521 20.429 7 HG2 MET 1 2HG MET 1 1.411 20.054 21.776 8 HG3 MET 1 1HG MET 1 1.058 19.032 20.383 9 HE1 MET 1 1HE MET 1 1.840 16.732 21.276 10 HE2 MET 1 2HE MET 1 1.881 17.551 22.840 11 HE3 MET 1 3HE MET 1 3.240 16.549 22.329 12 H THR 2 H THR 2 -0.830 22.485 17.717 13 HA THR 2 HA THR 2 -2.670 20.364 17.619 14 HB THR 2 HB THR 2 -3.596 21.590 15.588 15 HG1 THR 2 HG1 THR 2 -2.104 22.726 14.590 16 HG21 THR 2 1HG2 THR 2 -4.232 23.651 16.821 17 HG22 THR 2 2HG2 THR 2 -3.000 23.300 18.034 18 HG23 THR 2 3HG2 THR 2 -4.379 22.214 17.835 19 H SER 3 H SER 3 -0.224 21.329 15.192 20 HA SER 3 HA SER 3 -0.819 19.258 13.340 21 HB2 SER 3 2HB SER 3 1.708 20.941 13.585 22 HB3 SER 3 1HB SER 3 1.201 20.028 12.164 23 HG SER 3 HG SER 3 -0.817 21.418 12.418 24 H THR 4 H THR 4 1.216 19.432 16.159 25 HA THR 4 HA THR 4 2.832 17.120 15.583 26 HB THR 4 HB THR 4 2.429 18.621 18.204 27 HG1 THR 4 HG1 THR 4 4.747 18.854 16.625 28 HG21 THR 4 1HG2 THR 4 4.624 16.660 17.409 29 HG22 THR 4 2HG2 THR 4 3.358 16.359 18.601 30 HG23 THR 4 3HG2 THR 4 4.574 17.600 18.901 31 H VAL 5 H VAL 5 -0.146 17.719 17.519 32 HA VAL 5 HA VAL 5 -0.108 15.114 18.726 33 HB VAL 5 HB VAL 5 -1.267 16.965 19.866 34 HG11 VAL 5 1HG1 VAL 5 -2.221 18.163 17.971 35 HG12 VAL 5 2HG1 VAL 5 -3.471 17.780 19.154 36 HG13 VAL 5 3HG1 VAL 5 -3.345 16.837 17.666 37 HG21 VAL 5 1HG2 VAL 5 -3.142 14.663 19.189 38 HG22 VAL 5 2HG2 VAL 5 -3.295 15.739 20.582 39 HG23 VAL 5 3HG2 VAL 5 -1.901 14.666 20.446 40 H GLU 6 H GLU 6 -1.806 16.506 15.882 41 HA GLU 6 HA GLU 6 -3.191 14.098 15.192 42 HB2 GLU 6 2HB GLU 6 -3.505 15.125 12.948 43 HB3 GLU 6 1HB GLU 6 -3.942 16.196 14.271 44 HG2 GLU 6 2HG GLU 6 -1.706 17.325 14.008 45 HG3 GLU 6 1HG GLU 6 -1.446 16.329 12.579 46 H PHE 7 H PHE 7 -0.006 15.397 14.236 47 HA PHE 7 HA PHE 7 0.988 13.407 12.613 48 HB2 PHE 7 2HB PHE 7 2.256 15.373 13.072 49 HB3 PHE 7 1HB PHE 7 2.229 15.101 14.795 50 HD1 PHE 7 HD1 PHE 7 3.932 14.298 11.636 51 HD2 PHE 7 HD2 PHE 7 3.815 13.562 15.849 52 HE1 PHE 7 HE1 PHE 7 6.217 13.381 11.570 53 HE2 PHE 7 HE2 PHE 7 6.092 12.653 15.747 54 HZ PHE 7 HZ PHE 7 7.292 12.576 13.611 55 H ILE 8 H ILE 8 1.022 13.360 16.221 56 HA ILE 8 HA ILE 8 2.238 10.873 16.666 57 HB ILE 8 HB ILE 8 0.168 12.336 18.383 58 HG12 ILE 8 2HG1 ILE 8 3.202 12.265 18.698 59 HG13 ILE 8 1HG1 ILE 8 2.325 13.566 17.909 60 HG21 ILE 8 1HG2 ILE 8 0.982 10.991 20.306 61 HG22 ILE 8 2HG2 ILE 8 1.986 10.040 19.213 62 HG23 ILE 8 3HG2 ILE 8 0.229 9.981 19.069 63 HD11 ILE 8 1HD1 ILE 8 2.094 12.766 20.805 64 HD12 ILE 8 2HD1 ILE 8 1.153 14.038 20.018 65 HD13 ILE 8 3HD1 ILE 8 2.904 14.189 20.152 66 H ASN 9 H ASN 9 -1.262 11.611 16.839 67 HA ASN 9 HA ASN 9 -2.101 8.991 17.388 68 HB2 ASN 9 2HB ASN 9 -3.624 11.431 16.402 69 HB3 ASN 9 1HB ASN 9 -4.438 9.906 16.728 70 HD21 ASN 9 1HD2 ASN 9 -2.985 12.700 18.149 71 HD22 ASN 9 2HD2 ASN 9 -3.347 12.320 19.792 72 H ARG 10 H ARG 10 -1.790 10.709 14.297 73 HA ARG 10 HA ARG 10 -3.174 8.711 12.768 74 HB2 ARG 10 2HB ARG 10 -1.369 10.988 11.853 75 HB3 ARG 10 1HB ARG 10 -2.226 9.913 10.748 76 HG2 ARG 10 2HG ARG 10 -4.388 10.655 11.693 77 HG3 ARG 10 1HG ARG 10 -3.536 11.728 12.805 78 HD2 ARG 10 2HD ARG 10 -3.573 11.929 9.777 79 HD3 ARG 10 1HD ARG 10 -4.403 12.993 10.915 80 HE ARG 10 HE ARG 10 -1.523 12.854 11.242 81 HH11 ARG 10 1HH1 ARG 10 -4.157 14.626 9.707 82 HH12 ARG 10 2HH1 ARG 10 -3.200 16.048 9.452 83 HH21 ARG 10 1HH2 ARG 10 -0.277 14.719 10.841 84 HH22 ARG 10 2HH2 ARG 10 -1.013 16.097 10.087 85 H TRP 11 H TRP 11 0.309 9.305 13.489 86 HA TRP 11 HA TRP 11 1.346 7.261 11.821 87 HB2 TRP 11 2HB TRP 11 2.437 8.584 14.322 88 HB3 TRP 11 1HB TRP 11 3.273 7.187 13.648 89 HD1 TRP 11 HD1 TRP 11 3.467 10.787 13.491 90 HE1 TRP 11 HE1 TRP 11 4.678 11.587 11.385 91 HE3 TRP 11 HE3 TRP 11 3.333 6.477 10.734 92 HZ2 TRP 11 HZ2 TRP 11 5.502 10.584 8.922 93 HZ3 TRP 11 HZ3 TRP 11 4.369 6.490 8.495 94 HH2 TRP 11 HH2 TRP 11 5.424 8.517 7.625 95 H GLN 12 H GLN 12 0.183 7.162 15.179 96 HA GLN 12 HA GLN 12 0.577 4.472 15.774 97 HB2 GLN 12 2HB GLN 12 -0.249 6.087 17.440 98 HB3 GLN 12 1HB GLN 12 -1.764 6.261 16.560 99 HG2 GLN 12 2HG GLN 12 -2.302 3.892 17.030 100 HG3 GLN 12 1HG GLN 12 -0.779 3.732 17.911 101 HE21 GLN 12 1HE2 GLN 12 -1.871 3.151 19.809 102 HE22 GLN 12 2HE2 GLN 12 -2.757 4.293 20.754 103 H ARG 13 H ARG 13 -2.212 6.020 14.144 104 HA ARG 13 HA ARG 13 -3.707 3.692 13.641 105 HB2 ARG 13 2HB ARG 13 -3.672 6.279 12.034 106 HB3 ARG 13 1HB ARG 13 -4.903 5.030 11.914 107 HG2 ARG 13 2HG ARG 13 -4.339 6.783 14.318 108 HG3 ARG 13 1HG ARG 13 -5.721 6.892 13.233 109 HD2 ARG 13 2HD ARG 13 -6.462 4.644 13.984 110 HD3 ARG 13 1HD ARG 13 -5.105 4.582 15.113 111 HE ARG 13 HE ARG 13 -7.380 6.476 15.246 112 HH11 ARG 13 1HH1 ARG 13 -4.804 4.733 16.903 113 HH12 ARG 13 2HH1 ARG 13 -5.288 5.281 18.477 114 HH21 ARG 13 1HH2 ARG 13 -7.992 7.192 17.293 115 HH22 ARG 13 2HH2 ARG 13 -7.102 6.680 18.698 116 H ILE 14 H ILE 14 -1.125 5.249 11.770 117 HA ILE 14 HA ILE 14 -1.440 3.882 9.325 118 HB ILE 14 HB ILE 14 0.964 5.288 10.581 119 HG12 ILE 14 2HG1 ILE 14 -0.797 6.109 8.225 120 HG13 ILE 14 1HG1 ILE 14 -1.039 6.659 9.873 121 HG21 ILE 14 1HG2 ILE 14 0.840 4.200 7.746 122 HG22 ILE 14 2HG2 ILE 14 1.884 3.609 9.039 123 HG23 ILE 14 3HG2 ILE 14 2.112 5.235 8.401 124 HD11 ILE 14 1HD1 ILE 14 0.057 8.350 8.559 125 HD12 ILE 14 2HD1 ILE 14 1.362 7.241 8.145 126 HD13 ILE 14 3HD1 ILE 14 1.148 7.769 9.816 127 H ALA 15 H ALA 15 0.636 3.125 12.161 128 HA ALA 15 HA ALA 15 1.771 0.742 11.064 129 HB1 ALA 15 1HB ALA 15 2.584 0.301 13.335 130 HB2 ALA 15 2HB ALA 15 1.523 1.564 13.970 131 HB3 ALA 15 3HB ALA 15 2.847 1.985 12.882 132 H LEU 16 H LEU 16 -1.078 1.346 13.097 133 HA LEU 16 HA LEU 16 -1.828 -1.312 13.670 134 HB2 LEU 16 2HB LEU 16 -3.448 1.245 13.409 135 HB3 LEU 16 1HB LEU 16 -4.186 -0.272 13.901 136 HG LEU 16 HG LEU 16 -1.904 1.056 15.421 137 HD11 LEU 16 1HD1 LEU 16 -3.577 1.780 17.065 138 HD12 LEU 16 2HD1 LEU 16 -4.875 1.166 16.036 139 HD13 LEU 16 3HD1 LEU 16 -3.873 2.511 15.488 140 HD21 LEU 16 1HD2 LEU 16 -2.527 -0.499 17.227 141 HD22 LEU 16 2HD2 LEU 16 -2.040 -1.362 15.771 142 HD23 LEU 16 3HD2 LEU 16 -3.752 -1.230 16.184 143 H LEU 17 H LEU 17 -2.748 0.838 11.003 144 HA LEU 17 HA LEU 17 -4.596 -0.909 9.744 145 HB2 LEU 17 2HB LEU 17 -3.131 1.558 8.703 146 HB3 LEU 17 1HB LEU 17 -4.383 0.721 7.797 147 HG LEU 17 HG LEU 17 -4.841 1.994 10.526 148 HD11 LEU 17 1HD1 LEU 17 -6.007 3.809 9.365 149 HD12 LEU 17 2HD1 LEU 17 -5.550 3.122 7.803 150 HD13 LEU 17 3HD1 LEU 17 -4.308 3.736 8.898 151 HD21 LEU 17 1HD2 LEU 17 -6.817 0.883 8.508 152 HD22 LEU 17 2HD2 LEU 17 -7.228 1.722 10.008 153 HD23 LEU 17 3HD2 LEU 17 -6.391 0.176 10.071 154 H SER 18 H SER 18 -1.159 -0.126 9.125 155 HA SER 18 HA SER 18 -0.781 -1.593 6.767 156 HB2 SER 18 2HB SER 18 1.668 -1.575 7.409 157 HB3 SER 18 1HB SER 18 0.899 0.006 7.490 158 HG SER 18 HG SER 18 1.878 -1.598 9.520 159 H GLN 19 H GLN 19 -0.359 -2.556 10.170 160 HA GLN 19 HA GLN 19 0.548 -5.197 9.704 161 HB2 GLN 19 2HB GLN 19 0.722 -3.944 11.879 162 HB3 GLN 19 1HB GLN 19 -1.005 -4.182 12.125 163 HG2 GLN 19 2HG GLN 19 -0.640 -6.639 12.140 164 HG3 GLN 19 1HG GLN 19 1.088 -6.370 11.927 165 HE21 GLN 19 1HE2 GLN 19 -1.048 -4.447 14.022 166 HE22 GLN 19 2HE2 GLN 19 -0.316 -4.942 15.504 167 H SER 20 H SER 20 -2.697 -3.884 10.234 168 HA SER 20 HA SER 20 -4.137 -6.289 10.382 169 HB2 SER 20 2HB SER 20 -5.060 -3.525 9.493 170 HB3 SER 20 1HB SER 20 -6.136 -4.862 9.903 171 HG SER 20 HG SER 20 -4.253 -4.312 11.833 172 H LEU 21 H LEU 21 -3.588 -4.113 7.571 173 HA LEU 21 HA LEU 21 -5.022 -5.831 5.776 174 HB2 LEU 21 2HB LEU 21 -4.361 -4.221 4.005 175 HB3 LEU 21 1HB LEU 21 -5.162 -3.494 5.377 176 HG LEU 21 HG LEU 21 -2.783 -2.832 6.190 177 HD11 LEU 21 1HD1 LEU 21 -2.116 -3.350 3.298 178 HD12 LEU 21 2HD1 LEU 21 -1.450 -4.186 4.703 179 HD13 LEU 21 3HD1 LEU 21 -1.107 -2.477 4.455 180 HD21 LEU 21 1HD2 LEU 21 -2.796 -0.766 4.873 181 HD22 LEU 21 2HD2 LEU 21 -4.410 -1.193 5.428 182 HD23 LEU 21 3HD2 LEU 21 -3.956 -1.482 3.746 183 H LEU 22 H LEU 22 -1.686 -5.600 6.766 184 HA LEU 22 HA LEU 22 -0.454 -7.087 4.706 185 HB2 LEU 22 2HB LEU 22 0.879 -5.979 6.450 186 HB3 LEU 22 1HB LEU 22 0.167 -7.005 7.686 187 HG LEU 22 HG LEU 22 1.262 -9.003 6.579 188 HD11 LEU 22 1HD1 LEU 22 3.075 -8.642 4.977 189 HD12 LEU 22 2HD1 LEU 22 2.690 -6.922 4.902 190 HD13 LEU 22 3HD1 LEU 22 1.524 -8.118 4.324 191 HD21 LEU 22 1HD2 LEU 22 2.259 -7.966 8.549 192 HD22 LEU 22 2HD2 LEU 22 3.147 -6.830 7.529 193 HD23 LEU 22 3HD2 LEU 22 3.506 -8.557 7.451 194 H GLU 23 H GLU 23 -2.009 -8.074 7.732 195 HA GLU 23 HA GLU 23 -1.851 -10.867 7.430 196 HB2 GLU 23 2HB GLU 23 -3.872 -9.150 8.928 197 HB3 GLU 23 1HB GLU 23 -3.736 -10.901 9.106 198 HG2 GLU 23 2HG GLU 23 -1.489 -10.694 10.010 199 HG3 GLU 23 1HG GLU 23 -1.479 -8.961 9.695 200 H LEU 24 H LEU 24 -4.275 -8.519 6.356 201 HA LEU 24 HA LEU 24 -6.149 -10.390 5.301 202 HB2 LEU 24 2HB LEU 24 -5.738 -7.444 4.647 203 HB3 LEU 24 1HB LEU 24 -7.157 -8.387 4.206 204 HG LEU 24 HG LEU 24 -6.284 -7.904 7.080 205 HD11 LEU 24 1HD1 LEU 24 -8.075 -6.262 7.266 206 HD12 LEU 24 2HD1 LEU 24 -8.438 -6.434 5.550 207 HD13 LEU 24 3HD1 LEU 24 -6.888 -5.770 6.061 208 HD21 LEU 24 1HD2 LEU 24 -8.883 -9.010 5.990 209 HD22 LEU 24 2HD2 LEU 24 -8.510 -8.707 7.689 210 HD23 LEU 24 3HD2 LEU 24 -7.614 -9.934 6.800 211 H ALA 25 H ALA 25 -3.252 -8.917 3.980 212 HA ALA 25 HA ALA 25 -3.701 -9.521 1.214 213 HB1 ALA 25 1HB ALA 25 -1.074 -8.994 2.655 214 HB2 ALA 25 2HB ALA 25 -2.114 -7.767 1.931 215 HB3 ALA 25 3HB ALA 25 -1.327 -8.966 0.904 216 H GLN 26 H GLN 26 -1.835 -11.131 3.816 217 HA GLN 26 HA GLN 26 -1.021 -13.362 2.178 218 HB2 GLN 26 2HB GLN 26 -0.073 -14.298 4.239 219 HB3 GLN 26 1HB GLN 26 0.333 -12.593 4.095 220 HG2 GLN 26 2HG GLN 26 -1.551 -12.079 5.674 221 HG3 GLN 26 1HG GLN 26 -1.760 -13.811 5.904 222 HE21 GLN 26 1HE2 GLN 26 1.354 -12.142 5.611 223 HE22 GLN 26 2HE2 GLN 26 1.847 -12.450 7.231 224 H ARG 27 H ARG 27 -3.795 -12.648 4.149 225 HA ARG 27 HA ARG 27 -4.918 -15.296 4.271 226 HB2 ARG 27 2HB ARG 27 -5.946 -12.494 4.798 227 HB3 ARG 27 1HB ARG 27 -7.103 -13.808 4.671 228 HG2 ARG 27 2HG ARG 27 -4.803 -13.786 6.649 229 HG3 ARG 27 1HG ARG 27 -6.441 -13.233 7.005 230 HD2 ARG 27 2HD ARG 27 -5.609 -16.035 6.208 231 HD3 ARG 27 1HD ARG 27 -6.177 -15.509 7.798 232 HE ARG 27 HE ARG 27 -8.296 -14.856 6.432 233 HH11 ARG 27 1HH1 ARG 27 -6.366 -17.766 5.891 234 HH12 ARG 27 2HH1 ARG 27 -7.715 -18.671 5.273 235 HH21 ARG 27 1HH2 ARG 27 -10.031 -16.074 5.609 236 HH22 ARG 27 2HH2 ARG 27 -9.772 -17.716 5.117 237 H GLY 28 H GLY 28 -4.575 -13.039 1.733 238 HA2 GLY 28 2HA GLY 28 -5.253 -13.127 -0.475 239 HA3 GLY 28 1HA GLY 28 -6.189 -14.569 -0.111 240 H GLU 29 H GLU 29 -6.874 -12.064 2.037 241 HA GLU 29 HA GLU 29 -9.524 -11.633 0.914 242 HB2 GLU 29 2HB GLU 29 -8.287 -10.680 3.536 243 HB3 GLU 29 1HB GLU 29 -9.983 -10.510 3.081 244 HG2 GLU 29 2HG GLU 29 -10.188 -12.987 2.990 245 HG3 GLU 29 1HG GLU 29 -8.504 -13.122 3.486 246 H TRP 30 H TRP 30 -8.845 -10.462 -0.945 247 HA TRP 30 HA TRP 30 -7.150 -8.176 -0.824 248 HB2 TRP 30 2HB TRP 30 -8.996 -8.940 -3.122 249 HB3 TRP 30 1HB TRP 30 -7.539 -7.952 -3.208 250 HD1 TRP 30 HD1 TRP 30 -8.567 -11.261 -4.140 251 HE1 TRP 30 HE1 TRP 30 -6.632 -12.944 -4.205 252 HE3 TRP 30 HE3 TRP 30 -5.073 -8.613 -1.506 253 HZ2 TRP 30 HZ2 TRP 30 -3.990 -13.139 -3.277 254 HZ3 TRP 30 HZ3 TRP 30 -2.863 -9.620 -1.139 255 HH2 TRP 30 HH2 TRP 30 -2.331 -11.839 -2.007 256 H ASP 31 H ASP 31 -10.651 -8.578 -0.810 257 HA ASP 31 HA ASP 31 -11.406 -5.898 -1.357 258 HB2 ASP 31 2HB ASP 31 -12.896 -7.958 0.334 259 HB3 ASP 31 1HB ASP 31 -13.596 -6.507 -0.378 260 H LEU 32 H LEU 32 -10.753 -7.641 1.644 261 HA LEU 32 HA LEU 32 -11.295 -5.476 3.431 262 HB2 LEU 32 2HB LEU 32 -9.735 -8.063 3.839 263 HB3 LEU 32 1HB LEU 32 -10.200 -6.963 5.129 264 HG LEU 32 HG LEU 32 -12.106 -8.575 3.386 265 HD11 LEU 32 1HD1 LEU 32 -12.629 -9.795 5.446 266 HD12 LEU 32 2HD1 LEU 32 -11.437 -8.838 6.333 267 HD13 LEU 32 3HD1 LEU 32 -10.916 -9.929 5.047 268 HD21 LEU 32 1HD2 LEU 32 -12.764 -6.666 5.655 269 HD22 LEU 32 2HD2 LEU 32 -13.911 -7.726 4.831 270 HD23 LEU 32 3HD2 LEU 32 -13.129 -6.422 3.943 271 H LEU 33 H LEU 33 -8.356 -6.805 1.944 272 HA LEU 33 HA LEU 33 -6.336 -5.257 3.067 273 HB2 LEU 33 2HB LEU 33 -5.812 -7.095 1.571 274 HB3 LEU 33 1HB LEU 33 -6.701 -6.351 0.256 275 HG LEU 33 HG LEU 33 -4.935 -4.517 0.196 276 HD11 LEU 33 1HD1 LEU 33 -2.755 -4.955 1.233 277 HD12 LEU 33 2HD1 LEU 33 -3.432 -6.351 2.074 278 HD13 LEU 33 3HD1 LEU 33 -4.025 -4.728 2.432 279 HD21 LEU 33 1HD2 LEU 33 -4.926 -6.343 -1.430 280 HD22 LEU 33 2HD2 LEU 33 -3.950 -7.332 -0.340 281 HD23 LEU 33 3HD2 LEU 33 -3.284 -5.846 -1.024 282 H LEU 34 H LEU 34 -8.384 -4.543 0.255 283 HA LEU 34 HA LEU 34 -7.222 -1.976 -0.306 284 HB2 LEU 34 2HB LEU 34 -9.703 -3.357 -1.383 285 HB3 LEU 34 1HB LEU 34 -9.063 -1.847 -2.020 286 HG LEU 34 HG LEU 34 -7.519 -4.473 -2.013 287 HD11 LEU 34 1HD1 LEU 34 -9.067 -3.207 -4.290 288 HD12 LEU 34 2HD1 LEU 34 -9.470 -4.702 -3.442 289 HD13 LEU 34 3HD1 LEU 34 -8.006 -4.613 -4.415 290 HD21 LEU 34 1HD2 LEU 34 -6.017 -3.350 -3.603 291 HD22 LEU 34 2HD2 LEU 34 -6.050 -2.524 -2.047 292 HD23 LEU 34 3HD2 LEU 34 -6.932 -1.849 -3.420 293 H GLN 35 H GLN 35 -9.909 -3.084 1.639 294 HA GLN 35 HA GLN 35 -11.296 -0.592 1.853 295 HB2 GLN 35 2HB GLN 35 -12.333 -2.794 2.440 296 HB3 GLN 35 1HB GLN 35 -11.244 -2.933 3.816 297 HG2 GLN 35 2HG GLN 35 -13.422 -2.206 4.590 298 HG3 GLN 35 1HG GLN 35 -12.273 -0.892 4.806 299 HE21 GLN 35 1HE2 GLN 35 -13.866 -1.806 1.761 300 HE22 GLN 35 2HE2 GLN 35 -14.769 -0.344 1.599 301 H GLN 36 H GLN 36 -8.651 -2.134 3.657 302 HA GLN 36 HA GLN 36 -8.431 0.019 5.595 303 HB2 GLN 36 2HB GLN 36 -6.525 -2.302 5.076 304 HB3 GLN 36 1HB GLN 36 -6.518 -1.247 6.483 305 HG2 GLN 36 2HG GLN 36 -8.686 -3.221 5.728 306 HG3 GLN 36 1HG GLN 36 -7.512 -3.404 7.027 307 HE21 GLN 36 1HE2 GLN 36 -10.457 -3.399 7.099 308 HE22 GLN 36 2HE2 GLN 36 -10.887 -2.162 8.223 309 H GLU 37 H GLU 37 -6.971 -0.879 2.544 310 HA GLU 37 HA GLU 37 -4.623 0.478 2.251 311 HB2 GLU 37 2HB GLU 37 -5.527 -0.804 0.414 312 HB3 GLU 37 1HB GLU 37 -6.974 0.186 0.346 313 HG2 GLU 37 2HG GLU 37 -5.475 2.115 -0.402 314 HG3 GLU 37 1HG GLU 37 -4.187 0.924 -0.567 315 H VAL 38 H VAL 38 -7.848 1.875 1.633 316 HA VAL 38 HA VAL 38 -6.932 4.380 0.790 317 HB VAL 38 HB VAL 38 -9.304 5.184 1.150 318 HG11 VAL 38 1HG1 VAL 38 -8.994 2.566 -0.367 319 HG12 VAL 38 2HG1 VAL 38 -8.589 4.175 -0.971 320 HG13 VAL 38 3HG1 VAL 38 -10.267 3.767 -0.618 321 HG21 VAL 38 1HG2 VAL 38 -9.919 3.806 3.098 322 HG22 VAL 38 2HG2 VAL 38 -9.805 2.342 2.120 323 HG23 VAL 38 3HG2 VAL 38 -11.047 3.547 1.764 324 H SER 39 H SER 39 -8.073 3.351 4.002 325 HA SER 39 HA SER 39 -7.831 5.813 5.350 326 HB2 SER 39 2HB SER 39 -7.501 2.996 6.497 327 HB3 SER 39 1HB SER 39 -7.960 4.450 7.390 328 HG SER 39 HG SER 39 -9.695 2.947 6.636 329 H TYR 40 H TYR 40 -5.590 3.179 4.780 330 HA TYR 40 HA TYR 40 -3.502 3.904 6.526 331 HB2 TYR 40 2HB TYR 40 -3.773 1.627 5.790 332 HB3 TYR 40 1HB TYR 40 -3.701 2.085 4.093 333 HD1 TYR 40 HD1 TYR 40 -1.480 2.718 7.072 334 HD2 TYR 40 HD2 TYR 40 -1.802 1.184 3.094 335 HE1 TYR 40 HE1 TYR 40 0.904 2.181 7.076 336 HE2 TYR 40 HE2 TYR 40 0.595 0.647 3.104 337 HH TYR 40 HH TYR 40 2.651 1.474 4.343 338 H LEU 41 H LEU 41 -3.509 4.031 2.938 339 HA LEU 41 HA LEU 41 -1.105 5.438 2.661 340 HB2 LEU 41 2HB LEU 41 -3.426 5.103 0.723 341 HB3 LEU 41 1HB LEU 41 -1.877 5.797 0.272 342 HG LEU 41 HG LEU 41 -2.284 2.935 1.251 343 HD11 LEU 41 1HD1 LEU 41 -3.253 3.258 -0.982 344 HD12 LEU 41 2HD1 LEU 41 -1.816 2.244 -1.061 345 HD13 LEU 41 3HD1 LEU 41 -1.730 3.935 -1.566 346 HD21 LEU 41 1HD2 LEU 41 0.058 2.571 0.578 347 HD22 LEU 41 2HD2 LEU 41 -0.066 3.773 1.858 348 HD23 LEU 41 3HD2 LEU 41 0.224 4.287 0.193 349 H GLN 42 H GLN 42 -4.495 6.598 2.817 350 HA GLN 42 HA GLN 42 -3.970 9.300 2.134 351 HB2 GLN 42 2HB GLN 42 -6.247 8.205 2.188 352 HB3 GLN 42 1HB GLN 42 -6.202 8.285 3.945 353 HG2 GLN 42 2HG GLN 42 -6.104 10.761 3.815 354 HG3 GLN 42 1HG GLN 42 -6.157 10.669 2.058 355 HE21 GLN 42 1HE2 GLN 42 -8.162 8.484 2.047 356 HE22 GLN 42 2HE2 GLN 42 -9.654 9.227 2.483 357 H SER 43 H SER 43 -3.959 7.598 5.292 358 HA SER 43 HA SER 43 -3.488 9.841 6.952 359 HB2 SER 43 2HB SER 43 -2.735 6.922 7.375 360 HB3 SER 43 1HB SER 43 -2.654 8.166 8.627 361 HG SER 43 HG SER 43 -4.767 6.743 7.824 362 H ILE 44 H ILE 44 -1.223 7.666 5.276 363 HA ILE 44 HA ILE 44 1.227 8.671 6.244 364 HB ILE 44 HB ILE 44 0.574 7.501 3.494 365 HG12 ILE 44 2HG1 ILE 44 1.780 6.124 5.943 366 HG13 ILE 44 1HG1 ILE 44 0.115 5.950 5.405 367 HG21 ILE 44 1HG2 ILE 44 3.302 7.928 4.756 368 HG22 ILE 44 2HG2 ILE 44 2.662 8.756 3.334 369 HG23 ILE 44 3HG2 ILE 44 3.000 7.027 3.269 370 HD11 ILE 44 1HD1 ILE 44 1.429 4.033 4.751 371 HD12 ILE 44 2HD1 ILE 44 2.571 5.060 3.885 372 HD13 ILE 44 3HD1 ILE 44 0.904 4.915 3.319 373 H GLU 45 H GLU 45 -0.695 9.607 3.412 374 HA GLU 45 HA GLU 45 1.140 11.612 2.513 375 HB2 GLU 45 2HB GLU 45 -1.743 11.044 1.698 376 HB3 GLU 45 1HB GLU 45 -0.621 12.090 0.828 377 HG2 GLU 45 2HG GLU 45 0.820 10.226 0.275 378 HG3 GLU 45 1HG GLU 45 -0.087 9.142 1.327 379 H THR 46 H THR 46 -1.654 11.630 4.686 380 HA THR 46 HA THR 46 -2.064 14.478 4.504 381 HB THR 46 HB THR 46 -3.892 12.763 5.098 382 HG1 THR 46 HG1 THR 46 -4.576 14.790 5.286 383 HG21 THR 46 1HG2 THR 46 -2.780 13.125 7.905 384 HG22 THR 46 2HG2 THR 46 -2.723 11.630 6.975 385 HG23 THR 46 3HG2 THR 46 -4.278 12.299 7.468 386 H VAL 47 H VAL 47 -0.222 12.346 6.732 387 HA VAL 47 HA VAL 47 0.560 14.527 8.457 388 HB VAL 47 HB VAL 47 2.328 13.085 9.373 389 HG11 VAL 47 1HG1 VAL 47 -0.266 11.549 9.017 390 HG12 VAL 47 2HG1 VAL 47 0.060 12.776 10.242 391 HG13 VAL 47 3HG1 VAL 47 0.948 11.251 10.267 392 HG21 VAL 47 1HG2 VAL 47 2.699 10.777 8.575 393 HG22 VAL 47 2HG2 VAL 47 3.107 11.967 7.338 394 HG23 VAL 47 3HG2 VAL 47 1.594 11.065 7.228 395 H MET 48 H MET 48 1.776 13.149 5.434 396 HA MET 48 HA MET 48 4.134 14.827 5.322 397 HB2 MET 48 2HB MET 48 2.807 13.089 3.214 398 HB3 MET 48 1HB MET 48 4.337 13.935 2.982 399 HG2 MET 48 2HG MET 48 3.764 11.738 4.980 400 HG3 MET 48 1HG MET 48 4.795 11.644 3.551 401 HE1 MET 48 1HE MET 48 7.412 11.411 6.463 402 HE2 MET 48 2HE MET 48 6.820 10.665 4.980 403 HE3 MET 48 3HE MET 48 5.801 10.696 6.423 404 H GLU 49 H GLU 49 0.824 15.471 4.629 405 HA GLU 49 HA GLU 49 1.128 17.633 2.818 406 HB2 GLU 49 2HB GLU 49 -0.916 17.156 5.022 407 HB3 GLU 49 1HB GLU 49 -1.006 18.539 3.938 408 HG2 GLU 49 2HG GLU 49 -1.094 15.640 3.055 409 HG3 GLU 49 1HG GLU 49 -2.504 16.663 3.294 410 H LYS 50 H LYS 50 1.710 17.336 6.252 411 HA LYS 50 HA LYS 50 2.328 20.164 6.647 412 HB2 LYS 50 2HB LYS 50 2.418 17.738 8.489 413 HB3 LYS 50 1HB LYS 50 2.961 19.331 8.995 414 HG2 LYS 50 2HG LYS 50 0.154 18.715 8.038 415 HG3 LYS 50 1HG LYS 50 0.646 18.768 9.732 416 HD2 LYS 50 2HD LYS 50 1.240 21.144 9.513 417 HD3 LYS 50 1HD LYS 50 0.837 21.109 7.793 418 HE2 LYS 50 2HE LYS 50 -1.142 20.602 10.047 419 HE3 LYS 50 1HE LYS 50 -0.949 22.131 9.189 420 HZ1 LYS 50 1HZ LYS 50 -1.624 21.062 7.151 421 HZ2 LYS 50 2HZ LYS 50 -2.797 20.800 8.337 422 HZ3 LYS 50 3HZ LYS 50 -1.729 19.564 7.919 423 H GLN 51 H GLN 51 3.956 17.545 5.335 424 HA GLN 51 HA GLN 51 6.101 16.954 4.898 425 HB2 GLN 51 2HB GLN 51 6.454 19.941 5.371 426 HB3 GLN 51 1HB GLN 51 7.796 18.925 4.865 427 HG2 GLN 51 2HG GLN 51 5.215 19.156 3.294 428 HG3 GLN 51 1HG GLN 51 6.624 20.177 3.014 429 HE21 GLN 51 1HE2 GLN 51 8.477 19.273 2.089 430 HE22 GLN 51 2HE2 GLN 51 8.464 17.736 1.303 431 H THR 52 H THR 52 5.131 16.555 7.541 432 HA THR 52 HA THR 52 5.666 15.981 9.631 433 HB THR 52 HB THR 52 8.499 15.883 8.511 434 HG1 THR 52 HG1 THR 52 7.692 14.148 7.623 435 HG21 THR 52 1HG2 THR 52 9.078 14.441 10.430 436 HG22 THR 52 2HG2 THR 52 7.484 14.722 11.134 437 HG23 THR 52 3HG2 THR 52 8.627 16.057 10.970 438 HA PRO 53 HA PRO 53 6.189 20.376 10.965 439 HB2 PRO 53 2HB PRO 53 5.077 19.213 13.523 440 HB3 PRO 53 1HB PRO 53 4.524 20.626 12.594 441 HG2 PRO 53 2HG PRO 53 3.125 18.370 12.539 442 HG3 PRO 53 1HG PRO 53 3.334 19.329 11.055 443 HD2 PRO 53 2HD PRO 53 4.761 16.806 11.891 444 HD3 PRO 53 1HD PRO 53 4.112 17.267 10.299 445 HA PRO 54 HA PRO 54 10.244 19.342 12.798 446 HB2 PRO 54 2HB PRO 54 10.531 22.317 13.145 447 HB3 PRO 54 1HB PRO 54 11.583 21.164 12.291 448 HG2 PRO 54 2HG PRO 54 10.054 22.824 10.902 449 HG3 PRO 54 1HG PRO 54 10.244 21.134 10.373 450 HD2 PRO 54 2HD PRO 54 7.940 22.386 11.884 451 HD3 PRO 54 1HD PRO 54 7.903 21.291 10.480 452 H GLY 55 H GLY 55 7.710 20.947 14.483 453 HA2 GLY 55 2HA GLY 55 9.025 21.190 17.047 454 HA3 GLY 55 1HA GLY 55 7.312 21.382 16.712 455 H ILE 56 H ILE 56 9.720 18.738 16.561 456 HA ILE 56 HA ILE 56 7.877 16.918 18.021 457 HB ILE 56 HB ILE 56 10.008 16.109 15.972 458 HG12 ILE 56 2HG1 ILE 56 8.223 17.223 14.750 459 HG13 ILE 56 1HG1 ILE 56 8.131 15.499 14.431 460 HG21 ILE 56 1HG2 ILE 56 9.590 14.383 17.659 461 HG22 ILE 56 2HG2 ILE 56 8.995 13.868 16.082 462 HG23 ILE 56 3HG2 ILE 56 7.859 14.427 17.311 463 HD11 ILE 56 1HD1 ILE 56 6.338 17.109 16.244 464 HD12 ILE 56 2HD1 ILE 56 6.269 15.354 16.061 465 HD13 ILE 56 3HD1 ILE 56 5.930 16.399 14.682 466 H THR 57 H THR 57 8.690 16.746 20.068 467 HA THR 57 HA THR 57 11.483 16.975 20.743 468 HB THR 57 HB THR 57 9.679 17.587 22.353 469 HG1 THR 57 HG1 THR 57 11.264 17.210 23.683 470 HG21 THR 57 1HG2 THR 57 8.431 15.840 23.570 471 HG22 THR 57 2HG2 THR 57 9.128 14.596 22.530 472 HG23 THR 57 3HG2 THR 57 8.040 15.810 21.850 473 H ARG 58 H ARG 58 12.553 15.114 22.006 474 HA ARG 58 HA ARG 58 12.901 12.994 20.145 475 HB2 ARG 58 2HB ARG 58 14.687 12.186 21.514 476 HB3 ARG 58 1HB ARG 58 14.749 13.937 21.570 477 HG2 ARG 58 2HG ARG 58 13.653 12.146 23.763 478 HG3 ARG 58 1HG ARG 58 15.257 12.872 23.746 479 HD2 ARG 58 2HD ARG 58 12.598 14.314 23.957 480 HD3 ARG 58 1HD ARG 58 13.836 14.156 25.208 481 HE ARG 58 HE ARG 58 14.884 15.426 22.874 482 HH11 ARG 58 1HH1 ARG 58 12.941 16.093 25.747 483 HH12 ARG 58 2HH1 ARG 58 13.320 17.788 25.752 484 HH21 ARG 58 1HH2 ARG 58 15.314 17.654 22.864 485 HH22 ARG 58 2HH2 ARG 58 14.669 18.673 24.112 486 H SER 59 H SER 59 10.875 13.257 22.936 487 HA SER 59 HA SER 59 10.452 10.490 23.478 488 HB2 SER 59 2HB SER 59 9.877 12.273 25.094 489 HB3 SER 59 1HB SER 59 8.640 12.890 23.997 490 HG SER 59 HG SER 59 8.627 10.213 24.920 491 H ILE 60 H ILE 60 8.588 12.897 21.625 492 HA ILE 60 HA ILE 60 6.582 11.160 20.609 493 HB ILE 60 HB ILE 60 7.554 13.898 19.653 494 HG12 ILE 60 2HG1 ILE 60 5.099 13.146 21.314 495 HG13 ILE 60 1HG1 ILE 60 6.597 13.785 21.980 496 HG21 ILE 60 1HG2 ILE 60 5.411 14.084 18.408 497 HG22 ILE 60 2HG2 ILE 60 5.047 12.403 18.805 498 HG23 ILE 60 3HG2 ILE 60 6.431 12.787 17.781 499 HD11 ILE 60 1HD1 ILE 60 4.741 15.217 20.092 500 HD12 ILE 60 2HD1 ILE 60 6.260 15.855 20.728 501 HD13 ILE 60 3HD1 ILE 60 4.924 15.503 21.822 502 H GLN 61 H GLN 61 9.571 12.468 19.297 503 HA GLN 61 HA GLN 61 9.787 11.490 16.754 504 HB2 GLN 61 2HB GLN 61 11.397 13.014 17.693 505 HB3 GLN 61 1HB GLN 61 11.833 11.887 18.965 506 HG2 GLN 61 2HG GLN 61 12.893 10.423 17.253 507 HG3 GLN 61 1HG GLN 61 12.516 11.644 16.029 508 HE21 GLN 61 1HE2 GLN 61 13.660 13.630 16.077 509 HE22 GLN 61 2HE2 GLN 61 15.108 13.842 16.997 510 H ASP 62 H ASP 62 10.699 9.824 19.795 511 HA ASP 62 HA ASP 62 11.631 7.443 18.518 512 HB2 ASP 62 2HB ASP 62 12.456 8.182 20.733 513 HB3 ASP 62 1HB ASP 62 10.864 7.907 21.432 514 H MET 63 H MET 63 8.504 8.337 20.030 515 HA MET 63 HA MET 63 7.249 5.799 19.973 516 HB2 MET 63 2HB MET 63 5.855 8.485 19.575 517 HB3 MET 63 1HB MET 63 5.070 6.975 20.005 518 HG2 MET 63 2HG MET 63 6.405 7.012 22.141 519 HG3 MET 63 1HG MET 63 6.908 8.639 21.702 520 HE1 MET 63 1HE MET 63 3.301 10.421 21.521 521 HE2 MET 63 2HE MET 63 3.975 9.503 20.173 522 HE3 MET 63 3HE MET 63 5.001 10.605 21.097 523 H VAL 64 H VAL 64 6.831 8.504 17.699 524 HA VAL 64 HA VAL 64 5.328 7.114 15.792 525 HB VAL 64 HB VAL 64 5.639 9.003 14.293 526 HG11 VAL 64 1HG1 VAL 64 5.298 9.956 17.162 527 HG12 VAL 64 2HG1 VAL 64 4.040 9.243 16.149 528 HG13 VAL 64 3HG1 VAL 64 4.748 10.797 15.705 529 HG21 VAL 64 1HG2 VAL 64 7.147 10.876 14.788 530 HG22 VAL 64 2HG2 VAL 64 8.056 9.378 14.605 531 HG23 VAL 64 3HG2 VAL 64 7.759 10.035 16.215 532 H ALA 65 H ALA 65 8.845 7.506 16.092 533 HA ALA 65 HA ALA 65 9.512 6.491 13.518 534 HB1 ALA 65 1HB ALA 65 11.170 6.444 16.063 535 HB2 ALA 65 2HB ALA 65 11.122 7.750 14.879 536 HB3 ALA 65 3HB ALA 65 11.771 6.177 14.420 537 H GLY 66 H GLY 66 8.914 4.938 16.682 538 HA2 GLY 66 2HA GLY 66 9.427 2.253 15.971 539 HA3 GLY 66 1HA GLY 66 8.252 2.781 17.176 540 H TYR 67 H TYR 67 6.521 4.266 15.571 541 HA TYR 67 HA TYR 67 4.878 2.267 14.388 542 HB2 TYR 67 2HB TYR 67 4.701 5.299 14.355 543 HB3 TYR 67 1HB TYR 67 3.457 4.260 13.666 544 HD1 TYR 67 HD1 TYR 67 4.102 6.153 16.487 545 HD2 TYR 67 HD2 TYR 67 2.836 2.205 15.453 546 HE1 TYR 67 HE1 TYR 67 3.007 5.939 18.677 547 HE2 TYR 67 HE2 TYR 67 1.727 1.994 17.624 548 HH TYR 67 HH TYR 67 1.661 2.877 19.747 549 H ILE 68 H ILE 68 7.110 4.643 12.959 550 HA ILE 68 HA ILE 68 6.332 4.194 10.233 551 HB ILE 68 HB ILE 68 9.017 5.308 11.208 552 HG12 ILE 68 2HG1 ILE 68 6.522 6.851 10.368 553 HG13 ILE 68 1HG1 ILE 68 7.091 6.683 12.015 554 HG21 ILE 68 1HG2 ILE 68 9.081 4.536 8.862 555 HG22 ILE 68 2HG2 ILE 68 9.182 6.293 8.930 556 HG23 ILE 68 3HG2 ILE 68 7.663 5.515 8.481 557 HD11 ILE 68 1HD1 ILE 68 7.659 8.848 11.086 558 HD12 ILE 68 2HD1 ILE 68 8.576 8.071 9.795 559 HD13 ILE 68 3HD1 ILE 68 9.109 7.923 11.471 560 H LYS 69 H LYS 69 8.794 2.894 12.412 561 HA LYS 69 HA LYS 69 10.245 1.252 10.671 562 HB2 LYS 69 2HB LYS 69 10.863 1.853 13.021 563 HB3 LYS 69 1HB LYS 69 9.597 0.808 13.632 564 HG2 LYS 69 2HG LYS 69 11.871 -0.272 11.945 565 HG3 LYS 69 1HG LYS 69 12.056 -0.020 13.675 566 HD2 LYS 69 2HD LYS 69 10.039 -1.871 12.348 567 HD3 LYS 69 1HD LYS 69 11.519 -2.363 13.172 568 HE2 LYS 69 2HE LYS 69 10.654 -1.507 15.302 569 HE3 LYS 69 1HE LYS 69 9.192 -0.925 14.501 570 HZ1 LYS 69 1HZ LYS 69 8.836 -3.045 15.627 571 HZ2 LYS 69 2HZ LYS 69 10.028 -3.774 14.672 572 HZ3 LYS 69 3HZ LYS 69 8.608 -3.194 13.964 573 H GLN 70 H GLN 70 7.318 0.594 12.588 574 HA GLN 70 HA GLN 70 6.904 -2.085 11.773 575 HB2 GLN 70 2HB GLN 70 4.956 -0.019 12.853 576 HB3 GLN 70 1HB GLN 70 4.530 -1.704 12.576 577 HG2 GLN 70 2HG GLN 70 6.318 -2.372 14.204 578 HG3 GLN 70 1HG GLN 70 6.588 -0.663 14.543 579 HE21 GLN 70 1HE2 GLN 70 3.416 -2.166 13.982 580 HE22 GLN 70 2HE2 GLN 70 2.828 -1.931 15.585 581 H THR 71 H THR 71 5.714 1.007 10.436 582 HA THR 71 HA THR 71 3.885 -0.254 8.641 583 HB THR 71 HB THR 71 3.705 2.153 9.559 584 HG1 THR 71 HG1 THR 71 3.235 1.425 6.863 585 HG21 THR 71 1HG2 THR 71 5.910 3.021 8.807 586 HG22 THR 71 2HG2 THR 71 4.566 3.962 8.167 587 HG23 THR 71 3HG2 THR 71 5.405 2.808 7.129 588 H LEU 72 H LEU 72 7.232 0.829 8.387 589 HA LEU 72 HA LEU 72 7.604 0.569 5.582 590 HB2 LEU 72 2HB LEU 72 9.568 0.362 7.906 591 HB3 LEU 72 1HB LEU 72 10.080 0.260 6.228 592 HG LEU 72 HG LEU 72 8.696 2.682 7.442 593 HD11 LEU 72 1HD1 LEU 72 11.646 2.271 6.841 594 HD12 LEU 72 2HD1 LEU 72 10.911 2.354 8.445 595 HD13 LEU 72 3HD1 LEU 72 10.890 3.769 7.398 596 HD21 LEU 72 1HD2 LEU 72 8.291 2.494 5.049 597 HD22 LEU 72 2HD2 LEU 72 10.016 2.282 4.737 598 HD23 LEU 72 3HD2 LEU 72 9.412 3.815 5.369 599 H ASP 73 H ASP 73 8.096 -1.603 8.307 600 HA ASP 73 HA ASP 73 9.108 -3.880 7.081 601 HB2 ASP 73 2HB ASP 73 9.049 -3.689 9.502 602 HB3 ASP 73 1HB ASP 73 7.300 -3.517 9.510 603 H ASN 74 H ASN 74 5.682 -3.175 7.872 604 HA ASN 74 HA ASN 74 4.595 -5.492 6.692 605 HB2 ASN 74 2HB ASN 74 3.229 -2.822 7.216 606 HB3 ASN 74 1HB ASN 74 2.407 -4.350 6.914 607 HD21 ASN 74 1HD2 ASN 74 4.337 -5.883 8.637 608 HD22 ASN 74 2HD2 ASN 74 3.874 -5.475 10.244 609 H GLU 75 H GLU 75 5.044 -2.206 5.441 610 HA GLU 75 HA GLU 75 3.571 -2.577 3.016 611 HB2 GLU 75 2HB GLU 75 3.783 -0.424 4.170 612 HB3 GLU 75 1HB GLU 75 5.517 -0.410 3.883 613 HG2 GLU 75 2HG GLU 75 5.216 -0.051 1.545 614 HG3 GLU 75 1HG GLU 75 3.491 -0.411 1.637 615 H GLN 76 H GLN 76 6.893 -3.069 3.929 616 HA GLN 76 HA GLN 76 7.969 -3.398 1.275 617 HB2 GLN 76 2HB GLN 76 9.369 -2.820 3.232 618 HB3 GLN 76 1HB GLN 76 8.979 -4.363 3.982 619 HG2 GLN 76 2HG GLN 76 10.176 -5.553 2.211 620 HG3 GLN 76 1HG GLN 76 10.507 -4.030 1.384 621 HE21 GLN 76 1HE2 GLN 76 10.665 -4.485 4.900 622 HE22 GLN 76 2HE2 GLN 76 12.374 -4.282 5.014 623 H LEU 77 H LEU 77 6.550 -5.499 3.725 624 HA LEU 77 HA LEU 77 6.923 -7.969 2.307 625 HB2 LEU 77 2HB LEU 77 4.974 -7.253 4.528 626 HB3 LEU 77 1HB LEU 77 5.328 -8.886 3.981 627 HG LEU 77 HG LEU 77 7.326 -7.009 5.305 628 HD11 LEU 77 1HD1 LEU 77 5.619 -7.758 6.884 629 HD12 LEU 77 2HD1 LEU 77 7.185 -8.474 7.257 630 HD13 LEU 77 3HD1 LEU 77 5.940 -9.443 6.461 631 HD21 LEU 77 1HD2 LEU 77 8.829 -8.948 5.402 632 HD22 LEU 77 2HD2 LEU 77 8.446 -8.509 3.740 633 HD23 LEU 77 3HD2 LEU 77 7.665 -9.908 4.484 634 H LEU 78 H LEU 78 4.426 -5.467 2.364 635 HA LEU 78 HA LEU 78 2.495 -6.745 0.700 636 HB2 LEU 78 2HB LEU 78 3.144 -3.779 1.018 637 HB3 LEU 78 1HB LEU 78 1.747 -4.397 0.151 638 HG LEU 78 HG LEU 78 2.231 -4.789 3.124 639 HD11 LEU 78 1HD1 LEU 78 0.581 -3.075 3.502 640 HD12 LEU 78 2HD1 LEU 78 0.324 -2.861 1.769 641 HD13 LEU 78 3HD1 LEU 78 1.868 -2.413 2.500 642 HD21 LEU 78 1HD2 LEU 78 -0.118 -5.534 3.182 643 HD22 LEU 78 2HD2 LEU 78 0.870 -6.583 2.170 644 HD23 LEU 78 3HD2 LEU 78 -0.210 -5.402 1.422 645 H LYS 79 H LYS 79 5.293 -4.655 0.075 646 HA LYS 79 HA LYS 79 5.133 -4.289 -2.663 647 HB2 LYS 79 2HB LYS 79 6.791 -3.171 -1.185 648 HB3 LYS 79 1HB LYS 79 7.631 -4.702 -0.966 649 HG2 LYS 79 2HG LYS 79 8.079 -4.710 -3.463 650 HG3 LYS 79 1HG LYS 79 7.424 -3.068 -3.515 651 HD2 LYS 79 2HD LYS 79 9.178 -2.364 -1.861 652 HD3 LYS 79 1HD LYS 79 9.840 -4.003 -1.918 653 HE2 LYS 79 2HE LYS 79 11.146 -2.551 -3.356 654 HE3 LYS 79 1HE LYS 79 10.268 -3.710 -4.355 655 HZ1 LYS 79 1HZ LYS 79 10.189 -1.446 -5.243 656 HZ2 LYS 79 2HZ LYS 79 9.407 -0.911 -3.849 657 HZ3 LYS 79 3HZ LYS 79 8.647 -2.021 -4.866 658 H GLY 80 H GLY 80 6.831 -6.910 -0.889 659 HA2 GLY 80 2HA GLY 80 7.647 -8.402 -3.159 660 HA3 GLY 80 1HA GLY 80 7.550 -8.998 -1.512 661 H LEU 81 H LEU 81 4.899 -8.911 -0.931 662 HA LEU 81 HA LEU 81 4.054 -11.385 -2.031 663 HB2 LEU 81 2HB LEU 81 3.653 -10.438 0.303 664 HB3 LEU 81 1HB LEU 81 2.395 -9.434 -0.378 665 HG LEU 81 HG LEU 81 2.293 -12.486 -0.486 666 HD11 LEU 81 1HD1 LEU 81 1.070 -10.691 1.643 667 HD12 LEU 81 2HD1 LEU 81 2.431 -11.794 1.866 668 HD13 LEU 81 3HD1 LEU 81 0.840 -12.436 1.481 669 HD21 LEU 81 1HD2 LEU 81 -0.130 -12.180 -0.782 670 HD22 LEU 81 2HD2 LEU 81 0.770 -11.382 -2.068 671 HD23 LEU 81 3HD2 LEU 81 0.075 -10.424 -0.759 672 H LEU 82 H LEU 82 2.740 -8.077 -2.350 673 HA LEU 82 HA LEU 82 0.687 -8.794 -4.188 674 HB2 LEU 82 2HB LEU 82 1.831 -6.026 -3.648 675 HB3 LEU 82 1HB LEU 82 0.318 -6.372 -4.468 676 HG LEU 82 HG LEU 82 0.931 -6.865 -1.523 677 HD11 LEU 82 1HD1 LEU 82 -0.966 -4.887 -2.834 678 HD12 LEU 82 2HD1 LEU 82 0.564 -4.505 -2.041 679 HD13 LEU 82 3HD1 LEU 82 -0.776 -5.147 -1.097 680 HD21 LEU 82 1HD2 LEU 82 -1.633 -7.468 -3.025 681 HD22 LEU 82 2HD2 LEU 82 -1.405 -7.572 -1.279 682 HD23 LEU 82 3HD2 LEU 82 -0.513 -8.652 -2.345 683 H GLN 83 H GLN 83 4.085 -7.795 -4.615 684 HA GLN 83 HA GLN 83 4.036 -7.263 -7.390 685 HB2 GLN 83 2HB GLN 83 6.023 -6.811 -5.985 686 HB3 GLN 83 1HB GLN 83 6.267 -8.536 -5.748 687 HG2 GLN 83 2HG GLN 83 6.717 -8.778 -8.181 688 HG3 GLN 83 1HG GLN 83 6.524 -7.037 -8.373 689 HE21 GLN 83 1HE2 GLN 83 8.148 -8.556 -5.606 690 HE22 GLN 83 2HE2 GLN 83 9.725 -7.979 -6.001 691 H GLN 84 H GLN 84 4.427 -10.311 -5.601 692 HA GLN 84 HA GLN 84 4.641 -12.122 -7.745 693 HB2 GLN 84 2HB GLN 84 3.240 -12.561 -5.072 694 HB3 GLN 84 1HB GLN 84 3.766 -13.833 -6.172 695 HG2 GLN 84 2HG GLN 84 6.099 -13.242 -5.807 696 HG3 GLN 84 1HG GLN 84 5.627 -11.866 -4.816 697 HE21 GLN 84 1HE2 GLN 84 4.111 -15.069 -4.638 698 HE22 GLN 84 2HE2 GLN 84 4.683 -15.433 -3.052 699 H ARG 85 H ARG 85 1.772 -10.916 -6.010 700 HA ARG 85 HA ARG 85 -0.205 -12.354 -7.356 701 HB2 ARG 85 2HB ARG 85 -0.464 -9.583 -6.122 702 HB3 ARG 85 1HB ARG 85 -1.803 -10.650 -6.516 703 HG2 ARG 85 2HG ARG 85 0.319 -11.147 -4.416 704 HG3 ARG 85 1HG ARG 85 -1.343 -10.641 -4.123 705 HD2 ARG 85 2HD ARG 85 -1.333 -12.946 -3.653 706 HD3 ARG 85 1HD ARG 85 -2.034 -12.846 -5.265 707 HE ARG 85 HE ARG 85 -0.003 -13.697 -6.175 708 HH11 ARG 85 1HH1 ARG 85 -0.054 -13.814 -2.655 709 HH12 ARG 85 2HH1 ARG 85 1.200 -15.001 -2.570 710 HH21 ARG 85 1HH2 ARG 85 1.585 -15.271 -6.031 711 HH22 ARG 85 2HH2 ARG 85 2.126 -15.823 -4.475 712 H LEU 86 H LEU 86 1.072 -9.102 -8.046 713 HA LEU 86 HA LEU 86 -0.737 -8.451 -10.126 714 HB2 LEU 86 2HB LEU 86 1.973 -7.278 -9.376 715 HB3 LEU 86 1HB LEU 86 0.931 -6.589 -10.614 716 HG LEU 86 HG LEU 86 0.215 -6.850 -7.668 717 HD11 LEU 86 1HD1 LEU 86 0.951 -4.381 -9.269 718 HD12 LEU 86 2HD1 LEU 86 1.943 -5.164 -8.035 719 HD13 LEU 86 3HD1 LEU 86 0.416 -4.410 -7.584 720 HD21 LEU 86 1HD2 LEU 86 -1.338 -5.601 -9.952 721 HD22 LEU 86 2HD2 LEU 86 -1.745 -5.455 -8.243 722 HD23 LEU 86 3HD2 LEU 86 -1.781 -7.034 -9.018 723 H ASP 87 H ASP 87 2.488 -9.900 -10.111 724 HA ASP 87 HA ASP 87 3.004 -9.756 -12.910 725 HB2 ASP 87 2HB ASP 87 4.710 -10.185 -11.030 726 HB3 ASP 87 1HB ASP 87 4.118 -11.839 -10.964 727 H GLU 88 H GLU 88 1.563 -12.206 -10.797 728 HA GLU 88 HA GLU 88 1.051 -14.206 -12.756 729 HB2 GLU 88 2HB GLU 88 -0.261 -13.695 -10.052 730 HB3 GLU 88 1HB GLU 88 -0.507 -15.148 -11.018 731 HG2 GLU 88 2HG GLU 88 1.834 -15.771 -10.796 732 HG3 GLU 88 1HG GLU 88 2.205 -14.255 -9.978 733 H LEU 89 H LEU 89 -1.028 -11.642 -11.353 734 HA LEU 89 HA LEU 89 -3.403 -12.287 -12.750 735 HB2 LEU 89 2HB LEU 89 -2.544 -9.636 -11.499 736 HB3 LEU 89 1HB LEU 89 -4.157 -9.951 -12.118 737 HG LEU 89 HG LEU 89 -2.866 -11.396 -9.766 738 HD11 LEU 89 1HD1 LEU 89 -3.449 -9.066 -9.237 739 HD12 LEU 89 2HD1 LEU 89 -4.483 -10.196 -8.370 740 HD13 LEU 89 3HD1 LEU 89 -5.106 -9.343 -9.785 741 HD21 LEU 89 1HD2 LEU 89 -5.676 -11.673 -10.878 742 HD22 LEU 89 2HD2 LEU 89 -5.067 -12.422 -9.399 743 HD23 LEU 89 3HD2 LEU 89 -4.396 -12.886 -10.958 744 H SER 90 H SER 90 -0.705 -10.150 -13.531 745 HA SER 90 HA SER 90 -1.763 -8.898 -15.839 746 HB2 SER 90 2HB SER 90 0.266 -8.058 -14.713 747 HB3 SER 90 1HB SER 90 1.144 -9.527 -15.142 748 HG SER 90 HG SER 90 1.347 -7.526 -16.521 749 H SER 91 H SER 91 0.177 -11.860 -15.382 750 HA SER 91 HA SER 91 0.331 -12.645 -18.095 751 HB2 SER 91 2HB SER 91 1.785 -13.543 -16.266 752 HB3 SER 91 1HB SER 91 0.402 -14.424 -15.616 753 HG SER 91 HG SER 91 1.053 -14.786 -18.317 754 H LEU 92 H LEU 92 -2.086 -13.289 -15.557 755 HA LEU 92 HA LEU 92 -3.567 -15.298 -16.873 756 HB2 LEU 92 2HB LEU 92 -4.380 -13.335 -14.692 757 HB3 LEU 92 1HB LEU 92 -5.439 -14.617 -15.261 758 HG LEU 92 HG LEU 92 -2.744 -15.022 -13.909 759 HD11 LEU 92 1HD1 LEU 92 -5.538 -15.563 -12.861 760 HD12 LEU 92 2HD1 LEU 92 -4.457 -14.271 -12.335 761 HD13 LEU 92 3HD1 LEU 92 -4.025 -15.953 -12.037 762 HD21 LEU 92 1HD2 LEU 92 -4.728 -17.096 -14.891 763 HD22 LEU 92 2HD2 LEU 92 -3.287 -17.425 -13.926 764 HD23 LEU 92 3HD2 LEU 92 -3.121 -16.776 -15.553 765 H ILE 93 H ILE 93 -4.286 -11.826 -16.509 766 HA ILE 93 HA ILE 93 -6.504 -11.695 -18.254 767 HB ILE 93 HB ILE 93 -4.551 -9.453 -17.506 768 HG12 ILE 93 2HG1 ILE 93 -7.202 -10.170 -16.161 769 HG13 ILE 93 1HG1 ILE 93 -5.625 -10.639 -15.537 770 HG21 ILE 93 1HG2 ILE 93 -7.400 -9.260 -18.559 771 HG22 ILE 93 2HG2 ILE 93 -5.934 -8.820 -19.439 772 HG23 ILE 93 3HG2 ILE 93 -6.418 -7.899 -18.015 773 HD11 ILE 93 1HD1 ILE 93 -6.638 -7.822 -15.865 774 HD12 ILE 93 2HD1 ILE 93 -5.029 -8.274 -15.293 775 HD13 ILE 93 3HD1 ILE 93 -6.455 -8.721 -14.359 776 H GLY 94 H GLY 94 -3.028 -11.443 -18.760 777 HA2 GLY 94 2HA GLY 94 -2.931 -10.359 -21.342 778 HA3 GLY 94 1HA GLY 94 -1.697 -11.370 -20.605 779 H GLN 95 H GLN 95 -3.288 -13.752 -20.294 780 HA GLN 95 HA GLN 95 -2.929 -14.818 -22.974 781 HB2 GLN 95 2HB GLN 95 -3.901 -16.256 -20.469 782 HB3 GLN 95 1HB GLN 95 -3.386 -17.025 -21.963 783 HG2 GLN 95 2HG GLN 95 -1.651 -15.489 -20.018 784 HG3 GLN 95 1HG GLN 95 -1.649 -17.224 -20.293 785 HE21 GLN 95 1HE2 GLN 95 -0.669 -18.025 -22.185 786 HE22 GLN 95 2HE2 GLN 95 0.444 -17.085 -23.111 787 H VAL 96 H VAL 96 -5.676 -14.055 -20.860 788 HA VAL 96 HA VAL 96 -7.561 -15.524 -22.547 789 HB VAL 96 HB VAL 96 -9.294 -14.959 -20.878 790 HG11 VAL 96 1HG1 VAL 96 -8.406 -16.303 -19.012 791 HG12 VAL 96 2HG1 VAL 96 -6.763 -16.089 -19.625 792 HG13 VAL 96 3HG1 VAL 96 -7.951 -16.988 -20.574 793 HG21 VAL 96 1HG2 VAL 96 -7.107 -13.475 -19.365 794 HG22 VAL 96 2HG2 VAL 96 -8.733 -13.809 -18.760 795 HG23 VAL 96 3HG2 VAL 96 -8.510 -12.743 -20.148 796 H LEU 97 H LEU 97 -6.787 -12.115 -21.863 797 HA LEU 97 HA LEU 97 -9.102 -11.036 -23.193 798 HB2 LEU 97 2HB LEU 97 -7.570 -9.895 -21.401 799 HB3 LEU 97 1HB LEU 97 -6.504 -9.508 -22.735 800 HG LEU 97 HG LEU 97 -9.404 -8.557 -22.499 801 HD11 LEU 97 1HD1 LEU 97 -8.028 -7.560 -20.749 802 HD12 LEU 97 2HD1 LEU 97 -8.493 -6.353 -21.943 803 HD13 LEU 97 3HD1 LEU 97 -6.855 -7.010 -21.948 804 HD21 LEU 97 1HD2 LEU 97 -7.267 -7.668 -24.468 805 HD22 LEU 97 2HD2 LEU 97 -8.873 -6.956 -24.291 806 HD23 LEU 97 3HD2 LEU 97 -8.705 -8.619 -24.846 807 H PHE 98 H PHE 98 -9.373 -11.397 -25.311 808 HA PHE 98 HA PHE 98 -7.225 -11.675 -27.213 809 HB2 PHE 98 2HB PHE 98 -10.206 -11.267 -27.754 810 HB3 PHE 98 1HB PHE 98 -9.011 -11.868 -28.895 811 HD1 PHE 98 HD1 PHE 98 -7.856 -14.117 -28.337 812 HD2 PHE 98 HD2 PHE 98 -11.438 -12.784 -26.410 813 HE1 PHE 98 HE1 PHE 98 -8.375 -16.430 -27.682 814 HE2 PHE 98 HE2 PHE 98 -11.942 -15.100 -25.753 815 HZ PHE 98 HZ PHE 98 -10.413 -16.924 -26.390 816 H GLN 99 H GLN 99 -6.032 -9.798 -27.264 817 HA GLN 99 HA GLN 99 -7.364 -7.205 -27.708 818 HB2 GLN 99 2HB GLN 99 -4.974 -6.291 -27.316 819 HB3 GLN 99 1HB GLN 99 -5.814 -6.993 -25.946 820 HG2 GLN 99 2HG GLN 99 -3.541 -7.701 -25.837 821 HG3 GLN 99 1HG GLN 99 -4.518 -9.097 -26.264 822 HE21 GLN 99 1HE2 GLN 99 -3.464 -6.582 -28.531 823 HE22 GLN 99 2HE2 GLN 99 -2.401 -7.599 -29.429 824 H GLY 100 H GLY 100 -6.754 -9.529 -29.732 825 HA2 GLY 100 2HA GLY 100 -6.800 -8.143 -32.070 826 HA3 GLY 100 1HA GLY 100 -5.075 -8.279 -31.724 827 HA PRO 101 HA PRO 101 -5.021 -12.399 -33.387 828 HB2 PRO 101 2HB PRO 101 -3.295 -13.792 -31.798 829 HB3 PRO 101 1HB PRO 101 -2.744 -12.450 -32.821 830 HG2 PRO 101 2HG PRO 101 -3.355 -12.444 -29.885 831 HG3 PRO 101 1HG PRO 101 -1.981 -11.717 -30.747 832 HD2 PRO 101 2HD PRO 101 -4.158 -10.264 -29.957 833 HD3 PRO 101 1HD PRO 101 -3.198 -9.851 -31.397 834 H SER 102 H SER 102 -5.390 -14.741 -32.958 835 HA SER 102 HA SER 102 -6.687 -16.481 -32.336 836 HB2 SER 102 2HB SER 102 -6.608 -15.192 -29.573 837 HB3 SER 102 1HB SER 102 -7.082 -16.855 -29.922 838 HG SER 102 HG SER 102 -4.563 -15.688 -29.885 839 H ALA 103 H ALA 103 -7.871 -14.107 -33.403 840 HA ALA 103 HA ALA 103 -10.684 -14.616 -32.920 841 HB1 ALA 103 1HB ALA 103 -10.199 -12.970 -31.158 842 HB2 ALA 103 2HB ALA 103 -11.241 -12.264 -32.395 843 HB3 ALA 103 3HB ALA 103 -9.519 -11.865 -32.354 844 H GLY 104 H GLY 104 -11.957 -13.973 -34.675 845 HA2 GLY 104 2HA GLY 104 -10.785 -13.739 -37.217 846 HA3 GLY 104 1HA GLY 104 -12.478 -13.443 -36.851 847 H LEU 105 H LEU 105 -11.776 -11.296 -34.946 848 HA LEU 105 HA LEU 105 -10.747 -9.170 -36.713 849 HB2 LEU 105 2HB LEU 105 -12.476 -7.639 -35.598 850 HB3 LEU 105 1HB LEU 105 -13.067 -8.777 -36.789 851 HG LEU 105 HG LEU 105 -13.843 -10.268 -34.869 852 HD11 LEU 105 1HD1 LEU 105 -13.314 -7.834 -33.142 853 HD12 LEU 105 2HD1 LEU 105 -12.478 -9.386 -33.041 854 HD13 LEU 105 3HD1 LEU 105 -14.194 -9.288 -32.658 855 HD21 LEU 105 1HD2 LEU 105 -15.889 -8.963 -34.444 856 HD22 LEU 105 2HD2 LEU 105 -15.410 -8.898 -36.138 857 HD23 LEU 105 3HD2 LEU 105 -15.101 -7.516 -35.085 858 H VAL 106 H VAL 106 -10.615 -7.074 -35.009 859 HA VAL 106 HA VAL 106 -8.766 -7.936 -32.874 860 HB VAL 106 HB VAL 106 -9.228 -5.132 -34.014 861 HG11 VAL 106 1HG1 VAL 106 -6.980 -6.158 -32.231 862 HG12 VAL 106 2HG1 VAL 106 -8.303 -5.107 -31.721 863 HG13 VAL 106 3HG1 VAL 106 -7.117 -4.525 -32.890 864 HG21 VAL 106 1HG2 VAL 106 -7.002 -7.103 -34.682 865 HG22 VAL 106 2HG2 VAL 106 -7.115 -5.439 -35.267 866 HG23 VAL 106 3HG2 VAL 106 -8.324 -6.628 -35.752 867 HA PRO 107 HA PRO 107 -12.370 -6.711 -30.225 868 HB2 PRO 107 2HB PRO 107 -11.495 -8.711 -28.267 869 HB3 PRO 107 1HB PRO 107 -12.903 -8.769 -29.344 870 HG2 PRO 107 2HG PRO 107 -10.770 -10.457 -29.596 871 HG3 PRO 107 1HG PRO 107 -11.804 -9.989 -30.965 872 HD2 PRO 107 2HD PRO 107 -9.125 -8.829 -30.142 873 HD3 PRO 107 1HD PRO 107 -9.686 -9.340 -31.756 874 H ARG 108 H ARG 108 -9.338 -5.775 -30.137 875 HA ARG 108 HA ARG 108 -8.859 -5.017 -27.426 876 HB2 ARG 108 2HB ARG 108 -7.071 -5.156 -29.120 877 HB3 ARG 108 1HB ARG 108 -7.792 -3.857 -30.047 878 HG2 ARG 108 2HG ARG 108 -6.961 -3.274 -27.210 879 HG3 ARG 108 1HG ARG 108 -5.693 -3.475 -28.417 880 HD2 ARG 108 2HD ARG 108 -7.969 -1.468 -28.550 881 HD3 ARG 108 1HD ARG 108 -6.293 -1.108 -28.124 882 HE ARG 108 HE ARG 108 -5.672 -1.800 -30.417 883 HH11 ARG 108 1HH1 ARG 108 -9.023 -0.855 -29.900 884 HH12 ARG 108 2HH1 ARG 108 -9.286 -0.437 -31.564 885 HH21 ARG 108 1HH2 ARG 108 -6.052 -1.273 -32.603 886 HH22 ARG 108 2HH2 ARG 108 -7.608 -0.676 -33.091 887 H GLY 109 H GLY 109 -10.330 -3.858 -26.391 888 HA2 GLY 109 2HA GLY 109 -10.972 -1.175 -27.082 889 HA3 GLY 109 1HA GLY 109 -12.338 -2.240 -27.409 890 H SER 110 H SER 110 -10.507 -0.628 -24.979 891 HA SER 110 HA SER 110 -11.378 -1.901 -22.641 892 HB2 SER 110 2HB SER 110 -10.719 1.044 -23.075 893 HB3 SER 110 1HB SER 110 -10.768 0.221 -21.513 894 HG SER 110 HG SER 110 -8.742 -0.176 -21.910 895 H GLY 111 H GLY 111 -13.530 -2.416 -22.641 896 HA2 GLY 111 2HA GLY 111 -15.470 -0.485 -21.864 897 HA3 GLY 111 1HA GLY 111 -15.716 -0.946 -23.550 898 H GLY 112 H GLY 112 -15.561 -3.424 -23.889 899 HA2 GLY 112 2HA GLY 112 -16.382 -5.211 -21.849 900 HA3 GLY 112 1HA GLY 112 -17.794 -4.593 -22.702 901 H ILE 113 H ILE 113 -15.833 -7.175 -22.602 902 HA ILE 113 HA ILE 113 -15.798 -7.757 -25.488 903 HB ILE 113 HB ILE 113 -14.957 -9.642 -23.212 904 HG12 ILE 113 2HG1 ILE 113 -12.528 -8.926 -24.044 905 HG13 ILE 113 1HG1 ILE 113 -13.339 -7.465 -24.582 906 HG21 ILE 113 1HG2 ILE 113 -14.234 -9.657 -26.173 907 HG22 ILE 113 2HG2 ILE 113 -15.363 -10.757 -25.378 908 HG23 ILE 113 3HG2 ILE 113 -13.651 -10.803 -24.962 909 HD11 ILE 113 1HD1 ILE 113 -12.272 -7.162 -22.426 910 HD12 ILE 113 2HD1 ILE 113 -13.215 -8.487 -21.742 911 HD13 ILE 113 3HD1 ILE 113 -14.022 -7.006 -22.268 912 H GLU 114 H GLU 114 -17.000 -9.745 -26.261 913 HA GLU 114 HA GLU 114 -19.500 -10.234 -24.823 914 HB2 GLU 114 2HB GLU 114 -20.114 -11.694 -26.751 915 HB3 GLU 114 1HB GLU 114 -19.724 -10.058 -27.233 916 HG2 GLU 114 2HG GLU 114 -17.643 -12.233 -27.424 917 HG3 GLU 114 1HG GLU 114 -18.872 -12.064 -28.674 918 H GLY 115 H GLY 115 -20.026 -12.104 -23.732 919 HA2 GLY 115 2HA GLY 115 -19.819 -14.359 -23.056 920 HA3 GLY 115 1HA GLY 115 -18.179 -14.409 -23.690 921 H SER 428 H SER 428 -18.437 -15.484 -21.307 922 HA SER 428 HA SER 428 -18.298 -13.741 -19.054 923 HB2 SER 428 2HB SER 428 -19.044 -16.134 -18.954 924 HB3 SER 428 1HB SER 428 -17.377 -16.643 -19.222 925 HG SER 428 HG SER 428 -18.547 -15.392 -16.979 926 H ILE 429 H ILE 429 -15.970 -14.648 -21.396 927 HA ILE 429 HA ILE 429 -13.533 -14.272 -20.097 928 HB ILE 429 HB ILE 429 -13.627 -15.075 -22.387 929 HG12 ILE 429 2HG1 ILE 429 -11.563 -13.610 -21.572 930 HG13 ILE 429 1HG1 ILE 429 -11.655 -14.146 -23.239 931 HG21 ILE 429 1HG2 ILE 429 -14.183 -13.658 -24.321 932 HG22 ILE 429 2HG2 ILE 429 -14.630 -12.347 -23.227 933 HG23 ILE 429 3HG2 ILE 429 -15.545 -13.855 -23.215 934 HD11 ILE 429 1HD1 ILE 429 -12.335 -11.373 -22.236 935 HD12 ILE 429 2HD1 ILE 429 -12.394 -11.908 -23.918 936 HD13 ILE 429 3HD1 ILE 429 -10.855 -11.861 -23.063 937 H ASP 430 H ASP 430 -15.865 -11.867 -21.270 938 HA ASP 430 HA ASP 430 -14.550 -9.472 -20.747 939 HB2 ASP 430 2HB ASP 430 -16.698 -9.424 -21.821 940 HB3 ASP 430 1HB ASP 430 -17.482 -10.254 -20.486 941 H GLU 431 H GLU 431 -16.542 -11.447 -18.587 942 HA GLU 431 HA GLU 431 -16.434 -9.715 -16.348 943 HB2 GLU 431 2HB GLU 431 -17.107 -12.684 -16.419 944 HB3 GLU 431 1HB GLU 431 -17.538 -11.541 -15.150 945 HG2 GLU 431 2HG GLU 431 -18.994 -10.316 -16.711 946 HG3 GLU 431 1HG GLU 431 -18.535 -11.413 -18.014 947 H THR 432 H THR 432 -14.492 -12.576 -17.288 948 HA THR 432 HA THR 432 -13.135 -12.728 -14.765 949 HB THR 432 HB THR 432 -13.332 -14.695 -16.345 950 HG1 THR 432 HG1 THR 432 -11.174 -13.902 -14.853 951 HG21 THR 432 1HG2 THR 432 -12.619 -13.586 -18.450 952 HG22 THR 432 2HG2 THR 432 -11.654 -15.014 -18.087 953 HG23 THR 432 3HG2 THR 432 -10.991 -13.407 -17.790 954 H VAL 433 H VAL 433 -12.460 -11.146 -17.861 955 HA VAL 433 HA VAL 433 -9.888 -10.118 -17.225 956 HB VAL 433 HB VAL 433 -12.022 -9.241 -19.223 957 HG11 VAL 433 1HG1 VAL 433 -10.864 -7.176 -18.580 958 HG12 VAL 433 2HG1 VAL 433 -10.400 -7.651 -20.214 959 HG13 VAL 433 3HG1 VAL 433 -9.296 -7.938 -18.867 960 HG21 VAL 433 1HG2 VAL 433 -10.813 -11.319 -19.744 961 HG22 VAL 433 2HG2 VAL 433 -9.268 -10.478 -19.602 962 HG23 VAL 433 3HG2 VAL 433 -10.389 -10.052 -20.897 963 H ALA 434 H ALA 434 -13.177 -8.866 -16.760 964 HA ALA 434 HA ALA 434 -12.484 -6.248 -15.936 965 HB1 ALA 434 1HB ALA 434 -15.023 -7.828 -15.388 966 HB2 ALA 434 2HB ALA 434 -14.711 -6.830 -16.809 967 HB3 ALA 434 3HB ALA 434 -14.834 -6.077 -15.220 968 H ARG 435 H ARG 435 -13.276 -9.207 -14.080 969 HA ARG 435 HA ARG 435 -13.207 -7.856 -11.530 970 HB2 ARG 435 2HB ARG 435 -13.319 -10.846 -12.121 971 HB3 ARG 435 1HB ARG 435 -13.597 -10.099 -10.552 972 HG2 ARG 435 2HG ARG 435 -15.330 -9.871 -13.023 973 HG3 ARG 435 1HG ARG 435 -15.726 -10.684 -11.515 974 HD2 ARG 435 2HD ARG 435 -15.846 -8.540 -10.346 975 HD3 ARG 435 1HD ARG 435 -15.297 -7.684 -11.793 976 HE ARG 435 HE ARG 435 -17.798 -9.242 -11.884 977 HH11 ARG 435 1HH1 ARG 435 -16.253 -6.067 -11.979 978 HH12 ARG 435 2HH1 ARG 435 -17.683 -5.273 -12.554 979 HH21 ARG 435 1HH2 ARG 435 -19.641 -8.159 -12.650 980 HH22 ARG 435 2HH2 ARG 435 -19.583 -6.449 -12.931 981 H TYR 436 H TYR 436 -10.987 -9.974 -13.351 982 HA TYR 436 HA TYR 436 -8.982 -10.005 -11.276 983 HB2 TYR 436 2HB TYR 436 -8.959 -10.856 -14.186 984 HB3 TYR 436 1HB TYR 436 -7.466 -10.795 -13.255 985 HD1 TYR 436 HD1 TYR 436 -6.798 -12.766 -12.185 986 HD2 TYR 436 HD2 TYR 436 -10.964 -12.191 -12.917 987 HE1 TYR 436 HE1 TYR 436 -7.269 -15.002 -11.275 988 HE2 TYR 436 HE2 TYR 436 -11.440 -14.425 -12.009 989 HH TYR 436 HH TYR 436 -10.291 -16.553 -11.630 990 H LYS 437 H LYS 437 -9.754 -7.835 -13.950 991 HA LYS 437 HA LYS 437 -7.365 -6.235 -13.717 992 HB2 LYS 437 2HB LYS 437 -8.635 -6.089 -15.799 993 HB3 LYS 437 1HB LYS 437 -10.090 -5.583 -14.946 994 HG2 LYS 437 2HG LYS 437 -9.050 -3.448 -14.351 995 HG3 LYS 437 1HG LYS 437 -7.523 -3.955 -15.075 996 HD2 LYS 437 2HD LYS 437 -8.518 -3.939 -17.305 997 HD3 LYS 437 1HD LYS 437 -10.119 -3.615 -16.627 998 HE2 LYS 437 2HE LYS 437 -8.971 -1.587 -17.604 999 HE3 LYS 437 1HE LYS 437 -9.453 -1.406 -15.915 1000 HZ1 LYS 437 1HZ LYS 437 -7.205 -0.565 -16.375 1001 HZ2 LYS 437 2HZ LYS 437 -6.701 -2.116 -16.811 1002 HZ3 LYS 437 3HZ LYS 437 -7.194 -1.799 -15.225 1003 H ALA 438 H ALA 438 -10.535 -6.283 -12.157 1004 HA ALA 438 HA ALA 438 -10.317 -3.882 -10.691 1005 HB1 ALA 438 1HB ALA 438 -12.405 -5.174 -10.816 1006 HB2 ALA 438 2HB ALA 438 -11.944 -4.866 -9.140 1007 HB3 ALA 438 3HB ALA 438 -11.677 -6.459 -9.857 1008 H GLN 439 H GLN 439 -9.365 -7.238 -9.872 1009 HA GLN 439 HA GLN 439 -8.147 -6.609 -7.383 1010 HB2 GLN 439 2HB GLN 439 -7.555 -9.005 -9.181 1011 HB3 GLN 439 1HB GLN 439 -7.206 -8.875 -7.463 1012 HG2 GLN 439 2HG GLN 439 -9.923 -9.085 -8.770 1013 HG3 GLN 439 1HG GLN 439 -9.136 -10.274 -7.742 1014 HE21 GLN 439 1HE2 GLN 439 -10.976 -7.332 -7.832 1015 HE22 GLN 439 2HE2 GLN 439 -11.277 -7.219 -6.137 1016 H PHE 440 H PHE 440 -6.899 -6.791 -10.704 1017 HA PHE 440 HA PHE 440 -4.123 -6.658 -10.031 1018 HB2 PHE 440 2HB PHE 440 -4.813 -7.607 -12.190 1019 HB3 PHE 440 1HB PHE 440 -5.557 -6.086 -12.670 1020 HD1 PHE 440 HD1 PHE 440 -2.245 -7.575 -11.726 1021 HD2 PHE 440 HD2 PHE 440 -4.284 -4.526 -13.926 1022 HE1 PHE 440 HE1 PHE 440 -0.118 -6.859 -12.725 1023 HE2 PHE 440 HE2 PHE 440 -2.147 -3.823 -14.921 1024 HZ PHE 440 HZ PHE 440 -0.062 -4.985 -14.316 1025 H THR 441 H THR 441 -6.219 -4.204 -11.631 1026 HA THR 441 HA THR 441 -4.417 -2.094 -11.565 1027 HB THR 441 HB THR 441 -7.466 -1.914 -11.615 1028 HG1 THR 441 HG1 THR 441 -5.566 -2.663 -13.503 1029 HG21 THR 441 1HG2 THR 441 -7.130 0.207 -12.842 1030 HG22 THR 441 2HG2 THR 441 -5.385 0.076 -12.614 1031 HG23 THR 441 3HG2 THR 441 -6.443 0.300 -11.218 1032 H GLN 442 H GLN 442 -6.834 -3.050 -9.111 1033 HA GLN 442 HA GLN 442 -6.509 -0.711 -7.483 1034 HB2 GLN 442 2HB GLN 442 -7.753 -3.419 -6.924 1035 HB3 GLN 442 1HB GLN 442 -7.691 -2.141 -5.710 1036 HG2 GLN 442 2HG GLN 442 -9.016 -0.668 -7.118 1037 HG3 GLN 442 1HG GLN 442 -8.995 -1.840 -8.433 1038 HE21 GLN 442 1HE2 GLN 442 -9.515 -4.170 -6.739 1039 HE22 GLN 442 2HE2 GLN 442 -11.156 -4.041 -6.216 1040 H LEU 443 H LEU 443 -5.116 -4.035 -7.242 1041 HA LEU 443 HA LEU 443 -3.415 -3.376 -5.012 1042 HB2 LEU 443 2HB LEU 443 -3.565 -5.712 -6.922 1043 HB3 LEU 443 1HB LEU 443 -2.143 -5.537 -5.914 1044 HG LEU 443 HG LEU 443 -3.530 -5.741 -3.870 1045 HD11 LEU 443 1HD1 LEU 443 -5.640 -4.788 -4.671 1046 HD12 LEU 443 2HD1 LEU 443 -5.874 -6.368 -3.931 1047 HD13 LEU 443 3HD1 LEU 443 -5.902 -6.206 -5.689 1048 HD21 LEU 443 1HD2 LEU 443 -2.547 -7.761 -4.838 1049 HD22 LEU 443 2HD2 LEU 443 -3.974 -7.999 -5.852 1050 HD23 LEU 443 3HD2 LEU 443 -4.105 -8.126 -4.096 1051 H ASP 444 H ASP 444 -3.207 -2.735 -8.380 1052 HA ASP 444 HA ASP 444 -0.316 -2.527 -8.581 1053 HB2 ASP 444 2HB ASP 444 -1.677 -3.259 -10.525 1054 HB3 ASP 444 1HB ASP 444 -2.511 -1.714 -10.550 1055 H THR 445 H THR 445 -3.085 -0.273 -8.574 1056 HA THR 445 HA THR 445 -1.516 2.099 -8.518 1057 HB THR 445 HB THR 445 -3.903 2.128 -9.257 1058 HG1 THR 445 HG1 THR 445 -4.238 3.935 -7.311 1059 HG21 THR 445 1HG2 THR 445 -5.735 2.168 -7.634 1060 HG22 THR 445 2HG2 THR 445 -4.609 1.871 -6.310 1061 HG23 THR 445 3HG2 THR 445 -4.886 0.624 -7.528 1062 H MET 446 H MET 446 -2.817 -0.087 -6.064 1063 HA MET 446 HA MET 446 -2.078 1.310 -3.741 1064 HB2 MET 446 2HB MET 446 -3.478 -0.785 -3.738 1065 HB3 MET 446 1HB MET 446 -2.045 -1.719 -4.152 1066 HG2 MET 446 2HG MET 446 -0.989 -0.979 -2.027 1067 HG3 MET 446 1HG MET 446 -2.475 -0.121 -1.616 1068 HE1 MET 446 1HE MET 446 -2.615 -1.380 0.718 1069 HE2 MET 446 2HE MET 446 -1.101 -2.207 0.340 1070 HE3 MET 446 3HE MET 446 -2.499 -3.131 0.882 1071 H MET 447 H MET 447 -0.303 -0.987 -5.807 1072 HA MET 447 HA MET 447 2.045 -1.160 -4.274 1073 HB2 MET 447 2HB MET 447 1.610 -2.876 -5.878 1074 HB3 MET 447 1HB MET 447 1.538 -1.730 -7.209 1075 HG2 MET 447 2HG MET 447 3.837 -1.614 -7.411 1076 HG3 MET 447 1HG MET 447 4.118 -1.885 -5.694 1077 HE1 MET 447 1HE MET 447 2.523 -4.481 -5.039 1078 HE2 MET 447 2HE MET 447 4.183 -4.161 -4.530 1079 HE3 MET 447 3HE MET 447 3.772 -5.690 -5.307 1080 H SER 448 H SER 448 1.261 0.951 -7.032 1081 HA SER 448 HA SER 448 3.814 2.150 -7.294 1082 HB2 SER 448 2HB SER 448 2.527 3.944 -8.549 1083 HB3 SER 448 1HB SER 448 2.238 2.299 -9.118 1084 HG SER 448 HG SER 448 0.219 2.657 -8.744 1085 H LYS 449 H LYS 449 0.898 3.052 -5.445 1086 HA LYS 449 HA LYS 449 2.001 5.436 -4.327 1087 HB2 LYS 449 2HB LYS 449 -0.356 3.725 -3.461 1088 HB3 LYS 449 1HB LYS 449 0.110 5.209 -2.635 1089 HG2 LYS 449 2HG LYS 449 -0.154 6.417 -4.853 1090 HG3 LYS 449 1HG LYS 449 -0.853 4.926 -5.493 1091 HD2 LYS 449 2HD LYS 449 -2.633 6.475 -4.793 1092 HD3 LYS 449 1HD LYS 449 -2.639 5.028 -3.782 1093 HE2 LYS 449 2HE LYS 449 -1.517 6.217 -1.983 1094 HE3 LYS 449 1HE LYS 449 -1.336 7.651 -2.996 1095 HZ1 LYS 449 1HZ LYS 449 -3.904 6.507 -2.032 1096 HZ2 LYS 449 2HZ LYS 449 -3.753 7.841 -3.056 1097 HZ3 LYS 449 3HZ LYS 449 -3.158 7.917 -1.476 1098 H LEU 450 H LEU 450 1.941 2.038 -3.180 1099 HA LEU 450 HA LEU 450 2.929 2.777 -0.576 1100 HB2 LEU 450 2HB LEU 450 2.837 0.497 0.069 1101 HB3 LEU 450 1HB LEU 450 1.408 0.838 -0.864 1102 HG LEU 450 HG LEU 450 2.629 -0.372 -2.821 1103 HD11 LEU 450 1HD1 LEU 450 4.889 -0.517 -1.911 1104 HD12 LEU 450 2HD1 LEU 450 4.236 -2.129 -2.180 1105 HD13 LEU 450 3HD1 LEU 450 4.306 -1.469 -0.543 1106 HD21 LEU 450 1HD2 LEU 450 0.672 -1.287 -1.672 1107 HD22 LEU 450 2HD2 LEU 450 1.705 -1.968 -0.412 1108 HD23 LEU 450 3HD2 LEU 450 1.818 -2.564 -2.071 1109 H ASN 451 H ASN 451 4.328 1.969 -3.603 1110 HA ASN 451 HA ASN 451 7.000 1.450 -2.727 1111 HB2 ASN 451 2HB ASN 451 6.202 0.824 -5.013 1112 HB3 ASN 451 1HB ASN 451 6.004 2.524 -5.428 1113 HD21 ASN 451 1HD2 ASN 451 7.940 3.822 -5.673 1114 HD22 ASN 451 2HD2 ASN 451 9.456 3.076 -6.022 1115 H ASN 452 H ASN 452 5.246 4.295 -3.936 1116 HA ASN 452 HA ASN 452 7.285 6.224 -3.809 1117 HB2 ASN 452 2HB ASN 452 5.104 6.517 -5.031 1118 HB3 ASN 452 1HB ASN 452 4.276 6.648 -3.481 1119 HD21 ASN 452 1HD2 ASN 452 3.541 8.729 -3.814 1120 HD22 ASN 452 2HD2 ASN 452 4.575 10.111 -3.907 1121 H THR 453 H THR 453 4.776 5.304 -1.468 1122 HA THR 453 HA THR 453 5.363 7.224 0.492 1123 HB THR 453 HB THR 453 4.086 5.684 2.072 1124 HG1 THR 453 HG1 THR 453 3.718 3.723 1.468 1125 HG21 THR 453 1HG2 THR 453 2.856 7.395 0.754 1126 HG22 THR 453 2HG2 THR 453 1.885 5.938 0.974 1127 HG23 THR 453 3HG2 THR 453 2.678 6.247 -0.573 1128 H SER 454 H SER 454 6.118 3.667 0.531 1129 HA SER 454 HA SER 454 7.727 3.581 2.760 1130 HB2 SER 454 2HB SER 454 8.729 1.513 1.815 1131 HB3 SER 454 1HB SER 454 6.982 1.558 1.567 1132 HG SER 454 HG SER 454 7.379 2.307 -0.546 1133 H SER 455 H SER 455 8.677 4.610 -0.485 1134 HA SER 455 HA SER 455 11.466 4.719 -0.157 1135 HB2 SER 455 2HB SER 455 10.282 4.921 -2.342 1136 HB3 SER 455 1HB SER 455 9.705 6.523 -1.876 1137 HG SER 455 HG SER 455 11.564 6.681 -3.150 1138 H TYR 456 H TYR 456 9.107 7.481 0.055 1139 HA TYR 456 HA TYR 456 11.108 9.163 1.279 1140 HB2 TYR 456 2HB TYR 456 9.399 10.916 1.440 1141 HB3 TYR 456 1HB TYR 456 9.481 10.225 -0.167 1142 HD1 TYR 456 HD1 TYR 456 7.459 9.766 3.013 1143 HD2 TYR 456 HD2 TYR 456 7.426 9.920 -1.264 1144 HE1 TYR 456 HE1 TYR 456 5.010 9.616 3.020 1145 HE2 TYR 456 HE2 TYR 456 4.971 9.752 -1.244 1146 HH TYR 456 HH TYR 456 3.178 8.992 0.218 1147 H LEU 457 H LEU 457 8.892 6.903 2.561 1148 HA LEU 457 HA LEU 457 8.611 7.998 5.193 1149 HB2 LEU 457 2HB LEU 457 8.105 5.203 4.099 1150 HB3 LEU 457 1HB LEU 457 7.908 5.586 5.800 1151 HG LEU 457 HG LEU 457 6.275 6.710 3.493 1152 HD11 LEU 457 1HD1 LEU 457 5.506 4.875 5.796 1153 HD12 LEU 457 2HD1 LEU 457 5.677 4.411 4.100 1154 HD13 LEU 457 3HD1 LEU 457 4.398 5.524 4.579 1155 HD21 LEU 457 1HD2 LEU 457 4.958 7.874 5.225 1156 HD22 LEU 457 2HD2 LEU 457 6.610 8.471 5.119 1157 HD23 LEU 457 3HD2 LEU 457 6.146 7.391 6.437 1158 H THR 458 H THR 458 10.762 5.574 3.671 1159 HA THR 458 HA THR 458 12.070 4.903 6.145 1160 HB THR 458 HB THR 458 11.959 3.272 4.263 1161 HG1 THR 458 HG1 THR 458 14.096 2.529 4.559 1162 HG21 THR 458 1HG2 THR 458 12.409 4.768 2.348 1163 HG22 THR 458 2HG2 THR 458 13.521 3.398 2.380 1164 HG23 THR 458 3HG2 THR 458 14.066 4.991 2.912 1165 H GLN 459 H GLN 459 12.716 7.150 3.477 1166 HA GLN 459 HA GLN 459 15.235 8.116 4.391 1167 HB2 GLN 459 2HB GLN 459 13.055 9.470 2.762 1168 HB3 GLN 459 1HB GLN 459 14.663 10.145 2.996 1169 HG2 GLN 459 2HG GLN 459 15.659 8.250 1.816 1170 HG3 GLN 459 1HG GLN 459 14.076 7.498 1.645 1171 HE21 GLN 459 1HE2 GLN 459 12.698 10.023 0.998 1172 HE22 GLN 459 2HE2 GLN 459 13.174 10.418 -0.612 1173 H GLN 460 H GLN 460 11.895 9.277 4.993 1174 HA GLN 460 HA GLN 460 12.548 11.408 6.758 1175 HB2 GLN 460 2HB GLN 460 10.355 11.230 5.585 1176 HB3 GLN 460 1HB GLN 460 9.955 9.810 6.542 1177 HG2 GLN 460 2HG GLN 460 8.783 11.745 7.424 1178 HG3 GLN 460 1HG GLN 460 9.982 11.210 8.601 1179 HE21 GLN 460 1HE2 GLN 460 11.785 12.539 9.003 1180 HE22 GLN 460 2HE2 GLN 460 11.852 14.189 8.500 1181 H PHE 461 H PHE 461 11.974 7.984 7.227 1182 HA PHE 461 HA PHE 461 11.737 7.888 10.037 1183 HB2 PHE 461 2HB PHE 461 11.135 5.943 8.685 1184 HB3 PHE 461 1HB PHE 461 12.767 5.820 8.042 1185 HD1 PHE 461 HD1 PHE 461 11.356 6.096 11.534 1186 HD2 PHE 461 HD2 PHE 461 13.771 3.853 8.811 1187 HE1 PHE 461 HE1 PHE 461 11.915 4.506 13.316 1188 HE2 PHE 461 HE2 PHE 461 14.323 2.270 10.608 1189 HZ PHE 461 HZ PHE 461 13.395 2.596 12.864 1190 H THR 462 H THR 462 14.537 7.403 7.889 1191 HA THR 462 HA THR 462 16.430 6.953 9.946 1192 HB THR 462 HB THR 462 16.934 7.829 7.058 1193 HG1 THR 462 HG1 THR 462 15.618 5.813 7.562 1194 HG21 THR 462 1HG2 THR 462 19.093 6.665 7.294 1195 HG22 THR 462 2HG2 THR 462 18.723 6.267 8.973 1196 HG23 THR 462 3HG2 THR 462 18.972 7.948 8.500 1197 H ALA 463 H ALA 463 15.326 9.888 8.297 1198 HA ALA 463 HA ALA 463 17.471 11.575 9.261 1199 HB1 ALA 463 1HB ALA 463 16.364 12.033 7.119 1200 HB2 ALA 463 2HB ALA 463 16.191 13.402 8.218 1201 HB3 ALA 463 3HB ALA 463 14.831 12.308 7.950 1202 H MET 464 H MET 464 13.933 11.384 9.993 1203 HA MET 464 HA MET 464 14.000 13.378 12.024 1204 HB2 MET 464 2HB MET 464 11.909 12.772 10.834 1205 HB3 MET 464 1HB MET 464 11.915 11.195 11.608 1206 HG2 MET 464 2HG MET 464 11.519 12.196 13.783 1207 HG3 MET 464 1HG MET 464 11.718 13.818 13.121 1208 HE1 MET 464 1HE MET 464 9.458 10.558 13.041 1209 HE2 MET 464 2HE MET 464 9.739 10.861 11.324 1210 HE3 MET 464 3HE MET 464 8.133 11.100 12.013 1211 H ASN 465 H ASN 465 14.451 9.898 12.087 1212 HA ASN 465 HA ASN 465 14.600 9.627 14.953 1213 HB2 ASN 465 2HB ASN 465 14.090 7.744 13.340 1214 HB3 ASN 465 1HB ASN 465 15.763 7.789 12.805 1215 HD21 ASN 465 1HD2 ASN 465 14.357 5.586 13.890 1216 HD22 ASN 465 2HD2 ASN 465 15.156 5.110 15.342 1217 H LYS 466 H LYS 466 17.257 9.164 12.511 1218 HA LYS 466 HA LYS 466 19.100 10.634 14.310 1219 HB2 LYS 466 2HB LYS 466 20.927 9.032 13.663 1220 HB3 LYS 466 1HB LYS 466 19.667 8.330 14.656 1221 HG2 LYS 466 2HG LYS 466 19.396 7.989 11.688 1222 HG3 LYS 466 1HG LYS 466 20.680 7.078 12.477 1223 HD2 LYS 466 2HD LYS 466 17.738 6.980 13.275 1224 HD3 LYS 466 1HD LYS 466 18.549 5.787 12.260 1225 HE2 LYS 466 2HE LYS 466 20.085 5.238 14.125 1226 HE3 LYS 466 1HE LYS 466 19.272 6.434 15.142 1227 HZ1 LYS 466 1HZ LYS 466 18.420 4.272 15.655 1228 HZ2 LYS 466 2HZ LYS 466 18.086 3.938 14.033 1229 HZ3 LYS 466 3HZ LYS 466 17.201 5.122 14.851 1230 H SER 467 H SER 467 18.419 12.464 12.743 1231 HA SER 467 HA SER 467 19.953 12.563 10.289 1232 HB2 SER 467 2HB SER 467 17.877 13.965 10.687 1233 HB3 SER 467 1HB SER 467 18.803 14.943 11.822 1234 HG SER 467 HG SER 467 19.927 15.788 10.199 Start of MODEL 16 1 H1 MET 1 1H MET 1 -2.644 22.051 20.423 2 H2 MET 1 2H MET 1 -1.446 21.922 21.605 3 H3 MET 1 3H MET 1 -2.170 20.530 20.980 4 HA MET 1 HA MET 1 -0.579 22.443 19.399 5 HB2 MET 1 2HB MET 1 1.207 20.650 19.403 6 HB3 MET 1 1HB MET 1 0.953 21.425 20.955 7 HG2 MET 1 2HG MET 1 -0.276 19.474 21.769 8 HG3 MET 1 1HG MET 1 -0.129 18.700 20.186 9 HE1 MET 1 1HE MET 1 2.328 16.493 22.256 10 HE2 MET 1 2HE MET 1 0.935 16.509 21.174 11 HE3 MET 1 3HE MET 1 0.788 17.141 22.817 12 H THR 2 H THR 2 -2.092 22.427 17.731 13 HA THR 2 HA THR 2 -3.640 20.293 16.846 14 HB THR 2 HB THR 2 -3.876 21.702 14.687 15 HG1 THR 2 HG1 THR 2 -2.824 23.649 14.624 16 HG21 THR 2 1HG2 THR 2 -4.368 23.088 17.355 17 HG22 THR 2 2HG2 THR 2 -5.462 21.951 16.565 18 HG23 THR 2 3HG2 THR 2 -5.129 23.513 15.818 19 H SER 3 H SER 3 -0.682 21.542 15.227 20 HA SER 3 HA SER 3 -0.650 19.659 13.125 21 HB2 SER 3 2HB SER 3 1.709 21.233 14.236 22 HB3 SER 3 1HB SER 3 1.560 20.567 12.610 23 HG SER 3 HG SER 3 -0.173 22.007 12.253 24 H THR 4 H THR 4 0.837 19.634 16.330 25 HA THR 4 HA THR 4 2.543 17.369 15.829 26 HB THR 4 HB THR 4 1.853 18.629 18.522 27 HG1 THR 4 HG1 THR 4 3.184 20.194 18.007 28 HG21 THR 4 1HG2 THR 4 4.273 16.988 17.651 29 HG22 THR 4 2HG2 THR 4 2.995 16.438 18.738 30 HG23 THR 4 3HG2 THR 4 4.065 17.753 19.229 31 H VAL 5 H VAL 5 -0.695 17.823 17.284 32 HA VAL 5 HA VAL 5 -0.742 15.193 18.471 33 HB VAL 5 HB VAL 5 -2.082 17.056 19.470 34 HG11 VAL 5 1HG1 VAL 5 -4.253 17.724 18.528 35 HG12 VAL 5 2HG1 VAL 5 -3.940 16.746 17.090 36 HG13 VAL 5 3HG1 VAL 5 -2.925 18.145 17.445 37 HG21 VAL 5 1HG2 VAL 5 -3.735 14.627 18.670 38 HG22 VAL 5 2HG2 VAL 5 -4.086 15.714 20.018 39 HG23 VAL 5 3HG2 VAL 5 -2.624 14.727 20.039 40 H GLU 6 H GLU 6 -2.057 16.658 15.485 41 HA GLU 6 HA GLU 6 -3.440 14.358 14.537 42 HB2 GLU 6 2HB GLU 6 -3.425 15.470 12.335 43 HB3 GLU 6 1HB GLU 6 -3.843 16.607 13.613 44 HG2 GLU 6 2HG GLU 6 -1.533 17.482 13.589 45 HG3 GLU 6 1HG GLU 6 -1.129 16.357 12.297 46 H PHE 7 H PHE 7 -0.107 15.553 14.068 47 HA PHE 7 HA PHE 7 1.050 13.596 12.511 48 HB2 PHE 7 2HB PHE 7 2.217 15.591 13.250 49 HB3 PHE 7 1HB PHE 7 2.095 15.118 14.931 50 HD1 PHE 7 HD1 PHE 7 3.870 14.480 11.734 51 HD2 PHE 7 HD2 PHE 7 3.724 13.628 15.928 52 HE1 PHE 7 HE1 PHE 7 6.142 13.526 11.643 53 HE2 PHE 7 HE2 PHE 7 5.989 12.680 15.806 54 HZ PHE 7 HZ PHE 7 7.197 12.637 13.665 55 H ILE 8 H ILE 8 0.705 13.476 16.093 56 HA ILE 8 HA ILE 8 1.806 10.968 16.639 57 HB ILE 8 HB ILE 8 -0.392 12.509 18.100 58 HG12 ILE 8 2HG1 ILE 8 2.575 12.271 18.787 59 HG13 ILE 8 1HG1 ILE 8 1.884 13.606 17.879 60 HG21 ILE 8 1HG2 ILE 8 0.109 11.134 20.115 61 HG22 ILE 8 2HG2 ILE 8 1.155 10.103 19.138 62 HG23 ILE 8 3HG2 ILE 8 -0.575 10.173 18.799 63 HD11 ILE 8 1HD1 ILE 8 2.227 14.257 20.153 64 HD12 ILE 8 2HD1 ILE 8 1.286 12.890 20.742 65 HD13 ILE 8 3HD1 ILE 8 0.495 14.182 19.835 66 H ASN 9 H ASN 9 -1.698 11.749 16.346 67 HA ASN 9 HA ASN 9 -2.534 9.084 16.818 68 HB2 ASN 9 2HB ASN 9 -4.072 11.483 15.742 69 HB3 ASN 9 1HB ASN 9 -4.831 9.928 16.064 70 HD21 ASN 9 1HD2 ASN 9 -3.594 12.820 17.468 71 HD22 ASN 9 2HD2 ASN 9 -3.999 12.463 19.107 72 H ARG 10 H ARG 10 -1.974 10.881 13.806 73 HA ARG 10 HA ARG 10 -3.266 8.937 12.127 74 HB2 ARG 10 2HB ARG 10 -1.332 11.160 11.372 75 HB3 ARG 10 1HB ARG 10 -2.217 10.160 10.219 76 HG2 ARG 10 2HG ARG 10 -4.359 11.012 11.124 77 HG3 ARG 10 1HG ARG 10 -3.467 12.027 12.262 78 HD2 ARG 10 2HD ARG 10 -3.402 12.219 9.239 79 HD3 ARG 10 1HD ARG 10 -4.182 13.347 10.347 80 HE ARG 10 HE ARG 10 -1.328 12.983 10.741 81 HH11 ARG 10 1HH1 ARG 10 -3.808 14.941 9.195 82 HH12 ARG 10 2HH1 ARG 10 -2.753 16.302 8.976 83 HH21 ARG 10 1HH2 ARG 10 0.033 14.767 10.433 84 HH22 ARG 10 2HH2 ARG 10 -0.587 16.201 9.675 85 H TRP 11 H TRP 11 0.185 9.578 12.975 86 HA TRP 11 HA TRP 11 1.297 7.483 11.438 87 HB2 TRP 11 2HB TRP 11 2.245 8.879 13.956 88 HB3 TRP 11 1HB TRP 11 3.125 7.478 13.356 89 HD1 TRP 11 HD1 TRP 11 3.159 11.123 13.057 90 HE1 TRP 11 HE1 TRP 11 4.541 11.875 11.041 91 HE3 TRP 11 HE3 TRP 11 3.547 6.656 10.595 92 HZ2 TRP 11 HZ2 TRP 11 5.670 10.768 8.740 93 HZ3 TRP 11 HZ3 TRP 11 4.807 6.595 8.478 94 HH2 TRP 11 HH2 TRP 11 5.844 8.620 7.578 95 H GLN 12 H GLN 12 -0.153 7.499 14.654 96 HA GLN 12 HA GLN 12 0.308 4.850 15.436 97 HB2 GLN 12 2HB GLN 12 -0.593 6.633 16.921 98 HB3 GLN 12 1HB GLN 12 -2.111 6.616 16.032 99 HG2 GLN 12 2HG GLN 12 -2.522 4.305 16.774 100 HG3 GLN 12 1HG GLN 12 -0.979 4.303 17.631 101 HE21 GLN 12 1HE2 GLN 12 -1.986 3.896 19.627 102 HE22 GLN 12 2HE2 GLN 12 -2.916 5.090 20.456 103 H ARG 13 H ARG 13 -2.336 6.296 13.500 104 HA ARG 13 HA ARG 13 -3.800 3.929 13.027 105 HB2 ARG 13 2HB ARG 13 -3.597 6.328 11.156 106 HB3 ARG 13 1HB ARG 13 -4.850 5.093 11.135 107 HG2 ARG 13 2HG ARG 13 -4.379 7.158 13.290 108 HG3 ARG 13 1HG ARG 13 -5.706 7.115 12.136 109 HD2 ARG 13 2HD ARG 13 -6.671 5.192 13.181 110 HD3 ARG 13 1HD ARG 13 -5.240 4.917 14.180 111 HE ARG 13 HE ARG 13 -7.186 7.125 14.501 112 HH11 ARG 13 1HH1 ARG 13 -4.642 5.119 15.859 113 HH12 ARG 13 2HH1 ARG 13 -4.826 5.759 17.460 114 HH21 ARG 13 1HH2 ARG 13 -7.379 7.990 16.595 115 HH22 ARG 13 2HH2 ARG 13 -6.374 7.381 17.872 116 H ILE 14 H ILE 14 -1.113 5.434 11.237 117 HA ILE 14 HA ILE 14 -1.149 3.876 8.908 118 HB ILE 14 HB ILE 14 1.170 5.329 10.280 119 HG12 ILE 14 2HG1 ILE 14 -0.509 6.166 7.867 120 HG13 ILE 14 1HG1 ILE 14 -0.787 6.727 9.505 121 HG21 ILE 14 1HG2 ILE 14 1.115 4.238 7.441 122 HG22 ILE 14 2HG2 ILE 14 2.107 3.628 8.768 123 HG23 ILE 14 3HG2 ILE 14 2.385 5.249 8.134 124 HD11 ILE 14 1HD1 ILE 14 1.396 7.829 9.502 125 HD12 ILE 14 2HD1 ILE 14 0.361 8.393 8.192 126 HD13 ILE 14 3HD1 ILE 14 1.675 7.267 7.851 127 H ALA 15 H ALA 15 0.536 3.340 12.012 128 HA ALA 15 HA ALA 15 1.919 0.958 11.235 129 HB1 ALA 15 1HB ALA 15 1.226 1.955 14.016 130 HB2 ALA 15 2HB ALA 15 2.670 2.370 13.095 131 HB3 ALA 15 3HB ALA 15 2.420 0.707 13.622 132 H LEU 16 H LEU 16 -1.125 1.536 13.009 133 HA LEU 16 HA LEU 16 -1.728 -1.153 13.666 134 HB2 LEU 16 2HB LEU 16 -3.588 1.237 13.318 135 HB3 LEU 16 1HB LEU 16 -4.079 -0.295 14.021 136 HG LEU 16 HG LEU 16 -2.021 1.615 15.206 137 HD11 LEU 16 1HD1 LEU 16 -4.841 0.996 16.153 138 HD12 LEU 16 2HD1 LEU 16 -4.308 2.492 15.381 139 HD13 LEU 16 3HD1 LEU 16 -3.676 2.048 16.964 140 HD21 LEU 16 1HD2 LEU 16 -1.436 -0.697 15.739 141 HD22 LEU 16 2HD2 LEU 16 -3.066 -1.001 16.338 142 HD23 LEU 16 3HD2 LEU 16 -2.014 0.142 17.179 143 H LEU 17 H LEU 17 -2.663 0.888 10.931 144 HA LEU 17 HA LEU 17 -4.476 -0.916 9.696 145 HB2 LEU 17 2HB LEU 17 -3.036 1.536 8.576 146 HB3 LEU 17 1HB LEU 17 -4.255 0.633 7.689 147 HG LEU 17 HG LEU 17 -4.741 2.142 10.293 148 HD11 LEU 17 1HD1 LEU 17 -6.047 3.728 8.934 149 HD12 LEU 17 2HD1 LEU 17 -5.579 2.866 7.466 150 HD13 LEU 17 3HD1 LEU 17 -4.354 3.682 8.437 151 HD21 LEU 17 1HD2 LEU 17 -7.133 1.680 9.904 152 HD22 LEU 17 2HD2 LEU 17 -6.205 0.204 10.152 153 HD23 LEU 17 3HD2 LEU 17 -6.714 0.661 8.524 154 H SER 18 H SER 18 -1.042 -0.031 9.058 155 HA SER 18 HA SER 18 -0.601 -1.598 6.788 156 HB2 SER 18 2HB SER 18 1.833 -1.529 7.428 157 HB3 SER 18 1HB SER 18 1.052 0.048 7.487 158 HG SER 18 HG SER 18 2.050 -1.515 9.542 159 H GLN 19 H GLN 19 -0.242 -2.418 10.212 160 HA GLN 19 HA GLN 19 0.712 -5.052 10.019 161 HB2 GLN 19 2HB GLN 19 0.650 -3.676 12.094 162 HB3 GLN 19 1HB GLN 19 -1.104 -3.793 12.126 163 HG2 GLN 19 2HG GLN 19 -0.906 -6.247 12.451 164 HG3 GLN 19 1HG GLN 19 0.851 -6.084 12.472 165 HE21 GLN 19 1HE2 GLN 19 -1.421 -3.809 13.978 166 HE22 GLN 19 2HE2 GLN 19 -0.962 -4.159 15.601 167 H SER 20 H SER 20 -2.614 -3.819 10.271 168 HA SER 20 HA SER 20 -4.001 -6.252 10.310 169 HB2 SER 20 2HB SER 20 -4.913 -3.521 9.313 170 HB3 SER 20 1HB SER 20 -5.986 -4.892 9.601 171 HG SER 20 HG SER 20 -4.568 -3.319 11.442 172 H LEU 21 H LEU 21 -3.532 -4.032 7.525 173 HA LEU 21 HA LEU 21 -4.762 -5.773 5.660 174 HB2 LEU 21 2HB LEU 21 -4.129 -4.085 3.948 175 HB3 LEU 21 1HB LEU 21 -4.982 -3.427 5.323 176 HG LEU 21 HG LEU 21 -2.660 -2.685 6.204 177 HD11 LEU 21 1HD1 LEU 21 -1.223 -3.961 4.760 178 HD12 LEU 21 2HD1 LEU 21 -0.942 -2.238 4.528 179 HD13 LEU 21 3HD1 LEU 21 -1.875 -3.150 3.337 180 HD21 LEU 21 1HD2 LEU 21 -4.296 -1.080 5.431 181 HD22 LEU 21 2HD2 LEU 21 -3.815 -1.338 3.753 182 HD23 LEU 21 3HD2 LEU 21 -2.686 -0.603 4.898 183 H LEU 22 H LEU 22 -1.502 -5.525 6.792 184 HA LEU 22 HA LEU 22 -0.167 -6.924 4.725 185 HB2 LEU 22 2HB LEU 22 1.112 -5.864 6.524 186 HB3 LEU 22 1HB LEU 22 0.350 -6.895 7.726 187 HG LEU 22 HG LEU 22 1.467 -8.894 6.668 188 HD11 LEU 22 1HD1 LEU 22 3.303 -8.583 5.088 189 HD12 LEU 22 2HD1 LEU 22 2.948 -6.857 4.981 190 HD13 LEU 22 3HD1 LEU 22 1.773 -8.041 4.400 191 HD21 LEU 22 1HD2 LEU 22 3.706 -8.452 7.551 192 HD22 LEU 22 2HD2 LEU 22 2.450 -7.852 8.631 193 HD23 LEU 22 3HD2 LEU 22 3.349 -6.722 7.613 194 H GLU 23 H GLU 23 -1.609 -8.069 7.786 195 HA GLU 23 HA GLU 23 -1.320 -10.849 7.244 196 HB2 GLU 23 2HB GLU 23 -3.089 -9.350 9.219 197 HB3 GLU 23 1HB GLU 23 -2.884 -11.102 9.219 198 HG2 GLU 23 2HG GLU 23 -0.504 -10.880 9.715 199 HG3 GLU 23 1HG GLU 23 -0.600 -9.127 9.562 200 H LEU 24 H LEU 24 -3.767 -8.528 6.365 201 HA LEU 24 HA LEU 24 -5.812 -10.380 5.573 202 HB2 LEU 24 2HB LEU 24 -5.354 -7.455 4.846 203 HB3 LEU 24 1HB LEU 24 -6.795 -8.364 4.408 204 HG LEU 24 HG LEU 24 -5.919 -7.860 7.284 205 HD11 LEU 24 1HD1 LEU 24 -8.027 -6.377 5.690 206 HD12 LEU 24 2HD1 LEU 24 -6.492 -5.726 6.256 207 HD13 LEU 24 3HD1 LEU 24 -7.727 -6.195 7.419 208 HD21 LEU 24 1HD2 LEU 24 -7.275 -9.877 7.022 209 HD22 LEU 24 2HD2 LEU 24 -8.523 -8.950 6.186 210 HD23 LEU 24 3HD2 LEU 24 -8.167 -8.623 7.884 211 H ALA 25 H ALA 25 -3.247 -8.598 3.814 212 HA ALA 25 HA ALA 25 -3.815 -9.576 1.194 213 HB1 ALA 25 1HB ALA 25 -1.557 -8.748 0.611 214 HB2 ALA 25 2HB ALA 25 -1.174 -8.557 2.327 215 HB3 ALA 25 3HB ALA 25 -2.431 -7.567 1.586 216 H GLN 26 H GLN 26 -1.817 -10.697 3.828 217 HA GLN 26 HA GLN 26 -0.425 -12.828 2.567 218 HB2 GLN 26 2HB GLN 26 0.306 -11.723 4.657 219 HB3 GLN 26 1HB GLN 26 -1.125 -12.307 5.490 220 HG2 GLN 26 2HG GLN 26 -0.278 -14.657 5.109 221 HG3 GLN 26 1HG GLN 26 1.212 -13.952 4.476 222 HE21 GLN 26 1HE2 GLN 26 -0.676 -12.699 7.220 223 HE22 GLN 26 2HE2 GLN 26 0.525 -13.013 8.417 224 H ARG 27 H ARG 27 -3.459 -12.602 4.396 225 HA ARG 27 HA ARG 27 -4.094 -15.410 4.303 226 HB2 ARG 27 2HB ARG 27 -5.154 -13.069 5.627 227 HB3 ARG 27 1HB ARG 27 -6.484 -13.765 4.723 228 HG2 ARG 27 2HG ARG 27 -4.798 -15.217 6.793 229 HG3 ARG 27 1HG ARG 27 -6.426 -14.583 7.025 230 HD2 ARG 27 2HD ARG 27 -5.661 -16.791 5.080 231 HD3 ARG 27 1HD ARG 27 -6.451 -17.016 6.644 232 HE ARG 27 HE ARG 27 -7.933 -15.230 4.966 233 HH11 ARG 27 1HH1 ARG 27 -7.350 -18.675 5.474 234 HH12 ARG 27 2HH1 ARG 27 -8.871 -19.148 4.784 235 HH21 ARG 27 1HH2 ARG 27 -9.911 -15.867 4.062 236 HH22 ARG 27 2HH2 ARG 27 -10.328 -17.558 3.981 237 H GLY 28 H GLY 28 -4.558 -12.704 2.174 238 HA2 GLY 28 2HA GLY 28 -5.096 -12.857 -0.119 239 HA3 GLY 28 1HA GLY 28 -5.991 -14.339 0.174 240 H GLU 29 H GLU 29 -6.757 -12.068 2.536 241 HA GLU 29 HA GLU 29 -9.369 -11.498 1.510 242 HB2 GLU 29 2HB GLU 29 -8.086 -10.027 3.851 243 HB3 GLU 29 1HB GLU 29 -9.792 -10.336 3.563 244 HG2 GLU 29 2HG GLU 29 -7.682 -12.310 4.458 245 HG3 GLU 29 1HG GLU 29 -9.058 -11.719 5.384 246 H TRP 30 H TRP 30 -9.161 -10.362 -0.418 247 HA TRP 30 HA TRP 30 -7.402 -8.069 -0.683 248 HB2 TRP 30 2HB TRP 30 -9.430 -9.110 -2.698 249 HB3 TRP 30 1HB TRP 30 -8.088 -8.015 -3.022 250 HD1 TRP 30 HD1 TRP 30 -8.902 -11.436 -3.670 251 HE1 TRP 30 HE1 TRP 30 -6.832 -12.938 -3.848 252 HE3 TRP 30 HE3 TRP 30 -5.430 -8.353 -1.523 253 HZ2 TRP 30 HZ2 TRP 30 -4.109 -12.856 -3.179 254 HZ3 TRP 30 HZ3 TRP 30 -3.110 -9.141 -1.327 255 HH2 TRP 30 HH2 TRP 30 -2.463 -11.349 -2.141 256 H ASP 31 H ASP 31 -10.868 -8.611 -0.340 257 HA ASP 31 HA ASP 31 -11.801 -6.021 -0.953 258 HB2 ASP 31 2HB ASP 31 -12.997 -8.023 1.018 259 HB3 ASP 31 1HB ASP 31 -13.839 -6.635 0.330 260 H LEU 32 H LEU 32 -10.736 -7.506 2.079 261 HA LEU 32 HA LEU 32 -11.116 -5.169 3.702 262 HB2 LEU 32 2HB LEU 32 -9.557 -7.723 4.243 263 HB3 LEU 32 1HB LEU 32 -9.903 -6.483 5.439 264 HG LEU 32 HG LEU 32 -11.928 -8.303 4.074 265 HD11 LEU 32 1HD1 LEU 32 -11.077 -8.085 6.983 266 HD12 LEU 32 2HD1 LEU 32 -10.628 -9.372 5.860 267 HD13 LEU 32 3HD1 LEU 32 -12.311 -9.173 6.340 268 HD21 LEU 32 1HD2 LEU 32 -13.656 -7.212 5.472 269 HD22 LEU 32 2HD2 LEU 32 -12.943 -6.089 4.318 270 HD23 LEU 32 3HD2 LEU 32 -12.469 -6.025 6.018 271 H LEU 33 H LEU 33 -8.334 -6.621 1.996 272 HA LEU 33 HA LEU 33 -6.232 -5.026 2.936 273 HB2 LEU 33 2HB LEU 33 -5.797 -6.930 1.453 274 HB3 LEU 33 1HB LEU 33 -6.694 -6.169 0.150 275 HG LEU 33 HG LEU 33 -4.924 -4.352 0.061 276 HD11 LEU 33 1HD1 LEU 33 -3.449 -6.127 2.016 277 HD12 LEU 33 2HD1 LEU 33 -4.013 -4.477 2.284 278 HD13 LEU 33 3HD1 LEU 33 -2.731 -4.786 1.118 279 HD21 LEU 33 1HD2 LEU 33 -4.872 -6.201 -1.539 280 HD22 LEU 33 2HD2 LEU 33 -3.894 -7.159 -0.424 281 HD23 LEU 33 3HD2 LEU 33 -3.241 -5.672 -1.120 282 H LEU 34 H LEU 34 -8.420 -4.471 0.207 283 HA LEU 34 HA LEU 34 -7.327 -1.904 -0.504 284 HB2 LEU 34 2HB LEU 34 -9.763 -3.418 -1.507 285 HB3 LEU 34 1HB LEU 34 -9.112 -1.962 -2.252 286 HG LEU 34 HG LEU 34 -7.548 -4.568 -1.994 287 HD11 LEU 34 1HD1 LEU 34 -9.064 -3.543 -4.412 288 HD12 LEU 34 2HD1 LEU 34 -9.462 -4.963 -3.439 289 HD13 LEU 34 3HD1 LEU 34 -7.978 -4.936 -4.385 290 HD21 LEU 34 1HD2 LEU 34 -6.954 -2.068 -3.614 291 HD22 LEU 34 2HD2 LEU 34 -6.018 -3.564 -3.647 292 HD23 LEU 34 3HD2 LEU 34 -6.097 -2.610 -2.168 293 H GLN 35 H GLN 35 -9.917 -3.029 1.548 294 HA GLN 35 HA GLN 35 -11.344 -0.571 1.803 295 HB2 GLN 35 2HB GLN 35 -12.287 -2.747 2.526 296 HB3 GLN 35 1HB GLN 35 -11.055 -2.885 3.771 297 HG2 GLN 35 2HG GLN 35 -13.216 -2.209 4.720 298 HG3 GLN 35 1HG GLN 35 -11.998 -0.963 4.965 299 HE21 GLN 35 1HE2 GLN 35 -13.737 -1.465 1.906 300 HE22 GLN 35 2HE2 GLN 35 -14.619 0.016 1.975 301 H GLN 36 H GLN 36 -8.503 -1.949 3.433 302 HA GLN 36 HA GLN 36 -8.278 0.286 5.296 303 HB2 GLN 36 2HB GLN 36 -6.356 -2.050 4.888 304 HB3 GLN 36 1HB GLN 36 -6.356 -0.915 6.234 305 HG2 GLN 36 2HG GLN 36 -8.474 -2.990 5.612 306 HG3 GLN 36 1HG GLN 36 -7.312 -3.034 6.933 307 HE21 GLN 36 1HE2 GLN 36 -10.290 -3.069 6.891 308 HE22 GLN 36 2HE2 GLN 36 -10.773 -1.777 7.931 309 H GLU 37 H GLU 37 -6.920 -0.738 2.242 310 HA GLU 37 HA GLU 37 -4.607 0.619 1.772 311 HB2 GLU 37 2HB GLU 37 -5.606 -0.721 0.036 312 HB3 GLU 37 1HB GLU 37 -7.075 0.240 0.035 313 HG2 GLU 37 2HG GLU 37 -5.656 2.164 -0.897 314 HG3 GLU 37 1HG GLU 37 -4.373 0.976 -1.119 315 H VAL 38 H VAL 38 -7.852 1.959 1.270 316 HA VAL 38 HA VAL 38 -7.099 4.440 0.291 317 HB VAL 38 HB VAL 38 -9.473 5.163 0.833 318 HG11 VAL 38 1HG1 VAL 38 -9.155 2.478 -0.581 319 HG12 VAL 38 2HG1 VAL 38 -8.949 4.075 -1.303 320 HG13 VAL 38 3HG1 VAL 38 -10.541 3.566 -0.745 321 HG21 VAL 38 1HG2 VAL 38 -9.819 3.844 2.901 322 HG22 VAL 38 2HG2 VAL 38 -9.750 2.348 1.968 323 HG23 VAL 38 3HG2 VAL 38 -11.068 3.494 1.700 324 H SER 39 H SER 39 -8.008 3.596 3.650 325 HA SER 39 HA SER 39 -7.688 6.187 4.761 326 HB2 SER 39 2HB SER 39 -7.537 3.481 6.173 327 HB3 SER 39 1HB SER 39 -7.897 5.038 6.920 328 HG SER 39 HG SER 39 -9.710 3.540 6.269 329 H TYR 40 H TYR 40 -5.590 3.363 4.512 330 HA TYR 40 HA TYR 40 -3.492 4.064 6.227 331 HB2 TYR 40 2HB TYR 40 -3.807 1.779 5.516 332 HB3 TYR 40 1HB TYR 40 -3.674 2.213 3.818 333 HD1 TYR 40 HD1 TYR 40 -1.526 2.681 6.893 334 HD2 TYR 40 HD2 TYR 40 -1.748 1.350 2.833 335 HE1 TYR 40 HE1 TYR 40 0.834 2.033 6.963 336 HE2 TYR 40 HE2 TYR 40 0.619 0.704 2.913 337 HH TYR 40 HH TYR 40 2.656 1.371 4.276 338 H LEU 41 H LEU 41 -3.484 4.145 2.654 339 HA LEU 41 HA LEU 41 -1.045 5.488 2.332 340 HB2 LEU 41 2HB LEU 41 -3.435 5.320 0.450 341 HB3 LEU 41 1HB LEU 41 -1.845 5.899 -0.018 342 HG LEU 41 HG LEU 41 -2.402 3.064 0.967 343 HD11 LEU 41 1HD1 LEU 41 -3.528 3.434 -1.179 344 HD12 LEU 41 2HD1 LEU 41 -2.161 2.341 -1.376 345 HD13 LEU 41 3HD1 LEU 41 -2.025 4.024 -1.892 346 HD21 LEU 41 1HD2 LEU 41 -0.097 3.781 1.403 347 HD22 LEU 41 2HD2 LEU 41 0.099 4.258 -0.287 348 HD23 LEU 41 3HD2 LEU 41 -0.137 2.560 0.131 349 H GLN 42 H GLN 42 -4.417 6.695 2.517 350 HA GLN 42 HA GLN 42 -3.970 9.412 1.974 351 HB2 GLN 42 2HB GLN 42 -6.202 8.276 2.141 352 HB3 GLN 42 1HB GLN 42 -6.027 8.237 3.893 353 HG2 GLN 42 2HG GLN 42 -5.967 10.731 3.902 354 HG3 GLN 42 1HG GLN 42 -6.224 10.721 2.158 355 HE21 GLN 42 1HE2 GLN 42 -8.142 8.452 2.288 356 HE22 GLN 42 2HE2 GLN 42 -9.592 9.124 2.936 357 H SER 43 H SER 43 -3.680 7.607 5.017 358 HA SER 43 HA SER 43 -3.332 9.806 6.774 359 HB2 SER 43 2HB SER 43 -2.468 6.902 7.075 360 HB3 SER 43 1HB SER 43 -2.420 8.099 8.371 361 HG SER 43 HG SER 43 -4.782 7.462 6.950 362 H ILE 44 H ILE 44 -1.016 7.731 5.035 363 HA ILE 44 HA ILE 44 1.397 8.903 5.959 364 HB ILE 44 HB ILE 44 0.896 7.611 3.225 365 HG12 ILE 44 2HG1 ILE 44 1.851 6.246 5.797 366 HG13 ILE 44 1HG1 ILE 44 0.223 6.119 5.150 367 HG21 ILE 44 1HG2 ILE 44 3.483 8.001 4.780 368 HG22 ILE 44 2HG2 ILE 44 3.020 8.840 3.297 369 HG23 ILE 44 3HG2 ILE 44 3.331 7.104 3.269 370 HD11 ILE 44 1HD1 ILE 44 2.741 5.099 3.829 371 HD12 ILE 44 2HD1 ILE 44 1.115 5.000 3.149 372 HD13 ILE 44 3HD1 ILE 44 1.501 4.138 4.636 373 H GLU 45 H GLU 45 -0.722 9.641 3.237 374 HA GLU 45 HA GLU 45 0.869 11.608 1.971 375 HB2 GLU 45 2HB GLU 45 -2.109 10.992 1.825 376 HB3 GLU 45 1HB GLU 45 -1.334 12.210 0.810 377 HG2 GLU 45 2HG GLU 45 0.094 10.519 -0.216 378 HG3 GLU 45 1HG GLU 45 -0.539 9.280 0.862 379 H THR 46 H THR 46 -1.571 11.826 4.548 380 HA THR 46 HA THR 46 -1.707 14.728 4.346 381 HB THR 46 HB THR 46 -3.772 13.454 4.783 382 HG1 THR 46 HG1 THR 46 -3.574 15.650 5.515 383 HG21 THR 46 1HG2 THR 46 -2.571 12.860 7.504 384 HG22 THR 46 2HG2 THR 46 -2.869 11.680 6.226 385 HG23 THR 46 3HG2 THR 46 -4.225 12.504 6.998 386 H VAL 47 H VAL 47 -0.031 12.382 6.474 387 HA VAL 47 HA VAL 47 0.848 14.391 8.346 388 HB VAL 47 HB VAL 47 2.638 12.808 9.061 389 HG11 VAL 47 1HG1 VAL 47 -0.088 11.483 8.826 390 HG12 VAL 47 2HG1 VAL 47 0.408 12.624 10.078 391 HG13 VAL 47 3HG1 VAL 47 1.184 11.043 9.971 392 HG21 VAL 47 1HG2 VAL 47 3.193 11.744 6.930 393 HG22 VAL 47 2HG2 VAL 47 1.602 10.986 6.862 394 HG23 VAL 47 3HG2 VAL 47 2.749 10.515 8.119 395 H MET 48 H MET 48 2.126 13.120 5.281 396 HA MET 48 HA MET 48 4.484 14.811 5.310 397 HB2 MET 48 2HB MET 48 3.262 13.101 3.108 398 HB3 MET 48 1HB MET 48 4.817 13.927 2.991 399 HG2 MET 48 2HG MET 48 4.093 11.732 4.945 400 HG3 MET 48 1HG MET 48 5.182 11.609 3.559 401 HE1 MET 48 1HE MET 48 7.134 10.603 5.107 402 HE2 MET 48 2HE MET 48 6.022 10.670 6.477 403 HE3 MET 48 3HE MET 48 7.639 11.355 6.619 404 H GLU 49 H GLU 49 1.199 15.188 4.264 405 HA GLU 49 HA GLU 49 1.442 17.441 2.535 406 HB2 GLU 49 2HB GLU 49 -0.655 16.221 2.665 407 HB3 GLU 49 1HB GLU 49 -0.757 16.459 4.402 408 HG2 GLU 49 2HG GLU 49 -1.065 18.941 3.947 409 HG3 GLU 49 1HG GLU 49 -1.183 18.539 2.234 410 H LYS 50 H LYS 50 1.373 16.990 6.008 411 HA LYS 50 HA LYS 50 1.359 19.843 6.624 412 HB2 LYS 50 2HB LYS 50 0.007 18.071 7.886 413 HB3 LYS 50 1HB LYS 50 1.521 17.456 8.527 414 HG2 LYS 50 2HG LYS 50 0.241 18.924 10.106 415 HG3 LYS 50 1HG LYS 50 1.895 19.455 9.806 416 HD2 LYS 50 2HD LYS 50 0.276 21.339 9.893 417 HD3 LYS 50 1HD LYS 50 1.121 21.241 8.352 418 HE2 LYS 50 2HE LYS 50 -1.215 21.781 7.966 419 HE3 LYS 50 1HE LYS 50 -0.896 20.163 7.350 420 HZ1 LYS 50 1HZ LYS 50 -2.133 20.712 9.991 421 HZ2 LYS 50 2HZ LYS 50 -1.998 19.220 9.210 422 HZ3 LYS 50 3HZ LYS 50 -3.011 20.405 8.580 423 H GLN 51 H GLN 51 3.620 17.848 5.497 424 HA GLN 51 HA GLN 51 5.774 18.156 4.997 425 HB2 GLN 51 2HB GLN 51 5.759 20.630 6.781 426 HB3 GLN 51 1HB GLN 51 6.961 20.236 5.561 427 HG2 GLN 51 2HG GLN 51 4.050 20.918 5.030 428 HG3 GLN 51 1HG GLN 51 5.417 21.996 4.793 429 HE21 GLN 51 1HE2 GLN 51 3.718 19.204 3.535 430 HE22 GLN 51 2HE2 GLN 51 4.477 19.205 1.986 431 H THR 52 H THR 52 4.745 17.098 7.861 432 HA THR 52 HA THR 52 5.489 16.389 9.858 433 HB THR 52 HB THR 52 8.080 15.934 8.311 434 HG1 THR 52 HG1 THR 52 6.488 14.690 7.436 435 HG21 THR 52 1HG2 THR 52 8.645 14.259 10.052 436 HG22 THR 52 2HG2 THR 52 7.237 14.758 10.991 437 HG23 THR 52 3HG2 THR 52 8.570 15.885 10.730 438 HA PRO 53 HA PRO 53 6.934 20.633 11.151 439 HB2 PRO 53 2HB PRO 53 5.711 19.558 13.707 440 HB3 PRO 53 1HB PRO 53 5.512 21.155 12.945 441 HG2 PRO 53 2HG PRO 53 3.564 19.363 12.775 442 HG3 PRO 53 1HG PRO 53 3.977 20.369 11.366 443 HD2 PRO 53 2HD PRO 53 4.665 17.482 11.892 444 HD3 PRO 53 1HD PRO 53 4.180 18.273 10.373 445 HA PRO 54 HA PRO 54 10.663 18.755 12.897 446 HB2 PRO 54 2HB PRO 54 12.300 20.917 12.985 447 HB3 PRO 54 1HB PRO 54 11.759 20.220 11.443 448 HG2 PRO 54 2HG PRO 54 10.690 22.630 12.885 449 HG3 PRO 54 1HG PRO 54 11.065 22.433 11.159 450 HD2 PRO 54 2HD PRO 54 8.520 22.203 12.181 451 HD3 PRO 54 1HD PRO 54 9.057 21.368 10.706 452 H GLY 55 H GLY 55 8.546 20.607 14.662 453 HA2 GLY 55 2HA GLY 55 10.187 20.959 17.068 454 HA3 GLY 55 1HA GLY 55 8.536 21.502 16.819 455 H ILE 56 H ILE 56 9.656 18.226 16.174 456 HA ILE 56 HA ILE 56 7.737 17.053 18.009 457 HB ILE 56 HB ILE 56 9.782 15.736 16.148 458 HG12 ILE 56 2HG1 ILE 56 8.228 16.974 14.791 459 HG13 ILE 56 1HG1 ILE 56 7.770 15.284 14.667 460 HG21 ILE 56 1HG2 ILE 56 8.453 13.667 16.397 461 HG22 ILE 56 2HG2 ILE 56 7.425 14.466 17.587 462 HG23 ILE 56 3HG2 ILE 56 9.133 14.195 17.938 463 HD11 ILE 56 1HD1 ILE 56 6.386 17.439 16.269 464 HD12 ILE 56 2HD1 ILE 56 5.948 15.729 16.314 465 HD13 ILE 56 3HD1 ILE 56 5.804 16.637 14.810 466 H THR 57 H THR 57 8.261 16.634 20.095 467 HA THR 57 HA THR 57 11.006 16.689 21.042 468 HB THR 57 HB THR 57 9.172 17.762 22.323 469 HG1 THR 57 HG1 THR 57 10.399 17.425 23.964 470 HG21 THR 57 1HG2 THR 57 8.195 14.938 22.909 471 HG22 THR 57 2HG2 THR 57 7.354 16.129 21.912 472 HG23 THR 57 3HG2 THR 57 7.580 16.424 23.637 473 H ARG 58 H ARG 58 11.394 14.806 22.905 474 HA ARG 58 HA ARG 58 12.197 12.720 21.145 475 HB2 ARG 58 2HB ARG 58 13.271 11.710 23.237 476 HB3 ARG 58 1HB ARG 58 13.785 13.321 22.782 477 HG2 ARG 58 2HG ARG 58 13.596 13.517 25.085 478 HG3 ARG 58 1HG ARG 58 12.046 14.145 24.539 479 HD2 ARG 58 2HD ARG 58 11.034 11.891 25.033 480 HD3 ARG 58 1HD ARG 58 12.588 11.392 25.704 481 HE ARG 58 HE ARG 58 11.942 13.716 27.038 482 HH11 ARG 58 1HH1 ARG 58 10.400 10.562 26.694 483 HH12 ARG 58 2HH1 ARG 58 9.616 10.649 28.240 484 HH21 ARG 58 1HH2 ARG 58 10.844 13.823 29.052 485 HH22 ARG 58 2HH2 ARG 58 9.866 12.481 29.564 486 H SER 59 H SER 59 9.641 12.834 23.607 487 HA SER 59 HA SER 59 9.205 10.006 23.758 488 HB2 SER 59 2HB SER 59 8.461 11.505 25.561 489 HB3 SER 59 1HB SER 59 7.345 12.324 24.467 490 HG SER 59 HG SER 59 6.531 10.557 25.921 491 H ILE 60 H ILE 60 7.822 12.624 21.850 492 HA ILE 60 HA ILE 60 5.773 11.107 20.553 493 HB ILE 60 HB ILE 60 6.995 13.823 19.864 494 HG12 ILE 60 2HG1 ILE 60 4.409 13.131 21.352 495 HG13 ILE 60 1HG1 ILE 60 5.888 13.711 22.108 496 HG21 ILE 60 1HG2 ILE 60 4.948 14.215 18.498 497 HG22 ILE 60 2HG2 ILE 60 4.458 12.544 18.779 498 HG23 ILE 60 3HG2 ILE 60 5.927 12.886 17.866 499 HD11 ILE 60 1HD1 ILE 60 4.315 15.500 21.944 500 HD12 ILE 60 2HD1 ILE 60 4.111 15.233 20.214 501 HD13 ILE 60 3HD1 ILE 60 5.653 15.825 20.840 502 H GLN 61 H GLN 61 9.064 12.143 19.727 503 HA GLN 61 HA GLN 61 9.266 11.159 17.100 504 HB2 GLN 61 2HB GLN 61 10.948 12.686 17.979 505 HB3 GLN 61 1HB GLN 61 11.391 11.554 19.253 506 HG2 GLN 61 2HG GLN 61 12.216 9.975 17.479 507 HG3 GLN 61 1HG GLN 61 11.884 11.223 16.276 508 HE21 GLN 61 1HE2 GLN 61 13.279 12.985 16.124 509 HE22 GLN 61 2HE2 GLN 61 14.784 13.064 16.967 510 H ASP 62 H ASP 62 9.843 9.639 20.257 511 HA ASP 62 HA ASP 62 10.937 7.188 19.384 512 HB2 ASP 62 2HB ASP 62 11.163 7.879 21.707 513 HB3 ASP 62 1HB ASP 62 9.419 7.915 21.933 514 H MET 63 H MET 63 7.570 8.079 20.225 515 HA MET 63 HA MET 63 6.302 5.618 19.751 516 HB2 MET 63 2HB MET 63 5.190 8.426 19.374 517 HB3 MET 63 1HB MET 63 4.210 6.967 19.377 518 HG2 MET 63 2HG MET 63 4.987 6.551 21.731 519 HG3 MET 63 1HG MET 63 5.757 8.137 21.689 520 HE1 MET 63 1HE MET 63 3.451 9.618 19.752 521 HE2 MET 63 2HE MET 63 4.290 10.414 21.089 522 HE3 MET 63 3HE MET 63 2.532 10.416 21.029 523 H VAL 64 H VAL 64 6.775 8.385 17.527 524 HA VAL 64 HA VAL 64 5.430 7.042 15.371 525 HB VAL 64 HB VAL 64 5.849 8.992 13.997 526 HG11 VAL 64 1HG1 VAL 64 3.984 9.091 15.600 527 HG12 VAL 64 2HG1 VAL 64 4.671 10.692 15.346 528 HG13 VAL 64 3HG1 VAL 64 5.040 9.801 16.825 529 HG21 VAL 64 1HG2 VAL 64 8.172 9.472 14.652 530 HG22 VAL 64 2HG2 VAL 64 7.630 10.040 16.231 531 HG23 VAL 64 3HG2 VAL 64 7.170 10.921 14.769 532 H ALA 65 H ALA 65 8.790 7.296 16.335 533 HA ALA 65 HA ALA 65 9.940 6.360 13.896 534 HB1 ALA 65 1HB ALA 65 11.330 7.363 15.660 535 HB2 ALA 65 2HB ALA 65 11.899 5.743 15.254 536 HB3 ALA 65 3HB ALA 65 10.972 6.012 16.736 537 H GLY 66 H GLY 66 8.603 4.785 16.784 538 HA2 GLY 66 2HA GLY 66 8.954 2.079 16.026 539 HA3 GLY 66 1HA GLY 66 7.721 2.694 17.122 540 H TYR 67 H TYR 67 6.359 4.434 15.364 541 HA TYR 67 HA TYR 67 4.573 2.615 14.113 542 HB2 TYR 67 2HB TYR 67 4.724 5.646 13.894 543 HB3 TYR 67 1HB TYR 67 3.395 4.671 13.278 544 HD1 TYR 67 HD1 TYR 67 3.552 6.973 15.524 545 HD2 TYR 67 HD2 TYR 67 3.141 2.715 15.647 546 HE1 TYR 67 HE1 TYR 67 2.398 7.143 17.688 547 HE2 TYR 67 HE2 TYR 67 1.976 2.900 17.808 548 HH TYR 67 HH TYR 67 0.807 5.848 19.033 549 H ILE 68 H ILE 68 7.111 4.761 12.819 550 HA ILE 68 HA ILE 68 6.548 4.260 10.051 551 HB ILE 68 HB ILE 68 9.196 5.273 11.237 552 HG12 ILE 68 2HG1 ILE 68 6.946 6.924 9.996 553 HG13 ILE 68 1HG1 ILE 68 7.227 6.794 11.718 554 HG21 ILE 68 1HG2 ILE 68 9.479 4.369 8.960 555 HG22 ILE 68 2HG2 ILE 68 9.646 6.123 8.934 556 HG23 ILE 68 3HG2 ILE 68 8.151 5.371 8.371 557 HD11 ILE 68 1HD1 ILE 68 8.085 8.881 10.821 558 HD12 ILE 68 2HD1 ILE 68 9.137 7.999 9.716 559 HD13 ILE 68 3HD1 ILE 68 9.396 7.890 11.459 560 H LYS 69 H LYS 69 8.803 2.904 12.454 561 HA LYS 69 HA LYS 69 10.258 1.105 10.904 562 HB2 LYS 69 2HB LYS 69 10.755 1.579 13.268 563 HB3 LYS 69 1HB LYS 69 9.260 0.796 13.762 564 HG2 LYS 69 2HG LYS 69 10.268 -1.353 12.655 565 HG3 LYS 69 1HG LYS 69 11.798 -0.472 12.700 566 HD2 LYS 69 2HD LYS 69 11.583 -1.925 14.674 567 HD3 LYS 69 1HD LYS 69 11.586 -0.229 15.166 568 HE2 LYS 69 2HE LYS 69 9.123 -0.281 15.374 569 HE3 LYS 69 1HE LYS 69 9.105 -1.969 14.856 570 HZ1 LYS 69 1HZ LYS 69 10.313 -2.578 16.817 571 HZ2 LYS 69 2HZ LYS 69 8.949 -1.694 17.274 572 HZ3 LYS 69 3HZ LYS 69 10.477 -0.970 17.293 573 H GLN 70 H GLN 70 7.139 0.597 12.561 574 HA GLN 70 HA GLN 70 6.696 -2.087 11.790 575 HB2 GLN 70 2HB GLN 70 4.711 0.090 12.564 576 HB3 GLN 70 1HB GLN 70 4.281 -1.607 12.362 577 HG2 GLN 70 2HG GLN 70 5.814 -2.203 14.219 578 HG3 GLN 70 1HG GLN 70 6.211 -0.499 14.426 579 HE21 GLN 70 1HE2 GLN 70 2.974 -1.832 13.750 580 HE22 GLN 70 2HE2 GLN 70 2.283 -1.350 15.257 581 H THR 71 H THR 71 5.593 1.008 10.363 582 HA THR 71 HA THR 71 3.992 -0.234 8.368 583 HB THR 71 HB THR 71 3.715 2.163 9.284 584 HG1 THR 71 HG1 THR 71 3.434 1.313 6.627 585 HG21 THR 71 1HG2 THR 71 4.745 3.989 8.040 586 HG22 THR 71 2HG2 THR 71 5.680 2.852 7.069 587 HG23 THR 71 3HG2 THR 71 6.007 3.014 8.793 588 H LEU 72 H LEU 72 7.385 0.659 8.509 589 HA LEU 72 HA LEU 72 7.940 0.480 5.719 590 HB2 LEU 72 2HB LEU 72 9.770 0.227 8.128 591 HB3 LEU 72 1HB LEU 72 10.360 0.077 6.480 592 HG LEU 72 HG LEU 72 9.097 2.562 7.700 593 HD11 LEU 72 1HD1 LEU 72 11.958 2.023 6.849 594 HD12 LEU 72 2HD1 LEU 72 11.364 2.158 8.508 595 HD13 LEU 72 3HD1 LEU 72 11.319 3.559 7.444 596 HD21 LEU 72 1HD2 LEU 72 9.665 3.697 5.590 597 HD22 LEU 72 2HD2 LEU 72 8.477 2.422 5.345 598 HD23 LEU 72 3HD2 LEU 72 10.161 2.157 4.885 599 H ASP 73 H ASP 73 8.200 -1.764 8.415 600 HA ASP 73 HA ASP 73 9.203 -4.019 7.119 601 HB2 ASP 73 2HB ASP 73 9.130 -3.913 9.541 602 HB3 ASP 73 1HB ASP 73 7.385 -3.704 9.548 603 H ASN 74 H ASN 74 5.813 -3.200 7.859 604 HA ASN 74 HA ASN 74 4.656 -5.484 6.706 605 HB2 ASN 74 2HB ASN 74 3.351 -2.784 7.231 606 HB3 ASN 74 1HB ASN 74 2.508 -4.311 6.996 607 HD21 ASN 74 1HD2 ASN 74 4.540 -5.786 8.708 608 HD22 ASN 74 2HD2 ASN 74 4.125 -5.341 10.318 609 H GLU 75 H GLU 75 5.130 -2.201 5.412 610 HA GLU 75 HA GLU 75 3.625 -2.658 3.005 611 HB2 GLU 75 2HB GLU 75 3.649 -0.491 4.067 612 HB3 GLU 75 1HB GLU 75 5.393 -0.381 3.933 613 HG2 GLU 75 2HG GLU 75 5.228 -0.128 1.521 614 HG3 GLU 75 1HG GLU 75 3.482 -0.370 1.582 615 H GLN 76 H GLN 76 7.033 -2.978 3.863 616 HA GLN 76 HA GLN 76 8.009 -3.260 1.165 617 HB2 GLN 76 2HB GLN 76 9.552 -2.744 3.033 618 HB3 GLN 76 1HB GLN 76 9.203 -4.304 3.772 619 HG2 GLN 76 2HG GLN 76 10.214 -5.456 1.835 620 HG3 GLN 76 1HG GLN 76 10.528 -3.905 1.065 621 HE21 GLN 76 1HE2 GLN 76 11.022 -4.587 4.511 622 HE22 GLN 76 2HE2 GLN 76 12.739 -4.462 4.462 623 H LEU 77 H LEU 77 6.790 -5.488 3.640 624 HA LEU 77 HA LEU 77 7.125 -7.910 2.195 625 HB2 LEU 77 2HB LEU 77 5.120 -7.202 4.370 626 HB3 LEU 77 1HB LEU 77 5.400 -8.831 3.773 627 HG LEU 77 HG LEU 77 7.414 -7.109 5.279 628 HD11 LEU 77 1HD1 LEU 77 7.185 -8.754 7.090 629 HD12 LEU 77 2HD1 LEU 77 5.946 -9.614 6.169 630 HD13 LEU 77 3HD1 LEU 77 5.645 -7.970 6.736 631 HD21 LEU 77 1HD2 LEU 77 7.736 -9.921 4.181 632 HD22 LEU 77 2HD2 LEU 77 8.871 -9.110 5.264 633 HD23 LEU 77 3HD2 LEU 77 8.594 -8.469 3.649 634 H LEU 78 H LEU 78 4.518 -5.489 2.273 635 HA LEU 78 HA LEU 78 2.667 -6.780 0.552 636 HB2 LEU 78 2HB LEU 78 3.207 -3.803 0.915 637 HB3 LEU 78 1HB LEU 78 1.816 -4.465 0.070 638 HG LEU 78 HG LEU 78 2.379 -4.892 3.026 639 HD11 LEU 78 1HD1 LEU 78 0.386 -2.996 1.749 640 HD12 LEU 78 2HD1 LEU 78 1.940 -2.515 2.436 641 HD13 LEU 78 3HD1 LEU 78 0.709 -3.222 3.471 642 HD21 LEU 78 1HD2 LEU 78 -0.086 -5.535 1.365 643 HD22 LEU 78 2HD2 LEU 78 0.052 -5.710 3.117 644 HD23 LEU 78 3HD2 LEU 78 1.044 -6.704 2.056 645 H LYS 79 H LYS 79 5.365 -4.552 -0.062 646 HA LYS 79 