NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23040 | 2jsx | 15381 | cing | 1-original | 3 | MR format | nomenclature mapping |
----------------------- Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 85.562 17.851 4.917 2 H2 MET 1 HT2 MET 1 87.240 17.961 4.724 3 H3 MET 1 HT3 MET 1 86.409 16.572 4.266 4 HA MET 1 HA MET 1 85.963 19.212 3.035 5 HB2 MET 1 HB2 MET 1 87.167 18.366 1.082 6 HB3 MET 1 HB1 MET 1 88.224 18.330 2.486 7 HG2 MET 1 HG2 MET 1 87.884 15.947 2.729 8 HG3 MET 1 HG1 MET 1 86.720 15.953 1.414 9 HE1 MET 1 HE1 MET 1 87.376 16.330 -1.144 10 HE2 MET 1 HE2 MET 1 89.020 16.679 -1.681 11 HE3 MET 1 HE3 MET 1 88.139 17.867 -0.727 12 H HIS 2 HN HIS 2 84.717 18.960 1.029 13 HA HIS 2 HA HIS 2 82.766 16.838 1.222 14 HB2 HIS 2 HB2 HIS 2 82.038 19.174 0.704 15 HB3 HIS 2 HB1 HIS 2 83.006 19.125 -0.764 16 HD1 HIS 2 HD1 HIS 2 79.793 17.744 0.701 17 HD2 HIS 2 HD2 HIS 2 81.840 17.835 -2.919 18 HE1 HIS 2 HE1 HIS 2 78.171 16.934 -1.039 19 H THR 3 HN THR 3 83.420 14.976 0.449 20 HA THR 3 HA THR 3 85.386 14.808 -1.644 21 HB THR 3 HB THR 3 84.896 12.301 -1.209 22 HG1 THR 3 HG1 THR 3 84.134 12.740 1.329 23 HG21 THR 3 HG21 THR 3 86.912 13.474 -0.438 24 HG22 THR 3 HG22 THR 3 86.346 12.309 0.770 25 HG23 THR 3 HG23 THR 3 86.036 14.035 0.987 26 H ASN 4 HN ASN 4 84.948 13.321 -3.498 27 HA ASN 4 HA ASN 4 82.391 13.961 -4.658 28 HB2 ASN 4 HB2 ASN 4 84.449 13.975 -6.070 29 HB3 ASN 4 HB1 ASN 4 84.668 12.269 -5.739 30 HD21 ASN 4 HD21 ASN 4 82.726 14.606 -7.443 31 HD22 ASN 4 HD22 ASN 4 81.987 13.499 -8.534 32 H TRP 5 HN TRP 5 80.999 13.048 -3.490 33 HA TRP 5 HA TRP 5 81.031 10.255 -2.795 34 HB2 TRP 5 HB2 TRP 5 78.998 10.796 -1.533 35 HB3 TRP 5 HB1 TRP 5 80.328 11.869 -1.146 36 HD1 TRP 5 HD1 TRP 5 79.336 13.542 -4.084 37 HE1 TRP 5 HE1 TRP 5 77.558 15.310 -3.691 38 HE3 TRP 5 HE3 TRP 5 77.665 12.006 0.509 39 HZ2 TRP 5 HZ2 TRP 5 75.681 16.002 -1.703 40 HZ3 TRP 5 HZ3 TRP 5 75.873 13.298 1.579 41 HH2 TRP 5 HH2 TRP 5 74.903 15.251 0.496 42 H GLN 6 HN GLN 6 79.063 8.963 -3.132 43 HA GLN 6 HA GLN 6 77.829 9.637 -5.663 44 HB2 GLN 6 HB2 GLN 6 77.805 7.132 -6.069 45 HB3 GLN 6 HB1 GLN 6 79.323 7.989 -6.301 46 HG2 GLN 6 HG2 GLN 6 80.134 7.218 -4.186 47 HG3 GLN 6 HG1 GLN 6 78.588 6.465 -3.813 48 HE21 GLN 6 HE21 GLN 6 79.586 4.476 -3.600 49 HE22 GLN 6 HE22 GLN 6 80.150 3.578 -4.962 50 H VAL 7 HN VAL 7 75.758 9.158 -5.884 51 HA VAL 7 HA VAL 7 74.342 8.320 -3.473 52 HB VAL 7 HB VAL 7 72.370 9.361 -4.392 53 HG11 VAL 7 HG11 VAL 7 73.950 10.931 -3.416 54 HG12 VAL 7 HG12 VAL 7 73.000 11.675 -4.698 55 HG13 VAL 7 HG13 VAL 7 74.670 11.195 -5.004 56 HG21 VAL 7 HG21 VAL 7 72.304 10.408 -6.639 57 HG22 VAL 7 HG22 VAL 7 72.521 8.657 -6.702 58 HG23 VAL 7 HG23 VAL 7 73.893 9.724 -6.981 59 H CYS 8 HN CYS 8 72.904 6.551 -3.652 60 HA CYS 8 HA CYS 8 72.822 5.207 -6.226 61 HB2 CYS 8 HB2 CYS 8 73.725 3.887 -3.667 62 HB3 CYS 8 HB1 CYS 8 73.284 3.009 -5.128 63 HG CYS 8 HG CYS 8 75.404 5.316 -5.925 64 H SER 9 HN SER 9 70.926 4.441 -6.712 65 HA SER 9 HA SER 9 68.808 4.565 -4.770 66 HB2 SER 9 HB2 SER 9 68.292 5.414 -6.958 67 HB3 SER 9 HB1 SER 9 68.824 3.921 -7.752 68 HG SER 9 HG SER 9 66.474 4.410 -7.352 69 H LEU 10 HN LEU 10 67.697 2.871 -4.047 70 HA LEU 10 HA LEU 10 68.779 0.183 -4.502 71 HB2 LEU 10 HB2 LEU 10 67.618 1.452 -2.068 72 HB3 LEU 10 HB1 LEU 10 68.036 -0.226 -2.143 73 HG LEU 10 HG LEU 10 69.966 2.077 -2.369 74 HD11 LEU 10 HD11 LEU 10 70.728 1.314 -0.141 75 HD12 LEU 10 HD12 LEU 10 69.456 0.094 -0.131 76 HD13 LEU 10 HD13 LEU 10 69.037 1.808 -0.104 77 HD21 LEU 10 HD21 LEU 10 70.461 -0.895 -2.236 78 HD22 LEU 10 HD22 LEU 10 71.696 0.358 -2.148 79 HD23 LEU 10 HD23 LEU 10 70.745 0.166 -3.618 80 H VAL 11 HN VAL 11 67.304 -1.087 -5.342 81 HA VAL 11 HA VAL 11 64.486 -0.406 -5.013 82 HB VAL 11 HB VAL 11 65.786 -2.544 -6.760 83 HG11 VAL 11 HG11 VAL 11 62.900 -1.647 -6.679 84 HG12 VAL 11 HG12 VAL 11 63.532 -3.179 -6.074 85 HG13 VAL 11 HG13 VAL 11 63.593 -2.829 -7.795 86 HG21 VAL 11 HG21 VAL 11 65.174 -1.129 -8.661 87 HG22 VAL 11 HG22 VAL 11 66.273 -0.293 -7.567 88 HG23 VAL 11 HG23 VAL 11 64.548 0.084 -7.547 89 H VAL 12 HN VAL 12 63.914 -1.030 -3.103 90 HA VAL 12 HA VAL 12 64.970 -3.484 -1.985 91 HB VAL 12 HB VAL 12 63.309 -1.285 -0.742 92 HG11 VAL 12 HG11 VAL 12 64.731 -3.583 0.580 93 HG12 VAL 12 HG12 VAL 12 62.985 -3.440 0.384 94 HG13 VAL 12 HG13 VAL 12 63.853 -2.301 1.415 95 HG21 VAL 12 HG21 VAL 12 66.260 -1.863 -0.504 96 HG22 VAL 12 HG22 VAL 12 65.378 -0.652 0.425 97 HG23 VAL 12 HG23 VAL 12 65.519 -0.488 -1.325 98 H GLN 13 HN GLN 13 63.864 -5.245 -2.376 99 HA GLN 13 HA GLN 13 60.965 -5.157 -2.693 100 HB2 GLN 13 HB2 GLN 13 62.396 -6.597 -4.227 101 HB3 GLN 13 HB1 GLN 13 62.880 -7.502 -2.811 102 HG2 GLN 13 HG2 GLN 13 61.121 -8.669 -4.041 103 HG3 GLN 13 HG1 GLN 13 60.603 -8.225 -2.417 104 HE21 GLN 13 HE21 GLN 13 58.438 -8.312 -2.958 105 HE22 GLN 13 HE22 GLN 13 57.672 -7.099 -3.918 106 H ALA 14 HN ALA 14 59.833 -5.311 -0.894 107 HA ALA 14 HA ALA 14 60.928 -6.841 1.346 108 HB1 ALA 14 HB1 ALA 14 60.206 -5.054 2.840 109 HB2 ALA 14 HB2 ALA 14 59.785 -4.057 1.443 110 HB3 ALA 14 HB3 ALA 14 61.465 -4.520 1.728 111 H LYS 15 HN LYS 15 59.162 -7.116 3.046 112 HA LYS 15 HA LYS 15 56.831 -8.289 1.994 113 HB2 LYS 15 HB2 LYS 15 57.413 -7.230 4.743 114 HB3 LYS 15 HB1 LYS 15 55.822 -7.835 4.377 115 HG2 LYS 15 HG2 LYS 15 56.696 -9.709 5.265 116 HG3 LYS 15 HG1 LYS 15 57.318 -9.952 3.633 117 HD2 LYS 15 HD2 LYS 15 59.442 -8.935 4.312 118 HD3 LYS 15 HD1 LYS 15 58.766 -8.658 5.919 119 HE2 LYS 15 HE2 LYS 15 59.232 -11.352 4.638 120 HE3 LYS 15 HE1 LYS 15 60.190 -10.619 5.917 121 HZ1 LYS 15 HZ1 LYS 15 57.313 -11.366 6.184 122 HZ2 LYS 15 HZ2 LYS 15 58.299 -10.778 7.428 123 HZ3 LYS 15 HZ3 LYS 15 58.611 -12.263 6.740 124 H SER 16 HN SER 16 55.292 -7.358 0.895 125 HA SER 16 HA SER 16 54.878 -4.662 0.567 126 HB2 SER 16 HB2 SER 16 52.814 -6.810 0.204 127 HB3 SER 16 HB1 SER 16 53.048 -5.351 -0.756 128 HG SER 16 HG SER 16 55.105 -6.226 -1.406 129 H GLU 17 HN GLU 17 53.601 -6.843 2.935 130 HA GLU 17 HA GLU 17 51.449 -5.224 3.897 131 HB2 GLU 17 HB2 GLU 17 51.411 -6.870 5.733 132 HB3 GLU 17 HB1 GLU 17 51.434 -7.639 4.152 133 HG2 GLU 17 HG2 GLU 17 53.813 -8.050 4.372 134 HG3 GLU 17 HG1 GLU 17 53.822 -7.250 5.937 135 H ARG 18 HN ARG 18 54.860 -5.405 4.534 136 HA ARG 18 HA ARG 18 54.583 -4.105 7.156 137 HB2 ARG 18 HB2 ARG 18 55.691 -6.350 6.986 138 HB3 ARG 18 HB1 ARG 18 56.909 -5.601 5.969 139 HG2 ARG 18 HG2 ARG 18 57.651 -4.224 7.804 140 HG3 ARG 18 HG1 ARG 18 56.353 -4.862 8.813 141 HD2 ARG 18 HD2 ARG 18 57.257 -7.044 8.750 142 HD3 ARG 18 HD1 ARG 18 58.478 -6.573 7.565 143 HE ARG 18 HE ARG 18 59.095 -4.947 9.526 144 HH11 ARG 18 HH11 ARG 18 58.275 -8.411 9.772 145 HH12 ARG 18 HH12 ARG 18 59.291 -8.648 11.134 146 HH21 ARG 18 HH21 ARG 18 60.475 -5.361 11.400 147 HH22 ARG 18 HH22 ARG 18 60.445 -6.908 12.089 148 H ILE 19 HN ILE 19 54.728 -3.081 4.254 149 HA ILE 19 HA ILE 19 57.152 -1.813 3.778 150 HB ILE 19 HB ILE 19 54.383 -1.244 2.739 151 HG12 ILE 19 HG12 ILE 19 55.408 -3.318 2.036 152 HG13 ILE 19 HG11 ILE 19 55.281 -2.217 0.667 153 HG21 ILE 19 HG21 ILE 19 55.594 0.891 2.669 154 HG22 ILE 19 HG22 ILE 19 55.332 0.240 1.048 155 HG23 ILE 19 HG23 ILE 19 56.913 0.083 1.817 156 HD11 ILE 19 HD11 ILE 19 57.786 -2.833 2.249 157 HD12 ILE 19 HD12 ILE 19 57.672 -1.688 0.915 158 HD13 ILE 19 HD13 ILE 19 57.393 -3.399 0.630 159 H SER 20 HN SER 20 54.435 -0.623 5.654 160 HA SER 20 HA SER 20 55.346 2.062 5.739 161 HB2 SER 20 HB2 SER 20 53.587 0.653 7.769 162 HB3 SER 20 HB1 SER 20 53.739 2.388 7.529 163 HG SER 20 HG SER 20 52.945 0.683 5.423 164 H ASP 21 HN ASP 21 55.848 -0.701 7.880 165 HA ASP 21 HA ASP 21 57.280 0.703 9.901 166 HB2 ASP 21 HB2 ASP 21 57.428 -2.231 9.133 167 HB3 ASP 21 HB1 ASP 21 58.163 -1.534 10.568 168 H ILE 22 HN ILE 22 58.280 -1.205 7.152 169 HA ILE 22 HA ILE 22 61.054 -1.055 7.539 170 HB ILE 22 HB ILE 22 59.570 -1.418 4.924 171 HG12 ILE 22 HG12 ILE 22 60.611 -3.497 6.846 172 HG13 ILE 22 HG11 ILE 22 58.930 -2.972 6.775 173 HG21 ILE 22 HG21 ILE 22 62.377 -2.221 5.740 174 HG22 ILE 22 HG22 ILE 22 61.968 -0.912 4.629 175 HG23 ILE 22 HG23 ILE 22 61.608 -2.579 4.193 176 HD11 ILE 22 HD11 ILE 22 59.207 -5.031 5.589 177 HD12 ILE 22 HD12 ILE 22 60.504 -4.324 4.633 178 HD13 ILE 22 HD13 ILE 22 58.846 -3.741 4.434 179 H SER 23 HN SER 23 58.948 0.920 5.437 180 HA SER 23 HA SER 23 60.988 2.498 4.350 181 HB2 SER 23 HB2 SER 23 59.066 4.144 3.890 182 HB3 SER 23 HB1 SER 23 58.890 2.513 3.234 183 HG SER 23 HG SER 23 57.431 2.054 4.734 184 H THR 24 HN THR 24 58.937 3.082 7.159 185 HA THR 24 HA THR 24 59.883 5.605 7.866 186 HB THR 24 HB THR 24 58.974 3.404 9.750 187 HG1 THR 24 HG1 THR 24 57.383 3.822 8.164 188 HG21 THR 24 HG21 THR 24 58.958 6.418 10.062 189 HG22 THR 24 HG22 THR 24 60.039 5.315 10.901 190 HG23 THR 24 HG23 THR 24 58.301 5.269 11.226 191 H GLN 25 HN GLN 25 61.056 2.345 8.972 192 HA GLN 25 HA GLN 25 63.055 3.229 10.584 193 HB2 GLN 25 HB2 GLN 25 61.953 0.936 10.275 194 HB3 GLN 25 HB1 GLN 25 63.121 0.742 8.968 195 HG2 GLN 25 HG2 GLN 25 64.929 1.225 10.570 196 HG3 GLN 25 HG1 GLN 25 63.597 1.338 11.753 197 HE21 GLN 25 HE21 GLN 25 62.088 -0.869 10.851 198 HE22 GLN 25 HE22 GLN 25 62.944 -2.308 11.229 199 H LEU 26 HN LEU 26 63.142 2.325 7.047 200 HA LEU 26 HA LEU 26 65.896 2.530 6.841 201 HB2 LEU 26 HB2 LEU 26 63.757 2.657 4.716 202 HB3 LEU 26 HB1 LEU 26 65.457 2.553 4.442 203 HG LEU 26 HG LEU 26 63.735 0.450 5.725 204 HD11 LEU 26 HD11 LEU 26 64.346 -0.882 3.779 205 HD12 LEU 26 HD12 LEU 26 65.245 0.488 3.131 206 HD13 LEU 26 HD13 LEU 26 63.495 0.594 3.321 207 HD21 LEU 26 HD21 LEU 26 65.876 0.414 6.841 208 HD22 LEU 26 HD22 LEU 26 66.722 0.512 5.308 209 HD23 LEU 26 HD23 LEU 26 65.801 -0.943 5.713 210 H ASN 27 HN ASN 27 63.329 4.924 6.452 211 HA ASN 27 HA ASN 27 65.020 6.848 5.214 212 HB2 ASN 27 HB2 ASN 27 62.434 6.617 5.237 213 HB3 ASN 27 HB1 ASN 27 62.529 7.476 6.769 214 HD21 ASN 27 HD21 ASN 27 61.403 8.141 4.156 215 HD22 ASN 27 HD22 ASN 27 62.156 9.624 3.674 216 H ALA 28 HN ALA 28 64.873 5.637 8.310 217 HA ALA 28 HA ALA 28 65.787 8.086 9.585 218 HB1 ALA 28 HB1 ALA 28 65.148 5.367 10.720 219 HB2 ALA 28 HB2 ALA 28 64.095 6.774 10.750 220 HB3 ALA 28 HB3 ALA 28 65.605 6.780 11.674 221 H PHE 29 HN PHE 29 67.211 5.905 7.665 222 HA PHE 29 HA PHE 29 69.552 5.376 9.213 223 HB2 PHE 29 HB2 PHE 29 68.486 4.724 6.535 224 HB3 PHE 29 HB1 PHE 29 70.201 4.586 6.744 225 HD1 PHE 29 HD1 PHE 29 67.370 3.742 9.002 226 HD2 PHE 29 HD2 PHE 29 70.639 2.261 6.730 227 HE1 PHE 29 HE1 PHE 29 66.956 1.479 9.881 228 HE2 PHE 29 HE2 PHE 29 70.242 0.018 7.611 229 HZ PHE 29 HZ PHE 29 68.403 -0.386 9.187 230 HA PRO 30 HA PRO 30 71.596 9.028 7.903 231 HB2 PRO 30 HB2 PRO 30 74.218 8.236 7.871 232 HB3 PRO 30 HB1 PRO 30 73.310 8.557 9.342 233 HG2 PRO 30 HG2 PRO 30 74.136 5.980 8.181 234 HG3 PRO 30 HG1 PRO 30 73.745 6.384 9.859 235 HD2 PRO 30 HD2 PRO 30 72.111 5.038 7.979 236 HD3 PRO 30 HD1 PRO 30 71.604 5.589 9.572 237 H GLY 31 HN GLY 31 71.236 9.749 5.919 238 HA2 GLY 31 HA2 GLY 31 71.995 10.280 3.778 239 HA3 GLY 31 HA1 GLY 31 73.013 8.850 3.816 240 H CYS 32 HN CYS 32 70.026 7.834 4.872 241 HA CYS 32 HA CYS 32 69.382 6.890 2.203 242 HB2 CYS 32 HB2 CYS 32 68.498 5.968 4.916 243 HB3 CYS 32 HB1 CYS 32 68.144 5.171 3.392 244 HG CYS 32 HG CYS 32 71.377 5.679 3.980 245 H GLU 33 HN GLU 33 67.718 7.779 1.209 246 HA GLU 33 HA GLU 33 65.471 8.882 2.779 247 HB2 GLU 33 HB2 GLU 33 66.736 10.687 1.721 248 HB3 GLU 33 HB1 GLU 33 66.681 9.866 0.180 249 HG2 GLU 33 HG2 GLU 33 65.123 11.709 0.200 250 HG3 GLU 33 HG1 GLU 33 64.264 10.186 0.076 251 H VAL 34 HN VAL 34 63.511 8.124 2.198 252 HA VAL 34 HA VAL 34 63.423 6.033 0.185 253 HB VAL 34 HB VAL 34 61.200 7.048 2.008 254 HG11 VAL 34 HG11 VAL 34 60.010 4.980 1.402 255 HG12 VAL 34 HG12 VAL 34 61.313 4.570 0.285 256 HG13 VAL 34 HG13 VAL 34 60.315 5.992 -0.012 257 HG21 VAL 34 HG21 VAL 34 61.577 5.026 3.327 258 HG22 VAL 34 HG22 VAL 34 63.047 6.007 3.256 259 HG23 VAL 34 HG23 VAL 34 62.896 4.564 2.259 260 H ALA 35 HN ALA 35 63.185 6.685 -1.788 261 HA ALA 35 HA ALA 35 62.074 9.282 -2.403 262 HB1 ALA 35 HB1 ALA 35 62.824 8.821 -4.687 263 HB2 ALA 35 HB2 ALA 35 63.267 7.180 -4.215 264 HB3 ALA 35 HB3 ALA 35 64.119 8.558 -3.521 265 H VAL 36 HN VAL 36 61.451 5.918 -3.333 266 HA VAL 36 HA VAL 36 58.710 6.720 -4.034 267 HB VAL 36 HB VAL 36 60.370 4.585 -5.421 268 HG11 VAL 36 HG11 VAL 36 58.565 4.479 -7.055 269 HG12 VAL 36 HG12 VAL 36 57.642 5.632 -6.096 270 HG13 VAL 36 HG13 VAL 36 58.016 4.042 -5.433 271 HG21 VAL 36 HG21 VAL 36 60.423 6.057 -7.365 272 HG22 VAL 36 HG22 VAL 36 61.190 6.828 -5.975 273 HG23 VAL 36 HG23 VAL 36 59.565 7.303 -6.456 274 H SER 37 HN SER 37 57.106 5.348 -3.248 275 HA SER 37 HA SER 37 57.979 2.897 -1.989 276 HB2 SER 37 HB2 SER 37 56.378 3.520 -0.059 277 HB3 SER 37 HB1 SER 37 57.954 4.304 -0.107 278 HG SER 37 HG SER 37 57.027 6.138 -0.879 279 H ASP 38 HN ASP 38 56.986 1.436 -3.220 280 HA ASP 38 HA ASP 38 54.141 1.831 -3.802 281 HB2 ASP 38 HB2 ASP 38 55.555 1.513 -5.843 282 HB3 ASP 38 HB1 ASP 38 56.078 -0.043 -5.169 283 H ALA 39 HN ALA 39 53.285 1.102 -2.030 284 HA ALA 39 HA ALA 39 54.131 -1.053 -0.489 285 HB1 ALA 39 HB1 ALA 39 52.679 0.724 0.370 286 HB2 ALA 39 HB2 ALA 39 52.036 -0.882 0.710 287 HB3 ALA 39 HB3 ALA 39 51.349 0.085 -0.599 288 HA PRO 40 HA PRO 40 50.515 -3.641 -2.833 289 HB2 PRO 40 HB2 PRO 40 50.744 -3.148 -5.547 290 HB3 PRO 40 HB1 PRO 40 49.499 -2.445 -4.501 291 HG2 PRO 40 HG2 PRO 40 52.208 -1.380 -5.151 292 HG3 PRO 40 HG1 PRO 40 50.748 -0.468 -5.415 293 HD2 PRO 40 HD2 PRO 40 52.003 0.059 -3.319 294 HD3 PRO 40 HD1 PRO 40 50.335 -0.504 -2.999 295 H SER 41 HN SER 41 53.532 -2.773 -4.656 296 HA SER 41 HA SER 41 53.965 -5.584 -5.221 297 HB2 SER 41 HB2 SER 41 55.787 -3.261 -5.827 298 HB3 SER 41 HB1 SER 41 55.800 -4.853 -6.578 299 HG SER 41 HG SER 41 54.016 -2.739 -6.811 300 H GLY 42 HN GLY 42 54.998 -3.179 -2.963 301 HA2 GLY 42 HA2 GLY 42 56.113 -3.609 -0.974 302 HA3 GLY 42 HA1 GLY 42 56.643 -5.165 -1.609 303 H GLN 43 HN GLN 43 56.917 -2.241 -3.441 304 HA GLN 43 HA GLN 43 59.812 -2.597 -3.426 305 HB2 GLN 43 HB2 GLN 43 57.961 -1.233 -5.372 306 HB3 GLN 43 HB1 GLN 43 59.715 -1.184 -5.483 307 HG2 GLN 43 HG2 GLN 43 59.826 -3.536 -5.824 308 HG3 GLN 43 HG1 GLN 43 58.111 -3.717 -5.469 309 HE21 GLN 43 HE21 GLN 43 59.247 -1.045 -7.411 310 HE22 GLN 43 HE22 GLN 43 58.605 -1.654 -8.887 311 H LEU 44 HN LEU 44 60.982 -1.251 -2.428 312 HA LEU 44 HA LEU 44 60.042 1.497 -1.958 313 HB2 LEU 44 HB2 LEU 44 61.760 -0.288 -0.242 314 HB3 LEU 44 HB1 LEU 44 61.586 1.435 0.021 315 HG LEU 44 HG LEU 44 59.282 -0.501 0.103 316 HD11 LEU 44 HD11 LEU 44 60.913 -1.078 1.810 317 HD12 LEU 44 HD12 LEU 44 59.487 -0.341 2.542 318 HD13 LEU 44 HD13 LEU 44 60.972 0.602 2.348 319 HD21 LEU 44 HD21 LEU 44 58.639 1.784 -0.311 320 HD22 LEU 44 HD22 LEU 44 59.668 2.342 0.995 321 HD23 LEU 44 HD23 LEU 44 58.240 1.385 1.362 322 H ILE 45 HN ILE 45 61.209 2.933 -2.981 323 HA ILE 45 HA ILE 45 63.882 2.200 -3.922 324 HB ILE 45 HB ILE 45 62.130 4.589 -4.579 325 HG12 ILE 45 HG12 ILE 45 61.319 2.493 -5.587 326 HG13 ILE 45 HG11 ILE 45 61.913 3.605 -6.821 327 HG21 ILE 45 HG21 ILE 45 64.820 3.877 -5.738 328 HG22 ILE 45 HG22 ILE 45 64.461 5.228 -4.671 329 HG23 ILE 45 HG23 ILE 45 63.771 5.183 -6.293 330 HD11 ILE 45 HD11 ILE 45 64.000 2.300 -6.898 331 HD12 ILE 45 HD12 ILE 45 62.576 1.348 -7.316 332 HD13 ILE 45 HD13 ILE 45 63.309 1.178 -5.724 333 H VAL 46 HN VAL 46 65.475 2.769 -2.710 334 HA VAL 46 HA VAL 46 65.167 5.086 -0.933 335 HB VAL 46 HB VAL 46 66.665 2.504 -0.362 336 HG11 VAL 46 HG11 VAL 46 67.128 3.475 1.868 337 HG12 VAL 46 HG12 VAL 46 66.366 4.982 1.361 338 HG13 VAL 46 HG13 VAL 46 67.853 4.438 0.579 339 HG21 VAL 46 HG21 VAL 46 65.042 2.276 1.541 340 HG22 VAL 46 HG22 VAL 46 64.294 2.184 -0.052 341 HG23 VAL 46 HG23 VAL 46 64.174 3.665 0.891 342 H VAL 47 HN VAL 47 66.621 6.590 -1.249 343 HA VAL 47 HA VAL 47 68.910 5.953 -2.974 344 HB VAL 47 HB VAL 47 67.727 8.674 -2.319 345 HG11 VAL 47 HG11 VAL 47 69.136 9.486 -4.164 346 HG12 VAL 47 HG12 VAL 47 69.809 7.870 -4.352 347 HG13 VAL 47 HG13 VAL 47 70.095 8.777 -2.862 348 HG21 VAL 47 HG21 VAL 47 66.162 7.365 -3.663 349 HG22 VAL 47 HG22 VAL 47 67.435 7.013 -4.827 350 HG23 VAL 47 HG23 VAL 47 66.858 8.669 -4.626 351 H VAL 48 HN VAL 48 70.774 5.838 -2.065 352 HA VAL 48 HA VAL 48 71.121 7.072 0.576 353 HB VAL 48 HB VAL 48 72.621 4.705 -0.567 354 HG11 VAL 48 HG11 VAL 48 73.440 4.391 1.740 355 HG12 VAL 48 HG12 VAL 48 72.574 5.845 2.238 356 HG13 VAL 48 HG13 VAL 48 73.906 5.967 1.096 357 HG21 VAL 48 HG21 VAL 48 70.316 4.065 -0.179 358 HG22 VAL 48 HG22 VAL 48 70.378 4.738 1.450 359 HG23 VAL 48 HG23 VAL 48 71.351 3.327 1.046 360 H GLU 49 HN GLU 49 72.608 8.592 0.718 361 HA GLU 49 HA GLU 49 74.666 8.731 -1.362 362 HB2 GLU 49 HB2 GLU 49 74.643 11.225 -1.083 363 HB3 GLU 49 HB1 GLU 49 73.150 10.554 -1.719 364 HG2 GLU 49 HG2 GLU 49 72.116 10.758 0.493 365 HG3 GLU 49 HG1 GLU 49 73.617 11.472 1.095 366 H ALA 50 HN ALA 50 76.665 8.523 -0.671 367 HA ALA 50 HA ALA 50 77.296 9.303 2.059 368 HB1 ALA 50 HB1 ALA 50 76.688 6.929 2.162 369 HB2 ALA 50 HB2 ALA 50 78.383 7.197 2.547 370 HB3 ALA 50 HB3 ALA 50 77.931 6.567 0.961 371 H GLU 51 HN GLU 51 79.388 9.706 2.427 372 HA GLU 51 HA GLU 51 80.831 11.168 0.624 373 HB2 GLU 51 HB2 GLU 51 81.770 9.724 3.072 374 HB3 GLU 51 HB1 GLU 51 82.685 10.963 2.231 375 HG2 GLU 51 HG2 GLU 51 81.170 12.633 2.814 376 HG3 GLU 51 HG1 GLU 51 79.929 11.474 3.282 377 H ASP 52 HN ASP 52 81.831 7.956 1.799 378 HA ASP 52 HA ASP 52 83.513 7.722 -0.596 379 HB2 ASP 52 HB2 ASP 52 84.790 7.802 1.515 380 HB3 ASP 52 HB1 ASP 52 83.838 6.469 2.153 381 H SER 53 HN SER 53 83.630 5.581 -1.552 382 HA SER 53 HA SER 53 81.180 4.389 -1.970 383 HB2 SER 53 HB2 SER 53 83.938 3.230 -2.382 384 HB3 SER 53 HB1 SER 53 82.463 2.690 -3.179 385 HG SER 53 HG SER 53 84.044 4.882 -3.671 386 H GLU 54 HN GLU 54 83.700 3.627 0.377 387 HA GLU 54 HA GLU 54 82.614 1.109 1.126 388 HB2 GLU 54 HB2 GLU 54 84.957 1.587 1.376 389 HB3 GLU 54 HB1 GLU 54 84.609 2.966 2.397 390 HG2 GLU 54 HG2 GLU 54 83.737 1.451 4.112 391 HG3 GLU 54 HG1 GLU 54 84.138 0.082 3.071 392 H THR 55 HN THR 55 82.343 4.464 2.321 393 HA THR 55 HA THR 55 80.967 3.960 4.715 394 HB THR 55 HB THR 55 80.397 6.348 2.968 395 HG1 THR 55 HG1 THR 55 82.778 6.052 4.506 396 HG21 THR 55 HG21 THR 55 80.552 7.519 5.137 397 HG22 THR 55 HG22 THR 55 80.951 5.996 5.921 398 HG23 THR 55 HG23 THR 55 79.361 6.220 5.191 399 H LEU 56 HN LEU 56 80.019 4.327 1.380 400 HA LEU 56 HA LEU 56 77.226 4.335 1.628 401 HB2 LEU 56 HB2 LEU 56 78.516 4.925 -0.411 402 HB3 LEU 56 HB1 LEU 56 78.939 3.238 -0.595 403 HG LEU 56 HG LEU 56 76.496 2.741 -0.819 404 HD11 LEU 56 HD11 LEU 56 75.579 4.710 0.210 405 HD12 LEU 56 HD12 LEU 56 75.026 4.594 -1.463 406 HD13 LEU 56 HD13 LEU 56 76.302 5.732 -1.029 407 HD21 LEU 56 HD21 LEU 56 77.986 2.831 -2.729 408 HD22 LEU 56 HD22 LEU 56 77.748 4.574 -2.839 409 HD23 LEU 56 HD23 LEU 56 76.399 3.478 -3.143 410 H ILE 57 HN ILE 57 79.563 1.712 1.106 411 HA ILE 57 HA ILE 57 77.748 -0.420 0.974 412 HB ILE 57 HB ILE 57 80.591 -0.530 2.040 413 HG12 ILE 57 HG12 ILE 57 80.578 0.440 -0.204 414 HG13 ILE 57 HG11 ILE 57 81.254 -1.176 -0.250 415 HG21 ILE 57 HG21 ILE 57 79.310 -2.525 2.578 416 HG22 ILE 57 HG22 ILE 57 80.560 -2.882 1.383 417 HG23 ILE 57 HG23 ILE 57 78.880 -2.725 0.878 418 HD11 ILE 57 HD11 ILE 57 78.463 -0.400 -1.080 419 HD12 ILE 57 HD12 ILE 57 79.145 -2.028 -1.151 420 HD13 ILE 57 HD13 ILE 57 79.821 -0.740 -2.149 421 H GLN 58 HN GLN 58 79.512 0.920 3.754 422 HA GLN 58 HA GLN 58 78.633 -0.764 5.791 423 HB2 GLN 58 HB2 GLN 58 79.129 2.212 5.924 424 HB3 GLN 58 HB1 GLN 58 78.965 1.163 7.323 425 HG2 GLN 58 HG2 GLN 58 80.976 -0.036 6.689 426 HG3 GLN 58 HG1 GLN 58 81.122 0.951 5.233 427 HE21 GLN 58 HE21 GLN 58 81.444 0.879 8.676 428 HE22 GLN 58 HE22 GLN 58 82.263 2.386 8.850 429 H THR 59 HN THR 59 77.070 2.055 4.412 430 HA THR 59 HA THR 59 74.911 2.075 6.252 431 HB THR 59 HB THR 59 75.065 3.403 3.526 432 HG1 THR 59 HG1 THR 59 76.856 4.092 4.765 433 HG21 THR 59 HG21 THR 59 73.513 5.020 4.541 434 HG22 THR 59 HG22 THR 59 73.505 4.073 6.029 435 HG23 THR 59 HG23 THR 59 72.834 3.392 4.550 436 H ILE 60 HN ILE 60 75.254 1.026 2.846 437 HA ILE 60 HA ILE 60 72.588 0.211 2.484 438 HB ILE 60 HB ILE 60 75.088 -0.652 0.999 439 HG12 ILE 60 HG12 ILE 60 72.948 1.374 0.305 440 HG13 ILE 60 HG11 ILE 60 74.569 1.748 0.878 441 HG21 ILE 60 HG21 ILE 60 72.201 -1.065 0.204 442 HG22 ILE 60 HG22 ILE 60 73.338 -2.333 0.674 443 HG23 ILE 60 HG23 ILE 60 73.604 -1.414 -0.809 444 HD11 ILE 60 HD11 ILE 60 73.885 0.384 -1.719 445 HD12 ILE 60 HD12 ILE 60 75.508 0.764 -1.146 446 HD13 ILE 60 HD13 ILE 60 74.382 2.064 -1.522 447 H