HA LYS 79 5.101 -4.024 -2.755 647 HB2 LYS 79 2HB LYS 79 6.723 -2.872 -1.352 648 HB3 LYS 79 1HB LYS 79 7.604 -4.363 -1.054 649 HG2 LYS 79 2HG LYS 79 8.309 -4.423 -3.423 650 HG3 LYS 79 1HG LYS 79 7.428 -2.920 -3.724 651 HD2 LYS 79 2HD LYS 79 8.905 -1.672 -2.267 652 HD3 LYS 79 1HD LYS 79 9.647 -3.153 -1.654 653 HE2 LYS 79 2HE LYS 79 11.135 -2.013 -3.230 654 HE3 LYS 79 1HE LYS 79 10.646 -3.583 -3.866 655 HZ1 LYS 79 1HZ LYS 79 9.051 -2.480 -5.285 656 HZ2 LYS 79 2HZ LYS 79 10.589 -1.833 -5.547 657 HZ3 LYS 79 3HZ LYS 79 9.453 -0.974 -4.640 658 H GLY 80 H GLY 80 7.028 -6.679 -1.277 659 HA2 GLY 80 2HA GLY 80 7.665 -7.957 -3.766 660 HA3 GLY 80 1HA GLY 80 7.913 -8.616 -2.163 661 H LEU 81 H LEU 81 5.241 -8.724 -1.228 662 HA LEU 81 HA LEU 81 4.421 -11.241 -2.252 663 HB2 LEU 81 2HB LEU 81 4.059 -10.347 0.090 664 HB3 LEU 81 1HB LEU 81 2.782 -9.327 -0.527 665 HG LEU 81 HG LEU 81 2.653 -12.383 -0.670 666 HD11 LEU 81 1HD1 LEU 81 2.879 -11.731 1.683 667 HD12 LEU 81 2HD1 LEU 81 1.261 -12.341 1.352 668 HD13 LEU 81 3HD1 LEU 81 1.529 -10.603 1.524 669 HD21 LEU 81 1HD2 LEU 81 0.211 -12.063 -0.848 670 HD22 LEU 81 2HD2 LEU 81 1.054 -11.272 -2.175 671 HD23 LEU 81 3HD2 LEU 81 0.429 -10.308 -0.836 672 H LEU 82 H LEU 82 2.878 -8.035 -2.476 673 HA LEU 82 HA LEU 82 0.836 -8.816 -4.277 674 HB2 LEU 82 2HB LEU 82 1.893 -6.008 -3.743 675 HB3 LEU 82 1HB LEU 82 0.383 -6.398 -4.548 676 HG LEU 82 HG LEU 82 1.031 -6.914 -1.612 677 HD11 LEU 82 1HD1 LEU 82 0.640 -4.542 -2.076 678 HD12 LEU 82 2HD1 LEU 82 -0.693 -5.213 -1.139 679 HD13 LEU 82 3HD1 LEU 82 -0.893 -4.920 -2.870 680 HD21 LEU 82 1HD2 LEU 82 -1.302 -7.658 -1.372 681 HD22 LEU 82 2HD2 LEU 82 -0.405 -8.700 -2.473 682 HD23 LEU 82 3HD2 LEU 82 -1.539 -7.510 -3.116 683 H GLN 83 H GLN 83 4.200 -7.701 -4.791 684 HA GLN 83 HA GLN 83 4.025 -7.156 -7.553 685 HB2 GLN 83 2HB GLN 83 6.064 -6.712 -6.118 686 HB3 GLN 83 1HB GLN 83 6.432 -8.432 -6.178 687 HG2 GLN 83 2HG GLN 83 6.564 -8.240 -8.692 688 HG3 GLN 83 1HG GLN 83 6.358 -6.498 -8.518 689 HE21 GLN 83 1HE2 GLN 83 8.288 -8.626 -6.430 690 HE22 GLN 83 2HE2 GLN 83 9.810 -7.928 -6.850 691 H GLN 84 H GLN 84 4.680 -10.210 -5.838 692 HA GLN 84 HA GLN 84 4.869 -11.957 -8.023 693 HB2 GLN 84 2HB GLN 84 3.631 -12.537 -5.299 694 HB3 GLN 84 1HB GLN 84 4.122 -13.751 -6.474 695 HG2 GLN 84 2HG GLN 84 6.484 -12.970 -6.219 696 HG3 GLN 84 1HG GLN 84 5.941 -11.865 -4.956 697 HE21 GLN 84 1HE2 GLN 84 4.743 -15.176 -5.466 698 HE22 GLN 84 2HE2 GLN 84 5.360 -15.804 -3.983 699 H ARG 85 H ARG 85 2.038 -10.977 -6.090 700 HA ARG 85 HA ARG 85 0.039 -12.446 -7.335 701 HB2 ARG 85 2HB ARG 85 -0.153 -9.699 -6.037 702 HB3 ARG 85 1HB ARG 85 -1.541 -10.695 -6.444 703 HG2 ARG 85 2HG ARG 85 0.604 -11.680 -4.553 704 HG3 ARG 85 1HG ARG 85 -0.726 -10.663 -4.003 705 HD2 ARG 85 2HD ARG 85 -1.421 -12.850 -3.537 706 HD3 ARG 85 1HD ARG 85 -2.294 -12.427 -5.004 707 HE ARG 85 HE ARG 85 -0.251 -13.754 -6.067 708 HH11 ARG 85 1HH1 ARG 85 -2.161 -14.584 -3.200 709 HH12 ARG 85 2HH1 ARG 85 -1.932 -16.292 -3.410 710 HH21 ARG 85 1HH2 ARG 85 0.023 -16.020 -6.296 711 HH22 ARG 85 2HH2 ARG 85 -0.707 -17.097 -5.146 712 H LEU 86 H LEU 86 1.249 -9.176 -8.162 713 HA LEU 86 HA LEU 86 -0.703 -8.680 -10.198 714 HB2 LEU 86 2HB LEU 86 1.919 -7.267 -9.549 715 HB3 LEU 86 1HB LEU 86 0.817 -6.726 -10.809 716 HG LEU 86 HG LEU 86 0.243 -6.812 -7.821 717 HD11 LEU 86 1HD1 LEU 86 0.052 -4.375 -8.003 718 HD12 LEU 86 2HD1 LEU 86 0.467 -4.454 -9.717 719 HD13 LEU 86 3HD1 LEU 86 1.651 -4.931 -8.496 720 HD21 LEU 86 1HD2 LEU 86 -1.640 -6.088 -10.087 721 HD22 LEU 86 2HD2 LEU 86 -1.955 -5.801 -8.375 722 HD23 LEU 86 3HD2 LEU 86 -1.791 -7.448 -8.969 723 H ASP 87 H ASP 87 2.580 -9.962 -10.194 724 HA ASP 87 HA ASP 87 2.997 -9.988 -13.015 725 HB2 ASP 87 2HB ASP 87 4.855 -10.188 -11.374 726 HB3 ASP 87 1HB ASP 87 4.239 -11.745 -10.836 727 H GLU 88 H GLU 88 1.612 -12.270 -10.711 728 HA GLU 88 HA GLU 88 1.165 -14.474 -12.447 729 HB2 GLU 88 2HB GLU 88 -0.195 -13.651 -9.842 730 HB3 GLU 88 1HB GLU 88 -0.488 -15.187 -10.651 731 HG2 GLU 88 2HG GLU 88 1.833 -15.867 -10.317 732 HG3 GLU 88 1HG GLU 88 2.236 -14.289 -9.651 733 H LEU 89 H LEU 89 -1.041 -11.939 -11.208 734 HA LEU 89 HA LEU 89 -3.339 -12.654 -12.613 735 HB2 LEU 89 2HB LEU 89 -2.521 -9.909 -11.547 736 HB3 LEU 89 1HB LEU 89 -4.123 -10.287 -12.160 737 HG LEU 89 HG LEU 89 -2.839 -11.539 -9.693 738 HD11 LEU 89 1HD1 LEU 89 -4.524 -10.285 -8.406 739 HD12 LEU 89 2HD1 LEU 89 -5.113 -9.533 -9.893 740 HD13 LEU 89 3HD1 LEU 89 -3.477 -9.198 -9.324 741 HD21 LEU 89 1HD2 LEU 89 -5.028 -12.604 -9.297 742 HD22 LEU 89 2HD2 LEU 89 -4.303 -13.158 -10.804 743 HD23 LEU 89 3HD2 LEU 89 -5.620 -11.982 -10.840 744 H SER 90 H SER 90 -0.774 -10.325 -13.465 745 HA SER 90 HA SER 90 -1.778 -9.315 -15.870 746 HB2 SER 90 2HB SER 90 0.171 -8.325 -14.778 747 HB3 SER 90 1HB SER 90 1.107 -9.798 -15.014 748 HG SER 90 HG SER 90 1.706 -8.918 -16.813 749 H SER 91 H SER 91 0.312 -12.146 -15.296 750 HA SER 91 HA SER 91 0.654 -12.931 -17.989 751 HB2 SER 91 2HB SER 91 2.111 -13.669 -16.114 752 HB3 SER 91 1HB SER 91 0.788 -14.637 -15.463 753 HG SER 91 HG SER 91 1.623 -15.021 -18.123 754 H LEU 92 H LEU 92 -1.824 -13.727 -15.575 755 HA LEU 92 HA LEU 92 -3.193 -15.729 -17.074 756 HB2 LEU 92 2HB LEU 92 -4.186 -13.966 -14.791 757 HB3 LEU 92 1HB LEU 92 -5.040 -15.369 -15.414 758 HG LEU 92 HG LEU 92 -2.325 -15.433 -14.032 759 HD11 LEU 92 1HD1 LEU 92 -3.479 -16.525 -12.159 760 HD12 LEU 92 2HD1 LEU 92 -5.028 -16.334 -12.984 761 HD13 LEU 92 3HD1 LEU 92 -4.126 -14.911 -12.458 762 HD21 LEU 92 1HD2 LEU 92 -4.016 -17.743 -15.045 763 HD22 LEU 92 2HD2 LEU 92 -2.544 -17.892 -14.078 764 HD23 LEU 92 3HD2 LEU 92 -2.466 -17.207 -15.699 765 H ILE 93 H ILE 93 -3.634 -12.236 -16.683 766 HA ILE 93 HA ILE 93 -6.061 -11.868 -18.074 767 HB ILE 93 HB ILE 93 -3.757 -9.927 -17.521 768 HG12 ILE 93 2HG1 ILE 93 -6.517 -10.066 -16.216 769 HG13 ILE 93 1HG1 ILE 93 -5.070 -10.788 -15.531 770 HG21 ILE 93 1HG2 ILE 93 -5.281 -8.056 -18.098 771 HG22 ILE 93 2HG2 ILE 93 -6.489 -9.218 -18.649 772 HG23 ILE 93 3HG2 ILE 93 -4.948 -9.087 -19.493 773 HD11 ILE 93 1HD1 ILE 93 -5.546 -8.695 -14.454 774 HD12 ILE 93 2HD1 ILE 93 -5.545 -7.848 -15.999 775 HD13 ILE 93 3HD1 ILE 93 -4.049 -8.551 -15.374 776 H GLY 94 H GLY 94 -2.659 -11.863 -19.134 777 HA2 GLY 94 2HA GLY 94 -3.006 -10.879 -21.752 778 HA3 GLY 94 1HA GLY 94 -1.668 -11.879 -21.208 779 H GLN 95 H GLN 95 -3.538 -14.064 -20.433 780 HA GLN 95 HA GLN 95 -3.605 -15.484 -22.952 781 HB2 GLN 95 2HB GLN 95 -4.590 -16.328 -20.188 782 HB3 GLN 95 1HB GLN 95 -4.364 -17.398 -21.567 783 HG2 GLN 95 2HG GLN 95 -2.152 -15.873 -20.161 784 HG3 GLN 95 1HG GLN 95 -2.541 -17.574 -19.910 785 HE21 GLN 95 1HE2 GLN 95 -2.019 -19.072 -21.545 786 HE22 GLN 95 2HE2 GLN 95 -0.905 -18.704 -22.813 787 H VAL 96 H VAL 96 -6.009 -14.066 -20.736 788 HA VAL 96 HA VAL 96 -8.230 -15.266 -22.283 789 HB VAL 96 HB VAL 96 -9.647 -14.758 -20.252 790 HG11 VAL 96 1HG1 VAL 96 -8.789 -16.667 -18.932 791 HG12 VAL 96 2HG1 VAL 96 -7.257 -16.592 -19.809 792 HG13 VAL 96 3HG1 VAL 96 -8.745 -17.006 -20.664 793 HG21 VAL 96 1HG2 VAL 96 -8.296 -12.967 -19.225 794 HG22 VAL 96 2HG2 VAL 96 -6.980 -14.099 -18.926 795 HG23 VAL 96 3HG2 VAL 96 -8.518 -14.295 -18.081 796 H LEU 97 H LEU 97 -6.801 -12.193 -21.739 797 HA LEU 97 HA LEU 97 -9.220 -10.678 -22.415 798 HB2 LEU 97 2HB LEU 97 -7.294 -9.888 -20.784 799 HB3 LEU 97 1HB LEU 97 -6.447 -9.432 -22.246 800 HG LEU 97 HG LEU 97 -9.156 -8.319 -21.355 801 HD11 LEU 97 1HD1 LEU 97 -6.430 -7.001 -21.259 802 HD12 LEU 97 2HD1 LEU 97 -7.395 -7.537 -19.882 803 HD13 LEU 97 3HD1 LEU 97 -7.969 -6.215 -20.892 804 HD21 LEU 97 1HD2 LEU 97 -7.453 -7.418 -23.693 805 HD22 LEU 97 2HD2 LEU 97 -8.920 -6.626 -23.112 806 HD23 LEU 97 3HD2 LEU 97 -9.008 -8.249 -23.790 807 H PHE 98 H PHE 98 -9.794 -10.669 -24.463 808 HA PHE 98 HA PHE 98 -7.761 -10.487 -26.609 809 HB2 PHE 98 2HB PHE 98 -10.652 -11.430 -26.866 810 HB3 PHE 98 1HB PHE 98 -9.422 -11.439 -28.129 811 HD1 PHE 98 HD1 PHE 98 -7.319 -12.903 -27.746 812 HD2 PHE 98 HD2 PHE 98 -10.912 -13.320 -25.457 813 HE1 PHE 98 HE1 PHE 98 -6.637 -15.165 -27.062 814 HE2 PHE 98 HE2 PHE 98 -10.215 -15.579 -24.793 815 HZ PHE 98 HZ PHE 98 -8.084 -16.502 -25.589 816 H GLN 99 H GLN 99 -7.566 -8.510 -27.326 817 HA GLN 99 HA GLN 99 -9.915 -6.761 -27.727 818 HB2 GLN 99 2HB GLN 99 -8.369 -4.808 -27.043 819 HB3 GLN 99 1HB GLN 99 -9.009 -5.817 -25.757 820 HG2 GLN 99 2HG GLN 99 -6.748 -5.369 -25.208 821 HG3 GLN 99 1HG GLN 99 -6.820 -7.049 -25.707 822 HE21 GLN 99 1HE2 GLN 99 -6.725 -4.315 -27.947 823 HE22 GLN 99 2HE2 GLN 99 -5.132 -4.625 -28.530 824 H GLY 100 H GLY 100 -7.713 -8.494 -29.211 825 HA2 GLY 100 2HA GLY 100 -7.883 -7.472 -31.737 826 HA3 GLY 100 1HA GLY 100 -6.454 -6.691 -31.053 827 HA PRO 101 HA PRO 101 -3.897 -10.289 -31.828 828 HB2 PRO 101 2HB PRO 101 -2.945 -10.166 -28.965 829 HB3 PRO 101 1HB PRO 101 -2.003 -10.100 -30.471 830 HG2 PRO 101 2HG PRO 101 -2.359 -7.893 -29.052 831 HG3 PRO 101 1HG PRO 101 -2.464 -7.836 -30.830 832 HD2 PRO 101 2HD PRO 101 -4.717 -7.900 -28.814 833 HD3 PRO 101 1HD PRO 101 -4.529 -6.882 -30.263 834 H SER 102 H SER 102 -3.716 -12.524 -31.437 835 HA SER 102 HA SER 102 -4.472 -14.612 -31.076 836 HB2 SER 102 2HB SER 102 -5.179 -13.535 -28.318 837 HB3 SER 102 1HB SER 102 -5.186 -15.243 -28.757 838 HG SER 102 HG SER 102 -3.225 -14.881 -27.888 839 H ALA 103 H ALA 103 -6.327 -12.463 -32.102 840 HA ALA 103 HA ALA 103 -8.763 -14.093 -32.125 841 HB1 ALA 103 1HB ALA 103 -10.206 -12.120 -31.709 842 HB2 ALA 103 2HB ALA 103 -8.770 -11.136 -31.409 843 HB3 ALA 103 3HB ALA 103 -9.167 -12.468 -30.323 844 H GLY 104 H GLY 104 -9.450 -14.282 -34.178 845 HA2 GLY 104 2HA GLY 104 -8.174 -13.042 -36.385 846 HA3 GLY 104 1HA GLY 104 -9.637 -14.017 -36.456 847 H LEU 105 H LEU 105 -11.313 -12.479 -34.826 848 HA LEU 105 HA LEU 105 -11.957 -10.166 -36.465 849 HB2 LEU 105 2HB LEU 105 -13.949 -9.991 -34.839 850 HB3 LEU 105 1HB LEU 105 -13.877 -11.394 -35.883 851 HG LEU 105 HG LEU 105 -13.028 -12.756 -33.919 852 HD11 LEU 105 1HD1 LEU 105 -12.111 -10.991 -32.497 853 HD12 LEU 105 2HD1 LEU 105 -13.327 -11.924 -31.631 854 HD13 LEU 105 3HD1 LEU 105 -13.724 -10.319 -32.254 855 HD21 LEU 105 1HD2 LEU 105 -15.747 -11.456 -33.549 856 HD22 LEU 105 2HD2 LEU 105 -15.233 -12.994 -32.850 857 HD23 LEU 105 3HD2 LEU 105 -15.384 -12.828 -34.597 858 H VAL 106 H VAL 106 -12.775 -8.159 -35.070 859 HA VAL 106 HA VAL 106 -10.591 -7.287 -33.283 860 HB VAL 106 HB VAL 106 -12.784 -5.572 -34.565 861 HG11 VAL 106 1HG1 VAL 106 -10.166 -4.745 -33.242 862 HG12 VAL 106 2HG1 VAL 106 -11.781 -4.556 -32.556 863 HG13 VAL 106 3HG1 VAL 106 -11.330 -3.653 -34.002 864 HG21 VAL 106 1HG2 VAL 106 -11.402 -6.578 -36.344 865 HG22 VAL 106 2HG2 VAL 106 -9.935 -5.972 -35.574 866 HG23 VAL 106 3HG2 VAL 106 -11.118 -4.839 -36.235 867 HA PRO 107 HA PRO 107 -13.974 -7.766 -30.151 868 HB2 PRO 107 2HB PRO 107 -12.599 -9.180 -28.311 869 HB3 PRO 107 1HB PRO 107 -13.101 -9.929 -29.841 870 HG2 PRO 107 2HG PRO 107 -10.393 -9.068 -28.983 871 HG3 PRO 107 1HG PRO 107 -10.861 -10.354 -30.110 872 HD2 PRO 107 2HD PRO 107 -10.032 -7.656 -30.753 873 HD3 PRO 107 1HD PRO 107 -10.508 -8.950 -31.871 874 H ARG 108 H ARG 108 -12.035 -5.416 -30.478 875 HA ARG 108 HA ARG 108 -11.262 -4.613 -27.819 876 HB2 ARG 108 2HB ARG 108 -9.963 -3.845 -29.742 877 HB3 ARG 108 1HB ARG 108 -11.377 -3.078 -30.449 878 HG2 ARG 108 2HG ARG 108 -11.402 -1.413 -28.634 879 HG3 ARG 108 1HG ARG 108 -10.032 -2.212 -27.864 880 HD2 ARG 108 2HD ARG 108 -9.419 -0.157 -29.176 881 HD3 ARG 108 1HD ARG 108 -8.562 -1.615 -29.685 882 HE ARG 108 HE ARG 108 -10.976 -1.032 -31.170 883 HH11 ARG 108 1HH1 ARG 108 -7.495 -0.483 -31.076 884 HH12 ARG 108 2HH1 ARG 108 -7.396 -0.138 -32.774 885 HH21 ARG 108 1HH2 ARG 108 -10.812 -0.680 -33.382 886 HH22 ARG 108 2HH2 ARG 108 -9.282 -0.253 -34.080 887 H GLY 109 H GLY 109 -13.274 -4.930 -26.766 888 HA2 GLY 109 2HA GLY 109 -15.225 -2.691 -27.057 889 HA3 GLY 109 1HA GLY 109 -15.657 -4.317 -26.535 890 H SER 110 H SER 110 -13.221 -1.873 -25.729 891 HA SER 110 HA SER 110 -12.943 -2.633 -23.003 892 HB2 SER 110 2HB SER 110 -12.082 -0.038 -24.346 893 HB3 SER 110 1HB SER 110 -11.396 -0.756 -22.886 894 HG SER 110 HG SER 110 -10.503 -2.365 -24.096 895 H GLY 111 H GLY 111 -15.137 -2.587 -22.290 896 HA2 GLY 111 2HA GLY 111 -16.056 -0.378 -20.869 897 HA3 GLY 111 1HA GLY 111 -16.859 -0.329 -22.439 898 H GLY 112 H GLY 112 -17.110 -3.084 -22.920 899 HA2 GLY 112 2HA GLY 112 -18.349 -4.551 -20.849 900 HA3 GLY 112 1HA GLY 112 -19.582 -3.634 -21.707 901 H ILE 113 H ILE 113 -17.110 -6.107 -22.024 902 HA ILE 113 HA ILE 113 -17.811 -7.028 -24.653 903 HB ILE 113 HB ILE 113 -16.358 -8.527 -22.405 904 HG12 ILE 113 2HG1 ILE 113 -15.068 -6.836 -24.598 905 HG13 ILE 113 1HG1 ILE 113 -15.283 -6.298 -22.938 906 HG21 ILE 113 1HG2 ILE 113 -16.237 -8.982 -25.407 907 HG22 ILE 113 2HG2 ILE 113 -17.060 -10.015 -24.237 908 HG23 ILE 113 3HG2 ILE 113 -15.304 -9.859 -24.190 909 HD11 ILE 113 1HD1 ILE 113 -13.811 -8.144 -22.180 910 HD12 ILE 113 2HD1 ILE 113 -13.019 -7.018 -23.282 911 HD13 ILE 113 3HD1 ILE 113 -13.550 -8.592 -23.872 912 H GLU 114 H GLU 114 -18.901 -9.171 -25.054 913 HA GLU 114 HA GLU 114 -21.079 -9.752 -23.155 914 HB2 GLU 114 2HB GLU 114 -22.210 -10.900 -24.966 915 HB3 GLU 114 1HB GLU 114 -21.677 -9.337 -25.552 916 HG2 GLU 114 2HG GLU 114 -20.211 -11.931 -26.121 917 HG3 GLU 114 1HG GLU 114 -21.438 -11.251 -27.180 918 H GLY 115 H GLY 115 -21.588 -11.993 -22.614 919 HA2 GLY 115 2HA GLY 115 -21.155 -14.262 -22.309 920 HA3 GLY 115 1HA GLY 115 -19.619 -14.090 -23.143 921 H SER 428 H SER 428 -19.327 -15.633 -21.137 922 HA SER 428 HA SER 428 -18.946 -14.474 -18.546 923 HB2 SER 428 2HB SER 428 -19.471 -16.890 -18.899 924 HB3 SER 428 1HB SER 428 -17.883 -17.128 -19.622 925 HG SER 428 HG SER 428 -18.155 -16.039 -17.023 926 H ILE 429 H ILE 429 -16.983 -14.655 -21.390 927 HA ILE 429 HA ILE 429 -14.382 -14.460 -20.409 928 HB ILE 429 HB ILE 429 -14.768 -14.803 -22.767 929 HG12 ILE 429 2HG1 ILE 429 -12.649 -13.403 -22.017 930 HG13 ILE 429 1HG1 ILE 429 -13.000 -13.608 -23.720 931 HG21 ILE 429 1HG2 ILE 429 -15.639 -13.098 -24.308 932 HG22 ILE 429 2HG2 ILE 429 -15.982 -12.043 -22.935 933 HG23 ILE 429 3HG2 ILE 429 -16.823 -13.586 -23.092 934 HD11 ILE 429 1HD1 ILE 429 -13.563 -11.123 -22.092 935 HD12 ILE 429 2HD1 ILE 429 -13.893 -11.322 -23.814 936 HD13 ILE 429 3HD1 ILE 429 -12.232 -11.360 -23.224 937 H ASP 430 H ASP 430 -16.787 -11.893 -20.946 938 HA ASP 430 HA ASP 430 -15.270 -9.633 -20.397 939 HB2 ASP 430 2HB ASP 430 -17.522 -9.469 -21.302 940 HB3 ASP 430 1HB ASP 430 -18.217 -10.183 -19.853 941 H GLU 431 H GLU 431 -17.261 -11.569 -18.194 942 HA GLU 431 HA GLU 431 -16.908 -9.977 -15.902 943 HB2 GLU 431 2HB GLU 431 -17.761 -12.888 -16.177 944 HB3 GLU 431 1HB GLU 431 -17.923 -11.933 -14.705 945 HG2 GLU 431 2HG GLU 431 -19.452 -10.372 -15.889 946 HG3 GLU 431 1HG GLU 431 -19.288 -11.344 -17.353 947 H THR 432 H THR 432 -15.386 -13.121 -16.802 948 HA THR 432 HA THR 432 -13.860 -13.394 -14.460 949 HB THR 432 HB THR 432 -14.283 -15.326 -15.921 950 HG1 THR 432 HG1 THR 432 -11.747 -15.789 -16.119 951 HG21 THR 432 1HG2 THR 432 -12.994 -15.718 -17.981 952 HG22 THR 432 2HG2 THR 432 -12.295 -14.102 -17.863 953 HG23 THR 432 3HG2 THR 432 -14.026 -14.293 -18.147 954 H VAL 433 H VAL 433 -12.940 -12.002 -17.640 955 HA VAL 433 HA VAL 433 -10.242 -11.414 -17.007 956 HB VAL 433 HB VAL 433 -12.108 -10.130 -19.053 957 HG11 VAL 433 1HG1 VAL 433 -10.262 -8.583 -18.581 958 HG12 VAL 433 2HG1 VAL 433 -10.089 -9.281 -20.189 959 HG13 VAL 433 3HG1 VAL 433 -9.084 -9.868 -18.863 960 HG21 VAL 433 1HG2 VAL 433 -10.988 -11.566 -20.702 961 HG22 VAL 433 2HG2 VAL 433 -11.722 -12.539 -19.427 962 HG23 VAL 433 3HG2 VAL 433 -9.981 -12.267 -19.433 963 H ALA 434 H ALA 434 -13.227 -9.482 -16.810 964 HA ALA 434 HA ALA 434 -12.097 -7.032 -16.039 965 HB1 ALA 434 1HB ALA 434 -14.360 -6.417 -15.307 966 HB2 ALA 434 2HB ALA 434 -14.860 -8.111 -15.393 967 HB3 ALA 434 3HB ALA 434 -14.396 -7.248 -16.861 968 H ARG 435 H ARG 435 -12.948 -9.888 -14.117 969 HA ARG 435 HA ARG 435 -12.720 -8.608 -11.555 970 HB2 ARG 435 2HB ARG 435 -12.606 -11.567 -12.289 971 HB3 ARG 435 1HB ARG 435 -12.637 -10.955 -10.642 972 HG2 ARG 435 2HG ARG 435 -14.853 -10.769 -12.703 973 HG3 ARG 435 1HG ARG 435 -14.847 -11.706 -11.213 974 HD2 ARG 435 2HD ARG 435 -14.757 -9.554 -9.925 975 HD3 ARG 435 1HD ARG 435 -14.902 -8.678 -11.450 976 HE ARG 435 HE ARG 435 -16.972 -10.491 -10.341 977 HH11 ARG 435 1HH1 ARG 435 -16.175 -7.561 -12.145 978 HH12 ARG 435 2HH1 ARG 435 -17.836 -7.123 -12.376 979 HH21 ARG 435 1HH2 ARG 435 -19.114 -9.897 -10.634 980 HH22 ARG 435 2HH2 ARG 435 -19.499 -8.453 -11.516 981 H TYR 436 H TYR 436 -10.515 -10.648 -13.528 982 HA TYR 436 HA TYR 436 -8.279 -10.526 -11.778 983 HB2 TYR 436 2HB TYR 436 -8.401 -10.947 -14.792 984 HB3 TYR 436 1HB TYR 436 -6.912 -11.075 -13.864 985 HD1 TYR 436 HD1 TYR 436 -7.098 -12.750 -11.740 986 HD2 TYR 436 HD2 TYR 436 -9.526 -12.971 -15.255 987 HE1 TYR 436 HE1 TYR 436 -7.545 -15.127 -11.291 988 HE2 TYR 436 HE2 TYR 436 -9.973 -15.341 -14.793 989 HH TYR 436 HH TYR 436 -9.251 -16.811 -11.820 990 H LYS 437 H LYS 437 -9.455 -8.363 -14.289 991 HA LYS 437 HA LYS 437 -7.127 -6.706 -14.488 992 HB2 LYS 437 2HB LYS 437 -8.616 -6.865 -16.406 993 HB3 LYS 437 1HB LYS 437 -9.996 -6.308 -15.464 994 HG2 LYS 437 2HG LYS 437 -9.032 -4.074 -15.278 995 HG3 LYS 437 1HG LYS 437 -7.546 -4.608 -16.061 996 HD2 LYS 437 2HD LYS 437 -8.725 -4.952 -18.177 997 HD3 LYS 437 1HD LYS 437 -10.276 -4.595 -17.406 998 HE2 LYS 437 2HE LYS 437 -9.418 -2.673 -18.716 999 HE3 LYS 437 1HE LYS 437 -9.584 -2.278 -17.006 1000 HZ1 LYS 437 1HZ LYS 437 -7.035 -3.022 -18.359 1001 HZ2 LYS 437 2HZ LYS 437 -7.201 -2.590 -16.734 1002 HZ3 LYS 437 3HZ LYS 437 -7.498 -1.450 -17.946 1003 H ALA 438 H ALA 438 -10.228 -6.490 -12.767 1004 HA ALA 438 HA ALA 438 -9.883 -3.904 -11.667 1005 HB1 ALA 438 1HB ALA 438 -11.680 -4.517 -10.120 1006 HB2 ALA 438 2HB ALA 438 -11.520 -6.217 -10.579 1007 HB3 ALA 438 3HB ALA 438 -12.065 -5.027 -11.765 1008 H GLN 439 H GLN 439 -9.264 -7.160 -10.303 1009 HA GLN 439 HA GLN 439 -8.153 -6.366 -7.853 1010 HB2 GLN 439 2HB GLN 439 -7.757 -8.866 -9.535 1011 HB3 GLN 439 1HB GLN 439 -7.008 -8.675 -7.955 1012 HG2 GLN 439 2HG GLN 439 -9.976 -8.750 -8.556 1013 HG3 GLN 439 1HG GLN 439 -9.023 -9.989 -7.740 1014 HE21 GLN 439 1HE2 GLN 439 -10.681 -6.979 -7.381 1015 HE22 GLN 439 2HE2 GLN 439 -10.447 -6.809 -5.677 1016 H PHE 440 H PHE 440 -6.614 -6.931 -11.015 1017 HA PHE 440 HA PHE 440 -3.934 -6.579 -10.288 1018 HB2 PHE 440 2HB PHE 440 -4.612 -7.449 -12.506 1019 HB3 PHE 440 1HB PHE 440 -5.279 -5.881 -12.943 1020 HD1 PHE 440 HD1 PHE 440 -2.125 -7.717 -12.212 1021 HD2 PHE 440 HD2 PHE 440 -3.826 -4.123 -13.800 1022 HE1 PHE 440 HE1 PHE 440 0.074 -7.049 -13.087 1023 HE2 PHE 440 HE2 PHE 440 -1.618 -3.471 -14.673 1024 HZ PHE 440 HZ PHE 440 0.331 -4.932 -14.314 1025 H THR 441 H THR 441 -6.286 -4.200 -11.521 1026 HA THR 441 HA THR 441 -4.557 -1.967 -11.610 1027 HB THR 441 HB THR 441 -7.610 -2.126 -11.606 1028 HG1 THR 441 HG1 THR 441 -6.270 -3.171 -13.339 1029 HG21 THR 441 1HG2 THR 441 -5.843 0.198 -12.496 1030 HG22 THR 441 2HG2 THR 441 -6.898 0.195 -11.080 1031 HG23 THR 441 3HG2 THR 441 -7.595 0.097 -12.696 1032 H GLN 442 H GLN 442 -6.680 -3.201 -9.085 1033 HA GLN 442 HA GLN 442 -6.631 -0.838 -7.430 1034 HB2 GLN 442 2HB GLN 442 -7.637 -3.672 -7.031 1035 HB3 GLN 442 1HB GLN 442 -7.700 -2.475 -5.737 1036 HG2 GLN 442 2HG GLN 442 -9.115 -1.019 -7.099 1037 HG3 GLN 442 1HG GLN 442 -8.996 -2.131 -8.459 1038 HE21 GLN 442 1HE2 GLN 442 -9.355 -4.568 -7.035 1039 HE22 GLN 442 2HE2 GLN 442 -10.989 -4.611 -6.480 1040 H LEU 443 H LEU 443 -5.056 -4.055 -7.234 1041 HA LEU 443 HA LEU 443 -3.370 -3.362 -5.019 1042 HB2 LEU 443 2HB LEU 443 -3.362 -5.641 -7.020 1043 HB3 LEU 443 1HB LEU 443 -2.020 -5.437 -5.913 1044 HG LEU 443 HG LEU 443 -3.532 -5.791 -3.971 1045 HD11 LEU 443 1HD1 LEU 443 -5.836 -6.552 -4.223 1046 HD12 LEU 443 2HD1 LEU 443 -5.754 -6.295 -5.967 1047 HD13 LEU 443 3HD1 LEU 443 -5.638 -4.922 -4.866 1048 HD21 LEU 443 1HD2 LEU 443 -2.372 -7.718 -4.945 1049 HD22 LEU 443 2HD2 LEU 443 -3.720 -8.001 -6.050 1050 HD23 LEU 443 3HD2 LEU 443 -3.945 -8.195 -4.309 1051 H ASP 444 H ASP 444 -3.262 -2.673 -8.399 1052 HA ASP 444 HA ASP 444 -0.437 -2.195 -8.712 1053 HB2 ASP 444 2HB ASP 444 -1.874 -2.771 -10.646 1054 HB3 ASP 444 1HB ASP 444 -2.820 -1.311 -10.405 1055 H THR 445 H THR 445 -3.319 -0.062 -8.344 1056 HA THR 445 HA THR 445 -1.821 2.358 -8.214 1057 HB THR 445 HB THR 445 -4.181 2.502 -8.843 1058 HG1 THR 445 HG1 THR 445 -3.937 3.819 -6.330 1059 HG21 THR 445 1HG2 THR 445 -6.015 2.216 -7.224 1060 HG22 THR 445 2HG2 THR 445 -4.867 1.670 -5.999 1061 HG23 THR 445 3HG2 THR 445 -5.136 0.700 -7.448 1062 H MET 446 H MET 446 -3.008 0.058 -5.794 1063 HA MET 446 HA MET 446 -2.229 1.412 -3.467 1064 HB2 MET 446 2HB MET 446 -3.588 -0.718 -3.455 1065 HB3 MET 446 1HB MET 446 -2.139 -1.619 -3.893 1066 HG2 MET 446 2HG MET 446 -1.053 -0.829 -1.800 1067 HG3 MET 446 1HG MET 446 -2.545 -0.002 -1.360 1068 HE1 MET 446 1HE MET 446 -2.351 -2.926 1.207 1069 HE2 MET 446 2HE MET 446 -2.510 -1.186 0.995 1070 HE3 MET 446 3HE MET 446 -1.004 -1.996 0.556 1071 H MET 447 H MET 447 -0.434 -0.752 -5.667 1072 HA MET 447 HA MET 447 1.934 -0.901 -4.131 1073 HB2 MET 447 2HB MET 447 1.477 -2.617 -5.776 1074 HB3 MET 447 1HB MET 447 1.525 -1.445 -7.088 1075 HG2 MET 447 2HG MET 447 3.903 -1.123 -6.820 1076 HG3 MET 447 1HG MET 447 3.919 -2.042 -5.315 1077 HE1 MET 447 1HE MET 447 2.127 -4.419 -5.828 1078 HE2 MET 447 2HE MET 447 3.747 -4.636 -5.156 1079 HE3 MET 447 3HE MET 447 3.208 -5.628 -6.506 1080 H SER 448 H SER 448 1.101 1.144 -6.932 1081 HA SER 448 HA SER 448 3.613 2.369 -7.256 1082 HB2 SER 448 2HB SER 448 2.241 4.178 -8.453 1083 HB3 SER 448 1HB SER 448 2.040 2.530 -9.050 1084 HG SER 448 HG SER 448 0.024 2.604 -8.510 1085 H LYS 449 H LYS 449 0.759 3.295 -5.353 1086 HA LYS 449 HA LYS 449 1.914 5.660 -4.260 1087 HB2 LYS 449 2HB LYS 449 -0.438 3.980 -3.329 1088 HB3 LYS 449 1HB LYS 449 0.020 5.520 -2.599 1089 HG2 LYS 449 2HG LYS 449 -0.296 6.635 -4.817 1090 HG3 LYS 449 1HG LYS 449 -0.836 5.093 -5.485 1091 HD2 LYS 449 2HD LYS 449 -2.779 6.474 -4.949 1092 HD3 LYS 449 1HD LYS 449 -2.734 5.080 -3.866 1093 HE2 LYS 449 2HE LYS 449 -1.836 6.465 -2.066 1094 HE3 LYS 449 1HE LYS 449 -1.738 7.859 -3.146 1095 HZ1 LYS 449 1HZ LYS 449 -4.229 6.495 -2.271 1096 HZ2 LYS 449 2HZ LYS 449 -4.156 7.781 -3.369 1097 HZ3 LYS 449 3HZ LYS 449 -3.674 8.009 -1.765 1098 H LEU 450 H LEU 450 1.804 2.254 -3.095 1099 HA LEU 450 HA LEU 450 2.941 2.969 -0.549 1100 HB2 LEU 450 2HB LEU 450 2.800 0.717 0.130 1101 HB3 LEU 450 1HB LEU 450 1.375 1.034 -0.817 1102 HG LEU 450 HG LEU 450 2.586 -0.231 -2.737 1103 HD11 LEU 450 1HD1 LEU 450 4.857 -0.353 -1.860 1104 HD12 LEU 450 2HD1 LEU 450 4.200 -1.972 -2.078 1105 HD13 LEU 450 3HD1 LEU 450 4.296 -1.268 -0.460 1106 HD21 LEU 450 1HD2 LEU 450 1.794 -2.406 -1.923 1107 HD22 LEU 450 2HD2 LEU 450 0.647 -1.123 -1.551 1108 HD23 LEU 450 3HD2 LEU 450 1.692 -1.762 -0.279 1109 H ASN 451 H ASN 451 4.230 2.332 -3.624 1110 HA ASN 451 HA ASN 451 6.905 1.605 -2.779 1111 HB2 ASN 451 2HB ASN 451 5.969 0.881 -4.998 1112 HB3 ASN 451 1HB ASN 451 5.946 2.560 -5.529 1113 HD21 ASN 451 1HD2 ASN 451 7.934 3.569 -6.060 1114 HD22 ASN 451 2HD2 ASN 451 9.394 2.666 -6.277 1115 H ASN 452 H ASN 452 5.252 4.484 -4.048 1116 HA ASN 452 HA ASN 452 7.342 6.362 -3.941 1117 HB2 ASN 452 2HB ASN 452 5.182 6.838 -5.059 1118 HB3 ASN 452 1HB ASN 452 4.340 6.759 -3.512 1119 HD21 ASN 452 1HD2 ASN 452 3.582 8.844 -3.432 1120 HD22 ASN 452 2HD2 ASN 452 4.589 10.249 -3.389 1121 H THR 453 H THR 453 4.863 5.497 -1.534 1122 HA THR 453 HA THR 453 5.645 7.295 0.470 1123 HB THR 453 HB THR 453 4.328 5.822 2.046 1124 HG1 THR 453 HG1 THR 453 3.866 3.864 1.468 1125 HG21 THR 453 1HG2 THR 453 2.118 6.149 0.975 1126 HG22 THR 453 2HG2 THR 453 2.904 6.435 -0.576 1127 HG23 THR 453 3HG2 THR 453 3.140 7.575 0.747 1128 H SER 454 H SER 454 6.288 3.733 0.249 1129 HA SER 454 HA SER 454 7.898 3.381 2.434 1130 HB2 SER 454 2HB SER 454 8.874 1.421 1.259 1131 HB3 SER 454 1HB SER 454 7.125 1.516 1.047 1132 HG SER 454 HG SER 454 7.370 1.935 -1.004 1133 H SER 455 H SER 455 8.883 4.559 -0.757 1134 HA SER 455 HA SER 455 11.656 4.659 -0.423 1135 HB2 SER 455 2HB SER 455 10.457 5.001 -2.588 1136 HB3 SER 455 1HB SER 455 9.908 6.580 -2.028 1137 HG SER 455 HG SER 455 12.544 5.716 -2.605 1138 H TYR 456 H TYR 456 9.314 7.413 0.003 1139 HA TYR 456 HA TYR 456 11.377 9.020 1.236 1140 HB2 TYR 456 2HB TYR 456 9.728 10.817 1.458 1141 HB3 TYR 456 1HB TYR 456 9.776 10.162 -0.165 1142 HD1 TYR 456 HD1 TYR 456 7.762 9.554 3.001 1143 HD2 TYR 456 HD2 TYR 456 7.699 10.104 -1.240 1144 HE1 TYR 456 HE1 TYR 456 5.315 9.505 3.030 1145 HE2 TYR 456 HE2 TYR 456 5.236 10.044 -1.200 1146 HH TYR 456 HH TYR 456 3.436 9.137 0.270 1147 H LEU 457 H LEU 457 9.165 6.752 2.512 1148 HA LEU 457 HA LEU 457 8.928 7.829 5.173 1149 HB2 LEU 457 2HB LEU 457 8.318 5.063 4.043 1150 HB3 LEU 457 1HB LEU 457 8.122 5.449 5.745 1151 HG LEU 457 HG LEU 457 6.550 6.649 3.431 1152 HD11 LEU 457 1HD1 LEU 457 5.854 4.367 4.011 1153 HD12 LEU 457 2HD1 LEU 457 4.614 5.526 4.482 1154 HD13 LEU 457 3HD1 LEU 457 5.677 4.826 5.707 1155 HD21 LEU 457 1HD2 LEU 457 6.957 8.377 5.082 1156 HD22 LEU 457 2HD2 LEU 457 6.410 7.315 6.380 1157 HD23 LEU 457 3HD2 LEU 457 5.273 7.867 5.150 1158 H THR 458 H THR 458 10.921 5.313 3.593 1159 HA THR 458 HA THR 458 12.342 4.632 5.981 1160 HB THR 458 HB THR 458 12.099 3.063 4.010 1161 HG1 THR 458 HG1 THR 458 13.776 2.057 4.802 1162 HG21 THR 458 1HG2 THR 458 13.724 3.165 2.169 1163 HG22 THR 458 2HG2 THR 458 14.353 4.696 2.779 1164 HG23 THR 458 3HG2 THR 458 12.704 4.607 2.157 1165 H GLN 459 H GLN 459 12.865 6.948 3.335 1166 HA GLN 459 HA GLN 459 15.397 7.920 4.182 1167 HB2 GLN 459 2HB GLN 459 13.133 9.205 2.623 1168 HB3 GLN 459 1HB GLN 459 14.635 10.054 2.957 1169 HG2 GLN 459 2HG GLN 459 15.843 8.130 1.791 1170 HG3 GLN 459 1HG GLN 459 14.254 7.567 1.272 1171 HE21 GLN 459 1HE2 GLN 459 15.212 10.994 1.506 1172 HE22 GLN 459 2HE2 GLN 459 15.175 11.286 -0.196 1173 H GLN 460 H GLN 460 12.084 8.891 5.049 1174 HA GLN 460 HA GLN 460 12.793 11.010 6.824 1175 HB2 GLN 460 2HB GLN 460 10.573 10.909 5.756 1176 HB3 GLN 460 1HB GLN 460 10.210 9.400 6.579 1177 HG2 GLN 460 2HG GLN 460 9.019 11.236 7.646 1178 HG3 GLN 460 1HG GLN 460 10.222 10.588 8.757 1179 HE21 GLN 460 1HE2 GLN 460 11.972 11.902 9.364 1180 HE22 GLN 460 2HE2 GLN 460 12.021 13.598 9.033 1181 H PHE 461 H PHE 461 12.504 7.535 7.203 1182 HA PHE 461 HA PHE 461 12.275 7.492 10.065 1183 HB2 PHE 461 2HB PHE 461 11.540 5.581 8.670 1184 HB3 PHE 461 1HB PHE 461 13.197 5.303 8.143 1185 HD1 PHE 461 HD1 PHE 461 11.664 5.949 11.533 1186 HD2 PHE 461 HD2 PHE 461 13.943 3.272 9.091 1187 HE1 PHE 461 HE1 PHE 461 11.980 4.457 13.451 1188 HE2 PHE 461 HE2 PHE 461 14.252 1.786 11.027 1189 HZ PHE 461 HZ PHE 461 13.271 2.382 13.204 1190 H THR 462 H THR 462 14.945 6.914 7.768 1191 HA THR 462 HA THR 462 17.042 6.565 9.563 1192 HB THR 462 HB THR 462 17.192 7.882 6.809 1193 HG1 THR 462 HG1 THR 462 16.546 5.954 6.230 1194 HG21 THR 462 1HG2 THR 462 19.300 8.162 8.114 1195 HG22 THR 462 2HG2 THR 462 19.528 7.063 6.754 1196 HG23 THR 462 3HG2 THR 462 19.358 6.419 8.388 1197 H ALA 463 H ALA 463 15.674 9.535 8.163 1198 HA ALA 463 HA ALA 463 17.545 11.354 9.315 1199 HB1 ALA 463 1HB ALA 463 16.002 13.088 8.523 1200 HB2 ALA 463 2HB ALA 463 14.763 11.866 8.209 1201 HB3 ALA 463 3HB ALA 463 16.267 11.863 7.284 1202 H MET 464 H MET 464 14.240 10.358 10.290 1203 HA MET 464 HA MET 464 13.934 12.310 12.357 1204 HB2 MET 464 2HB MET 464 11.998 11.220 11.223 1205 HB3 MET 464 1HB MET 464 12.410 9.692 11.979 1206 HG2 MET 464 2HG MET 464 11.900 10.619 14.189 1207 HG3 MET 464 1HG MET 464 11.571 12.198 13.472 1208 HE1 MET 464 1HE MET 464 8.258 11.512 11.460 1209 HE2 MET 464 2HE MET 464 9.906 11.532 10.832 1210 HE3 MET 464 3HE MET 464 9.390 12.749 12.002 1211 H ASN 465 H ASN 465 15.186 9.032 12.262 1212 HA ASN 465 HA ASN 465 15.535 8.849 15.150 1213 HB2 ASN 465 2HB ASN 465 14.924 6.845 13.797 1214 HB3 ASN 465 1HB ASN 465 16.447 6.960 12.928 1215 HD21 ASN 465 1HD2 ASN 465 16.677 4.722 13.679 1216 HD22 ASN 465 2HD2 ASN 465 17.325 4.421 15.256 1217 H LYS 466 H LYS 466 17.909 8.633 12.388 1218 HA LYS 466 HA LYS 466 19.739 10.388 13.915 1219 HB2 LYS 466 2HB LYS 466 21.706 9.142 13.025 1220 HB3 LYS 466 1HB LYS 466 20.723 8.189 14.116 1221 HG2 LYS 466 2HG LYS 466 20.447 7.918 11.110 1222 HG3 LYS 466 1HG LYS 466 21.692 7.045 11.997 1223 HD2 LYS 466 2HD LYS 466 18.694 6.806 12.501 1224 HD3 LYS 466 1HD LYS 466 19.664 5.670 11.564 1225 HE2 LYS 466 2HE LYS 466 20.099 6.285 14.509 1226 HE3 LYS 466 1HE LYS 466 19.239 4.880 13.884 1227 HZ1 LYS 466 1HZ LYS 466 21.245 4.130 12.822 1228 HZ2 LYS 466 2HZ LYS 466 21.535 4.384 14.467 1229 HZ3 LYS 466 3HZ LYS 466 22.086 5.505 13.331 1230 H SER 467 H SER 467 18.664 12.132 12.567 1231 HA SER 467 HA SER 467 19.460 12.461 9.856 1232 HB2 SER 467 2HB SER 467 19.058 14.948 10.332 1233 HB3 SER 467 1HB SER 467 17.701 13.870 10.646 1234 HG SER 467 HG SER 467 19.524 14.708 12.651 Start of MODEL 17 1 H1 MET 1 1H MET 1 -2.718 21.358 20.850 2 H2 MET 1 2H MET 1 -1.549 21.681 22.025 3 H3 MET 1 3H MET 1 -1.792 20.097 21.483 4 HA MET 1 HA MET 1 -0.798 22.353 19.855 5 HB2 MET 1 2HB MET 1 0.762 21.555 21.643 6 HB3 MET 1 1HB MET 1 0.666 19.928 20.994 7 HG2 MET 1 2HG MET 1 1.861 20.572 19.019 8 HG3 MET 1 1HG MET 1 1.718 22.283 19.418 9 HE1 MET 1 1HE MET 1 3.187 18.841 20.805 10 HE2 MET 1 2HE MET 1 2.535 19.622 22.247 11 HE3 MET 1 3HE MET 1 4.278 19.438 22.054 12 H THR 2 H THR 2 -2.105 22.018 18.108 13 HA THR 2 HA THR 2 -3.270 19.589 17.384 14 HB THR 2 HB THR 2 -3.927 20.867 15.238 15 HG1 THR 2 HG1 THR 2 -2.824 22.645 14.926 16 HG21 THR 2 1HG2 THR 2 -4.604 22.100 17.935 17 HG22 THR 2 2HG2 THR 2 -5.425 20.719 17.201 18 HG23 THR 2 3HG2 THR 2 -5.525 22.308 16.442 19 H SER 3 H SER 3 -0.552 21.302 15.772 20 HA SER 3 HA SER 3 -0.289 19.602 13.561 21 HB2 SER 3 2HB SER 3 1.845 21.246 14.971 22 HB3 SER 3 1HB SER 3 2.020 20.553 13.358 23 HG SER 3 HG SER 3 0.019 21.802 12.887 24 H THR 4 H THR 4 1.240 19.444 16.748 25 HA THR 4 HA THR 4 2.927 17.196 16.146 26 HB THR 4 HB THR 4 2.223 18.463 18.828 27 HG1 THR 4 HG1 THR 4 4.728 18.905 17.725 28 HG21 THR 4 1HG2 THR 4 4.508 16.598 18.081 29 HG22 THR 4 2HG2 THR 4 3.155 16.211 19.145 30 HG23 THR 4 3HG2 THR 4 4.333 17.429 19.629 31 H VAL 5 H VAL 5 -0.288 17.583 17.676 32 HA VAL 5 HA VAL 5 -0.342 14.887 18.678 33 HB VAL 5 HB VAL 5 -1.643 16.781 19.752 34 HG11 VAL 5 1HG1 VAL 5 -3.891 17.328 18.928 35 HG12 VAL 5 2HG1 VAL 5 -3.622 16.332 17.492 36 HG13 VAL 5 3HG1 VAL 5 -2.648 17.778 17.758 37 HG21 VAL 5 1HG2 VAL 5 -3.538 15.341 20.448 38 HG22 VAL 5 2HG2 VAL 5 -2.017 14.453 20.410 39 HG23 VAL 5 3HG2 VAL 5 -3.195 14.236 19.114 40 H GLU 6 H GLU 6 -1.682 16.510 15.783 41 HA GLU 6 HA GLU 6 -3.092 14.267 14.742 42 HB2 GLU 6 2HB GLU 6 -3.182 15.497 12.629 43 HB3 GLU 6 1HB GLU 6 -3.469 16.611 13.962 44 HG2 GLU 6 2HG GLU 6 -1.174 17.448 13.794 45 HG3 GLU 6 1HG GLU 6 -0.822 16.294 12.512 46 H PHE 7 H PHE 7 0.195 15.458 14.372 47 HA PHE 7 HA PHE 7 1.330 13.622 12.642 48 HB2 PHE 7 2HB PHE 7 2.491 15.582 13.451 49 HB3 PHE 7 1HB PHE 7 2.387 15.040 15.114 50 HD1 PHE 7 HD1 PHE 7 4.122 14.508 11.880 51 HD2 PHE 7 HD2 PHE 7 4.028 13.556 16.048 52 HE1 PHE 7 HE1 PHE 7 6.387 13.569 11.739 53 HE2 PHE 7 HE2 PHE 7 6.297 12.630 15.880 54 HZ PHE 7 HZ PHE 7 7.476 12.638 13.726 55 H ILE 8 H ILE 8 1.267 13.325 16.231 56 HA ILE 8 HA ILE 8 2.357 10.746 16.474 57 HB ILE 8 HB ILE 8 0.462 12.256 18.329 58 HG12 ILE 8 2HG1 ILE 8 3.497 11.963 18.514 59 HG13 ILE 8 1HG1 ILE 8 2.685 13.351 17.804 60 HG21 ILE 8 1HG2 ILE 8 1.249 10.780 20.164 61 HG22 ILE 8 2HG2 ILE 8 2.150 9.810 18.995 62 HG23 ILE 8 3HG2 ILE 8 0.388 9.877 18.920 63 HD11 ILE 8 1HD1 ILE 8 1.651 13.846 19.978 64 HD12 ILE 8 2HD1 ILE 8 3.413 13.842 20.043 65 HD13 ILE 8 3HD1 ILE 8 2.511 12.469 20.682 66 H ASN 9 H ASN 9 -1.038 11.729 16.695 67 HA ASN 9 HA ASN 9 -2.284 9.309 17.137 68 HB2 ASN 9 2HB ASN 9 -3.306 11.793 15.699 69 HB3 ASN 9 1HB ASN 9 -4.345 10.423 16.095 70 HD21 ASN 9 1HD2 ASN 9 -5.625 11.885 17.381 71 HD22 ASN 9 2HD2 ASN 9 -5.095 12.372 18.952 72 H ARG 10 H ARG 10 -1.606 10.848 13.983 73 HA ARG 10 HA ARG 10 -2.956 8.726 12.543 74 HB2 ARG 10 2HB ARG 10 -1.382 11.084 11.475 75 HB3 ARG 10 1HB ARG 10 -2.356 9.978 10.505 76 HG2 ARG 10 2HG ARG 10 -4.399 10.715 11.720 77 HG3 ARG 10 1HG ARG 10 -3.415 11.814 12.689 78 HD2 ARG 10 2HD ARG 10 -3.977 11.967 9.716 79 HD3 ARG 10 1HD ARG 10 -4.443 13.124 10.967 80 HE ARG 10 HE ARG 10 -1.588 12.649 10.464 81 HH11 ARG 10 1HH1 ARG 10 -4.304 14.872 10.212 82 HH12 ARG 10 2HH1 ARG 10 -3.282 16.230 9.864 83 HH21 ARG 10 1HH2 ARG 10 -0.314 14.434 9.996 84 HH22 ARG 10 2HH2 ARG 10 -1.041 15.986 9.740 85 H TRP 11 H TRP 11 0.429 9.468 13.366 86 HA TRP 11 HA TRP 11 1.564 7.515 11.605 87 HB2 TRP 11 2HB TRP 11 2.581 8.820 14.126 88 HB3 TRP 11 1HB TRP 11 3.445 7.441 13.466 89 HD1 TRP 11 HD1 TRP 11 3.517 11.079 13.307 90 HE1 TRP 11 HE1 TRP 11 4.807 11.896 11.259 91 HE3 TRP 11 HE3 TRP 11 3.726 6.713 10.630 92 HZ2 TRP 11 HZ2 TRP 11 5.792 10.894 8.858 93 HZ3 TRP 11 HZ3 TRP 11 4.877 6.746 8.452 94 HH2 TRP 11 HH2 TRP 11 5.890 8.799 7.588 95 H GLN 12 H GLN 12 0.324 7.344 14.928 96 HA GLN 12 HA GLN 12 0.690 4.616 15.434 97 HB2 GLN 12 2HB GLN 12 -0.168 6.245 17.126 98 HB3 GLN 12 1HB GLN 12 -1.691 6.345 16.246 99 HG2 GLN 12 2HG GLN 12 -1.897 3.805 16.640 100 HG3 GLN 12 1HG GLN 12 -0.567 3.995 17.781 101 HE21 GLN 12 1HE2 GLN 12 -1.838 3.373 19.537 102 HE22 GLN 12 2HE2 GLN 12 -3.094 4.362 20.186 103 H ARG 13 H ARG 13 -1.986 6.301 13.795 104 HA ARG 13 HA ARG 13 -3.571 4.084 13.134 105 HB2 ARG 13 2HB ARG 13 -3.245 6.721 11.645 106 HB3 ARG 13 1HB ARG 13 -4.475 5.525 11.257 107 HG2 ARG 13 2HG ARG 13 -4.239 7.067 13.860 108 HG3 ARG 13 1HG ARG 13 -5.413 7.343 12.570 109 HD2 ARG 13 2HD ARG 13 -6.274 5.023 12.943 110 HD3 ARG 13 1HD ARG 13 -5.199 4.883 14.337 111 HE ARG 13 HE ARG 13 -7.614 6.514 14.096 112 HH11 ARG 13 1HH1 ARG 13 -4.852 5.680 16.119 113 HH12 ARG 13 2HH1 ARG 13 -5.580 6.304 17.559 114 HH21 ARG 13 1HH2 ARG 13 -8.551 7.298 15.995 115 HH22 ARG 13 2HH2 ARG 13 -7.675 7.220 17.490 116 H ILE 14 H ILE 14 -0.873 5.564 11.332 117 HA ILE 14 HA ILE 14 -1.075 4.131 8.928 118 HB ILE 14 HB ILE 14 1.301 5.476 10.293 119 HG12 ILE 14 2HG1 ILE 14 -0.303 6.343 7.836 120 HG13 ILE 14 1HG1 ILE 14 -0.622 6.907 9.468 121 HG21 ILE 14 1HG2 ILE 14 1.261 4.378 7.459 122 HG22 ILE 14 2HG2 ILE 14 2.216 3.755 8.804 123 HG23 ILE 14 3HG2 ILE 14 2.545 5.364 8.171 124 HD11 ILE 14 1HD1 ILE 14 1.895 7.396 7.885 125 HD12 ILE 14 2HD1 ILE 14 1.594 7.956 9.533 126 HD13 ILE 14 3HD1 ILE 14 0.602 8.550 8.204 127 H ALA 15 H ALA 15 0.763 3.376 11.909 128 HA ALA 15 HA ALA 15 1.933 0.943 10.963 129 HB1 ALA 15 1HB ALA 15 2.855 2.196 12.859 130 HB2 ALA 15 2HB ALA 15 2.519 0.525 13.307 131 HB3 ALA 15 3HB ALA 15 1.424 1.814 13.822 132 H LEU 16 H LEU 16 -1.011 1.593 12.857 133 HA LEU 16 HA LEU 16 -1.726 -1.100 13.415 134 HB2 LEU 16 2HB LEU 16 -3.420 1.424 13.279 135 HB3 LEU 16 1HB LEU 16 -4.037 -0.123 13.838 136 HG LEU 16 HG LEU 16 -1.824 1.482 15.183 137 HD11 LEU 16 1HD1 LEU 16 -3.440 1.914 16.981 138 HD12 LEU 16 2HD1 LEU 16 -4.696 1.050 16.089 139 HD13 LEU 16 3HD1 LEU 16 -4.025 2.549 15.443 140 HD21 LEU 16 1HD2 LEU 16 -1.979 -0.180 17.012 141 HD22 LEU 16 2HD2 LEU 16 -1.445 -0.907 15.502 142 HD23 LEU 16 3HD2 LEU 16 -3.109 -1.136 16.045 143 H LEU 17 H LEU 17 -2.656 1.105 10.817 144 HA LEU 17 HA LEU 17 -4.675 -0.529 9.648 145 HB2 LEU 17 2HB LEU 17 -3.154 1.875 8.565 146 HB3 LEU 17 1HB LEU 17 -4.499 1.116 7.724 147 HG LEU 17 HG LEU 17 -4.713 2.406 10.477 148 HD11 LEU 17 1HD1 LEU 17 -5.857 4.292 9.372 149 HD12 LEU 17 2HD1 LEU 17 -5.514 3.580 7.793 150 HD13 LEU 17 3HD1 LEU 17 -4.190 4.123 8.824 151 HD21 LEU 17 1HD2 LEU 17 -6.881 1.402 8.607 152 HD22 LEU 17 2HD2 LEU 17 -7.150 2.244 10.137 153 HD23 LEU 17 3HD2 LEU 17 -6.382 0.659 10.129 154 H SER 18 H SER 18 -1.253 0.147 8.840 155 HA SER 18 HA SER 18 -1.052 -1.359 6.477 156 HB2 SER 18 2HB SER 18 1.421 -1.452 6.983 157 HB3 SER 18 1HB SER 18 0.732 0.162 7.077 158 HG SER 18 HG SER 18 1.498 0.221 9.013 159 H GLN 19 H GLN 19 -0.348 -2.257 9.834 160 HA GLN 19 HA GLN 19 0.418 -4.922 9.525 161 HB2 GLN 19 2HB GLN 19 0.723 -3.687 11.591 162 HB3 GLN 19 1HB GLN 19 -1.014 -3.504 11.798 163 HG2 GLN 19 2HG GLN 19 -1.216 -5.951 12.141 164 HG3 GLN 19 1HG GLN 19 0.535 -6.106 11.969 165 HE21 GLN 19 1HE2 GLN 19 -1.011 -3.417 13.673 166 HE22 GLN 19 2HE2 GLN 19 -0.484 -3.874 15.248 167 H SER 20 H SER 20 -2.832 -3.572 10.040 168 HA SER 20 HA SER 20 -4.261 -5.995 10.231 169 HB2 SER 20 2HB SER 20 -5.222 -3.254 9.302 170 HB3 SER 20 1HB SER 20 -6.284 -4.608 9.697 171 HG SER 20 HG SER 20 -4.491 -3.306 11.483 172 H LEU 21 H LEU 21 -3.976 -3.757 7.412 173 HA LEU 21 HA LEU 21 -5.354 -5.475 5.603 174 HB2 LEU 21 2HB LEU 21 -4.691 -3.873 3.830 175 HB3 LEU 21 1HB LEU 21 -5.437 -3.127 5.222 176 HG LEU 21 HG LEU 21 -3.034 -2.536 5.984 177 HD11 LEU 21 1HD1 LEU 21 -1.365 -2.220 4.234 178 HD12 LEU 21 2HD1 LEU 21 -2.401 -3.072 3.084 179 HD13 LEU 21 3HD1 LEU 21 -1.742 -3.921 4.484 180 HD21 LEU 21 1HD2 LEU 21 -4.633 -0.874 5.252 181 HD22 LEU 21 2HD2 LEU 21 -4.212 -1.168 3.563 182 HD23 LEU 21 3HD2 LEU 21 -3.021 -0.476 4.669 183 H LEU 22 H LEU 22 -2.024 -5.291 6.557 184 HA LEU 22 HA LEU 22 -0.800 -6.696 4.432 185 HB2 LEU 22 2HB LEU 22 0.595 -5.633 6.131 186 HB3 LEU 22 1HB LEU 22 -0.112 -6.620 7.398 187 HG LEU 22 HG LEU 22 0.897 -8.650 6.280 188 HD11 LEU 22 1HD1 LEU 22 2.723 -8.374 4.684 189 HD12 LEU 22 2HD1 LEU 22 2.420 -6.637 4.611 190 HD13 LEU 22 3HD1 LEU 22 1.203 -7.774 4.027 191 HD21 LEU 22 1HD2 LEU 22 1.909 -7.687 8.262 192 HD22 LEU 22 2HD2 LEU 22 2.834 -6.550 7.280 193 HD23 LEU 22 3HD2 LEU 22 3.158 -8.282 7.172 194 H GLU 23 H GLU 23 -2.043 -7.824 7.564 195 HA GLU 23 HA GLU 23 -1.715 -10.585 7.097 196 HB2 GLU 23 2HB GLU 23 -3.574 -9.112 9.004 197 HB3 GLU 23 1HB GLU 23 -3.300 -10.854 9.053 198 HG2 GLU 23 2HG GLU 23 -0.932 -10.511 9.555 199 HG3 GLU 23 1HG GLU 23 -1.121 -8.766 9.386 200 H LEU 24 H LEU 24 -4.388 -8.396 6.396 201 HA LEU 24 HA LEU 24 -6.345 -10.325 5.659 202 HB2 LEU 24 2HB LEU 24 -6.041 -7.422 4.780 203 HB3 LEU 24 1HB LEU 24 -7.495 -8.391 4.576 204 HG LEU 24 HG LEU 24 -6.294 -7.651 7.277 205 HD11 LEU 24 1HD1 LEU 24 -7.087 -5.615 6.204 206 HD12 LEU 24 2HD1 LEU 24 -8.158 -6.045 7.536 207 HD13 LEU 24 3HD1 LEU 24 -8.651 -6.358 5.870 208 HD21 LEU 24 1HD2 LEU 24 -8.423 -8.462 8.219 209 HD22 LEU 24 2HD2 LEU 24 -7.551 -9.733 7.367 210 HD23 LEU 24 3HD2 LEU 24 -8.941 -8.960 6.605 211 H ALA 25 H ALA 25 -3.988 -8.462 3.741 212 HA ALA 25 HA ALA 25 -4.618 -9.521 1.179 213 HB1 ALA 25 1HB ALA 25 -2.480 -8.516 0.461 214 HB2 ALA 25 2HB ALA 25 -2.033 -8.256 2.151 215 HB3 ALA 25 3HB ALA 25 -3.413 -7.403 1.467 216 H GLN 26 H GLN 26 -2.445 -10.509 3.717 217 HA GLN 26 HA GLN 26 -0.944 -12.463 2.225 218 HB2 GLN 26 2HB GLN 26 -0.024 -11.154 4.118 219 HB3 GLN 26 1HB GLN 26 -1.161 -11.922 5.215 220 HG2 GLN 26 2HG GLN 26 -0.067 -14.056 4.966 221 HG3 GLN 26 1HG GLN 26 0.971 -13.443 3.678 222 HE21 GLN 26 1HE2 GLN 26 0.320 -13.376 7.115 223 HE22 GLN 26 2HE2 GLN 26 1.826 -12.684 7.603 224 H ARG 27 H ARG 27 -3.822 -12.439 4.224 225 HA ARG 27 HA ARG 27 -4.250 -15.294 4.210 226 HB2 ARG 27 2HB ARG 27 -6.014 -12.903 4.835 227 HB3 ARG 27 1HB ARG 27 -6.646 -14.545 4.842 228 HG2 ARG 27 2HG ARG 27 -4.371 -13.588 6.605 229 HG3 ARG 27 1HG ARG 27 -6.067 -13.649 7.094 230 HD2 ARG 27 2HD ARG 27 -4.387 -16.030 6.242 231 HD3 ARG 27 1HD ARG 27 -4.809 -15.610 7.905 232 HE ARG 27 HE ARG 27 -6.901 -16.204 5.898 233 HH11 ARG 27 1HH1 ARG 27 -5.442 -16.929 9.018 234 HH12 ARG 27 2HH1 ARG 27 -6.712 -18.009 9.488 235 HH21 ARG 27 1HH2 ARG 27 -8.564 -17.608 6.531 236 HH22 ARG 27 2HH2 ARG 27 -8.500 -18.403 8.072 237 H GLY 28 H GLY 28 -4.838 -12.644 2.040 238 HA2 GLY 28 2HA GLY 28 -5.163 -12.955 -0.305 239 HA3 GLY 28 1HA GLY 28 -6.055 -14.431 0.035 240 H GLU 29 H GLU 29 -7.160 -12.272 2.269 241 HA GLU 29 HA GLU 29 -9.564 -11.539 0.872 242 HB2 GLU 29 2HB GLU 29 -8.488 -10.917 3.637 243 HB3 GLU 29 1HB GLU 29 -9.890 -10.045 3.031 244 HG2 GLU 29 2HG GLU 29 -10.627 -11.887 4.403 245 HG3 GLU 29 1HG GLU 29 -11.090 -12.180 2.728 246 H TRP 30 H TRP 30 -8.673 -10.473 -0.928 247 HA TRP 30 HA TRP 30 -7.187 -8.066 -0.821 248 HB2 TRP 30 2HB TRP 30 -9.079 -8.934 -3.044 249 HB3 TRP 30 1HB TRP 30 -7.731 -7.806 -3.181 250 HD1 TRP 30 HD1 TRP 30 -8.480 -11.152 -4.197 251 HE1 TRP 30 HE1 TRP 30 -6.392 -12.631 -4.388 252 HE3 TRP 30 HE3 TRP 30 -5.170 -8.262 -1.588 253 HZ2 TRP 30 HZ2 TRP 30 -3.722 -12.587 -3.563 254 HZ3 TRP 30 HZ3 TRP 30 -2.863 -9.058 -1.337 255 HH2 TRP 30 HH2 TRP 30 -2.148 -11.180 -2.306 256 H ASP 31 H ASP 31 -10.622 -8.777 -0.771 257 HA ASP 31 HA ASP 31 -11.712 -6.245 -1.221 258 HB2 ASP 31 2HB ASP 31 -12.760 -8.417 0.637 259 HB3 ASP 31 1HB ASP 31 -13.710 -7.086 -0.011 260 H LEU 32 H LEU 32 -10.675 -7.758 1.818 261 HA LEU 32 HA LEU 32 -11.396 -5.547 3.506 262 HB2 LEU 32 2HB LEU 32 -9.623 -7.957 4.045 263 HB3 LEU 32 1HB LEU 32 -10.215 -6.844 5.267 264 HG LEU 32 HG LEU 32 -11.884 -8.790 3.624 265 HD11 LEU 32 1HD1 LEU 32 -12.357 -9.864 5.788 266 HD12 LEU 32 2HD1 LEU 32 -11.304 -8.705 6.605 267 HD13 LEU 32 3HD1 LEU 32 -10.627 -9.848 5.443 268 HD21 LEU 32 1HD2 LEU 32 -13.158 -6.724 3.919 269 HD22 LEU 32 2HD2 LEU 32 -12.845 -6.748 5.656 270 HD23 LEU 32 3HD2 LEU 32 -13.837 -8.008 4.916 271 H LEU 33 H LEU 33 -8.391 -6.682 2.000 272 HA LEU 33 HA LEU 33 -6.500 -4.880 2.958 273 HB2 LEU 33 2HB LEU 33 -5.813 -6.674 1.495 274 HB3 LEU 33 1HB LEU 33 -6.866 -6.119 0.208 275 HG LEU 33 HG LEU 33 -5.382 -4.053 0.014 276 HD11 LEU 33 1HD1 LEU 33 -3.536 -5.627 1.819 277 HD12 LEU 33 2HD1 LEU 33 -4.281 -4.062 2.144 278 HD13 LEU 33 3HD1 LEU 33 -3.074 -4.211 0.873 279 HD21 LEU 33 1HD2 LEU 33 -4.111 -6.733 -0.609 280 HD22 LEU 33 2HD2 LEU 33 -3.664 -5.185 -1.337 281 HD23 LEU 33 3HD2 LEU 33 -5.269 -5.859 -1.616 282 H LEU 34 H LEU 34 -8.689 -4.467 0.194 283 HA LEU 34 HA LEU 34 -7.778 -1.883 -0.602 284 HB2 LEU 34 2HB LEU 34 -10.297 -3.423 -1.323 285 HB3 LEU 34 1HB LEU 34 -9.725 -1.987 -2.165 286 HG LEU 34 HG LEU 34 -8.177 -4.600 -2.008 287 HD11 LEU 34 1HD1 LEU 34 -10.229 -4.991 -3.246 288 HD12 LEU 34 2HD1 LEU 34 -8.846 -5.011 -4.336 289 HD13 LEU 34 3HD1 LEU 34 -9.904 -3.600 -4.285 290 HD21 LEU 34 1HD2 LEU 34 -6.730 -2.668 -2.336 291 HD22 LEU 34 2HD2 LEU 34 -7.701 -2.143 -3.714 292 HD23 LEU 34 3HD2 LEU 34 -6.788 -3.650 -3.796 293 H GLN 35 H GLN 35 -10.342 -3.054 1.482 294 HA GLN 35 HA GLN 35 -11.833 -0.697 1.888 295 HB2 GLN 35 2HB GLN 35 -12.473 -2.964 2.731 296 HB3 GLN 35 1HB GLN 35 -11.160 -2.897 3.896 297 HG2 GLN 35 2HG GLN 35 -13.247 -2.424 5.012 298 HG3 GLN 35 1HG GLN 35 -12.261 -0.964 5.000 299 HE21 GLN 35 1HE2 GLN 35 -14.136 -2.105 2.211 300 HE22 GLN 35 2HE2 GLN 35 -15.270 -0.808 2.219 301 H GLN 36 H GLN 36 -8.890 -1.923 3.416 302 HA GLN 36 HA GLN 36 -8.609 0.360 5.221 303 HB2 GLN 36 2HB GLN 36 -6.899 -2.129 4.832 304 HB3 GLN 36 1HB GLN 36 -6.689 -0.946 6.122 305 HG2 GLN 36 2HG GLN 36 -9.156 -2.675 5.717 306 HG3 GLN 36 1HG GLN 36 -7.861 -3.001 6.872 307 HE21 GLN 36 1HE2 GLN 36 -10.817 -2.298 7.120 308 HE22 GLN 36 2HE2 GLN 36 -10.845 -1.026 8.287 309 H GLU 37 H GLU 37 -7.573 -0.472 2.075 310 HA GLU 37 HA GLU 37 -5.010 0.532 1.758 311 HB2 GLU 37 2HB GLU 37 -6.209 -0.617 -0.052 312 HB3 GLU 37 1HB GLU 37 -7.388 0.688 -0.148 313 HG2 GLU 37 2HG GLU 37 -5.433 2.216 -0.792 314 HG3 GLU 37 1HG GLU 37 -4.470 0.753 -0.970 315 H VAL 38 H VAL 38 -8.059 2.250 1.218 316 HA VAL 38 HA VAL 38 -7.020 4.776 0.625 317 HB VAL 38 HB VAL 38 -9.320 5.668 1.092 318 HG11 VAL 38 1HG1 VAL 38 -10.463 4.412 -0.697 319 HG12 VAL 38 2HG1 VAL 38 -9.248 3.135 -0.597 320 HG13 VAL 38 3HG1 VAL 38 -8.786 4.757 -1.122 321 HG21 VAL 38 1HG2 VAL 38 -9.991 2.806 1.923 322 HG22 VAL 38 2HG2 VAL 38 -11.143 4.134 1.739 323 HG23 VAL 38 3HG2 VAL 38 -9.918 4.200 3.003 324 H SER 39 H SER 39 -8.010 3.403 3.734 325 HA SER 39 HA SER 39 -7.838 5.742 5.306 326 HB2 SER 39 2HB SER 39 -7.418 2.853 6.182 327 HB3 SER 39 1HB SER 39 -7.928 4.200 7.207 328 HG SER 39 HG SER 39 -9.762 4.295 5.547 329 H TYR 40 H TYR 40 -5.551 3.198 4.529 330 HA TYR 40 HA TYR 40 -3.485 3.927 6.324 331 HB2 TYR 40 2HB TYR 40 -3.690 1.657 5.549 332 HB3 TYR 40 1HB TYR 40 -3.585 2.160 3.865 333 HD1 TYR 40 HD1 TYR 40 -1.448 2.972 6.854 334 HD2 TYR 40 HD2 TYR 40 -1.632 1.208 2.963 335 HE1 TYR 40 HE1 TYR 40 0.960 2.589 6.901 336 HE2 TYR 40 HE2 TYR 40 0.792 0.821 3.024 337 HH TYR 40 HH TYR 40 2.794 1.868 4.258 338 H LEU 41 H LEU 41 -3.620 4.164 2.762 339 HA LEU 41 HA LEU 41 -1.220 5.580 2.418 340 HB2 LEU 41 2HB LEU 41 -3.663 5.445 0.610 341 HB3 LEU 41 1HB LEU 41 -2.100 6.081 0.121 342 HG LEU 41 HG LEU 41 -2.644 3.191 0.924 343 HD11 LEU 41 1HD1 LEU 41 -2.178 4.339 -1.853 344 HD12 LEU 41 2HD1 LEU 41 -3.703 3.717 -1.222 345 HD13 LEU 41 3HD1 LEU 41 -2.342 2.624 -1.453 346 HD21 LEU 41 1HD2 LEU 41 -0.354 2.716 0.121 347 HD22 LEU 41 2HD2 LEU 41 -0.347 3.833 1.480 348 HD23 LEU 41 3HD2 LEU 41 -0.090 4.443 -0.155 349 H GLN 42 H GLN 42 -4.577 6.718 2.826 350 HA GLN 42 HA GLN 42 -4.174 9.476 2.331 351 HB2 GLN 42 2HB GLN 42 -6.410 8.383 2.449 352 HB3 GLN 42 1HB GLN 42 -6.210 8.177 4.183 353 HG2 GLN 42 2HG GLN 42 -6.143 10.646 4.440 354 HG3 GLN 42 1HG GLN 42 -6.425 10.817 2.707 355 HE21 GLN 42 1HE2 GLN 42 -8.332 8.548 2.617 356 HE22 GLN 42 2HE2 GLN 42 -9.789 9.108 3.351 357 H SER 43 H SER 43 -3.950 7.569 5.349 358 HA SER 43 HA SER 43 -3.417 9.697 7.130 359 HB2 SER 43 2HB SER 43 -2.585 6.775 7.315 360 HB3 SER 43 1HB SER 43 -2.436 7.939 8.638 361 HG SER 43 HG SER 43 -4.637 6.591 7.758 362 H ILE 44 H ILE 44 -1.198 7.715 5.159 363 HA ILE 44 HA ILE 44 1.247 8.919 5.989 364 HB ILE 44 HB ILE 44 0.629 7.709 3.250 365 HG12 ILE 44 2HG1 ILE 44 1.767 6.285 5.714 366 HG13 ILE 44 1HG1 ILE 44 0.114 6.118 5.133 367 HG21 ILE 44 1HG2 ILE 44 3.298 8.128 4.661 368 HG22 ILE 44 2HG2 ILE 44 2.711 9.005 3.248 369 HG23 ILE 44 3HG2 ILE 44 3.077 7.288 3.123 370 HD11 ILE 44 1HD1 ILE 44 1.485 4.227 4.484 371 HD12 ILE 44 2HD1 ILE 44 2.601 5.293 3.636 372 HD13 ILE 44 3HD1 ILE 44 0.940 5.114 3.062 373 H GLU 45 H GLU 45 -1.070 9.710 3.431 374 HA GLU 45 HA GLU 45 0.417 11.718 2.142 375 HB2 GLU 45 2HB GLU 45 -2.559 11.141 2.224 376 HB3 GLU 45 1HB GLU 45 -1.870 12.434 1.240 377 HG2 GLU 45 2HG GLU 45 -0.558 10.829 -0.036 378 HG3 GLU 45 1HG GLU 45 -1.093 9.511 1.001 379 H THR 46 H THR 46 -1.985 11.904 4.773 380 HA THR 46 HA THR 46 -2.090 14.760 4.767 381 HB THR 46 HB THR 46 -4.072 13.526 5.457 382 HG1 THR 46 HG1 THR 46 -3.634 15.626 6.416 383 HG21 THR 46 1HG2 THR 46 -2.492 12.617 7.879 384 HG22 THR 46 2HG2 THR 46 -3.017 11.587 6.545 385 HG23 THR 46 3HG2 THR 46 -4.213 12.344 7.598 386 H VAL 47 H VAL 47 -0.234 12.378 6.743 387 HA VAL 47 HA VAL 47 0.865 14.378 8.506 388 HB VAL 47 HB VAL 47 2.616 12.749 9.138 389 HG11 VAL 47 1HG1 VAL 47 0.419 12.569 10.228 390 HG12 VAL 47 2HG1 VAL 47 1.181 10.986 10.084 391 HG13 VAL 47 3HG1 VAL 47 -0.126 11.438 8.984 392 HG21 VAL 47 1HG2 VAL 47 1.499 10.946 6.957 393 HG22 VAL 47 2HG2 VAL 47 2.715 10.486 8.152 394 HG23 VAL 47 3HG2 VAL 47 3.084 11.724 6.952 395 H MET 48 H MET 48 1.786 13.204 5.304 396 HA MET 48 HA MET 48 4.253 14.747 5.208 397 HB2 MET 48 2HB MET 48 2.758 13.121 3.112 398 HB3 MET 48 1HB MET 48 4.241 14.007 2.760 399 HG2 MET 48 2HG MET 48 3.961 11.766 4.778 400 HG3 MET 48 1HG MET 48 4.735 11.668 3.189 401 HE1 MET 48 1HE MET 48 6.143 10.906 6.067 402 HE2 MET 48 2HE MET 48 7.755 11.549 5.762 403 HE3 MET 48 3HE MET 48 6.909 10.663 4.494 404 H GLU 49 H GLU 49 0.917 15.407 4.452 405 HA GLU 49 HA GLU 49 1.427 17.715 2.781 406 HB2 GLU 49 2HB GLU 49 -1.065 16.679 4.166 407 HB3 GLU 49 1HB GLU 49 -1.065 18.224 3.316 408 HG2 GLU 49 2HG GLU 49 -0.422 17.067 1.226 409 HG3 GLU 49 1HG GLU 49 -0.426 15.526 2.081 410 H LYS 50 H LYS 50 0.938 17.099 6.197 411 HA LYS 50 HA LYS 50 1.228 19.909 6.914 412 HB2 LYS 50 2HB LYS 50 -0.180 18.176 8.197 413 HB3 LYS 50 1HB LYS 50 1.334 17.514 8.784 414 HG2 LYS 50 2HG LYS 50 0.225 19.013 10.424 415 HG3 LYS 50 1HG LYS 50 1.842 19.561 9.985 416 HD2 LYS 50 2HD LYS 50 0.199 21.436 10.153 417 HD3 LYS 50 1HD LYS 50 0.924 21.314 8.552 418 HE2 LYS 50 2HE LYS 50 -1.476 21.798 8.381 419 HE3 LYS 50 1HE LYS 50 -1.125 20.215 7.703 420 HZ1 LYS 50 1HZ LYS 50 -2.063 19.156 9.555 421 HZ2 LYS 50 2HZ LYS 50 -3.147 20.379 9.149 422 HZ3 LYS 50 3HZ LYS 50 -2.122 20.570 10.472 423 H GLN 51 H GLN 51 3.264 17.398 5.990 424 HA GLN 51 HA GLN 51 5.441 17.336 5.435 425 HB2 GLN 51 2HB GLN 51 5.423 20.269 6.271 426 HB3 GLN 51 1HB GLN 51 6.775 19.475 5.464 427 HG2 GLN 51 2HG GLN 51 5.302 19.004 3.509 428 HG3 GLN 51 1HG GLN 51 3.989 19.851 4.321 429 HE21 GLN 51 1HE2 GLN 51 4.084 22.134 4.484 430 HE22 GLN 51 2HE2 GLN 51 5.156 23.077 3.517 431 H THR 52 H THR 52 4.520 16.913 8.331 432 HA THR 52 HA THR 52 5.278 16.462 10.387 433 HB THR 52 HB THR 52 8.018 16.397 9.044 434 HG1 THR 52 HG1 THR 52 7.346 14.482 8.459 435 HG21 THR 52 1HG2 THR 52 7.291 15.503 11.863 436 HG22 THR 52 2HG2 THR 52 8.371 16.835 11.440 437 HG23 THR 52 3HG2 THR 52 8.819 15.173 11.054 438 HA PRO 53 HA PRO 53 6.020 20.796 11.808 439 HB2 PRO 53 2HB PRO 53 5.432 20.260 14.475 440 HB3 PRO 53 1HB PRO 53 4.196 20.614 13.249 441 HG2 PRO 53 2HG PRO 53 5.124 17.952 14.282 442 HG3 PRO 53 1HG PRO 53 3.466 18.527 13.985 443 HD2 PRO 53 2HD PRO 53 4.690 16.910 12.227 444 HD3 PRO 53 1HD PRO 53 3.634 18.228 11.666 445 HA PRO 54 HA PRO 54 10.248 20.098 13.359 446 HB2 PRO 54 2HB PRO 54 10.319 22.930 14.252 447 HB3 PRO 54 1HB PRO 54 11.224 22.142 12.945 448 HG2 PRO 54 2HG PRO 54 9.276 23.928 12.433 449 HG3 PRO 54 1HG PRO 54 9.594 22.545 11.362 450 HD2 PRO 54 2HD PRO 54 7.443 22.840 13.464 451 HD3 PRO 54 1HD PRO 54 7.316 22.223 11.799 452 H GLY 55 H GLY 55 7.644 21.125 15.375 453 HA2 GLY 55 2HA GLY 55 9.114 21.156 17.889 454 HA3 GLY 55 1HA GLY 55 7.386 21.383 17.668 455 H ILE 56 H ILE 56 9.775 18.802 17.095 456 HA ILE 56 HA ILE 56 7.989 16.800 18.377 457 HB ILE 56 HB ILE 56 9.970 16.373 16.071 458 HG12 ILE 56 2HG1 ILE 56 7.980 17.471 15.230 459 HG13 ILE 56 1HG1 ILE 56 7.916 15.790 14.726 460 HG21 ILE 56 1HG2 ILE 56 8.179 14.326 17.420 461 HG22 ILE 56 2HG2 ILE 56 9.935 14.402 17.521 462 HG23 ILE 56 3HG2 ILE 56 9.160 14.035 15.980 463 HD11 ILE 56 1HD1 ILE 56 6.335 17.074 16.955 464 HD12 ILE 56 2HD1 ILE 56 6.309 15.354 16.564 465 HD13 ILE 56 3HD1 ILE 56 5.731 16.532 15.388 466 H THR 57 H THR 57 8.836 16.443 20.354 467 HA THR 57 HA THR 57 11.646 16.662 20.992 468 HB THR 57 HB THR 57 9.975 17.261 22.706 469 HG1 THR 57 HG1 THR 57 10.872 16.017 24.437 470 HG21 THR 57 1HG2 THR 57 8.185 15.657 22.160 471 HG22 THR 57 2HG2 THR 57 8.622 15.556 23.866 472 HG23 THR 57 3HG2 THR 57 9.190 14.325 22.736 473 H ARG 58 H ARG 58 12.564 14.683 22.394 474 HA ARG 58 HA ARG 58 13.176 12.740 20.403 475 HB2 ARG 58 2HB ARG 58 14.879 11.966 21.836 476 HB3 ARG 58 1HB ARG 58 14.758 13.679 22.188 477 HG2 ARG 58 2HG ARG 58 13.607 11.448 23.904 478 HG3 ARG 58 1HG ARG 58 15.121 12.295 24.212 479 HD2 ARG 58 2HD ARG 58 12.352 13.549 24.224 480 HD3 ARG 58 1HD ARG 58 13.290 13.116 25.657 481 HE ARG 58 HE ARG 58 13.608 15.443 23.979 482 HH11 ARG 58 1HH1 ARG 58 15.284 13.376 26.301 483 HH12 ARG 58 2HH1 ARG 58 16.427 14.604 26.728 484 HH21 ARG 58 1HH2 ARG 58 15.143 17.020 24.562 485 HH22 ARG 58 2HH2 ARG 58 16.351 16.661 25.752 486 H SER 59 H SER 59 10.987 12.725 23.114 487 HA SER 59 HA SER 59 10.588 9.902 23.325 488 HB2 SER 59 2HB SER 59 10.036 11.474 25.172 489 HB3 SER 59 1HB SER 59 8.762 12.194 24.191 490 HG SER 59 HG SER 59 8.792 9.817 25.589 491 H ILE 60 H ILE 60 8.822 12.550 21.736 492 HA ILE 60 HA ILE 60 6.768 11.002 20.532 493 HB ILE 60 HB ILE 60 7.912 13.715 19.740 494 HG12 ILE 60 2HG1 ILE 60 5.382 13.023 21.313 495 HG13 ILE 60 1HG1 ILE 60 6.891 13.583 22.025 496 HG21 ILE 60 1HG2 ILE 60 5.828 14.088 18.444 497 HG22 ILE 60 2HG2 ILE 60 5.337 12.419 18.753 498 HG23 ILE 60 3HG2 ILE 60 6.777 12.755 17.792 499 HD11 ILE 60 1HD1 ILE 60 5.115 15.145 20.160 500 HD12 ILE 60 2HD1 ILE 60 6.648 15.712 20.828 501 HD13 ILE 60 3HD1 ILE 60 5.289 15.374 21.898 502 H GLN 61 H GLN 61 9.897 12.153 19.362 503 HA GLN 61 HA GLN 61 10.053 11.193 16.777 504 HB2 GLN 61 2HB GLN 61 11.834 12.556 17.738 505 HB3 GLN 61 1HB GLN 61 12.156 11.345 18.974 506 HG2 GLN 61 2HG GLN 61 12.827 9.789 17.016 507 HG3 GLN 61 1HG GLN 61 12.864 11.253 16.034 508 HE21 GLN 61 1HE2 GLN 61 14.508 12.787 16.432 509 HE22 GLN 61 2HE2 GLN 61 15.900 12.435 17.393 510 H ASP 62 H ASP 62 10.869 9.500 19.801 511 HA ASP 62 HA ASP 62 11.738 7.079 18.640 512 HB2 ASP 62 2HB ASP 62 12.380 7.791 20.914 513 HB3 ASP 62 1HB ASP 62 10.718 7.587 21.460 514 H MET 63 H MET 63 8.570 8.041 19.985 515 HA MET 63 HA MET 63 7.250 5.550 19.788 516 HB2 MET 63 2HB MET 63 6.023 8.323 19.504 517 HB3 MET 63 1HB MET 63 5.113 6.843 19.771 518 HG2 MET 63 2HG MET 63 6.272 6.624 21.994 519 HG3 MET 63 1HG MET 63 6.987 8.212 21.712 520 HE1 MET 63 1HE MET 63 4.188 9.282 20.002 521 HE2 MET 63 2HE MET 63 5.223 10.346 20.956 522 HE3 MET 63 3HE MET 63 3.493 10.266 21.288 523 H VAL 64 H VAL 64 7.105 8.360 17.576 524 HA VAL 64 HA VAL 64 5.501 7.065 15.651 525 HB VAL 64 HB VAL 64 5.843 8.966 14.171 526 HG11 VAL 64 1HG1 VAL 64 4.212 9.170 16.002 527 HG12 VAL 64 2HG1 VAL 64 4.919 10.731 15.594 528 HG13 VAL 64 3HG1 VAL 64 5.451 9.878 17.049 529 HG21 VAL 64 1HG2 VAL 64 8.259 9.329 14.521 530 HG22 VAL 64 2HG2 VAL 64 7.950 9.952 16.143 531 HG23 VAL 64 3HG2 VAL 64 7.360 10.829 14.727 532 H ALA 65 H ALA 65 9.029 7.461 15.868 533 HA ALA 65 HA ALA 65 9.645 6.443 13.286 534 HB1 ALA 65 1HB ALA 65 11.933 6.119 14.140 535 HB2 ALA 65 2HB ALA 65 11.360 6.402 15.787 536 HB3 ALA 65 3HB ALA 65 11.290 7.700 14.598 537 H GLY 66 H GLY 66 9.056 4.895 16.415 538 HA2 GLY 66 2HA GLY 66 9.558 2.206 15.704 539 HA3 GLY 66 1HA GLY 66 8.425 2.747 16.934 540 H TYR 67 H TYR 67 6.599 4.176 15.476 541 HA TYR 67 HA TYR 67 4.933 2.197 14.314 542 HB2 TYR 67 2HB TYR 67 4.757 5.232 14.206 543 HB3 TYR 67 1HB TYR 67 3.499 4.166 13.594 544 HD1 TYR 67 HD1 TYR 67 4.104 6.252 16.239 545 HD2 TYR 67 HD2 TYR 67 2.966 2.189 15.561 546 HE1 TYR 67 HE1 TYR 67 3.044 6.191 18.446 547 HE2 TYR 67 HE2 TYR 67 1.890 2.133 17.772 548 HH TYR 67 HH TYR 67 1.972 3.278 19.898 549 H ILE 68 H ILE 68 7.205 4.500 12.885 550 HA ILE 68 HA ILE 68 6.404 4.188 10.160 551 HB ILE 68 HB ILE 68 9.140 5.103 11.210 552 HG12 ILE 68 2HG1 ILE 68 6.811 6.845 10.273 553 HG13 ILE 68 1HG1 ILE 68 7.233 6.585 11.950 554 HG21 ILE 68 1HG2 ILE 68 9.443 6.119 8.964 555 HG22 ILE 68 2HG2 ILE 68 7.903 5.430 8.440 556 HG23 ILE 68 3HG2 ILE 68 9.250 4.372 8.864 557 HD11 ILE 68 1HD1 ILE 68 8.970 7.944 9.891 558 HD12 ILE 68 2HD1 ILE 68 9.379 7.705 11.593 559 HD13 ILE 68 3HD1 ILE 68 8.018 8.733 11.147 560 H LYS 69 H LYS 69 8.887 2.716 12.232 561 HA LYS 69 HA LYS 69 10.146 1.086 10.312 562 HB2 LYS 69 2HB LYS 69 11.117 1.574 12.542 563 HB3 LYS 69 1HB LYS 69 9.857 0.612 13.309 564 HG2 LYS 69 2HG LYS 69 10.727 -1.406 12.095 565 HG3 LYS 69 1HG LYS 69 12.030 -0.411 11.440 566 HD2 LYS 69 2HD LYS 69 12.847 -1.665 13.366 567 HD3 LYS 69 1HD LYS 69 12.822 0.056 13.748 568 HE2 LYS 69 2HE LYS 69 10.708 -0.260 14.996 569 HE3 LYS 69 1HE LYS 69 10.746 -1.986 14.622 570 HZ1 LYS 69 1HZ LYS 69 12.810 -2.179 15.841 571 HZ2 LYS 69 2HZ LYS 69 11.626 -1.496 16.837 572 HZ3 LYS 69 3HZ LYS 69 12.827 -0.519 16.157 573 H GLN 70 H GLN 70 7.369 0.503 12.440 574 HA GLN 70 HA GLN 70 6.876 -2.216 11.810 575 HB2 GLN 70 2HB GLN 70 4.935 -0.021 12.649 576 HB3 GLN 70 1HB GLN 70 4.524 -1.733 12.567 577 HG2 GLN 70 2HG GLN 70 6.239 -2.191 14.315 578 HG3 GLN 70 1HG GLN 70 6.544 -0.457 14.427 579 HE21 GLN 70 1HE2 GLN 70 3.362 -1.942 13.974 580 HE22 GLN 70 2HE2 GLN 70 2.726 -1.463 15.497 581 H THR 71 H THR 71 5.592 0.808 10.459 582 HA THR 71 HA THR 71 3.804 -0.457 8.644 583 HB THR 71 HB THR 71 3.680 1.966 9.618 584 HG1 THR 71 HG1 THR 71 3.070 1.374 6.908 585 HG21 THR 71 1HG2 THR 71 5.821 2.831 8.717 586 HG22 THR 71 2HG2 THR 71 4.445 3.757 8.128 587 HG23 THR 71 3HG2 THR 71 5.233 2.580 7.075 588 H LEU 72 H LEU 72 7.133 0.589 8.412 589 HA LEU 72 HA LEU 72 7.495 0.345 5.598 590 HB2 LEU 72 2HB LEU 72 9.450 0.208 7.918 591 HB3 LEU 72 1HB LEU 72 9.971 0.056 6.246 592 HG LEU 72 HG LEU 72 8.574 2.499 7.387 593 HD11 LEU 72 1HD1 LEU 72 10.773 2.218 8.432 594 HD12 LEU 72 2HD1 LEU 72 10.763 3.606 7.349 595 HD13 LEU 72 3HD1 LEU 72 11.538 2.103 6.842 596 HD21 LEU 72 1HD2 LEU 72 9.281 3.583 5.279 597 HD22 LEU 72 2HD2 LEU 72 8.168 2.247 5.008 598 HD23 LEU 72 3HD2 LEU 72 9.893 2.032 4.696 599 H ASP 73 H ASP 73 7.835 -1.863 8.317 600 HA ASP 73 HA ASP 73 8.928 -4.086 6.955 601 HB2 ASP 73 2HB ASP 73 8.913 -3.897 9.413 602 HB3 ASP 73 1HB ASP 73 7.155 -3.981 9.436 603 H ASN 74 H ASN 74 5.595 -3.241 7.796 604 HA ASN 74 HA ASN 74 4.285 -5.460 6.662 605 HB2 ASN 74 2HB ASN 74 3.163 -2.659 7.122 606 HB3 ASN 74 1HB ASN 74 2.218 -4.125 6.895 607 HD21 ASN 74 1HD2 ASN 74 3.946 -5.784 8.617 608 HD22 ASN 74 2HD2 ASN 74 3.619 -5.275 10.229 609 H GLU 75 H GLU 75 4.997 -2.232 5.401 610 HA GLU 75 HA GLU 75 3.634 -2.607 2.896 611 HB2 GLU 75 2HB GLU 75 3.745 -0.447 4.079 612 HB3 GLU 75 1HB GLU 75 5.485 -0.400 3.845 613 HG2 GLU 75 2HG GLU 75 5.255 -0.066 1.498 614 HG3 GLU 75 1HG GLU 75 3.529 -0.447 1.538 615 H GLN 76 H GLN 76 6.877 -3.154 4.045 616 HA GLN 76 HA GLN 76 8.203 -3.415 1.519 617 HB2 GLN 76 2HB GLN 76 9.444 -3.206 3.668 618 HB3 GLN 76 1HB GLN 76 8.825 -4.770 4.183 619 HG2 GLN 76 2HG GLN 76 10.038 -5.857 2.322 620 HG3 GLN 76 1HG GLN 76 10.672 -4.290 1.822 621 HE21 GLN 76 1HE2 GLN 76 10.367 -5.302 5.206 622 HE22 GLN 76 2HE2 GLN 76 12.058 -5.428 5.520 623 H LEU 77 H LEU 77 6.479 -5.636 3.660 624 HA LEU 77 HA LEU 77 6.699 -7.960 2.020 625 HB2 LEU 77 2HB LEU 77 4.675 -7.277 4.186 626 HB3 LEU 77 1HB LEU 77 4.863 -8.866 3.455 627 HG LEU 77 HG LEU 77 6.936 -7.428 5.154 628 HD11 LEU 77 1HD1 LEU 77 5.276 -9.883 5.813 629 HD12 LEU 77 2HD1 LEU 77 5.045 -8.264 6.476 630 HD13 LEU 77 3HD1 LEU 77 6.521 -9.152 6.836 631 HD21 LEU 77 1HD2 LEU 77 8.257 -9.512 5.007 632 HD22 LEU 77 2HD2 LEU 77 8.050 -8.748 3.436 633 HD23 LEU 77 3HD2 LEU 77 7.088 -10.167 3.854 634 H LEU 78 H LEU 78 4.273 -5.361 2.269 635 HA LEU 78 HA LEU 78 2.382 -6.370 0.413 636 HB2 LEU 78 2HB LEU 78 3.099 -3.494 1.084 637 HB3 LEU 78 1HB LEU 78 1.724 -3.951 0.089 638 HG LEU 78 HG LEU 78 2.064 -4.711 3.012 639 HD11 LEU 78 1HD1 LEU 78 0.302 -2.544 1.819 640 HD12 LEU 78 2HD1 LEU 78 1.800 -2.273 2.711 641 HD13 LEU 78 3HD1 LEU 78 0.418 -2.996 3.525 642 HD21 LEU 78 1HD2 LEU 78 -0.307 -5.393 2.892 643 HD22 LEU 78 2HD2 LEU 78 0.692 -6.334 1.790 644 HD23 LEU 78 3HD2 LEU 78 -0.328 -5.038 1.160 645 H LYS 79 H LYS 79 5.311 -4.442 0.040 646 HA LYS 79 HA LYS 79 5.160 -3.789 -2.673 647 HB2 LYS 79 2HB LYS 79 6.807 -2.753 -1.194 648 HB3 LYS 79 1HB LYS 79 7.598 -4.299 -0.917 649 HG2 LYS 79 2HG LYS 79 8.269 -4.358 -3.312 650 HG3 LYS 79 1HG LYS 79 7.528 -2.768 -3.539 651 HD2 LYS 79 2HD LYS 79 9.105 -1.738 -2.033 652 HD3 LYS 79 1HD LYS 79 9.725 -3.306 -1.511 653 HE2 LYS 79 2HE LYS 79 11.298 -2.245 -3.029 654 HE3 LYS 79 1HE LYS 79 10.629 -3.691 -3.784 655 HZ1 LYS 79 1HZ LYS 79 9.137 -2.295 -5.052 656 HZ2 LYS 79 2HZ LYS 79 10.739 -1.825 -5.314 657 HZ3 LYS 79 3HZ LYS 79 9.742 -0.906 -4.305 658 H GLY 80 H GLY 80 6.859 -6.526 -1.134 659 HA2 GLY 80 2HA GLY 80 7.636 -7.845 -3.510 660 HA3 GLY 80 1HA GLY 80 7.556 -8.564 -1.911 661 H LEU 81 H LEU 81 5.067 -8.668 -1.212 662 HA LEU 81 HA LEU 81 4.006 -10.917 -2.475 663 HB2 LEU 81 2HB LEU 81 3.680 -10.165 -0.096 664 HB3 LEU 81 1HB LEU 81 2.538 -8.964 -0.653 665 HG LEU 81 HG LEU 81 2.073 -11.955 -1.023 666 HD11 LEU 81 1HD1 LEU 81 0.689 -11.913 1.016 667 HD12 LEU 81 2HD1 LEU 81 1.152 -10.233 1.308 668 HD13 LEU 81 3HD1 LEU 81 2.368 -11.510 1.372 669 HD21 LEU 81 1HD2 LEU 81 0.646 -10.535 -2.437 670 HD22 LEU 81 2HD2 LEU 81 0.101 -9.634 -1.020 671 HD23 LEU 81 3HD2 LEU 81 -0.305 -11.345 -1.197 672 H LEU 82 H LEU 82 2.657 -7.567 -2.534 673 HA LEU 82 HA LEU 82 0.542 -8.243 -4.299 674 HB2 LEU 82 2HB LEU 82 1.651 -5.480 -3.712 675 HB3 LEU 82 1HB LEU 82 0.121 -5.814 -4.508 676 HG LEU 82 HG LEU 82 0.820 -6.406 -1.601 677 HD11 LEU 82 1HD1 LEU 82 0.401 -4.032 -2.005 678 HD12 LEU 82 2HD1 LEU 82 -0.899 -4.730 -1.043 679 HD13 LEU 82 3HD1 LEU 82 -1.149 -4.406 -2.763 680 HD21 LEU 82 1HD2 LEU 82 -1.774 -6.984 -3.053 681 HD22 LEU 82 2HD2 LEU 82 -1.494 -7.181 -1.321 682 HD23 LEU 82 3HD2 LEU 82 -0.615 -8.180 -2.475 683 H GLN 83 H GLN 83 3.825 -6.897 -4.909 684 HA GLN 83 HA GLN 83 3.445 -6.356 -7.685 685 HB2 GLN 83 2HB GLN 83 5.370 -5.496 -6.379 686 HB3 GLN 83 1HB GLN 83 6.032 -7.123 -6.270 687 HG2 GLN 83 2HG GLN 83 6.301 -7.172 -8.730 688 HG3 GLN 83 1HG GLN 83 5.635 -5.541 -8.834 689 HE21 GLN 83 1HE2 GLN 83 7.873 -6.613 -6.309 690 HE22 GLN 83 2HE2 GLN 83 9.203 -5.640 -6.818 691 H GLN 84 H GLN 84 4.479 -9.280 -5.970 692 HA GLN 84 HA GLN 84 4.985 -10.957 -8.187 693 HB2 GLN 84 2HB GLN 84 4.033 -11.579 -5.365 694 HB3 GLN 84 1HB GLN 84 4.389 -12.842 -6.540 695 HG2 GLN 84 2HG GLN 84 6.720 -12.201 -6.623 696 HG3 GLN 84 1HG GLN 84 6.409 -10.776 -5.634 697 HE21 GLN 84 1HE2 GLN 84 4.935 -13.895 -4.864 698 HE22 GLN 84 2HE2 GLN 84 5.878 -14.197 -3.456 699 H ARG 85 H ARG 85 2.044 -10.385 -6.300 700 HA ARG 85 HA ARG 85 0.267 -12.089 -7.607 701 HB2 ARG 85 2HB ARG 85 -0.248 -9.414 -6.264 702 HB3 ARG 85 1HB ARG 85 -1.523 -10.530 -6.743 703 HG2 ARG 85 2HG ARG 85 0.660 -11.355 -4.812 704 HG3 ARG 85 1HG ARG 85 -0.780 -10.489 -4.280 705 HD2 ARG 85 2HD ARG 85 -1.091 -12.867 -3.937 706 HD3 ARG 85 1HD ARG 85 -2.203 -12.286 -5.171 707 HE ARG 85 HE ARG 85 0.242 -13.455 -6.212 708 HH11 ARG 85 1HH1 ARG 85 -3.058 -14.138 -5.176 709 HH12 ARG 85 2HH1 ARG 85 -3.187 -15.603 -6.086 710 HH21 ARG 85 1HH2 ARG 85 0.069 -15.424 -7.397 711 HH22 ARG 85 2HH2 ARG 85 -1.407 -16.327 -7.344 712 H LEU 86 H LEU 86 1.084 -8.688 -8.315 713 HA LEU 86 HA LEU 86 -0.779 -8.288 -10.433 714 HB2 LEU 86 2HB LEU 86 1.793 -6.817 -9.759 715 HB3 LEU 86 1HB LEU 86 0.629 -6.268 -10.960 716 HG LEU 86 HG LEU 86 0.126 -6.519 -7.972 717 HD11 LEU 86 1HD1 LEU 86 0.412 -4.043 -9.697 718 HD12 LEU 86 2HD1 LEU 86 1.573 -4.630 -8.505 719 HD13 LEU 86 3HD1 LEU 86 -0.011 -4.069 -7.982 720 HD21 LEU 86 1HD2 LEU 86 -1.736 -5.603 -10.174 721 HD22 LEU 86 2HD2 LEU 86 -2.057 -5.458 -8.445 722 HD23 LEU 86 3HD2 LEU 86 -1.902 -7.052 -9.178 723 H ASP 87 H ASP 87 2.503 -9.514 -10.310 724 HA ASP 87 HA ASP 87 3.087 -9.401 -13.103 725 HB2 ASP 87 2HB ASP 87 4.825 -9.628 -11.326 726 HB3 ASP 87 1HB ASP 87 4.250 -11.256 -10.979 727 H GLU 88 H GLU 88 1.914 -11.935 -10.966 728 HA GLU 88 HA GLU 88 1.586 -13.983 -12.883 729 HB2 GLU 88 2HB GLU 88 0.218 -13.549 -10.194 730 HB3 GLU 88 1HB GLU 88 0.186 -15.057 -11.109 731 HG2 GLU 88 2HG GLU 88 2.553 -15.390 -10.800 732 HG3 GLU 88 1HG GLU 88 2.760 -13.777 -10.129 733 H LEU 89 H LEU 89 -0.669 -11.555 -11.562 734 HA LEU 89 HA LEU 89 -3.004 -12.387 -12.929 735 HB2 LEU 89 2HB LEU 89 -2.251 -9.695 -11.735 736 HB3 LEU 89 1HB LEU 89 -3.824 -10.005 -12.455 737 HG LEU 89 HG LEU 89 -2.696 -11.428 -10.006 738 HD11 LEU 89 1HD1 LEU 89 -3.269 -9.095 -9.514 739 HD12 LEU 89 2HD1 LEU 89 -4.391 -10.191 -8.716 740 HD13 LEU 89 3HD1 LEU 89 -4.890 -9.329 -10.174 741 HD21 LEU 89 1HD2 LEU 89 -4.152 -12.923 -11.283 742 HD22 LEU 89 2HD2 LEU 89 -5.428 -11.703 -11.309 743 HD23 LEU 89 3HD2 LEU 89 -4.940 -12.443 -9.781 744 H SER 90 H SER 90 -0.443 -10.086 -13.779 745 HA SER 90 HA SER 90 -1.622 -8.991 -16.116 746 HB2 SER 90 2HB SER 90 0.351 -8.006 -14.909 747 HB3 SER 90 1HB SER 90 1.353 -9.317 -15.528 748 HG SER 90 HG SER 90 0.571 -7.018 -16.734 749 H SER 91 H SER 91 0.476 -11.783 -15.576 750 HA SER 91 HA SER 91 0.779 -12.620 -18.275 751 HB2 SER 91 2HB SER 91 2.250 -13.351 -16.389 752 HB3 SER 91 1HB SER 91 0.917 -14.299 -15.728 753 HG SER 91 HG SER 91 2.618 -14.868 -17.787 754 H LEU 92 H LEU 92 -1.616 -13.326 -15.768 755 HA LEU 92 HA LEU 92 -3.079 -15.328 -17.158 756 HB2 LEU 92 2HB LEU 92 -3.909 -13.465 -14.897 757 HB3 LEU 92 1HB LEU 92 -4.929 -14.759 -15.510 758 HG LEU 92 HG LEU 92 -2.200 -15.179 -14.223 759 HD11 LEU 92 1HD1 LEU 92 -3.378 -16.038 -12.257 760 HD12 LEU 92 2HD1 LEU 92 -4.936 -15.658 -12.995 761 HD13 LEU 92 3HD1 LEU 92 -3.822 -14.360 -12.566 762 HD21 LEU 92 1HD2 LEU 92 -2.787 -17.565 -14.210 763 HD22 LEU 92 2HD2 LEU 92 -2.736 -16.923 -15.847 764 HD23 LEU 92 3HD2 LEU 92 -4.292 -17.209 -15.064 765 H ILE 93 H ILE 93 -3.419 -11.785 -16.968 766 HA ILE 93 HA ILE 93 -5.830 -11.529 -18.448 767 HB ILE 93 HB ILE 93 -3.606 -9.478 -18.005 768 HG12 ILE 93 2HG1 ILE 93 -6.297 -9.787 -16.577 769 HG13 ILE 93 1HG1 ILE 93 -4.745 -10.282 -15.920 770 HG21 ILE 93 1HG2 ILE 93 -4.937 -8.833 -19.980 771 HG22 ILE 93 2HG2 ILE 93 -5.251 -7.731 -18.643 772 HG23 ILE 93 3HG2 ILE 93 -6.431 -8.981 -19.051 773 HD11 ILE 93 1HD1 ILE 93 -4.013 -7.938 -15.910 774 HD12 ILE 93 2HD1 ILE 93 -5.469 -8.203 -14.952 775 HD13 ILE 93 3HD1 ILE 93 -5.592 -7.457 -16.543 776 H GLY 94 H GLY 94 -2.416 -11.582 -19.361 777 HA2 GLY 94 2HA GLY 94 -2.676 -10.944 -22.104 778 HA3 GLY 94 1HA GLY 94 -1.344 -11.826 -21.375 779 H GLN 95 H GLN 95 -3.451 -13.857 -20.405 780 HA GLN 95 HA GLN 95 -3.468 -15.539 -22.825 781 HB2 GLN 95 2HB GLN 95 -3.844 -16.225 -19.884 782 HB3 GLN 95 1HB GLN 95 -3.917 -17.411 -21.184 783 HG2 GLN 95 2HG GLN 95 -1.492 -15.741 -20.445 784 HG3 GLN 95 1HG GLN 95 -1.754 -17.427 -20.004 785 HE21 GLN 95 1HE2 GLN 95 -1.619 -19.037 -21.657 786 HE22 GLN 95 2HE2 GLN 95 -0.830 -18.723 -23.161 787 H VAL 96 H VAL 96 -5.669 -14.220 -20.348 788 HA VAL 96 HA VAL 96 -7.941 -15.757 -21.323 789 HB VAL 96 HB VAL 96 -9.245 -14.724 -19.480 790 HG11 VAL 96 1HG1 VAL 96 -6.556 -15.825 -18.569 791 HG12 VAL 96 2HG1 VAL 96 -7.969 -16.774 -19.029 792 HG13 VAL 96 3HG1 VAL 96 -8.026 -15.759 -17.588 793 HG21 VAL 96 1HG2 VAL 96 -8.160 -13.237 -17.828 794 HG22 VAL 96 2HG2 VAL 96 -8.205 -12.496 -19.426 795 HG23 VAL 96 3HG2 VAL 96 -6.701 -13.187 -18.819 796 H LEU 97 H LEU 97 -6.784 -12.443 -21.508 797 HA LEU 97 HA LEU 97 -9.161 -11.607 -23.043 798 HB2 LEU 97 2HB LEU 97 -7.987 -10.242 -21.078 799 HB3 LEU 97 1HB LEU 97 -6.871 -9.746 -22.330 800 HG LEU 97 HG LEU 97 -9.865 -9.177 -22.194 801 HD11 LEU 97 1HD1 LEU 97 -7.503 -7.282 -22.028 802 HD12 LEU 97 2HD1 LEU 97 -8.554 -7.775 -20.699 803 HD13 LEU 97 3HD1 LEU 97 -9.207 -6.813 -22.022 804 HD21 LEU 97 1HD2 LEU 97 -7.981 -8.381 -24.436 805 HD22 LEU 97 2HD2 LEU 97 -9.652 -7.840 -24.248 806 HD23 LEU 97 3HD2 LEU 97 -9.309 -9.540 -24.545 807 H PHE 98 H PHE 98 -8.989 -12.134 -25.128 808 HA PHE 98 HA PHE 98 -6.422 -11.992 -26.560 809 HB2 PHE 98 2HB PHE 98 -9.144 -13.029 -27.483 810 HB3 PHE 98 1HB PHE 98 -7.656 -13.089 -28.430 811 HD1 PHE 98 HD1 PHE 98 -5.635 -14.346 -27.330 812 HD2 PHE 98 HD2 PHE 98 -9.688 -14.881 -26.097 813 HE1 PHE 98 HE1 PHE 98 -5.042 -16.510 -26.332 814 HE2 PHE 98 HE2 PHE 98 -9.091 -17.049 -25.107 815 HZ PHE 98 HZ PHE 98 -6.772 -17.871 -25.219 816 H GLN 99 H GLN 99 -6.170 -9.768 -26.585 817 HA GLN 99 HA GLN 99 -8.319 -7.986 -27.403 818 HB2 GLN 99 2HB GLN 99 -6.522 -6.186 -26.941 819 HB3 GLN 99 1HB GLN 99 -7.104 -7.134 -25.587 820 HG2 GLN 99 2HG GLN 99 -4.771 -6.933 -25.273 821 HG3 GLN 99 1HG GLN 99 -5.041 -8.582 -25.821 822 HE21 GLN 99 1HE2 GLN 99 -4.915 -5.686 -27.858 823 HE22 GLN 99 2HE2 GLN 99 -3.498 -6.136 -28.723 824 H GLY 100 H GLY 100 -6.094 -9.755 -29.094 825 HA2 GLY 100 2HA GLY 100 -6.597 -8.492 -31.603 826 HA3 GLY 100 1HA GLY 100 -4.971 -8.129 -31.035 827 HA PRO 101 HA PRO 101 -3.528 -12.212 -32.331 828 HB2 PRO 101 2HB PRO 101 -2.252 -13.288 -30.107 829 HB3 PRO 101 1HB PRO 101 -1.548 -12.012 -31.126 830 HG2 PRO 101 2HG PRO 101 -3.016 -11.750 -28.517 831 HG3 PRO 101 1HG PRO 101 -1.511 -10.961 -29.048 832 HD2 PRO 101 2HD PRO 101 -3.869 -9.659 -29.111 833 HD3 PRO 101 1HD PRO 101 -2.644 -9.399 -30.371 834 H SER 102 H SER 102 -4.192 -14.336 -32.429 835 HA SER 102 HA SER 102 -5.506 -16.151 -32.258 836 HB2 SER 102 2HB SER 102 -5.665 -15.495 -29.299 837 HB3 SER 102 1HB SER 102 -6.015 -17.062 -30.038 838 HG SER 102 HG SER 102 -3.570 -15.763 -29.630 839 H ALA 103 H ALA 103 -6.699 -13.376 -32.552 840 HA ALA 103 HA ALA 103 -9.535 -14.119 -32.165 841 HB1 ALA 103 1HB ALA 103 -8.929 -12.351 -30.557 842 HB2 ALA 103 2HB ALA 103 -10.041 -11.716 -31.772 843 HB3 ALA 103 3HB ALA 103 -8.317 -11.345 -31.870 844 H GLY 104 H GLY 104 -10.687 -14.136 -34.032 845 HA2 GLY 104 2HA GLY 104 -9.491 -13.661 -36.587 846 HA3 GLY 104 1HA GLY 104 -11.172 -14.076 -36.288 847 H LEU 105 H LEU 105 -11.300 -11.691 -34.431 848 HA LEU 105 HA LEU 105 -11.314 -9.462 -36.365 849 HB2 LEU 105 2HB LEU 105 -13.384 -8.624 -35.053 850 HB3 LEU 105 1HB LEU 105 -13.605 -9.965 -36.159 851 HG LEU 105 HG LEU 105 -13.366 -11.497 -34.071 852 HD11 LEU 105 1HD1 LEU 105 -12.547 -9.874 -32.454 853 HD12 LEU 105 2HD1 LEU 105 -14.075 -10.569 -31.922 854 HD13 LEU 105 3HD1 LEU 105 -14.040 -8.938 -32.598 855 HD21 LEU 105 1HD2 LEU 105 -15.467 -11.259 -35.292 856 HD22 LEU 105 2HD2 LEU 105 -15.866 -9.802 -34.381 857 HD23 LEU 105 3HD2 LEU 105 -15.764 -11.362 -33.560 858 H VAL 106 H VAL 106 -11.396 -7.291 -35.124 859 HA VAL 106 HA VAL 106 -9.427 -7.330 -32.928 860 HB VAL 106 HB VAL 106 -10.530 -4.983 -34.544 861 HG11 VAL 106 1HG1 VAL 106 -8.197 -5.027 -32.589 862 HG12 VAL 106 2HG1 VAL 106 -9.766 -4.265 -32.323 863 HG13 VAL 106 3HG1 VAL 106 -8.694 -3.645 -33.577 864 HG21 VAL 106 1HG2 VAL 106 -8.371 -4.982 -35.752 865 HG22 VAL 106 2HG2 VAL 106 -9.210 -6.519 -35.959 866 HG23 VAL 106 3HG2 VAL 106 -7.848 -6.405 -34.844 867 HA PRO 107 HA PRO 107 -13.209 -6.461 -30.419 868 HB2 PRO 107 2HB PRO 107 -12.705 -8.118 -28.367 869 HB3 PRO 107 1HB PRO 107 -13.137 -8.776 -29.961 870 HG2 PRO 107 2HG PRO 107 -10.491 -8.709 -28.609 871 HG3 PRO 107 1HG PRO 107 -11.140 -9.881 -29.772 872 HD2 PRO 107 2HD PRO 107 -9.400 -7.651 -30.321 873 HD3 PRO 107 1HD PRO 107 -10.094 -8.796 -31.487 874 H ARG 108 H ARG 108 -10.892 -4.701 -30.510 875 HA ARG 108 HA ARG 108 -9.888 -4.135 -27.906 876 HB2 ARG 108 2HB ARG 108 -8.679 -3.505 -29.977 877 HB3 ARG 108 1HB ARG 108 -9.949 -2.361 -30.391 878 HG2 ARG 108 2HG ARG 108 -9.397 -0.999 -28.406 879 HG3 ARG 108 1HG ARG 108 -8.166 -2.172 -27.927 880 HD2 ARG 108 2HD ARG 108 -7.080 -0.280 -28.997 881 HD3 ARG 108 1HD ARG 108 -6.932 -1.685 -30.056 882 HE ARG 108 HE ARG 108 -9.219 -0.082 -30.689 883 HH11 ARG 108 1HH1 ARG 108 -5.719 -0.211 -31.175 884 HH12 ARG 108 2HH1 ARG 108 -5.784 0.731 -32.630 885 HH21 ARG 108 1HH2 ARG 108 -9.245 1.149 -32.593 886 HH22 ARG 108 2HH2 ARG 108 -7.761 1.495 -33.427 887 H GLY 109 H GLY 109 -11.569 -3.918 -26.483 888 HA2 GLY 109 2HA GLY 109 -13.237 -1.468 -26.728 889 HA3 GLY 109 1HA GLY 109 -13.845 -2.973 -26.044 890 H SER 110 H SER 110 -12.794 -0.022 -25.162 891 HA SER 110 HA SER 110 -11.113 -0.781 -22.880 892 HB2 SER 110 2HB SER 110 -10.829 1.706 -22.631 893 HB3 SER 110 1HB SER 110 -10.382 1.110 -24.230 894 HG SER 110 HG SER 110 -12.343 1.879 -25.021 895 H GLY 111 H GLY 111 -14.019 -1.439 -22.963 896 HA2 GLY 111 2HA GLY 111 -14.630 -0.529 -20.240 897 HA3 GLY 111 1HA GLY 111 -15.846 -0.278 -21.491 898 H GLY 112 H GLY 112 -16.906 -2.083 -22.403 899 HA2 GLY 112 2HA GLY 112 -16.824 -4.513 -20.706 900 HA3 GLY 112 1HA GLY 112 -18.221 -3.935 -21.602 901 H ILE 113 H ILE 113 -16.275 -6.427 -21.577 902 HA ILE 113 HA ILE 113 -16.071 -6.826 -24.480 903 HB ILE 113 HB ILE 113 -15.408 -8.782 -22.218 904 HG12 ILE 113 2HG1 ILE 113 -13.433 -6.929 -23.654 905 HG13 ILE 113 1HG1 ILE 113 -14.043 -6.675 -22.022 906 HG21 ILE 113 1HG2 ILE 113 -15.702 -9.874 -24.409 907 HG22 ILE 113 2HG2 ILE 113 -14.020 -9.964 -23.893 908 HG23 ILE 113 3HG2 ILE 113 -14.499 -8.800 -25.130 909 HD11 ILE 113 1HD1 ILE 113 -12.336 -8.989 -22.938 910 HD12 ILE 113 2HD1 ILE 113 -12.964 -8.767 -21.304 911 HD13 ILE 113 3HD1 ILE 113 -11.815 -7.610 -21.974 912 H GLU 114 H GLU 114 -17.233 -8.611 -25.476 913 HA GLU 114 HA GLU 114 -19.892 -9.125 -24.498 914 HB2 GLU 114 2HB GLU 114 -20.070 -10.531 -26.576 915 HB3 GLU 114 1HB GLU 114 -19.531 -8.883 -26.881 916 HG2 GLU 114 2HG GLU 114 -17.170 -9.701 -27.016 917 HG3 GLU 114 1HG GLU 114 -17.761 -11.350 -26.797 918 H GLY 115 H GLY 115 -20.633 -10.910 -23.395 919 HA2 GLY 115 2HA GLY 115 -20.795 -13.196 -22.917 920 HA3 GLY 115 1HA GLY 115 -19.139 -13.436 -23.448 921 H SER 428 H SER 428 -19.553 -14.775 -21.312 922 HA SER 428 HA SER 428 -19.383 -13.432 -18.773 923 HB2 SER 428 2HB SER 428 -20.361 -15.728 -19.113 924 HB3 SER 428 1HB SER 428 -18.747 -16.344 -19.446 925 HG SER 428 HG SER 428 -19.538 -15.085 -17.016 926 H ILE 429 H ILE 429 -17.073 -14.371 -21.158 927 HA ILE 429 HA ILE 429 -14.668 -14.431 -19.761 928 HB ILE 429 HB ILE 429 -14.843 -14.985 -22.132 929 HG12 ILE 429 2HG1 ILE 429 -12.590 -13.933 -21.090 930 HG13 ILE 429 1HG1 ILE 429 -12.697 -14.414 -22.770 931 HG21 ILE 429 1HG2 ILE 429 -15.019 -13.266 -23.888 932 HG22 ILE 429 2HG2 ILE 429 -15.290 -12.041 -22.645 933 HG23 ILE 429 3HG2 ILE 429 -16.455 -13.348 -22.864 934 HD11 ILE 429 1HD1 ILE 429 -12.991 -12.098 -23.453 935 HD12 ILE 429 2HD1 ILE 429 -11.532 -12.279 -22.482 936 HD13 ILE 429 3HD1 ILE 429 -12.981 -11.571 -21.767 937 H ASP 430 H ASP 430 -16.629 -11.646 -20.742 938 HA ASP 430 HA ASP 430 -15.009 -9.503 -20.045 939 HB2 ASP 430 2HB ASP 430 -17.129 -9.071 -21.079 940 HB3 ASP 430 1HB ASP 430 -18.014 -9.869 -19.785 941 H GLU 431 H GLU 431 -17.203 -11.364 -17.975 942 HA GLU 431 HA GLU 431 -16.947 -9.810 -15.641 943 HB2 GLU 431 2HB GLU 431 -17.728 -12.739 -15.892 944 HB3 GLU 431 1HB GLU 431 -18.059 -11.698 -14.507 945 HG2 GLU 431 2HG GLU 431 -19.528 -10.296 -15.891 946 HG3 GLU 431 1HG GLU 431 -19.166 -11.286 -17.304 947 H THR 432 H THR 432 -15.416 -12.931 -16.544 948 HA THR 432 HA THR 432 -13.913 -13.162 -14.127 949 HB THR 432 HB THR 432 -14.469 -15.160 -15.467 950 HG1 THR 432 HG1 THR 432 -12.677 -15.290 -14.056 951 HG21 THR 432 1HG2 THR 432 -12.387 -14.164 -17.436 952 HG22 THR 432 2HG2 THR 432 -14.122 -14.265 -17.744 953 HG23 THR 432 3HG2 THR 432 -13.185 -15.738 -17.480 954 H VAL 433 H VAL 433 -13.062 -11.866 -17.358 955 HA VAL 433 HA VAL 433 -10.317 -11.338 -16.734 956 HB VAL 433 HB VAL 433 -12.109 -10.126 -18.886 957 HG11 VAL 433 1HG1 VAL 433 -10.254 -8.575 -18.457 958 HG12 VAL 433 2HG1 VAL 433 -10.049 -9.357 -20.021 959 HG13 VAL 433 3HG1 VAL 433 -9.080 -9.881 -18.641 960 HG21 VAL 433 1HG2 VAL 433 -11.778 -12.527 -19.169 961 HG22 VAL 433 2HG2 VAL 433 -10.034 -12.334 -19.047 962 HG23 VAL 433 3HG2 VAL 433 -10.897 -11.648 -20.419 963 H ALA 434 H ALA 434 -13.314 -9.556 -16.288 964 HA ALA 434 HA ALA 434 -12.100 -7.064 -15.534 965 HB1 ALA 434 1HB ALA 434 -14.891 -8.095 -14.938 966 HB2 ALA 434 2HB ALA 434 -14.410 -7.165 -16.358 967 HB3 ALA 434 3HB ALA 434 -14.341 -6.427 -14.758 968 H ARG 435 H ARG 435 -12.846 -10.049 -13.828 969 HA ARG 435 HA ARG 435 -12.434 -9.034 -11.170 970 HB2 ARG 435 2HB ARG 435 -12.186 -11.888 -12.207 971 HB3 ARG 435 1HB ARG 435 -12.145 -11.438 -10.506 972 HG2 ARG 435 2HG ARG 435 -14.510 -11.172 -12.391 973 HG3 ARG 435 1HG ARG 435 -14.319 -12.345 -11.088 974 HD2 ARG 435 2HD ARG 435 -14.286 -10.453 -9.454 975 HD3 ARG 435 1HD ARG 435 -14.616 -9.334 -10.783 976 HE ARG 435 HE ARG 435 -16.452 -11.549 -10.042 977 HH11 ARG 435 1HH1 ARG 435 -15.991 -8.160 -10.864 978 HH12 ARG 435 2HH1 ARG 435 -17.684 -7.806 -10.844 979 HH21 ARG 435 1HH2 ARG 435 -18.663 -11.063 -10.030 980 HH22 ARG 435 2HH2 ARG 435 -19.204 -9.453 -10.371 981 H TYR 436 H TYR 436 -10.337 -10.611 -13.591 982 HA TYR 436 HA TYR 436 -7.918 -10.566 -12.122 983 HB2 TYR 436 2HB TYR 436 -8.423 -10.372 -15.122 984 HB3 TYR 436 1HB TYR 436 -6.814 -10.517 -14.425 985 HD1 TYR 436 HD1 TYR 436 -6.675 -12.554 -12.599 986 HD2 TYR 436 HD2 TYR 436 -9.296 -12.405 -15.965 987 HE1 TYR 436 HE1 TYR 436 -6.834 -14.998 -12.592 988 HE2 TYR 436 HE2 TYR 436 -9.454 -14.858 -15.954 989 HH TYR 436 HH TYR 436 -8.403 -16.744 -13.362 990 H LYS 437 H LYS 437 -9.304 -8.291 -14.420 991 HA LYS 437 HA LYS 437 -7.295 -6.314 -14.344 992 HB2 LYS 437 2HB LYS 437 -8.648 -6.390 -16.284 993 HB3 LYS 437 1HB LYS 437 -10.147 -6.413 -15.367 994 HG2 LYS 437 2HG LYS 437 -9.923 -4.068 -14.831 995 HG3 LYS 437 1HG LYS 437 -8.316 -3.999 -15.564 996 HD2 LYS 437 2HD LYS 437 -9.219 -4.290 -17.775 997 HD3 LYS 437 1HD LYS 437 -10.803 -4.747 -17.147 998 HE2 LYS 437 2HE LYS 437 -10.681 -2.418 -18.083 999 HE3 LYS 437 1HE LYS 437 -11.262 -2.509 -16.424 1000 HZ1 LYS 437 1HZ LYS 437 -9.095 -1.828 -15.643 1001 HZ2 LYS 437 2HZ LYS 437 -9.699 -0.698 -16.744 1002 HZ3 LYS 437 3HZ LYS 437 -8.491 -1.780 -17.223 1003 H ALA 438 H ALA 438 -10.202 -6.854 -12.412 1004 HA ALA 438 HA ALA 438 -10.277 -4.325 -11.110 1005 HB1 ALA 438 1HB ALA 438 -12.195 -5.857 -10.984 1006 HB2 ALA 438 2HB ALA 438 -11.640 -5.428 -9.369 1007 HB3 ALA 438 3HB ALA 438 -11.240 -7.011 -10.045 1008 H GLN 439 H GLN 439 -9.041 -7.490 -9.940 1009 HA GLN 439 HA GLN 439 -7.834 -6.433 -7.610 1010 HB2 GLN 439 2HB GLN 439 -7.320 -9.071 -9.038 1011 HB3 GLN 439 1HB GLN 439 -6.725 -8.677 -7.427 1012 HG2 GLN 439 2HG GLN 439 -9.615 -9.021 -8.283 1013 HG3 GLN 439 1HG GLN 439 -8.687 -10.058 -7.198 1014 HE21 GLN 439 1HE2 GLN 439 -11.207 -8.692 -6.697 1015 HE22 GLN 439 2HE2 GLN 439 -10.944 -7.677 -5.327 1016 H PHE 440 H PHE 440 -6.708 -6.827 -10.871 1017 HA PHE 440 HA PHE 440 -3.935 -6.450 -10.473 1018 HB2 PHE 440 2HB PHE 440 -4.907 -7.312 -12.599 1019 HB3 PHE 440 1HB PHE 440 -5.622 -5.736 -12.922 1020 HD1 PHE 440 HD1 PHE 440 -2.324 -7.404 -12.303 1021 HD2 PHE 440 HD2 PHE 440 -4.378 -4.158 -14.190 1022 HE1 PHE 440 HE1 PHE 440 -0.255 -6.741 -13.435 1023 HE2 PHE 440 HE2 PHE 440 -2.296 -3.507 -15.327 1024 HZ PHE 440 HZ PHE 440 -0.232 -4.802 -14.947 1025 H THR 441 H THR 441 -6.432 -4.123 -11.592 1026 HA THR 441 HA THR 441 -4.689 -1.880 -11.594 1027 HB THR 441 HB THR 441 -7.735 -1.930 -11.746 1028 HG1 THR 441 HG1 THR 441 -6.584 -3.200 -13.353 1029 HG21 THR 441 1HG2 THR 441 -5.772 0.196 -12.705 1030 HG22 THR 441 2HG2 THR 441 -6.875 0.355 -11.337 1031 HG23 THR 441 3HG2 THR 441 -7.519 0.206 -12.971 1032 H GLN 442 H GLN 442 -7.005 -3.083 -9.248 1033 HA GLN 442 HA GLN 442 -7.061 -0.899 -7.436 1034 HB2 GLN 442 2HB GLN 442 -7.605 -3.867 -7.069 1035 HB3 GLN 442 1HB GLN 442 -7.839 -2.693 -5.778 1036 HG2 GLN 442 2HG GLN 442 -9.584 -1.572 -7.005 1037 HG3 GLN 442 1HG GLN 442 -9.245 -2.518 -8.455 1038 HE21 GLN 442 1HE2 GLN 442 -8.988 -5.079 -7.049 1039 HE22 GLN 442 2HE2 GLN 442 -10.580 -5.530 -6.562 1040 H LEU 443 H LEU 443 -5.219 -3.991 -7.325 1041 HA LEU 443 HA LEU 443 -3.557 -3.163 -5.127 1042 HB2 LEU 443 2HB LEU 443 -3.441 -5.503 -7.046 1043 HB3 LEU 443 1HB LEU 443 -2.125 -5.202 -5.931 1044 HG LEU 443 HG LEU 443 -3.576 -5.602 -4.005 1045 HD11 LEU 443 1HD1 LEU 443 -5.880 -6.070 -5.923 1046 HD12 LEU 443 2HD1 LEU 443 -5.703 -4.709 -4.814 1047 HD13 LEU 443 3HD1 LEU 443 -5.895 -6.337 -4.175 1048 HD21 LEU 443 1HD2 LEU 443 -4.027 -8.003 -4.336 1049 HD22 LEU 443 2HD2 LEU 443 -2.471 -7.539 -5.013 1050 HD23 LEU 443 3HD2 LEU 443 -3.849 -7.807 -6.085 1051 H ASP 444 H ASP 444 -3.484 -2.528 -8.503 1052 HA ASP 444 HA ASP 444 -0.654 -2.059 -8.829 1053 HB2 ASP 444 2HB ASP 444 -2.019 -2.692 -10.758 1054 HB3 ASP 444 1HB ASP 444 -3.026 -1.266 -10.556 1055 H THR 445 H THR 445 -3.533 0.052 -8.468 1056 HA THR 445 HA THR 445 -2.072 2.497 -8.444 1057 HB THR 445 HB THR 445 -4.507 2.511 -8.935 1058 HG1 THR 445 HG1 THR 445 -5.007 4.318 -7.466 1059 HG21 THR 445 1HG2 THR 445 -5.303 0.838 -7.293 1060 HG22 THR 445 2HG2 THR 445 -6.181 2.358 -7.133 1061 HG23 THR 445 3HG2 THR 445 -4.917 1.948 -5.972 1062 H MET 446 H MET 446 -3.164 0.237 -5.922 1063 HA MET 446 HA MET 446 -2.164 1.641 -3.682 1064 HB2 MET 446 2HB MET 446 -3.662 -0.394 -3.549 1065 HB3 MET 446 1HB MET 446 -2.282 -1.396 -3.988 1066 HG2 MET 446 2HG MET 446 -1.085 -0.602 -1.978 1067 HG3 MET 446 1HG MET 446 -2.488 0.362 -1.527 1068 HE1 MET 446 1HE MET 446 -2.604 -0.647 0.865 1069 HE2 MET 446 2HE MET 446 -1.137 -1.565 0.527 1070 HE3 MET 446 3HE MET 446 -2.542 -2.372 1.218 1071 H MET 447 H MET 447 -0.655 -0.669 -5.920 1072 HA MET 447 HA MET 447 1.777 -1.139 -4.604 1073 HB2 MET 447 2HB MET 447 1.030 -2.498 -6.535 1074 HB3 MET 447 1HB MET 447 1.222 -1.119 -7.601 1075 HG2 MET 447 2HG MET 447 3.223 -2.058 -8.096 1076 HG3 MET 447 1HG MET 447 3.769 -1.353 -6.583 1077 HE1 MET 447 1HE MET 447 2.296 -3.265 -4.434 1078 HE2 MET 447 2HE MET 447 3.987 -2.777 -4.301 1079 HE3 MET 447 3HE MET 447 3.547 -4.483 -4.187 1080 H SER 448 H SER 448 1.072 1.190 -7.202 1081 HA SER 448 HA SER 448 3.623 2.354 -7.393 1082 HB2 SER 448 2HB SER 448 2.367 4.227 -8.573 1083 HB3 SER 448 1HB SER 448 2.051 2.609 -9.198 1084 HG SER 448 HG SER 448 0.387 3.853 -7.264 1085 H LYS 449 H LYS 449 0.767 3.224 -5.443 1086 HA LYS 449 HA LYS 449 1.942 5.623 -4.385 1087 HB2 LYS 449 2HB LYS 449 -0.465 4.016 -3.459 1088 HB3 LYS 449 1HB LYS 449 0.039 5.539 -2.723 1089 HG2 LYS 449 2HG LYS 449 -0.177 6.571 -5.069 1090 HG3 LYS 449 1HG LYS 449 -0.982 5.079 -5.540 1091 HD2 LYS 449 2HD LYS 449 -2.652 6.755 -5.023 1092 HD3 LYS 449 1HD LYS 449 -2.719 5.498 -3.785 1093 HE2 LYS 449 2HE LYS 449 -1.534 6.923 -2.209 1094 HE3 LYS 449 1HE LYS 449 -1.232 8.128 -3.462 1095 HZ1 LYS 449 1HZ LYS 449 -3.638 8.460 -3.627 1096 HZ2 LYS 449 2HZ LYS 449 -3.045 8.835 -2.091 1097 HZ3 LYS 449 3HZ LYS 449 -3.881 7.386 -2.343 1098 H LEU 450 H LEU 450 1.773 2.257 -3.240 1099 HA LEU 450 HA LEU 450 2.753 2.900 -0.605 1100 HB2 LEU 450 2HB LEU 450 2.629 0.600 -0.021 1101 HB3 LEU 450 1HB LEU 450 1.227 0.958 -0.995 1102 HG LEU 450 HG LEU 450 2.549 -0.167 -2.954 1103 HD11 LEU 450 1HD1 LEU 450 4.111 -1.384 -0.654 1104 HD12 LEU 450 2HD1 LEU 450 4.760 -0.359 -1.936 1105 HD13 LEU 450 3HD1 LEU 450 4.120 -1.951 -2.328 1106 HD21 LEU 450 1HD2 LEU 450 0.530 -1.120 -1.960 1107 HD22 LEU 450 2HD2 LEU 450 1.486 -1.863 -0.674 1108 HD23 LEU 450 3HD2 LEU 450 1.693 -2.384 -2.348 1109 H ASN 451 H ASN 451 4.132 2.115 -3.649 1110 HA ASN 451 HA ASN 451 6.748 1.380 -2.738 1111 HB2 ASN 451 2HB ASN 451 5.746 0.798 -5.004 1112 HB3 ASN 451 1HB ASN 451 5.946 2.482 -5.469 1113 HD21 ASN 451 1HD2 ASN 451 8.084 3.289 -5.793 1114 HD22 ASN 451 2HD2 ASN 451 9.422 2.223 -6.016 1115 H ASN 452 H ASN 452 5.255 4.335 -4.063 1116 HA ASN 452 HA ASN 452 7.417 6.110 -3.828 1117 HB2 ASN 452 2HB ASN 452 5.361 6.676 -5.084 1118 HB3 ASN 452 1HB ASN 452 4.430 6.706 -3.591 1119 HD21 ASN 452 1HD2 ASN 452 3.816 8.845 -3.683 1120 HD22 ASN 452 2HD2 ASN 452 4.908 10.175 -3.569 1121 H THR 453 H THR 453 4.830 5.291 -1.521 1122 HA THR 453 HA THR 453 5.549 7.133 0.473 1123 HB THR 453 HB THR 453 4.196 5.684 2.041 1124 HG1 THR 453 HG1 THR 453 3.766 3.743 1.455 1125 HG21 THR 453 1HG2 THR 453 2.826 6.357 -0.596 1126 HG22 THR 453 2HG2 THR 453 3.046 7.472 0.752 1127 HG23 THR 453 3HG2 THR 453 2.010 6.059 0.942 1128 H SER 454 H SER 454 6.119 3.554 0.464 1129 HA SER 454 HA SER 454 7.718 3.405 2.728 1130 HB2 SER 454 2HB SER 454 8.601 1.241 1.797 1131 HB3 SER 454 1HB SER 454 6.850 1.394 1.642 1132 HG SER 454 HG SER 454 7.040 1.378 -0.440 1133 H SER 455 H SER 455 8.682 4.308 -0.547 1134 HA SER 455 HA SER 455 11.485 4.337 -0.258 1135 HB2 SER 455 2HB SER 455 10.321 4.643 -2.418 1136 HB3 SER 455 1HB SER 455 9.729 6.216 -1.882 1137 HG SER 455 HG SER 455 12.489 5.563 -2.047 1138 H TYR 456 H TYR 456 9.298 7.234 0.018 1139 HA TYR 456 HA TYR 456 11.402 8.757 1.275 1140 HB2 TYR 456 2HB TYR 456 9.815 10.627 1.470 1141 HB3 TYR 456 1HB TYR 456 9.878 9.964 -0.150 1142 HD1 TYR 456 HD1 TYR 456 7.801 9.484 2.980 1143 HD2 TYR 456 HD2 TYR 456 7.825 9.875 -1.274 1144 HE1 TYR 456 HE1 TYR 456 5.357 9.423 2.958 1145 HE2 TYR 456 HE2 TYR 456 5.375 9.805 -1.287 1146 HH TYR 456 HH TYR 456 3.552 9.022 0.104 1147 H LEU 457 H LEU 457 9.054 6.627 2.538 1148 HA LEU 457 HA LEU 457 8.850 7.734 5.197 1149 HB2 LEU 457 2HB LEU 457 8.047 5.031 4.075 1150 HB3 LEU 457 1HB LEU 457 7.860 5.439 5.772 1151 HG LEU 457 HG LEU 457 6.397 6.712 3.428 1152 HD11 LEU 457 1HD1 LEU 457 5.391 4.972 5.713 1153 HD12 LEU 457 2HD1 LEU 457 5.560 4.487 4.025 1154 HD13 LEU 457 3HD1 LEU 457 4.382 5.720 4.468 1155 HD21 LEU 457 1HD2 LEU 457 5.178 8.047 5.103 1156 HD22 LEU 457 2HD2 LEU 457 6.896 8.437 5.072 1157 HD23 LEU 457 3HD2 LEU 457 6.246 7.429 6.367 1158 H THR 458 H THR 458 10.813 5.206 3.618 1159 HA THR 458 HA THR 458 12.075 4.411 6.077 1160 HB THR 458 HB THR 458 11.921 2.914 4.028 1161 HG1 THR 458 HG1 THR 458 13.232 2.222 5.640 1162 HG21 THR 458 1HG2 THR 458 12.731 4.461 2.293 1163 HG22 THR 458 2HG2 THR 458 13.752 3.026 2.380 1164 HG23 THR 458 3HG2 THR 458 14.304 4.542 3.091 1165 H GLN 459 H GLN 459 12.783 6.737 3.499 1166 HA GLN 459 HA GLN 459 15.222 7.751 4.588 1167 HB2 GLN 459 2HB GLN 459 13.071 9.177 2.967 1168 HB3 GLN 459 1HB GLN 459 14.708 9.780 3.228 1169 HG2 GLN 459 2HG GLN 459 15.631 7.872 1.982 1170 HG3 GLN 459 1HG GLN 459 14.010 7.207 1.776 1171 HE21 GLN 459 1HE2 GLN 459 14.847 10.648 1.445 1172 HE22 GLN 459 2HE2 GLN 459 14.530 10.751 -0.245 1173 H GLN 460 H GLN 460 11.806 8.468 5.250 1174 HA GLN 460 HA GLN 460 12.150 10.733 6.933 1175 HB2 GLN 460 2HB GLN 460 9.974 10.227 5.898 1176 HB3 GLN 460 1HB GLN 460 9.868 8.715 6.781 1177 HG2 GLN 460 2HG GLN 460 8.390 10.294 7.815 1178 HG3 GLN 460 1HG GLN 460 9.735 10.006 8.915 1179 HE21 GLN 460 1HE2 GLN 460 11.304 11.691 9.201 1180 HE22 GLN 460 2HE2 GLN 460 10.933 13.332 8.813 1181 H PHE 461 H PHE 461 11.939 7.262 7.581 1182 HA PHE 461 HA PHE 461 11.955 7.291 10.399 1183 HB2 PHE 461 2HB PHE 461 11.364 5.254 9.208 1184 HB3 PHE 461 1HB PHE 461 12.918 5.213 8.386 1185 HD1 PHE 461 HD1 PHE 461 11.819 5.469 11.989 1186 HD2 PHE 461 HD2 PHE 461 14.238 3.412 9.123 1187 HE1 PHE 461 HE1 PHE 461 12.681 4.003 13.760 1188 HE2 PHE 461 HE2 PHE 461 15.100 1.952 10.909 1189 HZ PHE 461 HZ PHE 461 14.321 2.246 13.229 1190 H THR 462 H THR 462 14.591 6.887 8.052 1191 HA THR 462 HA THR 462 16.704 6.666 9.892 1192 HB THR 462 HB THR 462 16.920 7.656 7.008 1193 HG1 THR 462 HG1 THR 462 16.215 5.744 6.483 1194 HG21 THR 462 1HG2 THR 462 19.134 6.573 7.054 1195 HG22 THR 462 2HG2 THR 462 18.887 6.089 8.732 1196 HG23 THR 462 3HG2 THR 462 19.035 7.799 8.316 1197 H ALA 463 H ALA 463 15.240 9.510 8.362 1198 HA ALA 463 HA ALA 463 17.333 11.356 9.106 1199 HB1 ALA 463 1HB ALA 463 14.520 11.891 8.101 1200 HB2 ALA 463 2HB ALA 463 15.964 11.722 7.101 1201 HB3 ALA 463 3HB ALA 463 15.817 13.085 8.216 1202 H MET 464 H MET 464 13.960 10.822 10.168 1203 HA MET 464 HA MET 464 13.849 12.839 12.132 1204 HB2 MET 464 2HB MET 464 11.834 11.764 11.161 1205 HB3 MET 464 1HB MET 464 12.235 10.253 11.957 1206 HG2 MET 464 2HG MET 464 11.885 11.311 14.154 1207 HG3 MET 464 1HG MET 464 11.481 12.837 13.363 1208 HE1 MET 464 1HE MET 464 9.768 11.757 10.817 1209 HE2 MET 464 2HE MET 464 9.299 13.148 11.795 1210 HE3 MET 464 3HE MET 464 8.139 11.856 11.482 1211 H ASN 465 H ASN 465 14.839 9.465 12.277 1212 HA ASN 465 HA ASN 465 15.291 9.409 15.120 1213 HB2 ASN 465 2HB ASN 465 14.757 7.391 13.685 1214 HB3 ASN 465 1HB ASN 465 16.349 7.521 12.959 1215 HD21 ASN 465 1HD2 ASN 465 15.248 5.283 14.387 1216 HD22 ASN 465 2HD2 ASN 465 16.247 5.002 15.770 1217 H LYS 466 H LYS 466 17.627 9.150 12.363 1218 HA LYS 466 HA LYS 466 19.556 10.810 13.853 1219 HB2 LYS 466 2HB LYS 466 21.428 9.452 12.828 1220 HB3 LYS 466 1HB LYS 466 20.477 8.626 14.045 1221 HG2 LYS 466 2HG LYS 466 19.747 8.209 11.153 1222 HG3 LYS 466 1HG LYS 466 21.196 7.420 11.771 1223 HD2 LYS 466 2HD LYS 466 18.407 7.118 12.957 1224 HD3 LYS 466 1HD LYS 466 19.174 5.961 11.863 1225 HE2 LYS 466 2HE LYS 466 20.950 5.550 13.512 1226 HE3 LYS 466 1HE LYS 466 20.253 6.761 14.590 1227 HZ1 LYS 466 1HZ LYS 466 18.298 5.412 14.832 1228 HZ2 LYS 466 2HZ LYS 466 19.662 4.500 15.227 1229 HZ3 LYS 466 3HZ LYS 466 18.890 4.264 13.742 1230 H SER 467 H SER 467 18.512 12.596 12.513 1231 HA SER 467 HA SER 467 19.229 13.149 9.903 1232 HB2 SER 467 2HB SER 467 19.393 15.037 12.305 1233 HB3 SER 467 1HB SER 467 19.374 15.555 10.619 1234 HG SER 467 HG SER 467 17.296 13.911 11.094 Start of MODEL 18 1 H1 MET 1 1H MET 1 -1.659 22.343 20.695 2 H2 MET 1 2H MET 1 -0.200 22.383 21.545 3 H3 MET 1 3H MET 1 -1.009 20.919 21.324 4 HA MET 1 HA MET 1 0.098 