GLU 61 HN GLU 61 75.404 -1.583 3.631 448 HA GLU 61 HA GLU 61 74.218 -4.128 3.620 449 HB2 GLU 61 HB2 GLU 61 76.663 -3.696 3.983 450 HB3 GLU 61 HB1 GLU 61 76.274 -3.095 5.587 451 HG2 GLU 61 HG2 GLU 61 75.281 -5.308 6.117 452 HG3 GLU 61 HG1 GLU 61 75.864 -5.885 4.560 453 H SER 62 HN SER 62 74.103 -1.489 5.940 454 HA SER 62 HA SER 62 72.841 -2.955 7.997 455 HB2 SER 62 HB2 SER 62 74.054 -0.718 8.257 456 HB3 SER 62 HB1 SER 62 72.641 0.009 7.494 457 HG SER 62 HG SER 62 72.623 -1.518 9.860 458 H VAL 63 HN VAL 63 71.696 -1.036 5.277 459 HA VAL 63 HA VAL 63 68.968 -1.019 5.784 460 HB VAL 63 HB VAL 63 70.396 -1.163 3.095 461 HG11 VAL 63 HG11 VAL 63 67.537 -0.354 3.651 462 HG12 VAL 63 HG12 VAL 63 68.070 -1.803 2.803 463 HG13 VAL 63 HG13 VAL 63 68.368 -0.211 2.103 464 HG21 VAL 63 HG21 VAL 63 69.333 1.202 4.640 465 HG22 VAL 63 HG22 VAL 63 70.071 1.270 3.041 466 HG23 VAL 63 HG23 VAL 63 71.031 0.777 4.435 467 H ARG 64 HN ARG 64 71.033 -3.437 4.285 468 HA ARG 64 HA ARG 64 68.913 -5.221 3.534 469 HB2 ARG 64 HB2 ARG 64 71.887 -5.767 3.669 470 HB3 ARG 64 HB1 ARG 64 70.684 -6.793 2.900 471 HG2 ARG 64 HG2 ARG 64 70.168 -5.013 1.324 472 HG3 ARG 64 HG1 ARG 64 71.401 -3.989 2.069 473 HD2 ARG 64 HD2 ARG 64 72.346 -4.946 0.113 474 HD3 ARG 64 HD1 ARG 64 73.049 -5.774 1.499 475 HE ARG 64 HE ARG 64 71.003 -7.392 0.852 476 HH11 ARG 64 HH11 ARG 64 73.676 -6.064 -1.026 477 HH12 ARG 64 HH12 ARG 64 73.650 -7.270 -2.223 478 HH21 ARG 64 HH21 ARG 64 70.966 -9.083 -0.759 479 HH22 ARG 64 HH22 ARG 64 72.047 -9.059 -2.062 480 H ASN 65 HN ASN 65 70.308 -4.551 6.473 481 HA ASN 65 HA ASN 65 70.002 -7.259 7.493 482 HB2 ASN 65 HB2 ASN 65 71.402 -4.844 8.509 483 HB3 ASN 65 HB1 ASN 65 70.766 -5.976 9.700 484 HD21 ASN 65 HD21 ASN 65 73.053 -5.544 7.097 485 HD22 ASN 65 HD22 ASN 65 73.974 -6.959 7.427 486 H VAL 66 HN VAL 66 67.887 -4.935 6.930 487 HA VAL 66 HA VAL 66 66.410 -5.105 9.468 488 HB VAL 66 HB VAL 66 65.624 -3.825 6.844 489 HG11 VAL 66 HG11 VAL 66 64.292 -3.554 9.555 490 HG12 VAL 66 HG12 VAL 66 63.762 -4.649 8.317 491 HG13 VAL 66 HG13 VAL 66 63.705 -2.903 8.008 492 HG21 VAL 66 HG21 VAL 66 66.021 -1.696 8.010 493 HG22 VAL 66 HG22 VAL 66 67.492 -2.657 7.873 494 HG23 VAL 66 HG23 VAL 66 66.627 -2.583 9.412 495 H GLU 67 HN GLU 67 64.928 -6.341 10.005 496 HA GLU 67 HA GLU 67 64.120 -8.324 8.204 497 HB2 GLU 67 HB2 GLU 67 64.064 -8.893 10.514 498 HB3 GLU 67 HB1 GLU 67 62.939 -7.576 10.864 499 HG2 GLU 67 HG2 GLU 67 61.243 -8.471 9.622 500 HG3 GLU 67 HG1 GLU 67 62.334 -9.564 8.801 501 H GLY 68 HN GLY 68 62.926 -8.113 6.734 502 HA2 GLY 68 HA2 GLY 68 60.418 -7.653 6.375 503 HA3 GLY 68 HA1 GLY 68 60.940 -5.974 6.559 504 H VAL 69 HN VAL 69 63.502 -6.556 5.465 505 HA VAL 69 HA VAL 69 62.841 -6.174 2.702 506 HB VAL 69 HB VAL 69 65.575 -6.303 4.023 507 HG11 VAL 69 HG11 VAL 69 66.289 -5.089 2.033 508 HG12 VAL 69 HG12 VAL 69 64.695 -5.411 1.319 509 HG13 VAL 69 HG13 VAL 69 65.767 -6.742 1.729 510 HG21 VAL 69 HG21 VAL 69 63.877 -3.907 3.316 511 HG22 VAL 69 HG22 VAL 69 65.524 -3.857 3.942 512 HG23 VAL 69 HG23 VAL 69 64.217 -4.481 4.949 513 H LEU 70 HN LEU 70 63.033 -7.631 1.124 514 HA LEU 70 HA LEU 70 63.732 -10.355 1.891 515 HB2 LEU 70 HB2 LEU 70 62.251 -9.271 -0.516 516 HB3 LEU 70 HB1 LEU 70 62.507 -10.966 -0.162 517 HG LEU 70 HG LEU 70 60.858 -9.076 1.525 518 HD11 LEU 70 HD11 LEU 70 58.940 -10.312 0.678 519 HD12 LEU 70 HD12 LEU 70 59.992 -11.251 -0.376 520 HD13 LEU 70 HD13 LEU 70 59.816 -9.509 -0.623 521 HD21 LEU 70 HD21 LEU 70 61.863 -10.871 2.837 522 HD22 LEU 70 HD22 LEU 70 61.243 -12.066 1.696 523 HD23 LEU 70 HD23 LEU 70 60.126 -11.111 2.669 524 H ALA 71 HN ALA 71 64.115 -7.993 -0.759 525 HA ALA 71 HA ALA 71 66.846 -8.922 -1.082 526 HB1 ALA 71 HB1 ALA 71 66.601 -9.069 -3.496 527 HB2 ALA 71 HB2 ALA 71 64.889 -8.702 -3.362 528 HB3 ALA 71 HB3 ALA 71 65.521 -10.213 -2.692 529 H VAL 72 HN VAL 72 68.144 -7.254 -1.389 530 HA VAL 72 HA VAL 72 66.952 -4.694 -2.206 531 HB VAL 72 HB VAL 72 69.624 -5.153 -0.830 532 HG11 VAL 72 HG11 VAL 72 69.688 -3.230 -2.357 533 HG12 VAL 72 HG12 VAL 72 69.779 -2.717 -0.674 534 HG13 VAL 72 HG13 VAL 72 68.263 -2.558 -1.562 535 HG21 VAL 72 HG21 VAL 72 67.035 -3.994 0.166 536 HG22 VAL 72 HG22 VAL 72 68.554 -3.877 1.030 537 HG23 VAL 72 HG23 VAL 72 67.831 -5.463 0.735 538 H SER 73 HN SER 73 67.116 -4.376 -4.259 539 HA SER 73 HA SER 73 69.353 -5.433 -5.747 540 HB2 SER 73 HB2 SER 73 66.791 -4.075 -6.502 541 HB3 SER 73 HB1 SER 73 67.937 -4.720 -7.689 542 HG SER 73 HG SER 73 67.541 -6.744 -6.878 543 H LEU 74 HN LEU 74 71.072 -4.176 -5.676 544 HA LEU 74 HA LEU 74 70.910 -1.354 -5.181 545 HB2 LEU 74 HB2 LEU 74 72.764 -3.321 -4.682 546 HB3 LEU 74 HB1 LEU 74 73.458 -2.528 -6.076 547 HG LEU 74 HG LEU 74 72.822 -1.253 -3.420 548 HD11 LEU 74 HD11 LEU 74 75.237 -0.965 -3.235 549 HD12 LEU 74 HD12 LEU 74 75.453 -1.863 -4.736 550 HD13 LEU 74 HD13 LEU 74 74.762 -2.659 -3.321 551 HD21 LEU 74 HD21 LEU 74 74.053 0.011 -5.876 552 HD22 LEU 74 HD22 LEU 74 73.895 0.773 -4.293 553 HD23 LEU 74 HD23 LEU 74 72.455 0.362 -5.219 554 H VAL 75 HN VAL 75 70.672 0.104 -6.757 555 HA VAL 75 HA VAL 75 70.620 -0.598 -9.518 556 HB VAL 75 HB VAL 75 70.378 2.047 -8.047 557 HG11 VAL 75 HG11 VAL 75 71.206 2.484 -10.346 558 HG12 VAL 75 HG12 VAL 75 69.535 3.022 -10.167 559 HG13 VAL 75 HG13 VAL 75 69.895 1.508 -11.001 560 HG21 VAL 75 HG21 VAL 75 68.011 1.856 -8.641 561 HG22 VAL 75 HG22 VAL 75 68.564 0.480 -7.683 562 HG23 VAL 75 HG23 VAL 75 68.337 0.308 -9.422 563 H TYR 76 HN TYR 76 73.111 0.395 -7.491 564 HA TYR 76 HA TYR 76 74.792 0.684 -9.860 565 HB2 TYR 76 HB2 TYR 76 74.502 2.757 -8.690 566 HB3 TYR 76 HB1 TYR 76 75.083 2.060 -7.193 567 HD1 TYR 76 HD2 TYR 76 76.195 2.769 -10.681 568 HD2 TYR 76 HD1 TYR 76 77.393 2.083 -6.659 569 HE1 TYR 76 HE2 TYR 76 78.515 3.345 -11.276 570 HE2 TYR 76 HE1 TYR 76 79.712 2.653 -7.241 571 HH TYR 76 HH TYR 76 81.149 2.700 -9.277 572 H HIS 77 HN HIS 77 75.774 -1.208 -10.030 573 HA HIS 77 HA HIS 77 76.985 -2.279 -7.622 574 HB2 HIS 77 HB2 HIS 77 76.418 -4.593 -8.366 575 HB3 HIS 77 HB1 HIS 77 75.010 -3.634 -7.936 576 HD1 HIS 77 HD1 HIS 77 76.524 -5.519 -10.785 577 HD2 HIS 77 HD2 HIS 77 73.379 -2.870 -10.143 578 HE1 HIS 77 HE1 HIS 77 75.076 -5.670 -12.806 579 H GLN 78 HN GLN 78 78.871 -3.373 -7.901 580 HA GLN 78 HA GLN 78 80.123 -3.102 -10.535 581 HB2 GLN 78 HB2 GLN 78 82.290 -3.027 -9.352 582 HB3 GLN 78 HB1 GLN 78 81.252 -1.742 -8.767 583 HG2 GLN 78 HG2 GLN 78 80.852 -2.847 -6.731 584 HG3 GLN 78 HG1 GLN 78 81.463 -4.378 -7.350 585 HE21 GLN 78 HE21 GLN 78 82.930 -4.672 -5.800 586 HE22 GLN 78 HE22 GLN 78 84.371 -3.754 -5.573 587 H GLN 79 HN GLN 79 82.063 -4.807 -10.463 588 HA GLN 79 HA GLN 79 80.892 -7.425 -10.186 589 HB2 GLN 79 HB2 GLN 79 83.099 -8.197 -10.973 590 HB3 GLN 79 HB1 GLN 79 82.425 -6.965 -12.033 591 HG2 GLN 79 HG2 GLN 79 83.889 -5.301 -11.163 592 HG3 GLN 79 HG1 GLN 79 84.407 -6.354 -9.853 593 HE21 GLN 79 HE21 GLN 79 85.815 -7.977 -10.270 594 HE22 GLN 79 HE22 GLN 79 86.792 -8.050 -11.695 595 H GLU 80 HN GLU 80 82.443 -9.101 -9.019 596 HA GLU 80 HA GLU 80 82.861 -8.169 -6.347 597 HB2 GLU 80 HB2 GLU 80 83.653 -10.421 -5.860 598 HB3 GLU 80 HB1 GLU 80 82.200 -10.527 -6.835 599 HG2 GLU 80 HG2 GLU 80 83.502 -11.030 -8.804 600 HG3 GLU 80 HG1 GLU 80 84.996 -10.784 -7.904 601 H GLU 81 HN GLU 81 84.980 -8.194 -5.319 602 HA GLU 81 HA GLU 81 86.905 -6.760 -6.767 603 HB2 GLU 81 HB2 GLU 81 87.166 -8.311 -4.198 604 HB3 GLU 81 HB1 GLU 81 88.425 -7.267 -4.848 605 HG2 GLU 81 HG2 GLU 81 85.658 -6.380 -4.062 606 HG3 GLU 81 HG1 GLU 81 87.113 -6.174 -3.080 607 H GLN 82 HN GLN 82 86.693 -10.118 -5.871 608 HA GLN 82 HA GLN 82 87.427 -12.033 -6.762 609 HB2 GLN 82 HB2 GLN 82 86.739 -11.126 -8.948 610 HB3 GLN 82 HB1 GLN 82 88.298 -10.340 -9.119 611 HG2 GLN 82 HG2 GLN 82 89.395 -12.500 -9.234 612 HG3 GLN 82 HG1 GLN 82 87.858 -13.316 -8.989 613 HE21 GLN 82 HE21 GLN 82 86.380 -11.443 -10.757 614 HE22 GLN 82 HE22 GLN 82 86.887 -11.885 -12.348 615 H GLY 83 HN GLY 83 89.823 -9.535 -7.307 616 HA2 GLY 83 HA2 GLY 83 91.862 -9.611 -5.969 617 HA3 GLY 83 HA1 GLY 83 91.834 -11.363 -6.176 618 H GLU 84 HN GLU 84 93.604 -8.951 -7.068 619 HA GLU 84 HA GLU 84 93.589 -9.578 -9.885 620 HB2 GLU 84 HB2 GLU 84 93.741 -7.195 -9.144 621 HB3 GLU 84 HB1 GLU 84 95.295 -7.560 -8.407 622 HG2 GLU 84 HG2 GLU 84 95.473 -6.465 -10.608 623 HG3 GLU 84 HG1 GLU 84 96.263 -8.037 -10.543 624 H GLU 85 HN GLU 85 94.902 -10.964 -10.747 625 HA GLU 85 HA GLU 85 96.462 -12.650 -9.042 626 HB2 GLU 85 HB2 GLU 85 96.246 -12.670 -12.050 627 HB3 GLU 85 HB1 GLU 85 96.844 -13.983 -11.046 628 HG2 GLU 85 HG2 GLU 85 94.624 -14.194 -10.024 629 HG3 GLU 85 HG1 GLU 85 94.036 -12.891 -11.052 630 H THR 86 HN THR 86 97.138 -9.975 -11.033 631 HA THR 86 HA THR 86 99.948 -10.127 -10.306 632 HB THR 86 HB THR 86 99.006 -9.388 -13.101 633 HG1 THR 86 HG1 THR 86 99.600 -11.797 -11.920 634 HG21 THR 86 HG21 THR 86 101.783 -9.928 -11.998 635 HG22 THR 86 HG22 THR 86 101.133 -8.335 -12.381 636 HG23 THR 86 HG23 THR 86 101.395 -9.516 -13.666 637 HA PRO 87 HA PRO 87 98.171 -6.206 -8.993 638 HB2 PRO 87 HB2 PRO 87 100.271 -5.204 -7.719 639 HB3 PRO 87 HB1 PRO 87 99.298 -6.519 -7.038 640 HG2 PRO 87 HG2 PRO 87 101.879 -6.733 -8.565 641 HG3 PRO 87 HG1 PRO 87 101.462 -7.495 -7.018 642 HD2 PRO 87 HD2 PRO 87 101.269 -8.864 -9.298 643 HD3 PRO 87 HD1 PRO 87 100.027 -9.047 -8.036 644 H ARG 88 HN ARG 88 98.514 -4.032 -9.257 645 HA ARG 88 HA ARG 88 99.915 -3.388 -11.725 646 HB2 ARG 88 HB2 ARG 88 98.489 -1.379 -11.709 647 HB3 ARG 88 HB1 ARG 88 97.550 -2.868 -11.628 648 HG2 ARG 88 HG2 ARG 88 97.255 -2.579 -9.263 649 HG3 ARG 88 HG1 ARG 88 98.219 -1.111 -9.275 650 HD2 ARG 88 HD2 ARG 88 95.533 -1.632 -10.573 651 HD3 ARG 88 HD1 ARG 88 95.884 -0.474 -9.295 652 HE ARG 88 HE ARG 88 96.589 -0.246 -12.123 653 HH11 ARG 88 HH11 ARG 88 96.340 1.313 -8.937 654 HH12 ARG 88 HH12 ARG 88 96.412 2.889 -9.587 655 HH21 ARG 88 HH21 ARG 88 96.742 1.924 -12.939 656 HH22 ARG 88 HH22 ARG 88 96.704 3.246 -11.870 657 H SER 89 HN SER 89 100.312 -0.686 -11.419 658 HA SER 89 HA SER 89 102.623 -0.628 -9.796 659 HB2 SER 89 HB2 SER 89 101.235 1.573 -11.331 660 HB3 SER 89 HB1 SER 89 102.888 1.609 -10.709 661 HG SER 89 HG SER 89 103.532 0.330 -12.215 662 H HIS 90 HN HIS 90 102.742 -0.065 -7.757 663 HA HIS 90 HA HIS 90 100.625 1.533 -6.516 664 HB2 HIS 90 HB2 HIS 90 102.640 -0.397 -5.314 665 HB3 HIS 90 HB1 HIS 90 101.652 0.707 -4.369 666 HD1 HIS 90 HD1 HIS 90 99.389 -0.165 -3.643 667 HD2 HIS 90 HD2 HIS 90 101.079 -2.429 -6.704 668 HE1 HIS 90 HE1 HIS 90 97.926 -2.198 -3.908 669 H HIS 91 HN HIS 91 101.269 3.389 -5.360 670 HA HIS 91 HA HIS 91 104.068 4.166 -5.780 671 HB2 HIS 91 HB2 HIS 91 101.617 5.914 -6.148 672 HB3 HIS 91 HB1 HIS 91 103.279 6.469 -6.243 673 HD1 HIS 91 HD1 HIS 91 100.603 5.108 -8.322 674 HD2 HIS 91 HD2 HIS 91 104.746 5.277 -8.447 675 HE1 HIS 91 HE1 HIS 91 101.255 4.548 -10.686 676 H HIS 92 HN HIS 92 103.266 3.014 -3.474 677 HA HIS 92 HA HIS 92 102.694 5.159 -1.573 678 HB2 HIS 92 HB2 HIS 92 103.285 2.252 -0.904 679 HB3 HIS 92 HB1 HIS 92 102.512 3.444 0.124 680 HD1 HIS 92 HD1 HIS 92 99.895 4.000 -0.536 681 HD2 HIS 92 HD2 HIS 92 101.681 0.763 -2.424 682 HE1 HIS 92 HE1 HIS 92 98.038 2.712 -1.601 683 H HIS 93 HN HIS 93 104.561 6.368 -1.611 684 HA HIS 93 HA HIS 93 107.000 4.873 -1.067 685 HB2 HIS 93 HB2 HIS 93 108.321 6.668 -2.155 686 HB3 HIS 93 HB1 HIS 93 107.201 5.897 -3.251 687 HD1 HIS 93 HD1 HIS 93 108.412 9.185 -2.285 688 HD2 HIS 93 HD2 HIS 93 104.805 7.628 -3.682 689 HE1 HIS 93 HE1 HIS 93 107.158 11.106 -3.299 690 H HIS 94 HN HIS 94 108.115 5.215 0.627 691 HA HIS 94 HA HIS 94 107.146 7.101 2.587 692 HB2 HIS 94 HB2 HIS 94 109.337 5.018 2.646 693 HB3 HIS 94 HB1 HIS 94 109.027 6.098 3.991 694 HD1 HIS 94 HD1 HIS 94 107.993 4.586 5.734 695 HD2 HIS 94 HD2 HIS 94 106.384 3.984 1.955 696 HE1 HIS 94 HE1 HIS 94 106.072 2.986 6.035 697 H HIS 95 HN HIS 95 109.621 6.835 0.279 698 HA HIS 95 HA HIS 95 110.479 9.512 0.941 699 HB2 HIS 95 HB2 HIS 95 112.186 7.899 1.845 700 HB3 HIS 95 HB1 HIS 95 112.371 7.240 0.227 701 HD1 HIS 95 HD1 HIS 95 113.241 10.253 2.310 702 HD2 HIS 95 HD2 HIS 95 113.893 8.781 -1.522 703 HE1 HIS 95 HE1 HIS 95 115.041 11.688 1.307 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 84.709 11.043 -5.852 2 H2 MET 1 HT2 MET 1 86.361 10.838 -5.742 3 H3 MET 1 HT3 MET 1 85.657 11.142 -7.247 4 HA MET 1 HA MET 1 86.782 13.070 -6.255 5 HB2 MET 1 HB2 MET 1 83.783 13.256 -6.593 6 HB3 MET 1 HB1 MET 1 84.792 14.665 -6.322 7 HG2 MET 1 HG2 MET 1 85.017 12.767 -8.655 8 HG3 MET 1 HG1 MET 1 84.277 14.365 -8.680 9 HE1 MET 1 HE1 MET 1 86.534 13.415 -10.695 10 HE2 MET 1 HE2 MET 1 87.582 14.830 -10.737 11 HE3 MET 1 HE3 MET 1 85.827 15.030 -10.744 12 H HIS 2 HN HIS 2 86.179 14.962 -4.721 13 HA HIS 2 HA HIS 2 85.598 13.764 -2.101 14 HB2 HIS 2 HB2 HIS 2 87.250 16.242 -2.702 15 HB3 HIS 2 HB1 HIS 2 87.005 15.515 -1.125 16 HD1 HIS 2 HD1 HIS 2 89.785 15.975 -2.741 17 HD2 HIS 2 HD2 HIS 2 87.757 12.406 -2.120 18 HE1 HIS 2 HE1 HIS 2 91.478 14.139 -3.072 19 H THR 3 HN THR 3 84.244 14.918 -0.744 20 HA THR 3 HA THR 3 82.691 16.330 -0.038 21 HB THR 3 HB THR 3 83.374 18.134 -2.376 22 HG1 THR 3 HG1 THR 3 84.446 17.769 0.214 23 HG21 THR 3 HG21 THR 3 82.403 19.903 -0.965 24 HG22 THR 3 HG22 THR 3 82.015 18.705 0.274 25 HG23 THR 3 HG23 THR 3 81.214 18.645 -1.294 26 H ASN 4 HN ASN 4 82.571 15.983 -3.560 27 HA ASN 4 HA ASN 4 79.709 15.960 -3.576 28 HB2 ASN 4 HB2 ASN 4 81.729 15.274 -5.716 29 HB3 ASN 4 HB1 ASN 4 79.995 15.076 -5.951 30 HD21 ASN 4 HD21 ASN 4 78.707 16.895 -6.193 31 HD22 ASN 4 HD22 ASN 4 79.365 18.467 -6.437 32 H TRP 5 HN TRP 5 78.862 14.494 -2.465 33 HA TRP 5 HA TRP 5 79.709 11.854 -2.101 34 HB2 TRP 5 HB2 TRP 5 77.156 11.622 -1.497 35 HB3 TRP 5 HB1 TRP 5 78.231 12.504 -0.444 36 HD1 TRP 5 HD1 TRP 5 77.601 14.988 0.041 37 HE1 TRP 5 HE1 TRP 5 75.780 16.583 -0.842 38 HE3 TRP 5 HE3 TRP 5 75.860 12.139 -3.633 39 HZ2 TRP 5 HZ2 TRP 5 73.825 16.604 -2.870 40 HZ3 TRP 5 HZ3 TRP 5 73.976 12.956 -5.085 41 HH2 TRP 5 HH2 TRP 5 72.990 15.169 -4.686 42 H GLN 6 HN GLN 6 78.329 9.997 -2.663 43 HA GLN 6 HA GLN 6 77.381 10.157 -5.415 44 HB2 GLN 6 HB2 GLN 6 78.205 7.715 -5.535 45 HB3 GLN 6 HB1 GLN 6 79.396 9.001 -5.651 46 HG2 GLN 6 HG2 GLN 6 79.964 8.718 -3.320 47 HG3 GLN 6 HG1 GLN 6 78.734 7.475 -3.144 48 HE21 GLN 6 HE21 GLN 6 81.628 7.538 -2.824 49 HE22 GLN 6 HE22 GLN 6 82.219 6.189 -3.748 50 H VAL 7 HN VAL 7 75.613 8.912 -5.918 51 HA VAL 7 HA VAL 7 74.056 8.167 -3.559 52 HB VAL 7 HB VAL 7 72.048 8.463 -4.903 53 HG11 VAL 7 HG11 VAL 7 72.820 10.378 -3.729 54 HG12 VAL 7 HG12 VAL 7 72.159 10.881 -5.285 55 HG13 VAL 7 HG13 VAL 7 73.909 10.801 -5.048 56 HG21 VAL 7 HG21 VAL 7 73.907 9.256 -7.135 57 HG22 VAL 7 HG22 VAL 7 72.145 9.421 -7.170 58 HG23 VAL 7 HG23 VAL 7 72.884 7.818 -7.095 59 H CYS 8 HN CYS 8 72.854 6.328 -3.548 60 HA CYS 8 HA CYS 8 73.072 4.520 -5.812 61 HB2 CYS 8 HB2 CYS 8 73.445 2.603 -4.365 62 HB3 CYS 8 HB1 CYS 8 74.736 3.770 -4.118 63 HG CYS 8 HG CYS 8 72.125 4.047 -2.055 64 H SER 9 HN SER 9 71.160 3.710 -6.317 65 HA SER 9 HA SER 9 68.945 4.211 -4.526 66 HB2 SER 9 HB2 SER 9 68.613 4.944 -6.801 67 HB3 SER 9 HB1 SER 9 69.060 3.358 -7.451 68 HG SER 9 HG SER 9 66.791 3.814 -7.355 69 H LEU 10 HN LEU 10 68.088 2.654 -3.441 70 HA LEU 10 HA LEU 10 69.006 -0.080 -3.925 71 HB2 LEU 10 HB2 LEU 10 68.003 1.249 -1.455 72 HB3 LEU 10 HB1 LEU 10 68.432 -0.438 -1.550 73 HG LEU 10 HG LEU 10 70.351 1.842 -2.000 74 HD11 LEU 10 HD11 LEU 10 70.005 0.011 0.392 75 HD12 LEU 10 HD12 LEU 10 69.630 1.735 0.349 76 HD13 LEU 10 HD13 LEU 10 71.301 1.187 0.197 77 HD21 LEU 10 HD21 LEU 10 70.800 -1.130 -1.755 78 HD22 LEU 10 HD22 LEU 10 72.073 0.088 -1.809 79 HD23 LEU 10 HD23 LEU 10 71.014 -0.138 -3.200 80 H VAL 11 HN VAL 11 67.589 -1.315 -4.709 81 HA VAL 11 HA VAL 11 64.782 -0.616 -4.635 82 HB VAL 11 HB VAL 11 66.316 -2.757 -6.140 83 HG11 VAL 11 HG11 VAL 11 63.370 -2.085 -6.375 84 HG12 VAL 11 HG12 VAL 11 64.048 -3.541 -5.642 85 HG13 VAL 11 HG13 VAL 11 64.277 -3.240 -7.365 86 HG21 VAL 11 HG21 VAL 11 66.715 -0.520 -6.971 87 HG22 VAL 11 HG22 VAL 11 64.977 -0.237 -7.081 88 HG23 VAL 11 HG23 VAL 11 65.743 -1.432 -8.133 89 H VAL 12 HN VAL 12 63.975 -1.127 -2.763 90 HA VAL 12 HA VAL 12 64.690 -3.618 -1.453 91 HB VAL 12 HB VAL 12 63.162 -1.196 -0.462 92 HG11 VAL 12 HG11 VAL 12 62.415 -3.202 0.685 93 HG12 VAL 12 HG12 VAL 12 63.370 -2.194 1.771 94 HG13 VAL 12 HG13 VAL 12 64.083 -3.633 1.051 95 HG21 VAL 12 HG21 VAL 12 65.967 -2.133 0.150 96 HG22 VAL 12 HG22 VAL 12 65.156 -0.759 0.902 97 HG23 VAL 12 HG23 VAL 12 65.523 -0.732 -0.823 98 H GLN 13 HN GLN 13 63.484 -5.210 -2.334 99 HA GLN 13 HA GLN 13 60.606 -4.798 -2.638 100 HB2 GLN 13 HB2 GLN 13 62.116 -5.933 -4.429 101 HB3 GLN 13 HB1 GLN 13 62.267 -7.241 -3.295 102 HG2 GLN 13 HG2 GLN 13 59.560 -6.384 -4.220 103 HG3 GLN 13 HG1 GLN 13 60.565 -7.429 -5.219 104 HE21 GLN 13 HE21 GLN 13 60.996 -9.462 -4.533 105 HE22 GLN 13 HE22 GLN 13 60.098 -10.269 -3.304 106 H ALA 14 HN ALA 14 59.528 -5.104 -0.801 107 HA ALA 14 HA ALA 14 60.414 -7.171 1.092 108 HB1 ALA 14 HB1 ALA 14 61.320 -4.999 1.778 109 HB2 ALA 14 HB2 ALA 14 60.126 -5.608 2.920 110 HB3 ALA 14 HB3 ALA 14 59.688 -4.329 1.784 111 H LYS 15 HN LYS 15 58.702 -7.390 2.891 112 HA LYS 15 HA LYS 15 56.251 -8.221 1.823 113 HB2 LYS 15 HB2 LYS 15 57.057 -7.568 4.634 114 HB3 LYS 15 HB1 LYS 15 55.390 -7.947 4.288 115 HG2 LYS 15 HG2 LYS 15 56.302 -9.959 5.043 116 HG3 LYS 15 HG1 LYS 15 56.306 -10.122 3.298 117 HD2 LYS 15 HD2 LYS 15 58.655 -9.736 3.204 118 HD3 LYS 15 HD1 LYS 15 58.696 -9.269 4.913 119 HE2 LYS 15 HE2 LYS 15 57.939 -11.499 5.546 120 HE3 LYS 15 HE1 LYS 15 57.922 -11.993 3.857 121 HZ1 LYS 15 HZ1 LYS 15 60.302 -11.218 5.461 122 HZ2 LYS 15 HZ2 LYS 15 60.362 -11.592 3.836 123 HZ3 LYS 15 HZ3 LYS 15 59.902 -12.756 4.945 124 H SER 16 HN SER 16 54.463 -7.260 1.267 125 HA SER 16 HA SER 16 54.343 -4.489 0.960 126 HB2 SER 16 HB2 SER 16 53.325 -5.983 -0.612 127 HB3 SER 16 HB1 SER 16 52.224 -6.619 0.612 128 HG SER 16 HG SER 16 52.241 -4.113 -0.694 129 H GLU 17 HN GLU 17 52.849 -6.609 3.376 130 HA GLU 17 HA GLU 17 51.294 -4.438 4.461 131 HB2 GLU 17 HB2 GLU 17 50.515 -6.004 6.144 132 HB3 GLU 17 HB1 GLU 17 50.464 -6.773 4.568 133 HG2 GLU 17 HG2 GLU 17 52.588 -7.930 5.109 134 HG3 GLU 17 HG1 GLU 17 52.540 -7.177 6.695 135 H ARG 18 HN ARG 18 54.497 -5.298 4.699 136 HA ARG 18 HA ARG 18 54.777 -4.243 7.432 137 HB2 ARG 18 HB2 ARG 18 55.730 -6.531 6.817 138 HB3 ARG 18 HB1 ARG 18 56.836 -5.656 5.771 139 HG2 ARG 18 HG2 ARG 18 57.822 -4.533 7.645 140 HG3 ARG 18 HG1 ARG 18 56.650 -5.285 8.735 141 HD2 ARG 18 HD2 ARG 18 57.499 -7.439 8.289 142 HD3 ARG 18 HD1 ARG 18 58.560 -6.843 7.011 143 HE ARG 18 HE ARG 18 59.193 -5.529 9.397 144 HH11 ARG 18 HH11 ARG 18 59.267 -8.848 8.195 145 HH12 ARG 18 HH12 ARG 18 60.729 -9.243 8.969 146 HH21 ARG 18 HH21 ARG 18 61.200 -6.113 10.514 147 HH22 ARG 18 HH22 ARG 18 61.820 -7.682 10.337 148 H ILE 19 HN ILE 19 54.692 -3.170 4.441 149 HA ILE 19 HA ILE 19 57.069 -1.842 3.922 150 HB ILE 19 HB ILE 19 54.260 -1.359 2.974 151 HG12 ILE 19 HG12 ILE 19 55.438 -3.360 2.238 152 HG13 ILE 19 HG11 ILE 19 55.058 -2.332 0.866 153 HG21 ILE 19 HG21 ILE 19 55.122 0.177 1.248 154 HG22 ILE 19 HG22 ILE 19 56.682 0.174 2.085 155 HG23 ILE 19 HG23 ILE 19 55.250 0.813 2.892 156 HD11 ILE 19 HD11 ILE 19 57.737 -2.701 2.222 157 HD12 ILE 19 HD12 ILE 19 57.418 -1.544 0.927 158 HD13 ILE 19 HD13 ILE 19 57.253 -3.273 0.625 159 H SER 20 HN SER 20 54.331 -0.681 5.843 160 HA SER 20 HA SER 20 55.203 2.003 5.977 161 HB2 SER 20 HB2 SER 20 52.874 1.226 6.492 162 HB3 SER 20 HB1 SER 20 53.477 0.493 7.972 163 HG SER 20 HG SER 20 53.863 3.245 7.437 164 H ASP 21 HN ASP 21 55.751 -0.789 8.050 165 HA ASP 21 HA ASP 21 57.270 0.484 10.072 166 HB2 ASP 21 HB2 ASP 21 57.269 -2.380 9.104 167 HB3 ASP 21 HB1 ASP 21 58.251 -1.820 10.448 168 H ILE 22 HN ILE 22 58.209 -1.314 7.195 169 HA ILE 22 HA ILE 22 60.982 -0.991 7.558 170 HB ILE 22 HB ILE 22 59.423 -1.645 5.029 171 HG12 ILE 22 HG12 ILE 22 60.876 -3.418 6.998 172 HG13 ILE 22 HG11 ILE 22 59.136 -3.190 6.930 173 HG21 ILE 22 HG21 ILE 22 61.534 -2.548 4.166 174 HG22 ILE 22 HG22 ILE 22 62.377 -1.978 5.606 175 HG23 ILE 22 HG23 ILE 22 61.666 -0.817 4.479 176 HD11 ILE 22 HD11 ILE 22 59.103 -4.167 4.694 177 HD12 ILE 22 HD12 ILE 22 59.802 -5.266 5.883 178 HD13 ILE 22 HD13 ILE 22 60.853 -4.381 4.770 179 H SER 23 HN SER 23 58.663 1.010 5.733 180 HA SER 23 HA SER 23 60.528 2.642 4.413 181 HB2 SER 23 HB2 SER 23 57.793 3.425 5.463 182 HB3 SER 23 HB1 SER 23 58.710 4.283 4.230 183 HG SER 23 HG SER 23 57.738 1.624 4.061 184 H THR 24 HN THR 24 59.374 2.721 7.721 185 HA THR 24 HA THR 24 60.290 5.402 8.212 186 HB THR 24 HB THR 24 59.418 3.239 10.167 187 HG1 THR 24 HG1 THR 24 