22.577 19.153 5 HB2 MET 1 2HB MET 1 1.846 20.735 18.992 6 HB3 MET 1 1HB MET 1 1.969 21.766 20.408 7 HG2 MET 1 2HG MET 1 0.850 20.000 21.756 8 HG3 MET 1 1HG MET 1 0.840 18.959 20.331 9 HE1 MET 1 1HE MET 1 3.634 17.341 22.594 10 HE2 MET 1 2HE MET 1 2.155 17.026 21.688 11 HE3 MET 1 3HE MET 1 2.112 18.057 23.121 12 H THR 2 H THR 2 -1.609 22.382 17.781 13 HA THR 2 HA THR 2 -3.254 20.085 17.448 14 HB THR 2 HB THR 2 -4.157 21.351 15.439 15 HG1 THR 2 HG1 THR 2 -2.594 22.606 14.658 16 HG21 THR 2 1HG2 THR 2 -3.926 22.979 18.001 17 HG22 THR 2 2HG2 THR 2 -5.153 21.757 17.661 18 HG23 THR 2 3HG2 THR 2 -5.107 23.246 16.717 19 H SER 3 H SER 3 -0.582 21.432 15.521 20 HA SER 3 HA SER 3 -0.662 19.668 13.331 21 HB2 SER 3 2HB SER 3 1.770 21.103 14.479 22 HB3 SER 3 1HB SER 3 1.587 20.512 12.827 23 HG SER 3 HG SER 3 -0.221 21.997 12.663 24 H THR 4 H THR 4 0.951 19.459 16.460 25 HA THR 4 HA THR 4 2.557 17.169 15.881 26 HB THR 4 HB THR 4 1.762 18.286 18.598 27 HG1 THR 4 HG1 THR 4 4.044 19.180 18.252 28 HG21 THR 4 1HG2 THR 4 2.754 16.028 18.758 29 HG22 THR 4 2HG2 THR 4 3.860 17.248 19.391 30 HG23 THR 4 3HG2 THR 4 4.131 16.562 17.791 31 H VAL 5 H VAL 5 -0.613 17.638 17.511 32 HA VAL 5 HA VAL 5 -0.771 14.937 18.438 33 HB VAL 5 HB VAL 5 -2.018 16.788 19.557 34 HG11 VAL 5 1HG1 VAL 5 -4.172 17.586 18.677 35 HG12 VAL 5 2HG1 VAL 5 -3.894 16.692 17.180 36 HG13 VAL 5 3HG1 VAL 5 -2.830 18.028 17.620 37 HG21 VAL 5 1HG2 VAL 5 -4.070 15.499 20.064 38 HG22 VAL 5 2HG2 VAL 5 -2.649 14.458 20.012 39 HG23 VAL 5 3HG2 VAL 5 -3.779 14.471 18.657 40 H GLU 6 H GLU 6 -2.022 16.624 15.528 41 HA GLU 6 HA GLU 6 -3.487 14.390 14.510 42 HB2 GLU 6 2HB GLU 6 -3.660 15.609 12.416 43 HB3 GLU 6 1HB GLU 6 -3.910 16.723 13.754 44 HG2 GLU 6 2HG GLU 6 -1.602 17.558 13.491 45 HG3 GLU 6 1HG GLU 6 -1.351 16.444 12.151 46 H PHE 7 H PHE 7 -0.159 15.527 14.073 47 HA PHE 7 HA PHE 7 0.899 13.682 12.296 48 HB2 PHE 7 2HB PHE 7 2.223 15.522 13.092 49 HB3 PHE 7 1HB PHE 7 2.028 15.051 14.764 50 HD1 PHE 7 HD1 PHE 7 3.961 14.480 11.673 51 HD2 PHE 7 HD2 PHE 7 3.462 13.307 15.757 52 HE1 PHE 7 HE1 PHE 7 6.188 13.428 11.663 53 HE2 PHE 7 HE2 PHE 7 5.685 12.260 15.717 54 HZ PHE 7 HZ PHE 7 7.049 12.329 13.673 55 H ILE 8 H ILE 8 0.737 13.322 15.862 56 HA ILE 8 HA ILE 8 1.791 10.742 16.142 57 HB ILE 8 HB ILE 8 -0.216 12.227 17.903 58 HG12 ILE 8 2HG1 ILE 8 2.808 11.987 18.258 59 HG13 ILE 8 1HG1 ILE 8 2.010 13.370 17.522 60 HG21 ILE 8 1HG2 ILE 8 -0.304 9.848 18.473 61 HG22 ILE 8 2HG2 ILE 8 0.490 10.745 19.766 62 HG23 ILE 8 3HG2 ILE 8 1.454 9.794 18.636 63 HD11 ILE 8 1HD1 ILE 8 0.832 13.789 19.648 64 HD12 ILE 8 2HD1 ILE 8 2.587 13.860 19.796 65 HD13 ILE 8 3HD1 ILE 8 1.714 12.443 20.376 66 H ASN 9 H ASN 9 -1.608 11.777 16.044 67 HA ASN 9 HA ASN 9 -2.813 9.285 16.559 68 HB2 ASN 9 2HB ASN 9 -3.916 11.816 15.274 69 HB3 ASN 9 1HB ASN 9 -4.917 10.420 15.643 70 HD21 ASN 9 1HD2 ASN 9 -2.308 11.507 17.808 71 HD22 ASN 9 2HD2 ASN 9 -3.355 12.078 19.046 72 H ARG 10 H ARG 10 -2.142 10.957 13.478 73 HA ARG 10 HA ARG 10 -3.420 8.912 11.879 74 HB2 ARG 10 2HB ARG 10 -1.724 11.289 11.038 75 HB3 ARG 10 1HB ARG 10 -2.589 10.225 9.924 76 HG2 ARG 10 2HG ARG 10 -4.737 10.914 10.864 77 HG3 ARG 10 1HG ARG 10 -3.917 11.883 12.094 78 HD2 ARG 10 2HD ARG 10 -3.921 12.364 9.103 79 HD3 ARG 10 1HD ARG 10 -4.721 13.341 10.340 80 HE ARG 10 HE ARG 10 -1.948 13.174 10.884 81 HH11 ARG 10 1HH1 ARG 10 -4.172 14.779 8.695 82 HH12 ARG 10 2HH1 ARG 10 -3.110 16.122 8.423 83 HH21 ARG 10 1HH2 ARG 10 -0.562 14.910 10.491 84 HH22 ARG 10 2HH2 ARG 10 -1.068 16.195 9.441 85 H TRP 11 H TRP 11 -0.099 9.580 12.930 86 HA TRP 11 HA TRP 11 1.139 7.620 11.267 87 HB2 TRP 11 2HB TRP 11 1.960 8.978 13.842 88 HB3 TRP 11 1HB TRP 11 2.831 7.527 13.362 89 HD1 TRP 11 HD1 TRP 11 3.061 11.134 12.979 90 HE1 TRP 11 HE1 TRP 11 4.596 11.768 11.039 91 HE3 TRP 11 HE3 TRP 11 3.396 6.591 10.648 92 HZ2 TRP 11 HZ2 TRP 11 5.800 10.566 8.833 93 HZ3 TRP 11 HZ3 TRP 11 4.776 6.425 8.611 94 HH2 TRP 11 HH2 TRP 11 5.952 8.382 7.731 95 H GLN 12 H GLN 12 -0.492 7.477 14.407 96 HA GLN 12 HA GLN 12 -0.022 4.776 15.037 97 HB2 GLN 12 2HB GLN 12 -1.002 6.428 16.639 98 HB3 GLN 12 1HB GLN 12 -2.495 6.436 15.703 99 HG2 GLN 12 2HG GLN 12 -2.710 3.965 16.176 100 HG3 GLN 12 1HG GLN 12 -1.313 4.110 17.245 101 HE21 GLN 12 1HE2 GLN 12 -2.529 3.440 19.028 102 HE22 GLN 12 2HE2 GLN 12 -3.725 4.441 19.770 103 H ARG 13 H ARG 13 -2.569 6.353 13.109 104 HA ARG 13 HA ARG 13 -4.006 4.087 12.312 105 HB2 ARG 13 2HB ARG 13 -3.410 6.542 10.608 106 HB3 ARG 13 1HB ARG 13 -4.693 5.376 10.314 107 HG2 ARG 13 2HG ARG 13 -4.490 7.269 12.673 108 HG3 ARG 13 1HG ARG 13 -5.587 7.414 11.303 109 HD2 ARG 13 2HD ARG 13 -6.713 5.329 11.982 110 HD3 ARG 13 1HD ARG 13 -5.614 5.178 13.360 111 HE ARG 13 HE ARG 13 -7.415 7.500 13.016 112 HH11 ARG 13 1HH1 ARG 13 -6.176 4.924 15.069 113 HH12 ARG 13 2HH1 ARG 13 -7.037 5.468 16.467 114 HH21 ARG 13 1HH2 ARG 13 -8.548 8.185 14.833 115 HH22 ARG 13 2HH2 ARG 13 -8.391 7.327 16.334 116 H ILE 14 H ILE 14 -1.216 5.645 10.682 117 HA ILE 14 HA ILE 14 -0.946 4.008 8.453 118 HB ILE 14 HB ILE 14 1.187 5.537 10.021 119 HG12 ILE 14 2HG1 ILE 14 -0.229 6.309 7.426 120 HG13 ILE 14 1HG1 ILE 14 -0.715 6.867 9.018 121 HG21 ILE 14 1HG2 ILE 14 1.466 4.401 7.215 122 HG22 ILE 14 2HG2 ILE 14 2.325 3.846 8.652 123 HG23 ILE 14 3HG2 ILE 14 2.626 5.462 8.018 124 HD11 ILE 14 1HD1 ILE 14 1.912 7.463 7.667 125 HD12 ILE 14 2HD1 ILE 14 1.435 8.011 9.275 126 HD13 ILE 14 3HD1 ILE 14 0.546 8.560 7.856 127 H ALA 15 H ALA 15 0.603 3.603 11.650 128 HA ALA 15 HA ALA 15 2.203 1.352 10.991 129 HB1 ALA 15 1HB ALA 15 1.263 2.304 13.716 130 HB2 ALA 15 2HB ALA 15 2.706 2.860 12.867 131 HB3 ALA 15 3HB ALA 15 2.600 1.186 13.410 132 H LEU 16 H LEU 16 -0.908 1.605 12.751 133 HA LEU 16 HA LEU 16 -1.142 -1.199 13.274 134 HB2 LEU 16 2HB LEU 16 -3.201 1.027 13.449 135 HB3 LEU 16 1HB LEU 16 -3.476 -0.609 14.025 136 HG LEU 16 HG LEU 16 -1.377 1.309 15.123 137 HD11 LEU 16 1HD1 LEU 16 -2.787 1.430 17.134 138 HD12 LEU 16 2HD1 LEU 16 -4.015 0.437 16.345 139 HD13 LEU 16 3HD1 LEU 16 -3.628 2.038 15.708 140 HD21 LEU 16 1HD2 LEU 16 -0.621 -1.013 15.316 141 HD22 LEU 16 2HD2 LEU 16 -2.140 -1.471 16.089 142 HD23 LEU 16 3HD2 LEU 16 -1.031 -0.366 16.904 143 H LEU 17 H LEU 17 -2.328 0.914 10.725 144 HA LEU 17 HA LEU 17 -4.224 -0.899 9.593 145 HB2 LEU 17 2HB LEU 17 -2.866 1.571 8.436 146 HB3 LEU 17 1HB LEU 17 -4.033 0.620 7.529 147 HG LEU 17 HG LEU 17 -4.628 2.052 10.151 148 HD11 LEU 17 1HD1 LEU 17 -4.228 3.645 8.331 149 HD12 LEU 17 2HD1 LEU 17 -5.916 3.649 8.828 150 HD13 LEU 17 3HD1 LEU 17 -5.439 2.833 7.335 151 HD21 LEU 17 1HD2 LEU 17 -6.979 1.503 9.682 152 HD22 LEU 17 2HD2 LEU 17 -5.999 0.055 9.881 153 HD23 LEU 17 3HD2 LEU 17 -6.488 0.571 8.264 154 H SER 18 H SER 18 -0.877 0.052 8.651 155 HA SER 18 HA SER 18 -0.558 -1.622 6.447 156 HB2 SER 18 2HB SER 18 1.910 -1.480 6.909 157 HB3 SER 18 1HB SER 18 1.103 0.084 6.944 158 HG SER 18 HG SER 18 1.753 0.300 8.908 159 H GLN 19 H GLN 19 0.111 -2.245 9.868 160 HA GLN 19 HA GLN 19 1.059 -4.857 9.797 161 HB2 GLN 19 2HB GLN 19 1.032 -3.353 11.776 162 HB3 GLN 19 1HB GLN 19 -0.715 -3.518 11.886 163 HG2 GLN 19 2HG GLN 19 -0.464 -5.908 12.413 164 HG3 GLN 19 1HG GLN 19 1.286 -5.764 12.263 165 HE21 GLN 19 1HE2 GLN 19 -0.810 -3.350 13.811 166 HE22 GLN 19 2HE2 GLN 19 -0.206 -3.600 15.408 167 H SER 20 H SER 20 -2.327 -3.780 10.222 168 HA SER 20 HA SER 20 -3.497 -6.338 10.415 169 HB2 SER 20 2HB SER 20 -4.816 -3.714 9.590 170 HB3 SER 20 1HB SER 20 -5.662 -5.170 10.126 171 HG SER 20 HG SER 20 -4.530 -3.214 11.595 172 H LEU 21 H LEU 21 -3.351 -4.085 7.632 173 HA LEU 21 HA LEU 21 -4.794 -5.788 5.874 174 HB2 LEU 21 2HB LEU 21 -4.325 -4.134 4.114 175 HB3 LEU 21 1HB LEU 21 -4.944 -3.403 5.572 176 HG LEU 21 HG LEU 21 -2.478 -2.771 6.102 177 HD11 LEU 21 1HD1 LEU 21 -0.997 -2.431 4.198 178 HD12 LEU 21 2HD1 LEU 21 -2.131 -3.290 3.153 179 HD13 LEU 21 3HD1 LEU 21 -1.330 -4.139 4.476 180 HD21 LEU 21 1HD2 LEU 21 -3.899 -1.393 3.804 181 HD22 LEU 21 2HD2 LEU 21 -2.590 -0.701 4.770 182 HD23 LEU 21 3HD2 LEU 21 -4.131 -1.084 5.527 183 H LEU 22 H LEU 22 -1.390 -5.440 6.641 184 HA LEU 22 HA LEU 22 -0.275 -6.904 4.500 185 HB2 LEU 22 2HB LEU 22 1.212 -5.786 6.101 186 HB3 LEU 22 1HB LEU 22 0.604 -6.781 7.416 187 HG LEU 22 HG LEU 22 1.573 -8.810 6.270 188 HD11 LEU 22 1HD1 LEU 22 3.221 -8.556 4.496 189 HD12 LEU 22 2HD1 LEU 22 2.884 -6.827 4.396 190 HD13 LEU 22 3HD1 LEU 22 1.632 -7.999 3.976 191 HD21 LEU 22 1HD2 LEU 22 2.770 -7.757 8.112 192 HD22 LEU 22 2HD2 LEU 22 3.594 -6.675 6.990 193 HD23 LEU 22 3HD2 LEU 22 3.891 -8.411 6.922 194 H GLU 23 H GLU 23 -1.473 -7.935 7.693 195 HA GLU 23 HA GLU 23 -1.219 -10.710 7.387 196 HB2 GLU 23 2HB GLU 23 -3.325 -9.171 8.958 197 HB3 GLU 23 1HB GLU 23 -2.940 -10.876 9.176 198 HG2 GLU 23 2HG GLU 23 -0.681 -10.303 9.928 199 HG3 GLU 23 1HG GLU 23 -0.998 -8.593 9.640 200 H LEU 24 H LEU 24 -3.902 -8.539 6.526 201 HA LEU 24 HA LEU 24 -5.762 -10.484 5.640 202 HB2 LEU 24 2HB LEU 24 -5.486 -7.547 4.865 203 HB3 LEU 24 1HB LEU 24 -6.902 -8.537 4.540 204 HG LEU 24 HG LEU 24 -5.881 -7.897 7.338 205 HD11 LEU 24 1HD1 LEU 24 -6.616 -5.828 6.318 206 HD12 LEU 24 2HD1 LEU 24 -7.790 -6.332 7.530 207 HD13 LEU 24 3HD1 LEU 24 -8.137 -6.565 5.815 208 HD21 LEU 24 1HD2 LEU 24 -7.130 -9.994 7.248 209 HD22 LEU 24 2HD2 LEU 24 -8.479 -9.184 6.448 210 HD23 LEU 24 3HD2 LEU 24 -8.052 -8.761 8.108 211 H ALA 25 H ALA 25 -3.138 -8.793 3.969 212 HA ALA 25 HA ALA 25 -3.724 -9.673 1.315 213 HB1 ALA 25 1HB ALA 25 -1.071 -8.748 2.483 214 HB2 ALA 25 2HB ALA 25 -2.301 -7.706 1.768 215 HB3 ALA 25 3HB ALA 25 -1.459 -8.886 0.762 216 H GLN 26 H GLN 26 -1.660 -10.902 3.919 217 HA GLN 26 HA GLN 26 -0.517 -13.127 2.541 218 HB2 GLN 26 2HB GLN 26 -0.937 -12.630 5.523 219 HB3 GLN 26 1HB GLN 26 0.050 -13.931 4.864 220 HG2 GLN 26 2HG GLN 26 1.604 -12.323 3.897 221 HG3 GLN 26 1HG GLN 26 0.585 -10.980 4.418 222 HE21 GLN 26 1HE2 GLN 26 0.540 -10.439 6.627 223 HE22 GLN 26 2HE2 GLN 26 1.743 -10.989 7.731 224 H ARG 27 H ARG 27 -3.438 -12.617 4.385 225 HA ARG 27 HA ARG 27 -4.314 -15.353 4.538 226 HB2 ARG 27 2HB ARG 27 -5.664 -12.672 5.057 227 HB3 ARG 27 1HB ARG 27 -6.520 -14.196 5.225 228 HG2 ARG 27 2HG ARG 27 -4.016 -13.522 6.799 229 HG3 ARG 27 1HG ARG 27 -5.651 -13.193 7.371 230 HD2 ARG 27 2HD ARG 27 -4.527 -15.929 6.696 231 HD3 ARG 27 1HD ARG 27 -4.806 -15.285 8.318 232 HE ARG 27 HE ARG 27 -7.081 -15.493 6.455 233 HH11 ARG 27 1HH1 ARG 27 -5.537 -16.665 9.391 234 HH12 ARG 27 2HH1 ARG 27 -6.947 -17.519 9.927 235 HH21 ARG 27 1HH2 ARG 27 -8.909 -16.627 7.160 236 HH22 ARG 27 2HH2 ARG 27 -8.861 -17.498 8.660 237 H GLY 28 H GLY 28 -4.626 -12.716 2.270 238 HA2 GLY 28 2HA GLY 28 -5.046 -13.071 -0.034 239 HA3 GLY 28 1HA GLY 28 -6.051 -14.456 0.353 240 H GLU 29 H GLU 29 -6.979 -12.152 2.524 241 HA GLU 29 HA GLU 29 -9.408 -11.504 1.136 242 HB2 GLU 29 2HB GLU 29 -8.305 -10.697 3.849 243 HB3 GLU 29 1HB GLU 29 -9.776 -9.971 3.208 244 HG2 GLU 29 2HG GLU 29 -10.460 -11.720 4.657 245 HG3 GLU 29 1HG GLU 29 -10.758 -12.273 3.017 246 H TRP 30 H TRP 30 -8.866 -10.403 -0.671 247 HA TRP 30 HA TRP 30 -7.201 -8.075 -0.732 248 HB2 TRP 30 2HB TRP 30 -9.133 -9.055 -2.875 249 HB3 TRP 30 1HB TRP 30 -7.769 -7.962 -3.102 250 HD1 TRP 30 HD1 TRP 30 -8.530 -11.311 -3.984 251 HE1 TRP 30 HE1 TRP 30 -6.474 -12.848 -4.060 252 HE3 TRP 30 HE3 TRP 30 -5.234 -8.445 -1.312 253 HZ2 TRP 30 HZ2 TRP 30 -3.833 -12.860 -3.131 254 HZ3 TRP 30 HZ3 TRP 30 -2.963 -9.300 -0.949 255 HH2 TRP 30 HH2 TRP 30 -2.276 -11.463 -1.839 256 H ASP 31 H ASP 31 -10.676 -8.670 -0.560 257 HA ASP 31 HA ASP 31 -11.646 -6.063 -0.970 258 HB2 ASP 31 2HB ASP 31 -12.722 -8.327 0.767 259 HB3 ASP 31 1HB ASP 31 -13.611 -6.830 0.492 260 H LEU 32 H LEU 32 -10.620 -7.702 2.000 261 HA LEU 32 HA LEU 32 -11.114 -5.482 3.740 262 HB2 LEU 32 2HB LEU 32 -9.444 -7.984 4.190 263 HB3 LEU 32 1HB LEU 32 -9.944 -6.857 5.441 264 HG LEU 32 HG LEU 32 -11.760 -8.682 3.821 265 HD11 LEU 32 1HD1 LEU 32 -11.112 -8.675 6.785 266 HD12 LEU 32 2HD1 LEU 32 -10.517 -9.830 5.592 267 HD13 LEU 32 3HD1 LEU 32 -12.236 -9.766 5.968 268 HD21 LEU 32 1HD2 LEU 32 -12.919 -6.562 4.165 269 HD22 LEU 32 2HD2 LEU 32 -12.560 -6.609 5.891 270 HD23 LEU 32 3HD2 LEU 32 -13.634 -7.814 5.178 271 H LEU 33 H LEU 33 -8.271 -6.718 2.026 272 HA LEU 33 HA LEU 33 -6.240 -5.080 3.015 273 HB2 LEU 33 2HB LEU 33 -5.839 -6.945 1.445 274 HB3 LEU 33 1HB LEU 33 -6.688 -6.082 0.176 275 HG LEU 33 HG LEU 33 -4.877 -4.315 0.239 276 HD11 LEU 33 1HD1 LEU 33 -2.735 -4.848 1.320 277 HD12 LEU 33 2HD1 LEU 33 -3.470 -6.261 2.080 278 HD13 LEU 33 3HD1 LEU 33 -4.039 -4.641 2.486 279 HD21 LEU 33 1HD2 LEU 33 -3.211 -5.615 -0.992 280 HD22 LEU 33 2HD2 LEU 33 -4.843 -6.079 -1.467 281 HD23 LEU 33 3HD2 LEU 33 -3.911 -7.121 -0.387 282 H LEU 34 H LEU 34 -8.475 -4.474 0.313 283 HA LEU 34 HA LEU 34 -7.536 -1.860 -0.367 284 HB2 LEU 34 2HB LEU 34 -10.110 -3.317 -1.076 285 HB3 LEU 34 1HB LEU 34 -9.586 -1.815 -1.822 286 HG LEU 34 HG LEU 34 -8.064 -4.445 -2.001 287 HD11 LEU 34 1HD1 LEU 34 -9.840 -3.153 -4.092 288 HD12 LEU 34 2HD1 LEU 34 -10.195 -4.622 -3.181 289 HD13 LEU 34 3HD1 LEU 34 -8.849 -4.598 -4.315 290 HD21 LEU 34 1HD2 LEU 34 -6.567 -2.533 -2.193 291 HD22 LEU 34 2HD2 LEU 34 -7.591 -1.813 -3.436 292 HD23 LEU 34 3HD2 LEU 34 -6.738 -3.325 -3.759 293 H GLN 35 H GLN 35 -9.972 -3.083 1.821 294 HA GLN 35 HA GLN 35 -11.445 -0.715 2.302 295 HB2 GLN 35 2HB GLN 35 -12.236 -2.950 3.010 296 HB3 GLN 35 1HB GLN 35 -10.898 -3.089 4.142 297 HG2 GLN 35 2HG GLN 35 -12.976 -2.554 5.308 298 HG3 GLN 35 1HG GLN 35 -11.813 -1.245 5.477 299 HE21 GLN 35 1HE2 GLN 35 -13.819 -1.782 2.585 300 HE22 GLN 35 2HE2 GLN 35 -14.762 -0.352 2.780 301 H GLN 36 H GLN 36 -8.501 -2.055 3.788 302 HA GLN 36 HA GLN 36 -8.246 0.129 5.699 303 HB2 GLN 36 2HB GLN 36 -6.167 -2.015 5.093 304 HB3 GLN 36 1HB GLN 36 -6.316 -1.044 6.552 305 HG2 GLN 36 2HG GLN 36 -8.225 -3.207 5.641 306 HG3 GLN 36 1HG GLN 36 -7.036 -3.351 6.929 307 HE21 GLN 36 1HE2 GLN 36 -10.022 -3.602 6.861 308 HE22 GLN 36 2HE2 GLN 36 -10.573 -2.562 8.124 309 H GLU 37 H GLU 37 -7.066 -0.679 2.526 310 HA GLU 37 HA GLU 37 -4.700 0.679 2.141 311 HB2 GLU 37 2HB GLU 37 -5.652 -0.668 0.363 312 HB3 GLU 37 1HB GLU 37 -7.100 0.330 0.299 313 HG2 GLU 37 2HG GLU 37 -5.581 2.252 -0.469 314 HG3 GLU 37 1HG GLU 37 -4.314 1.041 -0.652 315 H VAL 38 H VAL 38 -7.979 1.971 1.628 316 HA VAL 38 HA VAL 38 -7.254 4.418 0.537 317 HB VAL 38 HB VAL 38 -9.605 5.166 1.035 318 HG11 VAL 38 1HG1 VAL 38 -9.135 3.889 -1.004 319 HG12 VAL 38 2HG1 VAL 38 -10.722 3.457 -0.373 320 HG13 VAL 38 3HG1 VAL 38 -9.353 2.365 -0.139 321 HG21 VAL 38 1HG2 VAL 38 -9.888 2.475 2.441 322 HG22 VAL 38 2HG2 VAL 38 -11.201 3.605 2.091 323 HG23 VAL 38 3HG2 VAL 38 -9.929 4.058 3.223 324 H SER 39 H SER 39 -7.998 3.651 3.929 325 HA SER 39 HA SER 39 -7.670 6.333 4.908 326 HB2 SER 39 2HB SER 39 -7.804 5.169 7.159 327 HB3 SER 39 1HB SER 39 -9.156 4.815 6.082 328 HG SER 39 HG SER 39 -8.634 2.814 6.500 329 H TYR 40 H TYR 40 -5.653 3.465 4.600 330 HA TYR 40 HA TYR 40 -3.486 4.175 6.252 331 HB2 TYR 40 2HB TYR 40 -3.790 1.882 5.554 332 HB3 TYR 40 1HB TYR 40 -3.713 2.318 3.851 333 HD1 TYR 40 HD1 TYR 40 -1.502 2.939 6.841 334 HD2 TYR 40 HD2 TYR 40 -1.774 1.447 2.842 335 HE1 TYR 40 HE1 TYR 40 0.890 2.438 6.857 336 HE2 TYR 40 HE2 TYR 40 0.635 0.944 2.869 337 HH TYR 40 HH TYR 40 2.679 1.811 4.151 338 H LEU 41 H LEU 41 -3.604 4.251 2.678 339 HA LEU 41 HA LEU 41 -1.212 5.661 2.290 340 HB2 LEU 41 2HB LEU 41 -3.619 5.347 0.456 341 HB3 LEU 41 1HB LEU 41 -2.074 6.007 -0.055 342 HG LEU 41 HG LEU 41 -2.524 3.156 0.931 343 HD11 LEU 41 1HD1 LEU 41 -1.996 4.136 -1.896 344 HD12 LEU 41 2HD1 LEU 41 -3.529 3.516 -1.281 345 HD13 LEU 41 3HD1 LEU 41 -2.131 2.449 -1.386 346 HD21 LEU 41 1HD2 LEU 41 0.009 4.442 -0.156 347 HD22 LEU 41 2HD2 LEU 41 -0.196 2.730 0.226 348 HD23 LEU 41 3HD2 LEU 41 -0.275 3.931 1.512 349 H GLN 42 H GLN 42 -4.612 6.787 2.571 350 HA GLN 42 HA GLN 42 -4.256 9.518 2.044 351 HB2 GLN 42 2HB GLN 42 -6.473 8.460 2.346 352 HB3 GLN 42 1HB GLN 42 -6.149 8.201 4.049 353 HG2 GLN 42 2HG GLN 42 -6.251 10.991 2.875 354 HG3 GLN 42 1HG GLN 42 -7.715 10.151 3.361 355 HE21 GLN 42 1HE2 GLN 42 -6.426 8.899 5.727 356 HE22 GLN 42 2HE2 GLN 42 -6.257 10.170 6.881 357 H SER 43 H SER 43 -3.894 7.740 5.128 358 HA SER 43 HA SER 43 -3.336 9.954 6.775 359 HB2 SER 43 2HB SER 43 -2.631 7.017 7.144 360 HB3 SER 43 1HB SER 43 -2.414 8.246 8.398 361 HG SER 43 HG SER 43 -4.671 6.956 7.607 362 H ILE 44 H ILE 44 -1.199 7.869 4.860 363 HA ILE 44 HA ILE 44 1.297 8.895 5.755 364 HB ILE 44 HB ILE 44 0.634 7.728 3.003 365 HG12 ILE 44 2HG1 ILE 44 1.732 6.295 5.477 366 HG13 ILE 44 1HG1 ILE 44 0.084 6.158 4.881 367 HG21 ILE 44 1HG2 ILE 44 3.325 8.082 4.379 368 HG22 ILE 44 2HG2 ILE 44 2.754 8.956 2.956 369 HG23 ILE 44 3HG2 ILE 44 3.068 7.225 2.859 370 HD11 ILE 44 1HD1 ILE 44 1.401 4.224 4.271 371 HD12 ILE 44 2HD1 ILE 44 2.567 5.241 3.429 372 HD13 ILE 44 3HD1 ILE 44 0.912 5.109 2.828 373 H GLU 45 H GLU 45 -0.716 9.722 2.936 374 HA GLU 45 HA GLU 45 0.864 11.745 1.817 375 HB2 GLU 45 2HB GLU 45 -2.145 11.287 1.703 376 HB3 GLU 45 1HB GLU 45 -1.296 12.439 0.675 377 HG2 GLU 45 2HG GLU 45 -0.072 10.674 -0.432 378 HG3 GLU 45 1HG GLU 45 -0.654 9.476 0.722 379 H THR 46 H THR 46 -1.621 11.902 4.352 380 HA THR 46 HA THR 46 -1.789 14.786 4.244 381 HB THR 46 HB THR 46 -3.807 13.403 4.703 382 HG1 THR 46 HG1 THR 46 -3.796 15.581 5.325 383 HG21 THR 46 1HG2 THR 46 -2.814 11.712 6.203 384 HG22 THR 46 2HG2 THR 46 -4.211 12.496 6.942 385 HG23 THR 46 3HG2 THR 46 -2.581 12.950 7.439 386 H VAL 47 H VAL 47 -0.160 12.410 6.431 387 HA VAL 47 HA VAL 47 0.814 14.475 8.204 388 HB VAL 47 HB VAL 47 2.451 12.861 9.080 389 HG11 VAL 47 1HG1 VAL 47 0.902 11.165 9.970 390 HG12 VAL 47 2HG1 VAL 47 -0.284 11.583 8.730 391 HG13 VAL 47 3HG1 VAL 47 0.162 12.768 9.959 392 HG21 VAL 47 1HG2 VAL 47 1.533 10.950 6.898 393 HG22 VAL 47 2HG2 VAL 47 2.624 10.545 8.228 394 HG23 VAL 47 3HG2 VAL 47 3.117 11.720 7.009 395 H MET 48 H MET 48 1.779 13.236 5.095 396 HA MET 48 HA MET 48 4.309 14.649 4.981 397 HB2 MET 48 2HB MET 48 2.685 13.191 2.857 398 HB3 MET 48 1HB MET 48 4.226 13.982 2.523 399 HG2 MET 48 2HG MET 48 3.821 11.733 4.508 400 HG3 MET 48 1HG MET 48 4.492 11.568 2.881 401 HE1 MET 48 1HE MET 48 5.771 10.843 5.918 402 HE2 MET 48 2HE MET 48 7.468 11.228 5.638 403 HE3 MET 48 3HE MET 48 6.564 10.305 4.436 404 H GLU 49 H GLU 49 0.970 15.520 4.368 405 HA GLU 49 HA GLU 49 1.511 17.911 2.891 406 HB2 GLU 49 2HB GLU 49 -0.823 17.228 4.730 407 HB3 GLU 49 1HB GLU 49 -0.730 18.708 3.778 408 HG2 GLU 49 2HG GLU 49 -0.594 17.300 1.701 409 HG3 GLU 49 1HG GLU 49 -0.856 15.876 2.707 410 H LYS 50 H LYS 50 1.579 17.119 6.324 411 HA LYS 50 HA LYS 50 2.313 19.805 7.150 412 HB2 LYS 50 2HB LYS 50 2.246 17.136 8.626 413 HB3 LYS 50 1HB LYS 50 2.837 18.613 9.376 414 HG2 LYS 50 2HG LYS 50 0.019 18.122 8.363 415 HG3 LYS 50 1HG LYS 50 0.536 18.209 10.049 416 HD2 LYS 50 2HD LYS 50 1.276 20.589 9.612 417 HD3 LYS 50 1HD LYS 50 0.542 20.474 8.014 418 HE2 LYS 50 2HE LYS 50 -0.923 20.210 10.659 419 HE3 LYS 50 1HE LYS 50 -0.910 21.636 9.625 420 HZ1 LYS 50 1HZ LYS 50 -2.078 18.987 9.004 421 HZ2 LYS 50 2HZ LYS 50 -1.929 20.234 7.877 422 HZ3 LYS 50 3HZ LYS 50 -2.905 20.441 9.241 423 H GLN 51 H GLN 51 3.926 16.998 5.931 424 HA GLN 51 HA GLN 51 6.058 16.430 5.450 425 HB2 GLN 51 2HB GLN 51 6.533 19.433 5.721 426 HB3 GLN 51 1HB GLN 51 7.725 18.308 5.080 427 HG2 GLN 51 2HG GLN 51 6.167 17.735 3.234 428 HG3 GLN 51 1HG GLN 51 5.006 18.901 3.873 429 HE21 GLN 51 1HE2 GLN 51 5.059 20.046 1.895 430 HE22 GLN 51 2HE2 GLN 51 6.392 21.056 1.462 431 H THR 52 H THR 52 5.232 16.124 8.104 432 HA THR 52 HA THR 52 5.831 15.733 10.228 433 HB THR 52 HB THR 52 8.688 16.004 9.191 434 HG1 THR 52 HG1 THR 52 7.753 14.214 8.318 435 HG21 THR 52 1HG2 THR 52 9.414 14.836 11.246 436 HG22 THR 52 2HG2 THR 52 7.768 14.896 11.874 437 HG23 THR 52 3HG2 THR 52 8.677 16.391 11.641 438 HA PRO 53 HA PRO 53 5.715 20.135 11.719 439 HB2 PRO 53 2HB PRO 53 5.124 18.360 14.118 440 HB3 PRO 53 1HB PRO 53 4.397 19.924 13.672 441 HG2 PRO 53 2HG PRO 53 3.062 17.715 13.168 442 HG3 PRO 53 1HG PRO 53 3.126 18.996 11.931 443 HD2 PRO 53 2HD PRO 53 4.601 16.383 12.018 444 HD3 PRO 53 1HD PRO 53 3.927 17.252 10.624 445 HA PRO 54 HA PRO 54 9.897 20.091 13.564 446 HB2 PRO 54 2HB PRO 54 9.330 22.875 14.485 447 HB3 PRO 54 1HB PRO 54 10.553 22.295 13.334 448 HG2 PRO 54 2HG PRO 54 8.422 23.710 12.516 449 HG3 PRO 54 1HG PRO 54 9.123 22.414 11.519 450 HD2 PRO 54 2HD PRO 54 6.673 22.317 13.285 451 HD3 PRO 54 1HD PRO 54 6.899 21.692 11.632 452 H GLY 55 H GLY 55 6.964 20.909 15.279 453 HA2 GLY 55 2HA GLY 55 8.126 21.022 17.933 454 HA3 GLY 55 1HA GLY 55 6.426 21.117 17.511 455 H ILE 56 H ILE 56 9.005 18.689 17.173 456 HA ILE 56 HA ILE 56 7.278 16.611 18.400 457 HB ILE 56 HB ILE 56 9.535 16.244 16.354 458 HG12 ILE 56 2HG1 ILE 56 7.629 17.218 15.212 459 HG13 ILE 56 1HG1 ILE 56 7.717 15.523 14.762 460 HG21 ILE 56 1HG2 ILE 56 8.844 13.874 16.246 461 HG22 ILE 56 2HG2 ILE 56 7.664 14.154 17.526 462 HG23 ILE 56 3HG2 ILE 56 9.387 14.320 17.865 463 HD11 ILE 56 1HD1 ILE 56 5.785 16.790 16.697 464 HD12 ILE 56 2HD1 ILE 56 5.896 15.056 16.381 465 HD13 ILE 56 3HD1 ILE 56 5.436 16.160 15.086 466 H THR 57 H THR 57 7.999 16.252 20.438 467 HA THR 57 HA THR 57 10.693 16.868 21.296 468 HB THR 57 HB THR 57 8.719 17.211 22.803 469 HG1 THR 57 HG1 THR 57 10.422 17.091 24.071 470 HG21 THR 57 1HG2 THR 57 7.398 15.199 22.244 471 HG22 THR 57 2HG2 THR 57 7.706 15.299 23.977 472 HG23 THR 57 3HG2 THR 57 8.632 14.173 22.981 473 H ARG 58 H ARG 58 11.753 15.040 22.781 474 HA ARG 58 HA ARG 58 12.724 13.064 20.996 475 HB2 ARG 58 2HB ARG 58 14.185 12.330 22.759 476 HB3 ARG 58 1HB ARG 58 14.054 14.070 22.916 477 HG2 ARG 58 2HG ARG 58 12.568 12.054 24.640 478 HG3 ARG 58 1HG ARG 58 14.057 12.872 25.102 479 HD2 ARG 58 2HD ARG 58 12.899 15.041 25.063 480 HD3 ARG 58 1HD ARG 58 11.414 14.256 24.515 481 HE ARG 58 HE ARG 58 12.562 13.370 27.062 482 HH11 ARG 58 1HH1 ARG 58 10.034 15.269 25.478 483 HH12 ARG 58 2HH1 ARG 58 9.058 15.356 26.909 484 HH21 ARG 58 1HH2 ARG 58 11.278 13.534 28.915 485 HH22 ARG 58 2HH2 ARG 58 9.760 14.379 28.849 486 H SER 59 H SER 59 10.211 12.992 23.430 487 HA SER 59 HA SER 59 10.006 10.149 23.678 488 HB2 SER 59 2HB SER 59 9.229 11.685 25.453 489 HB3 SER 59 1HB SER 59 7.991 12.324 24.372 490 HG SER 59 HG SER 59 8.120 9.555 24.888 491 H ILE 60 H ILE 60 8.177 12.635 21.870 492 HA ILE 60 HA ILE 60 6.348 10.863 20.589 493 HB ILE 60 HB ILE 60 7.182 13.715 19.867 494 HG12 ILE 60 2HG1 ILE 60 4.706 12.663 21.321 495 HG13 ILE 60 1HG1 ILE 60 6.087 13.428 22.095 496 HG21 ILE 60 1HG2 ILE 60 6.261 12.627 17.853 497 HG22 ILE 60 2HG2 ILE 60 5.145 13.847 18.462 498 HG23 ILE 60 3HG2 ILE 60 4.823 12.136 18.754 499 HD11 ILE 60 1HD1 ILE 60 5.580 15.505 20.893 500 HD12 ILE 60 2HD1 ILE 60 4.262 14.966 21.930 501 HD13 ILE 60 3HD1 ILE 60 4.161 14.731 20.186 502 H GLN 61 H GLN 61 9.499 12.185 19.682 503 HA GLN 61 HA GLN 61 9.700 11.230 17.035 504 HB2 GLN 61 2HB GLN 61 11.274 12.898 17.967 505 HB3 GLN 61 1HB GLN 61 11.897 11.708 19.104 506 HG2 GLN 61 2HG GLN 61 12.715 10.355 17.152 507 HG3 GLN 61 1HG GLN 61 12.198 11.658 16.083 508 HE21 GLN 61 1HE2 GLN 61 13.373 13.621 16.104 509 HE22 GLN 61 2HE2 GLN 61 14.949 13.739 16.798 510 H ASP 62 H ASP 62 10.617 9.818 20.165 511 HA ASP 62 HA ASP 62 11.725 7.386 19.285 512 HB2 ASP 62 2HB ASP 62 12.042 8.212 21.572 513 HB3 ASP 62 1HB ASP 62 10.318 8.091 21.901 514 H MET 63 H MET 63 8.392 8.236 20.238 515 HA MET 63 HA MET 63 7.156 5.737 20.018 516 HB2 MET 63 2HB MET 63 5.901 8.423 19.303 517 HB3 MET 63 1HB MET 63 5.017 6.934 19.581 518 HG2 MET 63 2HG MET 63 5.911 6.999 21.949 519 HG3 MET 63 1HG MET 63 6.462 8.635 21.594 520 HE1 MET 63 1HE MET 63 2.817 10.138 20.480 521 HE2 MET 63 2HE MET 63 3.772 9.128 19.398 522 HE3 MET 63 3HE MET 63 4.552 10.416 20.321 523 H VAL 64 H VAL 64 7.124 8.381 17.610 524 HA VAL 64 HA VAL 64 5.937 6.767 15.620 525 HB VAL 64 HB VAL 64 6.115 8.604 14.082 526 HG11 VAL 64 1HG1 VAL 64 4.306 8.667 15.747 527 HG12 VAL 64 2HG1 VAL 64 4.805 10.292 15.277 528 HG13 VAL 64 3HG1 VAL 64 5.322 9.627 16.833 529 HG21 VAL 64 1HG2 VAL 64 7.267 10.728 14.628 530 HG22 VAL 64 2HG2 VAL 64 8.397 9.376 14.568 531 HG23 VAL 64 3HG2 VAL 64 7.872 10.014 16.127 532 H ALA 65 H ALA 65 9.312 7.353 16.373 533 HA ALA 65 HA ALA 65 10.485 6.354 14.020 534 HB1 ALA 65 1HB ALA 65 12.374 5.634 15.441 535 HB2 ALA 65 2HB ALA 65 11.385 5.870 16.886 536 HB3 ALA 65 3HB ALA 65 11.828 7.252 15.882 537 H GLY 66 H GLY 66 9.211 4.655 16.903 538 HA2 GLY 66 2HA GLY 66 9.332 2.001 15.943 539 HA3 GLY 66 1HA GLY 66 8.195 2.611 17.135 540 H TYR 67 H TYR 67 6.730 4.459 15.537 541 HA TYR 67 HA TYR 67 4.738 2.783 14.442 542 HB2 TYR 67 2HB TYR 67 5.163 5.771 13.985 543 HB3 TYR 67 1HB TYR 67 3.739 4.898 13.438 544 HD1 TYR 67 HD1 TYR 67 5.286 4.334 16.773 545 HD2 TYR 67 HD2 TYR 67 2.169 6.280 14.677 546 HE1 TYR 67 HE1 TYR 67 4.204 4.911 18.901 547 HE2 TYR 67 HE2 TYR 67 1.083 6.861 16.791 548 HH TYR 67 HH TYR 67 1.022 6.122 19.102 549 H ILE 68 H ILE 68 7.192 4.807 12.834 550 HA ILE 68 HA ILE 68 6.398 4.228 10.160 551 HB ILE 68 HB ILE 68 9.194 5.187 10.983 552 HG12 ILE 68 2HG1 ILE 68 6.802 6.957 10.297 553 HG13 ILE 68 1HG1 ILE 68 7.398 6.707 11.921 554 HG21 ILE 68 1HG2 ILE 68 9.241 6.155 8.688 555 HG22 ILE 68 2HG2 ILE 68 7.633 5.497 8.379 556 HG23 ILE 68 3HG2 ILE 68 8.993 4.408 8.647 557 HD11 ILE 68 1HD1 ILE 68 9.521 7.766 11.309 558 HD12 ILE 68 2HD1 ILE 68 8.142 8.830 11.026 559 HD13 ILE 68 3HD1 ILE 68 8.917 8.016 9.668 560 H LYS 69 H LYS 69 8.841 2.904 12.392 561 HA LYS 69 HA LYS 69 10.197 1.209 10.603 562 HB2 LYS 69 2HB LYS 69 11.033 1.840 12.849 563 HB3 LYS 69 1HB LYS 69 9.782 0.857 13.602 564 HG2 LYS 69 2HG LYS 69 10.817 -1.179 12.920 565 HG3 LYS 69 1HG LYS 69 11.837 -0.358 11.735 566 HD2 LYS 69 2HD LYS 69 13.150 -1.058 13.703 567 HD3 LYS 69 1HD LYS 69 13.137 0.698 13.543 568 HE2 LYS 69 2HE LYS 69 12.865 0.144 15.873 569 HE3 LYS 69 1HE LYS 69 11.326 0.772 15.291 570 HZ1 LYS 69 1HZ LYS 69 10.558 -1.537 15.067 571 HZ2 LYS 69 2HZ LYS 69 10.973 -1.152 16.658 572 HZ3 LYS 69 3HZ LYS 69 12.019 -2.086 15.715 573 H GLN 70 H GLN 70 7.285 0.624 12.580 574 HA GLN 70 HA GLN 70 6.766 -2.072 11.926 575 HB2 GLN 70 2HB GLN 70 4.801 0.202 12.471 576 HB3 GLN 70 1HB GLN 70 4.339 -1.494 12.378 577 HG2 GLN 70 2HG GLN 70 5.673 -2.000 14.355 578 HG3 GLN 70 1HG GLN 70 6.250 -0.337 14.424 579 HE21 GLN 70 1HE2 GLN 70 3.512 -2.439 14.948 580 HE22 GLN 70 2HE2 GLN 70 2.571 -1.316 15.862 581 H THR 71 H THR 71 5.600 0.952 10.421 582 HA THR 71 HA THR 71 4.010 -0.338 8.478 583 HB THR 71 HB THR 71 3.796 2.093 9.401 584 HG1 THR 71 HG1 THR 71 3.378 1.412 6.668 585 HG21 THR 71 1HG2 THR 71 4.655 3.877 7.959 586 HG22 THR 71 2HG2 THR 71 5.525 2.703 6.971 587 HG23 THR 71 3HG2 THR 71 6.000 2.970 8.648 588 H LEU 72 H LEU 72 7.376 0.599 8.472 589 HA LEU 72 HA LEU 72 7.855 0.497 5.652 590 HB2 LEU 72 2HB LEU 72 9.733 0.226 8.039 591 HB3 LEU 72 1HB LEU 72 10.300 0.211 6.375 592 HG LEU 72 HG LEU 72 8.875 2.531 7.718 593 HD11 LEU 72 1HD1 LEU 72 11.127 2.235 8.612 594 HD12 LEU 72 2HD1 LEU 72 11.031 3.689 7.624 595 HD13 LEU 72 3HD1 LEU 72 11.802 2.237 6.978 596 HD21 LEU 72 1HD2 LEU 72 10.034 2.311 4.926 597 HD22 LEU 72 2HD2 LEU 72 9.432 3.791 5.674 598 HD23 LEU 72 3HD2 LEU 72 8.328 2.459 5.358 599 H ASP 73 H ASP 73 8.359 -1.766 8.336 600 HA ASP 73 HA ASP 73 9.375 -3.982 6.979 601 HB2 ASP 73 2HB ASP 73 9.273 -3.846 9.445 602 HB3 ASP 73 1HB ASP 73 7.514 -3.892 9.406 603 H ASN 74 H ASN 74 6.020 -3.123 7.700 604 HA ASN 74 HA ASN 74 4.838 -5.463 6.617 605 HB2 ASN 74 2HB ASN 74 3.536 -2.783 7.248 606 HB3 ASN 74 1HB ASN 74 2.697 -4.315 7.030 607 HD21 ASN 74 1HD2 ASN 74 4.835 -5.802 8.605 608 HD22 ASN 74 2HD2 ASN 74 4.511 -5.384 10.244 609 H GLU 75 H GLU 75 5.280 -2.164 5.374 610 HA GLU 75 HA GLU 75 3.802 -2.596 2.943 611 HB2 GLU 75 2HB GLU 75 3.917 -0.413 4.084 612 HB3 GLU 75 1HB GLU 75 5.643 -0.322 3.764 613 HG2 GLU 75 2HG GLU 75 5.281 -0.048 1.416 614 HG3 GLU 75 1HG GLU 75 3.571 -0.458 1.562 615 H GLN 76 H GLN 76 7.134 -2.936 3.906 616 HA GLN 76 HA GLN 76 8.366 -3.311 1.369 617 HB2 GLN 76 2HB GLN 76 9.708 -3.064 3.405 618 HB3 GLN 76 1HB GLN 76 8.980 -4.498 4.111 619 HG2 GLN 76 2HG GLN 76 10.068 -5.843 2.253 620 HG3 GLN 76 1HG GLN 76 10.931 -4.377 1.792 621 HE21 GLN 76 1HE2 GLN 76 10.223 -5.364 5.135 622 HE22 GLN 76 2HE2 GLN 76 11.865 -5.649 5.581 623 H LEU 77 H LEU 77 6.774 -5.524 3.650 624 HA LEU 77 HA LEU 77 7.049 -7.873 2.040 625 HB2 LEU 77 2HB LEU 77 5.191 -7.301 4.371 626 HB3 LEU 77 1HB LEU 77 5.440 -8.887 3.659 627 HG LEU 77 HG LEU 77 7.547 -7.251 5.129 628 HD11 LEU 77 1HD1 LEU 77 7.385 -8.968 6.878 629 HD12 LEU 77 2HD1 LEU 77 6.080 -9.763 5.996 630 HD13 LEU 77 3HD1 LEU 77 5.849 -8.138 6.644 631 HD21 LEU 77 1HD2 LEU 77 8.988 -9.244 4.943 632 HD22 LEU 77 2HD2 LEU 77 8.594 -8.576 3.362 633 HD23 LEU 77 3HD2 LEU 77 7.775 -10.034 3.931 634 H LEU 78 H LEU 78 4.601 -5.334 2.257 635 HA LEU 78 HA LEU 78 2.614 -6.554 0.614 636 HB2 LEU 78 2HB LEU 78 3.325 -3.617 1.004 637 HB3 LEU 78 1HB LEU 78 1.926 -4.167 0.094 638 HG LEU 78 HG LEU 78 2.356 -4.680 3.058 639 HD11 LEU 78 1HD1 LEU 78 2.054 -2.279 2.531 640 HD12 LEU 78 2HD1 LEU 78 0.718 -2.941 3.461 641 HD13 LEU 78 3HD1 LEU 78 0.524 -2.654 1.729 642 HD21 LEU 78 1HD2 LEU 78 -0.076 -5.190 1.300 643 HD22 LEU 78 2HD2 LEU 78 -0.004 -5.405 3.051 644 HD23 LEU 78 3HD2 LEU 78 0.982 -6.418 2.002 645 H LYS 79 H LYS 79 5.447 -4.517 -0.055 646 HA LYS 79 HA LYS 79 5.160 -4.186 -2.807 647 HB2 LYS 79 2HB LYS 79 6.781 -2.898 -1.493 648 HB3 LYS 79 1HB LYS 79 7.710 -4.354 -1.145 649 HG2 LYS 79 2HG LYS 79 8.339 -4.564 -3.497 650 HG3 LYS 79 1HG LYS 79 7.316 -3.187 -3.922 651 HD2 LYS 79 2HD LYS 79 8.740 -1.686 -2.592 652 HD3 LYS 79 1HD LYS 79 9.729 -3.057 -2.072 653 HE2 LYS 79 2HE LYS 79 10.798 -1.755 -3.886 654 HE3 LYS 79 1HE LYS 79 10.485 -3.423 -4.369 655 HZ1 LYS 79 1HZ LYS 79 8.787 -1.091 -5.072 656 HZ2 LYS 79 2HZ LYS 79 8.542 -2.685 -5.573 657 HZ3 LYS 79 3HZ LYS 79 9.901 -1.832 -6.104 658 H GLY 80 H GLY 80 6.980 -6.725 -1.042 659 HA2 GLY 80 2HA GLY 80 7.824 -8.209 -3.304 660 HA3 GLY 80 1HA GLY 80 7.736 -8.802 -1.654 661 H LEU 81 H LEU 81 5.164 -8.845 -1.018 662 HA LEU 81 HA LEU 81 4.305 -11.274 -2.179 663 HB2 LEU 81 2HB LEU 81 3.960 -10.577 0.186 664 HB3 LEU 81 1HB LEU 81 2.785 -9.390 -0.328 665 HG LEU 81 HG LEU 81 2.349 -12.383 -0.771 666 HD11 LEU 81 1HD1 LEU 81 1.020 -12.431 1.281 667 HD12 LEU 81 2HD1 LEU 81 1.445 -10.751 1.625 668 HD13 LEU 81 3HD1 LEU 81 2.693 -12.000 1.629 669 HD21 LEU 81 1HD2 LEU 81 -0.058 -11.773 -0.804 670 HD22 LEU 81 2HD2 LEU 81 0.837 -10.980 -2.092 671 HD23 LEU 81 3HD2 LEU 81 0.375 -10.066 -0.654 672 H LEU 82 H LEU 82 2.849 -7.998 -2.316 673 HA LEU 82 HA LEU 82 0.727 -8.771 -4.044 674 HB2 LEU 82 2HB LEU 82 1.788 -5.970 -3.522 675 HB3 LEU 82 1HB LEU 82 0.269 -6.348 -4.314 676 HG LEU 82 HG LEU 82 0.947 -6.918 -1.399 677 HD11 LEU 82 1HD1 LEU 82 0.594 -4.534 -1.811 678 HD12 LEU 82 2HD1 LEU 82 -0.734 -5.202 -0.869 679 HD13 LEU 82 3HD1 LEU 82 -0.956 -4.869 -2.589 680 HD21 LEU 82 1HD2 LEU 82 -1.395 -7.622 -1.152 681 HD22 LEU 82 2HD2 LEU 82 -0.526 -8.658 -2.278 682 HD23 LEU 82 3HD2 LEU 82 -1.643 -7.437 -2.892 683 H GLN 83 H GLN 83 4.048 -7.571 -4.693 684 HA GLN 83 HA GLN 83 3.741 -7.076 -7.463 685 HB2 GLN 83 2HB GLN 83 5.799 -6.461 -6.260 686 HB3 GLN 83 1HB GLN 83 6.181 -8.157 -5.993 687 HG2 GLN 83 2HG GLN 83 6.428 -8.461 -8.453 688 HG3 GLN 83 1HG GLN 83 6.095 -6.746 -8.678 689 HE21 GLN 83 1HE2 GLN 83 8.068 -8.019 -6.030 690 HE22 GLN 83 2HE2 GLN 83 9.558 -7.375 -6.607 691 H GLN 84 H GLN 84 4.492 -10.075 -5.698 692 HA GLN 84 HA GLN 84 4.696 -11.846 -7.880 693 HB2 GLN 84 2HB GLN 84 3.687 -12.368 -5.052 694 HB3 GLN 84 1HB GLN 84 4.087 -13.629 -6.211 695 HG2 GLN 84 2HG GLN 84 6.440 -12.845 -6.242 696 HG3 GLN 84 1HG GLN 84 6.028 -11.602 -5.062 697 HE21 GLN 84 1HE2 GLN 84 4.791 -14.932 -4.998 698 HE22 GLN 84 2HE2 GLN 84 5.614 -15.390 -3.553 699 H ARG 85 H ARG 85 1.855 -10.893 -5.929 700 HA ARG 85 HA ARG 85 -0.080 -12.505 -7.155 701 HB2 ARG 85 2HB ARG 85 -0.431 -9.776 -5.854 702 HB3 ARG 85 1HB ARG 85 -1.752 -10.862 -6.257 703 HG2 ARG 85 2HG ARG 85 0.451 -11.459 -4.261 704 HG3 ARG 85 1HG ARG 85 -1.172 -10.899 -3.860 705 HD2 ARG 85 2HD ARG 85 -1.241 -13.227 -3.488 706 HD3 ARG 85 1HD ARG 85 -2.024 -13.018 -5.049 707 HE ARG 85 HE ARG 85 -0.055 -13.886 -6.113 708 HH11 ARG 85 1HH1 ARG 85 -0.073 -14.322 -2.625 709 HH12 ARG 85 2HH1 ARG 85 1.096 -15.603 -2.663 710 HH21 ARG 85 1HH2 ARG 85 1.485 -15.547 -6.146 711 HH22 ARG 85 2HH2 ARG 85 1.976 -16.296 -4.661 712 H LEU 86 H LEU 86 0.884 -9.165 -7.876 713 HA LEU 86 HA LEU 86 -0.989 -8.632 -9.941 714 HB2 LEU 86 2HB LEU 86 1.653 -7.328 -9.185 715 HB3 LEU 86 1HB LEU 86 0.598 -6.686 -10.436 716 HG LEU 86 HG LEU 86 -0.204 -7.013 -7.522 717 HD11 LEU 86 1HD1 LEU 86 0.614 -4.487 -8.991 718 HD12 LEU 86 2HD1 LEU 86 1.543 -5.315 -7.738 719 HD13 LEU 86 3HD1 LEU 86 -0.006 -4.579 -7.341 720 HD21 LEU 86 1HD2 LEU 86 -2.118 -7.167 -8.990 721 HD22 LEU 86 2HD2 LEU 86 -1.629 -5.707 -9.855 722 HD23 LEU 86 3HD2 LEU 86 -2.139 -5.608 -8.170 723 H ASP 87 H ASP 87 2.269 -9.912 -9.922 724 HA ASP 87 HA ASP 87 2.883 -9.804 -12.676 725 HB2 ASP 87 2HB ASP 87 4.579 -10.249 -10.921 726 HB3 ASP 87 1HB ASP 87 3.806 -11.779 -10.528 727 H GLU 88 H GLU 88 1.397 -12.277 -10.635 728 HA GLU 88 HA GLU 88 0.953 -14.222 -12.678 729 HB2 GLU 88 2HB GLU 88 -0.341 -13.904 -9.939 730 HB3 GLU 88 1HB GLU 88 -0.425 -15.351 -10.945 731 HG2 GLU 88 2HG GLU 88 1.899 -15.803 -10.684 732 HG3 GLU 88 1HG GLU 88 2.220 -14.203 -10.019 733 H LEU 89 H LEU 89 -1.094 -11.707 -11.184 734 HA LEU 89 HA LEU 89 -3.529 -12.346 -12.476 735 HB2 LEU 89 2HB LEU 89 -2.538 -9.685 -11.357 736 HB3 LEU 89 1HB LEU 89 -4.170 -9.936 -11.951 737 HG LEU 89 HG LEU 89 -2.940 -11.381 -9.566 738 HD11 LEU 89 1HD1 LEU 89 -5.023 -9.171 -9.603 739 HD12 LEU 89 2HD1 LEU 89 -3.344 -9.008 -9.082 740 HD13 LEU 89 3HD1 LEU 89 -4.449 -10.038 -8.174 741 HD21 LEU 89 1HD2 LEU 89 -4.578 -12.797 -10.705 742 HD22 LEU 89 2HD2 LEU 89 -5.777 -11.504 -10.643 743 HD23 LEU 89 3HD2 LEU 89 -5.206 -12.254 -9.150 744 H SER 90 H SER 90 -0.825 -10.251 -13.384 745 HA SER 90 HA SER 90 -1.895 -9.225 -15.815 746 HB2 SER 90 2HB SER 90 0.061 -8.214 -14.654 747 HB3 SER 90 1HB SER 90 1.023 -9.648 -15.014 748 HG SER 90 HG SER 90 1.390 -7.969 -16.515 749 H SER 91 H SER 91 -0.072 -12.136 -14.960 750 HA SER 91 HA SER 91 0.384 -13.104 -17.598 751 HB2 SER 91 2HB SER 91 1.686 -13.857 -15.592 752 HB3 SER 91 1HB SER 91 0.253 -14.695 -14.996 753 HG SER 91 HG SER 91 2.087 -15.581 -16.694 754 H LEU 92 H LEU 92 -2.292 -13.396 -15.312 755 HA LEU 92 HA LEU 92 -3.759 -15.431 -16.684 756 HB2 LEU 92 2HB LEU 92 -4.812 -13.309 -14.759 757 HB3 LEU 92 1HB LEU 92 -5.673 -14.751 -15.267 758 HG LEU 92 HG LEU 92 -3.240 -14.604 -13.467 759 HD11 LEU 92 1HD1 LEU 92 -6.035 -15.624 -12.920 760 HD12 LEU 92 2HD1 LEU 92 -5.328 -14.117 -12.332 761 HD13 LEU 92 3HD1 LEU 92 -4.677 -15.661 -11.789 762 HD21 LEU 92 1HD2 LEU 92 -4.504 -17.120 -14.582 763 HD22 LEU 92 2HD2 LEU 92 -3.266 -17.056 -13.325 764 HD23 LEU 92 3HD2 LEU 92 -2.893 -16.500 -14.951 765 H ILE 93 H ILE 93 -4.044 -11.887 -16.528 766 HA ILE 93 HA ILE 93 -6.127 -11.507 -18.395 767 HB ILE 93 HB ILE 93 -3.878 -9.596 -17.574 768 HG12 ILE 93 2HG1 ILE 93 -6.745 -9.723 -16.512 769 HG13 ILE 93 1HG1 ILE 93 -5.360 -10.433 -15.694 770 HG21 ILE 93 1HG2 ILE 93 -6.507 -8.917 -18.955 771 HG22 ILE 93 2HG2 ILE 93 -4.899 -8.815 -19.673 772 HG23 ILE 93 3HG2 ILE 93 -5.337 -7.744 -18.344 773 HD11 ILE 93 1HD1 ILE 93 -5.793 -7.500 -16.239 774 HD12 ILE 93 2HD1 ILE 93 -4.362 -8.194 -15.472 775 HD13 ILE 93 3HD1 ILE 93 -5.936 -8.329 -14.690 776 H GLY 94 H GLY 94 -2.638 -11.815 -18.760 777 HA2 GLY 94 2HA GLY 94 -2.365 -10.953 -21.448 778 HA3 GLY 94 1HA GLY 94 -1.237 -11.969 -20.564 779 H GLN 95 H GLN 95 -3.610 -13.905 -20.135 780 HA GLN 95 HA GLN 95 -3.381 -15.339 -22.707 781 HB2 GLN 95 2HB GLN 95 -4.306 -16.350 -19.977 782 HB3 GLN 95 1HB GLN 95 -4.108 -17.336 -21.420 783 HG2 GLN 95 2HG GLN 95 -1.901 -15.923 -19.901 784 HG3 GLN 95 1HG GLN 95 -2.237 -17.653 -19.885 785 HE21 GLN 95 1HE2 GLN 95 -1.743 -18.878 -21.775 786 HE22 GLN 95 2HE2 GLN 95 -0.630 -18.293 -22.961 787 H VAL 96 H VAL 96 -5.831 -14.437 -20.240 788 HA VAL 96 HA VAL 96 -8.018 -15.579 -21.714 789 HB VAL 96 HB VAL 96 -9.490 -14.782 -19.934 790 HG11 VAL 96 1HG1 VAL 96 -8.221 -16.835 -19.530 791 HG12 VAL 96 2HG1 VAL 96 -8.483 -15.963 -18.021 792 HG13 VAL 96 3HG1 VAL 96 -6.903 -15.908 -18.805 793 HG21 VAL 96 1HG2 VAL 96 -8.679 -13.438 -18.014 794 HG22 VAL 96 2HG2 VAL 96 -8.552 -12.541 -19.526 795 HG23 VAL 96 3HG2 VAL 96 -7.109 -13.251 -18.802 796 H LEU 97 H LEU 97 -6.699 -12.329 -21.393 797 HA LEU 97 HA LEU 97 -8.897 -11.198 -23.014 798 HB2 LEU 97 2HB LEU 97 -7.812 -10.104 -20.832 799 HB3 LEU 97 1HB LEU 97 -6.566 -9.568 -21.939 800 HG LEU 97 HG LEU 97 -9.522 -8.807 -22.005 801 HD11 LEU 97 1HD1 LEU 97 -8.742 -6.532 -21.514 802 HD12 LEU 97 2HD1 LEU 97 -7.076 -7.105 -21.423 803 HD13 LEU 97 3HD1 LEU 97 -8.270 -7.665 -20.249 804 HD21 LEU 97 1HD2 LEU 97 -8.750 -8.957 -24.320 805 HD22 LEU 97 2HD2 LEU 97 -7.377 -7.911 -23.954 806 HD23 LEU 97 3HD2 LEU 97 -9.021 -7.276 -23.861 807 H PHE 98 H PHE 98 -8.580 -11.595 -25.108 808 HA PHE 98 HA PHE 98 -5.957 -11.435 -26.386 809 HB2 PHE 98 2HB PHE 98 -8.728 -11.936 -27.591 810 HB3 PHE 98 1HB PHE 98 -7.198 -12.060 -28.458 811 HD1 PHE 98 HD1 PHE 98 -5.461 -13.767 -27.509 812 HD2 PHE 98 HD2 PHE 98 -9.625 -13.882 -26.547 813 HE1 PHE 98 HE1 PHE 98 -5.244 -16.128 -26.850 814 HE2 PHE 98 HE2 PHE 98 -9.401 -16.245 -25.887 815 HZ PHE 98 HZ PHE 98 -7.213 -17.367 -26.034 816 H GLN 99 H GLN 99 -5.368 -9.321 -26.172 817 HA GLN 99 HA GLN 99 -7.212 -7.125 -26.448 818 HB2 GLN 99 2HB GLN 99 -5.158 -5.717 -25.955 819 HB3 GLN 99 1HB GLN 99 -5.573 -6.909 -24.738 820 HG2 GLN 99 2HG GLN 99 -3.222 -6.998 -24.888 821 HG3 GLN 99 1HG GLN 99 -3.779 -8.415 -25.777 822 HE21 GLN 99 1HE2 GLN 99 -1.901 -8.594 -27.040 823 HE22 GLN 99 2HE2 GLN 99 -1.457 -7.427 -28.239 824 H GLY 100 H GLY 100 -5.440 -8.879 -28.693 825 HA2 GLY 100 2HA GLY 100 -6.142 -7.119 -30.862 826 HA3 GLY 100 1HA GLY 100 -4.404 -7.202 -30.580 827 HA PRO 101 HA PRO 101 -4.169 -10.895 -32.991 828 HB2 PRO 101 2HB PRO 101 -2.183 -12.367 -31.842 829 HB3 PRO 101 1HB PRO 101 -1.862 -10.790 -32.592 830 HG2 PRO 101 2HG PRO 101 -2.221 -11.446 -29.688 831 HG3 PRO 101 1HG PRO 101 -0.999 -10.412 -30.462 832 HD2 PRO 101 2HD PRO 101 -3.240 -9.402 -29.257 833 HD3 PRO 101 1HD PRO 101 -2.440 -8.601 -30.625 834 H SER 102 H SER 102 -4.297 -13.280 -33.047 835 HA SER 102 HA SER 102 -5.328 -15.247 -32.732 836 HB2 SER 102 2HB SER 102 -5.294 -14.551 -29.768 837 HB3 SER 102 1HB SER 102 -5.631 -16.149 -30.441 838 HG SER 102 HG SER 102 -3.427 -15.561 -31.560 839 H ALA 103 H ALA 103 -6.845 -12.618 -32.944 840 HA ALA 103 HA ALA 103 -9.550 -13.745 -32.460 841 HB1 ALA 103 1HB ALA 103 -8.726 -10.815 -32.277 842 HB2 ALA 103 2HB ALA 103 -9.157 -11.859 -30.922 843 HB3 ALA 103 3HB ALA 103 -10.375 -11.435 -32.126 844 H GLY 104 H GLY 104 -10.680 -14.017 -34.294 845 HA2 GLY 104 2HA GLY 104 -9.706 -13.241 -36.878 846 HA3 GLY 104 1HA GLY 104 -11.240 -14.026 -36.529 847 H LEU 105 H LEU 105 -11.468 -11.531 -34.554 848 HA LEU 105 HA LEU 105 -12.387 -9.537 -36.540 849 HB2 LEU 105 2HB LEU 105 -13.978 -8.782 -34.661 850 HB3 LEU 105 1HB LEU 105 -14.349 -10.281 -35.481 851 HG LEU 105 HG LEU 105 -13.322 -11.523 -33.501 852 HD11 LEU 105 1HD1 LEU 105 -12.001 -9.758 -32.468 853 HD12 LEU 105 2HD1 LEU 105 -13.179 -10.402 -31.329 854 HD13 LEU 105 3HD1 LEU 105 -13.465 -8.840 -32.103 855 HD21 LEU 105 1HD2 LEU 105 -15.790 -9.852 -32.949 856 HD22 LEU 105 2HD2 LEU 105 -15.334 -11.338 -32.108 857 HD23 LEU 105 3HD2 LEU 105 -15.735 -11.387 -33.822 858 H VAL 106 H VAL 106 -12.612 -7.291 -35.147 859 HA VAL 106 HA VAL 106 -9.966 -6.676 -34.018 860 HB VAL 106 HB VAL 106 -12.322 -4.834 -34.671 861 HG11 VAL 106 1HG1 VAL 106 -9.464 -4.064 -33.959 862 HG12 VAL 106 2HG1 VAL 106 -10.880 -3.857 -32.928 863 HG13 VAL 106 3HG1 VAL 106 -10.751 -2.950 -34.434 864 HG21 VAL 106 1HG2 VAL 106 -11.411 -5.864 -36.714 865 HG22 VAL 106 2HG2 VAL 106 -9.787 -5.314 -36.294 866 HG23 VAL 106 3HG2 VAL 106 -11.047 -4.137 -36.672 867 HA PRO 107 HA PRO 107 -12.298 -7.282 -30.055 868 HB2 PRO 107 2HB PRO 107 -10.279 -8.213 -28.537 869 HB3 PRO 107 1HB PRO 107 -10.951 -9.215 -29.842 870 HG2 PRO 107 2HG PRO 107 -8.454 -7.547 -29.853 871 HG3 PRO 107 1HG PRO 107 -8.690 -9.209 -30.438 872 HD2 PRO 107 2HD PRO 107 -8.736 -6.982 -32.076 873 HD3 PRO 107 1HD PRO 107 -9.560 -8.509 -32.458 874 H ARG 108 H ARG 108 -9.946 -5.036 -30.981 875 HA ARG 108 HA ARG 108 -9.595 -3.675 -28.453 876 HB2 ARG 108 2HB ARG 108 -7.852 -3.658 -30.300 877 HB3 ARG 108 1HB ARG 108 -8.940 -2.667 -31.265 878 HG2 ARG 108 2HG ARG 108 -8.848 -0.902 -29.510 879 HG3 ARG 108 1HG ARG 108 -7.709 -1.890 -28.595 880 HD2 ARG 108 2HD ARG 108 -6.486 -0.198 -29.809 881 HD3 ARG 108 1HD ARG 108 -6.122 -1.768 -30.531 882 HE ARG 108 HE ARG 108 -8.206 -0.798 -32.013 883 HH11 ARG 108 1HH1 ARG 108 -4.995 0.413 -31.255 884 HH12 ARG 108 2HH1 ARG 108 -4.843 1.308 -32.732 885 HH21 ARG 108 1HH2 ARG 108 -8.028 0.387 -33.934 886 HH22 ARG 108 2HH2 ARG 108 -6.584 1.291 -34.264 887 H GLY 109 H GLY 109 -11.867 -3.583 -27.991 888 HA2 GLY 109 2HA GLY 109 -13.199 -1.142 -28.992 889 HA3 GLY 109 1HA GLY 109 -14.081 -2.671 -29.014 890 H SER 110 H SER 110 -12.155 -0.621 -26.869 891 HA SER 110 HA SER 110 -12.663 -1.967 -24.468 892 HB2 SER 110 2HB SER 110 -11.881 0.952 -24.832 893 HB3 SER 110 1HB SER 110 -11.559 -0.062 -23.419 894 HG SER 110 HG SER 110 -9.942 -0.975 -24.439 895 H GLY 111 H GLY 111 -14.575 -2.159 -23.457 896 HA2 GLY 111 2HA GLY 111 -16.014 -0.039 -22.337 897 HA3 GLY 111 1HA GLY 111 -16.848 -0.500 -23.820 898 H GLY 112 H GLY 112 -16.645 -3.154 -23.948 899 HA2 GLY 112 2HA GLY 112 -16.953 -4.727 -21.669 900 HA3 GLY 112 1HA GLY 112 -18.556 -4.127 -22.091 901 H ILE 113 H ILE 113 -16.602 -6.722 -22.477 902 HA ILE 113 HA ILE 113 -17.104 -7.349 -25.269 903 HB ILE 113 HB ILE 113 -16.036 -9.237 -23.095 904 HG12 ILE 113 2HG1 ILE 113 -13.737 -8.709 -24.334 905 HG13 ILE 113 1HG1 ILE 113 -14.534 -7.218 -24.807 906 HG21 ILE 113 1HG2 ILE 113 -15.834 -9.405 -26.123 907 HG22 ILE 113 2HG2 ILE 113 -16.854 -10.406 -25.090 908 HG23 ILE 113 3HG2 ILE 113 -15.100 -10.532 -24.981 909 HD11 ILE 113 1HD1 ILE 113 -13.130 -6.904 -22.857 910 HD12 ILE 113 2HD1 ILE 113 -14.022 -8.146 -21.980 911 HD13 ILE 113 3HD1 ILE 113 -14.822 -6.641 -22.438 912 H GLU 114 H GLU 114 -18.610 -8.970 -25.994 913 HA GLU 114 HA GLU 114 -20.942 -9.404 -24.347 914 HB2 GLU 114 2HB GLU 114 -21.879 -10.664 -26.258 915 HB3 GLU 114 1HB GLU 114 -21.277 -9.095 -26.750 916 HG2 GLU 114 2HG GLU 114 -19.708 -11.653 -27.152 917 HG3 GLU 114 1HG GLU 114 -20.842 -11.032 -28.343 918 H GLY 115 H GLY 115 -21.468 -11.146 -23.150 919 HA2 GLY 115 2HA GLY 115 -21.536 -13.457 -22.624 920 HA3 GLY 115 1HA GLY 115 -19.987 -13.691 -23.417 921 H SER 428 H SER 428 -19.988 -14.897 -21.198 922 HA SER 428 HA SER 428 -19.593 -13.426 -18.778 923 HB2 SER 428 2HB SER 428 -20.523 -15.730 -18.829 924 HB3 SER 428 1HB SER 428 -18.969 -16.347 -19.389 925 HG SER 428 HG SER 428 -19.082 -14.833 -17.024 926 H ILE 429 H ILE 429 -17.512 -14.269 -21.366 927 HA ILE 429 HA ILE 429 -14.984 -14.324 -20.233 928 HB ILE 429 HB ILE 429 -15.272 -14.781 -22.570 929 HG12 ILE 429 2HG1 ILE 429 -13.053 -13.573 -21.793 930 HG13 ILE 429 1HG1 ILE 429 -13.337 -13.856 -23.499 931 HG21 ILE 429 1HG2 ILE 429 -15.876 -13.103 -24.271 932 HG22 ILE 429 2HG2 ILE 429 -16.166 -11.923 -22.991 933 HG23 ILE 429 3HG2 ILE 429 -17.163 -13.376 -23.094 934 HD11 ILE 429 1HD1 ILE 429 -13.946 -11.511 -23.807 935 HD12 ILE 429 2HD1 ILE 429 -12.351 -11.667 -23.077 936 HD13 ILE 429 3HD1 ILE 429 -13.731 -11.212 -22.080 937 H ASP 430 H ASP 430 -17.018 -11.505 -20.995 938 HA ASP 430 HA ASP 430 -15.230 -9.440 -20.357 939 HB2 ASP 430 2HB ASP 430 -17.335 -9.003 -21.511 940 HB3 ASP 430 1HB ASP 430 -18.265 -9.536 -20.117 941 H GLU 431 H GLU 431 -17.471 -11.284 -18.332 942 HA GLU 431 HA GLU 431 -17.311 -9.739 -15.982 943 HB2 GLU 431 2HB GLU 431 -17.927 -12.716 -16.225 944 HB3 GLU 431 1HB GLU 431 -18.313 -11.683 -14.850 945 HG2 GLU 431 2HG GLU 431 -19.805 -10.334 -16.355 946 HG3 GLU 431 1HG GLU 431 -19.488 -11.504 -17.637 947 H THR 432 H THR 432 -15.693 -12.835 -16.811 948 HA THR 432 HA THR 432 -14.178 -13.025 -14.445 949 HB THR 432 HB THR 432 -14.579 -15.033 -15.770 950 HG1 THR 432 HG1 THR 432 -12.663 -14.941 -14.476 951 HG21 THR 432 1HG2 THR 432 -14.469 -14.110 -18.055 952 HG22 THR 432 2HG2 THR 432 -13.394 -15.498 -17.882 953 HG23 THR 432 3HG2 THR 432 -12.728 -13.862 -17.882 954 H VAL 433 H VAL 433 -13.295 -11.730 -17.673 955 HA VAL 433 HA VAL 433 -10.629 -11.030 -17.122 956 HB VAL 433 HB VAL 433 -12.644 -9.823 -19.070 957 HG11 VAL 433 1HG1 VAL 433 -10.775 -8.634 -20.187 958 HG12 VAL 433 2HG1 VAL 433 -9.690 -9.110 -18.880 959 HG13 VAL 433 3HG1 VAL 433 -11.047 -8.032 -18.552 960 HG21 VAL 433 1HG2 VAL 433 -10.230 -11.617 -19.547 961 HG22 VAL 433 2HG2 VAL 433 -11.318 -11.001 -20.793 962 HG23 VAL 433 3HG2 VAL 433 -11.920 -12.125 -19.576 963 H ALA 434 H ALA 434 -13.673 -9.253 -16.607 964 HA ALA 434 HA ALA 434 -12.561 -6.802 -15.734 965 HB1 ALA 434 1HB ALA 434 -14.821 -6.288 -14.901 966 HB2 ALA 434 2HB ALA 434 -15.289 -7.981 -15.094 967 HB3 ALA 434 3HB ALA 434 -14.889 -7.008 -16.510 968 H ARG 435 H ARG 435 -13.237 -9.829 -14.015 969 HA ARG 435 HA ARG 435 -13.077 -8.769 -11.352 970 HB2 ARG 435 2HB ARG 435 -12.547 -11.657 -12.207 971 HB3 ARG 435 1HB ARG 435 -12.921 -11.099 -10.580 972 HG2 ARG 435 2HG ARG 435 -14.767 -11.155 -12.970 973 HG3 ARG 435 1HG ARG 435 -14.884 -12.133 -11.514 974 HD2 ARG 435 2HD ARG 435 -15.617 -10.294 -10.204 975 HD3 ARG 435 1HD ARG 435 -15.080 -9.111 -11.400 976 HE ARG 435 HE ARG 435 -17.221 -10.953 -12.172 977 HH11 ARG 435 1HH1 ARG 435 -16.350 -7.669 -11.186 978 HH12 ARG 435 2HH1 ARG 435 -17.849 -6.987 -11.733 979 HH21 ARG 435 1HH2 ARG 435 -19.148 -10.015 -12.906 980 HH22 ARG 435 2HH2 ARG 435 -19.422 -8.315 -12.704 981 H TYR 436 H TYR 436 -10.755 -10.551 -13.416 982 HA TYR 436 HA TYR 436 -8.590 -10.331 -11.524 983 HB2 TYR 436 2HB TYR 436 -8.602 -11.190 -14.448 984 HB3 TYR 436 1HB TYR 436 -7.192 -11.294 -13.390 985 HD1 TYR 436 HD1 TYR 436 -7.395 -12.728 -11.244 986 HD2 TYR 436 HD2 TYR 436 -10.205 -12.965 -14.454 987 HE1 TYR 436 HE1 TYR 436 -8.181 -14.905 -10.405 988 HE2 TYR 436 HE2 TYR 436 -10.986 -15.137 -13.620 989 HH TYR 436 HH TYR 436 -10.204 -16.973 -12.221 990 H LYS 437 H LYS 437 -9.743 -8.371 -14.155 991 HA LYS 437 HA LYS 437 -7.403 -6.724 -14.480 992 HB2 LYS 437 2HB LYS 437 -8.991 -6.911 -16.325 993 HB3 LYS 437 1HB LYS 437 -10.311 -6.322 -15.321 994 HG2 LYS 437 2HG LYS 437 -9.288 -4.102 -15.225 995 HG3 LYS 437 1HG LYS 437 -7.895 -4.677 -16.142 996 HD2 LYS 437 2HD LYS 437 -9.287 -5.053 -18.117 997 HD3 LYS 437 1HD LYS 437 -10.749 -4.649 -17.206 998 HE2 LYS 437 2HE LYS 437 -9.984 -2.778 -18.648 999 HE3 LYS 437 1HE LYS 437 -9.987 -2.343 -16.937 1000 HZ1 LYS 437 1HZ LYS 437 -7.601 -3.132 -18.527 1001 HZ2 LYS 437 2HZ LYS 437 -7.597 -2.741 -16.884 1002 HZ3 LYS 437 3HZ LYS 437 -7.991 -1.565 -18.027 1003 H ALA 438 H ALA 438 -10.447 -6.500 -12.651 1004 HA ALA 438 HA ALA 438 -10.002 -3.949 -11.497 1005 HB1 ALA 438 1HB ALA 438 -12.218 -5.006 -11.465 1006 HB2 ALA 438 2HB ALA 438 -11.700 -4.590 -9.831 1007 HB3 ALA 438 3HB ALA 438 -11.623 -6.267 -10.382 1008 H GLN 439 H GLN 439 -9.431 -7.246 -10.208 1009 HA GLN 439 HA GLN 439 -8.181 -6.625 -7.805 1010 HB2 GLN 439 2HB GLN 439 -7.832 -9.000 -9.676 1011 HB3 GLN 439 1HB GLN 439 -7.048 -8.927 -8.102 1012 HG2 GLN 439 2HG GLN 439 -10.036 -8.878 -8.604 1013 HG3 GLN 439 1HG GLN 439 -9.101 -10.244 -7.994 1014 HE21 GLN 439 1HE2 GLN 439 -10.455 -7.131 -7.223 1015 HE22 GLN 439 2HE2 GLN 439 -10.174 -7.199 -5.522 1016 H PHE 440 H PHE 440 -6.770 -7.002 -11.024 1017 HA PHE 440 HA PHE 440 -4.061 -6.678 -10.388 1018 HB2 PHE 440 2HB PHE 440 -4.835 -7.485 -12.594 1019 HB3 PHE 440 1HB PHE 440 -5.542 -5.911 -12.943 1020 HD1 PHE 440 HD1 PHE 440 -2.261 -7.529 -12.115 1021 HD2 PHE 440 HD2 PHE 440 -4.237 -4.316 -14.139 1022 HE1 PHE 440 HE1 PHE 440 -0.127 -6.822 -13.097 1023 HE2 PHE 440 HE2 PHE 440 -2.090 -3.624 -15.121 1024 HZ PHE 440 HZ PHE 440 -0.034 -4.874 -14.597 1025 H THR 441 H THR 441 -6.351 -4.223 -11.669 1026 HA THR 441 HA THR 441 -4.560 -2.054 -11.582 1027 HB THR 441 HB THR 441 -7.611 -2.044 -11.686 1028 HG1 THR 441 HG1 THR 441 -6.579 -3.170 -13.405 1029 HG21 THR 441 1HG2 THR 441 -5.655 0.170 -12.457 1030 HG22 THR 441 2HG2 THR 441 -6.774 0.212 -11.093 1031 HG23 THR 441 3HG2 THR 441 -7.398 0.193 -12.741 1032 H GLN 442 H GLN 442 -6.832 -3.251 -9.178 1033 HA GLN 442 HA GLN 442 -6.846 -0.981 -7.438 1034 HB2 GLN 442 2HB GLN 442 -7.640 -3.893 -7.038 1035 HB3 GLN 442 1HB GLN 442 -7.805 -2.688 -5.764 1036 HG2 GLN 442 2HG GLN 442 -9.396 -1.423 -7.063 1037 HG3 GLN 442 1HG GLN 442 -9.126 -2.432 -8.480 1038 HE21 GLN 442 1HE2 GLN 442 -9.170 -4.970 -7.057 1039 HE22 GLN 442 2HE2 GLN 442 -10.805 -5.238 -6.572 1040 H LEU 443 H LEU 443 -5.177 -4.160 -7.232 1041 HA LEU 443 HA LEU 443 -3.573 -3.354 -4.974 1042 HB2 LEU 443 2HB LEU 443 -3.510 -5.772 -6.801 1043 HB3 LEU 443 1HB LEU 443 -2.258 -5.508 -5.604 1044 HG LEU 443 HG LEU 443 -3.916 -5.672 -3.778 1045 HD11 LEU 443 1HD1 LEU 443 -6.220 -6.405 -4.142 1046 HD12 LEU 443 2HD1 LEU 443 -6.006 -6.274 -5.891 1047 HD13 LEU 443 3HD1 LEU 443 -5.932 -4.829 -4.880 1048 HD21 LEU 443 1HD2 LEU 443 -3.991 -8.028 -5.692 1049 HD22 LEU 443 2HD2 LEU 443 -4.374 -8.088 -3.970 1050 HD23 LEU 443 3HD2 LEU 443 -2.742 -7.686 -4.491 1051 H ASP 444 H ASP 444 -3.342 -2.891 -8.369 1052 HA ASP 444 HA ASP 444 -0.487 -2.571 -8.618 1053 HB2 ASP 444 2HB ASP 444 -1.841 -3.197 -10.578 1054 HB3 ASP 444 1HB ASP 444 -2.764 -1.706 -10.460 1055 H THR 445 H THR 445 -3.272 -0.315 -8.449 1056 HA THR 445 HA THR 445 -1.685 2.048 -8.387 1057 HB THR 445 HB THR 445 -4.031 2.253 -9.040 1058 HG1 THR 445 HG1 THR 445 -3.559 3.626 -6.575 1059 HG21 THR 445 1HG2 THR 445 -5.886 2.098 -7.441 1060 HG22 THR 445 2HG2 THR 445 -4.776 1.566 -6.177 1061 HG23 THR 445 3HG2 THR 445 -5.064 0.542 -7.583 1062 H MET 446 H MET 446 -2.955 -0.142 -5.909 1063 HA MET 446 HA MET 446 -2.109 1.233 -3.616 1064 HB2 MET 446 2HB MET 446 -3.505 -0.875 -3.576 1065 HB3 MET 446 1HB MET 446 -2.066 -1.800 -3.994 1066 HG2 MET 446 2HG MET 446 -0.981 -1.013 -1.910 1067 HG3 MET 446 1HG MET 446 -2.449 -0.128 -1.494 1068 HE1 MET 446 1HE MET 446 -2.493 -1.263 0.873 1069 HE2 MET 446 2HE MET 446 -1.014 -2.147 0.486 1070 HE3 MET 446 3HE MET 446 -2.412 -3.003 1.130 1071 H MET 447 H MET 447 -0.405 -0.999 -5.801 1072 HA MET 447 HA MET 447 1.998 -1.221 -4.328 1073 HB2 MET 447 2HB MET 447 1.487 -2.922 -5.954 1074 HB3 MET 447 1HB MET 447 1.430 -1.757 -7.266 1075 HG2 MET 447 2HG MET 447 3.696 -1.834 -7.581 1076 HG3 MET 447 1HG MET 447 4.041 -1.831 -5.854 1077 HE1 MET 447 1HE MET 447 4.030 -3.906 -4.340 1078 HE2 MET 447 2HE MET 447 3.669 -5.543 -4.884 1079 HE3 MET 447 3HE MET 447 2.390 -4.333 -4.840 1080 H SER 448 H SER 448 1.146 0.854 -7.097 1081 HA SER 448 HA SER 448 3.693 2.011 -7.473 1082 HB2 SER 448 2HB SER 448 2.363 3.774 -8.752 1083 HB3 SER 448 1HB SER 448 2.091 2.107 -9.259 1084 HG SER 448 HG SER 448 0.396 3.829 -7.818 1085 H LYS 449 H LYS 449 0.856 3.044 -5.595 1086 HA LYS 449 HA LYS 449 2.007 5.454 -4.597 1087 HB2 LYS 449 2HB LYS 449 -0.340 3.800 -3.602 1088 HB3 LYS 449 1HB LYS 449 0.143 5.330 -2.874 1089 HG2 LYS 449 2HG LYS 449 -0.215 6.446 -5.098 1090 HG3 LYS 449 1HG LYS 449 -0.828 4.911 -5.720 1091 HD2 LYS 449 2HD LYS 449 -2.698 6.364 -5.089 1092 HD3 LYS 449 1HD LYS 449 -2.645 4.958 -4.024 1093 HE2 LYS 449 2HE LYS 449 -1.497 6.354 -2.299 1094 HE3 LYS 449 1HE LYS 449 -1.653 7.754 -3.362 1095 HZ1 LYS 449 1HZ LYS 449 -3.394 7.690 -1.698 1096 HZ2 LYS 449 2HZ LYS 449 -3.910 6.179 -2.243 1097 HZ3 LYS 449 3HZ LYS 449 -4.050 7.532 -3.245 1098 H LEU 450 H LEU 450 1.844 2.107 -3.298 1099 HA LEU 450 HA LEU 450 2.926 2.859 -0.752 1100 HB2 LEU 450 2HB LEU 450 2.845 0.598 -0.057 1101 HB3 LEU 450 1HB LEU 450 1.420 0.877 -1.014 1102 HG LEU 450 HG LEU 450 2.686 -0.358 -2.925 1103 HD11 LEU 450 1HD1 LEU 450 4.947 -0.435 -2.013 1104 HD12 LEU 450 2HD1 LEU 450 4.326 -2.063 -2.252 1105 HD13 LEU 450 3HD1 LEU 450 4.386 -1.373 -0.627 1106 HD21 LEU 450 1HD2 LEU 450 1.917 -2.549 -2.135 1107 HD22 LEU 450 2HD2 LEU 450 0.742 -1.291 -1.767 1108 HD23 LEU 450 3HD2 LEU 450 1.783 -1.922 -0.488 1109 H ASN 451 H ASN 451 4.275 2.036 -3.791 1110 HA ASN 451 HA ASN 451 6.933 1.373 -2.962 1111 HB2 ASN 451 2HB ASN 451 6.077 0.749 -5.199 1112 HB3 ASN 451 1HB ASN 451 5.869 2.443 -5.627 1113 HD21 ASN 451 1HD2 ASN 451 7.695 3.649 -6.229 1114 HD22 ASN 451 2HD2 ASN 451 9.232 2.922 -6.539 1115 H ASN 452 H ASN 452 5.370 4.311 -4.240 1116 HA ASN 452 HA ASN 452 7.468 6.153 -3.979 1117 HB2 ASN 452 2HB ASN 452 5.395 6.650 -5.238 1118 HB3 ASN 452 1HB ASN 452 4.460 6.620 -3.746 1119 HD21 ASN 452 1HD2 ASN 452 3.736 8.741 -3.898 1120 HD22 ASN 452 2HD2 ASN 452 4.772 10.116 -3.764 1121 H THR 453 H THR 453 4.924 5.236 -1.669 1122 HA THR 453 HA THR 453 5.571 7.163 0.294 1123 HB THR 453 HB THR 453 4.147 5.765 1.842 1124 HG1 THR 453 HG1 THR 453 3.821 3.769 1.318 1125 HG21 THR 453 1HG2 THR 453 2.008 6.058 0.633 1126 HG22 THR 453 2HG2 THR 453 2.881 6.285 -0.882 1127 HG23 THR 453 3HG2 THR 453 3.045 7.470 0.412 1128 H SER 454 H SER 454 6.158 3.574 0.320 1129 HA SER 454 HA SER 454 7.673 3.383 2.615 1130 HB2 SER 454 2HB SER 454 8.646 1.294 1.660 1131 HB3 SER 454 1HB SER 454 6.910 1.400 1.380 1132 HG SER 454 HG SER 454 7.374 2.165 -0.721 1133 H SER 455 H SER 455 8.807 4.249 -0.634 1134 HA SER 455 HA SER 455 11.556 4.404 -0.203 1135 HB2 SER 455 2HB SER 455 10.646 4.630 -2.441 1136 HB3 SER 455 1HB SER 455 9.752 6.082 -1.989 1137 HG SER 455 HG SER 455 12.390 5.789 -2.713 1138 H TYR 456 H TYR 456 9.245 7.220 -0.031 1139 HA TYR 456 HA TYR 456 11.284 8.843 1.203 1140 HB2 TYR 456 2HB TYR 456 9.642 10.662 1.324 1141 HB3 TYR 456 1HB TYR 456 9.759 9.964 -0.275 1142 HD1 TYR 456 HD1 TYR 456 7.595 9.367 2.793 1143 HD2 TYR 456 HD2 TYR 456 7.730 10.001 -1.433 1144 HE1 TYR 456 HE1 TYR 456 5.145 9.363 2.708 1145 HE2 TYR 456 HE2 TYR 456 5.273 9.981 -1.509 1146 HH TYR 456 HH TYR 456 3.384 9.140 -0.176 1147 H LEU 457 H LEU 457 8.975 6.696 2.507 1148 HA LEU 457 HA LEU 457 8.669 7.860 5.118 1149 HB2 LEU 457 2HB LEU 457 8.086 5.066 4.048 1150 HB3 LEU 457 1HB LEU 457 7.847 5.483 5.735 1151 HG LEU 457 HG LEU 457 6.340 6.668 3.370 1152 HD11 LEU 457 1HD1 LEU 457 5.647 4.370 3.880 1153 HD12 LEU 457 2HD1 LEU 457 4.379 5.509 4.320 1154 HD13 LEU 457 3HD1 LEU 457 5.395 4.795 5.576 1155 HD21 LEU 457 1HD2 LEU 457 4.982 7.849 5.037 1156 HD22 LEU 457 2HD2 LEU 457 6.664 8.358 5.095 1157 HD23 LEU 457 3HD2 LEU 457 6.036 7.258 6.324 1158 H THR 458 H THR 458 10.764 5.381 3.637 1159 HA THR 458 HA THR 458 12.015 4.675 6.135 1160 HB THR 458 HB THR 458 11.819 3.080 4.159 1161 HG1 THR 458 HG1 THR 458 13.155 2.175 5.510 1162 HG21 THR 458 1HG2 THR 458 12.656 4.531 2.337 1163 HG22 THR 458 2HG2 THR 458 13.615 3.057 2.476 1164 HG23 THR 458 3HG2 THR 458 14.247 4.582 3.102 1165 H GLN 459 H GLN 459 12.740 6.853 3.453 1166 HA GLN 459 HA GLN 459 15.283 7.754 4.395 1167 HB2 GLN 459 2HB GLN 459 13.206 9.151 2.653 1168 HB3 GLN 459 1HB GLN 459 14.856 9.721 2.887 1169 HG2 GLN 459 2HG GLN 459 15.726 7.679 1.823 1170 HG3 GLN 459 1HG GLN 459 14.086 7.070 1.623 1171 HE21 GLN 459 1HE2 GLN 459 12.970 9.677 0.802 1172 HE22 GLN 459 2HE2 GLN 459 13.542 9.942 -0.804 1173 H GLN 460 H GLN 460 11.934 8.770 5.042 1174 HA GLN 460 HA GLN 460 12.577 11.062 6.634 1175 HB2 GLN 460 2HB GLN 460 10.369 10.815 5.534 1176 HB3 GLN 460 1HB GLN 460 10.011 9.415 6.535 1177 HG2 GLN 460 2HG GLN 460 8.839 11.443 7.318 1178 HG3 GLN 460 1HG GLN 460 9.945 10.813 8.541 1179 HE21 GLN 460 1HE2 GLN 460 11.745 12.073 9.139 1180 HE22 GLN 460 2HE2 GLN 460 11.948 13.712 8.636 1181 H PHE 461 H PHE 461 11.937 7.649 7.363 1182 HA PHE 461 HA PHE 461 11.868 7.808 10.189 1183 HB2 PHE 461 2HB PHE 461 11.063 5.773 9.198 1184 HB3 PHE 461 1HB PHE 461 12.539 5.532 8.276 1185 HD1 PHE 461 HD1 PHE 461 11.688 6.009 11.939 1186 HD2 PHE 461 HD2 PHE 461 13.768 3.669 9.017 1187 HE1 PHE 461 HE1 PHE 461 12.570 4.556 13.712 1188 HE2 PHE 461 HE2 PHE 461 14.640 2.223 10.807 1189 HZ PHE 461 HZ PHE 461 14.047 2.669 13.154 1190 H THR 462 H THR 462 14.490 6.940 7.947 1191 HA THR 462 HA THR 462 16.537 6.607 9.822 1192 HB THR 462 HB THR 462 16.751 7.412 6.885 1193 HG1 THR 462 HG1 THR 462 15.682 5.339 7.494 1194 HG21 THR 462 1HG2 THR 462 18.849 6.209 8.732 1195 HG22 THR 462 2HG2 THR 462 18.885 7.834 8.043 1196 HG23 THR 462 3HG2 THR 462 19.031 6.430 6.988 1197 H ALA 463 H ALA 463 15.508 9.492 7.973 1198 HA ALA 463 HA ALA 463 17.569 11.235 8.817 1199 HB1 ALA 463 1HB ALA 463 16.129 13.058 8.002 1200 HB2 ALA 463 2HB ALA 463 14.758 11.947 7.911 1201 HB3 ALA 463 3HB ALA 463 16.156 11.713 6.860 1202 H MET 464 H MET 464 14.245 10.804 10.009 1203 HA MET 464 HA MET 464 14.236 12.772 12.034 1204 HB2 MET 464 2HB MET 464 12.181 11.734 11.064 1205 HB3 MET 464 1HB MET 464 12.581 10.214 11.846 1206 HG2 MET 464 2HG MET 464 12.347 11.367 14.066 1207 HG3 MET 464 1HG MET 464 11.787 12.802 13.207 1208 HE1 MET 464 1HE MET 464 9.496 12.845 11.752 1209 HE2 MET 464 2HE MET 464 8.418 11.459 11.608 1210 HE3 MET 464 3HE MET 464 10.000 11.428 10.827 1211 H ASN 465 H ASN 465 15.340 9.464 11.993 1212 HA ASN 465 HA ASN 465 15.700 9.304 14.890 1213 HB2 ASN 465 2HB ASN 465 14.860 7.382 13.374 1214 HB3 ASN 465 1HB ASN 465 16.513 7.229 12.803 1215 HD21 ASN 465 1HD2 ASN 465 14.909 5.284 14.163 1216 HD22 ASN 465 2HD2 ASN 465 15.722 4.878 15.629 1217 H LYS 466 H LYS 466 17.989 8.347 12.269 1218 HA LYS 466 HA LYS 466 20.053 10.155 13.388 1219 HB2 LYS 466 2HB LYS 466 21.788 8.414 12.810 1220 HB3 LYS 466 1HB LYS 466 20.737 7.978 14.139 1221 HG2 LYS 466 2HG LYS 466 20.079 6.976 11.374 1222 HG3 LYS 466 1HG LYS 466 21.384 6.207 12.269 1223 HD2 LYS 466 2HD LYS 466 18.510 6.463 13.244 1224 HD3 LYS 466 1HD LYS 466 19.212 5.018 12.516 1225 HE2 LYS 466 2HE LYS 466 20.860 4.904 14.377 1226 HE3 LYS 466 1HE LYS 466 20.101 6.316 15.114 1227 HZ1 LYS 466 1HZ LYS 466 19.319 4.286 16.123 1228 HZ2 LYS 466 2HZ LYS 466 18.789 3.690 14.635 1229 HZ3 LYS 466 3HZ LYS 466 18.045 5.048 15.317 1230 H SER 467 H SER 467 19.127 11.618 11.621 1231 HA SER 467 HA SER 467 19.652 11.217 8.890 1232 HB2 SER 467 2HB SER 467 18.343 13.139 9.840 1233 HB3 SER 467 1HB SER 467 19.851 13.860 10.393 1234 HG SER 467 HG SER 467 18.954 13.434 7.747 Start of MODEL 19 1 H1 MET 1 1H MET 1 -0.967 22.335 20.695 2 H2 MET 1 2H MET 1 0.478 22.352 21.575 3 H3 MET 1 3H MET 1 -0.417 20.924 21.439 4 HA MET 1 HA MET 1 0.833 22.354 19.177 5 HB2 MET 1 2HB MET 1 2.476 20.420 19.157 6 HB3 MET 1 1HB MET 1 2.634 21.487 20.540 7 HG2 MET 1 2HG MET 1 1.460 19.855 21.954 8 HG3 MET 1 1HG MET 1 1.257 18.792 20.561 9 HE1 MET 1 1HE MET 1 2.550 17.858 23.343 10 HE2 MET 1 2HE MET 1 3.912 16.903 22.759 11 HE3 MET 1 3HE MET 1 2.345 16.780 21.959 12 H THR 2 H THR 2 -1.233 22.176 18.120 13 HA THR 2 HA THR 2 -2.744 19.785 17.977 14 HB THR 2 HB THR 2 -3.944 21.013 16.029 15 HG1 THR 2 HG1 THR 2 -3.253 22.958 15.474 16 HG21 THR 2 1HG2 THR 2 -4.798 21.081 18.351 17 HG22 THR 2 2HG2 THR 2 -5.050 22.624 17.533 18 HG23 THR 2 3HG2 THR 2 -3.740 22.449 18.704 19 H SER 3 H SER 3 -0.508 21.261 15.593 20 HA SER 3 HA SER 3 -0.837 19.381 13.524 21 HB2 SER 3 2HB SER 3 1.577 21.112 14.207 22 HB3 SER 3 1HB SER 3 1.351 20.256 12.679 23 HG SER 3 HG SER 3 -0.016 22.480 13.710 24 H THR 4 H THR 4 1.380 19.451 16.285 25 HA THR 4 HA THR 4 2.953 17.204 15.527 26 HB THR 4 HB THR 4 2.653 18.499 18.276 27 HG1 THR 4 HG1 THR 4 4.965 19.063 17.053 28 HG21 THR 4 1HG2 THR 4 3.684 16.248 18.456 29 HG22 THR 4 2HG2 THR 4 4.873 17.513 18.770 30 HG23 THR 4 3HG2 THR 4 4.859 16.689 17.212 31 H VAL 5 H VAL 5 0.091 17.584 17.655 32 HA VAL 5 HA VAL 5 0.307 14.905 18.698 33 HB VAL 5 HB VAL 5 -0.674 16.767 20.058 34 HG11 VAL 5 1HG1 VAL 5 -2.032 17.894 18.365 35 HG12 VAL 5 2HG1 VAL 5 -3.015 17.449 19.761 36 HG13 VAL 5 3HG1 VAL 5 -3.111 16.500 18.275 37 HG21 VAL 5 1HG2 VAL 5 -1.046 14.426 20.720 38 HG22 VAL 5 2HG2 VAL 5 -2.502 14.357 19.724 39 HG23 VAL 5 3HG2 VAL 5 -2.445 15.422 21.131 40 H GLU 6 H GLU 6 -1.631 16.455 16.124 41 HA GLU 6 HA GLU 6 -3.252 14.158 15.555 42 HB2 GLU 6 2HB GLU 6 -3.890 15.293 13.494 43 HB3 GLU 6 1HB GLU 6 -3.868 16.460 14.811 44 HG2 GLU 6 2HG GLU 6 -1.624 17.236 14.035 45 HG3 GLU 6 1HG GLU 6 -1.749 16.129 12.668 46 H PHE 7 H PHE 7 -0.108 15.320 14.435 47 HA PHE 7 HA PHE 7 0.531 13.411 12.489 48 HB2 PHE 7 2HB PHE 7 1.793 15.517 13.076 49 HB3 PHE 7 1HB PHE 7 2.380 14.732 14.529 50 HD1 PHE 7 HD1 PHE 7 4.360 13.381 14.452 51 HD2 PHE 7 HD2 PHE 7 2.477 14.599 10.808 52 HE1 PHE 7 HE1 PHE 7 6.312 12.606 13.174 53 HE2 PHE 7 HE2 PHE 7 4.437 13.821 9.547 54 HZ PHE 7 HZ PHE 7 6.354 12.835 10.728 55 H ILE 8 H ILE 8 0.953 13.319 16.031 56 HA ILE 8 HA ILE 8 2.177 10.817 16.392 57 HB ILE 8 HB ILE 8 0.305 12.398 18.214 58 HG12 ILE 8 2HG1 ILE 8 3.337 12.113 18.346 59 HG13 ILE 8 1HG1 ILE 8 2.494 13.491 17.656 60 HG21 ILE 8 1HG2 ILE 8 1.103 11.032 20.113 61 HG22 ILE 8 2HG2 ILE 8 1.972 9.990 18.989 62 HG23 ILE 8 3HG2 ILE 8 0.211 10.067 18.934 63 HD11 ILE 8 1HD1 ILE 8 3.256 14.026 19.863 64 HD12 ILE 8 2HD1 ILE 8 2.444 12.619 20.543 65 HD13 ILE 8 3HD1 ILE 8 1.495 13.950 19.873 66 H ASN 9 H ASN 9 -1.306 11.659 16.697 67 HA ASN 9 HA ASN 9 -2.263 9.085 17.256 68 HB2 ASN 9 2HB ASN 9 -3.700 11.523 16.133 69 HB3 ASN 9 1HB ASN 9 -4.548 10.022 16.474 70 HD21 ASN 9 1HD2 ASN 9 -3.215 12.879 17.839 71 HD22 ASN 9 2HD2 ASN 9 -3.650 12.555 19.477 72 H ARG 10 H ARG 10 -1.899 10.776 14.147 73 HA ARG 10 HA ARG 10 -3.219 8.747 12.618 74 HB2 ARG 10 2HB ARG 10 -1.447 11.049 11.740 75 HB3 ARG 10 1HB ARG 10 -2.209 9.924 10.611 76 HG2 ARG 10 2HG ARG 10 -4.439 10.583 11.510 77 HG3 ARG 10 1HG ARG 10 -3.641 11.776 12.544 78 HD2 ARG 10 2HD ARG 10 -3.614 11.707 9.514 79 HD3 ARG 10 1HD ARG 10 -4.509 12.841 10.530 80 HE ARG 10 HE ARG 10 -1.550 12.714 10.547 81 HH11 ARG 10 1HH1 ARG 10 -4.493 14.595 10.250 82 HH12 ARG 10 2HH1 ARG 10 -3.662 16.116 10.200 83 HH21 ARG 10 1HH2 ARG 10 -0.462 14.728 10.503 84 HH22 ARG 10 2HH2 ARG 10 -1.389 16.183 10.343 85 H TRP 11 H TRP 11 0.178 9.288 13.533 86 HA TRP 11 HA TRP 11 1.223 7.246 11.848 87 HB2 TRP 11 2HB TRP 11 2.308 8.787 14.191 88 HB3 TRP 11 1HB TRP 11 3.085 7.240 13.853 89 HD1 TRP 11 HD1 TRP 11 3.467 10.736 12.930 90 HE1 TRP 11 HE1 TRP 11 4.765 10.991 10.737 91 HE3 TRP 11 HE3 TRP 11 3.223 5.919 11.265 92 HZ2 TRP 11 HZ2 TRP 11 5.565 9.383 8.558 93 HZ3 TRP 11 HZ3 TRP 11 4.266 5.352 9.115 94 HH2 TRP 11 HH2 TRP 11 5.415 7.046 7.793 95 H GLN 12 H GLN 12 -0.036 7.169 15.175 96 HA GLN 12 HA GLN 12 0.269 4.451 15.734 97 HB2 GLN 12 2HB GLN 12 -0.578 6.071 17.386 98 HB3 GLN 12 1HB GLN 12 -2.053 6.290 16.453 99 HG2 GLN 12 2HG GLN 12 -2.669 3.935 16.884 100 HG3 GLN 12 1HG GLN 12 -1.186 3.723 17.816 101 HE21 GLN 12 1HE2 GLN 12 -2.373 3.150 19.656 102 HE22 GLN 12 2HE2 GLN 12 -3.250 4.307 20.588 103 H ARG 13 H ARG 13 -2.328 6.128 13.926 104 HA ARG 13 HA ARG 13 -3.947 3.930 13.312 105 HB2 ARG 13 2HB ARG 13 -3.478 6.332 11.494 106 HB3 ARG 13 1HB ARG 13 -4.856 5.242 11.445 107 HG2 ARG 13 2HG ARG 13 -4.201 7.252 13.610 108 HG3 ARG 13 1HG ARG 13 -5.496 7.358 12.428 109 HD2 ARG 13 2HD ARG 13 -6.533 5.326 13.475 110 HD3 ARG 13 1HD ARG 13 -5.284 5.383 14.725 111 HE ARG 13 HE ARG 13 -7.187 7.606 14.240 112 HH11 ARG 13 1HH1 ARG 13 -5.531 5.503 16.525 113 HH12 ARG 13 2HH1 ARG 13 -6.205 6.290 17.915 114 HH21 ARG 13 1HH2 ARG 13 -8.086 8.593 16.070 115 HH22 ARG 13 2HH2 ARG 13 -7.650 8.038 17.657 116 H ILE 14 H ILE 14 -1.270 5.382 11.422 117 HA ILE 14 HA ILE 14 -1.399 3.820 9.109 118 HB ILE 14 HB ILE 14 1.008 5.232 10.366 119 HG12 ILE 14 2HG1 ILE 14 -0.742 6.156 8.042 120 HG13 ILE 14 1HG1 ILE 14 -0.972 6.676 9.702 121 HG21 ILE 14 1HG2 ILE 14 0.771 4.162 7.529 122 HG22 ILE 14 2HG2 ILE 14 1.835 3.538 8.789 123 HG23 ILE 14 3HG2 ILE 14 2.094 5.158 8.142 124 HD11 ILE 14 1HD1 ILE 14 0.197 8.359 8.433 125 HD12 ILE 14 2HD1 ILE 14 1.463 7.210 8.003 126 HD13 ILE 14 3HD1 ILE 14 1.254 7.708 9.685 127 H ALA 15 H ALA 15 0.457 3.283 12.102 128 HA ALA 15 HA ALA 15 1.959 1.039 11.189 129 HB1 ALA 15 1HB ALA 15 2.605 0.785 13.538 130 HB2 ALA 15 2HB ALA 15 1.338 1.918 14.022 131 HB3 ALA 15 3HB ALA 15 2.692 2.472 13.037 132 H LEU 16 H LEU 16 -1.004 1.331 13.177 133 HA LEU 16 HA LEU 16 -1.350 -1.471 13.602 134 HB2 LEU 16 2HB LEU 16 -3.384 0.785 13.768 135 HB3 LEU 16 1HB LEU 16 -3.663 -0.853 14.338 136 HG LEU 16 HG LEU 16 -1.649 1.128 15.485 137 HD11 LEU 16 1HD1 LEU 16 -4.205 0.015 16.676 138 HD12 LEU 16 2HD1 LEU 16 -3.943 1.663 16.098 139 HD13 LEU 16 3HD1 LEU 16 -3.054 1.073 17.500 140 HD21 LEU 16 1HD2 LEU 16 -0.742 -1.143 15.621 141 HD22 LEU 16 2HD2 LEU 16 -2.219 -1.703 16.408 142 HD23 LEU 16 3HD2 LEU 16 -1.173 -0.534 17.218 143 H LEU 17 H LEU 17 -2.455 0.780 11.117 144 HA LEU 17 HA LEU 17 -4.264 -0.932 9.757 145 HB2 LEU 17 2HB LEU 17 -2.751 1.543 8.825 146 HB3 LEU 17 1HB LEU 17 -3.846 0.666 7.766 147 HG LEU 17 HG LEU 17 -4.657 2.001 10.382 148 HD11 LEU 17 1HD1 LEU 17 -5.187 2.911 7.537 149 HD12 LEU 17 2HD1 LEU 17 -4.082 3.670 8.686 150 HD13 LEU 17 3HD1 LEU 17 -5.814 3.662 9.008 151 HD21 LEU 17 1HD2 LEU 17 -6.965 1.533 9.674 152 HD22 LEU 17 2HD2 LEU 17 -6.042 0.052 9.906 153 HD23 LEU 17 3HD2 LEU 17 -6.365 0.642 8.273 154 H SER 18 H SER 18 -0.852 -0.062 9.076 155 HA SER 18 HA SER 18 -0.445 -1.548 6.766 156 HB2 SER 18 2HB SER 18 2.005 -1.433 7.359 157 HB3 SER 18 1HB SER 18 1.181 0.118 7.481 158 HG SER 18 HG SER 18 2.255 -1.486 9.475 159 H GLN 19 H GLN 19 0.049 -2.462 10.150 160 HA GLN 19 HA GLN 19 1.020 -5.082 9.768 161 HB2 GLN 19 2HB GLN 19 1.188 -3.775 11.883 162 HB3 GLN 19 1HB GLN 19 -0.548 -3.933 12.119 163 HG2 GLN 19 2HG GLN 19 -0.271 -6.395 12.298 164 HG3 GLN 19 1HG GLN 19 1.469 -6.197 12.105 165 HE21 GLN 19 1HE2 GLN 19 -0.621 -4.056 14.022 166 HE22 GLN 19 2HE2 GLN 19 0.056 -4.487 15.549 167 H SER 20 H SER 20 -2.317 -3.889 10.325 168 HA SER 20 HA SER 20 -3.569 -6.430 10.462 169 HB2 SER 20 2HB SER 20 -4.779 -3.703 9.836 170 HB3 SER 20 1HB SER 20 -5.711 -5.160 10.185 171 HG SER 20 HG SER 20 -4.547 -3.449 11.895 172 H LEU 21 H LEU 21 -3.423 -4.078 7.743 173 HA LEU 21 HA LEU 21 -4.868 -5.747 5.960 174 HB2 LEU 21 2HB LEU 21 -4.306 -4.086 4.202 175 HB3 LEU 21 1HB LEU 21 -5.031 -3.392 5.635 176 HG LEU 21 HG LEU 21 -2.610 -2.728 6.327 177 HD11 LEU 21 1HD1 LEU 21 -2.088 -3.190 3.392 178 HD12 LEU 21 2HD1 LEU 21 -1.347 -4.048 4.743 179 HD13 LEU 21 3HD1 LEU 21 -1.023 -2.333 4.512 180 HD21 LEU 21 1HD2 LEU 21 -3.916 -1.334 3.975 181 HD22 LEU 21 2HD2 LEU 21 -2.690 -0.639 5.042 182 HD23 LEU 21 3HD2 LEU 21 -4.270 -1.072 5.686 183 H LEU 22 H LEU 22 -1.471 -5.467 6.750 184 HA LEU 22 HA LEU 22 -0.348 -6.970 4.650 185 HB2 LEU 22 2HB LEU 22 1.065 -5.833 6.281 186 HB3 LEU 22 1HB LEU 22 0.403 -6.800 7.588 187 HG LEU 22 HG LEU 22 1.465 -8.840 6.584 188 HD11 LEU 22 1HD1 LEU 22 1.559 -8.136 4.250 189 HD12 LEU 22 2HD1 LEU 22 3.150 -8.615 4.832 190 HD13 LEU 22 3HD1 LEU 22 2.762 -6.903 4.648 191 HD21 LEU 22 1HD2 LEU 22 3.738 -8.338 7.290 192 HD22 LEU 22 2HD2 LEU 22 2.576 -7.601 8.390 193 HD23 LEU 22 3HD2 LEU 22 3.415 -6.605 7.198 194 H GLU 23 H GLU 23 -1.684 -7.978 7.801 195 HA GLU 23 HA GLU 23 -1.529 -10.758 7.481 196 HB2 GLU 23 2HB GLU 23 -3.537 -9.093 9.054 197 HB3 GLU 23 1HB GLU 23 -3.375 -10.843 9.201 198 HG2 GLU 23 2HG GLU 23 -1.100 -10.614 10.051 199 HG3 GLU 23 1HG GLU 23 -1.137 -8.875 9.770 200 H LEU 24 H LEU 24 -4.115 -8.479 6.584 201 HA LEU 24 HA LEU 24 -6.004 -10.353 5.622 202 HB2 LEU 24 2HB LEU 24 -5.614 -7.435 4.837 203 HB3 LEU 24 1HB LEU 24 -7.061 -8.383 4.517 204 HG LEU 24 HG LEU 24 -6.032 -7.753 7.312 205 HD11 LEU 24 1HD1 LEU 24 -6.677 -5.683 6.247 206 HD12 LEU 24 2HD1 LEU 24 -7.869 -6.120 7.466 207 HD13 LEU 24 3HD1 LEU 24 -8.225 -6.370 5.755 208 HD21 LEU 24 1HD2 LEU 24 -8.235 -8.516 8.079 209 HD22 LEU 24 2HD2 LEU 24 -7.374 -9.800 7.236 210 HD23 LEU 24 3HD2 LEU 24 -8.683 -8.936 6.424 211 H ALA 25 H ALA 25 -3.271 -8.776 4.056 212 HA ALA 25 HA ALA 25 -3.820 -9.459 1.356 213 HB1 ALA 25 1HB ALA 25 -1.466 -8.867 0.938 214 HB2 ALA 25 2HB ALA 25 -1.143 -8.879 2.676 215 HB3 ALA 25 3HB ALA 25 -2.235 -7.675 1.990 216 H GLN 26 H GLN 26 -1.754 -11.007 3.855 217 HA GLN 26 HA GLN 26 -1.095 -13.263 2.173 218 HB2 GLN 26 2HB GLN 26 0.067 -14.178 4.148 219 HB3 GLN 26 1HB GLN 26 0.532 -12.515 3.823 220 HG2 GLN 26 2HG GLN 26 -0.895 -11.732 5.650 221 HG3 GLN 26 1HG GLN 26 -1.429 -13.380 5.962 222 HE21 GLN 26 1HE2 GLN 26 1.926 -12.525 5.212 223 HE22 GLN 26 2HE2 GLN 26 2.534 -12.903 6.781 224 H ARG 27 H ARG 27 -3.714 -12.516 4.301 225 HA ARG 27 HA ARG 27 -4.687 -15.236 4.574 226 HB2 ARG 27 2HB ARG 27 -5.936 -12.516 5.144 227 HB3 ARG 27 1HB ARG 27 -6.834 -14.017 5.330 228 HG2 ARG 27 2HG ARG 27 -4.284 -13.353 6.837 229 HG3 ARG 27 1HG ARG 27 -5.916 -13.126 7.469 230 HD2 ARG 27 2HD ARG 27 -4.667 -15.777 6.669 231 HD3 ARG 27 1HD ARG 27 -4.922 -15.199 8.317 232 HE ARG 27 HE ARG 27 -7.343 -15.278 6.757 233 HH11 ARG 27 1HH1 ARG 27 -5.267 -17.259 8.813 234 HH12 ARG 27 2HH1 ARG 27 -6.545 -18.364 9.217 235 HH21 ARG 27 1HH2 ARG 27 -8.974 -16.733 7.278 236 HH22 ARG 27 2HH2 ARG 27 -8.645 -18.066 8.346 237 H GLY 28 H GLY 28 -4.957 -12.625 2.270 238 HA2 GLY 28 2HA GLY 28 -5.316 -13.094 -0.027 239 HA3 GLY 28 1HA GLY 28 -6.375 -14.424 0.402 240 H GLU 29 H GLU 29 -7.279 -11.934 2.392 241 HA GLU 29 HA GLU 29 -9.580 -11.259 0.749 242 HB2 GLU 29 2HB GLU 29 -8.805 -10.482 3.580 243 HB3 GLU 29 1HB GLU 29 -10.188 -9.764 2.760 244 HG2 GLU 29 2HG GLU 29 -10.975 -11.541 4.172 245 HG3 GLU 29 1HG GLU 29 -11.171 -12.029 2.488 246 H TRP 30 H TRP 30 -8.706 -10.187 -0.946 247 HA TRP 30 HA TRP 30 -7.133 -7.835 -0.790 248 HB2 TRP 30 2HB TRP 30 -8.970 -8.595 -3.104 249 HB3 TRP 30 1HB TRP 30 -7.511 -7.603 -3.164 250 HD1 TRP 30 HD1 TRP 30 -8.492 -10.888 -4.215 251 HE1 TRP 30 HE1 TRP 30 -6.547 -12.562 -4.232 252 HE3 TRP 30 HE3 TRP 30 -5.118 -8.280 -1.374 253 HZ2 TRP 30 HZ2 TRP 30 -3.962 -12.768 -3.179 254 HZ3 TRP 30 HZ3 TRP 30 -2.927 -9.293 -0.925 255 HH2 TRP 30 HH2 TRP 30 -2.363 -11.494 -1.811 256 H ASP 31 H ASP 31 -10.621 -8.463 -0.837 257 HA ASP 31 HA ASP 31 -11.663 -5.908 -1.162 258 HB2 ASP 31 2HB ASP 31 -12.671 -8.110 0.694 259 HB3 ASP 31 1HB ASP 31 -13.607 -6.685 0.251 260 H LEU 32 H LEU 32 -10.558 -7.481 1.820 261 HA LEU 32 HA LEU 32 -11.122 -5.236 3.524 262 HB2 LEU 32 2HB LEU 32 -9.556 -7.797 4.024 263 HB3 LEU 32 1HB LEU 32 -9.941 -6.612 5.263 264 HG LEU 32 HG LEU 32 -11.951 -8.299 3.718 265 HD11 LEU 32 1HD1 LEU 32 -12.415 -9.345 5.888 266 HD12 LEU 32 2HD1 LEU 32 -11.152 -8.366 6.640 267 HD13 LEU 32 3HD1 LEU 32 -10.729 -9.564 5.414 268 HD21 LEU 32 1HD2 LEU 32 -12.907 -6.088 4.164 269 HD22 LEU 32 2HD2 LEU 32 -12.479 -6.221 5.870 270 HD23 LEU 32 3HD2 LEU 32 -13.678 -7.312 5.172 271 H LEU 33 H LEU 33 -8.221 -6.533 1.950 272 HA LEU 33 HA LEU 33 -6.216 -4.902 3.026 273 HB2 LEU 33 2HB LEU 33 -5.720 -6.814 1.572 274 HB3 LEU 33 1HB LEU 33 -6.544 -6.045 0.226 275 HG LEU 33 HG LEU 33 -4.743 -4.230 0.275 276 HD11 LEU 33 1HD1 LEU 33 -3.344 -6.153 2.143 277 HD12 LEU 33 2HD1 LEU 33 -3.919 -4.531 2.536 278 HD13 LEU 33 3HD1 LEU 33 -2.613 -4.740 1.374 279 HD21 LEU 33 1HD2 LEU 33 -3.785 -7.045 -0.299 280 HD22 LEU 33 2HD2 LEU 33 -3.083 -5.549 -0.928 281 HD23 LEU 33 3HD2 LEU 33 -4.715 -6.020 -1.398 282 H LEU 34 H LEU 34 -8.338 -4.345 0.237 283 HA LEU 34 HA LEU 34 -7.213 -1.785 -0.492 284 HB2 LEU 34 2HB LEU 34 -9.690 -3.225 -1.520 285 HB3 LEU 34 1HB LEU 34 -8.913 -1.849 -2.294 286 HG LEU 34 HG LEU 34 -7.587 -4.565 -1.914 287 HD11 LEU 34 1HD1 LEU 34 -8.930 -3.476 -4.394 288 HD12 LEU 34 2HD1 LEU 34 -9.477 -4.828 -3.400 289 HD13 LEU 34 3HD1 LEU 34 -7.972 -4.956 -4.304 290 HD21 LEU 34 1HD2 LEU 34 -6.707 -2.215 -3.608 291 HD22 LEU 34 2HD2 LEU 34 -5.914 -3.789 -3.505 292 HD23 LEU 34 3HD2 LEU 34 -5.969 -2.741 -2.091 293 H GLN 35 H GLN 35 -9.920 -2.959 1.383 294 HA GLN 35 HA GLN 35 -11.446 -0.594 1.670 295 HB2 GLN 35 2HB GLN 35 -12.250 -2.829 2.391 296 HB3 GLN 35 1HB GLN 35 -11.009 -2.899 3.630 297 HG2 GLN 35 2HG GLN 35 -13.170 -2.381 4.623 298 HG3 GLN 35 1HG GLN 35 -12.075 -1.018 4.815 299 HE21 GLN 35 1HE2 GLN 35 -13.780 -1.723 1.784 300 HE22 GLN 35 2HE2 GLN 35 -14.821 -0.349 1.861 301 H GLN 36 H GLN 36 -8.611 -1.871 3.340 302 HA GLN 36 HA GLN 36 -8.417 0.352 5.199 303 HB2 GLN 36 2HB GLN 36 -6.494 -1.965 4.710 304 HB3 GLN 36 1HB GLN 36 -6.397 -0.815 6.038 305 HG2 GLN 36 2HG GLN 36 -8.582 -2.862 5.575 306 HG3 GLN 36 1HG GLN 36 -7.337 -2.914 6.819 307 HE21 GLN 36 1HE2 GLN 36 -10.296 -2.919 7.014 308 HE22 GLN 36 2HE2 GLN 36 -10.692 -1.603 8.059 309 H GLU 37 H GLU 37 -7.124 -0.509 2.053 310 HA GLU 37 HA GLU 37 -4.716 0.823 1.847 311 HB2 GLU 37 2HB GLU 37 -5.599 -0.504 -0.026 312 HB3 GLU 37 1HB GLU 37 -6.915 0.641 -0.257 313 HG2 GLU 37 2HG GLU 37 -5.141 2.399 -0.789 314 HG3 GLU 37 1HG GLU 37 -3.961 1.095 -0.810 315 H VAL 38 H VAL 38 -7.947 2.194 1.205 316 HA VAL 38 HA VAL 38 -7.130 4.732 0.386 317 HB VAL 38 HB VAL 38 -9.490 5.480 0.878 318 HG11 VAL 38 1HG1 VAL 38 -9.241 2.857 -0.639 319 HG12 VAL 38 2HG1 VAL 38 -8.914 4.468 -1.284 320 HG13 VAL 38 3HG1 VAL 38 -10.555 4.025 -0.808 321 HG21 VAL 38 1HG2 VAL 38 -9.955 4.095 2.874 322 HG22 VAL 38 2HG2 VAL 38 -9.893 2.633 1.888 323 HG23 VAL 38 3HG2 VAL 38 -11.170 3.824 1.619 324 H SER 39 H SER 39 -8.093 3.612 3.640 325 HA SER 39 HA SER 39 -7.832 6.102 4.986 326 HB2 SER 39 2HB SER 39 -7.652 3.270 6.140 327 HB3 SER 39 1HB SER 39 -8.034 4.746 7.034 328 HG SER 39 HG SER 39 -9.979 3.918 6.581 329 H TYR 40 H TYR 40 -5.648 3.437 4.353 330 HA TYR 40 HA TYR 40 -3.602 4.027 6.234 331 HB2 TYR 40 2HB TYR 40 -3.932 1.774 5.441 332 HB3 TYR 40 1HB TYR 40 -3.773 2.262 3.761 333 HD1 TYR 40 HD1 TYR 40 -1.641 2.651 6.859 334 HD2 TYR 40 HD2 TYR 40 -1.866 1.362 2.785 335 HE1 TYR 40 HE1 TYR 40 0.706 1.952 6.939 336 HE2 TYR 40 HE2 TYR 40 0.485 0.670 2.870 337 HH TYR 40 HH TYR 40 2.521 1.250 4.226 338 H LEU 41 H LEU 41 -3.561 4.228 2.661 339 HA LEU 41 HA LEU 41 -1.123 5.623 2.470 340 HB2 LEU 41 2HB LEU 41 -3.378 5.292 0.453 341 HB3 LEU 41 1HB LEU 41 -1.817 5.999 0.064 342 HG LEU 41 HG LEU 41 -2.259 3.125 0.995 343 HD11 LEU 41 1HD1 LEU 41 -3.088 3.471 -1.286 344 HD12 LEU 41 2HD1 LEU 41 -1.644 2.463 -1.287 345 HD13 LEU 41 3HD1 LEU 41 -1.535 4.159 -1.764 346 HD21 LEU 41 1HD2 LEU 41 -0.084 3.966 1.751 347 HD22 LEU 41 2HD2 LEU 41 0.311 4.483 0.109 348 HD23 LEU 41 3HD2 LEU 41 0.119 2.767 0.474 349 H GLN 42 H GLN 42 -4.528 6.771 2.602 350 HA GLN 42 HA GLN 42 -4.046 9.506 2.098 351 HB2 GLN 42 2HB GLN 42 -6.310 8.518 2.195 352 HB3 GLN 42 1HB GLN 42 -6.140 8.263 3.927 353 HG2 GLN 42 2HG GLN 42 -6.057 10.702 4.285 354 HG3 GLN 42 1HG GLN 42 -6.184 10.969 2.549 355 HE21 GLN 42 1HE2 GLN 42 -8.192 8.873 2.108 356 HE22 GLN 42 2HE2 GLN 42 -9.660 9.495 2.768 357 H SER 43 H SER 43 -3.931 7.660 5.169 358 HA SER 43 HA SER 43 -3.423 9.858 6.881 359 HB2 SER 43 2HB SER 43 -2.860 6.897 7.252 360 HB3 SER 43 1HB SER 43 -2.626 8.102 8.520 361 HG SER 43 HG SER 43 -5.072 7.577 7.177 362 H ILE 44 H ILE 44 -1.230 7.728 5.075 363 HA ILE 44 HA ILE 44 1.237 8.726 6.091 364 HB ILE 44 HB ILE 44 0.633 7.473 3.367 365 HG12 ILE 44 2HG1 ILE 44 1.754 6.172 5.898 366 HG13 ILE 44 1HG1 ILE 44 0.116 5.966 5.292 367 HG21 ILE 44 1HG2 ILE 44 3.073 7.004 3.236 368 HG22 ILE 44 2HG2 ILE 44 3.322 7.945 4.703 369 HG23 ILE 44 3HG2 ILE 44 2.725 8.733 3.241 370 HD11 ILE 44 1HD1 ILE 44 1.472 4.041 4.762 371 HD12 ILE 44 2HD1 ILE 44 2.645 5.049 3.915 372 HD13 ILE 44 3HD1 ILE 44 1.006 4.872 3.279 373 H GLU 45 H GLU 45 -0.649 9.550 3.186 374 HA GLU 45 HA GLU 45 1.091 11.548 2.189 375 HB2 GLU 45 2HB GLU 45 -1.850 10.987 1.630 376 HB3 GLU 45 1HB GLU 45 -0.884 12.149 0.721 377 HG2 GLU 45 2HG GLU 45 0.606 10.366 -0.060 378 HG3 GLU 45 1HG GLU 45 -0.249 9.182 0.923 379 H THR 46 H THR 46 -1.461 11.666 4.618 380 HA THR 46 HA THR 46 -1.634 14.574 4.498 381 HB THR 46 HB THR 46 -3.697 13.205 4.908 382 HG1 THR 46 HG1 THR 46 -3.438 15.472 5.473 383 HG21 THR 46 1HG2 THR 46 -2.599 12.907 7.723 384 HG22 THR 46 2HG2 THR 46 -2.765 11.594 6.559 385 HG23 THR 46 3HG2 THR 46 -4.201 12.421 7.162 386 H VAL 47 H VAL 47 -0.034 12.154 6.611 387 HA VAL 47 HA VAL 47 0.884 14.157 8.483 388 HB VAL 47 HB VAL 47 2.535 12.539 9.315 389 HG11 VAL 47 1HG1 VAL 47 -0.176 11.239 8.919 390 HG12 VAL 47 2HG1 VAL 47 0.257 12.386 10.186 391 HG13 VAL 47 3HG1 VAL 47 1.017 10.794 10.145 392 HG21 VAL 47 1HG2 VAL 47 2.745 10.258 8.416 393 HG22 VAL 47 2HG2 VAL 47 3.216 11.464 7.216 394 HG23 VAL 47 3HG2 VAL 47 1.645 10.670 7.097 395 H MET 48 H MET 48 1.914 13.055 5.344 396 HA MET 48 HA MET 48 4.374 14.622 5.349 397 HB2 MET 48 2HB MET 48 2.971 12.941 3.248 398 HB3 MET 48 1HB MET 48 4.409 13.897 2.882 399 HG2 MET 48 2HG MET 48 4.223 11.678 4.937 400 HG3 MET 48 1HG MET 48 5.032 11.599 3.369 401 HE1 MET 48 1HE MET 48 7.316 10.768 4.640 402 HE2 MET 48 2HE MET 48 6.454 10.868 6.177 403 HE3 MET 48 3HE MET 48 8.020 11.655 5.992 404 H GLU 49 H GLU 49 1.043 15.052 4.326 405 HA GLU 49 HA GLU 49 1.312 17.550 2.982 406 HB2 GLU 49 2HB GLU 49 -0.757 16.242 2.860 407 HB3 GLU 49 1HB GLU 49 -0.966 16.347 4.604 408 HG2 GLU 49 2HG GLU 49 -1.250 18.853 4.330 409 HG3 GLU 49 1HG GLU 49 -1.246 18.594 2.585 410 H LYS 50 H LYS 50 1.143 16.536 6.310 411 HA LYS 50 HA LYS 50 0.956 19.047 7.604 412 HB2 LYS 50 2HB LYS 50 0.474 16.706 8.564 413 HB3 LYS 50 1HB LYS 50 2.207 16.491 8.692 414 HG2 LYS 50 2HG LYS 50 1.713 17.132 10.852 415 HG3 LYS 50 1HG LYS 50 2.082 18.705 10.153 416 HD2 LYS 50 2HD LYS 50 -0.725 17.571 10.461 417 HD3 LYS 50 1HD LYS 50 0.041 18.648 11.621 418 HE2 LYS 50 2HE LYS 50 -0.504 19.390 8.729 419 HE3 LYS 50 1HE LYS 50 -1.576 19.772 10.073 420 HZ1 LYS 50 1HZ LYS 50 -0.111 21.613 9.452 421 HZ2 LYS 50 2HZ LYS 50 1.240 20.686 9.865 422 HZ3 LYS 50 3HZ LYS 50 0.118 21.122 11.053 423 H GLN 51 H GLN 51 3.487 17.502 5.910 424 HA GLN 51 HA GLN 51 5.571 18.063 5.304 425 HB2 GLN 51 2HB GLN 51 4.747 20.427 5.309 426 HB3 GLN 51 1HB GLN 51 5.202 20.570 6.999 427 HG2 GLN 51 2HG GLN 51 7.601 20.208 6.322 428 HG3 GLN 51 1HG GLN 51 7.076 20.215 4.639 429 HE21 GLN 51 1HE2 GLN 51 8.392 22.057 4.209 430 HE22 GLN 51 2HE2 GLN 51 7.958 23.634 4.757 431 H THR 52 H THR 52 4.704 16.946 8.159 432 HA THR 52 HA THR 52 5.544 16.211 10.101 433 HB THR 52 HB THR 52 8.225 16.371 8.658 434 HG1 THR 52 HG1 THR 52 6.871 14.916 7.653 435 HG21 THR 52 1HG2 THR 52 9.051 14.748 10.343 436 HG22 THR 52 2HG2 THR 52 7.528 14.879 11.226 437 HG23 THR 52 3HG2 THR 52 8.603 16.277 11.103 438 HA PRO 53 HA PRO 53 6.238 20.352 12.006 439 HB2 PRO 53 2HB PRO 53 5.824 18.735 14.521 440 HB3 PRO 53 1HB PRO 53 5.018 20.231 13.998 441 HG2 PRO 53 2HG PRO 53 3.714 17.919 13.907 442 HG3 PRO 53 1HG PRO 53 3.525 19.107 12.595 443 HD2 PRO 53 2HD PRO 53 5.200 16.595 12.639 444 HD3 PRO 53 1HD PRO 53 4.159 17.236 11.345 445 HA PRO 54 HA PRO 54 10.649 19.465 13.052 446 HB2 PRO 54 2HB PRO 54 10.694 22.401 13.713 447 HB3 PRO 54 1HB PRO 54 11.741 21.472 12.615 448 HG2 PRO 54 2HG PRO 54 9.898 23.105 11.611 449 HG3 PRO 54 1HG PRO 54 10.193 21.517 10.861 450 HD2 PRO 54 2HD PRO 54 7.968 22.319 12.751 451 HD3 PRO 54 1HD PRO 54 7.877 21.394 11.231 452 H GLY 55 H GLY 55 8.160 20.737 15.073 453 HA2 GLY 55 2HA GLY 55 9.647 20.616 17.573 454 HA3 GLY 55 1HA GLY 55 7.948 21.005 17.364 455 H ILE 56 H ILE 56 9.816 18.120 16.361 456 HA ILE 56 HA ILE 56 8.039 16.345 17.906 457 HB ILE 56 HB ILE 56 10.217 15.702 15.857 458 HG12 ILE 56 2HG1 ILE 56 8.220 16.659 14.793 459 HG13 ILE 56 1HG1 ILE 56 8.371 14.964 14.369 460 HG21 ILE 56 1HG2 ILE 56 9.441 13.353 15.941 461 HG22 ILE 56 2HG2 ILE 56 8.350 13.763 17.266 462 HG23 ILE 56 3HG2 ILE 56 10.095 13.885 17.492 463 HD11 ILE 56 1HD1 ILE 56 6.073 15.560 14.760 464 HD12 ILE 56 2HD1 ILE 56 6.454 16.144 16.378 465 HD13 ILE 56 3HD1 ILE 56 6.609 14.426 16.000 466 H THR 57 H THR 57 8.715 16.581 20.008 467 HA THR 57 HA THR 57 11.486 16.464 20.830 468 HB THR 57 HB THR 57 10.011 17.781 22.188 469 HG1 THR 57 HG1 THR 57 11.216 17.123 23.763 470 HG21 THR 57 1HG2 THR 57 7.861 16.717 21.743 471 HG22 THR 57 2HG2 THR 57 8.129 16.846 23.483 472 HG23 THR 57 3HG2 THR 57 8.344 15.294 22.669 473 H ARG 58 H ARG 58 11.928 14.700 22.751 474 HA ARG 58 HA ARG 58 12.568 12.607 20.945 475 HB2 ARG 58 2HB ARG 58 13.822 11.639 23.042 476 HB3 ARG 58 1HB ARG 58 14.367 13.119 22.279 477 HG2 ARG 58 2HG ARG 58 14.519 13.361 24.666 478 HG3 ARG 58 1HG ARG 58 13.271 14.444 24.057 479 HD2 ARG 58 2HD ARG 58 11.516 12.966 24.889 480 HD3 ARG 58 1HD ARG 58 12.712 11.751 25.351 481 HE ARG 58 HE ARG 58 13.162 12.925 27.260 482 HH11 ARG 58 1HH1 ARG 58 11.290 15.072 25.167 483 HH12 ARG 58 2HH1 ARG 58 11.093 16.269 26.402 484 HH21 ARG 58 1HH2 ARG 58 12.895 14.523 28.830 485 HH22 ARG 58 2HH2 ARG 58 11.996 15.962 28.463 486 H SER 59 H SER 59 10.183 12.611 23.584 487 HA SER 59 HA SER 59 9.840 9.743 23.586 488 HB2 SER 59 2HB SER 59 9.225 11.090 25.566 489 HB3 SER 59 1HB SER 59 7.956 11.897 24.644 490 HG SER 59 HG SER 59 8.113 9.232 25.549 491 H ILE 60 H ILE 60 8.239 12.484 22.026 492 HA ILE 60 HA ILE 60 6.224 11.115 20.595 493 HB ILE 60 HB ILE 60 7.716 13.685 19.870 494 HG12 ILE 60 2HG1 ILE 60 5.023 13.263 21.247 495 HG13 ILE 60 1HG1 ILE 60 6.501 13.816 22.025 496 HG21 ILE 60 1HG2 ILE 60 6.699 12.747 17.842 497 HG22 ILE 60 2HG2 ILE 60 5.815 14.190 18.343 498 HG23 ILE 60 3HG2 ILE 60 5.145 12.591 18.665 499 HD11 ILE 60 1HD1 ILE 60 4.896 15.289 19.950 500 HD12 ILE 60 2HD1 ILE 60 6.443 15.835 20.603 501 HD13 ILE 60 3HD1 ILE 60 5.047 15.668 21.664 502 H GLN 61 H GLN 61 9.556 11.974 19.827 503 HA GLN 61 HA GLN 61 9.806 11.028 17.218 504 HB2 GLN 61 2HB GLN 61 11.439 12.508 18.317 505 HB3 GLN 61 1HB GLN 61 11.875 11.231 19.448 506 HG2 GLN 61 2HG GLN 61 12.792 9.901 17.565 507 HG3 GLN 61 1HG GLN 61 12.373 11.210 16.455 508 HE21 GLN 61 1HE2 GLN 61 13.538 13.185 16.598 509 HE22 GLN 61 2HE2 GLN 61 15.075 13.272 17.379 510 H ASP 62 H ASP 62 10.305 9.404 20.331 511 HA ASP 62 HA ASP 62 11.284 6.923 19.426 512 HB2 ASP 62 2HB ASP 62 11.399 7.762 21.776 513 HB3 ASP 62 1HB ASP 62 9.661 7.568 21.934 514 H MET 63 H MET 63 7.957 8.001 20.160 515 HA MET 63 HA MET 63 6.620 5.561 19.607 516 HB2 MET 63 2HB MET 63 5.533 8.404 19.506 517 HB3 MET 63 1HB MET 63 4.539 6.954 19.456 518 HG2 MET 63 2HG MET 63 5.418 6.352 21.717 519 HG3 MET 63 1HG MET 63 6.245 7.909 21.759 520 HE1 MET 63 1HE MET 63 3.085 10.352 21.534 521 HE2 MET 63 2HE MET 63 3.820 9.629 20.104 522 HE3 MET 63 3HE MET 63 4.842 10.263 21.400 523 H VAL 64 H VAL 64 6.787 8.556 17.606 524 HA VAL 64 HA VAL 64 5.390 7.465 15.432 525 HB VAL 64 HB VAL 64 6.092 9.425 14.088 526 HG11 VAL 64 1HG1 VAL 64 5.190 10.179 16.893 527 HG12 VAL 64 2HG1 VAL 64 4.152 9.623 15.577 528 HG13 VAL 64 3HG1 VAL 64 4.997 11.165 15.436 529 HG21 VAL 64 1HG2 VAL 64 8.392 9.701 14.893 530 HG22 VAL 64 2HG2 VAL 64 7.801 10.204 16.475 531 HG23 VAL 64 3HG2 VAL 64 7.490 11.210 15.060 532 H ALA 65 H ALA 65 8.929 7.720 15.993 533 HA ALA 65 HA ALA 65 9.748 6.730 13.464 534 HB1 ALA 65 1HB ALA 65 11.310 7.857 14.991 535 HB2 ALA 65 2HB ALA 65 11.917 6.268 14.524 536 HB3 ALA 65 3HB ALA 65 11.201 6.508 16.122 537 H GLY 66 H GLY 66 8.869 5.101 16.513 538 HA2 GLY 66 2HA GLY 66 9.339 2.426 15.756 539 HA3 GLY 66 1HA GLY 66 8.113 2.966 16.896 540 H TYR 67 H TYR 67 6.522 4.535 15.188 541 HA TYR 67 HA TYR 67 4.872 2.539 13.982 542 HB2 TYR 67 2HB TYR 67 4.679 5.572 13.797 543 HB3 TYR 67 1HB TYR 67 3.424 4.442 13.297 544 HD1 TYR 67 HD1 TYR 67 3.788 6.753 15.639 545 HD2 TYR 67 HD2 TYR 67 3.318 2.509 15.543 546 HE1 TYR 67 HE1 TYR 67 2.813 6.813 17.885 547 HE2 TYR 67 HE2 TYR 67 2.340 2.571 17.798 548 HH TYR 67 HH TYR 67 1.436 5.517 19.347 549 H ILE 68 H ILE 68 7.194 4.896 12.719 550 HA ILE 68 HA ILE 68 6.594 4.538 9.947 551 HB ILE 68 HB ILE 68 9.313 5.416 11.066 552 HG12 ILE 68 2HG1 ILE 68 6.991 7.227 10.265 553 HG13 ILE 68 1HG1 ILE 68 7.460 6.890 11.916 554 HG21 ILE 68 1HG2 ILE 68 8.008 5.871 8.344 555 HG22 ILE 68 2HG2 ILE 68 9.348 4.775 8.683 556 HG23 ILE 68 3HG2 ILE 68 9.575 6.515 8.844 557 HD11 ILE 68 1HD1 ILE 68 9.170 8.298 9.876 558 HD12 ILE 68 2HD1 ILE 68 9.606 7.980 11.557 559 HD13 ILE 68 3HD1 ILE 68 8.261 9.057 11.183 560 H LYS 69 H LYS 69 8.929 3.110 12.216 561 HA LYS 69 HA LYS 69 10.322 1.412 10.465 562 HB2 LYS 69 2HB LYS 69 11.093 1.929 12.745 563 HB3 LYS 69 1HB LYS 69 9.709 1.087 13.433 564 HG2 LYS 69 2HG LYS 69 10.567 -1.062 12.549 565 HG3 LYS 69 1HG LYS 69 11.934 -0.215 11.818 566 HD2 LYS 69 2HD LYS 69 12.536 -1.337 13.955 567 HD3 LYS 69 1HD LYS 69 12.790 0.408 14.018 568 HE2 LYS 69 2HE LYS 69 11.777 -0.455 16.102 569 HE3 LYS 69 1HE LYS 69 10.702 0.683 15.294 570 HZ1 LYS 69 1HZ LYS 69 10.488 -2.279 15.231 571 HZ2 LYS 69 2HZ LYS 69 9.458 -1.214 14.419 572 HZ3 LYS 69 3HZ LYS 69 9.501 -1.229 16.110 573 H GLN 70 H GLN 70 7.326 0.882 12.339 574 HA GLN 70 HA GLN 70 6.844 -1.813 11.651 575 HB2 GLN 70 2HB GLN 70 4.895 0.403 12.385 576 HB3 GLN 70 1HB GLN 70 4.409 -1.272 12.159 577 HG2 GLN 70 2HG GLN 70 6.008 -1.889 14.025 578 HG3 GLN 70 1HG GLN 70 6.225 -0.164 14.318 579 HE21 GLN 70 1HE2 GLN 70 3.167 -1.721 13.386 580 HE22 GLN 70 2HE2 GLN 70 2.353 -1.396 14.874 581 H THR 71 H THR 71 5.601 1.220 10.197 582 HA THR 71 HA THR 71 3.983 -0.082 8.291 583 HB THR 71 HB THR 71 3.654 2.305 9.101 584 HG1 THR 71 HG1 THR 71 3.429 1.400 6.479 585 HG21 THR 71 1HG2 THR 71 5.931 3.196 8.742 586 HG22 THR 71 2HG2 THR 71 4.719 4.138 7.879 587 HG23 THR 71 3HG2 THR 71 5.734 2.992 7.001 588 H LEU 72 H LEU 72 7.328 1.116 8.144 589 HA LEU 72 HA LEU 72 7.824 0.820 5.387 590 HB2 LEU 72 2HB LEU 72 9.696 0.645 7.783 591 HB3 LEU 72 1HB LEU 72 10.279 0.550 6.131 592 HG LEU 72 HG LEU 72 8.830 2.953 7.311 593 HD11 LEU 72 1HD1 LEU 72 11.795 2.600 6.746 594 HD12 LEU 72 2HD1 LEU 72 11.040 2.648 8.342 595 HD13 LEU 72 3HD1 LEU 72 11.005 4.077 7.312 596 HD21 LEU 72 1HD2 LEU 72 8.451 2.782 4.916 597 HD22 LEU 72 2HD2 LEU 72 10.181 2.586 4.618 598 HD23 LEU 72 3HD2 LEU 72 9.560 4.111 5.254 599 H ASP 73 H ASP 73 8.244 -1.409 8.112 600 HA ASP 73 HA ASP 73 9.408 -3.577 6.744 601 HB2 ASP 73 2HB ASP 73 9.390 -3.301 9.235 602 HB3 ASP 73 1HB ASP 73 7.661 -3.627 9.251 603 H ASN 74 H ASN 74 6.023 -2.952 7.652 604 HA ASN 74 HA ASN 74 4.945 -5.360 6.611 605 HB2 ASN 74 2HB ASN 74 3.507 -2.742 7.211 606 HB3 ASN 74 1HB ASN 74 2.745 -4.319 7.034 607 HD21 ASN 74 1HD2 ASN 74 4.953 -5.657 8.628 608 HD22 ASN 74 2HD2 ASN 74 4.620 -5.209 10.260 609 H GLU 75 H GLU 75 5.305 -2.114 5.308 610 HA GLU 75 HA GLU 75 3.715 -2.499 2.944 611 HB2 GLU 75 2HB GLU 75 3.943 -0.347 4.127 612 HB3 GLU 75 1HB GLU 75 5.657 -0.303 3.754 613 HG2 GLU 75 2HG GLU 75 5.230 0.092 1.441 614 HG3 GLU 75 1HG GLU 75 3.515 -0.283 1.625 615 H GLN 76 H GLN 76 7.099 -2.857 3.776 616 HA GLN 76 HA GLN 76 8.155 -3.305 1.162 617 HB2 GLN 76 2HB GLN 76 9.618 -2.884 3.095 618 HB3 GLN 76 1HB GLN 76 9.042 -4.343 3.891 619 HG2 GLN 76 2HG GLN 76 10.069 -5.701 2.075 620 HG3 GLN 76 1HG GLN 76 10.686 -4.220 1.345 621 HE21 GLN 76 1HE2 GLN 76 10.605 -4.869 4.837 622 HE22 GLN 76 2HE2 GLN 76 12.319 -4.934 5.027 623 H LEU 77 H LEU 77 6.715 -5.410 3.639 624 HA LEU 77 HA LEU 77 6.948 -7.860 2.208 625 HB2 LEU 77 2HB LEU 77 5.011 -7.093 4.422 626 HB3 LEU 77 1HB LEU 77 5.280 -8.730 3.844 627 HG LEU 77 HG LEU 77 7.289 -6.981 5.315 628 HD11 LEU 77 1HD1 LEU 77 5.927 -9.548 6.174 629 HD12 LEU 77 2HD1 LEU 77 5.579 -7.927 6.776 630 HD13 LEU 77 3HD1 LEU 77 7.148 -8.659 7.092 631 HD21 LEU 77 1HD2 LEU 77 7.697 -9.764 4.183 632 HD22 LEU 77 2HD2 LEU 77 8.814 -8.915 5.254 633 HD23 LEU 77 3HD2 LEU 77 8.486 -8.277 3.646 634 H LEU 78 H LEU 78 4.441 -5.333 2.292 635 HA LEU 78 HA LEU 78 2.480 -6.596 0.674 636 HB2 LEU 78 2HB LEU 78 3.169 -3.637 0.924 637 HB3 LEU 78 1HB LEU 78 1.742 -4.250 0.105 638 HG LEU 78 HG LEU 78 2.300 -4.584 3.075 639 HD11 LEU 78 1HD1 LEU 78 0.381 -2.675 1.703 640 HD12 LEU 78 2HD1 LEU 78 1.924 -2.226 2.432 641 HD13 LEU 78 3HD1 LEU 78 0.632 -2.862 3.441 642 HD21 LEU 78 1HD2 LEU 78 0.908 -6.399 2.177 643 HD22 LEU 78 2HD2 LEU 78 -0.200 -5.223 1.465 644 HD23 LEU 78 3HD2 