57.589 3.520 9.005 188 HG21 THR 24 HG21 THR 24 60.568 5.173 11.191 189 HG22 THR 24 HG22 THR 24 58.861 5.139 11.625 190 HG23 THR 24 HG23 THR 24 59.434 6.263 10.390 191 H GLN 25 HN GLN 25 61.273 2.106 8.739 192 HA GLN 25 HA GLN 25 63.521 2.533 10.302 193 HB2 GLN 25 HB2 GLN 25 62.310 0.451 8.663 194 HB3 GLN 25 HB1 GLN 25 63.958 0.159 9.115 195 HG2 GLN 25 HG2 GLN 25 63.247 0.467 11.498 196 HG3 GLN 25 HG1 GLN 25 61.594 0.670 10.921 197 HE21 GLN 25 HE21 GLN 25 60.521 -1.076 10.146 198 HE22 GLN 25 HE22 GLN 25 61.005 -2.712 10.434 199 H LEU 26 HN LEU 26 63.105 2.148 6.734 200 HA LEU 26 HA LEU 26 65.798 2.296 6.105 201 HB2 LEU 26 HB2 LEU 26 63.375 3.031 4.453 202 HB3 LEU 26 HB1 LEU 26 64.976 2.749 3.866 203 HG LEU 26 HG LEU 26 63.251 0.666 5.182 204 HD11 LEU 26 HD11 LEU 26 63.073 -0.293 2.939 205 HD12 LEU 26 HD12 LEU 26 63.939 1.093 2.284 206 HD13 LEU 26 HD13 LEU 26 62.365 1.314 3.038 207 HD21 LEU 26 HD21 LEU 26 65.920 0.421 3.793 208 HD22 LEU 26 HD22 LEU 26 64.937 -0.921 4.380 209 HD23 LEU 26 HD23 LEU 26 65.626 0.227 5.525 210 H ASN 27 HN ASN 27 63.285 4.726 6.519 211 HA ASN 27 HA ASN 27 64.621 6.969 5.481 212 HB2 ASN 27 HB2 ASN 27 62.171 6.705 5.949 213 HB3 ASN 27 HB1 ASN 27 62.536 6.878 7.659 214 HD21 ASN 27 HD21 ASN 27 62.038 8.414 4.714 215 HD22 ASN 27 HD22 ASN 27 62.261 10.034 5.217 216 H ALA 28 HN ALA 28 64.794 5.300 8.520 217 HA ALA 28 HA ALA 28 65.749 7.459 10.104 218 HB1 ALA 28 HB1 ALA 28 64.501 5.553 11.031 219 HB2 ALA 28 HB2 ALA 28 66.046 5.803 11.836 220 HB3 ALA 28 HB3 ALA 28 65.868 4.507 10.652 221 H PHE 29 HN PHE 29 67.344 5.472 7.798 222 HA PHE 29 HA PHE 29 69.780 5.395 9.162 223 HB2 PHE 29 HB2 PHE 29 68.860 4.722 6.418 224 HB3 PHE 29 HB1 PHE 29 70.543 4.591 6.877 225 HD1 PHE 29 HD2 PHE 29 70.745 3.318 9.275 226 HD2 PHE 29 HD1 PHE 29 67.687 2.850 6.393 227 HE1 PHE 29 HE2 PHE 29 70.254 1.108 10.201 228 HE2 PHE 29 HE1 PHE 29 67.156 0.602 7.306 229 HZ PHE 29 HZ PHE 29 68.445 -0.266 9.212 230 HA PRO 30 HA PRO 30 71.493 9.315 7.977 231 HB2 PRO 30 HB2 PRO 30 74.044 7.907 7.456 232 HB3 PRO 30 HB1 PRO 30 73.696 9.187 8.623 233 HG2 PRO 30 HG2 PRO 30 74.103 6.683 9.422 234 HG3 PRO 30 HG1 PRO 30 72.881 7.706 10.204 235 HD2 PRO 30 HD2 PRO 30 72.512 5.534 8.174 236 HD3 PRO 30 HD1 PRO 30 71.576 5.897 9.643 237 H GLY 31 HN GLY 31 70.976 10.161 6.078 238 HA2 GLY 31 HA2 GLY 31 71.276 10.805 3.898 239 HA3 GLY 31 HA1 GLY 31 72.581 9.639 3.776 240 H CYS 32 HN CYS 32 69.899 8.008 4.898 241 HA CYS 32 HA CYS 32 69.393 6.988 2.221 242 HB2 CYS 32 HB2 CYS 32 68.722 5.868 4.908 243 HB3 CYS 32 HB1 CYS 32 68.690 5.012 3.375 244 HG CYS 32 HG CYS 32 71.649 6.306 4.462 245 H GLU 33 HN GLU 33 67.588 7.957 1.374 246 HA GLU 33 HA GLU 33 65.302 8.201 3.212 247 HB2 GLU 33 HB2 GLU 33 66.312 10.407 2.446 248 HB3 GLU 33 HB1 GLU 33 65.759 9.985 0.829 249 HG2 GLU 33 HG2 GLU 33 63.453 9.762 1.794 250 HG3 GLU 33 HG1 GLU 33 64.086 10.454 3.278 251 H VAL 34 HN VAL 34 63.383 7.448 2.476 252 HA VAL 34 HA VAL 34 63.428 5.687 0.205 253 HB VAL 34 HB VAL 34 61.085 6.512 1.937 254 HG11 VAL 34 HG11 VAL 34 60.120 4.356 1.245 255 HG12 VAL 34 HG12 VAL 34 61.523 4.071 0.217 256 HG13 VAL 34 HG13 VAL 34 60.433 5.409 -0.135 257 HG21 VAL 34 HG21 VAL 34 61.505 4.487 3.263 258 HG22 VAL 34 HG22 VAL 34 62.845 5.639 3.351 259 HG23 VAL 34 HG23 VAL 34 62.979 4.203 2.338 260 H ALA 35 HN ALA 35 63.166 6.550 -1.746 261 HA ALA 35 HA ALA 35 61.953 9.183 -2.029 262 HB1 ALA 35 HB1 ALA 35 63.328 7.495 -4.115 263 HB2 ALA 35 HB2 ALA 35 64.109 8.731 -3.126 264 HB3 ALA 35 HB3 ALA 35 62.859 9.188 -4.280 265 H VAL 36 HN VAL 36 61.623 6.044 -3.620 266 HA VAL 36 HA VAL 36 58.908 6.854 -4.410 267 HB VAL 36 HB VAL 36 60.654 4.762 -5.743 268 HG11 VAL 36 HG11 VAL 36 59.024 4.829 -7.550 269 HG12 VAL 36 HG12 VAL 36 58.058 5.990 -6.637 270 HG13 VAL 36 HG13 VAL 36 58.274 4.353 -6.024 271 HG21 VAL 36 HG21 VAL 36 61.639 6.964 -6.080 272 HG22 VAL 36 HG22 VAL 36 60.086 7.590 -6.638 273 HG23 VAL 36 HG23 VAL 36 60.939 6.366 -7.584 274 H SER 37 HN SER 37 57.404 5.853 -3.233 275 HA SER 37 HA SER 37 58.051 3.210 -2.170 276 HB2 SER 37 HB2 SER 37 55.915 5.096 -1.162 277 HB3 SER 37 HB1 SER 37 56.567 3.636 -0.396 278 HG SER 37 HG SER 37 57.536 6.170 -0.338 279 H ASP 38 HN ASP 38 57.091 1.599 -3.210 280 HA ASP 38 HA ASP 38 54.403 2.033 -4.326 281 HB2 ASP 38 HB2 ASP 38 56.176 1.688 -6.105 282 HB3 ASP 38 HB1 ASP 38 56.501 0.118 -5.361 283 H ALA 39 HN ALA 39 53.415 1.360 -2.500 284 HA ALA 39 HA ALA 39 54.054 -0.908 -0.993 285 HB1 ALA 39 HB1 ALA 39 51.907 -0.643 0.094 286 HB2 ALA 39 HB2 ALA 39 51.338 0.396 -1.212 287 HB3 ALA 39 HB3 ALA 39 52.648 0.937 -0.161 288 HA PRO 40 HA PRO 40 50.483 -3.188 -3.798 289 HB2 PRO 40 HB2 PRO 40 51.149 -2.615 -6.446 290 HB3 PRO 40 HB1 PRO 40 49.793 -1.893 -5.570 291 HG2 PRO 40 HG2 PRO 40 52.606 -0.928 -5.792 292 HG3 PRO 40 HG1 PRO 40 51.222 0.054 -6.185 293 HD2 PRO 40 HD2 PRO 40 52.234 0.427 -3.914 294 HD3 PRO 40 HD1 PRO 40 50.518 -0.071 -3.837 295 H SER 41 HN SER 41 53.735 -2.455 -5.177 296 HA SER 41 HA SER 41 54.098 -5.275 -5.744 297 HB2 SER 41 HB2 SER 41 56.098 -3.044 -6.106 298 HB3 SER 41 HB1 SER 41 56.049 -4.605 -6.937 299 HG SER 41 HG SER 41 54.479 -2.332 -7.222 300 H GLY 42 HN GLY 42 54.951 -2.922 -3.367 301 HA2 GLY 42 HA2 GLY 42 55.767 -3.377 -1.233 302 HA3 GLY 42 HA1 GLY 42 56.283 -4.966 -1.788 303 H GLN 43 HN GLN 43 57.029 -2.123 -3.639 304 HA GLN 43 HA GLN 43 59.825 -2.576 -2.983 305 HB2 GLN 43 HB2 GLN 43 58.523 -1.504 -5.447 306 HB3 GLN 43 HB1 GLN 43 60.261 -1.468 -5.158 307 HG2 GLN 43 HG2 GLN 43 60.362 -3.844 -5.086 308 HG3 GLN 43 HG1 GLN 43 58.609 -3.973 -5.156 309 HE21 GLN 43 HE21 GLN 43 60.337 -1.626 -7.041 310 HE22 GLN 43 HE22 GLN 43 60.074 -2.362 -8.557 311 H LEU 44 HN LEU 44 60.880 -1.134 -2.019 312 HA LEU 44 HA LEU 44 59.973 1.659 -2.020 313 HB2 LEU 44 HB2 LEU 44 61.550 0.140 0.072 314 HB3 LEU 44 HB1 LEU 44 61.147 1.844 0.130 315 HG LEU 44 HG LEU 44 59.071 -0.343 0.140 316 HD11 LEU 44 HD11 LEU 44 60.239 1.213 2.443 317 HD12 LEU 44 HD12 LEU 44 60.484 -0.505 2.127 318 HD13 LEU 44 HD13 LEU 44 58.880 0.097 2.544 319 HD21 LEU 44 HD21 LEU 44 57.633 1.491 0.971 320 HD22 LEU 44 HD22 LEU 44 58.247 1.777 -0.651 321 HD23 LEU 44 HD23 LEU 44 58.973 2.607 0.722 322 H ILE 45 HN ILE 45 61.281 2.926 -3.081 323 HA ILE 45 HA ILE 45 63.971 2.039 -3.777 324 HB ILE 45 HB ILE 45 62.334 4.438 -4.635 325 HG12 ILE 45 HG12 ILE 45 61.570 2.299 -5.589 326 HG13 ILE 45 HG11 ILE 45 62.244 3.342 -6.841 327 HG21 ILE 45 HG21 ILE 45 64.077 4.956 -6.262 328 HG22 ILE 45 HG22 ILE 45 65.074 3.658 -5.615 329 HG23 ILE 45 HG23 ILE 45 64.686 5.056 -4.608 330 HD11 ILE 45 HD11 ILE 45 64.311 2.019 -6.743 331 HD12 ILE 45 HD12 ILE 45 62.891 1.059 -7.157 332 HD13 ILE 45 HD13 ILE 45 63.556 0.979 -5.530 333 H VAL 46 HN VAL 46 65.572 2.601 -2.518 334 HA VAL 46 HA VAL 46 65.224 4.953 -0.788 335 HB VAL 46 HB VAL 46 67.009 2.540 -0.340 336 HG11 VAL 46 HG11 VAL 46 67.979 4.598 0.592 337 HG12 VAL 46 HG12 VAL 46 67.460 3.508 1.874 338 HG13 VAL 46 HG13 VAL 46 66.478 4.913 1.464 339 HG21 VAL 46 HG21 VAL 46 64.498 3.377 1.111 340 HG22 VAL 46 HG22 VAL 46 65.539 2.026 1.533 341 HG23 VAL 46 HG23 VAL 46 64.653 2.010 0.006 342 H VAL 47 HN VAL 47 66.465 6.614 -1.215 343 HA VAL 47 HA VAL 47 68.788 6.161 -2.925 344 HB VAL 47 HB VAL 47 67.291 8.756 -2.404 345 HG11 VAL 47 HG11 VAL 47 68.678 9.675 -4.229 346 HG12 VAL 47 HG12 VAL 47 69.551 8.143 -4.317 347 HG13 VAL 47 HG13 VAL 47 69.660 9.138 -2.864 348 HG21 VAL 47 HG21 VAL 47 66.543 8.548 -4.750 349 HG22 VAL 47 HG22 VAL 47 65.965 7.217 -3.755 350 HG23 VAL 47 HG23 VAL 47 67.325 6.972 -4.846 351 H VAL 48 HN VAL 48 70.611 6.173 -1.959 352 HA VAL 48 HA VAL 48 70.944 7.549 0.637 353 HB VAL 48 HB VAL 48 72.540 5.244 -0.478 354 HG11 VAL 48 HG11 VAL 48 73.765 6.526 1.130 355 HG12 VAL 48 HG12 VAL 48 73.348 4.957 1.816 356 HG13 VAL 48 HG13 VAL 48 72.448 6.396 2.295 357 HG21 VAL 48 HG21 VAL 48 70.270 4.455 -0.123 358 HG22 VAL 48 HG22 VAL 48 70.290 5.093 1.524 359 HG23 VAL 48 HG23 VAL 48 71.351 3.758 1.082 360 H GLU 49 HN GLU 49 72.499 9.190 0.606 361 HA GLU 49 HA GLU 49 74.481 8.873 -1.497 362 HB2 GLU 49 HB2 GLU 49 74.741 11.231 -1.822 363 HB3 GLU 49 HB1 GLU 49 73.034 10.866 -1.909 364 HG2 GLU 49 HG2 GLU 49 74.346 12.020 0.526 365 HG3 GLU 49 HG1 GLU 49 73.671 12.982 -0.783 366 H ALA 50 HN ALA 50 76.445 8.587 -0.920 367 HA ALA 50 HA ALA 50 77.211 9.407 1.779 368 HB1 ALA 50 HB1 ALA 50 77.918 6.766 0.521 369 HB2 ALA 50 HB2 ALA 50 76.723 7.001 1.798 370 HB3 ALA 50 HB3 ALA 50 78.431 7.333 2.110 371 H GLU 51 HN GLU 51 79.455 9.611 2.079 372 HA GLU 51 HA GLU 51 80.678 11.162 0.069 373 HB2 GLU 51 HB2 GLU 51 81.920 9.881 2.478 374 HB3 GLU 51 HB1 GLU 51 82.590 11.236 1.593 375 HG2 GLU 51 HG2 GLU 51 80.029 11.212 3.174 376 HG3 GLU 51 HG1 GLU 51 81.560 11.918 3.681 377 H ASP 52 HN ASP 52 82.130 8.296 1.564 378 HA ASP 52 HA ASP 52 83.527 7.805 -0.944 379 HB2 ASP 52 HB2 ASP 52 84.068 6.751 1.841 380 HB3 ASP 52 HB1 ASP 52 84.957 6.235 0.414 381 H SER 53 HN SER 53 83.800 5.592 -1.658 382 HA SER 53 HA SER 53 81.265 4.454 -2.034 383 HB2 SER 53 HB2 SER 53 83.943 3.215 -2.621 384 HB3 SER 53 HB1 SER 53 82.405 2.867 -3.418 385 HG SER 53 HG SER 53 84.075 4.490 -4.293 386 H GLU 54 HN GLU 54 83.996 3.451 -0.019 387 HA GLU 54 HA GLU 54 82.710 1.052 0.776 388 HB2 GLU 54 HB2 GLU 54 84.512 0.906 2.479 389 HB3 GLU 54 HB1 GLU 54 85.091 1.093 0.837 390 HG2 GLU 54 HG2 GLU 54 85.441 3.508 1.303 391 HG3 GLU 54 HG1 GLU 54 85.003 3.194 2.986 392 H THR 55 HN THR 55 82.804 4.311 2.076 393 HA THR 55 HA THR 55 81.532 3.908 4.517 394 HB THR 55 HB THR 55 81.152 6.242 2.625 395 HG1 THR 55 HG1 THR 55 83.191 6.799 4.095 396 HG21 THR 55 HG21 THR 55 81.149 7.555 4.686 397 HG22 THR 55 HG22 THR 55 81.419 6.089 5.638 398 HG23 THR 55 HG23 THR 55 79.903 6.307 4.762 399 H LEU 56 HN LEU 56 80.395 4.379 1.217 400 HA LEU 56 HA LEU 56 77.628 4.468 1.631 401 HB2 LEU 56 HB2 LEU 56 78.794 5.098 -0.474 402 HB3 LEU 56 HB1 LEU 56 79.202 3.422 -0.731 403 HG LEU 56 HG LEU 56 76.795 2.900 -0.983 404 HD11 LEU 56 HD11 LEU 56 75.209 4.729 -1.284 405 HD12 LEU 56 HD12 LEU 56 76.455 5.893 -0.844 406 HD13 LEU 56 HD13 LEU 56 75.872 4.725 0.347 407 HD21 LEU 56 HD21 LEU 56 76.554 3.944 -3.187 408 HD22 LEU 56 HD22 LEU 56 78.185 3.323 -2.934 409 HD23 LEU 56 HD23 LEU 56 77.874 5.051 -2.805 410 H ILE 57 HN ILE 57 79.804 1.769 0.868 411 HA ILE 57 HA ILE 57 77.962 -0.319 0.836 412 HB ILE 57 HB ILE 57 80.849 -0.410 1.762 413 HG12 ILE 57 HG12 ILE 57 80.665 0.429 -0.511 414 HG13 ILE 57 HG11 ILE 57 81.338 -1.191 -0.528 415 HG21 ILE 57 HG21 ILE 57 79.081 -2.699 0.881 416 HG22 ILE 57 HG22 ILE 57 79.649 -2.392 2.521 417 HG23 ILE 57 HG23 ILE 57 80.805 -2.808 1.255 418 HD11 ILE 57 HD11 ILE 57 78.501 -0.422 -1.197 419 HD12 ILE 57 HD12 ILE 57 79.130 -2.068 -1.171 420 HD13 ILE 57 HD13 ILE 57 79.764 -0.897 -2.331 421 H GLN 58 HN GLN 58 79.849 0.896 3.596 422 HA GLN 58 HA GLN 58 78.921 -0.826 5.580 423 HB2 GLN 58 HB2 GLN 58 79.658 2.094 5.802 424 HB3 GLN 58 HB1 GLN 58 79.420 1.035 7.180 425 HG2 GLN 58 HG2 GLN 58 81.522 0.737 5.046 426 HG3 GLN 58 HG1 GLN 58 81.769 1.319 6.691 427 HE21 GLN 58 HE21 GLN 58 82.904 -0.960 5.269 428 HE22 GLN 58 HE22 GLN 58 82.528 -2.350 6.217 429 H THR 59 HN THR 59 77.557 2.160 4.404 430 HA THR 59 HA THR 59 75.401 2.310 6.197 431 HB THR 59 HB THR 59 75.644 3.476 3.401 432 HG1 THR 59 HG1 THR 59 77.382 4.237 4.584 433 HG21 THR 59 HG21 THR 59 73.369 3.589 4.337 434 HG22 THR 59 HG22 THR 59 74.105 5.193 4.272 435 HG23 THR 59 HG23 THR 59 74.011 4.328 5.803 436 H ILE 60 HN ILE 60 75.672 1.054 2.880 437 HA ILE 60 HA ILE 60 73.030 0.261 2.510 438 HB ILE 60 HB ILE 60 75.562 -0.924 1.319 439 HG12 ILE 60 HG12 ILE 60 73.579 1.068 0.188 440 HG13 ILE 60 HG11 ILE 60 75.156 1.475 0.847 441 HG21 ILE 60 HG21 ILE 60 72.698 -1.324 0.429 442 HG22 ILE 60 HG22 ILE 60 73.759 -2.551 1.116 443 HG23 ILE 60 HG23 ILE 60 74.126 -1.853 -0.460 444 HD11 ILE 60 HD11 ILE 60 76.229 0.188 -0.923 445 HD12 ILE 60 HD12 ILE 60 75.175 1.441 -1.585 446 HD13 ILE 60 HD13 ILE 60 74.646 -0.241 -1.570 447 H GLU 61 HN GLU 61 75.726 -1.486 3.998 448 HA GLU 61 HA GLU 61 74.390 -3.929 4.331 449 HB2 GLU 61 HB2 GLU 61 76.510 -2.756 6.132 450 HB3 GLU 61 HB1 GLU 61 75.984 -4.428 6.140 451 HG2 GLU 61 HG2 GLU 61 76.716 -4.416 3.661 452 HG3 GLU 61 HG1 GLU 61 77.615 -2.968 4.114 453 H SER 62 HN SER 62 74.579 -1.120 6.474 454 HA SER 62 HA SER 62 73.076 -2.292 8.551 455 HB2 SER 62 HB2 SER 62 74.555 -0.248 8.797 456 HB3 SER 62 HB1 SER 62 73.319 0.671 7.941 457 HG SER 62 HG SER 62 73.382 -0.281 10.524 458 H VAL 63 HN VAL 63 72.159 -0.453 5.678 459 HA VAL 63 HA VAL 63 69.406 -0.152 6.231 460 HB VAL 63 HB VAL 63 70.774 -0.472 3.522 461 HG11 VAL 63 HG11 VAL 63 68.819 0.650 2.570 462 HG12 VAL 63 HG12 VAL 63 68.057 0.671 4.159 463 HG13 VAL 63 HG13 VAL 63 68.359 -0.870 3.347 464 HG21 VAL 63 HG21 VAL 63 71.634 1.424 4.801 465 HG22 VAL 63 HG22 VAL 63 69.990 2.028 5.017 466 HG23 VAL 63 HG23 VAL 63 70.700 1.971 3.408 467 H ARG 64 HN ARG 64 71.223 -2.779 4.801 468 HA ARG 64 HA ARG 64 68.924 -4.340 4.161 469 HB2 ARG 64 HB2 ARG 64 71.829 -5.114 4.334 470 HB3 ARG 64 HB1 ARG 64 70.554 -6.187 3.782 471 HG2 ARG 64 HG2 ARG 64 70.044 -4.602 1.974 472 HG3 ARG 64 HG1 ARG 64 71.397 -3.599 2.505 473 HD2 ARG 64 HD2 ARG 64 71.605 -6.476 1.621 474 HD3 ARG 64 HD1 ARG 64 71.949 -5.085 0.602 475 HE ARG 64 HE ARG 64 73.788 -4.562 2.069 476 HH11 ARG 64 HH11 ARG 64 72.438 -7.847 2.495 477 HH12 ARG 64 HH12 ARG 64 73.931 -8.513 2.940 478 HH21 ARG 64 HH21 ARG 64 75.862 -5.595 2.636 479 HH22 ARG 64 HH22 ARG 64 75.840 -7.241 3.058 480 H ASN 65 HN ASN 65 70.393 -3.661 7.069 481 HA ASN 65 HA ASN 65 70.026 -6.190 8.341 482 HB2 ASN 65 HB2 ASN 65 70.702 -3.456 9.329 483 HB3 ASN 65 HB1 ASN 65 70.136 -4.655 10.487 484 HD21 ASN 65 HD21 ASN 65 72.120 -5.526 7.696 485 HD22 ASN 65 HD22 ASN 65 73.528 -5.872 8.597 486 H VAL 66 HN VAL 66 67.832 -3.935 7.283 487 HA VAL 66 HA VAL 66 65.854 -4.584 9.293 488 HB VAL 66 HB VAL 66 65.459 -3.229 6.601 489 HG11 VAL 66 HG11 VAL 66 63.499 -4.319 7.502 490 HG12 VAL 66 HG12 VAL 66 63.282 -2.551 7.565 491 HG13 VAL 66 HG13 VAL 66 63.707 -3.473 9.022 492 HG21 VAL 66 HG21 VAL 66 66.914 -1.896 8.066 493 HG22 VAL 66 HG22 VAL 66 65.717 -2.002 9.357 494 HG23 VAL 66 HG23 VAL 66 65.341 -1.127 7.872 495 H GLU 67 HN GLU 67 65.341 -6.698 9.268 496 HA GLU 67 HA GLU 67 65.518 -8.083 6.797 497 HB2 GLU 67 HB2 GLU 67 65.157 -9.067 9.587 498 HB3 GLU 67 HB1 GLU 67 65.559 -10.021 8.162 499 HG2 GLU 67 HG2 GLU 67 67.565 -8.694 7.825 500 HG3 GLU 67 HG1 GLU 67 67.148 -7.766 9.264 501 H GLY 68 HN GLY 68 63.617 -6.796 6.234 502 HA2 GLY 68 HA2 GLY 68 61.352 -8.671 6.384 503 HA3 GLY 68 HA1 GLY 68 61.073 -6.929 6.448 504 H VAL 69 HN VAL 69 63.731 -7.668 4.642 505 HA VAL 69 HA VAL 69 62.346 -6.961 2.183 506 HB VAL 69 HB VAL 69 65.334 -7.089 2.694 507 HG11 VAL 69 HG11 VAL 69 65.465 -5.561 0.782 508 HG12 VAL 69 HG12 VAL 69 63.735 -5.779 0.524 509 HG13 VAL 69 HG13 VAL 69 64.825 -7.155 0.374 510 HG21 VAL 69 HG21 VAL 69 64.356 -5.501 4.257 511 HG22 VAL 69 HG22 VAL 69 63.501 -4.704 2.938 512 HG23 VAL 69 HG23 VAL 69 65.265 -4.652 3.003 513 H LEU 70 HN LEU 70 62.289 -8.316 0.491 514 HA LEU 70 HA LEU 70 63.090 -11.084 0.908 515 HB2 LEU 70 HB2 LEU 70 61.561 -9.773 -1.339 516 HB3 LEU 70 HB1 LEU 70 61.753 -11.503 -1.096 517 HG LEU 70 HG LEU 70 60.186 -9.612 0.664 518 HD11 LEU 70 HD11 LEU 70 59.081 -10.152 -1.426 519 HD12 LEU 70 HD12 LEU 70 58.273 -10.908 -0.050 520 HD13 LEU 70 HD13 LEU 70 59.303 -11.872 -1.107 521 HD21 LEU 70 HD21 LEU 70 59.520 -11.595 1.896 522 HD22 LEU 70 HD22 LEU 70 61.264 -11.335 1.997 523 HD23 LEU 70 HD23 LEU 70 60.613 -12.576 0.924 524 H ALA 71 HN ALA 71 63.309 -8.594 -1.591 525 HA ALA 71 HA ALA 71 65.895 -9.708 -2.353 526 HB1 ALA 71 HB1 ALA 71 63.755 -8.658 -4.215 527 HB2 ALA 71 HB2 ALA 71 64.217 -10.351 -4.025 528 HB3 ALA 71 HB3 ALA 71 65.368 -9.193 -4.689 529 H VAL 72 HN VAL 72 67.384 -8.233 -1.924 530 HA VAL 72 HA VAL 72 66.587 -5.467 -2.288 531 HB VAL 72 HB VAL 72 67.256 -5.813 0.024 532 HG11 VAL 72 HG11 VAL 72 69.857 -6.909 -1.001 533 HG12 VAL 72 HG12 VAL 72 68.587 -7.797 -0.153 534 HG13 VAL 72 HG13 VAL 72 69.493 -6.538 0.687 535 HG21 VAL 72 HG21 VAL 72 69.420 -4.347 -1.483 536 HG22 VAL 72 HG22 VAL 72 69.070 -4.163 0.237 537 HG23 VAL 72 HG23 VAL 72 67.876 -3.679 -0.964 538 H SER 73 HN SER 73 67.156 -4.706 -4.068 539 HA SER 73 HA SER 73 69.506 -5.772 -5.412 540 HB2 SER 73 HB2 SER 73 67.005 -4.473 -6.455 541 HB3 SER 73 HB1 SER 73 68.334 -4.960 -7.497 542 HG SER 73 HG SER 73 67.871 -7.045 -6.082 543 H LEU 74 HN LEU 74 71.197 -4.555 -5.348 544 HA LEU 74 HA LEU 74 71.071 -1.722 -4.773 545 HB2 LEU 74 HB2 LEU 74 72.862 -3.621 -4.120 546 HB3 LEU 74 HB1 LEU 74 73.526 -3.163 -5.671 547 HG LEU 74 HG LEU 74 73.223 -1.378 -3.253 548 HD11 LEU 74 HD11 LEU 74 75.669 -1.407 -3.215 549 HD12 LEU 74 HD12 LEU 74 75.659 -2.568 -4.542 550 HD13 LEU 74 HD13 LEU 74 74.971 -3.007 -2.982 551 HD21 LEU 74 HD21 LEU 74 74.487 -0.766 -5.921 552 HD22 LEU 74 HD22 LEU 74 74.501 0.290 -4.507 553 HD23 LEU 74 HD23 LEU 74 72.976 -0.085 -5.322 554 H VAL 75 HN VAL 75 70.911 -0.243 -6.405 555 HA VAL 75 HA VAL 75 70.512 -1.007 -9.084 556 HB VAL 75 HB VAL 75 69.753 1.074 -7.730 557 HG11 VAL 75 HG11 VAL 75 72.299 2.145 -8.891 558 HG12 VAL 75 HG12 VAL 75 71.853 2.027 -7.188 559 HG13 VAL 75 HG13 VAL 75 70.993 3.143 -8.252 560 HG21 VAL 75 HG21 VAL 75 70.462 1.300 -10.660 561 HG22 VAL 75 HG22 VAL 75 69.302 2.323 -9.810 562 HG23 VAL 75 HG23 VAL 75 68.987 0.598 -9.993 563 H TYR 76 HN TYR 76 73.376 -0.469 -7.445 564 HA TYR 76 HA TYR 76 74.846 0.167 -9.899 565 HB2 TYR 76 HB2 TYR 76 74.787 1.649 -7.857 566 HB3 TYR 76 HB1 TYR 76 75.781 0.451 -7.049 567 HD1 TYR 76 HD2 TYR 76 75.709 2.778 -9.931 568 HD2 TYR 76 HD1 TYR 76 78.160 0.434 -7.365 569 HE1 TYR 76 HE2 TYR 76 77.707 3.852 -10.861 570 HE2 TYR 76 HE1 TYR 76 80.168 1.513 -8.291 571 HH TYR 76 HH TYR 76 80.745 2.677 -10.493 572 H HIS 77 HN HIS 77 73.830 -2.467 -8.798 573 HA HIS 77 HA HIS 77 76.348 -3.878 -9.158 574 HB2 HIS 77 HB2 HIS 77 75.786 -3.901 -6.700 575 HB3 HIS 77 HB1 HIS 77 74.256 -4.665 -7.101 576 HD1 HIS 77 HD1 HIS 77 74.311 -7.216 -7.652 577 HD2 HIS 77 HD2 HIS 77 78.047 -5.548 -6.946 578 HE1 HIS 77 HE1 HIS 77 75.909 -9.144 -7.429 579 H GLN 78 HN GLN 78 76.019 -4.909 -11.005 580 HA GLN 78 HA GLN 78 73.308 -5.574 -11.760 581 HB2 GLN 78 HB2 GLN 78 75.849 -5.722 -13.391 582 HB3 GLN 78 HB1 GLN 78 74.216 -5.969 -13.996 583 HG2 GLN 78 HG2 GLN 78 75.366 -3.408 -12.906 584 HG3 GLN 78 HG1 GLN 78 74.989 -3.771 -14.586 585 HE21 GLN 78 HE21 GLN 78 74.025 -1.672 -12.780 586 HE22 GLN 78 HE22 GLN 78 72.305 -1.786 -12.801 587 H GLN 79 HN GLN 79 72.749 -7.351 -10.676 588 HA GLN 79 HA GLN 79 74.477 -9.640 -10.477 589 HB2 GLN 79 HB2 GLN 79 72.819 -9.245 -8.713 590 HB3 GLN 79 HB1 GLN 79 71.522 -9.286 -9.890 591 HG2 GLN 79 HG2 GLN 79 71.598 -11.363 -8.618 592 HG3 GLN 79 HG1 GLN 79 71.975 -11.654 -10.317 593 HE21 GLN 79 HE21 GLN 79 74.056 -12.288 -10.892 594 HE22 GLN 79 HE22 GLN 79 75.205 -12.818 -9.728 595 H GLU 80 HN GLU 80 71.529 -8.775 -12.177 596 HA GLU 80 HA GLU 80 70.650 -9.340 -14.189 597 HB2 GLU 80 HB2 GLU 80 73.435 -10.348 -14.784 598 HB3 GLU 80 HB1 GLU 80 72.211 -9.953 -15.973 599 HG2 GLU 80 HG2 GLU 80 72.297 -7.613 -15.312 600 HG3 GLU 80 HG1 GLU 80 73.464 -8.014 -14.059 601 H GLU 81 HN GLU 81 70.993 -11.471 -15.866 602 HA GLU 81 HA GLU 81 69.905 -13.657 -14.417 603 HB2 GLU 81 HB2 GLU 81 69.997 -14.840 -16.566 604 HB3 GLU 81 HB1 GLU 81 69.283 -13.242 -16.738 605 HG2 GLU 81 HG2 GLU 81 71.209 -12.373 -17.772 606 HG3 GLU 81 HG1 GLU 81 72.186 -13.748 -17.269 607 H GLN 82 HN GLN 82 73.052 -12.649 -15.242 608 HA GLN 82 HA GLN 82 74.300 -15.198 -15.431 609 HB2 GLN 82 HB2 GLN 82 75.119 -13.251 -16.649 610 HB3 GLN 82 HB1 GLN 82 75.477 -12.443 -15.135 611 HG2 GLN 82 HG2 GLN 82 77.487 -13.311 -16.119 612 HG3 GLN 82 HG1 GLN 82 77.132 -14.187 -14.631 613 HE21 GLN 82 HE21 GLN 82 77.284 -14.341 -18.069 614 HE22 GLN 82 HE22 GLN 82 77.152 -16.055 -18.208 615 H GLY 83 HN GLY 83 74.609 -16.456 -13.752 616 HA2 GLY 83 HA2 GLY 83 75.224 -15.270 -11.141 617 HA3 GLY 83 HA1 GLY 83 74.546 -16.880 -11.404 618 H GLU 84 HN GLU 84 77.044 -15.951 -10.081 619 HA GLU 84 HA GLU 84 79.313 -16.616 -11.639 620 HB2 GLU 84 HB2 GLU 84 79.027 -16.873 -8.634 621 HB3 GLU 84 HB1 GLU 84 80.510 -16.664 -9.543 622 HG2 GLU 84 HG2 GLU 84 78.305 -14.631 -9.287 623 HG3 GLU 84 HG1 GLU 84 79.817 -14.631 -8.389 624 H GLU 85 HN GLU 85 78.177 -18.375 -8.832 625 HA GLU 85 HA GLU 85 78.034 -20.868 -10.179 626 HB2 GLU 85 HB2 GLU 85 79.574 -21.943 -8.464 627 HB3 GLU 85 HB1 GLU 85 80.387 -20.924 -9.637 628 HG2 GLU 85 HG2 GLU 85 80.379 -19.104 -7.926 629 HG3 GLU 85 HG1 GLU 85 79.775 -20.286 -6.762 630 H THR 86 HN THR 86 76.080 -21.332 -9.649 631 HA THR 86 HA THR 86 75.115 -20.438 -7.062 632 HB THR 86 HB THR 86 73.539 -20.882 -9.604 633 HG1 THR 86 HG1 THR 86 73.643 -18.323 -9.045 634 HG21 THR 86 HG21 THR 86 71.817 -19.577 -8.435 635 HG22 THR 86 HG22 THR 86 72.873 -19.421 -7.034 636 HG23 THR 86 HG23 THR 86 72.249 -21.002 -7.494 637 HA PRO 87 HA PRO 87 74.921 -24.917 -6.617 638 HB2 PRO 87 HB2 PRO 87 74.683 -24.928 -3.968 639 HB3 PRO 87 HB1 PRO 87 76.210 -24.459 -4.798 640 HG2 PRO 87 HG2 PRO 87 74.081 -22.726 -3.588 641 HG3 PRO 87 HG1 PRO 87 75.839 -22.612 -3.410 642 HD2 PRO 87 HD2 PRO 87 74.407 -21.118 -5.173 643 HD3 PRO 87 HD1 PRO 87 76.102 -21.572 -5.429 644 H ARG 88 HN ARG 88 72.576 -23.467 -7.373 645 HA ARG 88 HA ARG 88 70.484 -24.710 -5.706 646 HB2 ARG 88 HB2 ARG 88 70.307 -22.376 -7.618 647 HB3 ARG 88 HB1 ARG 88 68.937 -23.064 -6.756 648 HG2 ARG 88 HG2 ARG 88 69.913 -22.420 -4.639 649 HG3 ARG 88 HG1 ARG 88 71.339 -21.773 -5.447 650 HD2 ARG 88 HD2 ARG 88 69.826 -20.188 -6.675 651 HD3 ARG 88 HD1 ARG 88 68.475 -20.814 -5.732 652 HE ARG 88 HE ARG 88 70.656 -19.819 -4.170 653 HH11 ARG 88 HH11 ARG 88 67.615 -18.986 -5.781 654 HH12 ARG 88 HH12 ARG 88 67.379 -17.521 -4.951 655 HH21 ARG 88 HH21 ARG 88 70.330 -17.760 -2.989 656 HH22 ARG 88 HH22 ARG 88 68.957 -16.811 -3.311 657 H SER 89 HN SER 89 72.211 -25.778 -7.863 658 HA SER 89 HA SER 89 70.110 -26.827 -9.610 659 HB2 SER 89 HB2 SER 89 73.008 -26.273 -10.324 660 HB3 SER 89 HB1 SER 89 71.775 -26.918 -11.407 661 HG SER 89 HG SER 89 70.896 -24.668 -10.269 662 H HIS 90 HN HIS 90 70.915 -29.035 -10.500 663 HA HIS 90 HA HIS 90 72.040 -30.527 -8.290 664 HB2 HIS 90 HB2 HIS 90 69.990 -31.398 -9.407 665 HB3 HIS 90 HB1 HIS 90 70.882 -31.511 -10.916 666 HD1 HIS 90 HD1 HIS 90 70.608 -33.203 -7.542 667 HD2 HIS 90 HD2 HIS 90 72.485 -33.720 -11.212 668 HE1 HIS 90 HE1 HIS 90 71.576 -35.533 -7.516 669 H HIS 91 HN HIS 91 74.126 -30.092 -8.300 670 HA HIS 91 HA HIS 91 75.653 -30.205 -10.751 671 HB2 HIS 91 HB2 HIS 91 76.635 -29.824 -7.901 672 HB3 HIS 91 HB1 HIS 91 77.577 -29.559 -9.360 673 HD1 HIS 91 HD1 HIS 91 77.156 -27.276 -10.639 674 HD2 HIS 91 HD2 HIS 91 74.800 -27.831 -7.257 675 HE1 HIS 91 HE1 HIS 91 76.059 -25.067 -10.171 676 H HIS 92 HN HIS 92 75.659 -31.804 -7.588 677 HA HIS 92 HA HIS 92 75.756 -34.403 -8.554 678 HB2 HIS 92 HB2 HIS 92 78.110 -34.982 -7.792 679 HB3 HIS 92 HB1 HIS 92 78.006 -34.113 -9.312 680 HD1 HIS 92 HD1 HIS 92 79.734 -32.324 -9.498 681 HD2 HIS 92 HD2 HIS 92 78.707 -33.074 -5.542 682 HE1 HIS 92 HE1 HIS 92 81.207 -30.836 -8.099 683 H HIS 93 HN HIS 93 75.717 -35.931 -6.880 684 HA HIS 93 HA HIS 93 75.528 -34.775 -4.186 685 HB2 HIS 93 HB2 HIS 93 74.437 -37.348 -5.351 686 HB3 HIS 93 HB1 HIS 93 74.566 -37.103 -3.618 687 HD1 HIS 93 HD1 HIS 93 72.002 -37.193 -5.881 688 HD2 HIS 93 HD2 HIS 93 73.220 -34.254 -3.207 689 HE1 HIS 93 HE1 HIS 93 69.974 -35.787 -5.413 690 H HIS 94 HN HIS 94 77.659 -35.988 -6.134 691 HA HIS 94 HA HIS 94 79.734 -36.686 -6.010 692 HB2 HIS 94 HB2 HIS 94 79.863 -35.443 -3.803 693 HB3 HIS 94 HB1 HIS 94 79.476 -36.953 -2.991 694 HD1 HIS 94 HD1 HIS 94 82.229 -35.354 -5.057 695 HD2 HIS 94 HD2 HIS 94 81.605 -38.626 -2.579 696 HE1 HIS 94 HE1 HIS 94 84.502 -36.327 -4.609 697 H HIS 95 HN HIS 95 79.478 -38.353 -7.165 698 HA HIS 95 HA HIS 95 79.641 -40.962 -6.002 699 HB2 HIS 95 HB2 HIS 95 77.188 -40.631 -6.098 700 HB3 HIS 95 HB1 HIS 95 77.288 -40.155 -7.778 701 HD1 HIS 95 HD1 HIS 95 77.135 -43.152 -5.540 702 HD2 HIS 95 HD2 HIS 95 77.623 -42.315 -9.575 703 HE1 HIS 95 HE1 HIS 95 76.675 -45.298 -6.757 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 88.271 16.797 -2.795 2 H2 MET 1 HT2 MET 1 89.458 17.960 -2.868 3 H3 MET 1 HT3 MET 1 88.544 17.599 -4.252 4 HA MET 1 HA MET 1 87.574 18.796 -1.718 5 HB2 MET 1 HB2 MET 1 88.857 20.351 -3.184 6 HB3 MET 1 HB1 MET 1 87.738 19.988 -4.487 7 HG2 MET 1 HG2 MET 1 87.255 22.126 -3.401 8 HG3 MET 1 HG1 MET 1 85.920 20.978 -3.264 9 HE1 MET 1 HE1 MET 1 85.749 23.031 0.075 10 HE2 MET 1 HE2 MET 1 84.885 22.561 -1.394 11 HE3 MET 1 HE3 MET 1 86.277 23.639 -1.490 12 H HIS 2 HN HIS 2 86.599 18.217 -5.125 13 HA HIS 2 HA HIS 2 84.010 17.470 -4.065 14 HB2 HIS 2 HB2 HIS 2 84.798 18.440 -6.832 15 HB3 HIS 2 HB1 HIS 2 83.242 17.701 -6.488 16 HD1 HIS 2 HD1 HIS 2 81.446 19.214 -5.518 17 HD2 HIS 2 HD2 HIS 2 85.209 20.968 -5.515 18 HE1 HIS 2 HE1 HIS 2 81.089 21.617 -4.854 19 H THR 3 HN THR 3 84.267 15.470 -3.552 20 HA THR 3 HA THR 3 85.983 13.629 -4.834 21 HB THR 3 HB THR 3 83.769 12.860 -2.991 22 HG1 THR 3 HG1 THR 3 84.523 14.065 -1.424 23 HG21 THR 3 HG21 THR 3 86.723 12.188 -3.125 24 HG22 THR 3 HG22 THR 3 85.416 11.182 -3.754 25 HG23 THR 3 HG23 THR 3 85.549 11.475 -2.019 26 H ASN 4 HN ASN 4 82.715 14.597 -5.127 27 HA ASN 4 HA ASN 4 80.877 13.926 -6.134 28 HB2 ASN 4 HB2 ASN 4 82.100 14.027 -8.244 29 HB3 ASN 4 HB1 ASN 4 82.744 12.408 -7.995 30 HD21 ASN 4 HD21 ASN 4 79.838 14.246 -8.645 31 HD22 ASN 4 HD22 ASN 4 78.943 12.946 -9.337 32 H TRP 5 HN TRP 5 80.042 13.053 -4.527 33 HA TRP 5 HA TRP 5 80.605 10.555 -3.447 34 HB2 TRP 5 HB2 TRP 5 78.519 10.867 -2.160 35 HB3 TRP 5 HB1 TRP 5 79.621 12.223 -2.076 36 HD1 TRP 5 HD1 TRP 5 78.136 13.037 -5.209 37 HE1 TRP 5 HE1 TRP 5 76.044 14.504 -4.957 38 HE3 TRP 5 HE3 TRP 5 77.165 12.198 -0.274 39 HZ2 TRP 5 HZ2 TRP 5 74.234 15.232 -2.916 40 HZ3 TRP 5 HZ3 TRP 5 75.281 13.285 0.751 41 HH2 TRP 5 HH2 TRP 5 73.816 14.800 -0.544 42 H GLN 6 HN GLN 6 79.189 8.739 -3.229 43 HA GLN 6 HA GLN 6 78.223 7.990 -5.844 44 HB2 GLN 6 HB2 GLN 6 78.527 6.312 -3.342 45 HB3 GLN 6 HB1 GLN 6 78.238 5.719 -4.970 46 HG2 GLN 6 HG2 GLN 6 80.451 6.621 -5.645 47 HG3 GLN 6 HG1 GLN 6 80.728 7.090 -3.972 48 HE21 GLN 6 HE21 GLN 6 82.496 5.776 -3.747 49 HE22 GLN 6 HE22 GLN 6 82.386 4.049 -3.687 50 H VAL 7 HN VAL 7 76.176 8.221 -6.256 51 HA VAL 7 HA VAL 7 74.240 7.962 -4.097 52 HB VAL 7 HB VAL 7 72.718 9.463 -5.456 53 HG11 VAL 7 HG11 VAL 7 73.942 10.367 -3.563 54 HG12 VAL 7 HG12 VAL 7 73.841 11.576 -4.845 55 HG13 VAL 7 HG13 VAL 7 75.338 10.680 -4.590 56 HG21 VAL 7 HG21 VAL 7 73.706 10.913 -7.191 57 HG22 VAL 7 HG22 VAL 7 73.797 9.213 -7.651 58 HG23 VAL 7 HG23 VAL 7 75.230 10.042 -7.045 59 H CYS 8 HN CYS 8 73.147 6.171 -4.254 60 HA CYS 8 HA CYS 8 72.678 5.075 -6.941 61 HB2 CYS 8 HB2 CYS 8 73.319 3.304 -4.576 62 HB3 CYS 8 HB1 CYS 8 73.373 2.923 -6.295 63 HG CYS 8 HG CYS 8 75.413 5.250 -6.160 64 H SER 9 HN SER 9 70.811 3.821 -7.090 65 HA SER 9 HA SER 9 68.830 4.433 -5.060 66 HB2 SER 9 HB2 SER 9 68.268 5.128 -7.333 67 HB3 SER 9 HB1 SER 9 68.559 3.497 -7.944 68 HG SER 9 HG SER 9 66.401 3.700 -7.679 69 H LEU 10 HN LEU 10 67.857 2.811 -4.003 70 HA LEU 10 HA LEU 10 68.741 0.080 -4.600 71 HB2 LEU 10 HB2 LEU 10 67.809 1.280 -2.027 72 HB3 LEU 10 HB1 LEU 10 68.199 -0.396 -2.233 73 HG LEU 10 HG LEU 10 70.123 1.916 -2.385 74 HD11 LEU 10 HD11 LEU 10 71.067 0.914 -0.348 75 HD12 LEU 10 HD12 LEU 10 69.813 -0.322 -0.375 76 HD13 LEU 10 HD13 LEU 10 69.377 1.368 -0.119 77 HD21 LEU 10 HD21 LEU 10 70.816 0.190 -3.935 78 HD22 LEU 10 HD22 LEU 10 70.620 -1.047 -2.696 79 HD23 LEU 10 HD23 LEU 10 71.877 0.176 -2.524 80 H VAL 11 HN VAL 11 67.224 -1.136 -5.352 81 HA VAL 11 HA VAL 11 64.446 -0.367 -4.893 82 HB VAL 11 HB VAL 11 65.551 -2.557 -6.703 83 HG11 VAL 11 HG11 VAL 11 63.284 -2.626 -7.654 84 HG12 VAL 11 HG12 VAL 11 62.749 -1.433 -6.470 85 HG13 VAL 11 HG13 VAL 11 63.275 -3.030 -5.938 86 HG21 VAL 11 HG21 VAL 11 66.160 -0.325 -7.493 87 HG22 VAL 11 HG22 VAL 11 64.463 0.163 -7.424 88 HG23 VAL 11 HG23 VAL 11 64.982 -1.077 -8.569 89 H VAL 12 HN VAL 12 63.941 -0.996 -2.960 90 HA VAL 12 HA VAL 12 64.881 -3.556 -1.983 91 HB VAL 12 HB VAL 12 63.296 -1.410 -0.562 92 HG11 VAL 12 HG11 VAL 12 63.059 -3.636 0.423 93 HG12 VAL 12 HG12 VAL 12 63.918 -2.527 1.489 94 HG13 VAL 12 HG13 VAL 12 64.814 -3.748 0.587 95 HG21 VAL 12 HG21 VAL 12 65.398 -0.790 0.537 96 HG22 VAL 12 HG22 VAL 12 65.469 -0.546 -1.212 97 HG23 VAL 12 HG23 VAL 12 66.257 -1.947 -0.481 98 H GLN 13 HN GLN 13 63.685 -5.146 -2.752 99 HA GLN 13 HA GLN 13 60.794 -4.952 -2.889 100 HB2 GLN 13 HB2 GLN 13 62.652 -7.339 -3.208 101 HB3 GLN 13 HB1 GLN 13 60.939 -7.315 -3.594 102 HG2 GLN 13 HG2 GLN 13 61.337 -5.711 -5.366 103 HG3 GLN 13 HG1 GLN 13 63.052 -5.663 -4.959 104 HE21 GLN 13 HE21 GLN 13 60.515 -7.493 -6.432 105 HE22 GLN 13 HE22 GLN 13 61.522 -8.646 -7.220 106 H ALA 14 HN ALA 14 59.656 -5.267 -1.078 107 HA ALA 14 HA ALA 14 60.850 -6.872 1.066 108 HB1 ALA 14 HB1 ALA 14 59.814 -4.064 1.375 109 HB2 ALA 14 HB2 ALA 14 61.498 -4.584 1.516 110 HB3 ALA 14 HB3 ALA 14 60.305 -5.127 2.692 111 H LYS 15 HN LYS 15 59.284 -7.223 2.833 112 HA LYS 15 HA LYS 15 56.796 -8.227 2.007 113 HB2 LYS 15 HB2 LYS 15 57.779 -7.372 4.730 114 HB3 LYS 15 HB1 LYS 15 56.135 -7.906 4.518 115 HG2 LYS 15 HG2 LYS 15 57.481 -9.688 5.431 116 HG3 LYS 15 HG1 LYS 15 56.995 -10.115 3.800 117 HD2 LYS 15 HD2 LYS 15 59.152 -9.752 2.959 118 HD3 LYS 15 HD1 LYS 15 59.650 -8.856 4.388 119 HE2 LYS 15 HE2 LYS 15 60.629 -11.088 4.391 120 HE3 LYS 15 HE1 LYS 15 59.503 -10.885 5.730 121 HZ1 LYS 15 HZ1 LYS 15 59.012 -12.395 3.211 122 HZ2 LYS 15 HZ2 LYS 15 57.832 -12.072 4.340 123 HZ3 LYS 15 HZ3 LYS 15 59.155 -13.011 4.767 124 H SER 16 HN SER 16 55.140 -7.154 1.273 125 HA SER 16 HA SER 16 55.019 -4.372 1.189 126 HB2 SER 16 HB2 SER 16 52.815 -6.359 0.666 127 HB3 SER 16 HB1 SER 16 52.985 -4.728 -0.011 128 HG SER 16 HG SER 16 55.238 -6.024 -0.430 129 H GLU 17 HN GLU 17 53.683 -6.689 3.428 130 HA GLU 17 HA GLU 17 51.824 -4.883 4.670 131 HB2 GLU 17 HB2 GLU 17 51.594 -6.588 6.375 132 HB3 GLU 17 HB1 GLU 17 51.487 -7.309 4.771 133 HG2 GLU 17 HG2 GLU 17 53.673 -8.237 4.969 134 HG3 GLU 17 HG1 GLU 17 54.003 -7.291 6.415 135 H ARG 18 HN ARG 18 55.177 -5.505 4.935 136 HA ARG 18 HA ARG 18 55.346 -4.288 7.607 137 HB2 ARG 18 HB2 ARG 18 56.295 -6.587 7.119 138 HB3 ARG 18 HB1 ARG 18 57.491 -5.759 6.133 139 HG2 ARG 18 HG2 ARG 18 58.294 -4.538 8.032 140 HG3 ARG 18 HG1 ARG 18 57.010 -5.205 9.037 141 HD2 ARG 18 HD2 ARG 18 59.088 -6.783 7.631 142 HD3 ARG 18 HD1 ARG 18 59.170 -6.300 9.339 143 HE ARG 18 HE ARG 18 56.750 -7.614 8.858 144 HH11 ARG 18 HH11 ARG 18 60.221 -8.383 9.092 145 HH12 ARG 18 HH12 ARG 18 59.968 -10.004 9.527 146 HH21 ARG 18 HH21 ARG 18 56.417 -9.873 9.483 147 HH22 ARG 18 HH22 ARG 18 57.775 -10.856 9.750 148 H ILE 19 HN ILE 19 55.306 -3.316 4.571 149 HA ILE 19 HA ILE 19 57.623 -1.833 4.216 150 HB ILE 19 HB ILE 19 54.866 -1.590 3.077 151 HG12 ILE 19 HG12 ILE 19 57.595 -2.027 1.853 152 HG13 ILE 19 HG11 ILE 19 56.406 -3.272 2.187 153 HG21 ILE 19 HG21 ILE 19 55.633 0.288 1.597 154 HG22 ILE 19 HG22 ILE 19 57.005 0.487 2.714 155 HG23 ILE 19 HG23 ILE 19 55.367 0.713 3.287 156 HD11 ILE 19 HD11 ILE 19 56.557 -2.628 -0.164 157 HD12 ILE 19 HD12 ILE 19 56.011 -1.000 0.260 158 HD13 ILE 19 HD13 ILE 19 54.955 -2.396 0.521 159 H SER 20 HN SER 20 54.701 -0.982 5.988 160 HA SER 20 HA SER 20 55.138 1.668 6.516 161 HB2 SER 20 HB2 SER 20 54.067 -0.377 8.455 162 HB3 SER 20 HB1 SER 20 53.589 1.314 8.286 163 HG SER 20 HG SER 20 52.065 0.358 7.168 164 H ASP 21 HN ASP 21 56.472 -1.211 8.062 165 HA ASP 21 HA ASP 21 57.839 0.133 10.195 166 HB2 ASP 21 HB2 ASP 21 58.320 -2.638 9.073 167 HB3 ASP 21 HB1 ASP 21 58.820 -2.045 10.644 168 H ILE 22 HN ILE 22 58.783 -1.613 7.304 169 HA ILE 22 HA ILE 22 61.559 -1.258 7.482 170 HB ILE 22 HB ILE 22 59.897 -1.789 4.998 171 HG12 ILE 22 HG12 ILE 22 61.237 -3.758 6.850 172 HG13 ILE 22 HG11 ILE 22 59.529 -3.349 6.903 173 HG21 ILE 22 HG21 ILE 22 62.193 -1.124 4.458 174 HG22 ILE 22 HG22 ILE 22 61.936 -2.832 4.109 175 HG23 ILE 22 HG23 ILE 22 62.818 -2.351 5.558 176 HD11 ILE 22 HD11 ILE 22 59.312 -4.154 4.581 177 HD12 ILE 22 HD12 ILE 22 59.808 -5.390 5.722 178 HD13 ILE 22 HD13 ILE 22 61.005 -4.657 4.640 179 H SER 23 HN SER 23 59.165 0.659 5.624 180 HA SER 23 HA SER 23 61.104 2.240 4.323 181 HB2 SER 23 HB2 SER 23 58.701 1.965 3.592 182 HB3 SER 23 HB1 SER 23 58.223 2.971 4.949 183 HG SER 23 HG SER 23 59.103 3.718 2.522 184 H THR 24 HN THR 24 59.670 2.413 7.490 185 HA THR 24 HA THR 24 60.385 5.167 7.950 186 HB THR 24 HB THR 24 59.516 2.980 9.877 187 HG1 THR 24 HG1 THR 24 57.744 3.301 8.733 188 HG21 THR 24 HG21 THR 24 58.938 4.828 11.397 189 HG22 THR 24 HG22 THR 24 59.564 5.989 10.229 190 HG23 THR 24 HG23 THR 24 60.658 4.851 11.014 191 H GLN 25 HN GLN 25 61.595 1.995 8.595 192 HA GLN 25 HA GLN 25 63.772 2.706 10.207 193 HB2 GLN 25 HB2 GLN 25 62.610 0.387 8.930 194 HB3 GLN 25 HB1 GLN 25 64.314 0.203 9.183 195 HG2 GLN 25 HG2 GLN 25 63.998 0.663 11.568 196 HG3 GLN 25 HG1 GLN 25 62.290 0.981 11.280 197 HE21 GLN 25 HE21 GLN 25 60.917 -0.694 11.025 198 HE22 GLN 25 HE22 GLN 25 61.357 -2.336 11.314 199 H LEU 26 HN LEU 26 63.504 1.958 6.673 200 HA LEU 26 HA LEU 26 66.226 2.176 6.170 201 HB2 LEU 26 HB2 LEU 26 63.898 2.638 4.303 202 HB3 LEU 26 HB1 LEU 26 65.551 2.355 3.875 203 HG LEU 26 HG LEU 26 63.679 0.388 5.140 204 HD11 LEU 26 HD11 LEU 26 64.986 0.431 2.432 205 HD12 LEU 26 HD12 LEU 26 63.288 0.754 2.780 206 HD13 LEU 26 HD13 LEU 26 63.957 -0.850 3.064 207 HD21 LEU 26 HD21 LEU 26 66.594 0.087 4.455 208 HD22 LEU 26 HD22 LEU 26 65.519 -1.244 4.884 209 HD23 LEU 26 HD23 LEU 26 65.872 0.018 6.063 210 H ASN 27 HN ASN 27 63.552 4.543 6.158 211 HA ASN 27 HA ASN 27 65.096 6.609 5.003 212 HB2 ASN 27 HB2 ASN 27 62.547 6.163 5.012 213 HB3 ASN 27 HB1 ASN 27 62.586 6.891 6.607 214 HD21 ASN 27 HD21 ASN 27 61.289 8.547 5.877 215 HD22 ASN 27 HD22 ASN 27 61.985 9.807 4.912 216 H ALA 28 HN ALA 28 65.262 5.190 7.986 217 HA ALA 28 HA ALA 28 65.532 7.627 9.526 218 HB1 ALA 28 HB1 ALA 28 65.868 4.763 10.404 219 HB2 ALA 28 HB2 ALA 28 64.396 5.726 10.549 220 HB3 ALA 28 HB3 ALA 28 65.838 6.174 11.460 221 H PHE 29 HN PHE 29 67.663 5.542 7.705 222 HA PHE 29 HA PHE 29 69.879 5.999 9.356 223 HB2 PHE 29 HB2 PHE 29 69.701 4.958 6.533 224 HB3 PHE 29 HB1 PHE 29 71.078 4.896 7.606 225 HD1 PHE 29 HD1 PHE 29 70.461 3.755 9.980 226 HD2 PHE 29 HD2 PHE 29 68.547 3.061 6.265 227 HE1 PHE 29 HE1 PHE 29 69.704 1.552 10.800 228 HE2 PHE 29 HE2 PHE 29 67.764 0.844 7.071 229 HZ PHE 29 HZ PHE 29 68.350 0.098 9.341 230 HA PRO 30 HA PRO 30 70.994 9.924 7.475 231 HB2 PRO 30 HB2 PRO 30 73.797 9.292 8.015 232 HB3 PRO 30 HB1 PRO 30 72.787 10.543 8.738 233 HG2 PRO 30 HG2 PRO 30 73.618 8.381 10.128 234 HG3 PRO 30 HG1 PRO 30 72.063 9.177 10.419 235 HD2 PRO 30 HD2 PRO 30 72.633 6.658 8.900 236 HD3 PRO 30 HD1 PRO 30 71.316 7.043 10.038 237 H GLY 31 HN GLY 31 71.199 10.306 5.355 238 HA2 GLY 31 HA2 GLY 31 72.337 10.353 3.313 239 HA3 GLY 31 HA1 GLY 31 73.327 9.000 3.858 240 H CYS 32 HN CYS 32 70.247 8.238 4.632 241 HA CYS 32 HA CYS 32 69.786 6.831 2.117 242 HB2 CYS 32 HB2 CYS 32 70.654 5.391 3.827 243 HB3 CYS 32 HB1 CYS 32 69.446 5.976 4.973 244 HG CYS 32 HG CYS 32 67.608 4.364 4.351 245 H GLU 33 HN GLU 33 67.934 7.538 1.271 246 HA GLU 33 HA GLU 33 65.768 8.232 3.105 247 HB2 GLU 33 HB2 GLU 33 66.973 10.319 2.325 248 HB3 GLU 33 HB1 GLU 33 66.439 9.920 0.699 249 HG2 GLU 33 HG2 GLU 33 64.112 10.011 1.443 250 HG3 GLU 33 HG1 GLU 33 64.662 10.433 3.053 251 H VAL 34 HN VAL 34 63.787 7.739 2.387 252 HA VAL 34 HA VAL 34 63.664 5.963 0.071 253 HB VAL 34 HB VAL 34 61.444 6.630 2.023 254 HG11 VAL 34 HG11 VAL 34 61.794 4.289 0.154 255 HG12 VAL 34 HG12 VAL 34 60.708 5.653 -0.098 256 HG13 VAL 34 HG13 VAL 34 60.437 4.547 1.251 257 HG21 VAL 34 HG21 VAL 34 63.346 4.291 2.122 258 HG22 VAL 34 HG22 VAL 34 62.017 4.619 3.244 259 HG23 VAL 34 HG23 VAL 34 63.403 5.714 3.151 260 H ALA 35 HN ALA 35 63.070 6.723 -1.811 261 HA ALA 35 HA ALA 35 61.940 9.408 -1.954 262 HB1 ALA 35 HB1 ALA 35 63.970 8.917 -3.249 263 HB2 ALA 35 HB2 ALA 35 62.620 9.413 -4.273 264 HB3 ALA 35 HB3 ALA 35 63.068 7.712 -4.170 265 H VAL 36 HN VAL 36 61.198 6.113 -3.013 266 HA VAL 36 HA VAL 36 58.447 6.976 -3.556 267 HB VAL 36 HB VAL 36 59.984 5.124 -5.420 268 HG11 VAL 36 HG11 VAL 36 57.633 4.561 -5.286 269 HG12 VAL 36 HG12 VAL 36 58.009 5.256 -6.862 270 HG13 VAL 36 HG13 VAL 36 57.188 6.230 -5.645 271 HG21 VAL 36 HG21 VAL 36 59.058 7.953 -5.949 272 HG22 VAL 36 HG22 VAL 36 59.818 6.879 -7.121 273 HG23 VAL 36 HG23 VAL 36 60.731 7.447 -5.717 274 H SER 37 HN SER 37 57.164 5.740 -2.350 275 HA SER 37 HA SER 37 58.065 3.024 -1.723 276 HB2 SER 37 HB2 SER 37 56.063 4.722 -0.214 277 HB3 SER 37 HB1 SER 37 56.723 3.157 0.271 278 HG SER 37 HG SER 37 57.727 5.605 0.681 279 H ASP 38 HN ASP 38 56.940 1.457 -2.714 280 HA ASP 38 HA ASP 38 54.160 2.040 -3.453 281 HB2 ASP 38 HB2 ASP 38 56.119 0.282 -4.924 282 HB3 ASP 38 HB1 ASP 38 54.430 0.193 -5.199 283 H ALA 39 HN ALA 39 53.227 1.280 -1.707 284 HA ALA 39 HA ALA 39 53.817 -1.097 -0.423 285 HB1 ALA 39 HB1 ALA 39 52.353 0.642 0.521 286 HB2 ALA 39 HB2 ALA 39 51.609 -0.954 0.588 287 HB3 ALA 39 HB3 ALA 39 51.101 0.204 -0.642 288 HA PRO 40 HA PRO 40 50.393 -3.183 -3.484 289 HB2 PRO 40 HB2 PRO 40 50.664 -2.197 -6.029 290 HB3 PRO 40 HB1 PRO 40 49.467 -1.574 -4.877 291 HG2 PRO 40 HG2 PRO 40 52.275 -0.617 -5.327 292 HG3 PRO 40 HG1 PRO 40 50.857 0.399 -5.508 293 HD2 PRO 40 HD2 PRO 40 52.037 0.543 -3.270 294 HD3 PRO 40 HD1 PRO 40 50.324 0.064 -3.138 295 H SER 41 HN SER 41 53.451 -1.900 -4.727 296 HA SER 41 HA SER 41 53.981 -4.275 -6.282 297 HB2 SER 41 HB2 SER 41 55.745 -1.872 -5.838 298 HB3 SER 41 HB1 SER 41 55.843 -3.043 -7.158 299 HG SER 41 HG SER 41 53.509 -2.273 -7.449 300 H GLY 42 HN GLY 42 54.713 -3.101 -3.113 301 HA2 GLY 42 HA2 GLY 42 55.993 -4.040 -1.440 302 HA3 GLY 42 HA1 GLY 42 56.422 -5.336 -2.543 303 H GLN 43 HN GLN 43 56.788 -2.013 -3.390 304 HA GLN 43 HA GLN 43 59.687 -2.412 -3.634 305 HB2 GLN 43 HB2 GLN 43 57.679 -0.990 -5.267 306 HB3 GLN 43 HB1 GLN 43 59.312 -0.421 -5.346 307 HG2 GLN 43 HG2 GLN 43 59.946 -2.761 -6.063 308 HG3 GLN 43 HG1 GLN 43 58.220 -3.126 -6.117 309 HE21 GLN 43 HE21 GLN 43 57.581 -0.366 -7.057 310 HE22 GLN 43 HE22 GLN 43 58.031 -0.348 -8.709 311 H LEU 44 HN LEU 44 60.953 -1.119 -2.624 312 HA LEU 44 HA LEU 44 60.007 1.537 -1.858 313 HB2 LEU 44 HB2 LEU 44 61.742 -0.369 -0.281 314 HB3 LEU 44 HB1 LEU 44 61.547 1.330 0.116 315 HG LEU 44 HG LEU 44 59.258 -0.629 0.025 316 HD11 LEU 44 HD11 LEU 44 59.419 -0.655 2.459 317 HD12 LEU 44 HD12 LEU 44 60.895 0.313 2.376 318 HD13 LEU 44 HD13 LEU 44 60.867 -1.325 1.708 319 HD21 LEU 44 HD21 LEU 44 58.704 1.735 -0.243 320 HD22 LEU 44 HD22 LEU 44 59.558 2.098 1.257 321 HD23 LEU 44 HD23 LEU 44 58.114 1.083 1.277 322 H ILE 45 HN ILE 45 61.047 2.903 -3.101 323 HA ILE 45 HA ILE 45 63.706 2.253 -4.120 324 HB ILE 45 HB ILE 45 61.869 4.619 -4.628 325 HG12 ILE 45 HG12 ILE 45 61.095 2.504 -5.632 326 HG13 ILE 45 HG11 ILE 45 61.537 3.684 -6.860 327 HG21 ILE 45 HG21 ILE 45 63.390 5.298 -6.418 328 HG22 ILE 45 HG22 ILE 45 64.521 4.034 -5.937 329 HG23 ILE 45 HG23 ILE 45 64.165 5.365 -4.835 330 HD11 ILE 45 HD11 ILE 45 63.667 2.492 -7.166 331 HD12 ILE 45 HD12 ILE 45 62.264 1.461 -7.461 332 HD13 ILE 45 HD13 ILE 45 63.161 1.315 -5.952 333 H VAL 46 HN VAL 46 65.372 2.795 -2.985 334 HA VAL 46 HA VAL 46 65.168 5.051 -1.119 335 HB VAL 46 HB VAL 46 66.803 2.508 -0.835 336 HG11 VAL 46 HG11 VAL 46 66.506 4.857 1.022 337 HG12 VAL 46 HG12 VAL 46 67.946 4.423 0.108 338 HG13 VAL 46 HG13 VAL 46 67.363 3.363 1.390 339 HG21 VAL 46 HG21 VAL 46 64.347 3.459 0.633 340 HG22 VAL 46 HG22 VAL 46 65.349 2.120 1.154 341 HG23 VAL 46 HG23 VAL 46 64.488 2.023 -0.385 342 H VAL 47 HN VAL 47 66.600 6.628 -1.457 343 HA VAL 47 HA VAL 47 68.719 6.096 -3.406 344 HB VAL 47 HB VAL 47 67.628 8.791 -2.511 345 HG11 VAL 47 HG11 VAL 47 68.860 9.677 -4.440 346 HG12 VAL 47 HG12 VAL 47 69.501 8.068 -4.772 347 HG13 VAL 47 HG13 VAL 47 69.937 8.903 -3.281 348 HG21 VAL 47 HG21 VAL 47 67.078 7.265 -5.059 349 HG22 VAL 47 HG22 VAL 47 66.543 8.907 -4.714 350 HG23 VAL 47 HG23 VAL 47 65.930 7.558 -3.753 351 H VAL 48 HN VAL 48 70.576 5.719 -2.535 352 HA VAL 48 HA VAL 48 71.139 6.808 0.119 353 HB VAL 48 HB VAL 48 72.464 4.486 -1.315 354 HG11 VAL 48 HG11 VAL 48 73.600 4.073 0.841 355 HG12 VAL 48 HG12 VAL 48 72.856 5.531 1.496 356 HG13 VAL 48 HG13 VAL 48 74.018 5.658 0.177 357 HG21 VAL 48 HG21 VAL 48 70.202 3.941 -0.577 358 HG22 VAL 48 HG22 VAL 48 70.582 4.528 1.042 359 HG23 VAL 48 HG23 VAL 48 71.397 3.096 0.409 360 H GLU 49 HN GLU 49 72.611 8.257 0.349 361 HA GLU 49 HA GLU 49 74.436 8.840 -1.863 362 HB2 GLU 49 HB2 GLU 49 74.267 11.228 -1.121 363 HB3 GLU 49 HB1 GLU 49 72.772 10.577 -1.778 364 HG2 GLU 49 HG2 GLU 49 71.965 10.220 0.546 365 HG3 GLU 49 HG1 GLU 49 73.451 10.987 1.114 366 H ALA 50 HN ALA 50 76.490 8.561 -1.301 367 HA ALA 50 HA ALA 50 77.379 9.392 1.308 368 HB1 ALA 50 HB1 ALA 50 76.728 7.067 1.730 369 HB2 ALA 50 HB2 ALA 50 78.479 7.249 1.815 370 HB3 ALA 50 HB3 ALA 50 77.736 6.533 0.386 371 H GLU 51 HN GLU 51 79.560 9.946 1.278 372 HA GLU 51 HA GLU 51 