LEU 78 -0.038 -5.339 3.220 645 H LYS 79 H LYS 79 5.238 -4.503 -0.110 646 HA LYS 79 HA LYS 79 5.001 -4.141 -2.828 647 HB2 LYS 79 2HB LYS 79 6.668 -3.005 -1.451 648 HB3 LYS 79 1HB LYS 79 7.478 -4.523 -1.099 649 HG2 LYS 79 2HG LYS 79 8.159 -4.701 -3.476 650 HG3 LYS 79 1HG LYS 79 7.378 -3.148 -3.806 651 HD2 LYS 79 2HD LYS 79 8.922 -2.006 -2.268 652 HD3 LYS 79 1HD LYS 79 9.640 -3.552 -1.803 653 HE2 LYS 79 2HE LYS 79 11.086 -2.361 -3.384 654 HE3 LYS 79 1HE LYS 79 10.481 -3.853 -4.107 655 HZ1 LYS 79 1HZ LYS 79 9.394 -1.130 -4.594 656 HZ2 LYS 79 2HZ LYS 79 8.827 -2.559 -5.297 657 HZ3 LYS 79 3HZ LYS 79 10.383 -2.004 -5.652 658 H GLY 80 H GLY 80 6.818 -6.793 -1.199 659 HA2 GLY 80 2HA GLY 80 7.421 -8.260 -3.575 660 HA3 GLY 80 1HA GLY 80 7.531 -8.863 -1.933 661 H LEU 81 H LEU 81 4.878 -8.710 -1.118 662 HA LEU 81 HA LEU 81 3.855 -11.188 -1.974 663 HB2 LEU 81 2HB LEU 81 3.511 -10.075 0.253 664 HB3 LEU 81 1HB LEU 81 2.411 -8.941 -0.493 665 HG LEU 81 HG LEU 81 1.835 -11.946 -0.402 666 HD11 LEU 81 1HD1 LEU 81 0.420 -11.515 1.572 667 HD12 LEU 81 2HD1 LEU 81 0.982 -9.842 1.623 668 HD13 LEU 81 3HD1 LEU 81 2.116 -11.167 1.903 669 HD21 LEU 81 1HD2 LEU 81 -0.529 -11.266 -0.673 670 HD22 LEU 81 2HD2 LEU 81 0.452 -10.709 -2.024 671 HD23 LEU 81 3HD2 LEU 81 -0.035 -9.571 -0.771 672 H LEU 82 H LEU 82 2.580 -7.902 -2.521 673 HA LEU 82 HA LEU 82 0.492 -8.639 -4.256 674 HB2 LEU 82 2HB LEU 82 1.832 -5.914 -4.020 675 HB3 LEU 82 1HB LEU 82 0.274 -6.230 -4.768 676 HG LEU 82 HG LEU 82 0.950 -6.454 -1.806 677 HD11 LEU 82 1HD1 LEU 82 -0.917 -4.553 -3.262 678 HD12 LEU 82 2HD1 LEU 82 0.653 -4.152 -2.559 679 HD13 LEU 82 3HD1 LEU 82 -0.676 -4.639 -1.513 680 HD21 LEU 82 1HD2 LEU 82 -1.391 -7.041 -1.407 681 HD22 LEU 82 2HD2 LEU 82 -0.592 -8.259 -2.395 682 HD23 LEU 82 3HD2 LEU 82 -1.691 -7.101 -3.146 683 H GLN 83 H GLN 83 3.907 -7.753 -4.875 684 HA GLN 83 HA GLN 83 3.842 -7.459 -7.657 685 HB2 GLN 83 2HB GLN 83 5.861 -7.009 -6.330 686 HB3 GLN 83 1HB GLN 83 6.020 -8.714 -5.937 687 HG2 GLN 83 2HG GLN 83 6.411 -9.195 -8.357 688 HG3 GLN 83 1HG GLN 83 6.335 -7.465 -8.684 689 HE21 GLN 83 1HE2 GLN 83 7.886 -8.881 -5.824 690 HE22 GLN 83 2HE2 GLN 83 9.495 -8.441 -6.274 691 H GLN 84 H GLN 84 4.236 -10.431 -5.745 692 HA GLN 84 HA GLN 84 4.408 -12.296 -7.859 693 HB2 GLN 84 2HB GLN 84 3.291 -12.686 -5.052 694 HB3 GLN 84 1HB GLN 84 3.763 -13.984 -6.147 695 HG2 GLN 84 2HG GLN 84 6.093 -13.212 -6.089 696 HG3 GLN 84 1HG GLN 84 5.635 -11.871 -5.040 697 HE21 GLN 84 1HE2 GLN 84 4.421 -15.203 -4.750 698 HE22 GLN 84 2HE2 GLN 84 5.184 -15.517 -3.232 699 H ARG 85 H ARG 85 1.612 -11.093 -6.010 700 HA ARG 85 HA ARG 85 -0.417 -12.645 -7.159 701 HB2 ARG 85 2HB ARG 85 -0.646 -9.797 -6.097 702 HB3 ARG 85 1HB ARG 85 -1.991 -10.898 -6.355 703 HG2 ARG 85 2HG ARG 85 0.251 -11.328 -4.362 704 HG3 ARG 85 1HG ARG 85 -1.342 -10.681 -3.979 705 HD2 ARG 85 2HD ARG 85 -1.404 -12.961 -3.348 706 HD3 ARG 85 1HD ARG 85 -2.310 -12.873 -4.851 707 HE ARG 85 HE ARG 85 -0.489 -13.934 -5.973 708 HH11 ARG 85 1HH1 ARG 85 -0.179 -13.955 -2.468 709 HH12 ARG 85 2HH1 ARG 85 0.951 -15.276 -2.464 710 HH21 ARG 85 1HH2 ARG 85 0.935 -15.679 -5.943 711 HH22 ARG 85 2HH2 ARG 85 1.581 -16.252 -4.433 712 H LEU 86 H LEU 86 0.741 -9.406 -8.067 713 HA LEU 86 HA LEU 86 -1.113 -8.885 -10.131 714 HB2 LEU 86 2HB LEU 86 1.614 -7.666 -9.540 715 HB3 LEU 86 1HB LEU 86 0.512 -7.034 -10.755 716 HG LEU 86 HG LEU 86 -0.099 -7.194 -7.779 717 HD11 LEU 86 1HD1 LEU 86 1.640 -5.534 -8.235 718 HD12 LEU 86 2HD1 LEU 86 0.133 -4.767 -7.740 719 HD13 LEU 86 3HD1 LEU 86 0.607 -4.761 -9.442 720 HD21 LEU 86 1HD2 LEU 86 -2.123 -7.393 -9.085 721 HD22 LEU 86 2HD2 LEU 86 -1.688 -5.980 -10.051 722 HD23 LEU 86 3HD2 LEU 86 -2.056 -5.800 -8.336 723 H ASP 87 H ASP 87 2.026 -10.454 -10.110 724 HA ASP 87 HA ASP 87 2.485 -10.486 -12.915 725 HB2 ASP 87 2HB ASP 87 4.219 -10.965 -11.103 726 HB3 ASP 87 1HB ASP 87 3.486 -12.552 -10.897 727 H GLU 88 H GLU 88 0.992 -12.777 -10.646 728 HA GLU 88 HA GLU 88 0.270 -14.808 -12.498 729 HB2 GLU 88 2HB GLU 88 -0.953 -14.090 -9.802 730 HB3 GLU 88 1HB GLU 88 -1.230 -15.601 -10.667 731 HG2 GLU 88 2HG GLU 88 1.093 -16.243 -10.427 732 HG3 GLU 88 1HG GLU 88 1.507 -14.670 -9.750 733 H LEU 89 H LEU 89 -1.517 -12.007 -11.206 734 HA LEU 89 HA LEU 89 -4.039 -12.529 -12.342 735 HB2 LEU 89 2HB LEU 89 -2.799 -9.848 -11.569 736 HB3 LEU 89 1HB LEU 89 -4.494 -10.077 -11.967 737 HG LEU 89 HG LEU 89 -3.075 -11.329 -9.580 738 HD11 LEU 89 1HD1 LEU 89 -4.376 -9.779 -8.203 739 HD12 LEU 89 2HD1 LEU 89 -5.054 -9.037 -9.655 740 HD13 LEU 89 3HD1 LEU 89 -3.324 -8.909 -9.321 741 HD21 LEU 89 1HD2 LEU 89 -4.886 -12.771 -10.363 742 HD22 LEU 89 2HD2 LEU 89 -6.015 -11.413 -10.332 743 HD23 LEU 89 3HD2 LEU 89 -5.312 -12.016 -8.828 744 H SER 90 H SER 90 -1.355 -10.449 -13.460 745 HA SER 90 HA SER 90 -2.537 -9.546 -15.862 746 HB2 SER 90 2HB SER 90 -0.579 -8.445 -14.808 747 HB3 SER 90 1HB SER 90 0.431 -9.831 -15.214 748 HG SER 90 HG SER 90 0.318 -7.857 -16.673 749 H SER 91 H SER 91 -0.590 -12.412 -15.106 750 HA SER 91 HA SER 91 -0.115 -13.347 -17.721 751 HB2 SER 91 2HB SER 91 0.998 -14.217 -15.637 752 HB3 SER 91 1HB SER 91 -0.508 -15.019 -15.199 753 HG SER 91 HG SER 91 1.424 -15.918 -16.768 754 H LEU 92 H LEU 92 -2.792 -13.922 -15.443 755 HA LEU 92 HA LEU 92 -4.280 -15.731 -17.057 756 HB2 LEU 92 2HB LEU 92 -5.163 -13.990 -14.720 757 HB3 LEU 92 1HB LEU 92 -6.129 -15.281 -15.421 758 HG LEU 92 HG LEU 92 -3.454 -15.650 -14.012 759 HD11 LEU 92 1HD1 LEU 92 -4.725 -16.731 -12.224 760 HD12 LEU 92 2HD1 LEU 92 -6.239 -16.388 -13.065 761 HD13 LEU 92 3HD1 LEU 92 -5.250 -15.062 -12.449 762 HD21 LEU 92 1HD2 LEU 92 -5.319 -17.744 -15.177 763 HD22 LEU 92 2HD2 LEU 92 -3.885 -18.071 -14.200 764 HD23 LEU 92 3HD2 LEU 92 -3.715 -17.311 -15.779 765 H ILE 93 H ILE 93 -4.495 -12.214 -16.552 766 HA ILE 93 HA ILE 93 -6.752 -11.627 -18.135 767 HB ILE 93 HB ILE 93 -4.305 -9.868 -17.594 768 HG12 ILE 93 2HG1 ILE 93 -6.999 -9.832 -16.155 769 HG13 ILE 93 1HG1 ILE 93 -5.574 -10.656 -15.541 770 HG21 ILE 93 1HG2 ILE 93 -7.058 -9.040 -18.598 771 HG22 ILE 93 2HG2 ILE 93 -5.558 -9.003 -19.527 772 HG23 ILE 93 3HG2 ILE 93 -5.764 -7.930 -18.143 773 HD11 ILE 93 1HD1 ILE 93 -5.853 -8.526 -14.459 774 HD12 ILE 93 2HD1 ILE 93 -5.837 -7.690 -16.011 775 HD13 ILE 93 3HD1 ILE 93 -4.385 -8.516 -15.434 776 H GLY 94 H GLY 94 -3.311 -11.930 -18.921 777 HA2 GLY 94 2HA GLY 94 -3.409 -11.014 -21.604 778 HA3 GLY 94 1HA GLY 94 -2.141 -11.992 -20.884 779 H GLN 95 H GLN 95 -4.156 -14.100 -20.151 780 HA GLN 95 HA GLN 95 -4.103 -15.583 -22.653 781 HB2 GLN 95 2HB GLN 95 -5.112 -16.426 -19.898 782 HB3 GLN 95 1HB GLN 95 -4.919 -17.492 -21.287 783 HG2 GLN 95 2HG GLN 95 -2.702 -16.058 -19.811 784 HG3 GLN 95 1HG GLN 95 -3.076 -17.774 -19.718 785 HE21 GLN 95 1HE2 GLN 95 -2.521 -19.111 -21.477 786 HE22 GLN 95 2HE2 GLN 95 -1.401 -18.613 -22.692 787 H VAL 96 H VAL 96 -6.618 -14.473 -20.341 788 HA VAL 96 HA VAL 96 -8.769 -15.575 -21.897 789 HB VAL 96 HB VAL 96 -10.309 -14.491 -20.275 790 HG11 VAL 96 1HG1 VAL 96 -9.634 -15.780 -18.283 791 HG12 VAL 96 2HG1 VAL 96 -8.010 -15.975 -18.950 792 HG13 VAL 96 3HG1 VAL 96 -9.396 -16.705 -19.767 793 HG21 VAL 96 1HG2 VAL 96 -9.467 -13.279 -18.292 794 HG22 VAL 96 2HG2 VAL 96 -9.062 -12.418 -19.777 795 HG23 VAL 96 3HG2 VAL 96 -7.823 -13.346 -18.936 796 H LEU 97 H LEU 97 -7.565 -12.255 -21.361 797 HA LEU 97 HA LEU 97 -9.598 -11.049 -23.033 798 HB2 LEU 97 2HB LEU 97 -8.375 -10.028 -20.949 799 HB3 LEU 97 1HB LEU 97 -7.066 -9.663 -22.054 800 HG LEU 97 HG LEU 97 -9.916 -8.587 -22.337 801 HD11 LEU 97 1HD1 LEU 97 -9.045 -6.453 -21.521 802 HD12 LEU 97 2HD1 LEU 97 -7.462 -7.182 -21.244 803 HD13 LEU 97 3HD1 LEU 97 -8.858 -7.722 -20.314 804 HD21 LEU 97 1HD2 LEU 97 -7.394 -7.748 -23.815 805 HD22 LEU 97 2HD2 LEU 97 -8.974 -6.965 -23.931 806 HD23 LEU 97 3HD2 LEU 97 -8.768 -8.617 -24.503 807 H PHE 98 H PHE 98 -9.469 -11.303 -25.170 808 HA PHE 98 HA PHE 98 -6.889 -11.408 -26.588 809 HB2 PHE 98 2HB PHE 98 -9.709 -11.737 -27.720 810 HB3 PHE 98 1HB PHE 98 -8.191 -12.162 -28.507 811 HD1 PHE 98 HD1 PHE 98 -6.731 -13.998 -27.322 812 HD2 PHE 98 HD2 PHE 98 -10.900 -13.411 -26.527 813 HE1 PHE 98 HE1 PHE 98 -6.892 -16.281 -26.419 814 HE2 PHE 98 HE2 PHE 98 -11.047 -15.699 -25.629 815 HZ PHE 98 HZ PHE 98 -9.044 -17.133 -25.575 816 H GLN 99 H GLN 99 -6.188 -9.303 -26.553 817 HA GLN 99 HA GLN 99 -7.933 -7.059 -27.084 818 HB2 GLN 99 2HB GLN 99 -5.953 -5.649 -26.707 819 HB3 GLN 99 1HB GLN 99 -6.146 -6.827 -25.422 820 HG2 GLN 99 2HG GLN 99 -3.845 -6.818 -25.762 821 HG3 GLN 99 1HG GLN 99 -4.359 -8.221 -26.690 822 HE21 GLN 99 1HE2 GLN 99 -4.715 -4.877 -27.794 823 HE22 GLN 99 2HE2 GLN 99 -3.550 -4.993 -29.060 824 H GLY 100 H GLY 100 -5.713 -9.057 -28.919 825 HA2 GLY 100 2HA GLY 100 -6.369 -7.650 -31.408 826 HA3 GLY 100 1HA GLY 100 -4.676 -7.643 -30.931 827 HA PRO 101 HA PRO 101 -3.970 -11.704 -32.746 828 HB2 PRO 101 2HB PRO 101 -2.812 -12.624 -30.107 829 HB3 PRO 101 1HB PRO 101 -2.086 -12.646 -31.731 830 HG2 PRO 101 2HG PRO 101 -1.282 -10.845 -29.971 831 HG3 PRO 101 1HG PRO 101 -1.532 -10.371 -31.670 832 HD2 PRO 101 2HD PRO 101 -3.344 -9.911 -29.300 833 HD3 PRO 101 1HD PRO 101 -2.895 -8.791 -30.605 834 H SER 102 H SER 102 -4.350 -14.051 -32.506 835 HA SER 102 HA SER 102 -5.553 -15.917 -32.140 836 HB2 SER 102 2HB SER 102 -6.437 -14.660 -29.501 837 HB3 SER 102 1HB SER 102 -6.551 -16.367 -29.934 838 HG SER 102 HG SER 102 -4.035 -15.593 -30.311 839 H ALA 103 H ALA 103 -6.701 -13.548 -33.514 840 HA ALA 103 HA ALA 103 -9.480 -14.477 -33.682 841 HB1 ALA 103 1HB ALA 103 -10.408 -12.195 -33.464 842 HB2 ALA 103 2HB ALA 103 -8.799 -11.573 -33.079 843 HB3 ALA 103 3HB ALA 103 -9.592 -12.704 -31.985 844 H GLY 104 H GLY 104 -10.521 -13.908 -35.654 845 HA2 GLY 104 2HA GLY 104 -8.841 -13.441 -37.941 846 HA3 GLY 104 1HA GLY 104 -10.599 -13.552 -37.933 847 H LEU 105 H LEU 105 -11.461 -11.585 -36.408 848 HA LEU 105 HA LEU 105 -10.749 -9.106 -37.776 849 HB2 LEU 105 2HB LEU 105 -12.672 -8.170 -36.338 850 HB3 LEU 105 1HB LEU 105 -13.078 -9.359 -37.555 851 HG LEU 105 HG LEU 105 -13.214 -11.111 -35.731 852 HD11 LEU 105 1HD1 LEU 105 -11.859 -10.093 -33.976 853 HD12 LEU 105 2HD1 LEU 105 -13.488 -10.418 -33.386 854 HD13 LEU 105 3HD1 LEU 105 -13.014 -8.770 -33.811 855 HD21 LEU 105 1HD2 LEU 105 -15.112 -8.760 -35.472 856 HD22 LEU 105 2HD2 LEU 105 -15.429 -10.410 -34.929 857 HD23 LEU 105 3HD2 LEU 105 -15.226 -10.074 -36.646 858 H VAL 106 H VAL 106 -10.956 -7.107 -36.024 859 HA VAL 106 HA VAL 106 -8.722 -7.426 -34.136 860 HB VAL 106 HB VAL 106 -10.201 -4.899 -35.038 861 HG11 VAL 106 1HG1 VAL 106 -9.170 -4.620 -32.808 862 HG12 VAL 106 2HG1 VAL 106 -8.331 -3.646 -34.015 863 HG13 VAL 106 3HG1 VAL 106 -7.612 -5.154 -33.447 864 HG21 VAL 106 1HG2 VAL 106 -8.976 -5.961 -36.904 865 HG22 VAL 106 2HG2 VAL 106 -7.495 -5.972 -35.944 866 HG23 VAL 106 3HG2 VAL 106 -8.216 -4.437 -36.438 867 HA PRO 107 HA PRO 107 -12.268 -7.858 -31.221 868 HB2 PRO 107 2HB PRO 107 -11.166 -9.611 -29.515 869 HB3 PRO 107 1HB PRO 107 -11.471 -10.111 -31.196 870 HG2 PRO 107 2HG PRO 107 -8.890 -9.236 -29.933 871 HG3 PRO 107 1HG PRO 107 -9.192 -10.602 -31.033 872 HD2 PRO 107 2HD PRO 107 -8.242 -8.103 -31.842 873 HD3 PRO 107 1HD PRO 107 -9.034 -9.276 -32.910 874 H ARG 108 H ARG 108 -10.825 -5.460 -31.118 875 HA ARG 108 HA ARG 108 -9.452 -4.934 -28.696 876 HB2 ARG 108 2HB ARG 108 -9.208 -3.594 -30.785 877 HB3 ARG 108 1HB ARG 108 -10.860 -3.011 -30.600 878 HG2 ARG 108 2HG ARG 108 -10.227 -1.859 -28.514 879 HG3 ARG 108 1HG ARG 108 -8.578 -2.472 -28.671 880 HD2 ARG 108 2HD ARG 108 -9.951 -0.631 -30.662 881 HD3 ARG 108 1HD ARG 108 -8.805 -0.117 -29.422 882 HE ARG 108 HE ARG 108 -7.536 -2.084 -30.919 883 HH11 ARG 108 1HH1 ARG 108 -8.807 1.147 -31.526 884 HH12 ARG 108 2HH1 ARG 108 -7.681 1.484 -32.802 885 HH21 ARG 108 1HH2 ARG 108 -6.049 -1.629 -32.586 886 HH22 ARG 108 2HH2 ARG 108 -6.119 -0.094 -33.399 887 H GLY 109 H GLY 109 -10.752 -5.764 -27.028 888 HA2 GLY 109 2HA GLY 109 -13.491 -4.896 -26.561 889 HA3 GLY 109 1HA GLY 109 -12.551 -6.029 -25.597 890 H SER 110 H SER 110 -12.482 -2.598 -26.521 891 HA SER 110 HA SER 110 -11.061 -1.708 -24.222 892 HB2 SER 110 2HB SER 110 -12.703 -0.107 -26.237 893 HB3 SER 110 1HB SER 110 -11.513 0.555 -25.115 894 HG SER 110 HG SER 110 -10.974 -0.088 -27.471 895 H GLY 111 H GLY 111 -12.110 -2.284 -22.356 896 HA2 GLY 111 2HA GLY 111 -13.412 -1.387 -20.560 897 HA3 GLY 111 1HA GLY 111 -14.651 -0.892 -21.705 898 H GLY 112 H GLY 112 -15.593 -2.794 -23.017 899 HA2 GLY 112 2HA GLY 112 -16.064 -5.127 -21.236 900 HA3 GLY 112 1HA GLY 112 -17.401 -4.199 -21.901 901 H ILE 113 H ILE 113 -16.156 -7.042 -22.214 902 HA ILE 113 HA ILE 113 -16.148 -7.230 -25.171 903 HB ILE 113 HB ILE 113 -15.397 -9.413 -23.141 904 HG12 ILE 113 2HG1 ILE 113 -12.977 -8.946 -24.110 905 HG13 ILE 113 1HG1 ILE 113 -13.629 -7.379 -24.560 906 HG21 ILE 113 1HG2 ILE 113 -16.126 -10.325 -25.304 907 HG22 ILE 113 2HG2 ILE 113 -14.396 -10.586 -25.078 908 HG23 ILE 113 3HG2 ILE 113 -14.960 -9.303 -26.150 909 HD11 ILE 113 1HD1 ILE 113 -13.469 -8.492 -21.758 910 HD12 ILE 113 2HD1 ILE 113 -14.088 -6.900 -22.206 911 HD13 ILE 113 3HD1 ILE 113 -12.389 -7.293 -22.470 912 H GLU 114 H GLU 114 -17.479 -9.079 -26.076 913 HA GLU 114 HA GLU 114 -20.200 -8.980 -25.018 914 HB2 GLU 114 2HB GLU 114 -20.800 -9.939 -27.238 915 HB3 GLU 114 1HB GLU 114 -19.803 -8.497 -27.384 916 HG2 GLU 114 2HG GLU 114 -17.795 -10.048 -27.667 917 HG3 GLU 114 1HG GLU 114 -18.948 -11.376 -27.800 918 H GLY 115 H GLY 115 -18.373 -10.715 -23.455 919 HA2 GLY 115 2HA GLY 115 -19.803 -13.290 -23.684 920 HA3 GLY 115 1HA GLY 115 -18.053 -13.327 -23.874 921 H SER 428 H SER 428 -18.778 -14.889 -21.983 922 HA SER 428 HA SER 428 -18.892 -13.736 -19.347 923 HB2 SER 428 2HB SER 428 -19.685 -16.066 -19.853 924 HB3 SER 428 1HB SER 428 -18.016 -16.554 -20.157 925 HG SER 428 HG SER 428 -19.084 -15.546 -17.717 926 H ILE 429 H ILE 429 -16.399 -14.504 -21.621 927 HA ILE 429 HA ILE 429 -14.034 -14.342 -20.237 928 HB ILE 429 HB ILE 429 -14.116 -14.779 -22.625 929 HG12 ILE 429 2HG1 ILE 429 -12.048 -13.437 -21.578 930 HG13 ILE 429 1HG1 ILE 429 -12.119 -13.804 -23.291 931 HG21 ILE 429 1HG2 ILE 429 -16.007 -13.417 -23.271 932 HG22 ILE 429 2HG2 ILE 429 -14.636 -13.049 -24.318 933 HG23 ILE 429 3HG2 ILE 429 -15.082 -11.934 -23.023 934 HD11 ILE 429 1HD1 ILE 429 -12.854 -11.144 -22.060 935 HD12 ILE 429 2HD1 ILE 429 -12.791 -11.522 -23.785 936 HD13 ILE 429 3HD1 ILE 429 -11.316 -11.544 -22.822 937 H ASP 430 H ASP 430 -16.246 -11.714 -21.105 938 HA ASP 430 HA ASP 430 -14.738 -9.477 -20.336 939 HB2 ASP 430 2HB ASP 430 -16.749 -9.179 -21.621 940 HB3 ASP 430 1HB ASP 430 -17.733 -10.012 -20.422 941 H GLU 431 H GLU 431 -16.843 -11.622 -18.458 942 HA GLU 431 HA GLU 431 -16.893 -10.105 -16.053 943 HB2 GLU 431 2HB GLU 431 -17.412 -13.079 -16.477 944 HB3 GLU 431 1HB GLU 431 -17.854 -12.156 -15.039 945 HG2 GLU 431 2HG GLU 431 -19.418 -10.799 -16.369 946 HG3 GLU 431 1HG GLU 431 -18.946 -11.665 -17.833 947 H THR 432 H THR 432 -14.981 -12.983 -17.074 948 HA THR 432 HA THR 432 -13.557 -13.220 -14.625 949 HB THR 432 HB THR 432 -13.777 -15.120 -16.215 950 HG1 THR 432 HG1 THR 432 -12.031 -14.952 -14.614 951 HG21 THR 432 1HG2 THR 432 -13.370 -13.979 -18.354 952 HG22 THR 432 2HG2 THR 432 -12.240 -15.314 -18.140 953 HG23 THR 432 3HG2 THR 432 -11.700 -13.655 -17.883 954 H VAL 433 H VAL 433 -12.836 -11.492 -17.656 955 HA VAL 433 HA VAL 433 -10.295 -10.484 -17.049 956 HB VAL 433 HB VAL 433 -12.575 -9.269 -18.682 957 HG11 VAL 433 1HG1 VAL 433 -9.771 -8.123 -18.352 958 HG12 VAL 433 2HG1 VAL 433 -11.278 -7.365 -17.833 959 HG13 VAL 433 3HG1 VAL 433 -10.950 -7.586 -19.553 960 HG21 VAL 433 1HG2 VAL 433 -11.476 -11.266 -19.636 961 HG22 VAL 433 2HG2 VAL 433 -9.909 -10.461 -19.531 962 HG23 VAL 433 3HG2 VAL 433 -11.154 -9.835 -20.616 963 H ALA 434 H ALA 434 -13.527 -9.100 -16.406 964 HA ALA 434 HA ALA 434 -12.817 -6.756 -15.121 965 HB1 ALA 434 1HB ALA 434 -15.112 -7.272 -15.866 966 HB2 ALA 434 2HB ALA 434 -15.089 -6.749 -14.179 967 HB3 ALA 434 3HB ALA 434 -15.271 -8.462 -14.574 968 H ARG 435 H ARG 435 -13.075 -10.038 -13.763 969 HA ARG 435 HA ARG 435 -12.842 -9.321 -11.017 970 HB2 ARG 435 2HB ARG 435 -12.028 -11.956 -12.325 971 HB3 ARG 435 1HB ARG 435 -12.328 -11.696 -10.609 972 HG2 ARG 435 2HG ARG 435 -14.358 -11.593 -12.851 973 HG3 ARG 435 1HG ARG 435 -14.233 -12.820 -11.593 974 HD2 ARG 435 2HD ARG 435 -14.959 -11.261 -9.899 975 HD3 ARG 435 1HD ARG 435 -14.835 -9.894 -11.010 976 HE ARG 435 HE ARG 435 -16.812 -12.084 -11.302 977 HH11 ARG 435 1HH1 ARG 435 -16.027 -8.652 -11.477 978 HH12 ARG 435 2HH1 ARG 435 -17.614 -8.204 -12.010 979 HH21 ARG 435 1HH2 ARG 435 -18.867 -11.478 -11.999 980 HH22 ARG 435 2HH2 ARG 435 -19.223 -9.809 -12.305 981 H TYR 436 H TYR 436 -10.376 -10.769 -13.220 982 HA TYR 436 HA TYR 436 -8.253 -10.458 -11.328 983 HB2 TYR 436 2HB TYR 436 -8.091 -11.019 -14.317 984 HB3 TYR 436 1HB TYR 436 -6.754 -11.184 -13.181 985 HD1 TYR 436 HD1 TYR 436 -7.465 -12.708 -10.998 986 HD2 TYR 436 HD2 TYR 436 -9.113 -13.042 -14.931 987 HE1 TYR 436 HE1 TYR 436 -8.121 -15.033 -10.534 988 HE2 TYR 436 HE2 TYR 436 -9.766 -15.359 -14.462 989 HH TYR 436 HH TYR 436 -9.192 -17.181 -12.983 990 H LYS 437 H LYS 437 -9.544 -8.352 -13.737 991 HA LYS 437 HA LYS 437 -7.193 -6.708 -14.115 992 HB2 LYS 437 2HB LYS 437 -8.784 -7.049 -15.977 993 HB3 LYS 437 1HB LYS 437 -10.074 -6.308 -15.038 994 HG2 LYS 437 2HG LYS 437 -8.775 -4.166 -15.032 995 HG3 LYS 437 1HG LYS 437 -7.576 -4.935 -16.077 996 HD2 LYS 437 2HD LYS 437 -9.285 -5.255 -17.828 997 HD3 LYS 437 1HD LYS 437 -10.514 -4.547 -16.770 998 HE2 LYS 437 2HE LYS 437 -9.753 -2.886 -18.393 999 HE3 LYS 437 1HE LYS 437 -9.246 -2.405 -16.772 1000 HZ1 LYS 437 1HZ LYS 437 -7.540 -3.737 -18.811 1001 HZ2 LYS 437 2HZ LYS 437 -7.036 -3.309 -17.256 1002 HZ3 LYS 437 3HZ LYS 437 -7.465 -2.109 -18.365 1003 H ALA 438 H ALA 438 -10.351 -6.443 -12.432 1004 HA ALA 438 HA ALA 438 -9.917 -3.901 -11.278 1005 HB1 ALA 438 1HB ALA 438 -12.119 -4.987 -11.238 1006 HB2 ALA 438 2HB ALA 438 -11.608 -4.530 -9.609 1007 HB3 ALA 438 3HB ALA 438 -11.508 -6.216 -10.131 1008 H GLN 439 H GLN 439 -9.236 -7.194 -10.054 1009 HA GLN 439 HA GLN 439 -7.963 -6.488 -7.650 1010 HB2 GLN 439 2HB GLN 439 -7.478 -8.934 -9.407 1011 HB3 GLN 439 1HB GLN 439 -6.938 -8.768 -7.741 1012 HG2 GLN 439 2HG GLN 439 -9.790 -8.959 -8.730 1013 HG3 GLN 439 1HG GLN 439 -8.907 -10.143 -7.771 1014 HE21 GLN 439 1HE2 GLN 439 -10.608 -7.103 -7.711 1015 HE22 GLN 439 2HE2 GLN 439 -10.701 -6.973 -5.991 1016 H PHE 440 H PHE 440 -6.700 -6.782 -10.951 1017 HA PHE 440 HA PHE 440 -3.952 -6.568 -10.354 1018 HB2 PHE 440 2HB PHE 440 -4.799 -7.339 -12.569 1019 HB3 PHE 440 1HB PHE 440 -5.389 -5.718 -12.910 1020 HD1 PHE 440 HD1 PHE 440 -2.268 -7.640 -12.161 1021 HD2 PHE 440 HD2 PHE 440 -3.936 -4.134 -13.962 1022 HE1 PHE 440 HE1 PHE 440 -0.071 -7.067 -13.100 1023 HE2 PHE 440 HE2 PHE 440 -1.733 -3.573 -14.902 1024 HZ PHE 440 HZ PHE 440 0.200 -5.038 -14.467 1025 H THR 441 H THR 441 -6.185 -4.057 -11.618 1026 HA THR 441 HA THR 441 -4.384 -1.922 -11.528 1027 HB THR 441 HB THR 441 -7.433 -1.825 -11.453 1028 HG1 THR 441 HG1 THR 441 -5.739 -1.693 -13.734 1029 HG21 THR 441 1HG2 THR 441 -5.456 0.274 -12.437 1030 HG22 THR 441 2HG2 THR 441 -6.429 0.394 -10.967 1031 HG23 THR 441 3HG2 THR 441 -7.213 0.373 -12.547 1032 H GLN 442 H GLN 442 -6.643 -3.096 -9.072 1033 HA GLN 442 HA GLN 442 -6.496 -0.843 -7.315 1034 HB2 GLN 442 2HB GLN 442 -7.465 -3.696 -6.929 1035 HB3 GLN 442 1HB GLN 442 -7.537 -2.489 -5.647 1036 HG2 GLN 442 2HG GLN 442 -9.079 -1.128 -6.895 1037 HG3 GLN 442 1HG GLN 442 -8.857 -2.100 -8.346 1038 HE21 GLN 442 1HE2 GLN 442 -9.024 -4.680 -7.026 1039 HE22 GLN 442 2HE2 GLN 442 -10.668 -4.892 -6.540 1040 H LEU 443 H LEU 443 -4.997 -4.127 -7.156 1041 HA LEU 443 HA LEU 443 -3.315 -3.510 -4.915 1042 HB2 LEU 443 2HB LEU 443 -3.348 -5.766 -6.933 1043 HB3 LEU 443 1HB LEU 443 -2.029 -5.628 -5.792 1044 HG LEU 443 HG LEU 443 -3.604 -5.954 -3.898 1045 HD11 LEU 443 1HD1 LEU 443 -5.660 -5.016 -4.866 1046 HD12 LEU 443 2HD1 LEU 443 -5.913 -6.635 -4.217 1047 HD13 LEU 443 3HD1 LEU 443 -5.775 -6.396 -5.961 1048 HD21 LEU 443 1HD2 LEU 443 -4.081 -8.339 -4.296 1049 HD22 LEU 443 2HD2 LEU 443 -2.474 -7.897 -4.866 1050 HD23 LEU 443 3HD2 LEU 443 -3.788 -8.114 -6.024 1051 H ASP 444 H ASP 444 -3.069 -2.836 -8.293 1052 HA ASP 444 HA ASP 444 -0.182 -2.579 -8.442 1053 HB2 ASP 444 2HB ASP 444 -1.480 -3.286 -10.442 1054 HB3 ASP 444 1HB ASP 444 -2.336 -1.751 -10.449 1055 H THR 445 H THR 445 -2.987 -0.343 -8.331 1056 HA THR 445 HA THR 445 -1.358 2.018 -8.349 1057 HB THR 445 HB THR 445 -3.764 2.071 -9.090 1058 HG1 THR 445 HG1 THR 445 -2.387 3.897 -7.940 1059 HG21 THR 445 1HG2 THR 445 -4.416 1.968 -6.122 1060 HG22 THR 445 2HG2 THR 445 -4.789 0.701 -7.293 1061 HG23 THR 445 3HG2 THR 445 -5.560 2.285 -7.428 1062 H MET 446 H MET 446 -2.727 -0.096 -5.880 1063 HA MET 446 HA MET 446 -1.976 1.344 -3.595 1064 HB2 MET 446 2HB MET 446 -3.418 -0.713 -3.526 1065 HB3 MET 446 1HB MET 446 -2.007 -1.697 -3.911 1066 HG2 MET 446 2HG MET 446 -0.923 -0.953 -1.824 1067 HG3 MET 446 1HG MET 446 -2.328 0.045 -1.450 1068 HE1 MET 446 1HE MET 446 -2.637 -0.946 0.910 1069 HE2 MET 446 2HE MET 446 -1.184 -1.928 0.695 1070 HE3 MET 446 3HE MET 446 -2.676 -2.670 1.269 1071 H MET 447 H MET 447 -0.212 -1.010 -5.628 1072 HA MET 447 HA MET 447 2.166 -1.139 -4.150 1073 HB2 MET 447 2HB MET 447 1.759 -2.830 -5.792 1074 HB3 MET 447 1HB MET 447 1.652 -1.652 -7.093 1075 HG2 MET 447 2HG MET 447 4.017 -1.233 -7.029 1076 HG3 MET 447 1HG MET 447 4.203 -2.114 -5.514 1077 HE1 MET 447 1HE MET 447 3.604 -5.758 -6.579 1078 HE2 MET 447 2HE MET 447 2.476 -4.610 -5.871 1079 HE3 MET 447 3HE MET 447 4.140 -4.700 -5.284 1080 H SER 448 H SER 448 1.382 0.923 -6.966 1081 HA SER 448 HA SER 448 3.928 2.113 -7.245 1082 HB2 SER 448 2HB SER 448 2.654 3.856 -8.580 1083 HB3 SER 448 1HB SER 448 2.338 2.187 -9.071 1084 HG SER 448 HG SER 448 0.596 4.012 -8.247 1085 H LYS 449 H LYS 449 1.005 3.136 -5.489 1086 HA LYS 449 HA LYS 449 2.102 5.549 -4.449 1087 HB2 LYS 449 2HB LYS 449 -0.270 3.891 -3.530 1088 HB3 LYS 449 1HB LYS 449 0.170 5.444 -2.821 1089 HG2 LYS 449 2HG LYS 449 -0.125 6.499 -5.085 1090 HG3 LYS 449 1HG LYS 449 -0.708 4.942 -5.683 1091 HD2 LYS 449 2HD LYS 449 -2.628 6.349 -5.129 1092 HD3 LYS 449 1HD LYS 449 -2.543 5.009 -3.984 1093 HE2 LYS 449 2HE LYS 449 -1.439 6.536 -2.339 1094 HE3 LYS 449 1HE LYS 449 -1.636 7.867 -3.481 1095 HZ1 LYS 449 1HZ LYS 449 -3.829 6.302 -2.224 1096 HZ2 LYS 449 2HZ LYS 449 -4.042 7.540 -3.354 1097 HZ3 LYS 449 3HZ LYS 449 -3.374 7.883 -1.838 1098 H LEU 450 H LEU 450 1.984 2.189 -3.186 1099 HA LEU 450 HA LEU 450 2.906 2.995 -0.579 1100 HB2 LEU 450 2HB LEU 450 2.808 0.734 0.128 1101 HB3 LEU 450 1HB LEU 450 1.418 1.019 -0.878 1102 HG LEU 450 HG LEU 450 2.718 -0.245 -2.735 1103 HD11 LEU 450 1HD1 LEU 450 4.343 -1.942 -2.007 1104 HD12 LEU 450 2HD1 LEU 450 4.370 -1.227 -0.392 1105 HD13 LEU 450 3HD1 LEU 450 4.957 -0.307 -1.776 1106 HD21 LEU 450 1HD2 LEU 450 1.948 -2.432 -1.916 1107 HD22 LEU 450 2HD2 LEU 450 0.758 -1.172 -1.613 1108 HD23 LEU 450 3HD2 LEU 450 1.764 -1.765 -0.289 1109 H ASN 451 H ASN 451 4.404 2.116 -3.526 1110 HA ASN 451 HA ASN 451 7.046 1.582 -2.507 1111 HB2 ASN 451 2HB ASN 451 6.322 0.677 -4.693 1112 HB3 ASN 451 1HB ASN 451 6.062 2.300 -5.321 1113 HD21 ASN 451 1HD2 ASN 451 7.872 3.552 -5.899 1114 HD22 ASN 451 2HD2 ASN 451 9.442 2.861 -6.105 1115 H ASN 452 H ASN 452 5.305 4.329 -3.915 1116 HA ASN 452 HA ASN 452 7.341 6.288 -3.836 1117 HB2 ASN 452 2HB ASN 452 5.225 6.550 -5.124 1118 HB3 ASN 452 1HB ASN 452 4.314 6.627 -3.620 1119 HD21 ASN 452 1HD2 ASN 452 3.504 8.669 -3.915 1120 HD22 ASN 452 2HD2 ASN 452 4.470 10.101 -3.960 1121 H THR 453 H THR 453 4.865 5.309 -1.471 1122 HA THR 453 HA THR 453 5.406 7.356 0.415 1123 HB THR 453 HB THR 453 4.080 5.919 2.039 1124 HG1 THR 453 HG1 THR 453 3.777 3.921 1.538 1125 HG21 THR 453 1HG2 THR 453 1.901 6.137 0.888 1126 HG22 THR 453 2HG2 THR 453 2.725 6.384 -0.652 1127 HG23 THR 453 3HG2 THR 453 2.893 7.579 0.632 1128 H SER 454 H SER 454 6.190 3.809 0.497 1129 HA SER 454 HA SER 454 7.803 3.785 2.741 1130 HB2 SER 454 2HB SER 454 8.829 1.708 1.839 1131 HB3 SER 454 1HB SER 454 7.071 1.715 1.660 1132 HG SER 454 HG SER 454 7.290 1.655 -0.414 1133 H SER 455 H SER 455 8.682 4.740 -0.546 1134 HA SER 455 HA SER 455 11.446 5.030 -0.268 1135 HB2 SER 455 2HB SER 455 10.323 5.232 -2.439 1136 HB3 SER 455 1HB SER 455 9.498 6.697 -1.911 1137 HG SER 455 HG SER 455 11.253 7.344 -3.069 1138 H TYR 456 H TYR 456 9.000 7.721 -0.001 1139 HA TYR 456 HA TYR 456 11.000 9.443 1.143 1140 HB2 TYR 456 2HB TYR 456 9.212 11.153 1.397 1141 HB3 TYR 456 1HB TYR 456 9.407 10.542 -0.230 1142 HD1 TYR 456 HD1 TYR 456 7.234 9.657 2.774 1143 HD2 TYR 456 HD2 TYR 456 7.411 10.454 -1.427 1144 HE1 TYR 456 HE1 TYR 456 4.786 9.485 2.627 1145 HE2 TYR 456 HE2 TYR 456 4.965 10.266 -1.565 1146 HH TYR 456 HH TYR 456 3.104 9.292 -0.341 1147 H LEU 457 H LEU 457 8.836 7.204 2.559 1148 HA LEU 457 HA LEU 457 8.699 8.331 5.178 1149 HB2 LEU 457 2HB LEU 457 8.194 5.492 4.201 1150 HB3 LEU 457 1HB LEU 457 8.019 5.964 5.883 1151 HG LEU 457 HG LEU 457 6.332 6.935 3.542 1152 HD11 LEU 457 1HD1 LEU 457 4.484 5.800 4.713 1153 HD12 LEU 457 2HD1 LEU 457 5.608 5.231 5.951 1154 HD13 LEU 457 3HD1 LEU 457 5.770 4.672 4.284 1155 HD21 LEU 457 1HD2 LEU 457 5.005 8.170 5.246 1156 HD22 LEU 457 2HD2 LEU 457 6.629 8.808 5.025 1157 HD23 LEU 457 3HD2 LEU 457 6.260 7.821 6.438 1158 H THR 458 H THR 458 10.800 5.869 3.606 1159 HA THR 458 HA THR 458 12.240 5.279 6.022 1160 HB THR 458 HB THR 458 12.027 3.645 4.103 1161 HG1 THR 458 HG1 THR 458 13.530 2.899 5.391 1162 HG21 THR 458 1HG2 THR 458 12.590 5.110 2.194 1163 HG22 THR 458 2HG2 THR 458 13.670 3.718 2.270 1164 HG23 THR 458 3HG2 THR 458 14.231 5.299 2.815 1165 H GLN 459 H GLN 459 12.743 7.495 3.310 1166 HA GLN 459 HA GLN 459 15.346 8.425 3.992 1167 HB2 GLN 459 2HB GLN 459 13.064 9.802 2.507 1168 HB3 GLN 459 1HB GLN 459 14.700 10.453 2.609 1169 HG2 GLN 459 2HG GLN 459 15.582 8.534 1.385 1170 HG3 GLN 459 1HG GLN 459 13.980 7.789 1.350 1171 HE21 GLN 459 1HE2 GLN 459 12.427 8.608 -0.089 1172 HE22 GLN 459 2HE2 GLN 459 12.823 9.698 -1.366 1173 H GLN 460 H GLN 460 12.099 9.651 4.795 1174 HA GLN 460 HA GLN 460 12.999 11.843 6.393 1175 HB2 GLN 460 2HB GLN 460 10.712 11.476 5.114 1176 HB3 GLN 460 1HB GLN 460 10.197 10.676 6.586 1177 HG2 GLN 460 2HG GLN 460 11.251 13.518 6.512 1178 HG3 GLN 460 1HG GLN 460 9.546 13.124 6.335 1179 HE21 GLN 460 1HE2 GLN 460 11.077 14.648 8.417 1180 HE22 GLN 460 2HE2 GLN 460 10.590 13.939 9.912 1181 H PHE 461 H PHE 461 12.192 8.480 7.035 1182 HA PHE 461 HA PHE 461 12.140 8.502 9.858 1183 HB2 PHE 461 2HB PHE 461 11.377 6.532 8.645 1184 HB3 PHE 461 1HB PHE 461 12.947 6.312 7.896 1185 HD1 PHE 461 HD1 PHE 461 11.459 6.515 11.361 1186 HD2 PHE 461 HD2 PHE 461 14.294 4.603 8.786 1187 HE1 PHE 461 HE1 PHE 461 12.099 4.987 13.178 1188 HE2 PHE 461 HE2 PHE 461 14.920 3.086 10.615 1189 HZ PHE 461 HZ PHE 461 13.829 3.277 12.812 1190 H THR 462 H THR 462 14.796 8.115 7.507 1191 HA THR 462 HA THR 462 16.907 7.720 9.324 1192 HB THR 462 HB THR 462 17.066 9.059 6.584 1193 HG1 THR 462 HG1 THR 462 16.474 7.157 5.919 1194 HG21 THR 462 1HG2 THR 462 19.187 7.542 8.161 1195 HG22 THR 462 2HG2 THR 462 19.177 9.284 7.875 1196 HG23 THR 462 3HG2 THR 462 19.377 8.168 6.522 1197 H ALA 463 H ALA 463 15.446 10.715 8.028 1198 HA ALA 463 HA ALA 463 17.247 12.542 9.298 1199 HB1 ALA 463 1HB ALA 463 15.563 14.259 8.819 1200 HB2 ALA 463 2HB ALA 463 14.377 13.007 8.432 1201 HB3 ALA 463 3HB ALA 463 15.810 13.211 7.423 1202 H MET 464 H MET 464 13.990 11.420 10.260 1203 HA MET 464 HA MET 464 13.731 13.059 12.557 1204 HB2 MET 464 2HB MET 464 11.786 12.128 11.349 1205 HB3 MET 464 1HB MET 464 12.264 10.497 11.796 1206 HG2 MET 464 2HG MET 464 11.900 11.118 14.202 1207 HG3 MET 464 1HG MET 464 11.283 12.677 13.656 1208 HE1 MET 464 1HE MET 464 7.987 11.682 11.815 1209 HE2 MET 464 2HE MET 464 9.559 12.027 11.092 1210 HE3 MET 464 3HE MET 464 8.964 13.012 12.428 1211 H ASN 465 H ASN 465 14.928 9.809 12.063 1212 HA ASN 465 HA ASN 465 15.169 9.144 14.872 1213 HB2 ASN 465 2HB ASN 465 14.634 7.403 13.174 1214 HB3 ASN 465 1HB ASN 465 16.171 7.701 12.374 1215 HD21 ASN 465 1HD2 ASN 465 16.455 5.397 12.655 1216 HD22 ASN 465 2HD2 ASN 465 17.036 4.771 14.158 1217 H LYS 466 H LYS 466 17.579 9.522 12.181 1218 HA LYS 466 HA LYS 466 19.462 10.737 14.135 1219 HB2 LYS 466 2HB LYS 466 21.366 9.678 12.918 1220 HB3 LYS 466 1HB LYS 466 20.326 8.516 13.719 1221 HG2 LYS 466 2HG LYS 466 19.997 9.088 10.766 1222 HG3 LYS 466 1HG LYS 466 21.254 7.988 11.321 1223 HD2 LYS 466 2HD LYS 466 18.294 7.634 11.946 1224 HD3 LYS 466 1HD LYS 466 19.112 6.874 10.578 1225 HE2 LYS 466 2HE LYS 466 19.817 6.438 13.505 1226 HE3 LYS 466 1HE LYS 466 18.908 5.323 12.487 1227 HZ1 LYS 466 1HZ LYS 466 21.225 4.683 12.673 1228 HZ2 LYS 466 2HZ LYS 466 21.720 6.161 12.030 1229 HZ3 LYS 466 3HZ LYS 466 20.847 5.075 11.073 1230 H SER 467 H SER 467 18.278 12.744 13.241 1231 HA SER 467 HA SER 467 18.799 14.056 10.943 1232 HB2 SER 467 2HB SER 467 19.156 15.182 13.754 1233 HB3 SER 467 1HB SER 467 18.968 16.160 12.297 1234 HG SER 467 HG SER 467 16.986 14.635 12.102 Start of MODEL 20 1 H1 MET 1 1H MET 1 -1.658 23.137 19.062 2 H2 MET 1 2H MET 1 -0.490 23.144 20.276 3 H3 MET 1 3H MET 1 -1.548 21.834 20.128 4 HA MET 1 HA MET 1 0.465 22.653 18.130 5 HB2 MET 1 2HB MET 1 1.689 20.583 18.799 6 HB3 MET 1 1HB MET 1 1.593 21.755 20.096 7 HG2 MET 1 2HG MET 1 -0.019 20.436 21.287 8 HG3 MET 1 1HG MET 1 -0.254 19.363 19.905 9 HE1 MET 1 1HE MET 1 1.535 16.941 22.417 10 HE2 MET 1 2HE MET 1 0.123 17.190 21.388 11 HE3 MET 1 3HE MET 1 0.349 18.175 22.836 12 H THR 2 H THR 2 -1.430 22.646 16.697 13 HA THR 2 HA THR 2 -3.238 20.502 16.444 14 HB THR 2 HB THR 2 -3.822 21.623 14.215 15 HG1 THR 2 HG1 THR 2 -2.344 23.870 14.834 16 HG21 THR 2 1HG2 THR 2 -4.982 22.273 16.297 17 HG22 THR 2 2HG2 THR 2 -4.733 23.677 15.257 18 HG23 THR 2 3HG2 THR 2 -3.698 23.428 16.666 19 H SER 3 H SER 3 -0.595 21.414 14.208 20 HA SER 3 HA SER 3 -0.670 19.185 12.524 21 HB2 SER 3 2HB SER 3 1.692 20.987 13.202 22 HB3 SER 3 1HB SER 3 1.601 19.907 11.806 23 HG SER 3 HG SER 3 0.057 22.215 12.354 24 H THR 4 H THR 4 0.926 19.625 15.618 25 HA THR 4 HA THR 4 2.692 17.374 15.458 26 HB THR 4 HB THR 4 1.799 18.994 17.879 27 HG1 THR 4 HG1 THR 4 3.979 19.963 17.372 28 HG21 THR 4 1HG2 THR 4 3.925 18.287 18.908 29 HG22 THR 4 2HG2 THR 4 4.287 17.285 17.505 30 HG23 THR 4 3HG2 THR 4 2.920 16.883 18.543 31 H VAL 5 H VAL 5 -0.518 17.917 16.957 32 HA VAL 5 HA VAL 5 -0.531 15.400 18.345 33 HB VAL 5 HB VAL 5 -1.760 17.361 19.251 34 HG11 VAL 5 1HG1 VAL 5 -3.956 18.037 18.351 35 HG12 VAL 5 2HG1 VAL 5 -3.713 16.971 16.966 36 HG13 VAL 5 3HG1 VAL 5 -2.647 18.355 17.210 37 HG21 VAL 5 1HG2 VAL 5 -2.363 15.109 20.022 38 HG22 VAL 5 2HG2 VAL 5 -3.551 14.959 18.725 39 HG23 VAL 5 3HG2 VAL 5 -3.783 16.158 20.001 40 H GLU 6 H GLU 6 -1.964 16.612 15.290 41 HA GLU 6 HA GLU 6 -3.387 14.224 14.621 42 HB2 GLU 6 2HB GLU 6 -3.513 15.138 12.333 43 HB3 GLU 6 1HB GLU 6 -3.871 16.382 13.522 44 HG2 GLU 6 2HG GLU 6 -1.516 17.210 13.280 45 HG3 GLU 6 1HG GLU 6 -1.287 16.034 11.996 46 H PHE 7 H PHE 7 -0.088 15.363 13.988 47 HA PHE 7 HA PHE 7 0.956 13.351 12.389 48 HB2 PHE 7 2HB PHE 7 2.164 15.374 12.927 49 HB3 PHE 7 1HB PHE 7 2.160 15.001 14.638 50 HD1 PHE 7 HD1 PHE 7 3.684 14.120 11.364 51 HD2 PHE 7 HD2 PHE 7 3.869 13.636 15.608 52 HE1 PHE 7 HE1 PHE 7 5.957 13.186 11.190 53 HE2 PHE 7 HE2 PHE 7 6.128 12.708 15.399 54 HZ PHE 7 HZ PHE 7 7.169 12.488 13.190 55 H ILE 8 H ILE 8 0.890 13.429 15.983 56 HA ILE 8 HA ILE 8 1.998 10.935 16.583 57 HB ILE 8 HB ILE 8 -0.192 12.444 18.093 58 HG12 ILE 8 2HG1 ILE 8 2.813 12.451 18.631 59 HG13 ILE 8 1HG1 ILE 8 1.973 13.713 17.740 60 HG21 ILE 8 1HG2 ILE 8 0.523 11.175 20.105 61 HG22 ILE 8 2HG2 ILE 8 1.608 10.213 19.103 62 HG23 ILE 8 3HG2 ILE 8 -0.135 10.120 18.852 63 HD11 ILE 8 1HD1 ILE 8 1.528 12.981 20.634 64 HD12 ILE 8 2HD1 ILE 8 0.638 14.221 19.742 65 HD13 ILE 8 3HD1 ILE 8 2.370 14.402 20.014 66 H ASN 9 H ASN 9 -1.452 11.775 16.358 67 HA ASN 9 HA ASN 9 -2.497 9.266 17.079 68 HB2 ASN 9 2HB ASN 9 -3.849 11.518 15.535 69 HB3 ASN 9 1HB ASN 9 -4.688 10.193 16.339 70 HD21 ASN 9 1HD2 ASN 9 -4.900 13.070 16.759 71 HD22 ASN 9 2HD2 ASN 9 -4.545 13.341 18.428 72 H ARG 10 H ARG 10 -1.951 10.724 13.893 73 HA ARG 10 HA ARG 10 -3.280 8.602 12.461 74 HB2 ARG 10 2HB ARG 10 -1.537 10.864 11.416 75 HB3 ARG 10 1HB ARG 10 -2.477 9.759 10.410 76 HG2 ARG 10 2HG ARG 10 -4.564 10.587 11.384 77 HG3 ARG 10 1HG ARG 10 -3.661 11.632 12.486 78 HD2 ARG 10 2HD ARG 10 -3.784 11.851 9.465 79 HD3 ARG 10 1HD ARG 10 -4.502 12.953 10.645 80 HE ARG 10 HE ARG 10 -1.668 12.701 10.970 81 HH11 ARG 10 1HH1 ARG 10 -4.138 14.425 9.132 82 HH12 ARG 10 2HH1 ARG 10 -3.079 15.760 8.770 83 HH21 ARG 10 1HH2 ARG 10 -0.304 14.435 10.432 84 HH22 ARG 10 2HH2 ARG 10 -0.937 15.763 9.497 85 H TRP 11 H TRP 11 0.116 9.370 13.298 86 HA TRP 11 HA TRP 11 1.280 7.309 11.719 87 HB2 TRP 11 2HB TRP 11 2.245 8.938 14.061 88 HB3 TRP 11 1HB TRP 11 3.111 7.439 13.730 89 HD1 TRP 11 HD1 TRP 11 3.370 10.950 12.887 90 HE1 TRP 11 HE1 TRP 11 4.721 11.324 10.736 91 HE3 TRP 11 HE3 TRP 11 3.322 6.173 11.070 92 HZ2 TRP 11 HZ2 TRP 11 5.625 9.793 8.542 93 HZ3 TRP 11 HZ3 TRP 11 4.446 5.707 8.933 94 HH2 TRP 11 HH2 TRP 11 5.575 7.483 7.699 95 H GLN 12 H GLN 12 0.032 7.347 15.040 96 HA GLN 12 HA GLN 12 0.425 4.706 15.803 97 HB2 GLN 12 2HB GLN 12 -0.529 6.375 17.331 98 HB3 GLN 12 1HB GLN 12 -1.967 6.525 16.330 99 HG2 GLN 12 2HG GLN 12 -2.558 4.172 16.874 100 HG3 GLN 12 1HG GLN 12 -1.139 4.077 17.917 101 HE21 GLN 12 1HE2 GLN 12 -2.448 3.617 19.726 102 HE22 GLN 12 2HE2 GLN 12 -3.423 4.823 20.490 103 H ARG 13 H ARG 13 -2.254 6.124 13.908 104 HA ARG 13 HA ARG 13 -3.638 3.720 13.392 105 HB2 ARG 13 2HB ARG 13 -3.629 6.337 11.842 106 HB3 ARG 13 1HB ARG 13 -4.726 5.005 11.500 107 HG2 ARG 13 2HG ARG 13 -4.601 6.607 14.073 108 HG3 ARG 13 1HG ARG 13 -5.848 6.703 12.830 109 HD2 ARG 13 2HD ARG 13 -6.466 4.341 13.300 110 HD3 ARG 13 1HD ARG 13 -5.253 4.286 14.580 111 HE ARG 13 HE ARG 13 -7.882 5.414 14.706 112 HH11 ARG 13 1HH1 ARG 13 -4.657 5.740 16.101 113 HH12 ARG 13 2HH1 ARG 13 -5.237 6.462 17.566 114 HH21 ARG 13 1HH2 ARG 13 -8.616 6.330 16.635 115 HH22 ARG 13 2HH2 ARG 13 -7.480 6.795 17.861 116 H ILE 14 H ILE 14 -0.997 5.306 11.560 117 HA ILE 14 HA ILE 14 -1.245 3.823 9.161 118 HB ILE 14 HB ILE 14 1.160 5.280 10.360 119 HG12 ILE 14 2HG1 ILE 14 -0.633 6.069 8.018 120 HG13 ILE 14 1HG1 ILE 14 -0.845 6.655 9.657 121 HG21 ILE 14 1HG2 ILE 14 2.259 5.163 8.156 122 HG22 ILE 14 2HG2 ILE 14 0.955 4.143 7.546 123 HG23 ILE 14 3HG2 ILE 14 2.013 3.548 8.826 124 HD11 ILE 14 1HD1 ILE 14 1.537 7.168 7.884 125 HD12 ILE 14 2HD1 ILE 14 1.360 7.733 9.547 126 HD13 ILE 14 3HD1 ILE 14 0.257 8.308 8.299 127 H ALA 15 H ALA 15 0.637 3.245 12.120 128 HA ALA 15 HA ALA 15 1.947 0.858 11.233 129 HB1 ALA 15 1HB ALA 15 2.612 0.616 13.582 130 HB2 ALA 15 2HB ALA 15 1.461 1.873 14.049 131 HB3 ALA 15 3HB ALA 15 2.842 2.272 13.026 132 H LEU 16 H LEU 16 -0.993 1.464 13.167 133 HA LEU 16 HA LEU 16 -1.607 -1.225 13.825 134 HB2 LEU 16 2HB LEU 16 -3.424 1.206 13.588 135 HB3 LEU 16 1HB LEU 16 -3.946 -0.337 14.245 136 HG LEU 16 HG LEU 16 -1.805 1.460 15.454 137 HD11 LEU 16 1HD1 LEU 16 -4.625 0.910 16.427 138 HD12 LEU 16 2HD1 LEU 16 -4.053 2.412 15.696 139 HD13 LEU 16 3HD1 LEU 16 -3.409 1.891 17.251 140 HD21 LEU 16 1HD2 LEU 16 -2.950 -1.138 16.523 141 HD22 LEU 16 2HD2 LEU 16 -1.832 -0.069 17.377 142 HD23 LEU 16 3HD2 LEU 16 -1.312 -0.889 15.909 143 H LEU 17 H LEU 17 -2.516 0.835 11.104 144 HA LEU 17 HA LEU 17 -4.433 -0.914 9.925 145 HB2 LEU 17 2HB LEU 17 -2.955 1.506 8.804 146 HB3 LEU 17 1HB LEU 17 -4.166 0.620 7.891 147 HG LEU 17 HG LEU 17 -4.711 2.056 10.522 148 HD11 LEU 17 1HD1 LEU 17 -5.424 2.944 7.711 149 HD12 LEU 17 2HD1 LEU 17 -4.189 3.665 8.746 150 HD13 LEU 17 3HD1 LEU 17 -5.885 3.753 9.214 151 HD21 LEU 17 1HD2 LEU 17 -6.632 0.750 8.571 152 HD22 LEU 17 2HD2 LEU 17 -7.084 1.686 9.999 153 HD23 LEU 17 3HD2 LEU 17 -6.214 0.167 10.186 154 H SER 18 H SER 18 -0.999 -0.145 9.219 155 HA SER 18 HA SER 18 -0.638 -1.721 6.944 156 HB2 SER 18 2HB SER 18 1.800 -1.672 7.519 157 HB3 SER 18 1HB SER 18 1.043 -0.088 7.649 158 HG SER 18 HG SER 18 1.927 -1.808 9.685 159 H GLN 19 H GLN 19 -0.215 -2.555 10.369 160 HA GLN 19 HA GLN 19 0.530 -5.251 10.157 161 HB2 GLN 19 2HB GLN 19 0.654 -4.086 12.270 162 HB3 GLN 19 1HB GLN 19 -1.071 -3.741 12.258 163 HG2 GLN 19 2HG GLN 19 -1.534 -6.170 12.549 164 HG3 GLN 19 1HG GLN 19 0.202 -6.473 12.621 165 HE21 GLN 19 1HE2 GLN 19 -1.374 -3.665 14.102 166 HE22 GLN 19 2HE2 GLN 19 -1.076 -4.142 15.733 167 H SER 20 H SER 20 -2.750 -3.850 10.480 168 HA SER 20 HA SER 20 -4.184 -6.258 10.591 169 HB2 SER 20 2HB SER 20 -5.115 -3.492 9.722 170 HB3 SER 20 1HB SER 20 -6.190 -4.846 10.082 171 HG SER 20 HG SER 20 -4.667 -3.267 11.795 172 H LEU 21 H LEU 21 -3.604 -4.105 7.781 173 HA LEU 21 HA LEU 21 -5.112 -5.743 5.991 174 HB2 LEU 21 2HB LEU 21 -4.293 -4.205 4.206 175 HB3 LEU 21 1HB LEU 21 -5.094 -3.423 5.545 176 HG LEU 21 HG LEU 21 -2.721 -2.860 6.424 177 HD11 LEU 21 1HD1 LEU 21 -0.953 -2.638 4.762 178 HD12 LEU 21 2HD1 LEU 21 -1.956 -3.473 3.572 179 HD13 LEU 21 3HD1 LEU 21 -1.405 -4.323 5.017 180 HD21 LEU 21 1HD2 LEU 21 -3.736 -1.510 3.908 181 HD22 LEU 21 2HD2 LEU 21 -2.580 -0.824 5.056 182 HD23 LEU 21 3HD2 LEU 21 -4.232 -1.158 5.566 183 H LEU 22 H LEU 22 -1.727 -5.633 6.923 184 HA LEU 22 HA LEU 22 -0.651 -7.247 4.867 185 HB2 LEU 22 2HB LEU 22 0.771 -6.078 6.505 186 HB3 LEU 22 1HB LEU 22 0.140 -7.088 7.798 187 HG LEU 22 HG LEU 22 1.159 -9.099 6.634 188 HD11 LEU 22 1HD1 LEU 22 2.886 -8.742 4.936 189 HD12 LEU 22 2HD1 LEU 22 2.501 -7.021 4.881 190 HD13 LEU 22 3HD1 LEU 22 1.305 -8.213 4.361 191 HD21 LEU 22 1HD2 LEU 22 3.094 -6.921 7.459 192 HD22 LEU 22 2HD2 LEU 22 3.435 -8.654 7.393 193 HD23 LEU 22 3HD2 LEU 22 2.253 -8.035 8.541 194 H GLU 23 H GLU 23 -2.144 -8.069 7.995 195 HA GLU 23 HA GLU 23 -2.071 -10.870 7.828 196 HB2 GLU 23 2HB GLU 23 -4.174 -9.087 9.134 197 HB3 GLU 23 1HB GLU 23 -4.030 -10.821 9.405 198 HG2 GLU 23 2HG GLU 23 -1.834 -10.527 10.433 199 HG3 GLU 23 1HG GLU 23 -1.860 -8.802 10.069 200 H LEU 24 H LEU 24 -4.472 -8.536 6.620 201 HA LEU 24 HA LEU 24 -6.350 -10.420 5.606 202 HB2 LEU 24 2HB LEU 24 -5.922 -7.513 4.804 203 HB3 LEU 24 1HB LEU 24 -7.368 -8.463 4.479 204 HG LEU 24 HG LEU 24 -6.366 -7.758 7.265 205 HD11 LEU 24 1HD1 LEU 24 -7.098 -5.735 6.152 206 HD12 LEU 24 2HD1 LEU 24 -8.253 -6.187 7.402 207 HD13 LEU 24 3HD1 LEU 24 -8.627 -6.491 5.705 208 HD21 LEU 24 1HD2 LEU 24 -8.957 -9.073 6.407 209 HD22 LEU 24 2HD2 LEU 24 -8.547 -8.581 8.052 210 HD23 LEU 24 3HD2 LEU 24 -7.617 -9.849 7.257 211 H ALA 25 H ALA 25 -3.464 -8.993 4.228 212 HA ALA 25 HA ALA 25 -3.920 -9.711 1.484 213 HB1 ALA 25 1HB ALA 25 -1.575 -9.069 1.136 214 HB2 ALA 25 2HB ALA 25 -1.310 -9.019 2.884 215 HB3 ALA 25 3HB ALA 25 -2.405 -7.865 2.123 216 H GLN 26 H GLN 26 -2.056 -11.129 4.167 217 HA GLN 26 HA GLN 26 -1.163 -13.409 2.609 218 HB2 GLN 26 2HB GLN 26 -0.015 -14.127 4.620 219 HB3 GLN 26 1HB GLN 26 0.226 -12.397 4.420 220 HG2 GLN 26 2HG GLN 26 -1.573 -12.001 6.109 221 HG3 GLN 26 1HG GLN 26 -1.671 -13.739 6.362 222 HE21 GLN 26 1HE2 GLN 26 1.311 -11.876 5.883 223 HE22 GLN 26 2HE2 GLN 26 1.938 -12.158 7.466 224 H ARG 27 H ARG 27 -3.959 -12.649 4.493 225 HA ARG 27 HA ARG 27 -4.959 -15.361 4.724 226 HB2 ARG 27 2HB ARG 27 -6.291 -12.633 5.000 227 HB3 ARG 27 1HB ARG 27 -7.214 -14.126 5.078 228 HG2 ARG 27 2HG ARG 27 -4.968 -13.376 6.974 229 HG3 ARG 27 1HG ARG 27 -6.690 -13.203 7.307 230 HD2 ARG 27 2HD ARG 27 -5.242 -15.813 6.777 231 HD3 ARG 27 1HD ARG 27 -5.766 -15.221 8.356 232 HE ARG 27 HE ARG 27 -8.095 -15.245 7.111 233 HH11 ARG 27 1HH1 ARG 27 -5.580 -17.718 7.007 234 HH12 ARG 27 2HH1 ARG 27 -6.710 -19.015 6.753 235 HH21 ARG 27 1HH2 ARG 27 -9.555 -16.974 6.790 236 HH22 ARG 27 2HH2 ARG 27 -8.946 -18.594 6.630 237 H GLY 28 H GLY 28 -4.893 -12.852 2.315 238 HA2 GLY 28 2HA GLY 28 -5.011 -13.296 0.006 239 HA3 GLY 28 1HA GLY 28 -6.037 -14.688 0.315 240 H GLU 29 H GLU 29 -7.347 -12.434 2.237 241 HA GLU 29 HA GLU 29 -9.486 -11.770 0.429 242 HB2 GLU 29 2HB GLU 29 -8.919 -11.123 3.337 243 HB3 GLU 29 1HB GLU 29 -10.239 -10.333 2.483 244 HG2 GLU 29 2HG GLU 29 -11.086 -12.207 3.765 245 HG3 GLU 29 1HG GLU 29 -11.283 -12.512 2.047 246 H TRP 30 H TRP 30 -8.497 -10.611 -1.197 247 HA TRP 30 HA TRP 30 -6.869 -8.320 -0.875 248 HB2 TRP 30 2HB TRP 30 -8.631 -8.966 -3.286 249 HB3 TRP 30 1HB TRP 30 -7.193 -7.942 -3.269 250 HD1 TRP 30 HD1 TRP 30 -8.020 -11.132 -4.565 251 HE1 TRP 30 HE1 TRP 30 -6.068 -12.802 -4.540 252 HE3 TRP 30 HE3 TRP 30 -4.900 -8.730 -1.281 253 HZ2 TRP 30 HZ2 TRP 30 -3.576 -13.091 -3.292 254 HZ3 TRP 30 HZ3 TRP 30 -2.750 -9.779 -0.723 255 HH2 TRP 30 HH2 TRP 30 -2.104 -11.916 -1.711 256 H ASP 31 H ASP 31 -10.313 -8.791 -1.181 257 HA ASP 31 HA ASP 31 -11.262 -6.210 -1.551 258 HB2 ASP 31 2HB ASP 31 -12.503 -8.499 0.042 259 HB3 ASP 31 1HB ASP 31 -13.377 -7.091 -0.559 260 H LEU 32 H LEU 32 -10.508 -7.887 1.501 261 HA LEU 32 HA LEU 32 -11.267 -5.732 3.234 262 HB2 LEU 32 2HB LEU 32 -9.532 -8.174 3.772 263 HB3 LEU 32 1HB LEU 32 -10.151 -7.089 5.007 264 HG LEU 32 HG LEU 32 -11.811 -8.923 3.233 265 HD11 LEU 32 1HD1 LEU 32 -12.352 -10.117 5.303 266 HD12 LEU 32 2HD1 LEU 32 -11.303 -9.034 6.222 267 HD13 LEU 32 3HD1 LEU 32 -10.612 -10.114 5.011 268 HD21 LEU 32 1HD2 LEU 32 -12.768 -6.992 5.371 269 HD22 LEU 32 2HD2 LEU 32 -13.765 -8.192 4.545 270 HD23 LEU 32 3HD2 LEU 32 -13.059 -6.864 3.633 271 H LEU 33 H LEU 33 -8.197 -6.886 1.895 272 HA LEU 33 HA LEU 33 -6.340 -5.167 3.076 273 HB2 LEU 33 2HB LEU 33 -5.662 -7.073 1.732 274 HB3 LEU 33 1HB LEU 33 -6.469 -6.424 0.318 275 HG LEU 33 HG LEU 33 -4.751 -4.522 0.340 276 HD11 LEU 33 1HD1 LEU 33 -3.350 -6.318 2.331 277 HD12 LEU 33 2HD1 LEU 33 -3.956 -4.684 2.615 278 HD13 LEU 33 3HD1 LEU 33 -2.619 -4.942 1.499 279 HD21 LEU 33 1HD2 LEU 33 -3.720 -7.335 -0.114 280 HD22 LEU 33 2HD2 LEU 33 -3.023 -5.851 -0.775 281 HD23 LEU 33 3HD2 LEU 33 -4.637 -6.359 -1.267 282 H LEU 34 H LEU 34 -8.338 -4.680 0.188 283 HA LEU 34 HA LEU 34 -7.210 -2.139 -0.572 284 HB2 LEU 34 2HB LEU 34 -9.687 -3.597 -1.573 285 HB3 LEU 34 1HB LEU 34 -8.946 -2.208 -2.355 286 HG LEU 34 HG LEU 34 -7.554 -4.889 -1.989 287 HD11 LEU 34 1HD1 LEU 34 -8.964 -3.850 -4.460 288 HD12 LEU 34 2HD1 LEU 34 -9.464 -5.208 -3.448 289 HD13 LEU 34 3HD1 LEU 34 -7.969 -5.307 -4.373 290 HD21 LEU 34 1HD2 LEU 34 -6.772 -2.507 -3.685 291 HD22 LEU 34 2HD2 LEU 34 -5.936 -4.060 -3.627 292 HD23 LEU 34 3HD2 LEU 34 -5.985 -3.035 -2.195 293 H GLN 35 H GLN 35 -9.932 -3.243 1.322 294 HA GLN 35 HA GLN 35 -11.336 -0.779 1.573 295 HB2 GLN 35 2HB GLN 35 -12.280 -2.996 2.198 296 HB3 GLN 35 1HB GLN 35 -11.133 -3.114 3.524 297 HG2 GLN 35 2HG GLN 35 -13.349 -2.495 4.338 298 HG3 GLN 35 1HG GLN 35 -12.197 -1.199 4.635 299 HE21 GLN 35 1HE2 GLN 35 -13.709 -1.801 1.481 300 HE22 GLN 35 2HE2 GLN 35 -14.660 -0.361 1.473 301 H GLN 36 H GLN 36 -8.608 -2.231 3.309 302 HA GLN 36 HA GLN 36 -8.357 -0.068 5.235 303 HB2 GLN 36 2HB GLN 36 -6.472 -2.380 4.627 304 HB3 GLN 36 1HB GLN 36 -6.353 -1.294 6.003 305 HG2 GLN 36 2HG GLN 36 -8.617 -3.231 5.488 306 HG3 GLN 36 1HG GLN 36 -7.280 -3.493 6.602 307 HE21 GLN 36 1HE2 GLN 36 -10.101 -3.494 7.188 308 HE22 GLN 36 2HE2 GLN 36 -10.366 -2.251 8.359 309 H GLU 37 H GLU 37 -7.136 -0.801 2.064 310 HA GLU 37 HA GLU 37 -4.701 0.475 1.826 311 HB2 GLU 37 2HB GLU 37 -5.741 -0.760 -0.034 312 HB3 GLU 37 1HB GLU 37 -7.021 0.441 -0.153 313 HG2 GLU 37 2HG GLU 37 -5.183 2.134 -0.727 314 HG3 GLU 37 1HG GLU 37 -4.102 0.755 -0.887 315 H VAL 38 H VAL 38 -7.930 1.900 1.434 316 HA VAL 38 HA VAL 38 -7.090 4.434 0.579 317 HB VAL 38 HB VAL 38 -9.421 5.196 0.977 318 HG11 VAL 38 1HG1 VAL 38 -10.523 3.622 -0.588 319 HG12 VAL 38 2HG1 VAL 38 -9.222 2.455 -0.335 320 HG13 VAL 38 3HG1 VAL 38 -8.879 4.009 -1.100 321 HG21 VAL 38 1HG2 VAL 38 -11.137 3.642 1.842 322 HG22 VAL 38 2HG2 VAL 38 -9.922 3.995 3.072 323 HG23 VAL 38 3HG2 VAL 38 -9.886 2.453 2.214 324 H SER 39 H SER 39 -7.971 3.291 3.849 325 HA SER 39 HA SER 39 -7.783 5.837 5.134 326 HB2 SER 39 2HB SER 39 -7.833 4.415 7.241 327 HB3 SER 39 1HB SER 39 -9.152 4.096 6.115 328 HG SER 39 HG SER 39 -7.566 2.325 7.110 329 H TYR 40 H TYR 40 -5.602 3.124 4.696 330 HA TYR 40 HA TYR 40 -3.499 3.818 6.416 331 HB2 TYR 40 2HB TYR 40 -3.800 1.572 5.577 332 HB3 TYR 40 1HB TYR 40 -3.663 2.110 3.909 333 HD1 TYR 40 HD1 TYR 40 -1.528 2.479 7.005 334 HD2 TYR 40 HD2 TYR 40 -1.737 1.292 2.900 335 HE1 TYR 40 HE1 TYR 40 0.843 1.865 7.051 336 HE2 TYR 40 HE2 TYR 40 0.640 0.680 2.954 337 HH TYR 40 HH TYR 40 2.675 1.331 4.337 338 H LEU 41 H LEU 41 -3.534 4.037 2.843 339 HA LEU 41 HA LEU 41 -1.160 5.507 2.583 340 HB2 LEU 41 2HB LEU 41 -3.512 5.259 0.671 341 HB3 LEU 41 1HB LEU 41 -1.959 5.956 0.237 342 HG LEU 41 HG LEU 41 -2.403 3.054 1.070 343 HD11 LEU 41 1HD1 LEU 41 -1.864 4.199 -1.691 344 HD12 LEU 41 2HD1 LEU 41 -3.386 3.507 -1.126 345 HD13 LEU 41 3HD1 LEU 41 -1.962 2.482 -1.279 346 HD21 LEU 41 1HD2 LEU 41 0.127 4.418 0.078 347 HD22 LEU 41 2HD2 LEU 41 -0.069 2.684 0.348 348 HD23 LEU 41 3HD2 LEU 41 -0.163 3.799 1.708 349 H GLN 42 H GLN 42 -4.576 6.574 2.770 350 HA GLN 42 HA GLN 42 -4.348 9.302 2.261 351 HB2 GLN 42 2HB GLN 42 -6.490 8.104 2.639 352 HB3 GLN 42 1HB GLN 42 -6.106 7.950 4.348 353 HG2 GLN 42 2HG GLN 42 -6.138 10.478 4.482 354 HG3 GLN 42 1HG GLN 42 -6.741 10.494 2.826 355 HE21 GLN 42 1HE2 GLN 42 -8.410 8.056 3.260 356 HE22 GLN 42 2HE2 GLN 42 -9.756 8.595 4.196 357 H SER 43 H SER 43 -3.972 7.599 5.380 358 HA SER 43 HA SER 43 -3.406 9.836 6.986 359 HB2 SER 43 2HB SER 43 -2.664 6.915 7.391 360 HB3 SER 43 1HB SER 43 -2.513 8.166 8.632 361 HG SER 43 HG SER 43 -4.756 6.872 7.688 362 H ILE 44 H ILE 44 -1.262 7.715 5.092 363 HA ILE 44 HA ILE 44 1.221 8.765 5.975 364 HB ILE 44 HB ILE 44 0.573 7.562 3.237 365 HG12 ILE 44 2HG1 ILE 44 1.694 6.205 5.743 366 HG13 ILE 44 1HG1 ILE 44 0.051 6.022 5.145 367 HG21 ILE 44 1HG2 ILE 44 3.015 7.079 3.106 368 HG22 ILE 44 2HG2 ILE 44 3.262 7.983 4.599 369 HG23 ILE 44 3HG2 ILE 44 2.678 8.812 3.154 370 HD11 ILE 44 1HD1 ILE 44 2.563 5.111 3.739 371 HD12 ILE 44 2HD1 ILE 44 0.920 4.948 3.113 372 HD13 ILE 44 3HD1 ILE 44 1.392 4.095 4.582 373 H GLU 45 H GLU 45 -0.772 9.675 3.091 374 HA GLU 45 HA GLU 45 0.948 11.758 2.240 375 HB2 GLU 45 2HB GLU 45 -1.936 11.129 1.571 376 HB3 GLU 45 1HB GLU 45 -1.198 12.616 0.996 377 HG2 GLU 45 2HG GLU 45 -0.917 11.203 -0.819 378 HG3 GLU 45 1HG GLU 45 0.640 11.079 -0.007 379 H THR 46 H THR 46 -1.644 11.782 4.662 380 HA THR 46 HA THR 46 -1.837 14.695 4.591 381 HB THR 46 HB THR 46 -3.892 13.354 4.933 382 HG1 THR 46 HG1 THR 46 -3.161 15.540 6.248 383 HG21 THR 46 1HG2 THR 46 -2.775 12.717 7.683 384 HG22 THR 46 2HG2 THR 46 -2.991 11.561 6.369 385 HG23 THR 46 3HG2 THR 46 -4.397 12.334 7.101 386 H VAL 47 H VAL 47 -0.124 12.295 6.619 387 HA VAL 47 HA VAL 47 0.790 14.342 8.476 388 HB VAL 47 HB VAL 47 2.476 12.748 9.305 389 HG11 VAL 47 1HG1 VAL 47 0.982 11.010 10.200 390 HG12 VAL 47 2HG1 VAL 47 -0.240 11.425 8.994 391 HG13 VAL 47 3HG1 VAL 47 0.213 12.599 10.231 392 HG21 VAL 47 1HG2 VAL 47 2.648 10.436 8.440 393 HG22 VAL 47 2HG2 VAL 47 3.124 11.625 7.226 394 HG23 VAL 47 3HG2 VAL 47 1.544 10.846 7.122 395 H MET 48 H MET 48 1.852 13.042 5.397 396 HA MET 48 HA MET 48 4.376 14.528 5.418 397 HB2 MET 48 2HB MET 48 3.192 12.545 3.447 398 HB3 MET 48 1HB MET 48 4.729 13.372 3.195 399 HG2 MET 48 2HG MET 48 4.053 11.493 5.463 400 HG3 MET 48 1HG MET 48 5.146 11.180 4.113 401 HE1 MET 48 1HE MET 48 7.070 10.479 5.878 402 HE2 MET 48 2HE MET 48 5.897 10.781 7.162 403 HE3 MET 48 3HE MET 48 7.507 11.494 7.254 404 H GLU 49 H GLU 49 1.232 15.259 4.573 405 HA GLU 49 HA GLU 49 1.715 17.133 2.478 406 HB2 GLU 49 2HB GLU 49 -0.561 16.284 3.172 407 HB3 GLU 49 1HB GLU 49 -0.445 17.253 4.638 408 HG2 GLU 49 2HG GLU 49 -1.845 18.340 2.928 409 HG3 GLU 49 1HG GLU 49 -0.429 19.312 3.309 410 H LYS 50 H LYS 50 2.074 17.191 5.958 411 HA LYS 50 HA LYS 50 3.132 19.949 5.923 412 HB2 LYS 50 2HB LYS 50 2.240 18.189 8.255 413 HB3 LYS 50 1HB LYS 50 2.872 19.828 8.412 414 HG2 LYS 50 2HG LYS 50 0.984 20.714 7.111 415 HG3 LYS 50 1HG LYS 50 0.357 19.080 6.878 416 HD2 LYS 50 2HD LYS 50 -0.072 18.868 9.284 417 HD3 LYS 50 1HD LYS 50 0.659 20.449 9.579 418 HE2 LYS 50 2HE LYS 50 -1.121 21.531 8.271 419 HE3 LYS 50 1HE LYS 50 -1.840 19.958 7.922 420 HZ1 LYS 50 1HZ LYS 50 -1.527 21.107 10.642 421 HZ2 LYS 50 2HZ LYS 50 -2.310 19.663 10.243 422 HZ3 LYS 50 3HZ LYS 50 -2.951 21.136 9.733 423 H GLN 51 H GLN 51 4.155 16.771 5.751 424 HA GLN 51 HA GLN 51 6.149 15.713 5.723 425 HB2 GLN 51 2HB GLN 51 7.163 18.564 5.354 426 HB3 GLN 51 1HB GLN 51 8.136 17.128 5.070 427 HG2 GLN 51 2HG GLN 51 6.655 16.442 3.250 428 HG3 GLN 51 1HG GLN 51 5.601 17.824 3.557 429 HE21 GLN 51 1HE2 GLN 51 6.339 19.917 2.982 430 HE22 GLN 51 2HE2 GLN 51 7.644 20.145 1.869 431 H THR 52 H THR 52 5.190 16.181 8.324 432 HA THR 52 HA THR 52 5.728 16.021 10.509 433 HB THR 52 HB THR 52 8.631 15.866 9.571 434 HG1 THR 52 HG1 THR 52 8.032 13.931 9.006 435 HG21 THR 52 1HG2 THR 52 8.489 16.516 11.968 436 HG22 THR 52 2HG2 THR 52 9.138 14.888 11.768 437 HG23 THR 52 3HG2 THR 52 7.463 15.110 12.277 438 HA PRO 53 HA PRO 53 6.297 20.552 11.144 439 HB2 PRO 53 2HB PRO 53 5.351 20.561 13.763 440 HB3 PRO 53 1HB PRO 53 4.297 20.626 12.339 441 HG2 PRO 53 2HG PRO 53 5.038 18.260 14.025 442 HG3 PRO 53 1HG PRO 53 3.450 18.718 13.366 443 HD2 PRO 53 2HD PRO 53 4.944 16.800 12.199 444 HD3 PRO 53 1HD PRO 53 3.953 17.914 11.229 445 HA PRO 54 HA PRO 54 10.366 20.275 13.065 446 HB2 PRO 54 2HB PRO 54 10.900 22.918 13.560 447 HB3 PRO 54 1HB PRO 54 10.848 22.242 11.920 448 HG2 PRO 54 2HG PRO 54 8.680 23.710 13.403 449 HG3 PRO 54 1HG PRO 54 9.280 23.979 11.749 450 HD2 PRO 54 2HD PRO 54 7.035 22.562 12.190 451 HD3 PRO 54 1HD PRO 54 8.165 22.101 10.894 452 H GLY 55 H GLY 55 7.670 20.864 14.941 453 HA2 GLY 55 2HA GLY 55 9.167 21.392 17.445 454 HA3 GLY 55 1HA GLY 55 7.442 21.612 17.200 455 H ILE 56 H ILE 56 8.998 18.723 16.025 456 HA ILE 56 HA ILE 56 7.487 17.034 17.836 457 HB ILE 56 HB ILE 56 9.487 16.338 15.633 458 HG12 ILE 56 2HG1 ILE 56 7.510 17.347 14.679 459 HG13 ILE 56 1HG1 ILE 56 7.405 15.623 14.374 460 HG21 ILE 56 1HG2 ILE 56 7.672 14.444 17.168 461 HG22 ILE 56 2HG2 ILE 56 9.432 14.502 17.255 462 HG23 ILE 56 3HG2 ILE 56 8.639 14.015 15.754 463 HD11 ILE 56 1HD1 ILE 56 5.885 17.205 16.436 464 HD12 ILE 56 2HD1 ILE 56 5.838 15.446 16.294 465 HD13 ILE 56 3HD1 ILE 56 5.258 16.454 14.969 466 H THR 57 H THR 57 8.214 16.952 19.877 467 HA THR 57 HA THR 57 10.992 17.109 20.633 468 HB THR 57 HB THR 57 9.223 18.027 22.094 469 HG1 THR 57 HG1 THR 57 11.005 17.562 23.238 470 HG21 THR 57 1HG2 THR 57 7.434 16.371 21.714 471 HG22 THR 57 2HG2 THR 57 7.769 16.556 23.436 472 HG23 THR 57 3HG2 THR 57 8.374 15.143 22.566 473 H ARG 58 H ARG 58 11.827 15.298 22.243 474 HA ARG 58 HA ARG 58 12.387 13.197 20.410 475 HB2 ARG 58 2HB ARG 58 14.052 12.399 21.963 476 HB3 ARG 58 1HB ARG 58 14.120 14.152 21.928 477 HG2 ARG 58 2HG ARG 58 12.643 12.649 24.099 478 HG3 ARG 58 1HG ARG 58 14.367 12.978 24.206 479 HD2 ARG 58 2HD ARG 58 13.983 15.359 24.282 480 HD3 ARG 58 1HD ARG 58 12.273 15.156 23.877 481 HE ARG 58 HE ARG 58 12.838 13.719 26.229 482 HH11 ARG 58 1HH1 ARG 58 12.567 17.099 25.217 483 HH12 ARG 58 2HH1 ARG 58 12.079 17.639 26.793 484 HH21 ARG 58 1HH2 ARG 58 12.105 14.450 28.249 485 HH22 ARG 58 2HH2 ARG 58 11.821 16.143 28.498 486 H SER 59 H SER 59 10.164 13.318 23.133 487 HA SER 59 HA SER 59 9.783 10.495 23.435 488 HB2 SER 59 2HB SER 59 9.047 12.018 25.196 489 HB3 SER 59 1HB SER 59 7.932 12.824 24.092 490 HG SER 59 HG SER 59 7.669 10.055 24.450 491 H ILE 60 H ILE 60 8.026 13.008 21.610 492 HA ILE 60 HA ILE 60 6.077 11.346 20.393 493 HB ILE 60 HB ILE 60 7.181 14.061 19.526 494 HG12 ILE 60 2HG1 ILE 60 4.626 13.355 21.048 495 HG13 ILE 60 1HG1 ILE 60 6.082 14.029 21.772 496 HG21 ILE 60 1HG2 ILE 60 4.683 12.646 18.516 497 HG22 ILE 60 2HG2 ILE 60 6.147 12.967 17.584 498 HG23 ILE 60 3HG2 ILE 60 5.140 14.307 18.132 499 HD11 ILE 60 1HD1 ILE 60 5.780 16.063 20.421 500 HD12 ILE 60 2HD1 ILE 60 4.420 15.736 21.494 501 HD13 ILE 60 3HD1 ILE 60 4.284 15.386 19.771 502 H GLN 61 H GLN 61 9.244 12.464 19.432 503 HA GLN 61 HA GLN 61 9.432 11.491 16.814 504 HB2 GLN 61 2HB GLN 61 10.937 13.178 17.712 505 HB3 GLN 61 1HB GLN 61 11.521 12.073 18.948 506 HG2 GLN 61 2HG GLN 61 12.557 10.681 17.171 507 HG3 GLN 61 1HG GLN 61 12.014 11.858 15.970 508 HE21 GLN 61 1HE2 GLN 61 13.051 13.870 15.860 509 HE22 GLN 61 2HE2 GLN 61 14.540 14.192 16.669 510 H ASP 62 H ASP 62 10.208 9.989 19.955 511 HA ASP 62 HA ASP 62 11.356 7.583 18.934 512 HB2 ASP 62 2HB ASP 62 11.747 8.424 21.249 513 HB3 ASP 62 1HB ASP 62 10.070 8.096 21.660 514 H MET 63 H MET 63 8.066 8.471 19.984 515 HA MET 63 HA MET 63 6.829 5.944 19.799 516 HB2 MET 63 2HB MET 63 5.578 8.687 19.372 517 HB3 MET 63 1HB MET 63 4.663 7.195 19.537 518 HG2 MET 63 2HG MET 63 5.679 6.947 21.827 519 HG3 MET 63 1HG MET 63 6.326 8.575 21.640 520 HE1 MET 63 1HE MET 63 4.652 10.750 21.153 521 HE2 MET 63 2HE MET 63 2.896 10.614 21.205 522 HE3 MET 63 3HE MET 63 3.793 9.867 19.885 523 H VAL 64 H VAL 64 6.965 8.610 17.441 524 HA VAL 64 HA VAL 64 5.559 7.130 15.448 525 HB VAL 64 HB VAL 64 5.927 8.990 13.934 526 HG11 VAL 64 1HG1 VAL 64 4.130 9.151 15.620 527 HG12 VAL 64 2HG1 VAL 64 4.769 10.739 15.207 528 HG13 VAL 64 3HG1 VAL 64 5.230 9.975 16.731 529 HG21 VAL 64 1HG2 VAL 64 7.763 10.188 16.044 530 HG22 VAL 64 2HG2 VAL 64 7.256 10.966 14.541 531 HG23 VAL 64 3HG2 VAL 64 8.269 9.526 14.486 532 H ALA 65 H ALA 65 9.000 7.586 16.162 533 HA ALA 65 HA ALA 65 10.071 6.503 13.783 534 HB1 ALA 65 1HB ALA 65 12.070 5.940 15.115 535 HB2 ALA 65 2HB ALA 65 11.169 6.242 16.605 536 HB3 ALA 65 3HB ALA 65 11.493 7.566 15.487 537 H GLY 66 H GLY 66 8.906 4.940 16.772 538 HA2 GLY 66 2HA GLY 66 9.238 2.237 16.105 539 HA3 GLY 66 1HA GLY 66 7.964 2.876 17.139 540 H TYR 67 H TYR 67 6.506 4.436 15.412 541 HA TYR 67 HA TYR 67 4.840 2.511 14.159 542 HB2 TYR 67 2HB TYR 67 4.793 5.546 13.914 543 HB3 TYR 67 1HB TYR 67 3.505 4.472 13.376 544 HD1 TYR 67 HD1 TYR 67 3.828 6.808 15.671 545 HD2 TYR 67 HD2 TYR 67 3.268 2.569 15.676 546 HE1 TYR 67 HE1 TYR 67 2.773 6.954 17.880 547 HE2 TYR 67 HE2 TYR 67 2.204 2.725 17.891 548 HH TYR 67 HH TYR 67 2.160 4.213 19.814 549 H ILE 68 H ILE 68 7.301 4.721 12.843 550 HA ILE 68 HA ILE 68 6.597 4.376 10.083 551 HB ILE 68 HB ILE 68 9.288 5.344 11.190 552 HG12 ILE 68 2HG1 ILE 68 6.965 7.048 10.182 553 HG13 ILE 68 1HG1 ILE 68 7.320 6.791 11.873 554 HG21 ILE 68 1HG2 ILE 68 9.604 6.351 8.932 555 HG22 ILE 68 2HG2 ILE 68 8.088 5.620 8.400 556 HG23 ILE 68 3HG2 ILE 68 9.450 4.593 8.848 557 HD11 ILE 68 1HD1 ILE 68 9.127 8.163 9.893 558 HD12 ILE 68 2HD1 ILE 68 9.474 7.910 11.607 559 HD13 ILE 68 3HD1 ILE 68 8.130 8.943 11.123 560 H LYS 69 H LYS 69 8.980 2.927 12.283 561 HA LYS 69 HA LYS 69 10.326 1.259 10.457 562 HB2 LYS 69 2HB LYS 69 11.107 1.843 12.748 563 HB3 LYS 69 1HB LYS 69 9.847 0.845 13.443 564 HG2 LYS 69 2HG LYS 69 11.861 -0.419 11.581 565 HG3 LYS 69 1HG LYS 69 12.347 -0.029 13.226 566 HD2 LYS 69 2HD LYS 69 10.065 -1.876 12.424 567 HD3 LYS 69 1HD LYS 69 11.634 -2.371 13.057 568 HE2 LYS 69 2HE LYS 69 11.123 -1.171 15.185 569 HE3 LYS 69 1HE LYS 69 9.524 -0.772 14.551 570 HZ1 LYS 69 1HZ LYS 69 10.578 -3.506 15.059 571 HZ2 LYS 69 2HZ LYS 69 9.078 -3.160 14.379 572 HZ3 LYS 69 3HZ LYS 69 9.398 -2.704 15.968 573 H GLN 70 H GLN 70 7.418 0.694 12.450 574 HA GLN 70 HA GLN 70 6.924 -2.001 11.766 575 HB2 GLN 70 2HB GLN 70 4.954 0.192 12.524 576 HB3 GLN 70 1HB GLN 70 4.534 -1.515 12.401 577 HG2 GLN 70 2HG GLN 70 6.114 -2.026 14.222 578 HG3 GLN 70 1HG GLN 70 6.511 -0.314 14.351 579 HE21 GLN 70 1HE2 GLN 70 3.259 -1.638 13.792 580 HE22 GLN 70 2HE2 GLN 70 2.607 -1.100 15.293 581 H THR 71 H THR 71 5.728 1.043 10.333 582 HA THR 71 HA THR 71 4.001 -0.257 8.496 583 HB THR 71 HB THR 71 3.697 2.120 9.362 584 HG1 THR 71 HG1 THR 71 3.465 1.400 6.635 585 HG21 THR 71 1HG2 THR 71 4.660 3.971 8.088 586 HG22 THR 71 2HG2 THR 71 5.633 2.846 7.138 587 HG23 THR 71 3HG2 THR 71 5.942 3.040 8.863 588 H LEU 72 H LEU 72 7.345 0.899 8.287 589 HA LEU 72 HA LEU 72 7.726 0.617 5.493 590 HB2 LEU 72 2HB LEU 72 9.700 0.467 7.803 591 HB3 LEU 72 1HB LEU 72 10.206 0.360 6.125 592 HG LEU 72 HG LEU 72 8.793 2.766 7.338 593 HD11 LEU 72 1HD1 LEU 72 11.740 2.410 6.695 594 HD12 LEU 72 2HD1 LEU 72 11.027 2.485 8.309 595 HD13 LEU 72 3HD1 LEU 72 10.964 3.896 7.256 596 HD21 LEU 72 1HD2 LEU 72 8.346 2.569 4.953 597 HD22 LEU 72 2HD2 LEU 72 10.069 2.386 4.610 598 HD23 LEU 72 3HD2 LEU 72 9.451 3.910 5.250 599 H ASP 73 H ASP 73 8.154 -1.618 8.203 600 HA ASP 73 HA ASP 73 9.291 -3.783 6.766 601 HB2 ASP 73 2HB ASP 73 9.450 -3.548 9.231 602 HB3 ASP 73 1HB ASP 73 7.713 -3.776 9.378 603 H ASN 74 H ASN 74 5.927 -3.096 7.770 604 HA ASN 74 HA ASN 74 4.756 -5.454 6.687 605 HB2 ASN 74 2HB ASN 74 3.481 -2.778 7.396 606 HB3 ASN 74 1HB ASN 74 2.573 -4.230 6.987 607 HD21 ASN 74 1HD2 ASN 74 4.339 -6.055 8.482 608 HD22 ASN 74 2HD2 ASN 74 3.998 -5.764 10.147 609 H GLU 75 H GLU 75 5.225 -2.187 5.436 610 HA GLU 75 HA GLU 75 3.675 -2.495 3.035 611 HB2 GLU 75 2HB GLU 75 3.957 -0.363 4.224 612 HB3 GLU 75 1HB GLU 75 5.684 -0.387 3.919 613 HG2 GLU 75 2HG GLU 75 5.364 0.066 1.598 614 HG3 GLU 75 1HG GLU 75 3.629 -0.232 1.710 615 H GLN 76 H GLN 76 7.017 -3.002 3.918 616 HA GLN 76 HA GLN 76 8.110 -3.418 1.312 617 HB2 GLN 76 2HB GLN 76 9.500 -3.046 3.333 618 HB3 GLN 76 1HB GLN 76 8.936 -4.567 4.012 619 HG2 GLN 76 2HG GLN 76 10.029 -5.757 2.090 620 HG3 GLN 76 1HG GLN 76 10.686 -4.209 1.563 621 HE21 GLN 76 1HE2 GLN 76 10.373 -5.245 4.937 622 HE22 GLN 76 2HE2 GLN 76 12.062 -5.379 5.242 623 H LEU 77 H LEU 77 6.646 -5.554 3.750 624 HA LEU 77 HA LEU 77 6.757 -7.982 2.308 625 HB2 LEU 77 2HB LEU 77 4.919 -7.048 4.540 626 HB3 LEU 77 1HB LEU 77 4.923 -8.695 3.925 627 HG LEU 77 HG LEU 77 7.335 -7.342 5.185 628 HD11 LEU 77 1HD1 LEU 77 5.588 -7.626 6.862 629 HD12 LEU 77 2HD1 LEU 77 6.931 -8.726 7.161 630 HD13 LEU 77 3HD1 LEU 77 5.434 -9.337 6.447 631 HD21 LEU 77 1HD2 LEU 77 7.979 -9.068 3.604 632 HD22 LEU 77 2HD2 LEU 77 6.881 -10.227 4.359 633 HD23 LEU 77 3HD2 LEU 77 8.283 -9.626 5.249 634 H LEU 78 H LEU 78 4.374 -5.350 2.332 635 HA LEU 78 HA LEU 78 2.386 -6.609 0.725 636 HB2 LEU 78 2HB LEU 78 3.079 -3.652 0.987 637 HB3 LEU 78 1HB LEU 78 1.629 -4.275 0.211 638 HG LEU 78 HG LEU 78 2.287 -4.646 3.153 639 HD11 LEU 78 1HD1 LEU 78 0.659 -2.928 3.631 640 HD12 LEU 78 2HD1 LEU 78 0.320 -2.704 1.912 641 HD13 LEU 78 3HD1 LEU 78 1.902 -2.272 2.567 642 HD21 LEU 78 1HD2 LEU 78 -0.267 -5.251 1.622 643 HD22 LEU 78 2HD2 LEU 78 -0.053 -5.385 3.370 644 HD23 LEU 78 3HD2 LEU 78 0.856 -6.439 2.292 645 H LYS 79 H LYS 79 5.155 -4.515 -0.028 646 HA LYS 79 HA LYS 79 4.910 -4.269 -2.784 647 HB2 LYS 79 2HB LYS 79 6.502 -2.962 -1.455 648 HB3 LYS 79 1HB LYS 79 7.413 -4.411 -1.046 649 HG2 LYS 79 2HG LYS 79 8.072 -4.654 -3.424 650 HG3 LYS 79 1HG LYS 79 7.179 -3.181 -3.816 651 HD2 LYS 79 2HD LYS 79 8.674 -1.827 -2.468 652 HD3 LYS 79 1HD LYS 79 9.449 -3.263 -1.792 653 HE2 LYS 79 2HE LYS 79 10.853 -2.164 -3.502 654 HE3 LYS 79 1HE LYS 79 10.419 -3.808 -3.969 655 HZ1 LYS 79 1HZ LYS 79 10.239 -2.169 -5.786 656 HZ2 LYS 79 2HZ LYS 79 9.011 -1.383 -4.937 657 HZ3 LYS 79 3HZ LYS 79 8.785 -2.966 -5.471 658 H GLY 80 H GLY 80 6.714 -6.782 -0.943 659 HA2 GLY 80 2HA GLY 80 7.556 -8.325 -3.176 660 HA3 GLY 80 1HA GLY 80 7.494 -8.869 -1.509 661 H LEU 81 H LEU 81 4.879 -8.842 -0.880 662 HA LEU 81 HA LEU 81 3.980 -11.323 -1.855 663 HB2 LEU 81 2HB LEU 81 3.537 -10.241 0.404 664 HB3 LEU 81 1HB LEU 81 2.335 -9.232 -0.364 665 HG LEU 81 HG LEU 81 2.113 -12.279 -0.291 666 HD11 LEU 81 1HD1 LEU 81 0.922 -10.298 1.687 667 HD12 LEU 81 2HD1 LEU 81 2.223 -11.445 2.018 668 HD13 LEU 81 3HD1 LEU 81 0.611 -12.037 1.637 669 HD21 LEU 81 1HD2 LEU 81 -0.296 -11.872 -0.656 670 HD22 LEU 81 2HD2 LEU 81 0.676 -11.231 -1.975 671 HD23 LEU 81 3HD2 LEU 81 0.010 -10.134 -0.764 672 H LEU 82 H LEU 82 2.554 -8.070 -2.301 673 HA LEU 82 HA LEU 82 0.553 -8.861 -4.115 674 HB2 LEU 82 2HB LEU 82 1.748 -6.082 -3.801 675 HB3 LEU 82 1HB LEU 82 0.228 -6.463 -4.594 676 HG LEU 82 HG LEU 82 0.827 -6.742 -1.623 677 HD11 LEU 82 1HD1 LEU 82 0.542 -4.417 -2.305 678 HD12 LEU 82 2HD1 LEU 82 -0.833 -4.943 -1.339 679 HD13 LEU 82 3HD1 LEU 82 -0.992 -4.803 -3.092 680 HD21 LEU 82 1HD2 LEU 82 -0.676 -8.539 -2.340 681 HD22 LEU 82 2HD2 LEU 82 -1.758 -7.360 -3.083 682 HD23 LEU 82 3HD2 LEU 82 -1.523 -7.365 -1.335 683 H GLN 83 H GLN 83 3.955 -7.861 -4.656 684 HA GLN 83 HA GLN 83 3.821 -7.480 -7.452 685 HB2 GLN 83 2HB GLN 83 5.795 -6.843 -6.156 686 HB3 GLN 83 1HB GLN 83 6.132 -8.526 -5.769 687 HG2 GLN 83 2HG GLN 83 6.755 -9.014 -8.026 688 HG3 GLN 83 1HG GLN 83 6.126 -7.475 -8.605 689 HE21 GLN 83 1HE2 GLN 83 8.092 -7.840 -5.682 690 HE22 GLN 83 2HE2 GLN 83 9.457 -6.982 -6.292 691 H GLN 84 H GLN 84 4.396 -10.436 -5.561 692 HA GLN 84 HA GLN 84 4.674 -12.263 -7.696 693 HB2 GLN 84 2HB GLN 84 3.459 -12.744 -4.943 694 HB3 GLN 84 1HB GLN 84 4.033 -14.000 -6.042 695 HG2 GLN 84 2HG GLN 84 6.319 -13.173 -5.858 696 HG3 GLN 84 1HG GLN 84 5.783 -11.830 -4.854 697 HE21 GLN 84 1HE2 GLN 84 4.647 -15.184 -4.561 698 HE22 GLN 84 2HE2 GLN 84 5.343 -15.452 -3.006 699 H ARG 85 H ARG 85 1.792 -11.131 -5.947 700 HA ARG 85 HA ARG 85 -0.133 -12.774 -7.204 701 HB2 ARG 85 2HB ARG 85 -0.642 -9.999 -6.060 702 HB3 ARG 85 1HB ARG 85 -1.814 -11.295 -6.251 703 HG2 ARG 85 2HG ARG 85 0.541 -11.320 -4.348 704 HG3 ARG 85 1HG ARG 85 -1.125 -10.966 -3.909 705 HD2 ARG 85 2HD ARG 85 -0.792 -13.191 -3.241 706 HD3 ARG 85 1HD ARG 85 -1.680 -13.327 -4.753 707 HE ARG 85 HE ARG 85 0.516 -13.857 -5.817 708 HH11 ARG 85 1HH1 ARG 85 0.100 -14.484 -2.362 709 HH12 ARG 85 2HH1 ARG 85 1.309 -15.726 -2.338 710 HH21 ARG 85 1HH2 ARG 85 2.045 -15.519 -5.763 711 HH22 ARG 85 2HH2 ARG 85 2.410 -16.313 -4.259 712 H LEU 86 H LEU 86 0.968 -9.481 -7.943 713 HA LEU 86 HA LEU 86 -0.832 -8.882 -10.026 714 HB2 LEU 86 2HB LEU 86 1.906 -7.733 -9.344 715 HB3 LEU 86 1HB LEU 86 0.902 -7.092 -10.634 716 HG LEU 86 HG LEU 86 0.138 -7.131 -7.687 717 HD11 LEU 86 1HD1 LEU 86 0.992 -4.786 -9.414 718 HD12 LEU 86 2HD1 LEU 86 1.957 -5.540 -8.142 719 HD13 LEU 86 3HD1 LEU 86 0.459 -4.708 -7.731 720 HD21 LEU 86 1HD2 LEU 86 -1.309 -5.962 -10.081 721 HD22 LEU 86 2HD2 LEU 86 -1.741 -5.676 -8.394 722 HD23 LEU 86 3HD2 LEU 86 -1.844 -7.302 -9.061 723 H ASP 87 H ASP 87 2.396 -10.322 -9.995 724 HA ASP 87 HA ASP 87 2.937 -10.358 -12.759 725 HB2 ASP 87 2HB ASP 87 4.648 -10.771 -10.985 726 HB3 ASP 87 1HB ASP 87 3.885 -12.310 -10.602 727 H GLU 88 H GLU 88 1.426 -12.749 -10.618 728 HA GLU 88 HA GLU 88 0.934 -14.769 -12.548 729 HB2 GLU 88 2HB GLU 88 -0.453 -14.182 -9.902 730 HB3 GLU 88 1HB GLU 88 -0.654 -15.670 -10.828 731 HG2 GLU 88 2HG GLU 88 1.658 -16.277 -10.513 732 HG3 GLU 88 1HG GLU 88 2.030 -14.711 -9.795 733 H LEU 89 H LEU 89 -1.181 -12.196 -11.218 734 HA LEU 89 HA LEU 89 -3.482 -12.714 -12.752 735 HB2 LEU 89 2HB LEU 89 -2.512 -10.054 -11.618 736 HB3 LEU 89 1HB LEU 89 -4.120 -10.327 -12.269 737 HG LEU 89 HG LEU 89 -2.972 -11.679 -9.795 738 HD11 LEU 89 1HD1 LEU 89 -5.096 -9.520 -10.003 739 HD12 LEU 89 2HD1 LEU 89 -3.445 -9.303 -9.415 740 HD13 LEU 89 3HD1 LEU 89 -4.569 -10.325 -8.520 741 HD21 LEU 89 1HD2 LEU 89 -5.238 -12.575 -9.434 742 HD22 LEU 89 2HD2 LEU 89 -4.536 -13.175 -10.934 743 HD23 LEU 89 3HD2 LEU 89 -5.759 -11.901 -10.981 744 H SER 90 H SER 90 -0.568 -10.882 -13.471 745 HA SER 90 HA SER 90 -1.467 -9.544 -15.825 746 HB2 SER 90 2HB SER 90 0.474 -8.798 -14.428 747 HB3 SER 90 1HB SER 90 1.388 -10.206 -14.962 748 HG SER 90 HG SER 90 1.450 -7.945 -16.091 749 H SER 91 H SER 91 0.117 -12.643 -15.194 750 HA SER 91 HA SER 91 0.596 -13.402 -17.901 751 HB2 SER 91 2HB SER 91 1.782 -14.499 -16.051 752 HB3 SER 91 1HB SER 91 0.263 -15.105 -15.396 753 HG SER 91 HG SER 91 0.349 -16.709 -16.754 754 H LEU 92 H LEU 92 -2.130 -13.799 -15.666 755 HA LEU 92 HA LEU 92 -3.738 -15.491 -17.284 756 HB2 LEU 92 2HB LEU 92 -4.641 -13.499 -15.154 757 HB3 LEU 92 1HB LEU 92 -5.598 -14.829 -15.788 758 HG LEU 92 HG LEU 92 -3.095 -15.066 -14.077 759 HD11 LEU 92 1HD1 LEU 92 -5.072 -14.412 -12.798 760 HD12 LEU 92 2HD1 LEU 92 -4.558 -16.045 -12.382 761 HD13 LEU 92 3HD1 LEU 92 -5.960 -15.803 -13.429 762 HD21 LEU 92 1HD2 LEU 92 -4.747 -17.307 -15.280 763 HD22 LEU 92 2HD2 LEU 92 -3.446 -17.503 -14.101 764 HD23 LEU 92 3HD2 LEU 92 -3.088 -16.876 -15.707 765 H ILE 93 H ILE 93 -3.844 -11.979 -16.719 766 HA ILE 93 HA ILE 93 -5.927 -11.255 -18.443 767 HB ILE 93 HB ILE 93 -3.546 -9.607 -17.458 768 HG12 ILE 93 2HG1 ILE 93 -6.404 -9.629 -16.383 769 HG13 ILE 93 1HG1 ILE 93 -5.093 -10.572 -15.683 770 HG21 ILE 93 1HG2 ILE 93 -4.537 -8.507 -19.426 771 HG22 ILE 93 2HG2 ILE 93 -4.862 -7.579 -17.965 772 HG23 ILE 93 3HG2 ILE 93 -6.135 -8.574 -18.677 773 HD11 ILE 93 1HD1 ILE 93 -5.211 -7.568 -15.876 774 HD12 ILE 93 2HD1 ILE 93 -3.868 -8.503 -15.209 775 HD13 ILE 93 3HD1 ILE 93 -5.448 -8.551 -14.431 776 H GLY 94 H GLY 94 -2.409 -11.404 -18.993 777 HA2 GLY 94 2HA GLY 94 -2.244 -10.220 -21.512 778 HA3 GLY 94 1HA GLY 94 -1.132 -11.431 -20.893 779 H GLN 95 H GLN 95 -3.132 -13.535 -20.652 780 HA GLN 95 HA GLN 95 -3.121 -14.458 -23.424 781 HB2 GLN 95 2HB GLN 95 -3.996 -15.917 -20.892 782 HB3 GLN 95 1HB GLN 95 -3.776 -16.650 -22.475 783 HG2 GLN 95 2HG GLN 95 -1.589 -15.422 -20.768 784 HG3 GLN 95 1HG GLN 95 -1.902 -17.143 -20.971 785 HE21 GLN 95 1HE2 GLN 95 -1.327 -18.145 -22.950 786 HE22 GLN 95 2HE2 GLN 95 -0.238 -17.401 -24.066 787 H VAL 96 H VAL 96 -5.524 -13.639 -20.903 788 HA VAL 96 HA VAL 96 -7.717 -14.772 -22.488 789 HB VAL 96 HB VAL 96 -9.120 -14.548 -20.516 790 HG11 VAL 96 1HG1 VAL 96 -6.406 -15.710 -19.796 791 HG12 VAL 96 2HG1 VAL 96 -7.695 -16.536 -20.675 792 HG13 VAL 96 3HG1 VAL 96 -7.936 -16.076 -18.990 793 HG21 VAL 96 1HG2 VAL 96 -8.335 -12.411 -19.604 794 HG22 VAL 96 2HG2 VAL 96 -6.787 -13.129 -19.168 795 HG23 VAL 96 3HG2 VAL 96 -8.261 -13.656 -18.355 796 H LEU 97 H LEU 97 -6.617 -11.584 -21.433 797 HA LEU 97 HA LEU 97 -8.947 -10.189 -22.462 798 HB2 LEU 97 2HB LEU 97 -7.508 -9.340 -20.548 799 HB3 LEU 97 1HB LEU 97 -6.221 -9.034 -21.690 800 HG LEU 97 HG LEU 97 -8.931 -7.641 -21.915 801 HD11 LEU 97 1HD1 LEU 97 -8.027 -7.144 -19.687 802 HD12 LEU 97 2HD1 LEU 97 -7.988 -5.717 -20.718 803 HD13 LEU 97 3HD1 LEU 97 -6.501 -6.619 -20.404 804 HD21 LEU 97 1HD2 LEU 97 -7.539 -7.497 -23.936 805 HD22 LEU 97 2HD2 LEU 97 -6.200 -6.851 -22.988 806 HD23 LEU 97 3HD2 LEU 97 -7.689 -5.919 -23.163 807 H PHE 98 H PHE 98 -9.263 -10.199 -24.585 808 HA PHE 98 HA PHE 98 -7.022 -9.982 -26.485 809 HB2 PHE 98 2HB PHE 98 -9.986 -10.500 -27.014 810 HB3 PHE 98 1HB PHE 98 -8.686 -10.587 -28.201 811 HD1 PHE 98 HD1 PHE 98 -6.839 -12.352 -27.835 812 HD2 PHE 98 HD2 PHE 98 -10.570 -12.427 -25.743 813 HE1 PHE 98 HE1 PHE 98 -6.495 -14.726 -27.288 814 HE2 PHE 98 HE2 PHE 98 -10.213 -14.799 -25.205 815 HZ PHE 98 HZ PHE 98 -8.178 -15.950 -25.974 816 H GLN 99 H GLN 99 -6.447 -7.925 -26.859 817 HA GLN 99 HA GLN 99 -8.478 -5.774 -26.874 818 HB2 GLN 99 2HB GLN 99 -6.450 -4.228 -26.583 819 HB3 GLN 99 1HB GLN 99 -6.875 -5.239 -25.214 820 HG2 GLN 99 2HG GLN 99 -4.516 -5.278 -25.315 821 HG3 GLN 99 1HG GLN 99 -5.040 -6.834 -25.950 822 HE21 GLN 99 1HE2 GLN 99 -3.111 -7.177 -27.063 823 HE22 GLN 99 2HE2 GLN 99 -2.655 -6.267 -28.460 824 H GLY 100 H GLY 100 -6.685 -7.672 -28.996 825 HA2 GLY 100 2HA GLY 100 -7.382 -6.103 -31.276 826 HA3 GLY 100 1HA GLY 100 -5.665 -5.958 -30.918 827 HA PRO 101 HA PRO 101 -5.082 -9.878 -33.019 828 HB2 PRO 101 2HB PRO 101 -2.781 -10.825 -31.995 829 HB3 PRO 101 1HB PRO 101 -2.809 -9.261 -32.839 830 HG2 PRO 101 2HG PRO 101 -2.822 -9.800 -29.885 831 HG3 PRO 101 1HG PRO 101 -1.870 -8.613 -30.803 832 HD2 PRO 101 2HD PRO 101 -4.210 -7.991 -29.466 833 HD3 PRO 101 1HD PRO 101 -3.595 -7.078 -30.863 834 H SER 102 H SER 102 -4.357 -12.285 -32.510 835 HA SER 102 HA SER 102 -4.819 -14.331 -31.701 836 HB2 SER 102 2HB SER 102 -5.126 -12.912 -29.024 837 HB3 SER 102 1HB SER 102 -4.877 -14.648 -29.250 838 HG SER 102 HG SER 102 -2.931 -13.698 -30.562 839 H ALA 103 H ALA 103 -7.018 -12.542 -32.635 840 HA ALA 103 HA ALA 103 -9.284 -14.230 -31.844 841 HB1 ALA 103 1HB ALA 103 -9.435 -12.263 -30.363 842 HB2 ALA 103 2HB ALA 103 -10.761 -12.272 -31.528 843 HB3 ALA 103 3HB ALA 103 -9.384 -11.191 -31.764 844 H GLY 104 H GLY 104 -10.837 -14.467 -33.469 845 HA2 GLY 104 2HA GLY 104 -10.057 -14.063 -36.172 846 HA3 GLY 104 1HA GLY 104 -11.641 -14.600 -35.623 847 H LEU 105 H LEU 105 -12.652 -12.586 -34.223 848 HA LEU 105 HA LEU 105 -13.034 -10.369 -36.041 849 HB2 LEU 105 2HB LEU 105 -14.528 -9.481 -34.168 850 HB3 LEU 105 1HB LEU 105 -14.993 -11.007 -34.884 851 HG LEU 105 HG LEU 105 -13.917 -12.147 -32.835 852 HD11 LEU 105 1HD1 LEU 105 -12.585 -10.301 -31.958 853 HD12 LEU 105 2HD1 LEU 105 -13.750 -10.854 -30.760 854 HD13 LEU 105 3HD1 LEU 105 -14.047 -9.360 -31.654 855 HD21 LEU 105 1HD2 LEU 105 -16.336 -12.018 -33.155 856 HD22 LEU 105 2HD2 LEU 105 -16.374 -10.423 -32.401 857 HD23 LEU 105 3HD2 LEU 105 -15.925 -11.841 -31.449 858 H VAL 106 H VAL 106 -12.823 -8.053 -35.184 859 HA VAL 106 HA VAL 106 -10.291 -7.624 -33.780 860 HB VAL 106 HB VAL 106 -12.251 -5.554 -34.904 861 HG11 VAL 106 1HG1 VAL 106 -9.372 -5.200 -33.965 862 HG12 VAL 106 2HG1 VAL 106 -10.812 -4.629 -33.121 863 HG13 VAL 106 3HG1 VAL 106 -10.382 -3.945 -34.688 864 HG21 VAL 106 1HG2 VAL 106 -9.683 -6.615 -36.155 865 HG22 VAL 106 2HG2 VAL 106 -10.698 -5.326 -36.811 866 HG23 VAL 106 3HG2 VAL 106 -11.324 -6.972 -36.703 867 HA PRO 107 HA PRO 107 -13.021 -7.391 -30.082 868 HB2 PRO 107 2HB PRO 107 -11.162 -8.040 -28.210 869 HB3 PRO 107 1HB PRO 107 -11.854 -9.263 -29.299 870 HG2 PRO 107 2HG PRO 107 -9.211 -7.856 -29.483 871 HG3 PRO 107 1HG PRO 107 -9.591 -9.573 -29.751 872 HD2 PRO 107 2HD PRO 107 -9.299 -7.734 -31.786 873 HD3 PRO 107 1HD PRO 107 -10.277 -9.212 -31.919 874 H ARG 108 H ARG 108 -13.557 -5.513 -29.211 875 HA ARG 108 HA ARG 108 -11.652 -3.675 -28.031 876 HB2 ARG 108 2HB ARG 108 -11.854 -3.161 -30.590 877 HB3 ARG 108 1HB ARG 108 -13.475 -2.591 -30.222 878 HG2 ARG 108 2HG ARG 108 -11.848 -0.750 -30.375 879 HG3 ARG 108 1HG ARG 108 -12.572 -0.850 -28.766 880 HD2 ARG 108 2HD ARG 108 -10.057 -0.424 -28.828 881 HD3 ARG 108 1HD ARG 108 -10.581 -1.774 -27.822 882 HE ARG 108 HE ARG 108 -9.623 -3.286 -29.325 883 HH11 ARG 108 1HH1 ARG 108 -9.161 -0.000 -30.529 884 HH12 ARG 108 2HH1 ARG 108 -7.956 -0.475 -31.681 885 HH21 ARG 108 1HH2 ARG 108 -8.037 -3.866 -30.808 886 HH22 ARG 108 2HH2 ARG 108 -7.321 -2.670 -31.837 887 H GLY 109 H GLY 109 -13.501 -5.322 -26.940 888 HA2 GLY 109 2HA GLY 109 -16.024 -4.299 -26.319 889 HA3 GLY 109 1HA GLY 109 -15.077 -5.367 -25.297 890 H SER 110 H SER 110 -12.845 -3.462 -25.121 891 HA SER 110 HA SER 110 -12.002 -1.911 -23.721 892 HB2 SER 110 2HB SER 110 -13.076 0.378 -23.898 893 HB3 SER 110 1HB SER 110 -12.771 -0.385 -25.453 894 HG SER 110 HG SER 110 -14.896 -0.682 -25.742 895 H GLY 111 H GLY 111 -13.603 -3.857 -22.440 896 HA2 GLY 111 2HA GLY 111 -14.175 -4.272 -20.215 897 HA3 GLY 111 1HA GLY 111 -14.300 -2.542 -19.923 898 H GLY 112 H GLY 112 -15.853 -4.636 -22.353 899 HA2 GLY 112 2HA GLY 112 -18.433 -4.737 -21.196 900 HA3 GLY 112 1HA GLY 112 -18.350 -3.402 -22.348 901 H ILE 113 H ILE 113 -17.410 -6.840 -22.112 902 HA ILE 113 HA ILE 113 -17.995 -7.244 -24.985 903 HB ILE 113 HB ILE 113 -16.543 -9.174 -23.092 904 HG12 ILE 113 2HG1 ILE 113 -14.444 -8.431 -24.511 905 HG13 ILE 113 1HG1 ILE 113 -15.379 -6.986 -24.856 906 HG21 ILE 113 1HG2 ILE 113 -16.717 -9.144 -26.132 907 HG22 ILE 113 2HG2 ILE 113 -17.531 -10.278 -25.051 908 HG23 ILE 113 3HG2 ILE 113 -15.772 -10.284 -25.169 909 HD11 ILE 113 1HD1 ILE 113 -14.518 -7.947 -22.127 910 HD12 ILE 113 2HD1 ILE 113 -15.467 -6.491 -22.448 911 HD13 ILE 113 3HD1 ILE 113 -13.813 -6.617 -23.048 912 H GLU 114 H GLU 114 -19.435 -9.000 -25.608 913 HA GLU 114 HA GLU 114 -21.413 -9.749 -23.589 914 HB2 GLU 114 2HB GLU 114 -22.776 -10.657 -25.442 915 HB3 GLU 114 1HB GLU 114 -22.338 -8.985 -25.710 916 HG2 GLU 114 2HG GLU 114 -21.006 -11.346 -27.066 917 HG3 GLU 114 1HG GLU 114 -22.318 -10.407 -27.765 918 H GLY 115 H GLY 115 -20.803 -11.353 -22.303 919 HA2 GLY 115 2HA GLY 115 -21.028 -13.953 -22.627 920 HA3 GLY 115 1HA GLY 115 -19.418 -13.746 -23.317 921 H SER 428 H SER 428 -19.339 -15.387 -21.376 922 HA SER 428 HA SER 428 -18.953 -14.316 -18.743 923 HB2 SER 428 2HB SER 428 -19.485 -16.727 -19.201 924 HB3 SER 428 1HB SER 428 -17.891 -16.930 -19.922 925 HG SER 428 HG SER 428 -17.233 -16.012 -17.694 926 H ILE 429 H ILE 429 -17.043 -14.456 -21.618 927 HA ILE 429 HA ILE 429 -14.426 -14.258 -20.698 928 HB ILE 429 HB ILE 429 -14.886 -14.617 -23.038 929 HG12 ILE 429 2HG1 ILE 429 -12.748 -13.223 -22.348 930 HG13 ILE 429 1HG1 ILE 429 -13.138 -13.427 -24.043 931 HG21 ILE 429 1HG2 ILE 429 -15.806 -12.907 -24.560 932 HG22 ILE 429 2HG2 ILE 429 -16.115 -11.857 -23.174 933 HG23 ILE 429 3HG2 ILE 429 -16.953 -13.404 -23.311 934 HD11 ILE 429 1HD1 ILE 429 -13.687 -10.947 -22.402 935 HD12 ILE 429 2HD1 ILE 429 -14.019 -11.145 -24.125 936 HD13 ILE 429 3HD1 ILE 429 -12.357 -11.175 -23.538 937 H ASP 430 H ASP 430 -16.864 -11.677 -21.087 938 HA ASP 430 HA ASP 430 -15.305 -9.421 -20.523 939 HB2 ASP 430 2HB ASP 430 -17.577 -9.190 -21.367 940 HB3 ASP 430 1HB ASP 430 -18.244 -9.964 -19.938 941 H GLU 431 H GLU 431 -17.163 -11.514 -18.361 942 HA GLU 431 HA GLU 431 -16.788 -10.001 -16.001 943 HB2 GLU 431 2HB GLU 431 -17.670 -12.883 -16.440 944 HB3 GLU 431 1HB GLU 431 -17.724 -12.071 -14.875 945 HG2 GLU 431 2HG GLU 431 -19.377 -10.518 -15.609 946 HG3 GLU 431 1HG GLU 431 -19.135 -10.935 -17.302 947 H THR 432 H THR 432 -15.255 -13.102 -17.052 948 HA THR 432 HA THR 432 -13.616 -13.357 -14.766 949 HB THR 432 HB THR 432 -14.135 -15.290 -16.201 950 HG1 THR 432 HG1 THR 432 -12.146 -15.140 -14.865 951 HG21 THR 432 1HG2 THR 432 -12.976 -15.688 -18.329 952 HG22 THR 432 2HG2 THR 432 -12.204 -14.104 -18.229 953 HG23 THR 432 3HG2 THR 432 -13.953 -14.219 -18.435 954 H VAL 433 H VAL 433 -12.954 -11.855 -17.940 955 HA VAL 433 HA VAL 433 -10.243 -11.155 -17.463 956 HB VAL 433 HB VAL 433 -12.338 -9.950 -19.323 957 HG11 VAL 433 1HG1 VAL 433 -10.506 -8.737 -20.475 958 HG12 VAL 433 2HG1 VAL 433 -9.386 -9.228 -19.204 959 HG13 VAL 433 3HG1 VAL 433 -10.739 -8.161 -18.822 960 HG21 VAL 433 1HG2 VAL 433 -9.925 -11.711 -19.897 961 HG22 VAL 433 2HG2 VAL 433 -11.061 -11.096 -21.099 962 HG23 VAL 433 3HG2 VAL 433 -11.609 -12.242 -19.874 963 H ALA 434 H ALA 434 -13.305 -9.418 -16.906 964 HA ALA 434 HA ALA 434 -12.226 -6.960 -16.011 965 HB1 ALA 434 1HB ALA 434 -14.550 -7.191 -16.786 966 HB2 ALA 434 2HB ALA 434 -14.490 -6.482 -15.172 967 HB3 ALA 434 3HB ALA 434 -14.936 -8.180 -15.378 968 H ARG 435 H ARG 435 -12.893 -9.987 -14.348 969 HA ARG 435 HA ARG 435 -12.727 -8.995 -11.674 970 HB2 ARG 435 2HB ARG 435 -12.366 -11.805 -12.803 971 HB3 ARG 435 1HB ARG 435 -12.352 -11.442 -11.080 972 HG2 ARG 435 2HG ARG 435 -14.685 -11.043 -12.975 973 HG3 ARG 435 1HG ARG 435 -14.531 -12.303 -11.754 974 HD2 ARG 435 2HD ARG 435 -14.637 -10.648 -9.972 975 HD3 ARG 435 1HD ARG 435 -14.637 -9.323 -11.141 976 HE ARG 435 HE ARG 435 -16.850 -11.162 -10.538 977 HH11 ARG 435 1HH1 ARG 435 -15.726 -8.361 -12.356 978 HH12 ARG 435 2HH1 ARG 435 -17.324 -7.867 -12.812 979 HH21 ARG 435 1HH2 ARG 435 -18.944 -10.474 -11.134 980 HH22 ARG 435 2HH2 ARG 435 -19.133 -9.057 -12.120 981 H TYR 436 H TYR 436 -10.391 -10.827 -13.716 982 HA TYR 436 HA TYR 436 -8.233 -10.566 -11.871 983 HB2 TYR 436 2HB TYR 436 -8.195 -11.231 -14.843 984 HB3 TYR 436 1HB TYR 436 -6.789 -11.349 -13.786 985 HD1 TYR 436 HD1 TYR 436 -7.654 -12.633 -11.376 986 HD2 TYR 436 HD2 TYR 436 -8.987 -13.406 -15.363 987 HE1 TYR 436 HE1 TYR 436 -8.294 -14.912 -10.724 988 HE2 TYR 436 HE2 TYR 436 -9.626 -15.685 -14.701 989 HH TYR 436 HH TYR 436 -9.814 -16.681 -11.454 990 H LYS 437 H LYS 437 -9.399 -8.483 -14.435 991 HA LYS 437 HA LYS 437 -7.036 -6.864 -14.687 992 HB2 LYS 437 2HB LYS 437 -8.659 -7.079 -16.550 993 HB3 LYS 437 1HB LYS 437 -9.899 -6.286 -15.586 994 HG2 LYS 437 2HG LYS 437 -8.628 -4.195 -15.603 995 HG3 LYS 437 1HG LYS 437 -7.291 -4.983 -16.444 996 HD2 LYS 437 2HD LYS 437 -8.750 -5.367 -18.412 997 HD3 LYS 437 1HD LYS 437 -10.094 -4.596 -17.565 998 HE2 LYS 437 2HE LYS 437 -8.999 -3.077 -19.198 999 HE3 LYS 437 1HE LYS 437 -8.905 -2.456 -17.549 1000 HZ1 LYS 437 1HZ LYS 437 -6.716 -3.848 -19.020 1001 HZ2 LYS 437 2HZ LYS 437 -6.614 -3.302 -17.426 1002 HZ3 LYS 437 3HZ LYS 437 -6.795 -2.193 -18.687 1003 H ALA 438 H ALA 438 -10.155 -6.533 -12.974 1004 HA ALA 438 HA ALA 438 -9.679 -3.961 -11.864 1005 HB1 ALA 438 1HB ALA 438 -11.524 -4.460 -10.330 1006 HB2 ALA 438 2HB ALA 438 -11.466 -6.167 -10.781 1007 HB3 ALA 438 3HB ALA 438 -11.932 -4.953 -11.973 1008 H GLN 439 H GLN 439 -9.215 -7.260 -10.526 1009 HA GLN 439 HA GLN 439 -8.222 -6.507 -7.998 1010 HB2 GLN 439 2HB GLN 439 -7.683 -9.044 -9.592 1011 HB3 GLN 439 1HB GLN 439 -7.234 -8.823 -7.906 1012 HG2 GLN 439 2HG GLN 439 -10.021 -8.981 -9.066 1013 HG3 GLN 439 1HG GLN 439 -9.241 -10.117 -7.973 1014 HE21 GLN 439 1HE2 GLN 439 -10.998 -7.161 -8.244 1015 HE22 GLN 439 2HE2 GLN 439 -11.186 -6.872 -6.551 1016 H PHE 440 H PHE 440 -6.541 -7.159 -11.073 1017 HA PHE 440 HA PHE 440 -3.893 -6.832 -10.242 1018 HB2 PHE 440 2HB PHE 440 -4.524 -7.635 -12.510 1019 HB3 PHE 440 1HB PHE 440 -5.121 -6.033 -12.921 1020 HD1 PHE 440 HD1 PHE 440 -2.064 -8.013 -12.182 1021 HD2 PHE 440 HD2 PHE 440 -3.582 -4.285 -13.630 1022 HE1 PHE 440 HE1 PHE 440 0.177 -7.403 -12.985 1023 HE2 PHE 440 HE2 PHE 440 -1.332 -3.689 -14.430 1024 HZ PHE 440 HZ PHE 440 0.546 -5.247 -14.106 1025 H THR 441 H THR 441 -6.112 -4.399 -11.622 1026 HA THR 441 HA THR 441 -4.372 -2.207 -11.550 1027 HB THR 441 HB THR 441 -7.420 -2.280 -11.602 1028 HG1 THR 441 HG1 THR 441 -6.135 -3.366 -13.307 1029 HG21 THR 441 1HG2 THR 441 -6.631 0.003 -11.030 1030 HG22 THR 441 2HG2 THR 441 -7.307 -0.047 -12.659 1031 HG23 THR 441 3HG2 THR 441 -5.556 -0.013 -12.432 1032 H GLN 442 H GLN 442 -6.578 -3.434 -9.086 1033 HA GLN 442 HA GLN 442 -6.492 -1.124 -7.363 1034 HB2 GLN 442 2HB GLN 442 -7.490 -3.969 -6.955 1035 HB3 GLN 442 1HB GLN 442 -7.619 -2.719 -5.718 1036 HG2 GLN 442 2HG GLN 442 -9.082 -1.390 -7.092 1037 HG3 GLN 442 1HG GLN 442 -8.802 -2.418 -8.491 1038 HE21 GLN 442 1HE2 GLN 442 -9.067 -4.933 -7.041 1039 HE22 GLN 442 2HE2 GLN 442 -10.737 -5.102 -6.646 1040 H LEU 443 H LEU 443 -4.981 -4.394 -7.179 1041 HA LEU 443 HA LEU 443 -3.337 -3.790 -4.911 1042 HB2 LEU 443 2HB LEU 443 -3.291 -6.002 -6.987 1043 HB3 LEU 443 1HB LEU 443 -1.990 -5.858 -5.824 1044 HG LEU 443 HG LEU 443 -3.572 -6.257 -3.959 1045 HD11 LEU 443 1HD1 LEU 443 -5.625 -5.310 -4.919 1046 HD12 LEU 443 2HD1 LEU 443 -5.876 -6.941 -4.306 1047 HD13 LEU 443 3HD1 LEU 443 -5.729 -6.667 -6.043 1048 HD21 LEU 443 1HD2 LEU 443 -4.037 -8.639 -4.409 1049 HD22 LEU 443 2HD2 LEU 443 -2.426 -8.178 -4.954 1050 HD23 LEU 443 3HD2 LEU 443 -3.727 -8.378 -6.129 1051 H ASP 444 H ASP 444 -3.092 -3.060 -8.272 1052 HA ASP 444 HA ASP 444 -0.225 -2.658 -8.431 1053 HB2 ASP 444 2HB ASP 444 -1.367 -3.410 -10.431 1054 HB3 ASP 444 1HB ASP 444 -2.510 -2.078 -10.361 1055 H THR 445 H THR 445 -3.122 -0.553 -8.246 1056 HA THR 445 HA THR 445 -1.613 1.887 -8.305 1057 HB THR 445 HB THR 445 -3.987 1.903 -8.991 1058 HG1 THR 445 HG1 THR 445 -3.489 3.553 -6.713 1059 HG21 THR 445 1HG2 THR 445 -4.944 0.314 -7.362 1060 HG22 THR 445 2HG2 THR 445 -5.819 1.846 -7.355 1061 HG23 THR 445 3HG2 THR 445 -4.677 1.479 -6.061 1062 H MET 446 H MET 446 -2.919 -0.224 -5.767 1063 HA MET 446 HA MET 446 -2.145 1.204 -3.497 1064 HB2 MET 446 2HB MET 446 -3.506 -0.923 -3.448 1065 HB3 MET 446 1HB MET 446 -2.048 -1.835 -3.824 1066 HG2 MET 446 2HG MET 446 -1.017 -1.003 -1.729 1067 HG3 MET 446 1HG MET 446 -2.511 -0.146 -1.353 1068 HE1 MET 446 1HE MET 446 -2.655 -1.274 1.025 1069 HE2 MET 446 2HE MET 446 -1.121 -2.087 0.699 1070 HE3 MET 446 3HE MET 446 -2.501 -3.008 1.290 1071 H MET 447 H MET 447 -0.350 -1.105 -5.535 1072 HA MET 447 HA MET 447 2.015 -1.235 -4.039 1073 HB2 MET 447 2HB MET 447 1.602 -2.928 -5.679 1074 HB3 MET 447 1HB MET 447 1.518 -1.754 -6.986 1075 HG2 MET 447 2HG MET 447 3.843 -1.485 -7.070 1076 HG3 MET 447 1HG MET 447 4.076 -2.033 -5.413 1077 HE1 MET 447 1HE MET 447 3.615 -5.842 -5.669 1078 HE2 MET 447 2HE MET 447 2.379 -4.654 -5.278 1079 HE3 MET 447 3HE MET 447 4.013 -4.478 -4.632 1080 H SER 448 H SER 448 1.357 0.752 -6.956 1081 HA SER 448 HA SER 448 3.868 1.977 -7.145 1082 HB2 SER 448 2HB SER 448 2.622 3.742 -8.485 1083 HB3 SER 448 1HB SER 448 2.342 2.081 -9.005 1084 HG SER 448 HG SER 448 0.339 2.139 -8.234 1085 H LYS 449 H LYS 449 0.941 2.961 -5.391 1086 HA LYS 449 HA LYS 449 1.996 5.412 -4.400 1087 HB2 LYS 449 2HB LYS 449 -0.325 3.712 -3.427 1088 HB3 LYS 449 1HB LYS 449 0.072 5.302 -2.776 1089 HG2 LYS 449 2HG LYS 449 -0.160 6.191 -5.172 1090 HG3 LYS 449 1HG LYS 449 -0.857 4.624 -5.578 1091 HD2 LYS 449 2HD LYS 449 -2.710 6.047 -5.192 1092 HD3 LYS 449 1HD LYS 449 -2.584 5.069 -3.732 1093 HE2 LYS 449 2HE LYS 449 -1.502 7.893 -4.014 1094 HE3 LYS 449 1HE LYS 449 -3.053 7.481 -3.288 1095 HZ1 LYS 449 1HZ LYS 449 -1.825 6.161 -1.621 1096 HZ2 LYS 449 2HZ LYS 449 -1.437 7.795 -1.584 1097 HZ3 LYS 449 3HZ LYS 449 -0.367 6.704 -2.282 1098 H LEU 450 H LEU 450 1.839 2.113 -2.978 1099 HA LEU 450 HA LEU 450 2.922 2.980 -0.467 1100 HB2 LEU 450 2HB LEU 450 2.835 0.723 0.292 1101 HB3 LEU 450 1HB LEU 450 1.383 1.045 -0.616 1102 HG LEU 450 HG LEU 450 2.526 -0.265 -2.556 1103 HD11 LEU 450 1HD1 LEU 450 4.129 -2.019 -1.892 1104 HD12 LEU 450 2HD1 LEU 450 4.267 -1.285 -0.292 1105 HD13 LEU 450 3HD1 LEU 450 4.814 -0.404 -1.718 1106 HD21 LEU 450 1HD2 LEU 450 1.716 -2.413 -1.680 1107 HD22 LEU 450 2HD2 LEU 450 0.601 -1.102 -1.308 1108 HD23 LEU 450 3HD2 LEU 450 1.665 -1.734 -0.048 1109 H ASN 451 H ASN 451 4.288 2.106 -3.464 1110 HA ASN 451 HA ASN 451 6.941 1.422 -2.577 1111 HB2 ASN 451 2HB ASN 451 5.986 0.702 -4.794 1112 HB3 ASN 451 1HB ASN 451 5.984 2.378 -5.327 1113 HD21 ASN 451 1HD2 ASN 451 7.983 3.377 -5.824 1114 HD22 ASN 451 2HD2 ASN 451 9.421 2.456 -6.084 1115 H ASN 452 H ASN 452 5.379 4.276 -3.986 1116 HA ASN 452 HA ASN 452 7.524 6.100 -3.933 1117 HB2 ASN 452 2HB ASN 452 5.305 6.304 -5.184 1118 HB3 ASN 452 1HB ASN 452 4.549 6.755 -3.668 1119 HD21 ASN 452 1HD2 ASN 452 6.563 8.602 -2.696 1120 HD22 ASN 452 2HD2 ASN 452 6.570 9.953 -3.765 1121 H THR 453 H THR 453 4.982 5.334 -1.551 1122 HA THR 453 HA THR 453 5.661 7.318 0.343 1123 HB THR 453 HB THR 453 4.341 5.942 1.994 1124 HG1 THR 453 HG1 THR 453 3.993 3.925 1.556 1125 HG21 THR 453 1HG2 THR 453 2.161 6.174 0.850 1126 HG22 THR 453 2HG2 THR 453 2.990 6.384 -0.693 1127 HG23 THR 453 3HG2 THR 453 3.184 7.591 0.579 1128 H SER 454 H SER 454 6.316 3.756 0.444 1129 HA SER 454 HA SER 454 7.891 3.695 2.709 1130 HB2 SER 454 2HB SER 454 8.832 1.558 1.839 1131 HB3 SER 454 1HB SER 454 7.085 1.648 1.640 1132 HG SER 454 HG SER 454 7.306 1.657 -0.449 1133 H SER 455 H SER 455 8.866 4.580 -0.567 1134 HA SER 455 HA SER 455 11.644 4.770 -0.217 1135 HB2 SER 455 2HB SER 455 10.531 4.956 -2.421 1136 HB3 SER 455 1HB SER 455 9.834 6.507 -1.952 1137 HG SER 455 HG SER 455 12.617 6.186 -1.785 1138 H TYR 456 H TYR 456 9.263 7.541 -0.025 1139 HA TYR 456 HA TYR 456 11.290 9.208 1.170 1140 HB2 TYR 456 2HB TYR 456 9.617 10.992 1.328 1141 HB3 TYR 456 1HB TYR 456 9.667 10.275 -0.267 1142 HD1 TYR 456 HD1 TYR 456 7.657 9.985 2.935 1143 HD2 TYR 456 HD2 TYR 456 7.609 9.919 -1.337 1144 HE1 TYR 456 HE1 TYR 456 5.205 9.899 2.956 1145 HE2 TYR 456 HE2 TYR 456 5.150 9.823 -1.305 1146 HH TYR 456 HH TYR 456 3.332 9.138 0.264 1147 H LEU 457 H LEU 457 9.058 7.013 2.548 1148 HA LEU 457 HA LEU 457 8.891 8.160 5.176 1149 HB2 LEU 457 2HB LEU 457 8.259 5.342 4.207 1150 HB3 LEU 457 1HB LEU 457 8.000 5.885 5.854 1151 HG LEU 457 HG LEU 457 6.521 6.832 3.372 1152 HD11 LEU 457 1HD1 LEU 457 5.793 4.643 4.176 1153 HD12 LEU 457 2HD1 LEU 457 4.543 5.849 4.471 1154 HD13 LEU 457 3HD1 LEU 457 5.557 5.287 5.805 1155 HD21 LEU 457 1HD2 LEU 457 5.138 8.194 4.950 1156 HD22 LEU 457 2HD2 LEU 457 6.786 8.771 4.743 1157 HD23 LEU 457 3HD2 LEU 457 6.345 7.885 6.201 1158 H THR 458 H THR 458 10.926 5.700 3.566 1159 HA THR 458 HA THR 458 12.233 4.891 5.994 1160 HB THR 458 HB THR 458 12.008 3.446 3.868 1161 HG1 THR 458 HG1 THR 458 13.274 2.372 5.157 1162 HG21 THR 458 1HG2 THR 458 12.964 4.986 2.195 1163 HG22 THR 458 2HG2 THR 458 13.894 3.489 2.280 1164 HG23 THR 458 3HG2 THR 458 14.514 4.956 3.040 1165 H GLN 459 H GLN 459 12.953 7.200 3.396 1166 HA GLN 459 HA GLN 459 15.508 8.063 4.313 1167 HB2 GLN 459 2HB GLN 459 13.387 9.673 2.826 1168 HB3 GLN 459 1HB GLN 459 15.095 10.087 2.944 1169 HG2 GLN 459 2HG GLN 459 15.703 8.122 1.635 1170 HG3 GLN 459 1HG GLN 459 14.024 7.592 1.593 1171 HE21 GLN 459 1HE2 GLN 459 12.966 10.315 1.122 1172 HE22 GLN 459 2HE2 GLN 459 13.340 10.681 -0.521 1173 H GLN 460 H GLN 460 12.217 9.205 4.979 1174 HA GLN 460 HA GLN 460 12.685 11.292 6.771 1175 HB2 GLN 460 2HB GLN 460 10.468 10.909 5.846 1176 HB3 GLN 460 1HB GLN 460 10.384 9.308 6.569 1177 HG2 GLN 460 2HG GLN 460 8.968 10.745 7.852 1178 HG3 GLN 460 1HG GLN 460 10.384 10.406 8.839 1179 HE21 GLN 460 1HE2 GLN 460 11.846 12.093 9.270 1180 HE22 GLN 460 2HE2 GLN 460 11.444 13.750 9.000 1181 H PHE 461 H PHE 461 12.338 7.818 7.322 1182 HA PHE 461 HA PHE 461 12.399 7.831 10.140 1183 HB2 PHE 461 2HB PHE 461 11.543 5.932 8.808 1184 HB3 PHE 461 1HB PHE 461 13.157 5.620 8.179 1185 HD1 PHE 461 HD1 PHE 461 11.770 6.206 11.648 1186 HD2 PHE 461 HD2 PHE 461 13.977 3.614 9.062 1187 HE1 PHE 461 HE1 PHE 461 12.177 4.664 13.519 1188 HE2 PHE 461 HE2 PHE 461 14.376 2.083 10.941 1189 HZ PHE 461 HZ PHE 461 13.478 2.606 13.171 1190 H THR 462 H THR 462 14.975 7.627 7.691 1191 HA THR 462 HA THR 462 17.106 6.947 9.414 1192 HB THR 462 HB THR 462 17.449 8.638 6.900 1193 HG1 THR 462 HG1 THR 462 16.382 7.048 5.971 1194 HG21 THR 462 1HG2 THR 462 19.164 6.444 8.137 1195 HG22 THR 462 2HG2 THR 462 19.510 8.174 8.214 1196 HG23 THR 462 3HG2 THR 462 19.540 7.337 6.660 1197 H ALA 463 H ALA 463 15.942 10.143 8.276 1198 HA ALA 463 HA ALA 463 17.877 11.687 9.731 1199 HB1 ALA 463 1HB ALA 463 16.741 12.542 7.719 1200 HB2 ALA 463 2HB ALA 463 16.512 13.627 9.091 1201 HB3 ALA 463 3HB ALA 463 15.203 12.554 8.583 1202 H MET 464 H MET 464 14.416 11.003 10.330 1203 HA MET 464 HA MET 464 14.097 12.607 12.627 1204 HB2 MET 464 2HB MET 464 12.188 11.823 11.273 1205 HB3 MET 464 1HB MET 464 12.515 10.159 11.726 1206 HG2 MET 464 2HG MET 464 12.016 10.782 14.109 1207 HG3 MET 464 1HG MET 464 11.532 12.378 13.537 1208 HE1 MET 464 1HE MET 464 8.331 11.568 11.431 1209 HE2 MET 464 2HE MET 464 9.967 11.770 10.806 1210 HE3 MET 464 3HE MET 464 9.366 12.840 12.077 1211 H ASN 465 H ASN 465 15.086 9.236 12.250 1212 HA ASN 465 HA ASN 465 14.992 8.626 15.086 1213 HB2 ASN 465 2HB ASN 465 14.630 6.936 13.209 1214 HB3 ASN 465 1HB ASN 465 16.356 7.011 12.885 1215 HD21 ASN 465 1HD2 ASN 465 15.216 4.657 13.409 1216 HD22 ASN 465 2HD2 ASN 465 15.667 4.065 14.968 1217 H LYS 466 H LYS 466 17.693 8.794 12.658 1218 HA LYS 466 HA LYS 466 19.379 10.013 14.749 1219 HB2 LYS 466 2HB LYS 466 21.350 8.719 14.073 1220 HB3 LYS 466 1HB LYS 466 20.072 7.688 14.683 1221 HG2 LYS 466 2HG LYS 466 20.626 8.045 11.719 1222 HG3 LYS 466 1HG LYS 466 21.405 6.804 12.693 1223 HD2 LYS 466 2HD LYS 466 18.406 7.056 12.230 1224 HD3 LYS 466 1HD LYS 466 19.479 5.930 11.401 1225 HE2 LYS 466 2HE LYS 466 18.856 5.945 14.372 1226 HE3 LYS 466 1HE LYS 466 18.257 4.793 13.183 1227 HZ1 LYS 466 1HZ LYS 466 20.455 3.952 12.864 1228 HZ2 LYS 466 2HZ LYS 466 20.129 3.957 14.521 1229 HZ3 LYS 466 3HZ LYS 466 21.128 5.144 13.851 1230 H SER 467 H SER 467 18.630 12.078 13.517 1231 HA SER 467 HA SER 467 20.603 12.660 11.405 1232 HB2 SER 467 2HB SER 467 18.301 13.670 11.263 1233 HB3 SER 467 1HB SER 467 18.644 14.602 12.718 1234 HG SER 467 HG SER 467 20.466 14.771 10.599
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