80.609 10.250 -1.376 373 HB2 GLU 51 HB2 GLU 51 80.745 12.077 0.272 374 HB3 GLU 51 HB1 GLU 51 81.776 11.074 1.277 375 HG2 GLU 51 HG2 GLU 51 83.442 11.011 -0.526 376 HG3 GLU 51 HG1 GLU 51 82.415 12.091 -1.468 377 H ASP 52 HN ASP 52 81.736 8.771 1.635 378 HA ASP 52 HA ASP 52 83.937 7.478 0.319 379 HB2 ASP 52 HB2 ASP 52 82.772 6.974 3.064 380 HB3 ASP 52 HB1 ASP 52 84.279 6.311 2.467 381 H SER 53 HN SER 53 84.152 5.307 -0.116 382 HA SER 53 HA SER 53 81.861 4.084 -1.161 383 HB2 SER 53 HB2 SER 53 84.173 3.839 -2.053 384 HB3 SER 53 HB1 SER 53 84.598 2.890 -0.635 385 HG SER 53 HG SER 53 83.404 1.278 -1.308 386 H GLU 54 HN GLU 54 83.739 3.556 1.812 387 HA GLU 54 HA GLU 54 82.217 1.261 2.557 388 HB2 GLU 54 HB2 GLU 54 83.298 1.397 4.736 389 HB3 GLU 54 HB1 GLU 54 84.456 1.497 3.424 390 HG2 GLU 54 HG2 GLU 54 84.620 3.913 3.754 391 HG3 GLU 54 HG1 GLU 54 83.452 3.799 5.078 392 H THR 55 HN THR 55 81.865 4.660 3.060 393 HA THR 55 HA THR 55 79.963 4.552 5.105 394 HB THR 55 HB THR 55 80.351 6.600 2.905 395 HG1 THR 55 HG1 THR 55 81.442 6.362 5.527 396 HG21 THR 55 HG21 THR 55 78.219 6.821 4.205 397 HG22 THR 55 HG22 THR 55 79.326 8.177 4.418 398 HG23 THR 55 HG23 THR 55 79.184 6.954 5.681 399 H LEU 56 HN LEU 56 79.810 4.309 1.593 400 HA LEU 56 HA LEU 56 76.998 4.260 1.333 401 HB2 LEU 56 HB2 LEU 56 78.611 4.568 -0.550 402 HB3 LEU 56 HB1 LEU 56 79.098 2.897 -0.377 403 HG LEU 56 HG LEU 56 76.702 2.276 -0.864 404 HD11 LEU 56 HD11 LEU 56 75.646 4.374 -0.423 405 HD12 LEU 56 HD12 LEU 56 75.372 3.909 -2.104 406 HD13 LEU 56 HD13 LEU 56 76.567 5.150 -1.710 407 HD21 LEU 56 HD21 LEU 56 78.466 1.992 -2.502 408 HD22 LEU 56 HD22 LEU 56 78.295 3.673 -3.008 409 HD23 LEU 56 HD23 LEU 56 76.980 2.525 -3.290 410 H ILE 57 HN ILE 57 79.481 1.735 1.580 411 HA ILE 57 HA ILE 57 77.896 -0.544 1.554 412 HB ILE 57 HB ILE 57 80.470 -0.130 3.102 413 HG12 ILE 57 HG12 ILE 57 80.769 0.334 0.719 414 HG13 ILE 57 HG11 ILE 57 81.593 -1.154 1.161 415 HG21 ILE 57 HG21 ILE 57 79.165 -2.714 2.262 416 HG22 ILE 57 HG22 ILE 57 79.317 -2.106 3.908 417 HG23 ILE 57 HG23 ILE 57 80.761 -2.568 3.001 418 HD11 ILE 57 HD11 ILE 57 78.951 -0.935 -0.274 419 HD12 ILE 57 HD12 ILE 57 79.756 -2.443 0.173 420 HD13 ILE 57 HD13 ILE 57 80.503 -1.361 -0.992 421 H GLN 58 HN GLN 58 78.989 1.272 4.425 422 HA GLN 58 HA GLN 58 77.744 -0.295 6.383 423 HB2 GLN 58 HB2 GLN 58 78.390 2.652 6.426 424 HB3 GLN 58 HB1 GLN 58 77.879 1.738 7.833 425 HG2 GLN 58 HG2 GLN 58 80.328 1.072 6.211 426 HG3 GLN 58 HG1 GLN 58 80.352 2.120 7.624 427 HE21 GLN 58 HE21 GLN 58 81.744 0.740 8.666 428 HE22 GLN 58 HE22 GLN 58 81.218 -0.749 9.371 429 H THR 59 HN THR 59 76.445 2.337 4.486 430 HA THR 59 HA THR 59 74.038 2.535 5.953 431 HB THR 59 HB THR 59 74.573 3.419 3.095 432 HG1 THR 59 HG1 THR 59 76.046 4.523 4.322 433 HG21 THR 59 HG21 THR 59 72.191 3.407 3.707 434 HG22 THR 59 HG22 THR 59 72.794 5.060 3.571 435 HG23 THR 59 HG23 THR 59 72.560 4.335 5.161 436 H ILE 60 HN ILE 60 74.915 0.919 2.899 437 HA ILE 60 HA ILE 60 72.390 -0.230 2.384 438 HB ILE 60 HB ILE 60 75.146 -1.232 1.565 439 HG12 ILE 60 HG12 ILE 60 73.146 0.469 0.046 440 HG13 ILE 60 HG11 ILE 60 74.601 1.072 0.815 441 HG21 ILE 60 HG21 ILE 60 73.986 -2.460 -0.229 442 HG22 ILE 60 HG22 ILE 60 72.430 -1.929 0.418 443 HG23 ILE 60 HG23 ILE 60 73.461 -3.005 1.366 444 HD11 ILE 60 HD11 ILE 60 75.959 -0.272 -0.712 445 HD12 ILE 60 HD12 ILE 60 74.884 0.821 -1.589 446 HD13 ILE 60 HD13 ILE 60 74.489 -0.892 -1.461 447 H GLU 61 HN GLU 61 75.180 -1.349 4.188 448 HA GLU 61 HA GLU 61 74.470 -3.911 4.938 449 HB2 GLU 61 HB2 GLU 61 76.633 -2.826 5.386 450 HB3 GLU 61 HB1 GLU 61 75.854 -1.749 6.530 451 HG2 GLU 61 HG2 GLU 61 77.062 -3.463 7.685 452 HG3 GLU 61 HG1 GLU 61 75.330 -3.663 7.954 453 H SER 62 HN SER 62 73.786 -0.855 6.618 454 HA SER 62 HA SER 62 72.269 -1.789 8.726 455 HB2 SER 62 HB2 SER 62 72.235 0.741 7.173 456 HB3 SER 62 HB1 SER 62 71.356 0.543 8.670 457 HG SER 62 HG SER 62 74.145 0.644 8.166 458 H VAL 63 HN VAL 63 71.289 -0.748 5.523 459 HA VAL 63 HA VAL 63 68.522 -0.958 5.739 460 HB VAL 63 HB VAL 63 70.504 -1.114 3.542 461 HG11 VAL 63 HG11 VAL 63 67.462 -1.141 3.168 462 HG12 VAL 63 HG12 VAL 63 68.561 -2.450 2.738 463 HG13 VAL 63 HG13 VAL 63 68.622 -0.925 1.857 464 HG21 VAL 63 HG21 VAL 63 69.519 1.081 2.893 465 HG22 VAL 63 HG22 VAL 63 70.234 1.037 4.503 466 HG23 VAL 63 HG23 VAL 63 68.485 0.977 4.322 467 H ARG 64 HN ARG 64 70.955 -3.330 4.700 468 HA ARG 64 HA ARG 64 69.070 -5.405 4.147 469 HB2 ARG 64 HB2 ARG 64 72.048 -5.573 4.571 470 HB3 ARG 64 HB1 ARG 64 71.042 -6.874 3.939 471 HG2 ARG 64 HG2 ARG 64 70.435 -5.423 2.057 472 HG3 ARG 64 HG1 ARG 64 71.572 -4.206 2.657 473 HD2 ARG 64 HD2 ARG 64 72.625 -5.499 0.920 474 HD3 ARG 64 HD1 ARG 64 73.381 -5.895 2.467 475 HE ARG 64 HE ARG 64 71.225 -7.632 1.800 476 HH11 ARG 64 HH11 ARG 64 74.701 -7.088 1.259 477 HH12 ARG 64 HH12 ARG 64 75.013 -8.692 0.831 478 HH21 ARG 64 HH21 ARG 64 71.693 -9.852 1.225 479 HH22 ARG 64 HH22 ARG 64 73.274 -10.307 0.798 480 H ASN 65 HN ASN 65 70.231 -4.186 6.988 481 HA ASN 65 HA ASN 65 70.032 -6.653 8.480 482 HB2 ASN 65 HB2 ASN 65 70.961 -3.905 9.111 483 HB3 ASN 65 HB1 ASN 65 70.282 -4.834 10.442 484 HD21 ASN 65 HD21 ASN 65 72.825 -4.732 8.031 485 HD22 ASN 65 HD22 ASN 65 73.880 -5.827 8.827 486 H VAL 66 HN VAL 66 67.852 -4.510 7.267 487 HA VAL 66 HA VAL 66 65.956 -4.801 9.465 488 HB VAL 66 HB VAL 66 65.507 -3.631 6.699 489 HG11 VAL 66 HG11 VAL 66 63.441 -2.724 7.689 490 HG12 VAL 66 HG12 VAL 66 63.869 -3.496 9.223 491 HG13 VAL 66 HG13 VAL 66 63.509 -4.495 7.826 492 HG21 VAL 66 HG21 VAL 66 66.028 -2.217 9.325 493 HG22 VAL 66 HG22 VAL 66 65.606 -1.433 7.804 494 HG23 VAL 66 HG23 VAL 66 67.136 -2.296 7.957 495 H GLU 67 HN GLU 67 64.773 -6.511 9.726 496 HA GLU 67 HA GLU 67 64.813 -8.400 7.663 497 HB2 GLU 67 HB2 GLU 67 63.653 -8.468 10.411 498 HB3 GLU 67 HB1 GLU 67 63.735 -9.812 9.273 499 HG2 GLU 67 HG2 GLU 67 66.138 -9.445 9.144 500 HG3 GLU 67 HG1 GLU 67 65.989 -8.300 10.478 501 H GLY 68 HN GLY 68 63.615 -8.253 6.201 502 HA2 GLY 68 HA2 GLY 68 60.977 -8.510 5.954 503 HA3 GLY 68 HA1 GLY 68 61.154 -6.775 6.232 504 H VAL 69 HN VAL 69 63.959 -7.330 4.927 505 HA VAL 69 HA VAL 69 63.078 -6.536 2.305 506 HB VAL 69 HB VAL 69 65.939 -7.036 3.255 507 HG11 VAL 69 HG11 VAL 69 65.811 -7.211 0.898 508 HG12 VAL 69 HG12 VAL 69 66.581 -5.682 1.333 509 HG13 VAL 69 HG13 VAL 69 64.902 -5.712 0.791 510 HG21 VAL 69 HG21 VAL 69 66.114 -4.611 3.462 511 HG22 VAL 69 HG22 VAL 69 64.861 -5.233 4.537 512 HG23 VAL 69 HG23 VAL 69 64.413 -4.441 3.026 513 H LEU 70 HN LEU 70 62.708 -7.863 0.700 514 HA LEU 70 HA LEU 70 63.215 -10.701 0.947 515 HB2 LEU 70 HB2 LEU 70 62.007 -9.055 -1.284 516 HB3 LEU 70 HB1 LEU 70 62.044 -10.803 -1.224 517 HG LEU 70 HG LEU 70 60.551 -9.064 0.741 518 HD11 LEU 70 HD11 LEU 70 59.616 -8.856 -1.497 519 HD12 LEU 70 HD12 LEU 70 58.539 -9.797 -0.462 520 HD13 LEU 70 HD13 LEU 70 59.558 -10.609 -1.652 521 HD21 LEU 70 HD21 LEU 70 60.500 -12.045 0.238 522 HD22 LEU 70 HD22 LEU 70 59.464 -11.169 1.363 523 HD23 LEU 70 HD23 LEU 70 61.198 -11.242 1.645 524 H ALA 71 HN ALA 71 63.952 -8.066 -1.271 525 HA ALA 71 HA ALA 71 66.602 -9.081 -1.774 526 HB1 ALA 71 HB1 ALA 71 64.556 -8.809 -3.980 527 HB2 ALA 71 HB2 ALA 71 65.317 -10.314 -3.460 528 HB3 ALA 71 HB3 ALA 71 66.277 -9.043 -4.225 529 H VAL 72 HN VAL 72 67.809 -7.341 -1.730 530 HA VAL 72 HA VAL 72 66.603 -4.870 -2.667 531 HB VAL 72 HB VAL 72 67.189 -4.514 -0.370 532 HG11 VAL 72 HG11 VAL 72 68.662 -6.319 0.052 533 HG12 VAL 72 HG12 VAL 72 69.463 -4.809 0.496 534 HG13 VAL 72 HG13 VAL 72 69.902 -5.630 -1.004 535 HG21 VAL 72 HG21 VAL 72 68.831 -2.704 -0.473 536 HG22 VAL 72 HG22 VAL 72 67.743 -2.652 -1.871 537 HG23 VAL 72 HG23 VAL 72 69.374 -3.288 -2.044 538 H SER 73 HN SER 73 67.061 -4.415 -4.559 539 HA SER 73 HA SER 73 69.451 -5.421 -5.827 540 HB2 SER 73 HB2 SER 73 67.088 -3.915 -6.919 541 HB3 SER 73 HB1 SER 73 68.320 -4.740 -7.885 542 HG SER 73 HG SER 73 66.128 -5.753 -7.176 543 H LEU 74 HN LEU 74 71.172 -4.204 -5.998 544 HA LEU 74 HA LEU 74 71.106 -1.403 -5.276 545 HB2 LEU 74 HB2 LEU 74 72.834 -3.191 -4.567 546 HB3 LEU 74 HB1 LEU 74 73.466 -3.028 -6.187 547 HG LEU 74 HG LEU 74 73.318 -0.733 -4.220 548 HD11 LEU 74 HD11 LEU 74 75.702 -1.103 -3.848 549 HD12 LEU 74 HD12 LEU 74 75.629 -2.555 -4.847 550 HD13 LEU 74 HD13 LEU 74 74.740 -2.489 -3.325 551 HD21 LEU 74 HD21 LEU 74 74.968 0.314 -5.675 552 HD22 LEU 74 HD22 LEU 74 73.505 -0.075 -6.583 553 HD23 LEU 74 HD23 LEU 74 74.941 -1.092 -6.739 554 H VAL 75 HN VAL 75 70.641 0.059 -6.671 555 HA VAL 75 HA VAL 75 71.237 -0.421 -9.468 556 HB VAL 75 HB VAL 75 69.270 1.459 -8.152 557 HG11 VAL 75 HG11 VAL 75 70.126 2.381 -10.254 558 HG12 VAL 75 HG12 VAL 75 68.438 1.885 -10.429 559 HG13 VAL 75 HG13 VAL 75 69.727 0.869 -11.080 560 HG21 VAL 75 HG21 VAL 75 68.811 -1.090 -9.697 561 HG22 VAL 75 HG22 VAL 75 67.544 0.022 -9.189 562 HG23 VAL 75 HG23 VAL 75 68.517 -0.815 -7.978 563 H TYR 76 HN TYR 76 73.328 0.154 -9.276 564 HA TYR 76 HA TYR 76 74.117 2.797 -8.353 565 HB2 TYR 76 HB2 TYR 76 75.498 0.676 -8.115 566 HB3 TYR 76 HB1 TYR 76 75.708 0.719 -9.848 567 HD1 TYR 76 HD2 TYR 76 77.099 2.604 -10.854 568 HD2 TYR 76 HD1 TYR 76 76.829 1.955 -6.670 569 HE1 TYR 76 HE2 TYR 76 79.114 3.978 -10.514 570 HE2 TYR 76 HE1 TYR 76 78.837 3.311 -6.315 571 HH TYR 76 HH TYR 76 80.728 4.108 -7.461 572 H HIS 77 HN HIS 77 73.301 1.147 -11.277 573 HA HIS 77 HA HIS 77 74.124 3.362 -12.978 574 HB2 HIS 77 HB2 HIS 77 72.648 0.805 -13.713 575 HB3 HIS 77 HB1 HIS 77 73.222 2.008 -14.851 576 HD1 HIS 77 HD1 HIS 77 74.105 -1.209 -13.886 577 HD2 HIS 77 HD2 HIS 77 76.245 2.325 -14.254 578 HE1 HIS 77 HE1 HIS 77 76.508 -1.874 -14.108 579 H GLN 78 HN GLN 78 72.812 5.066 -12.604 580 HA GLN 78 HA GLN 78 69.936 4.544 -12.737 581 HB2 GLN 78 HB2 GLN 78 70.549 5.007 -10.437 582 HB3 GLN 78 HB1 GLN 78 71.357 6.489 -10.914 583 HG2 GLN 78 HG2 GLN 78 69.179 6.910 -9.874 584 HG3 GLN 78 HG1 GLN 78 69.244 7.484 -11.539 585 HE21 GLN 78 HE21 GLN 78 67.022 7.452 -11.739 586 HE22 GLN 78 HE22 GLN 78 66.113 6.003 -11.878 587 H GLN 79 HN GLN 79 68.962 5.482 -14.279 588 HA GLN 79 HA GLN 79 68.230 6.848 -15.833 589 HB2 GLN 79 HB2 GLN 79 68.169 8.540 -14.070 590 HB3 GLN 79 HB1 GLN 79 69.823 8.998 -14.433 591 HG2 GLN 79 HG2 GLN 79 69.150 9.801 -16.615 592 HG3 GLN 79 HG1 GLN 79 67.503 9.244 -16.334 593 HE21 GLN 79 HE21 GLN 79 68.495 11.913 -16.870 594 HE22 GLN 79 HE22 GLN 79 67.984 12.882 -15.530 595 H GLU 80 HN GLU 80 69.064 5.851 -17.463 596 HA GLU 80 HA GLU 80 71.109 7.193 -18.974 597 HB2 GLU 80 HB2 GLU 80 72.526 5.139 -19.249 598 HB3 GLU 80 HB1 GLU 80 72.604 5.901 -17.673 599 HG2 GLU 80 HG2 GLU 80 71.166 4.208 -16.730 600 HG3 GLU 80 HG1 GLU 80 70.932 3.487 -18.322 601 H GLU 81 HN GLU 81 68.598 4.852 -18.692 602 HA GLU 81 HA GLU 81 68.811 3.578 -21.178 603 HB2 GLU 81 HB2 GLU 81 66.394 4.069 -19.439 604 HB3 GLU 81 HB1 GLU 81 66.434 2.977 -20.816 605 HG2 GLU 81 HG2 GLU 81 68.174 2.713 -18.372 606 HG3 GLU 81 HG1 GLU 81 66.678 1.821 -18.647 607 H GLN 82 HN GLN 82 67.245 6.527 -20.189 608 HA GLN 82 HA GLN 82 66.813 7.104 -23.017 609 HB2 GLN 82 HB2 GLN 82 65.047 7.997 -20.726 610 HB3 GLN 82 HB1 GLN 82 64.853 8.474 -22.403 611 HG2 GLN 82 HG2 GLN 82 64.531 6.035 -22.935 612 HG3 GLN 82 HG1 GLN 82 64.444 5.756 -21.201 613 HE21 GLN 82 HE21 GLN 82 62.443 5.357 -23.240 614 HE22 GLN 82 HE22 GLN 82 61.079 6.321 -22.789 615 H GLY 83 HN GLY 83 66.437 9.594 -23.137 616 HA2 GLY 83 HA2 GLY 83 68.237 10.996 -21.330 617 HA3 GLY 83 HA1 GLY 83 68.615 11.009 -23.057 618 H GLU 84 HN GLU 84 65.925 11.505 -20.838 619 HA GLU 84 HA GLU 84 64.192 12.934 -20.786 620 HB2 GLU 84 HB2 GLU 84 66.085 14.673 -22.426 621 HB3 GLU 84 HB1 GLU 84 64.533 15.233 -21.838 622 HG2 GLU 84 HG2 GLU 84 66.236 16.093 -20.421 623 HG3 GLU 84 HG1 GLU 84 65.315 14.893 -19.532 624 H GLU 85 HN GLU 85 63.403 14.744 -23.004 625 HA GLU 85 HA GLU 85 61.973 12.935 -24.629 626 HB2 GLU 85 HB2 GLU 85 62.557 15.885 -24.984 627 HB3 GLU 85 HB1 GLU 85 61.525 14.962 -26.058 628 HG2 GLU 85 HG2 GLU 85 60.208 16.261 -24.536 629 HG3 GLU 85 HG1 GLU 85 59.986 14.545 -24.213 630 H THR 86 HN THR 86 62.248 12.825 -27.021 631 HA THR 86 HA THR 86 64.970 13.203 -27.873 632 HB THR 86 HB THR 86 63.511 10.541 -28.053 633 HG1 THR 86 HG1 THR 86 64.959 11.703 -26.128 634 HG21 THR 86 HG21 THR 86 65.078 10.944 -29.910 635 HG22 THR 86 HG22 THR 86 65.702 9.695 -28.829 636 HG23 THR 86 HG23 THR 86 66.354 11.334 -28.759 637 HA PRO 87 HA PRO 87 62.255 14.760 -31.013 638 HB2 PRO 87 HB2 PRO 87 64.109 15.662 -32.751 639 HB3 PRO 87 HB1 PRO 87 63.740 16.461 -31.211 640 HG2 PRO 87 HG2 PRO 87 65.982 14.572 -31.834 641 HG3 PRO 87 HG1 PRO 87 66.050 16.132 -30.991 642 HD2 PRO 87 HD2 PRO 87 65.988 13.792 -29.661 643 HD3 PRO 87 HD1 PRO 87 65.191 15.247 -29.025 644 H ARG 88 HN ARG 88 62.047 14.584 -33.426 645 HA ARG 88 HA ARG 88 62.067 11.758 -34.006 646 HB2 ARG 88 HB2 ARG 88 60.828 14.060 -35.514 647 HB3 ARG 88 HB1 ARG 88 60.621 12.359 -35.929 648 HG2 ARG 88 HG2 ARG 88 59.593 11.942 -33.768 649 HG3 ARG 88 HG1 ARG 88 59.821 13.633 -33.329 650 HD2 ARG 88 HD2 ARG 88 58.324 14.287 -35.175 651 HD3 ARG 88 HD1 ARG 88 58.089 12.585 -35.578 652 HE ARG 88 HE ARG 88 57.496 12.783 -32.925 653 HH11 ARG 88 HH11 ARG 88 56.142 14.146 -35.888 654 HH12 ARG 88 HH12 ARG 88 54.619 14.466 -35.205 655 HH21 ARG 88 HH21 ARG 88 55.414 13.156 -32.012 656 HH22 ARG 88 HH22 ARG 88 54.177 13.863 -32.945 657 H SER 89 HN SER 89 64.409 13.857 -34.364 658 HA SER 89 HA SER 89 65.464 12.444 -36.660 659 HB2 SER 89 HB2 SER 89 64.571 14.705 -37.382 660 HB3 SER 89 HB1 SER 89 65.738 15.447 -36.286 661 HG SER 89 HG SER 89 66.608 15.406 -38.295 662 H HIS 90 HN HIS 90 67.324 11.568 -36.050 663 HA HIS 90 HA HIS 90 68.524 12.356 -33.541 664 HB2 HIS 90 HB2 HIS 90 70.002 10.375 -33.837 665 HB3 HIS 90 HB1 HIS 90 68.303 9.965 -33.926 666 HD1 HIS 90 HD1 HIS 90 71.445 9.860 -35.879 667 HD2 HIS 90 HD2 HIS 90 67.401 9.227 -36.510 668 HE1 HIS 90 HE1 HIS 90 71.250 8.728 -38.122 669 H HIS 91 HN HIS 91 69.081 12.741 -36.866 670 HA HIS 91 HA HIS 91 70.300 14.143 -38.042 671 HB2 HIS 91 HB2 HIS 91 71.117 15.262 -35.386 672 HB3 HIS 91 HB1 HIS 91 71.845 15.838 -36.877 673 HD1 HIS 91 HD1 HIS 91 70.594 17.660 -38.057 674 HD2 HIS 91 HD2 HIS 91 68.232 15.638 -35.302 675 HE1 HIS 91 HE1 HIS 91 68.400 18.913 -37.955 676 H HIS 92 HN HIS 92 71.652 13.317 -39.320 677 HA HIS 92 HA HIS 92 74.232 12.308 -38.367 678 HB2 HIS 92 HB2 HIS 92 73.072 12.481 -41.178 679 HB3 HIS 92 HB1 HIS 92 74.665 11.848 -40.809 680 HD1 HIS 92 HD1 HIS 92 71.495 10.661 -41.682 681 HD2 HIS 92 HD2 HIS 92 74.282 9.560 -38.804 682 HE1 HIS 92 HE1 HIS 92 70.973 8.264 -41.080 683 H HIS 93 HN HIS 93 72.652 14.953 -39.818 684 HA HIS 93 HA HIS 93 75.171 16.396 -40.175 685 HB2 HIS 93 HB2 HIS 93 72.480 16.839 -41.493 686 HB3 HIS 93 HB1 HIS 93 73.824 17.950 -41.649 687 HD1 HIS 93 HD1 HIS 93 75.498 17.436 -43.533 688 HD2 HIS 93 HD2 HIS 93 72.931 14.273 -42.696 689 HE1 HIS 93 HE1 HIS 93 75.867 15.747 -45.344 690 H HIS 94 HN HIS 94 75.555 17.450 -38.383 691 HA HIS 94 HA HIS 94 73.446 18.526 -36.731 692 HB2 HIS 94 HB2 HIS 94 76.464 18.720 -36.453 693 HB3 HIS 94 HB1 HIS 94 75.309 19.270 -35.247 694 HD1 HIS 94 HD1 HIS 94 77.392 16.406 -35.945 695 HD2 HIS 94 HD2 HIS 94 73.549 16.961 -34.426 696 HE1 HIS 94 HE1 HIS 94 76.773 14.270 -34.815 697 H HIS 95 HN HIS 95 75.351 19.564 -39.294 698 HA HIS 95 HA HIS 95 74.449 22.314 -38.870 699 HB2 HIS 95 HB2 HIS 95 76.865 21.400 -40.481 700 HB3 HIS 95 HB1 HIS 95 76.362 23.061 -40.212 701 HD1 HIS 95 HD1 HIS 95 78.599 20.521 -38.940 702 HD2 HIS 95 HD2 HIS 95 76.604 23.803 -37.351 703 HE1 HIS 95 HE1 HIS 95 79.757 21.053 -36.765 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 86.395 22.203 1.828 2 H2 MET 1 HT2 MET 1 85.745 21.896 0.274 3 H3 MET 1 HT3 MET 1 86.821 20.829 0.961 4 HA MET 1 HA MET 1 85.373 20.124 2.569 5 HB2 MET 1 HB2 MET 1 83.609 22.345 1.571 6 HB3 MET 1 HB1 MET 1 82.954 20.987 2.468 7 HG2 MET 1 HG2 MET 1 83.331 22.882 3.919 8 HG3 MET 1 HG1 MET 1 84.371 21.533 4.360 9 HE1 MET 1 HE1 MET 1 84.693 24.462 5.392 10 HE2 MET 1 HE2 MET 1 86.427 24.721 5.287 11 HE3 MET 1 HE3 MET 1 85.801 23.178 5.880 12 H HIS 2 HN HIS 2 84.620 18.235 2.007 13 HA HIS 2 HA HIS 2 84.248 17.685 -0.773 14 HB2 HIS 2 HB2 HIS 2 83.944 15.890 1.656 15 HB3 HIS 2 HB1 HIS 2 83.824 15.341 -0.009 16 HD1 HIS 2 HD1 HIS 2 85.967 14.307 -0.842 17 HD2 HIS 2 HD2 HIS 2 86.640 17.191 2.079 18 HE1 HIS 2 HE1 HIS 2 88.437 14.321 -0.416 19 H THR 3 HN THR 3 82.438 17.725 -1.824 20 HA THR 3 HA THR 3 79.962 17.011 -0.541 21 HB THR 3 HB THR 3 80.174 19.576 -2.198 22 HG1 THR 3 HG1 THR 3 80.809 19.079 0.338 23 HG21 THR 3 HG21 THR 3 77.976 18.522 -0.394 24 HG22 THR 3 HG22 THR 3 77.947 18.485 -2.160 25 HG23 THR 3 HG23 THR 3 77.933 20.029 -1.312 26 H ASN 4 HN ASN 4 81.279 15.389 -1.957 27 HA ASN 4 HA ASN 4 80.170 15.410 -4.669 28 HB2 ASN 4 HB2 ASN 4 83.073 14.798 -3.999 29 HB3 ASN 4 HB1 ASN 4 82.327 14.465 -5.552 30 HD21 ASN 4 HD21 ASN 4 81.751 16.231 -6.889 31 HD22 ASN 4 HD22 ASN 4 82.489 17.776 -6.675 32 H TRP 5 HN TRP 5 79.092 14.299 -2.705 33 HA TRP 5 HA TRP 5 79.835 11.681 -2.033 34 HB2 TRP 5 HB2 TRP 5 77.489 11.489 -1.218 35 HB3 TRP 5 HB1 TRP 5 78.417 12.816 -0.554 36 HD1 TRP 5 HD1 TRP 5 77.386 14.228 -3.722 37 HE1 TRP 5 HE1 TRP 5 75.240 15.594 -3.473 38 HE3 TRP 5 HE3 TRP 5 75.823 12.375 0.724 39 HZ2 TRP 5 HZ2 TRP 5 73.142 15.864 -1.579 40 HZ3 TRP 5 HZ3 TRP 5 73.821 13.188 1.722 41 HH2 TRP 5 HH2 TRP 5 72.438 14.934 0.592 42 H GLN 6 HN GLN 6 78.866 9.763 -2.453 43 HA GLN 6 HA GLN 6 78.193 9.488 -5.262 44 HB2 GLN 6 HB2 GLN 6 78.937 7.395 -3.208 45 HB3 GLN 6 HB1 GLN 6 78.528 7.049 -4.873 46 HG2 GLN 6 HG2 GLN 6 80.863 6.967 -4.861 47 HG3 GLN 6 HG1 GLN 6 80.478 8.587 -5.443 48 HE21 GLN 6 HE21 GLN 6 81.078 10.327 -4.289 49 HE22 GLN 6 HE22 GLN 6 82.036 10.229 -2.856 50 H VAL 7 HN VAL 7 76.303 8.583 -5.888 51 HA VAL 7 HA VAL 7 74.388 8.057 -3.762 52 HB VAL 7 HB VAL 7 72.586 9.063 -5.107 53 HG11 VAL 7 HG11 VAL 7 73.779 10.436 -3.484 54 HG12 VAL 7 HG12 VAL 7 73.171 11.404 -4.831 55 HG13 VAL 7 HG13 VAL 7 74.884 10.979 -4.746 56 HG21 VAL 7 HG21 VAL 7 73.081 10.401 -7.105 57 HG22 VAL 7 HG22 VAL 7 73.532 8.710 -7.348 58 HG23 VAL 7 HG23 VAL 7 74.770 9.917 -7.011 59 H CYS 8 HN CYS 8 73.036 6.355 -4.072 60 HA CYS 8 HA CYS 8 73.082 5.018 -6.635 61 HB2 CYS 8 HB2 CYS 8 73.520 2.813 -5.605 62 HB3 CYS 8 HB1 CYS 8 74.887 3.900 -5.424 63 HG CYS 8 HG CYS 8 75.048 3.782 -2.884 64 H SER 9 HN SER 9 71.323 3.540 -6.880 65 HA SER 9 HA SER 9 69.170 4.123 -5.017 66 HB2 SER 9 HB2 SER 9 68.720 4.893 -7.279 67 HB3 SER 9 HB1 SER 9 69.054 3.286 -7.943 68 HG SER 9 HG SER 9 66.876 3.498 -7.763 69 H LEU 10 HN LEU 10 67.950 2.456 -4.294 70 HA LEU 10 HA LEU 10 68.969 -0.277 -4.702 71 HB2 LEU 10 HB2 LEU 10 67.980 1.008 -2.183 72 HB3 LEU 10 HB1 LEU 10 68.389 -0.678 -2.328 73 HG LEU 10 HG LEU 10 70.310 1.623 -2.599 74 HD11 LEU 10 HD11 LEU 10 69.469 1.325 -0.304 75 HD12 LEU 10 HD12 LEU 10 71.156 0.820 -0.416 76 HD13 LEU 10 HD13 LEU 10 69.876 -0.390 -0.370 77 HD21 LEU 10 HD21 LEU 10 71.026 -0.273 -3.908 78 HD22 LEU 10 HD22 LEU 10 70.768 -1.358 -2.545 79 HD23 LEU 10 HD23 LEU 10 72.036 -0.132 -2.470 80 H VAL 11 HN VAL 11 67.399 -1.640 -5.283 81 HA VAL 11 HA VAL 11 64.632 -0.775 -4.958 82 HB VAL 11 HB VAL 11 65.725 -3.179 -6.487 83 HG11 VAL 11 HG11 VAL 11 63.437 -3.524 -5.667 84 HG12 VAL 11 HG12 VAL 11 63.465 -3.375 -7.423 85 HG13 VAL 11 HG13 VAL 11 62.931 -2.017 -6.433 86 HG21 VAL 11 HG21 VAL 11 66.358 -1.064 -7.548 87 HG22 VAL 11 HG22 VAL 11 64.671 -0.549 -7.522 88 HG23 VAL 11 HG23 VAL 11 65.157 -1.920 -8.521 89 H VAL 12 HN VAL 12 64.031 -1.184 -3.002 90 HA VAL 12 HA VAL 12 64.940 -3.580 -1.653 91 HB VAL 12 HB VAL 12 63.381 -1.198 -0.623 92 HG11 VAL 12 HG11 VAL 12 64.646 -3.473 0.900 93 HG12 VAL 12 HG12 VAL 12 62.915 -3.197 0.688 94 HG13 VAL 12 HG13 VAL 12 63.887 -2.053 1.615 95 HG21 VAL 12 HG21 VAL 12 65.637 -0.582 -1.259 96 HG22 VAL 12 HG22 VAL 12 66.291 -1.910 -0.301 97 HG23 VAL 12 HG23 VAL 12 65.473 -0.565 0.496 98 H GLN 13 HN GLN 13 63.792 -5.247 -2.229 99 HA GLN 13 HA GLN 13 60.917 -5.167 -2.639 100 HB2 GLN 13 HB2 GLN 13 62.550 -6.547 -4.017 101 HB3 GLN 13 HB1 GLN 13 62.876 -7.479 -2.566 102 HG2 GLN 13 HG2 GLN 13 61.369 -8.713 -3.947 103 HG3 GLN 13 HG1 GLN 13 60.494 -8.144 -2.533 104 HE21 GLN 13 HE21 GLN 13 60.991 -7.707 -5.924 105 HE22 GLN 13 HE22 GLN 13 59.575 -6.785 -6.250 106 H ALA 14 HN ALA 14 59.739 -5.168 -0.755 107 HA ALA 14 HA ALA 14 60.679 -6.878 1.420 108 HB1 ALA 14 HB1 ALA 14 60.200 -5.121 3.040 109 HB2 ALA 14 HB2 ALA 14 59.808 -4.006 1.731 110 HB3 ALA 14 HB3 ALA 14 61.452 -4.619 1.905 111 H LYS 15 HN LYS 15 58.936 -6.997 3.154 112 HA LYS 15 HA LYS 15 56.540 -8.041 2.150 113 HB2 LYS 15 HB2 LYS 15 57.402 -7.114 4.854 114 HB3 LYS 15 HB1 LYS 15 55.704 -7.432 4.592 115 HG2 LYS 15 HG2 LYS 15 56.727 -9.340 5.626 116 HG3 LYS 15 HG1 LYS 15 56.300 -9.753 3.973 117 HD2 LYS 15 HD2 LYS 15 58.536 -9.719 3.281 118 HD3 LYS 15 HD1 LYS 15 59.056 -8.858 4.734 119 HE2 LYS 15 HE2 LYS 15 59.688 -11.218 4.835 120 HE3 LYS 15 HE1 LYS 15 58.534 -10.797 6.091 121 HZ1 LYS 15 HZ1 LYS 15 56.775 -11.786 4.722 122 HZ2 LYS 15 HZ2 LYS 15 57.949 -12.898 5.110 123 HZ3 LYS 15 HZ3 LYS 15 57.898 -12.246 3.560 124 H SER 16 HN SER 16 54.970 -6.993 1.145 125 HA SER 16 HA SER 16 54.553 -4.260 0.988 126 HB2 SER 16 HB2 SER 16 53.607 -5.824 -0.621 127 HB3 SER 16 HB1 SER 16 52.554 -6.520 0.615 128 HG SER 16 HG SER 16 52.459 -3.948 -0.591 129 H GLU 17 HN GLU 17 53.308 -6.612 3.212 130 HA GLU 17 HA GLU 17 51.370 -5.066 4.547 131 HB2 GLU 17 HB2 GLU 17 51.566 -6.834 6.258 132 HB3 GLU 17 HB1 GLU 17 51.307 -7.447 4.628 133 HG2 GLU 17 HG2 GLU 17 53.679 -7.959 4.435 134 HG3 GLU 17 HG1 GLU 17 53.966 -7.325 6.054 135 H ARG 18 HN ARG 18 54.822 -4.930 4.718 136 HA ARG 18 HA ARG 18 54.648 -3.757 7.407 137 HB2 ARG 18 HB2 ARG 18 55.641 -6.091 7.166 138 HB3 ARG 18 HB1 ARG 18 56.955 -5.333 6.292 139 HG2 ARG 18 HG2 ARG 18 57.601 -4.099 8.210 140 HG3 ARG 18 HG1 ARG 18 56.184 -4.656 9.107 141 HD2 ARG 18 HD2 ARG 18 56.985 -6.988 8.806 142 HD3 ARG 18 HD1 ARG 18 58.474 -6.348 8.121 143 HE ARG 18 HE ARG 18 58.352 -5.079 10.456 144 HH11 ARG 18 HH11 ARG 18 57.932 -8.521 9.694 145 HH12 ARG 18 HH12 ARG 18 58.514 -9.074 11.187 146 HH21 ARG 18 HH21 ARG 18 59.179 -5.870 12.544 147 HH22 ARG 18 HH22 ARG 18 59.241 -7.556 12.816 148 H ILE 19 HN ILE 19 54.878 -2.913 4.391 149 HA ILE 19 HA ILE 19 57.300 -1.690 3.840 150 HB ILE 19 HB ILE 19 54.506 -1.082 2.889 151 HG12 ILE 19 HG12 ILE 19 55.566 -3.167 2.233 152 HG13 ILE 19 HG11 ILE 19 55.248 -2.150 0.827 153 HG21 ILE 19 HG21 ILE 19 55.645 1.038 2.718 154 HG22 ILE 19 HG22 ILE 19 55.489 0.333 1.101 155 HG23 ILE 19 HG23 ILE 19 57.022 0.232 1.977 156 HD11 ILE 19 HD11 ILE 19 57.395 -3.219 0.615 157 HD12 ILE 19 HD12 ILE 19 57.899 -2.654 2.200 158 HD13 ILE 19 HD13 ILE 19 57.654 -1.498 0.888 159 H SER 20 HN SER 20 54.515 -0.205 5.450 160 HA SER 20 HA SER 20 55.428 2.392 5.568 161 HB2 SER 20 HB2 SER 20 53.792 0.987 7.666 162 HB3 SER 20 HB1 SER 20 53.701 2.674 7.147 163 HG SER 20 HG SER 20 52.535 2.147 5.529 164 H ASP 21 HN ASP 21 55.939 -0.303 7.828 165 HA ASP 21 HA ASP 21 57.371 1.305 9.709 166 HB2 ASP 21 HB2 ASP 21 56.064 -0.629 10.443 167 HB3 ASP 21 HB1 ASP 21 57.109 -1.695 9.517 168 H ILE 22 HN ILE 22 58.246 -1.003 7.220 169 HA ILE 22 HA ILE 22 61.033 -1.034 7.733 170 HB ILE 22 HB ILE 22 59.494 -1.551 5.169 171 HG12 ILE 22 HG12 ILE 22 60.710 -3.461 7.167 172 HG13 ILE 22 HG11 ILE 22 59.005 -3.048 7.081 173 HG21 ILE 22 HG21 ILE 22 62.389 -2.183 5.774 174 HG22 ILE 22 HG22 ILE 22 61.814 -0.971 4.634 175 HG23 ILE 22 HG23 ILE 22 61.506 -2.680 4.328 176 HD11 ILE 22 HD11 ILE 22 60.625 -4.443 4.979 177 HD12 ILE 22 HD12 ILE 22 58.916 -4.006 4.829 178 HD13 ILE 22 HD13 ILE 22 59.426 -5.184 6.042 179 H SER 23 HN SER 23 59.030 1.095 5.748 180 HA SER 23 HA SER 23 61.157 2.509 4.589 181 HB2 SER 23 HB2 SER 23 58.797 2.561 3.774 182 HB3 SER 23 HB1 SER 23 58.359 3.514 5.192 183 HG SER 23 HG SER 23 58.731 4.949 3.579 184 H THR 24 HN THR 24 59.612 2.726 7.710 185 HA THR 24 HA THR 24 60.570 5.353 8.355 186 HB THR 24 HB THR 24 59.523 3.140 10.165 187 HG1 THR 24 HG1 THR 24 57.873 3.717 8.714 188 HG21 THR 24 HG21 THR 24 60.753 4.912 11.377 189 HG22 THR 24 HG22 THR 24 59.030 4.962 11.752 190 HG23 THR 24 HG23 THR 24 59.722 6.133 10.632 191 H GLN 25 HN GLN 25 61.527 2.076 8.703 192 HA GLN 25 HA GLN 25 63.716 2.414 10.413 193 HB2 GLN 25 HB2 GLN 25 62.469 0.379 8.765 194 HB3 GLN 25 HB1 GLN 25 64.110 0.037 9.176 195 HG2 GLN 25 HG2 GLN 25 63.445 0.333 11.589 196 HG3 GLN 25 HG1 GLN 25 61.785 0.550 11.036 197 HE21 GLN 25 HE21 GLN 25 60.681 -1.182 10.243 198 HE22 GLN 25 HE22 GLN 25 61.223 -2.794 10.448 199 H LEU 26 HN LEU 26 63.422 2.061 6.821 200 HA LEU 26 HA LEU 26 66.149 2.129 6.345 201 HB2 LEU 26 HB2 LEU 26 63.933 2.964 4.414 202 HB3 LEU 26 HB1 LEU 26 65.570 2.570 4.115 203 HG LEU 26 HG LEU 26 63.631 0.579 5.246 204 HD11 LEU 26 HD11 LEU 26 63.558 -0.406 3.036 205 HD12 LEU 26 HD12 LEU 26 64.591 0.867 2.412 206 HD13 LEU 26 HD13 LEU 26 62.968 1.254 2.992 207 HD21 LEU 26 HD21 LEU 26 65.932 0.072 5.792 208 HD22 LEU 26 HD22 LEU 26 66.404 0.290 4.110 209 HD23 LEU 26 HD23 LEU 26 65.353 -1.054 4.562 210 H ASN 27 HN ASN 27 63.725 4.636 6.553 211 HA ASN 27 HA ASN 27 65.435 6.765 5.730 212 HB2 ASN 27 HB2 ASN 27 62.775 6.617 7.049 213 HB3 ASN 27 HB1 ASN 27 63.591 8.178 6.894 214 HD21 ASN 27 HD21 ASN 27 61.090 7.319 5.765 215 HD22 ASN 27 HD22 ASN 27 61.241 7.403 4.055 216 H ALA 28 HN ALA 28 65.571 4.985 8.486 217 HA ALA 28 HA ALA 28 66.180 7.201 10.247 218 HB1 ALA 28 HB1 ALA 28 64.922 5.278 11.122 219 HB2 ALA 28 HB2 ALA 28 66.434 5.533 11.991 220 HB3 ALA 28 HB3 ALA 28 66.309 4.239 10.797 221 H PHE 29 HN PHE 29 67.928 5.010 8.127 222 HA PHE 29 HA PHE 29 70.320 5.189 9.558 223 HB2 PHE 29 HB2 PHE 29 69.769 4.333 6.716 224 HB3 PHE 29 HB1 PHE 29 71.241 4.107 7.618 225 HD1 PHE 29 HD2 PHE 29 70.888 2.801 9.942 226 HD2 PHE 29 HD1 PHE 29 68.334 2.555 6.546 227 HE1 PHE 29 HE2 PHE 29 70.058 0.621 10.723 228 HE2 PHE 29 HE1 PHE 29 67.506 0.375 7.319 229 HZ PHE 29 HZ PHE 29 68.354 -0.597 9.397 230 HA PRO 30 HA PRO 30 71.485 9.168 7.922 231 HB2 PRO 30 HB2 PRO 30 74.300 8.498 8.151 232 HB3 PRO 30 HB1 PRO 30 73.345 9.586 9.153 233 HG2 PRO 30 HG2 PRO 30 74.333 7.191 10.036 234 HG3 PRO 30 HG1 PRO 30 72.891 7.966 10.703 235 HD2 PRO 30 HD2 PRO 30 73.101 5.686 8.790 236 HD3 PRO 30 HD1 PRO 30 71.954 5.986 10.104 237 H GLY 31 HN GLY 31 71.205 9.437 5.790 238 HA2 GLY 31 HA2 GLY 31 72.330 9.787 3.698 239 HA3 GLY 31 HA1 GLY 31 73.284 8.351 4.023 240 H CYS 32 HN CYS 32 70.398 7.449 5.008 241 HA CYS 32 HA CYS 32 69.782 6.246 2.407 242 HB2 CYS 32 HB2 CYS 32 70.486 4.691 4.116 243 HB3 CYS 32 HB1 CYS 32 69.268 5.355 5.210 244 HG CYS 32 HG CYS 32 67.383 3.931 4.548 245 H GLU 33 HN GLU 33 67.972 6.954 1.488 246 HA GLU 33 HA GLU 33 65.724 7.564 3.209 247 HB2 GLU 33 HB2 GLU 33 66.946 9.687 2.760 248 HB3 GLU 33 HB1 GLU 33 66.602 9.480 1.052 249 HG2 GLU 33 HG2 GLU 33 64.202 9.482 1.559 250 HG3 GLU 33 HG1 GLU 33 64.573 9.739 3.246 251 H VAL 34 HN VAL 34 63.898 6.950 2.425 252 HA VAL 34 HA VAL 34 63.750 5.456 -0.044 253 HB VAL 34 HB VAL 34 61.481 6.221 1.803 254 HG11 VAL 34 HG11 VAL 34 61.765 3.910 -0.110 255 HG12 VAL 34 HG12 VAL 34 60.770 5.346 -0.340 256 HG13 VAL 34 HG13 VAL 34 60.394 4.215 0.957 257 HG21 VAL 34 HG21 VAL 34 63.261 5.175 3.075 258 HG22 VAL 34 HG22 VAL 34 63.224 3.765 2.005 259 HG23 VAL 34 HG23 VAL 34 61.828 4.149 3.010 260 H ALA 35 HN ALA 35 63.451 6.482 -1.880 261 HA ALA 35 HA ALA 35 62.382 9.191 -1.929 262 HB1 ALA 35 HB1 ALA 35 63.077 9.210 -4.274 263 HB2 ALA 35 HB2 ALA 35 63.487 7.497 -4.171 264 HB3 ALA 35 HB3 ALA 35 64.395 8.679 -3.228 265 H VAL 36 HN VAL 36 61.721 6.100 -3.531 266 HA VAL 36 HA VAL 36 58.963 7.016 -3.968 267 HB VAL 36 HB VAL 36 60.492 5.045 -5.709 268 HG11 VAL 36 HG11 VAL 36 58.107 4.621 -5.693 269 HG12 VAL 36 HG12 VAL 36 58.621 5.243 -7.259 270 HG13 VAL 36 HG13 VAL 36 57.787 6.303 -6.122 271 HG21 VAL 36 HG21 VAL 36 61.428 7.266 -6.009 272 HG22 VAL 36 HG22 VAL 36 59.821 7.936 -6.258 273 HG23 VAL 36 HG23 VAL 36 60.495 6.808 -7.437 274 H SER 37 HN SER 37 57.444 5.748 -3.110 275 HA SER 37 HA SER 37 58.239 3.108 -2.177 276 HB2 SER 37 HB2 SER 37 56.607 3.513 -0.304 277 HB3 SER 37 HB1 SER 37 58.058 4.512 -0.253 278 HG SER 37 HG SER 37 55.419 5.200 -0.638 279 H ASP 38 HN ASP 38 57.251 1.656 -3.481 280 HA ASP 38 HA ASP 38 54.497 2.273 -4.254 281 HB2 ASP 38 HB2 ASP 38 56.104 1.964 -6.154 282 HB3 ASP 38 HB1 ASP 38 56.403 0.309 -5.599 283 H ALA 39 HN ALA 39 53.605 1.616 -2.422 284 HA ALA 39 HA ALA 39 54.132 -0.636 -0.911 285 HB1 ALA 39 HB1 ALA 39 52.813 1.283 -0.135 286 HB2 ALA 39 HB2 ALA 39 52.015 -0.252 0.189 287 HB3 ALA 39 HB3 ALA 39 51.473 0.756 -1.152 288 HA PRO 40 HA PRO 40 50.371 -2.841 -3.531 289 HB2 PRO 40 HB2 PRO 40 51.061 -2.442 -6.211 290 HB3 PRO 40 HB1 PRO 40 49.725 -1.639 -5.370 291 HG2 PRO 40 HG2 PRO 40 52.557 -0.747 -5.700 292 HG3 PRO 40 HG1 PRO 40 51.154 0.237 -6.058 293 HD2 PRO 40 HD2 PRO 40 52.286 0.671 -3.833 294 HD3 PRO 40 HD1 PRO 40 50.561 0.244 -3.698 295 H SER 41 HN SER 41 53.640 -2.366 -4.939 296 HA SER 41 HA SER 41 53.819 -5.196 -5.479 297 HB2 SER 41 HB2 SER 41 56.048 -4.535 -6.443 298 HB3 SER 41 HB1 SER 41 54.671 -3.704 -7.171 299 HG SER 41 HG SER 41 55.286 -1.847 -6.275 300 H GLY 42 HN GLY 42 54.996 -2.825 -3.226 301 HA2 GLY 42 HA2 GLY 42 55.801 -3.316 -1.075 302 HA3 GLY 42 HA1 GLY 42 56.170 -4.953 -1.609 303 H GLN 43 HN GLN 43 57.032 -2.314 -3.652 304 HA GLN 43 HA GLN 43 59.827 -2.813 -3.012 305 HB2 GLN 43 HB2 GLN 43 58.474 -1.852 -5.510 306 HB3 GLN 43 HB1 GLN 43 60.214 -1.806 -5.278 307 HG2 GLN 43 HG2 GLN 43 60.335 -4.171 -5.087 308 HG3 GLN 43 HG1 GLN 43 58.579 -4.309 -5.050 309 HE21 GLN 43 HE21 GLN 43 60.123 -2.086 -7.219 310 HE22 GLN 43 HE22 GLN 43 59.803 -2.974 -8.644 311 H LEU 44 HN LEU 44 61.013 -1.351 -2.236 312 HA LEU 44 HA LEU 44 60.089 1.437 -2.179 313 HB2 LEU 44 HB2 LEU 44 61.859 -0.060 -0.238 314 HB3 LEU 44 HB1 LEU 44 61.519 1.654 -0.160 315 HG LEU 44 HG LEU 44 59.449 -0.515 0.119 316 HD11 LEU 44 HD11 LEU 44 61.029 -0.521 1.986 317 HD12 LEU 44 HD12 LEU 44 59.444 0.067 2.481 318 HD13 LEU 44 HD13 LEU 44 60.759 1.211 2.219 319 HD21 LEU 44 HD21 LEU 44 59.363 2.470 0.459 320 HD22 LEU 44 HD22 LEU 44 58.091 1.389 0.976 321 HD23 LEU 44 HD23 LEU 44 58.494 1.508 -0.736 322 H ILE 45 HN ILE 45 61.313 2.822 -3.242 323 HA ILE 45 HA ILE 45 63.937 1.959 -4.186 324 HB ILE 45 HB ILE 45 62.185 4.325 -4.911 325 HG12 ILE 45 HG12 ILE 45 61.502 2.149 -5.890 326 HG13 ILE 45 HG11 ILE 45 62.021 3.292 -7.131 327 HG21 ILE 45 HG21 ILE 45 63.843 4.942 -6.621 328 HG22 ILE 45 HG22 ILE 45 64.929 3.705 -5.992 329 HG23 ILE 45 HG23 ILE 45 64.481 5.082 -4.982 330 HD11 ILE 45 HD11 ILE 45 63.603 0.985 -6.010 331 HD12 ILE 45 HD12 ILE 45 64.186 2.131 -7.214 332 HD13 ILE 45 HD13 ILE 45 62.830 1.063 -7.593 333 H VAL 46 HN VAL 46 65.608 2.510 -3.071 334 HA VAL 46 HA VAL 46 65.391 4.784 -1.241 335 HB VAL 46 HB VAL 46 66.927 2.174 -0.909 336 HG11 VAL 46 HG11 VAL 46 68.377 4.031 -0.236 337 HG12 VAL 46 HG12 VAL 46 67.846 3.101 1.164 338 HG13 VAL 46 HG13 VAL 46 67.099 4.657 0.801 339 HG21 VAL 46 HG21 VAL 46 65.664 2.022 1.194 340 HG22 VAL 46 HG22 VAL 46 64.569 2.122 -0.187 341 HG23 VAL 46 HG23 VAL 46 64.855 3.532 0.833 342 H VAL 47 HN VAL 47 66.795 6.360 -1.470 343 HA VAL 47 HA VAL 47 68.972 5.964 -3.385 344 HB VAL 47 HB VAL 47 67.697 8.563 -2.445 345 HG11 VAL 47 HG11 VAL 47 70.063 8.832 -3.009 346 HG12 VAL 47 HG12 VAL 47 69.046 9.627 -4.212 347 HG13 VAL 47 HG13 VAL 47 69.786 8.066 -4.575 348 HG21 VAL 47 HG21 VAL 47 66.192 7.296 -3.894 349 HG22 VAL 47 HG22 VAL 47 67.461 7.156 -5.109 350 HG23 VAL 47 HG23 VAL 47 66.790 8.736 -4.715 351 H VAL 48 HN VAL 48 70.820 5.705 -2.490 352 HA VAL 48 HA VAL 48 71.187 6.602 0.261 353 HB VAL 48 HB VAL 48 72.873 4.666 -1.358 354 HG11 VAL 48 HG11 VAL 48 72.955 5.304 1.595 355 HG12 VAL 48 HG12 VAL 48 74.105 5.894 0.412 356 HG13 VAL 48 HG13 VAL 48 73.993 4.157 0.745 357 HG21 VAL 48 HG21 VAL 48 70.866 4.146 0.833 358 HG22 VAL 48 HG22 VAL 48 71.921 2.937 0.102 359 HG23 VAL 48 HG23 VAL 48 70.685 3.741 -0.874 360 H GLU 49 HN GLU 49 72.353 8.235 0.650 361 HA GLU 49 HA GLU 49 74.183 9.320 -1.377 362 HB2 GLU 49 HB2 GLU 49 72.399 10.652 0.652 363 HB3 GLU 49 HB1 GLU 49 73.702 11.490 -0.179 364 HG2 GLU 49 HG2 GLU 49 72.750 11.332 -2.152 365 HG3 GLU 49 HG1 GLU 49 71.518 10.112 -1.709 366 H ALA 50 HN ALA 50 76.240 9.161 -0.691 367 HA ALA 50 HA ALA 50 76.776 9.800 2.048 368 HB1 ALA 50 HB1 ALA 50 77.638 7.128 0.927 369 HB2 ALA 50 HB2 ALA 50 76.422 7.389 2.183 370 HB3 ALA 50 HB3 ALA 50 78.108 7.775 2.499 371 H GLU 51 HN GLU 51 78.794 10.620 2.338 372 HA GLU 51 HA GLU 51 80.085 11.797 0.136 373 HB2 GLU 51 HB2 GLU 51 80.026 12.430 2.661 374 HB3 GLU 51 HB1 GLU 51 81.439 11.401 2.772 375 HG2 GLU 51 HG2 GLU 51 82.174 13.663 2.509 376 HG3 GLU 51 HG1 GLU 51 82.519 12.795 1.010 377 H ASP 52 HN ASP 52 81.016 9.093 2.207 378 HA ASP 52 HA ASP 52 83.306 8.508 0.496 379 HB2 ASP 52 HB2 ASP 52 82.454 7.290 3.134 380 HB3 ASP 52 HB1 ASP 52 83.864 6.807 2.207 381 H SER 53 HN SER 53 83.527 6.588 -0.579 382 HA SER 53 HA SER 53 81.142 5.390 -1.508 383 HB2 SER 53 HB2 SER 53 83.215 5.696 -2.882 384 HB3 SER 53 HB1 SER 53 84.020 4.482 -1.896 385 HG SER 53 HG SER 53 82.401 3.000 -2.588 386 H GLU 54 HN GLU 54 83.442 4.654 0.948 387 HA GLU 54 HA GLU 54 82.607 1.959 1.345 388 HB2 GLU 54 HB2 GLU 54 83.912 2.146 3.469 389 HB3 GLU 54 HB1 GLU 54 84.829 2.631 2.048 390 HG2 GLU 54 HG2 GLU 54 84.390 4.968 2.577 391 HG3 GLU 54 HG1 GLU 54 83.496 4.483 4.016 392 H THR 55 HN THR 55 81.814 5.094 2.858 393 HA THR 55 HA THR 55 80.028 4.185 4.775 394 HB THR 55 HB THR 55 80.015 6.780 3.207 395 HG1 THR 55 HG1 THR 55 81.132 7.081 5.566 396 HG21 THR 55 HG21 THR 55 78.981 6.155 5.990 397 HG22 THR 55 HG22 THR 55 77.982 6.446 4.570 398 HG23 THR 55 HG23 THR 55 78.990 7.742 5.220 399 H LEU 56 HN LEU 56 79.713 4.896 1.360 400 HA LEU 56 HA LEU 56 76.959 4.757 1.015 401 HB2 LEU 56 HB2 LEU 56 78.754 5.396 -0.664 402 HB3 LEU 56 HB1 LEU 56 79.084 3.693 -0.849 403 HG LEU 56 HG LEU 56 76.719 3.409 -1.652 404 HD11 LEU 56 HD11 LEU 56 76.817 6.418 -1.669 405 HD12 LEU 56 HD12 LEU 56 75.759 5.408 -0.685 406 HD13 LEU 56 HD13 LEU 56 75.576 5.434 -2.439 407 HD21 LEU 56 HD21 LEU 56 78.535 5.252 -3.206 408 HD22 LEU 56 HD22 LEU 56 77.201 4.320 -3.881 409 HD23 LEU 56 HD23 LEU 56 78.597 3.490 -3.193 410 H ILE 57 HN ILE 57 79.447 2.211 0.853 411 HA ILE 57 HA ILE 57 77.746 0.021 0.426 412 HB ILE 57 HB ILE 57 80.386 -0.046 1.915 413 HG12 ILE 57 HG12 ILE 57 80.776 1.074 -0.203 414 HG13 ILE 57 HG11 ILE 57 81.436 -0.548 -0.272 415 HG21 ILE 57 HG21 ILE 57 78.946 -2.195 0.367 416 HG22 ILE 57 HG22 ILE 57 79.169 -2.122 2.116 417 HG23 ILE 57 HG23 ILE 57 80.561 -2.348 1.059 418 HD11 ILE 57 HD11 ILE 57 78.846 0.353 -1.480 419 HD12 ILE 57 HD12 ILE 57 79.516 -1.280 -1.577 420 HD13 ILE 57 HD13 ILE 57 80.364 0.076 -2.334 421 H GLN 58 HN GLN 58 79.102 1.337 3.432 422 HA GLN 58 HA GLN 58 78.111 -0.496 5.274 423 HB2 GLN 58 HB2 GLN 58 78.508 2.475 5.654 424 HB3 GLN 58 HB1 GLN 58 78.251 1.329 6.953 425 HG2 GLN 58 HG2 GLN 58 80.336 0.222 6.433 426 HG3 GLN 58 HG1 GLN 58 80.587 1.285 5.048 427 HE21 GLN 58 HE21 GLN 58 80.656 1.019 8.508 428 HE22 GLN 58 HE22 GLN 58 81.406 2.530 8.814 429 H THR 59 HN THR 59 76.552 2.366 3.971 430 HA THR 59 HA THR 59 74.262 2.247 5.615 431 HB THR 59 HB THR 59 74.458 3.498 2.861 432 HG1 THR 59 HG1 THR 59 76.107 4.419 3.962 433 HG21 THR 59 HG21 THR 59 72.810 4.186 5.302 434 HG22 THR 59 HG22 THR 59 72.200 3.412 3.842 435 HG23 THR 59 HG23 THR 59 72.805 5.068 3.772 436 H ILE 60 HN ILE 60 75.054 0.803 2.497 437 HA ILE 60 HA ILE 60 72.430 -0.145 1.949 438 HB ILE 60 HB ILE 60 75.090 -1.188 0.888 439 HG12 ILE 60 HG12 ILE 60 73.204 0.854 -0.323 440 HG13 ILE 60 HG11 ILE 60 74.735 1.220 0.453 441 HG21 ILE 60 HG21 ILE 60 73.248 -2.776 0.544 442 HG22 ILE 60 HG22 ILE 60 73.779 -2.078 -0.986 443 HG23 ILE 60 HG23 ILE 60 72.293 -1.508 -0.227 444 HD11 ILE 60 HD11 ILE 60 74.371 -0.406 -2.058 445 HD12 ILE 60 HD12 ILE 60 75.908 -0.049 -1.274 446 HD13 ILE 60 HD13 ILE 60 74.947 1.259 -1.964 447 H GLU 61 HN GLU 61 75.203 -1.374 3.712 448 HA GLU 61 HA GLU 61 74.362 -4.036 4.133 449 HB2 GLU 61 HB2 GLU 61 75.978 -2.292 6.017 450 HB3 GLU 61 HB1 GLU 61 75.850 -4.040 6.098 451 HG2 GLU 61 HG2 GLU 61 76.947 -4.176 3.889 452 HG3 GLU 61 HG1 GLU 61 77.143 -2.424 3.914 453 H SER 62 HN SER 62 73.798 -1.066 5.933 454 HA SER 62 HA SER 62 72.346 -1.973 8.093 455 HB2 SER 62 HB2 SER 62 72.118 0.451 6.414 456 HB3 SER 62 HB1 SER 62 71.390 0.318 7.999 457 HG SER 62 HG SER 62 73.931 -0.393 8.257 458 H VAL 63 HN VAL 63 71.255 -0.911 4.925 459 HA VAL 63 HA VAL 63 68.507 -1.182 5.224 460 HB VAL 63 HB VAL 63 70.352 -1.322 2.906 461 HG11 VAL 63 HG11 VAL 63 68.253 -2.463 2.213 462 HG12 VAL 63 HG12 VAL 63 68.332 -0.889 1.421 463 HG13 VAL 63 HG13 VAL 63 67.297 -1.117 2.825 464 HG21 VAL 63 HG21 VAL 63 70.312 0.787 4.013 465 HG22 VAL 63 HG22 VAL 63 68.556 0.862 3.920 466 HG23 VAL 63 HG23 VAL 63 69.522 0.966 2.448 467 H ARG 64 HN ARG 64 70.918 -3.519 4.188 468 HA ARG 64 HA ARG 64 69.017 -5.563 3.537 469 HB2 ARG 64 HB2 ARG 64 71.998 -5.720 3.969 470 HB3 ARG 64 HB1 ARG 64 71.009 -7.048 3.383 471 HG2 ARG 64 HG2 ARG 64 70.380 -5.718 1.430 472 HG3 ARG 64 HG1 ARG 64 71.392 -4.398 2.011 473 HD2 ARG 64 HD2 ARG 64 72.380 -7.172 1.346 474 HD3 ARG 64 HD1 ARG 64 72.452 -5.786 0.265 475 HE ARG 64 HE ARG 64 74.043 -4.766 1.691 476 HH11 ARG 64 HH11 ARG 64 73.286 -8.064 2.806 477 HH12 ARG 64 HH12 ARG 64 74.816 -8.324 3.469 478 HH21 ARG 64 HH21 ARG 64 76.136 -5.162 2.592 479 HH22 ARG 64 HH22 ARG 64 76.494 -6.629 3.369 480 H ASN 65 HN ASN 65 70.110 -4.397 6.445 481 HA ASN 65 HA ASN 65 69.998 -6.908 7.889 482 HB2 ASN 65 HB2 ASN 65 70.870 -4.158 8.518 483 HB3 ASN 65 HB1 ASN 65 70.168 -5.068 9.852 484 HD21 ASN 65 HD21 ASN 65 72.789 -4.888 7.575 485 HD22 ASN 65 HD22 ASN 65 73.823 -5.974 8.416 486 H VAL 66 HN VAL 66 67.774 -4.737 6.774 487 HA VAL 66 HA VAL 66 66.066 -4.765 9.093 488 HB VAL 66 HB VAL 66 65.405 -3.847 6.284 489 HG11 VAL 66 HG11 VAL 66 64.034 -3.381 8.925 490 HG12 VAL 66 HG12 VAL 66 63.447 -4.415 7.635 491 HG13 VAL 66 HG13 VAL 66 63.545 -2.654 7.391 492 HG21 VAL 66 HG21 VAL 66 66.274 -2.243 8.693 493 HG22 VAL 66 HG22 VAL 66 65.763 -1.580 7.144 494 HG23 VAL 66 HG23 VAL 66 67.238 -2.542 7.248 495 H GLU 67 HN GLU 67 64.902 -6.299 9.716 496 HA GLU 67 HA GLU 67 64.477 -8.496 8.009 497 HB2 GLU 67 HB2 GLU 67 63.858 -7.989 10.890 498 HB3 GLU 67 HB1 GLU 67 63.655 -9.526 10.040 499 HG2 GLU 67 HG2 GLU 67 66.022 -9.401 9.390 500 HG3 GLU 67 HG1 GLU 67 66.174 -7.991 10.426 501 H GLY 68 HN GLY 68 63.041 -8.412 6.732 502 HA2 GLY 68 HA2 GLY 68 60.450 -8.530 6.713 503 HA3 GLY 68 HA1 GLY 68 60.614 -6.798 7.036 504 H VAL 69 HN VAL 69 63.317 -7.219 5.562 505 HA VAL 69 HA VAL 69 62.280 -6.634 2.923 506 HB VAL 69 HB VAL 69 65.148 -6.631 3.944 507 HG11 VAL 69 HG11 VAL 69 63.992 -5.583 1.374 508 HG12 VAL 69 HG12 VAL 69 65.061 -6.976 1.548 509 HG13 VAL 69 HG13 VAL 69 65.649 -5.352 1.924 510 HG21 VAL 69 HG21 VAL 69 63.803 -4.922 5.047 511 HG22 VAL 69 HG22 VAL 69 63.248 -4.335 3.480 512 HG23 VAL 69 HG23 VAL 69 64.949 -4.188 3.923 513 H LEU 70 HN LEU 70 62.647 -7.907 1.151 514 HA LEU 70 HA LEU 70 63.331 -10.684 1.773 515 HB2 LEU 70 HB2 LEU 70 61.772 -9.508 -0.528 516 HB3 LEU 70 HB1 LEU 70 62.086 -11.211 -0.290 517 HG LEU 70 HG LEU 70 60.440 -9.472 1.559 518 HD11 LEU 70 HD11 LEU 70 59.335 -9.813 -0.577 519 HD12 LEU 70 HD12 LEU 70 58.532 -10.717 0.705 520 HD13 LEU 70 HD13 LEU 70 59.577 -11.557 -0.439 521 HD21 LEU 70 HD21 LEU 70 59.788 -11.608 2.581 522 HD22 LEU 70 HD22 LEU 70 61.510 -11.295 2.760 523 HD23 LEU 70 HD23 LEU 70 60.947 -12.451 1.556 524 H ALA 71 HN ALA 71 63.933 -8.028 -0.484 525 HA ALA 71 HA ALA 71 66.511 -9.147 -1.075 526 HB1 ALA 71 HB1 ALA 71 65.103 -10.344 -2.673 527 HB2 ALA 71 HB2 ALA 71 66.170 -9.201 -3.495 528 HB3 ALA 71 HB3 ALA 71 64.470 -8.810 -3.273 529 H VAL 72 HN VAL 72 67.827 -7.503 -1.136 530 HA VAL 72 HA VAL 72 66.862 -4.887 -2.066 531 HB VAL 72 HB VAL 72 69.425 -5.516 -0.552 532 HG11 VAL 72 HG11 VAL 72 68.162 -2.871 -1.259 533 HG12 VAL 72 HG12 VAL 72 69.638 -3.549 -1.944 534 HG13 VAL 72 HG13 VAL 72 69.591 -3.080 -0.245 535 HG21 VAL 72 HG21 VAL 72 66.891 -4.243 0.473 536 HG22 VAL 72 HG22 VAL 72 68.389 -4.450 1.387 537 HG23 VAL 72 HG23 VAL 72 67.464 -5.863 0.871 538 H SER 73 HN SER 73 67.216 -4.707 -4.145 539 HA SER 73 HA SER 73 69.582 -5.938 -5.312 540 HB2 SER 73 HB2 SER 73 67.296 -6.317 -6.352 541 HB3 SER 73 HB1 SER 73 67.246 -4.590 -6.678 542 HG SER 73 HG SER 73 69.382 -6.186 -7.613 543 H LEU 74 HN LEU 74 71.282 -4.680 -5.748 544 HA LEU 74 HA LEU 74 71.087 -1.834 -5.264 545 HB2 LEU 74 HB2 LEU 74 73.030 -3.651 -4.737 546 HB3 LEU 74 HB1 LEU 74 73.568 -3.126 -6.312 547 HG LEU 74 HG LEU 74 73.260 -1.406 -3.843 548 HD11 LEU 74 HD11 LEU 74 75.684 -1.220 -3.944 549 HD12 LEU 74 HD12 LEU 74 75.709 -2.343 -5.301 550 HD13 LEU 74 HD13 LEU 74 75.148 -2.885 -3.717 551 HD21 LEU 74 HD21 LEU 74 74.316 0.397 -5.128 552 HD22 LEU 74 HD22 LEU 74 72.780 -0.086 -5.861 553 HD23 LEU 74 HD23 LEU 74 74.305 -0.626 -6.563 554 H VAL 75 HN VAL 75 70.963 -0.357 -6.895 555 HA VAL 75 HA VAL 75 70.491 -1.304 -9.549 556 HB VAL 75 HB VAL 75 70.455 1.476 -8.307 557 HG11 VAL 75 HG11 VAL 75 69.345 2.294 -10.343 558 HG12 VAL 75 HG12 VAL 75 69.497 0.707 -11.093 559 HG13 VAL 75 HG13 VAL 75 70.939 1.669 -10.760 560 HG21 VAL 75 HG21 VAL 75 68.023 1.254 -8.574 561 HG22 VAL 75 HG22 VAL 75 68.723 0.003 -7.545 562 HG23 VAL 75 HG23 VAL 75 68.269 -0.377 -9.207 563 H TYR 76 HN TYR 76 73.270 -0.834 -8.021 564 HA TYR 76 HA TYR 76 74.673 -0.562 -10.550 565 HB2 TYR 76 HB2 TYR 76 74.768 1.562 -9.287 566 HB3 TYR 76 HB1 TYR 76 75.536 0.720 -7.945 567 HD1 TYR 76 HD1 TYR 76 76.021 1.894 -11.396 568 HD2 TYR 76 HD2 TYR 76 77.876 0.096 -8.023 569 HE1 TYR 76 HE1 TYR 76 78.227 2.258 -12.419 570 HE2 TYR 76 HE2 TYR 76 80.091 0.459 -9.040 571 HH TYR 76 HH TYR 76 81.007 0.728 -11.326 572 H HIS 77 HN HIS 77 75.325 -2.622 -10.782 573 HA HIS 77 HA HIS 77 76.740 -3.857 -8.529 574 HB2 HIS 77 HB2 HIS 77 74.415 -4.809 -8.876 575 HB3 HIS 77 HB1 HIS 77 74.941 -5.334 -10.470 576 HD1 HIS 77 HD1 HIS 77 74.868 -6.367 -6.958 577 HD2 HIS 77 HD2 HIS 77 77.023 -7.356 -10.371 578 HE1 HIS 77 HE1 HIS 77 76.011 -8.555 -6.458 579 H GLN 78 HN GLN 78 78.661 -4.817 -9.120 580 HA GLN 78 HA GLN 78 79.302 -4.691 -11.977 581 HB2 GLN 78 HB2 GLN 78 81.087 -4.172 -9.620 582 HB3 GLN 78 HB1 GLN 78 81.651 -4.328 -11.267 583 HG2 GLN 78 HG2 GLN 78 80.291 -2.377 -11.891 584 HG3 GLN 78 HG1 GLN 78 79.804 -2.212 -10.208 585 HE21 GLN 78 HE21 GLN 78 82.424 -2.967 -9.158 586 HE22 GLN 78 HE22 GLN 78 83.447 -1.620 -9.450 587 H GLN 79 HN GLN 79 80.366 -6.331 -12.836 588 HA GLN 79 HA GLN 79 80.648 -8.799 -11.353 589 HB2 GLN 79 HB2 GLN 79 79.847 -8.860 -13.672 590 HB3 GLN 79 HB1 GLN 79 81.301 -8.034 -14.209 591 HG2 GLN 79 HG2 GLN 79 82.616 -9.975 -13.423 592 HG3 GLN 79 HG1 GLN 79 81.103 -10.798 -13.056 593 HE21 GLN 79 HE21 GLN 79 83.224 -11.461 -14.940 594 HE22 GLN 79 HE22 GLN 79 82.454 -11.597 -16.475 595 H GLU 80 HN GLU 80 82.585 -6.419 -13.066 596 HA GLU 80 HA GLU 80 85.046 -7.537 -11.955 597 HB2 GLU 80 HB2 GLU 80 84.628 -5.551 -14.197 598 HB3 GLU 80 HB1 GLU 80 86.164 -6.236 -13.695 599 HG2 GLU 80 HG2 GLU 80 83.879 -7.810 -14.858 600 HG3 GLU 80 HG1 GLU 80 85.280 -7.230 -15.758 601 H GLU 81 HN GLU 81 85.266 -6.573 -9.954 602 HA GLU 81 HA GLU 81 84.733 -3.795 -9.478 603 HB2 GLU 81 HB2 GLU 81 86.320 -5.850 -7.942 604 HB3 GLU 81 HB1 GLU 81 86.120 -4.197 -7.392 605 HG2 GLU 81 HG2 GLU 81 83.890 -6.165 -7.851 606 HG3 GLU 81 HG1 GLU 81 84.597 -5.770 -6.288 607 H GLN 82 HN GLN 82 87.522 -5.762 -10.092 608 HA GLN 82 HA GLN 82 89.521 -5.465 -10.991 609 HB2 GLN 82 HB2 GLN 82 88.490 -2.809 -11.973 610 HB3 GLN 82 HB1 GLN 82 89.926 -3.641 -12.545 611 HG2 GLN 82 HG2 GLN 82 88.476 -5.507 -13.286 612 HG3 GLN 82 HG1 GLN 82 87.082 -4.541 -12.813 613 HE21 GLN 82 HE21 GLN 82 90.005 -3.239 -14.326 614 HE22 GLN 82 HE22 GLN 82 89.230 -2.823 -15.797 615 H GLY 83 HN GLY 83 91.367 -3.766 -11.234 616 HA2 GLY 83 HA2 GLY 83 91.466 -2.055 -8.890 617 HA3 GLY 83 HA1 GLY 83 92.749 -3.229 -9.172 618 H GLU 84 HN GLU 84 94.419 -2.252 -9.964 619 HA GLU 84 HA GLU 84 94.038 -0.195 -12.007 620 HB2 GLU 84 HB2 GLU 84 96.345 0.440 -11.569 621 HB3 GLU 84 HB1 GLU 84 95.464 0.396 -10.060 622 HG2 GLU 84 HG2 GLU 84 97.339 -1.769 -11.030 623 HG3 GLU 84 HG1 GLU 84 97.761 -0.515 -9.875 624 H GLU 85 HN GLU 85 94.808 -3.377 -11.406 625 HA GLU 85 HA GLU 85 95.582 -5.106 -12.471 626 HB2 GLU 85 HB2 GLU 85 95.039 -3.392 -14.894 627 HB3 GLU 85 HB1 GLU 85 95.821 -4.955 -15.076 628 HG2 GLU 85 HG2 GLU 85 93.442 -5.111 -15.537 629 HG3 GLU 85 HG1 GLU 85 93.850 -6.046 -14.106 630 H THR 86 HN THR 86 97.465 -5.420 -11.659 631 HA THR 86 HA THR 86 99.614 -3.725 -12.579 632 HB THR 86 HB THR 86 99.159 -3.357 -10.219 633 HG1 THR 86 HG1 THR 86 101.252 -3.172 -10.605 634 HG21 THR 86 HG21 THR 86 99.424 -5.122 -8.520 635 HG22 THR 86 HG22 THR 86 99.653 -6.308 -9.806 636 HG23 THR 86 HG23 THR 86 98.102 -5.486 -9.633 637 HA PRO 87 HA PRO 87 101.266 -7.585 -14.039 638 HB2 PRO 87 HB2 PRO 87 102.995 -6.600 -15.746 639 HB3 PRO 87 HB1 PRO 87 101.253 -6.252 -15.927 640 HG2 PRO 87 HG2 PRO 87 103.392 -4.491 -14.786 641 HG3 PRO 87 HG1 PRO 87 102.135 -4.086 -15.973 642 HD2 PRO 87 HD2 PRO 87 101.940 -3.679 -13.222 643 HD3 PRO 87 HD1 PRO 87 100.571 -3.756 -14.357 644 H ARG 88 HN ARG 88 103.771 -8.168 -14.477 645 HA ARG 88 HA ARG 88 105.212 -7.367 -12.063 646 HB2 ARG 88 HB2 ARG 88 106.388 -9.524 -12.158 647 HB3 ARG 88 HB1 ARG 88 104.653 -9.736 -11.983 648 HG2 ARG 88 HG2 ARG 88 104.446 -10.275 -14.316 649 HG3 ARG 88 HG1 ARG 88 106.167 -9.980 -14.566 650 HD2 ARG 88 HD2 ARG 88 106.680 -11.805 -13.012 651 HD3 ARG 88 HD1 ARG 88 104.956 -12.091 -12.789 652 HE ARG 88 HE ARG 88 105.142 -12.294 -15.393 653 HH11 ARG 88 HH11 ARG 88 107.235 -13.705 -12.886 654 HH12 ARG 88 HH12 ARG 88 107.649 -15.080 -13.788 655 HH21 ARG 88 HH21 ARG 88 105.763 -14.164 -16.661 656 HH22 ARG 88 HH22 ARG 88 106.795 -15.350 -16.014 657 H SER 89 HN SER 89 107.592 -7.333 -12.318 658 HA SER 89 HA SER 89 108.581 -7.068 -15.013 659 HB2 SER 89 HB2 SER 89 108.654 -4.810 -12.987 660 HB3 SER 89 HB1 SER 89 109.480 -4.800 -14.546 661 HG SER 89 HG SER 89 106.929 -5.432 -14.920 662 H HIS 90 HN HIS 90 110.810 -7.535 -15.021 663 HA HIS 90 HA HIS 90 111.744 -8.628 -12.540 664 HB2 HIS 90 HB2 HIS 90 113.155 -8.447 -15.215 665 HB3 HIS 90 HB1 HIS 90 113.746 -9.343 -13.822 666 HD1 HIS 90 HD1 HIS 90 111.729 -11.321 -13.038 667 HD2 HIS 90 HD2 HIS 90 111.930 -10.002 -16.984 668 HE1 HIS 90 HE1 HIS 90 110.570 -13.055 -14.431 669 H HIS 91 HN HIS 91 113.076 -7.728 -11.223 670 HA HIS 91 HA HIS 91 113.690 -4.939 -11.516 671 HB2 HIS 91 HB2 HIS 91 114.346 -6.888 -9.299 672 HB3 HIS 91 HB1 HIS 91 114.594 -5.147 -9.225 673 HD1 HIS 91 HD1 HIS 91 111.881 -7.754 -9.110 674 HD2 HIS 91 HD2 HIS 91 112.296 -3.628 -8.874 675 HE1 HIS 91 HE1 HIS 91 109.639 -6.859 -8.417 676 H HIS 92 HN HIS 92 115.425 -7.961 -11.443 677 HA HIS 92 HA HIS 92 117.713 -6.552 -12.588 678 HB2 HIS 92 HB2 HIS 92 117.822 -8.832 -10.579 679 HB3 HIS 92 HB1 HIS 92 119.205 -8.267 -11.498 680 HD1 HIS 92 HD1 HIS 92 120.555 -6.370 -10.414 681 HD2 HIS 92 HD2 HIS 92 116.780 -6.839 -8.729 682 HE1 HIS 92 HE1 HIS 92 120.502 -4.890 -8.400 683 H HIS 93 HN HIS 93 118.247 -7.334 -14.500 684 HA HIS 93 HA HIS 93 116.854 -9.668 -15.444 685 HB2 HIS 93 HB2 HIS 93 118.721 -7.729 -16.824 686 HB3 HIS 93 HB1 HIS 93 118.046 -9.133 -17.639 687 HD1 HIS 93 HD1 HIS 93 117.399 -6.191 -18.587 688 HD2 HIS 93 HD2 HIS 93 115.016 -8.512 -16.091 689 HE1 HIS 93 HE1 HIS 93 115.083 -5.256 -18.770 690 H HIS 94 HN HIS 94 117.826 -11.528 -16.219 691 HA HIS 94 HA HIS 94 120.136 -12.213 -14.622 692 HB2 HIS 94 HB2 HIS 94 118.153 -13.894 -16.131 693 HB3 HIS 94 HB1 HIS 94 119.625 -14.582 -15.457 694 HD1 HIS 94 HD1 HIS 94 116.360 -12.984 -14.357 695 HD2 HIS 94 HD2 HIS 94 119.618 -15.017 -12.766 696 HE1 HIS 94 HE1 HIS 94 115.774 -13.474 -11.976 697 H HIS 95 HN HIS 95 121.620 -13.911 -15.622 698 HA HIS 95 HA HIS 95 123.255 -14.509 -16.990 699 HB2 HIS 95 HB2 HIS 95 121.588 -13.319 -19.243 700 HB3 HIS 95 HB1 HIS 95 123.018 -14.317 -19.451 701 HD1 HIS 95 HD1 HIS 95 119.436 -14.561 -19.368 702 HD2 HIS 95 HD2 HIS 95 122.613 -17.003 -18.279 703 HE1 HIS 95 HE1 HIS 95 118.494 -16.879 -19.171 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 83.120 19.951 -4.381 2 H2 MET 1 HT2 MET 1 83.156 21.430 -5.192 3 H3 MET 1 HT3 MET 1 82.065 21.165 -3.940 4 HA MET 1 HA MET 1 84.980 21.088 -3.599 5 HB2 MET 1 HB2 MET 1 84.301 23.391 -4.113 6 HB3 MET 1 HB1 MET 1 83.042 23.316 -2.890 7 HG2 MET 1 HG2 MET 1 84.727 23.112 -1.144 8 HG3 MET 1 HG1 MET 1 86.005 23.142 -2.357 9 HE1 MET 1 HE1 MET 1 85.829 26.800 -3.710 10 HE2 MET 1 HE2 MET 1 85.104 25.350 -4.405 11 HE3 MET 1 HE3 MET 1 86.724 25.285 -3.719 12 H HIS 2 HN HIS 2 81.983 21.727 -1.734 13 HA HIS 2 HA HIS 2 83.230 20.263 0.437 14 HB2 HIS 2 HB2 HIS 2 82.234 22.463 0.947 15 HB3 HIS 2 HB1 HIS 2 80.665 21.874 0.408 16 HD1 HIS 2 HD1 HIS 2 83.165 21.412 3.233 17 HD2 HIS 2 HD2 HIS 2 79.244 20.422 2.261 18 HE1 HIS 2 HE1 HIS 2 82.149 20.458 5.313 19 H THR 3 HN THR 3 82.863 18.274 0.683 20 HA THR 3 HA THR 3 82.122 16.211 0.491 21 HB THR 3 HB THR 3 79.501 17.518 1.234 22 HG1 THR 3 HG1 THR 3 80.206 17.127 3.338 23 HG21 THR 3 HG21 THR 3 80.391 14.623 1.496 24 HG22 THR 3 HG22 THR 3 79.101 15.219 0.456 25 HG23 THR 3 HG23 THR 3 78.928 15.296 2.209 26 H ASN 4 HN ASN 4 82.624 16.027 -1.718 27 HA ASN 4 HA ASN 4 80.352 15.874 -3.502 28 HB2 ASN 4 HB2 ASN 4 82.502 16.537 -4.541 29 HB3 ASN 4 HB1 ASN 4 83.258 15.063 -3.946 30 HD21 ASN 4 HD21 ASN 4 80.934 16.361 -6.225 31 HD22 ASN 4 HD22 ASN 4 80.893 14.993 -7.268 32 H TRP 5 HN TRP 5 79.135 14.241 -3.515 33 HA TRP 5 HA TRP 5 80.053 11.738 -2.285 34 HB2 TRP 5 HB2 TRP 5 77.711 11.478 -1.495 35 HB3 TRP 5 HB1 TRP 5 78.616 12.767 -0.722 36 HD1 TRP 5 HD1 TRP 5 77.384 14.050 -3.995 37 HE1 TRP 5 HE1 TRP 5 75.289 15.475 -3.646 38 HE3 TRP 5 HE3 TRP 5 76.306 12.672 0.787 39 HZ2 TRP 5 HZ2 TRP 5 73.403 15.942 -1.598 40 HZ3 TRP 5 HZ3 TRP 5 74.348 13.620 1.870 41 HH2 TRP 5 HH2 TRP 5 72.905 15.235 0.698 42 H GLN 6 HN GLN 6 78.568 9.998 -2.693 43 HA GLN 6 HA GLN 6 77.957 9.928 -5.523 44 HB2 GLN 6 HB2 GLN 6 78.784 7.524 -5.368 45 HB3 GLN 6 HB1 GLN 6 80.008 8.779 -5.317 46 HG2 GLN 6 HG2 GLN 6 80.020 8.604 -2.870 47 HG3 GLN 6 HG1 GLN 6 78.932 7.238 -2.950 48 HE21 GLN 6 HE21 GLN 6 82.072 8.406 -3.272 49 HE22 GLN 6 HE22 GLN 6 82.908 6.949 -3.616 50 H VAL 7 HN VAL 7 76.086 8.959 -6.018 51 HA VAL 7 HA VAL 7 74.381 8.227 -3.733 52 HB VAL 7 HB VAL 7 72.469 8.931 -5.034 53 HG11 VAL 7 HG11 VAL 7 74.624 11.038 -5.158 54 HG12 VAL 7 HG12 VAL 7 73.568 10.717 -3.787 55 HG13 VAL 7 HG13 VAL 7 72.894 11.338 -5.287 56 HG21 VAL 7 HG21 VAL 7 72.689 9.967 -7.270 57 HG22 VAL 7 HG22 VAL 7 73.193 8.276 -7.271 58 HG23 VAL 7 HG23 VAL 7 74.401 9.554 -7.274 59 H CYS 8 HN CYS 8 73.006 6.484 -3.937 60 HA CYS 8 HA CYS 8 73.293 4.802 -6.273 61 HB2 CYS 8 HB2 CYS 8 73.567 2.812 -4.834 62 HB3 CYS 8 HB1 CYS 8 74.938 3.902 -4.734 63 HG CYS 8 HG CYS 8 73.705 5.085 -2.352 64 H SER 9 HN SER 9 71.534 3.368 -6.517 65 HA SER 9 HA SER 9 69.217 4.056 -4.878 66 HB2 SER 9 HB2 SER 9 68.844 5.072 -7.011 67 HB3 SER 9 HB1 SER 9 69.276 3.588 -7.887 68 HG SER 9 HG SER 9 66.984 4.171 -7.596 69 H LEU 10 HN LEU 10 68.015 2.472 -4.202 70 HA LEU 10 HA LEU 10 68.862 -0.285 -4.786 71 HB2 LEU 10 HB2 LEU 10 68.024 0.953 -2.194 72 HB3 LEU 10 HB1 LEU 10 68.410 -0.727 -2.406 73 HG LEU 10 HG LEU 10 70.341 1.553 -2.778 74 HD11 LEU 10 HD11 LEU 10 70.020 -0.407 -0.488 75 HD12 LEU 10 HD12 LEU 10 69.637 1.312 -0.436 76 HD13 LEU 10 HD13 LEU 10 71.310 0.787 -0.638 77 HD21 LEU 10 HD21 LEU 10 72.055 -0.209 -2.726 78 HD22 LEU 10 HD22 LEU 10 70.955 -0.360 -4.091 79 HD23 LEU 10 HD23 LEU 10 70.780 -1.432 -2.697 80 H VAL 11 HN VAL 11 67.201 -1.503 -5.405 81 HA VAL 11 HA VAL 11 64.466 -0.591 -4.869 82 HB VAL 11 HB VAL 11 65.330 -3.022 -6.502 83 HG11 VAL 11 HG11 VAL 11 63.014 -3.078 -7.299 84 HG12 VAL 11 HG12 VAL 11 62.617 -1.729 -6.245 85 HG13 VAL 11 HG13 VAL 11 63.103 -3.280 -5.549 86 HG21 VAL 11 HG21 VAL 11 65.996 -0.945 -7.594 87 HG22 VAL 11 HG22 VAL 11 64.345 -0.345 -7.476 88 HG23 VAL 11 HG23 VAL 11 64.708 -1.746 -8.485 89 H VAL 12 HN VAL 12 64.022 -1.025 -2.878 90 HA VAL 12 HA VAL 12 64.873 -3.508 -1.693 91 HB VAL 12 HB VAL 12 63.360 -1.154 -0.528 92 HG11 VAL 12 HG11 VAL 12 62.840 -3.219 0.685 93 HG12 VAL 12 HG12 VAL 12 63.835 -2.143 1.668 94 HG13 VAL 12 HG13 VAL 12 64.565 -3.537 0.872 95 HG21 VAL 12 HG21 VAL 12 65.458 -0.637 0.630 96 HG22 VAL 12 HG22 VAL 12 65.651 -0.581 -1.122 97 HG23 VAL 12 HG23 VAL 12 66.242 -1.969 -0.212 98 H GLN 13 HN GLN 13 63.734 -5.151 -2.191 99 HA GLN 13 HA GLN 13 60.849 -5.000 -2.616 100 HB2 GLN 13 HB2 GLN 13 62.800 -7.313 -2.806 101 HB3 GLN 13 HB1 GLN 13 61.134 -7.324 -3.364 102 HG2 GLN 13 HG2 GLN 13 61.618 -5.757 -5.085 103 HG3 GLN 13 HG1 GLN 13 63.229 -5.461 -4.440 104 HE21 GLN 13 HE21 GLN 13 61.786 -8.647 -4.718 105 HE22 GLN 13 HE22 GLN 13 62.855 -9.207 -5.943 106 H ALA 14 HN ALA 14 59.612 -5.342 -0.871 107 HA ALA 14 HA ALA 14 60.682 -6.949 1.328 108 HB1 ALA 14 HB1 ALA 14 60.167 -5.213 2.936 109 HB2 ALA 14 HB2 ALA 14 59.678 -4.127 1.637 110 HB3 ALA 14 HB3 ALA 14 61.358 -4.639 1.768 111 H LYS 15 HN LYS 15 59.005 -7.147 3.062 112 HA LYS 15 HA LYS 15 56.557 -8.152 2.085 113 HB2 LYS 15 HB2 LYS 15 57.483 -7.385 4.842 114 HB3 LYS 15 HB1 LYS 15 55.815 -7.837 4.578 115 HG2 LYS 15 HG2 LYS 15 57.091 -9.691 5.471 116 HG3 LYS 15 HG1 LYS 15 56.546 -10.054 3.842 117 HD2 LYS 15 HD2 LYS 15 58.714 -9.731 2.960 118 HD3 LYS 15 HD1 LYS 15 59.286 -8.987 4.448 119 HE2 LYS 15 HE2 LYS 15 60.086 -11.282 4.177 120 HE3 LYS 15 HE1 LYS 15 59.097 -11.093 5.624 121 HZ1 LYS 15 HZ1 LYS 15 58.224 -12.295 3.041 122 HZ2 LYS 15 HZ2 LYS 15 57.238 -12.087 4.385 123 HZ3 LYS 15 HZ3 LYS 15 58.571 -13.123 4.462 124 H SER 16 HN SER 16 54.841 -7.114 1.420 125 HA SER 16 HA SER 16 54.679 -4.341 1.240 126 HB2 SER 16 HB2 SER 16 53.629 -5.879 -0.321 127 HB3 SER 16 HB1 SER 16 52.516 -6.420 0.938 128 HG SER 16 HG SER 16 52.680 -3.913 -0.359 129 H GLU 17 HN GLU 17 53.132 -6.621 3.465 130 HA GLU 17 HA GLU 17 51.484 -4.693 4.742 131 HB2 GLU 17 HB2 GLU 17 51.100 -6.435 6.434 132 HB3 GLU 17 HB1 GLU 17 50.925 -7.052 4.801 133 HG2 GLU 17 HG2 GLU 17 53.199 -8.012 4.967 134 HG3 GLU 17 HG1 GLU 17 53.275 -7.461 6.636 135 H ARG 18 HN ARG 18 54.790 -5.304 4.951 136 HA ARG 18 HA ARG 18 54.963 -4.195 7.657 137 HB2 ARG 18 HB2 ARG 18 55.886 -6.509 7.142 138 HB3 ARG 18 HB1 ARG 18 57.051 -5.691 6.115 139 HG2 ARG 18 HG2 ARG 18 58.103 -4.667 7.953 140 HG3 ARG 18 HG1 ARG 18 56.822 -5.173 9.065 141 HD2 ARG 18 HD2 ARG 18 57.364 -7.512 8.622 142 HD3 ARG 18 HD1 ARG 18 58.657 -7.019 7.536 143 HE ARG 18 HE ARG 18 59.574 -5.895 9.651 144 HH11 ARG 18 HH11 ARG 18 57.831 -8.970 9.594 145 HH12 ARG 18 HH12 ARG 18 58.586 -9.594 10.978 146 HH21 ARG 18 HH21 ARG 18 60.651 -6.759 11.502 147 HH22 ARG 18 HH22 ARG 18 60.243 -8.317 12.098 148 H ILE 19 HN ILE 19 55.047 -3.226 4.551 149 HA ILE 19 HA ILE 19 57.414 -1.797 4.254 150 HB ILE 19 HB ILE 19 54.713 -1.507 2.975 151 HG12 ILE 19 HG12 ILE 19 57.460 -2.204 1.937 152 HG13 ILE 19 HG11 ILE 19 56.117 -3.313 2.211 153 HG21 ILE 19 HG21 ILE 19 57.005 0.389 2.517 154 HG22 ILE 19 HG22 ILE 19 55.389 0.803 3.077 155 HG23 ILE 19 HG23 ILE 19 55.632 0.226 1.426 156 HD11 ILE 19 HD11 ILE 19 54.897 -2.346 0.396 157 HD12 ILE 19 HD12 ILE 19 56.555 -2.707 -0.152 158 HD13 ILE 19 HD13 ILE 19 56.093 -1.061 0.239 159 H SER 20 HN SER 20 54.484 -0.889 5.916 160 HA SER 20 HA SER 20 54.846 1.803 6.300 161 HB2 SER 20 HB2 SER 20 53.847 -0.128 8.381 162 HB3 SER 20 HB1 SER 20 53.271 1.509 8.032 163 HG SER 20 HG SER 20 52.680 0.658 5.913 164 H ASP 21 HN ASP 21 56.104 -0.920 8.200 165 HA ASP 21 HA ASP 21 57.506 0.679 10.114 166 HB2 ASP 21 HB2 ASP 21 57.803 -2.262 9.436 167 HB3 ASP 21 HB1 ASP 21 58.517 -1.469 10.826 168 H ILE 22 HN ILE 22 58.390 -1.277 7.331 169 HA ILE 22 HA ILE 22 61.167 -1.046 7.532 170 HB ILE 22 HB ILE 22 59.449 -1.569 5.098 171 HG12 ILE 22 HG12 ILE 22 60.934 -3.468 6.924 172 HG13 ILE 22 HG11 ILE 22 59.209 -3.129 7.003 173 HG21 ILE 22 HG21 ILE 22 61.457 -2.567 4.080 174 HG22 ILE 22 HG22 ILE 22 62.421 -2.027 5.451 175 HG23 ILE 22 HG23 ILE 22 61.665 -0.844 4.383 176 HD11 ILE 22 HD11 ILE 22 59.609 -5.205 5.861 177 HD12 ILE 22 HD12 ILE 22 60.707 -4.396 4.747 178 HD13 ILE 22 HD13 ILE 22 58.983 -4.012 4.713 179 H SER 23 HN SER 23 58.882 1.004 5.728 180 HA SER 23 HA SER 23 60.832 2.525 4.418 181 HB2 SER 23 HB2 SER 23 58.050 3.375 5.249 182 HB3 SER 23 HB1 SER 23 59.048 4.143 4.009 183 HG SER 23 HG SER 23 57.725 1.690 4.011 184 H THR 24 HN THR 24 59.508 2.814 7.672 185 HA THR 24 HA THR 24 60.575 5.452 8.046 186 HB THR 24 HB THR 24 59.416 3.479 10.045 187 HG1 THR 24 HG1 THR 24 57.549 4.108 9.294 188 HG21 THR 24 HG21 THR 24 59.082 5.479 11.471 189 HG22 THR 24 HG22 THR 24 59.900 6.469 10.259 190 HG23 THR 24 HG23 THR 24 60.790 5.211 11.117 191 H GLN 25 HN GLN 25 61.414 2.164 8.729 192 HA GLN 25 HA GLN 25 63.683 2.635 10.278 193 HB2 GLN 25 HB2 GLN 25 62.374 0.485 8.870 194 HB3 GLN 25 HB1 GLN 25 64.083 0.219 9.066 195 HG2 GLN 25 HG2 GLN 25 63.761 0.580 11.520 196 HG3 GLN 25 HG1 GLN 25 62.037 0.784 11.220 197 HE21 GLN 25 HE21 GLN 25 60.817 -0.961 10.763 198 HE22 GLN 25 HE22 GLN 25 61.359 -2.599 10.934 199 H LEU 26 HN LEU 26 63.248 2.226 6.714 200 HA LEU 26 HA LEU 26 65.950 2.311 6.123 201 HB2 LEU 26 HB2 LEU 26 63.613 3.113 4.337 202 HB3 LEU 26 HB1 LEU 26 65.247 2.818 3.920 203 HG LEU 26 HG LEU 26 63.543 0.678 5.149 204 HD11 LEU 26 HD11 LEU 26 62.532 1.357 3.062 205 HD12 LEU 26 HD12 LEU 26 63.293 -0.224 2.893 206 HD13 LEU 26 HD13 LEU 26 64.083 1.213 2.241 207 HD21 LEU 26 HD21 LEU 26 65.249 -0.814 4.213 208 HD22 LEU 26 HD22 LEU 26 65.939 0.327 5.368 209 HD23 LEU 26 HD23 LEU 26 66.144 0.591 3.634 210 H ASN 27 HN ASN 27 63.526 4.826 6.484 211 HA ASN 27 HA ASN 27 65.292 6.918 5.613 212 HB2 ASN 27 HB2 ASN 27 62.623 6.928 6.945 213 HB3 ASN 27 HB1 ASN 27 63.518 8.435 6.752 214 HD21 ASN 27 HD21 ASN 27 61.536 6.088 5.314 215 HD22 ASN 27 HD22 ASN 27 61.355 6.817 3.777 216 H ALA 28 HN ALA 28 65.384 5.122 8.346 217 HA ALA 28 HA ALA 28 65.994 7.295 10.148 218 HB1 ALA 28 HB1 ALA 28 64.760 5.344 10.991 219 HB2 ALA 28 HB2 ALA 28 66.278 5.582 11.852 220 HB3 ALA 28 HB3 ALA 28 66.149 4.323 10.623 221 H PHE 29 HN PHE 29 67.790 5.075 8.052 222 HA PHE 29 HA PHE 29 70.153 5.294 9.507 223 HB2 PHE 29 HB2 PHE 29 69.663 4.438 6.661 224 HB3 PHE 29 HB1 PHE 29 71.116 4.201 7.594 225 HD1 PHE 29 HD1 PHE 29 70.680 2.934 9.923 226 HD2 PHE 29 HD2 PHE 29 68.261 2.670 6.440 227 HE1 PHE 29 HE1 PHE 29 69.837 0.747 10.685 228 HE2 PHE 29 HE2 PHE 29 67.405 0.487 7.194 229 HZ PHE 29 HZ PHE 29 68.189 -0.473 9.317 230 HA PRO 30 HA PRO 30 71.383 9.283 7.973 231 HB2 PRO 30 HB2 PRO 30 74.184 8.433 8.173 232 HB3 PRO 30 HB1 PRO 30 73.327 9.659 9.104 233 HG2 PRO 30 HG2 PRO 30 74.104 7.308 10.172 234 HG3 PRO 30 HG1 PRO 30 72.643 8.157 10.703 235 HD2 PRO 30 HD2 PRO 30 72.897 5.784 8.882 236 HD3 PRO 30 HD1 PRO 30 71.702 6.143 10.148 237 H GLY 31 HN GLY 31 71.044 9.597 5.889 238 HA2 GLY 31 HA2 GLY 31 71.963 10.075 3.751 239 HA3 GLY 31 HA1 GLY 31 73.142 8.792 3.996 240 H CYS 32 HN CYS 32 70.165 7.757 4.963 241 HA CYS 32 HA CYS 32 69.690 6.482 2.368 242 HB2 CYS 32 HB2 CYS 32 70.520 4.950 3.978 243 HB3 CYS 32 HB1 CYS 32 69.367 5.538 5.181 244 HG CYS 32 HG CYS 32 67.398 4.147 4.521 245 H GLU 33 HN GLU 33 67.929 7.321 1.490 246 HA GLU 33 HA GLU 33 65.591 7.805 3.205 247 HB2 GLU 33 HB2 GLU 33 66.592 10.000 2.659 248 HB3 GLU 33 HB1 GLU 33 66.510 9.604 0.946 249 HG2 GLU 33 HG2 GLU 33 64.037 9.443 1.160 250 HG3 GLU 33 HG1 GLU 33 64.198 9.979 2.818 251 H VAL 34 HN VAL 34 63.663 7.223 2.336 252 HA VAL 34 HA VAL 34 63.720 5.583 -0.071 253 HB VAL 34 HB VAL 34 61.360 6.241 1.725 254 HG11 VAL 34 HG11 VAL 34 60.327 4.231 0.780 255 HG12 VAL 34 HG12 VAL 34 61.730 3.998 -0.260 256 HG13 VAL 34 HG13 VAL 34 60.708 5.413 -0.473 257 HG21 VAL 34 HG21 VAL 34 61.728 4.098 2.818 258 HG22 VAL 34 HG22 VAL 34 63.114 5.183 3.005 259 HG23 VAL 34 HG23 VAL 34 63.180 3.847 1.846 260 H ALA 35 HN ALA 35 63.043 6.375 -1.962 261 HA ALA 35 HA ALA 35 61.901 9.084 -1.991 262 HB1 ALA 35 HB1 ALA 35 63.968 8.785 -3.277 263 HB2 ALA 35 HB2 ALA 35 62.617 9.186 -4.337 264 HB3 ALA 35 HB3 ALA 35 63.192 7.523 -4.234 265 H VAL 36 HN VAL 36 61.610 6.145 -3.946 266 HA VAL 36 HA VAL 36 58.781 6.776 -4.373 267 HB VAL 36 HB VAL 36 60.521 4.725 -5.791 268 HG11 VAL 36 HG11 VAL 36 58.175 4.131 -5.845 269 HG12 VAL 36 HG12 VAL 36 58.723 4.631 -7.450 270 HG13 VAL 36 HG13 VAL 36 57.763 5.732 -6.461 271 HG21 VAL 36 HG21 VAL 36 61.302 6.982 -6.272 272 HG22 VAL 36 HG22 VAL 36 59.669 7.471 -6.714 273 HG23 VAL 36 HG23 VAL 36 60.529 6.286 -7.697 274 H SER 37 HN SER 37 57.273 5.570 -3.413 275 HA SER 37 HA SER 37 58.126 3.076 -2.183 276 HB2 SER 37 HB2 SER 37 56.482 3.727 -0.313 277 HB3 SER 37 HB1 SER 37 58.036 4.560 -0.353 278 HG SER 37 HG SER 37 55.900 5.649 -1.783 279 H ASP 38 HN ASP 38 57.149 1.566 -3.359 280 HA ASP 38 HA ASP 38 54.342 1.963 -4.141 281 HB2 ASP 38 HB2 ASP 38 56.285 -0.141 -5.146 282 HB3 ASP 38 HB1 ASP 38 54.655 -0.074 -5.594 283 H ALA 39 HN ALA 39 53.408 1.458 -2.187 284 HA ALA 39 HA ALA 39 54.029 -0.744 -0.619 285 HB1 ALA 39 HB1 ALA 39 51.291 0.492 -0.980 286 HB2 ALA 39 HB2 ALA 39 52.529 1.069 0.137 287 HB3 ALA 39 HB3 ALA 39 51.805 -0.520 0.365 288 HA PRO 40 HA PRO 40 50.518 -3.199 -3.326 289 HB2 PRO 40 HB2 PRO 40 50.803 -2.563 -5.982 290 HB3 PRO 40 HB1 PRO 40 49.604 -1.799 -4.924 291 HG2 PRO 40 HG2 PRO 40 52.422 -0.901 -5.468 292 HG3 PRO 40 HG1 PRO 40 51.013 0.086 -5.784 293 HD2 PRO 40 HD2 PRO 40 52.156 0.516 -3.581 294 HD3 PRO 40 HD1 PRO 40 50.452 0.013 -3.397 295 H SER 41 HN SER 41 53.546 -2.160 -4.910 296 HA SER 41 HA SER 41 54.020 -4.712 -6.111 297 HB2 SER 41 HB2 SER 41 55.899 -2.373 -5.908 298 HB3 SER 41 HB1 SER 41 55.834 -3.615 -7.158 299 HG SER 41 HG SER 41 53.622 -2.774 -7.529 300 H GLY 42 HN GLY 42 54.881 -3.142 -3.130 301 HA2 GLY 42 HA2 GLY 42 56.081 -4.066 -1.350 302 HA3 GLY 42 HA1 GLY 42 56.532 -5.398 -2.398 303 H GLN 43 HN GLN 43 56.892 -2.121 -3.449 304 HA GLN 43 HA GLN 43 59.796 -2.546 -3.623 305 HB2 GLN 43 HB2 GLN 43 57.845 -1.252 -5.445 306 HB3 GLN 43 HB1 GLN 43 59.528 -0.876 -5.612 307 HG2 GLN 43 HG2 GLN 43 59.913 -3.318 -5.950 308 HG3 GLN 43 HG1 GLN 43 58.165 -3.533 -5.899 309 HE21 GLN 43 HE21 GLN 43 57.800 -0.873 -7.302 310 HE22 GLN 43 HE22 GLN 43 58.183 -1.197 -8.936 311 H LEU 44 HN LEU 44 60.984 -1.205 -2.621 312 HA LEU 44 HA LEU 44 60.050 1.544 -2.174 313 HB2 LEU 44 HB2 LEU 44 61.718 -0.152 -0.301 314 HB3 LEU 44 HB1 LEU 44 61.296 1.529 -0.055 315 HG LEU 44 HG LEU 44 59.281 -0.703 -0.203 316 HD11 LEU 44 HD11 LEU 44 60.744 -1.007 1.710 317 HD12 LEU 44 HD12 LEU 44 59.132 -0.498 2.221 318 HD13 LEU 44 HD13 LEU 44 60.465 0.663 2.210 319 HD21 LEU 44 HD21 LEU 44 59.059 2.163 0.720 320 HD22 LEU 44 HD22 LEU 44 57.774 0.954 0.758 321 HD23 LEU 44 HD23 LEU 44 58.416 1.499 -0.783 322 H ILE 45 HN ILE 45 61.287 2.896 -3.246 323 HA ILE 45 HA ILE 45 63.942 2.076 -4.141 324 HB ILE 45 HB ILE 45 62.265 4.529 -4.758 325 HG12 ILE 45 HG12 ILE 45 61.516 2.455 -5.855 326 HG13 ILE 45 HG11 ILE 45 62.128 3.621 -7.028 327 HG21 ILE 45 HG21 ILE 45 65.007 3.871 -5.838 328 HG22 ILE 45 HG22 ILE 45 64.600 5.204 -4.761 329 HG23 ILE 45 HG23 ILE 45 63.972 5.180 -6.411 330 HD11 ILE 45 HD11 ILE 45 63.604 1.209 -5.978 331 HD12 ILE 45 HD12 ILE 45 64.243 2.392 -7.115 332 HD13 ILE 45 HD13 ILE 45 62.871 1.387 -7.572 333 H VAL 46 HN VAL 46 65.604 2.537 -2.994 334 HA VAL 46 HA VAL 46 65.412 4.705 -1.041 335 HB VAL 46 HB VAL 46 66.904 2.068 -0.887 336 HG11 VAL 46 HG11 VAL 46 67.001 4.389 1.041 337 HG12 VAL 46 HG12 VAL 46 68.299 3.920 -0.053 338 HG13 VAL 46 HG13 VAL 46 67.799 2.829 1.245 339 HG21 VAL 46 HG21 VAL 46 64.489 2.073 -0.236 340 HG22 VAL 46 HG22 VAL 46 64.885 3.238 1.047 341 HG23 VAL 46 HG23 VAL 46 65.601 1.647 1.052 342 H VAL 47 HN VAL 47 66.793 6.281 -1.259 343 HA VAL 47 HA VAL 47 69.011 5.957 -3.148 344 HB VAL 47 HB VAL 47 67.730 8.537 -2.166 345 HG11 VAL 47 HG11 VAL 47 69.792 8.072 -4.323 346 HG12 VAL 47 HG12 VAL 47 70.084 8.806 -2.747 347 HG13 VAL 47 HG13 VAL 47 69.056 9.625 -3.927 348 HG21 VAL 47 HG21 VAL 47 67.452 7.163 -4.842 349 HG22 VAL 47 HG22 VAL 47 66.798 8.750 -4.435 350 HG23 VAL 47 HG23 VAL 47 66.191 7.305 -3.617 351 H VAL 48 HN VAL 48 70.789 5.539 -2.143 352 HA VAL 48 HA VAL 48 71.249 6.687 0.516 353 HB VAL 48 HB VAL 48 72.608 4.319 -0.810 354 HG11 VAL 48 HG11 VAL 48 72.890 5.361 2.005 355 HG12 VAL 48 HG12 VAL 48 74.067 5.578 0.722 356 HG13 VAL 48 HG13 VAL 48 73.715 3.952 1.326 357 HG21 VAL 48 HG21 VAL 48 71.515 2.972 0.931 358 HG22 VAL 48 HG22 VAL 48 70.377 3.732 -0.176 359 HG23 VAL 48 HG23 VAL 48 70.619 4.404 1.445 360 H GLU 49 HN GLU 49 72.733 8.211 0.639 361 HA GLU 49 HA GLU 49 74.718 8.384 -1.458 362 HB2 GLU 49 HB2 GLU 49 74.285 10.817 -1.700 363 HB3 GLU 49 HB1 GLU 49 72.957 9.784 -2.209 364 HG2 GLU 49 HG2 GLU 49 71.925 10.216 0.052 365 HG3 GLU 49 HG1 GLU 49 73.133 11.489 0.240 366 H ALA 50 HN ALA 50 76.659 8.860 -0.791 367 HA ALA 50 HA ALA 50 77.165 10.195 1.701 368 HB1 ALA 50 HB1 ALA 50 78.448 8.312 2.659 369 HB2 ALA 50 HB2 ALA 50 77.952 7.300 1.299 370 HB3 ALA 50 HB3 ALA 50 76.748 7.881 2.437 371 H GLU 51 HN GLU 51 79.556 10.501 1.916 372 HA GLU 51 HA GLU 51 80.701 11.084 -0.623 373 HB2 GLU 51 HB2 GLU 51 81.159 12.472 1.370 374 HB3 GLU 51 HB1 GLU 51 82.054 11.131 2.078 375 HG2 GLU 51 HG2 GLU 51 83.615 11.196 0.167 376 HG3 GLU 51 HG1 GLU 51 82.747 12.584 -0.471 377 H ASP 52 HN ASP 52 82.001 9.062 1.978 378 HA ASP 52 HA ASP 52 83.870 7.767 0.249 379 HB2 ASP 52 HB2 ASP 52 82.943 6.808 2.961 380 HB3 ASP 52 HB1 ASP 52 84.422 6.365 2.141 381 H SER 53 HN SER 53 83.738 5.788 -0.668 382 HA SER 53 HA SER 53 81.207 4.735 -1.290 383 HB2 SER 53 HB2 SER 53 83.935 3.482 -1.590 384 HB3 SER 53 HB1 SER 53 82.462 2.995 -2.440 385 HG SER 53 HG SER 53 82.363 5.073 -3.298 386 H GLU 54 HN GLU 54 83.644 3.937 1.057 387 HA GLU 54 HA GLU 54 82.663 1.432 1.913 388 HB2 GLU 54 HB2 GLU 54 84.897 2.257 2.438 389 HB3 GLU 54 HB1 GLU 54 84.209 3.582 3.353 390 HG2 GLU 54 HG2 GLU 54 83.255 1.907 4.921 391 HG3 GLU 54 HG1 GLU 54 84.157 0.666 4.045 392 H THR 55 HN THR 55 82.178 4.735 3.060 393 HA THR 55 HA THR 55 80.428 4.237 5.154 394 HB THR 55 HB THR 55 80.585 6.655 3.332 395 HG1 THR 55 HG1 THR 55 82.295 7.311 4.666 396 HG21 THR 55 HG21 THR 55 78.702 6.667 4.956 397 HG22 THR 55 HG22 THR 55 79.912 7.909 5.295 398 HG23 THR 55 HG23 THR 55 79.874 6.436 6.264 399 H LEU 56 HN LEU 56 79.950 4.760 1.694 400 HA LEU 56 HA LEU 56 77.144 4.800 1.590 401 HB2 LEU 56 HB2 LEU 56 78.811 5.385 -0.231 402 HB3 LEU 56 HB1 LEU 56 79.059 3.671 -0.462 403 HG LEU 56 HG LEU 56 76.585 3.516 -0.990 404 HD11 LEU 56 HD11 LEU 56 75.936 5.630 0.018 405 HD12 LEU 56 HD12 LEU 56 75.481 5.557 -1.683 406 HD13 LEU 56 HD13 LEU 56 76.881 6.504 -1.184 407 HD21 LEU 56 HD21 LEU 56 78.358 5.167 -2.792 408 HD22 LEU 56 HD22 LEU 56 76.899 4.322 -3.291 409 HD23 LEU 56 HD23 LEU 56 78.296 3.406 -2.723 410 H ILE 57 HN ILE 57 79.495 2.142 1.182 411 HA ILE 57 HA ILE 57 77.785 -0.015 0.768 412 HB ILE 57 HB ILE 57 80.389 -0.115 2.324 413 HG12 ILE 57 HG12 ILE 57 80.832 0.865 0.152 414 HG13 ILE 57 HG11 ILE 57 81.463 -0.772 0.191 415 HG21 ILE 57 HG21 ILE 57 80.528 -2.455 1.602 416 HG22 ILE 57 HG22 ILE 57 78.926 -2.316 0.883 417 HG23 ILE 57 HG23 ILE 57 79.127 -2.145 2.625 418 HD11 ILE 57 HD11 ILE 57 80.455 -0.299 -1.916 419 HD12 ILE 57 HD12 ILE 57 78.939 0.157 -1.137 420 HD13 ILE 57 HD13 ILE 57 79.498 -1.525 -1.077 421 H GLN 58 HN GLN 58 79.066 1.203 3.832 422 HA GLN 58 HA GLN 58 77.833 -0.747 5.446 423 HB2 GLN 58 HB2 GLN 58 78.816 2.001 6.154 424 HB3 GLN 58 HB1 GLN 58 78.323 0.793 7.333 425 HG2 GLN 58 HG2 GLN 58 80.081 -0.702 6.545 426 HG3 GLN 58 HG1 GLN 58 80.563 0.498 5.350 427 HE21 GLN 58 HE21 GLN 58 80.103 2.726 7.221 428 HE22 GLN 58 HE22 GLN 58 81.427 2.661 8.311 429 H THR 59 HN THR 59 76.670 2.295 4.227 430 HA THR 59 HA THR 59 74.382 2.291 5.915 431 HB THR 59 HB THR 59 74.753 3.794 3.291 432 HG1 THR 59 HG1 THR 59 76.453 4.315 4.776 433 HG21 THR 59 HG21 THR 59 73.017 4.348 5.714 434 HG22 THR 59 HG22 THR 59 72.443 3.754 4.160 435 HG23 THR 59 HG23 THR 59 73.135 5.373 4.282 436 H ILE 60 HN ILE 60 75.138 1.111 2.655 437 HA ILE 60 HA ILE 60 72.547 0.172 1.976 438 HB ILE 60 HB ILE 60 75.262 -0.867 1.062 439 HG12 ILE 60 HG12 ILE 60 73.393 1.136 -0.254 440 HG13 ILE 60 HG11 ILE 60 74.903 1.519 0.557 441 HG21 ILE 60 HG21 ILE 60 73.523 -2.519 0.628 442 HG22 ILE 60 HG22 ILE 60 74.056 -1.785 -0.888 443 HG23 ILE 60 HG23 ILE 60 72.530 -1.294 -0.162 444 HD11 ILE 60 HD11 ILE 60 76.134 0.247 -1.135 445 HD12 ILE 60 HD12 ILE 60 75.173 1.535 -1.853 446 HD13 ILE 60 HD13 ILE 60 74.615 -0.135 -1.945 447 H GLU 61 HN GLU 61 75.290 -1.299 3.603 448 HA GLU 61 HA GLU 61 74.420 -3.903 4.054 449 HB2 GLU 61 HB2 GLU 61 76.675 -3.000 4.602 450 HB3 GLU 61 HB1 GLU 61 75.977 -2.102 5.935 451 HG2 GLU 61 HG2 GLU 61 77.086 -4.045 6.792 452 HG3 GLU 61 HG1 GLU 61 75.350 -4.255 6.995 453 H SER 62 HN SER 62 73.865 -0.973 5.966 454 HA SER 62 HA SER 62 72.352 -1.966 8.047 455 HB2 SER 62 HB2 SER 62 72.375 0.614 6.582 456 HB3 SER 62 HB1 SER 62 71.434 0.387 8.044 457 HG SER 62 HG SER 62 74.273 0.294 7.662 458 H VAL 63 HN VAL 63 71.333 -0.796 4.892 459 HA VAL 63 HA VAL 63 68.561 -1.034 5.197 460 HB VAL 63 HB VAL 63 70.434 -1.064 2.887 461 HG11 VAL 63 HG11 VAL 63 67.384 -0.907 2.772 462 HG12 VAL 63 HG12 VAL 63 68.366 -2.220 2.123 463 HG13 VAL 63 HG13 VAL 63 68.445 -0.613 1.393 464 HG21 VAL 63 HG21 VAL 63 68.580 1.045 3.941 465 HG22 VAL 63 HG22 VAL 63 69.578 1.217 2.494 466 HG23 VAL 63 HG23 VAL 63 70.337 1.006 4.069 467 H ARG 64 HN ARG 64 71.031 -3.318 4.170 468 HA ARG 64 HA ARG 64 69.194 -5.407 3.447 469 HB2 ARG 64 HB2 ARG 64 72.150 -5.614 4.068 470 HB3 ARG 64 HB1 ARG 64 71.181 -6.845 3.272 471 HG2 ARG 64 HG2 ARG 64 70.822 -5.284 1.396 472 HG3 ARG 64 HG1 ARG 64 71.889 -4.124 2.196 473 HD2 ARG 64 HD2 ARG 64 73.191 -5.308 0.564 474 HD3 ARG 64 HD1 ARG 64 73.679 -5.885 2.157 475 HE ARG 64 HE ARG 64 71.613 -7.466 1.029 476 HH11 ARG 64 HH11 ARG 64 75.133 -7.024 1.017 477 HH12 ARG 64 HH12 ARG 64 75.498 -8.537 0.373 478 HH21 ARG 64 HH21 ARG 64 72.119 -9.635 0.134 479 HH22 ARG 64 HH22 ARG 64 73.744 -10.075 -0.075 480 H ASN 65 HN ASN 65 70.190 -4.170 6.388 481 HA ASN 65 HA ASN 65 69.999 -6.648 7.903 482 HB2 ASN 65 HB2 ASN 65 70.637 -3.810 8.638 483 HB3 ASN 65 HB1 ASN 65 70.176 -4.961 9.871 484 HD21 ASN 65 HD21 ASN 65 72.127 -5.836 7.085 485 HD22 ASN 65 HD22 ASN 65 73.578 -6.066 7.981 486 H VAL 66 HN VAL 66 67.810 -4.506 6.597 487 HA VAL 66 HA VAL 66 66.031 -4.454 8.897 488 HB VAL 66 HB VAL 66 65.403 -3.634 6.048 489 HG11 VAL 66 HG11 VAL 66 63.519 -2.422 7.098 490 HG12 VAL 66 HG12 VAL 66 64.015 -3.066 8.668 491 HG13 VAL 66 HG13 VAL 66 63.446 -4.162 7.419 492 HG21 VAL 66 HG21 VAL 66 67.216 -2.262 6.937 493 HG22 VAL 66 HG22 VAL 66 66.270 -1.937 8.392 494 HG23 VAL 66 HG23 VAL 66 65.725 -1.323 6.832 495 H GLU 67 HN GLU 67 64.876 -5.917 9.554 496 HA GLU 67 HA GLU 67 64.521 -8.194 7.959 497 HB2 GLU 67 HB2 GLU 67 63.773 -7.482 10.754 498 HB3 GLU 67 HB1 GLU 67 63.492 -9.053 10.006 499 HG2 GLU 67 HG2 GLU 67 65.833 -9.254 9.504 500 HG3 GLU 67 HG1 GLU 67 66.128 -7.689 10.241 501 H GLY 68 HN GLY 68 63.125 -8.371 6.705 502 HA2 GLY 68 HA2 GLY 68 60.558 -8.527 6.551 503 HA3 GLY 68 HA1 GLY 68 60.672 -6.781 6.800 504 H VAL 69 HN VAL 69 63.404 -7.379 5.341 505 HA VAL 69 HA VAL 69 62.365 -6.661 2.744 506 HB VAL 69 HB VAL 69 65.232 -6.826 3.756 507 HG11 VAL 69 HG11 VAL 69 65.158 -7.145 1.349 508 HG12 VAL 69 HG12 VAL 69 65.822 -5.554 1.745 509 HG13 VAL 69 HG13 VAL 69 64.158 -5.704 1.178 510 HG21 VAL 69 HG21 VAL 69 65.154 -4.377 3.748 511 HG22 VAL 69 HG22 VAL 69 63.947 -5.062 4.843 512 HG23 VAL 69 HG23 VAL 69 63.460 -4.439 3.267 513 H LEU 70 HN LEU 70 62.762 -7.857 0.899 514 HA LEU 70 HA LEU 70 63.165 -10.729 1.337 515 HB2 LEU 70 HB2 LEU 70 62.068 -9.210 -1.039 516 HB3 LEU 70 HB1 LEU 70 62.110 -10.953 -0.861 517 HG LEU 70 HG LEU 70 60.501 -9.115 0.915 518 HD11 LEU 70 HD11 LEU 70 58.554 -9.869 -0.340 519 HD12 LEU 70 HD12 LEU 70 59.604 -10.783 -1.426 520 HD13 LEU 70 HD13 LEU 70 59.693 -9.019 -1.388 521 HD21 LEU 70 HD21 LEU 70 61.100 -11.220 1.953 522 HD22 LEU 70 HD22 LEU 70 60.508 -12.101 0.548 523 HD23 LEU 70 HD23 LEU 70 59.379 -11.200 1.566 524 H ALA 71 HN ALA 71 64.016 -7.992 -0.735 525 HA ALA 71 HA ALA 71 66.687 -8.969 -1.079 526 HB1 ALA 71 HB1 ALA 71 65.514 -10.210 -2.821 527 HB2 ALA 71 HB2 ALA 71 66.574 -8.985 -3.524 528 HB3 ALA 71 HB3 ALA 71 64.834 -8.706 -3.438 529 H VAL 72 HN VAL 72 67.993 -7.315 -1.320 530 HA VAL 72 HA VAL 72 66.871 -4.681 -2.002 531 HB VAL 72 HB VAL 72 69.558 -5.334 -0.720 532 HG11 VAL 72 HG11 VAL 72 69.621 -3.276 -1.999 533 HG12 VAL 72 HG12 VAL 72 69.708 -2.925 -0.274 534 HG13 VAL 72 HG13 VAL 72 68.195 -2.679 -1.150 535 HG21 VAL 72 HG21 VAL 72 67.759 -5.826 0.831 536 HG22 VAL 72 HG22 VAL 72 67.065 -4.226 0.558 537 HG23 VAL 72 HG23 VAL 72 68.633 -4.384 1.351 538 H SER 73 HN SER 73 67.067 -4.412 -4.104 539 HA SER 73 HA SER 73 69.270 -5.676 -5.498 540 HB2 SER 73 HB2 SER 73 66.785 -4.310 -6.549 541 HB3 SER 73 HB1 SER 73 67.957 -5.211 -7.516 542 HG SER 73 HG SER 73 65.852 -6.201 -6.237 543 H LEU 74 HN LEU 74 70.984 -4.575 -6.054 544 HA LEU 74 HA LEU 74 71.111 -1.733 -5.595 545 HB2 LEU 74 HB2 LEU 74 72.913 -3.820 -5.391 546 HB3 LEU 74 HB1 LEU 74 73.407 -3.033 -6.874 547 HG LEU 74 HG LEU 74 73.259 -1.799 -4.131 548 HD11 LEU 74 HD11 LEU 74 75.154 -3.253 -4.423 549 HD12 LEU 74 HD12 LEU 74 75.663 -1.562 -4.339 550 HD13 LEU 74 HD13 LEU 74 75.612 -2.393 -5.895 551 HD21 LEU 74 HD21 LEU 74 74.053 -0.500 -6.740 552 HD22 LEU 74 HD22 LEU 74 74.196 0.226 -5.135 553 HD23 LEU 74 HD23 LEU 74 72.607 -0.142 -5.798 554 H VAL 75 HN VAL 75 70.532 -0.367 -7.122 555 HA VAL 75 HA VAL 75 70.233 -1.240 -9.876 556 HB VAL 75 HB VAL 75 69.512 1.340 -8.497 557 HG11 VAL 75 HG11 VAL 75 68.754 0.338 -11.260 558 HG12 VAL 75 HG12 VAL 75 69.824 1.697 -10.914 559 HG13 VAL 75 HG13 VAL 75 68.113 1.794 -10.503 560 HG21 VAL 75 HG21 VAL 75 68.243 -0.537 -7.671 561 HG22 VAL 75 HG22 VAL 75 67.798 -0.994 -9.315 562 HG23 VAL 75 HG23 VAL 75 67.216 0.527 -8.631 563 H TYR 76 HN TYR 76 71.648 1.442 -8.232 564 HA TYR 76 HA TYR 76 73.751 1.670 -10.259 565 HB2 TYR 76 HB2 TYR 76 72.009 3.250 -10.969 566 HB3 TYR 76 HB1 TYR 76 71.949 3.905 -9.331 567 HD1 TYR 76 HD2 TYR 76 74.207 3.544 -12.263 568 HD2 TYR 76 HD1 TYR 76 73.318 5.702 -8.707 569 HE1 TYR 76 HE2 TYR 76 75.930 5.200 -12.834 570 HE2 TYR 76 HE1 TYR 76 75.042 7.360 -9.274 571 HH TYR 76 HH TYR 76 77.110 7.435 -10.629 572 H HIS 77 HN HIS 77 75.655 2.469 -9.403 573 HA HIS 77 HA HIS 77 75.774 3.862 -6.961 574 HB2 HIS 77 HB2 HIS 77 77.201 2.249 -5.737 575 HB3 HIS 77 HB1 HIS 77 75.607 1.565 -6.022 576 HD1 HIS 77 HD1 HIS 77 79.204 0.871 -6.517 577 HD2 HIS 77 HD2 HIS 77 75.593 -0.426 -8.113 578 HE1 HIS 77 HE1 HIS 77 79.680 -1.316 -7.636 579 H GLN 78 HN GLN 78 78.412 3.687 -6.468 580 HA GLN 78 HA GLN 78 79.621 4.142 -9.081 581 HB2 GLN 78 HB2 GLN 78 80.206 5.539 -6.454 582 HB3 GLN 78 HB1 GLN 78 81.110 5.753 -7.950 583 HG2 GLN 78 HG2 GLN 78 78.174 6.343 -7.714 584 HG3 GLN 78 HG1 GLN 78 79.433 7.548 -7.452 585 HE21 GLN 78 HE21 GLN 78 78.667 8.771 -9.173 586 HE22 GLN 78 HE22 GLN 78 78.951 8.341 -10.811 587 H GLN 79 HN GLN 79 81.664 3.317 -9.396 588 HA GLN 79 HA GLN 79 82.346 1.055 -7.668 589 HB2 GLN 79 HB2 GLN 79 83.358 1.858 -10.401 590 HB3 GLN 79 HB1 GLN 79 83.767 0.374 -9.555 591 HG2 GLN 79 HG2 GLN 79 81.441 -0.345 -9.667 592 HG3 GLN 79 HG1 GLN 79 81.018 1.155 -10.489 593 HE21 GLN 79 HE21 GLN 79 83.986 -0.582 -11.129 594 HE22 GLN 79 HE22 GLN 79 83.564 -1.114 -12.710 595 H GLU 80 HN GLU 80 82.918 3.378 -6.468 596 HA GLU 80 HA GLU 80 85.557 4.308 -7.156 597 HB2 GLU 80 HB2 GLU 80 83.943 5.101 -4.746 598 HB3 GLU 80 HB1 GLU 80 85.266 5.979 -5.490 599 HG2 GLU 80 HG2 GLU 80 82.557 5.491 -6.664 600 HG3 GLU 80 HG1 GLU 80 83.111 7.001 -5.957 601 H GLU 81 HN GLU 81 84.536 1.659 -5.489 602 HA GLU 81 HA GLU 81 86.340 1.780 -3.260 603 HB2 GLU 81 HB2 GLU 81 84.403 0.267 -3.109 604 HB3 GLU 81 HB1 GLU 81 84.963 -0.622 -4.519 605 HG2 GLU 81 HG2 GLU 81 86.923 -1.387 -3.290 606 HG3 GLU 81 HG1 GLU 81 86.423 -0.457 -1.885 607 H GLN 82 HN GLN 82 86.306 0.148 -6.334 608 HA GLN 82 HA GLN 82 87.863 -0.382 -7.851 609 HB2 GLN 82 HB2 GLN 82 88.771 1.904 -7.381 610 HB3 GLN 82 HB1 GLN 82 89.807 1.213 -6.151 611 HG2 GLN 82 HG2 GLN 82 91.126 1.597 -8.092 612 HG3 GLN 82 HG1 GLN 82 90.901 -0.139 -7.921 613 HE21 GLN 82 HE21 GLN 82 91.578 1.458 -10.234 614 HE22 GLN 82 HE22 GLN 82 90.401 1.098 -11.439 615 H GLY 83 HN GLY 83 89.754 -1.798 -8.183 616 HA2 GLY 83 HA2 GLY 83 91.422 -3.220 -7.283 617 HA3 GLY 83 HA1 GLY 83 90.490 -3.280 -5.787 618 H GLU 84 HN GLU 84 90.842 -5.586 -6.129 619 HA GLU 84 HA GLU 84 88.858 -6.725 -7.972 620 HB2 GLU 84 HB2 GLU 84 91.499 -7.882 -7.073 621 HB3 GLU 84 HB1 GLU 84 90.340 -8.694 -8.115 622 HG2 GLU 84 HG2 GLU 84 90.648 -7.026 -9.827 623 HG3 GLU 84 HG1 GLU 84 91.711 -6.099 -8.786 624 H GLU 85 HN GLU 85 87.832 -8.677 -7.177 625 HA GLU 85 HA GLU 85 87.634 -8.572 -4.296 626 HB2 GLU 85 HB2 GLU 85 85.865 -9.976 -6.303 627 HB3 GLU 85 HB1 GLU 85 85.639 -10.019 -4.559 628 HG2 GLU 85 HG2 GLU 85 85.500 -7.505 -4.639 629 HG3 GLU 85 HG1 GLU 85 85.420 -7.657 -6.389 630 H THR 86 HN THR 86 89.433 -9.545 -3.636 631 HA THR 86 HA THR 86 90.251 -12.068 -4.687 632 HB THR 86 HB THR 86 92.060 -11.631 -2.883 633 HG1 THR 86 HG1 THR 86 92.125 -9.216 -2.582 634 HG21 THR 86 HG21 THR 86 92.432 -11.340 -5.301 635 HG22 THR 86 HG22 THR 86 93.234 -10.069 -4.382 636 HG23 THR 86 HG23 THR 86 91.719 -9.731 -5.218 637 HA PRO 87 HA PRO 87 88.152 -13.930 -1.162 638 HB2 PRO 87 HB2 PRO 87 87.418 -16.148 -2.330 639 HB3 PRO 87 HB1 PRO 87 86.788 -14.586 -2.915 640 HG2 PRO 87 HG2 PRO 87 88.916 -16.317 -4.112 641 HG3 PRO 87 HG1 PRO 87 87.636 -15.407 -4.920 642 HD2 PRO 87 HD2 PRO 87 90.287 -14.553 -4.486 643 HD3 PRO 87 HD1 PRO 87 88.925 -13.555 -5.047 644 H ARG 88 HN ARG 88 88.309 -16.526 -0.607 645 HA ARG 88 HA ARG 88 91.164 -17.096 -0.306 646 HB2 ARG 88 HB2 ARG 88 88.778 -17.783 1.378 647 HB3 ARG 88 HB1 ARG 88 90.340 -18.558 1.588 648 HG2 ARG 88 HG2 ARG 88 91.361 -16.552 2.240 649 HG3 ARG 88 HG1 ARG 88 89.983 -15.593 1.677 650 HD2 ARG 88 HD2 ARG 88 89.740 -17.640 3.852 651 HD3 ARG 88 HD1 ARG 88 90.172 -15.968 4.202 652 HE ARG 88 HE ARG 88 88.045 -15.456 2.911 653 HH11 ARG 88 HH11 ARG 88 88.413 -18.345 4.954 654 HH12 ARG 88 HH12 ARG 88 86.770 -18.422 5.377 655 HH21 ARG 88 HH21 ARG 88 85.778 -15.575 3.502 656 HH22 ARG 88 HH22 ARG 88 85.253 -16.816 4.542 657 H SER 89 HN SER 89 91.376 -18.158 -2.296 658 HA SER 89 HA SER 89 89.686 -20.442 -2.753 659 HB2 SER 89 HB2 SER 89 91.946 -19.339 -4.411 660 HB3 SER 89 HB1 SER 89 90.799 -20.581 -4.914 661 HG SER 89 HG SER 89 90.568 -17.991 -5.088 662 H HIS 90 HN HIS 90 92.542 -19.896 -1.087 663 HA HIS 90 HA HIS 90 92.889 -22.739 -0.767 664 HB2 HIS 90 HB2 HIS 90 94.393 -22.199 -2.694 665 HB3 HIS 90 HB1 HIS 90 95.247 -21.053 -1.666 666 HD1 HIS 90 HD1 HIS 90 97.329 -22.031 -0.583 667 HD2 HIS 90 HD2 HIS 90 94.506 -24.934 -1.553 668 HE1 HIS 90 HE1 HIS 90 98.346 -24.233 0.057 669 H HIS 91 HN HIS 91 92.785 -22.906 1.339 670 HA HIS 91 HA HIS 91 93.754 -20.746 3.004 671 HB2 HIS 91 HB2 HIS 91 92.275 -23.286 3.700 672 HB3 HIS 91 HB1 HIS 91 92.842 -22.132 4.905 673 HD1 HIS 91 HD1 HIS 91 90.147 -22.704 2.410 674 HD2 HIS 91 HD2 HIS 91 91.470 -19.678 4.922 675 HE1 HIS 91 HE1 HIS 91 88.277 -21.007 2.507 676 H HIS 92 HN HIS 92 95.884 -20.920 2.535 677 HA HIS 92 HA HIS 92 97.347 -23.291 3.264 678 HB2 HIS 92 HB2 HIS 92 98.136 -21.895 1.404 679 HB3 HIS 92 HB1 HIS 92 98.315 -20.522 2.485 680 HD1 HIS 92 HD1 HIS 92 100.702 -20.178 3.198 681 HD2 HIS 92 HD2 HIS 92 99.852 -24.151 2.371 682 HE1 HIS 92 HE1 HIS 92 102.837 -21.442 3.582 683 H HIS 93 HN HIS 93 96.500 -20.246 4.682 684 HA HIS 93 HA HIS 93 98.194 -20.837 6.989 685 HB2 HIS 93 HB2 HIS 93 96.972 -18.198 6.117 686 HB3 HIS 93 HB1 HIS 93 97.945 -18.424 7.565 687 HD1 HIS 93 HD1 HIS 93 100.488 -18.256 7.260 688 HD2 HIS 93 HD2 HIS 93 98.432 -18.583 3.661 689 HE1 HIS 93 HE1 HIS 93 102.196 -17.946 5.443 690 H HIS 94 HN HIS 94 97.107 -22.033 8.295 691 HA HIS 94 HA HIS 94 95.695 -22.728 9.851 692 HB2 HIS 94 HB2 HIS 94 95.445 -20.367 10.608 693 HB3 HIS 94 HB1 HIS 94 94.119 -20.153 9.467 694 HD1 HIS 94 HD1 HIS 94 91.779 -20.884 10.273 695 HD2 HIS 94 HD2 HIS 94 94.872 -22.168 12.738 696 HE1 HIS 94 HE1 HIS 94 90.685 -21.855 12.323 697 H HIS 95 HN HIS 95 94.656 -24.442 9.318 698 HA HIS 95 HA HIS 95 92.294 -24.237 7.643 699 HB2 HIS 95 HB2 HIS 95 94.183 -24.947 6.190 700 HB3 HIS 95 HB1 HIS 95 94.509 -26.291 7.274 701 HD1 HIS 95 HD1 HIS 95 93.260 -28.443 6.763 702 HD2 HIS 95 HD2 HIS 95 91.658 -25.137 4.820 703 HE1 HIS 95 HE1 HIS 95 91.519 -29.346 5.170 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 86.320 11.542 -0.539 2 H2 MET 1 HT2 MET 1 86.883 12.092 -2.048 3 H3 MET 1 HT3 MET 1 85.239 11.804 -1.794 4 HA MET 1 HA MET 1 84.893 13.566 -0.475 5 HB2 MET 1 HB2 MET 1 87.032 13.487 0.798 6 HB3 MET 1 HB1 MET 1 87.868 14.135 -0.603 7 HG2 MET 1 HG2 MET 1 87.420 15.869 1.063 8 HG3 MET 1 HG1 MET 1 86.610 16.187 -0.466 9 HE1 MET 1 HE1 MET 1 86.132 14.895 3.238 10 HE2 MET 1 HE2 MET 1 85.470 13.558 2.287 11 HE3 MET 1 HE3 MET 1 84.403 14.553 3.268 12 H HIS 2 HN HIS 2 83.705 14.380 -2.088 13 HA HIS 2 HA HIS 2 85.154 15.780 -4.237 14 HB2 HIS 2 HB2 HIS 2 82.783 13.932 -4.570 15 HB3 HIS 2 HB1 HIS 2 83.485 14.895 -5.858 16 HD1 HIS 2 HD1 HIS 2 83.701 11.594 -4.318 17 HD2 HIS 2 HD2 HIS 2 86.243 14.113 -6.418 18 HE1 HIS 2 HE1 HIS 2 85.600 10.168 -5.094 19 H THR 3 HN THR 3 83.464 17.133 -5.545 20 HA THR 3 HA THR 3 81.840 18.598 -3.669 21 HB THR 3 HB THR 3 81.395 20.034 -5.709 22 HG1 THR 3 HG1 THR 3 82.024 19.313 -7.591 23 HG21 THR 3 HG21 THR 3 83.650 20.987 -5.801 24 HG22 THR 3 HG22 THR 3 84.305 19.520 -5.075 25 HG23 THR 3 HG23 THR 3 83.229 20.557 -4.141 26 H ASN 4 HN ASN 4 81.625 16.062 -5.818 27 HA ASN 4 HA ASN 4 78.690 16.120 -5.786 28 HB2 ASN 4 HB2 ASN 4 80.517 15.009 -7.940 29 HB3 ASN 4 HB1 ASN 4 78.778 14.795 -7.910 30 HD21 ASN 4 HD21 ASN 4 78.323 17.626 -7.011 31 HD22 ASN 4 HD22 ASN 4 78.624 18.562 -8.414 32 H TRP 5 HN TRP 5 78.263 14.816 -4.182 33 HA TRP 5 HA TRP 5 79.791 12.488 -3.527 34 HB2 TRP 5 HB2 TRP 5 77.933 12.025 -1.920 35 HB3 TRP 5 HB1 TRP 5 78.707 13.581 -1.710 36 HD1 TRP 5 HD1 TRP 5 76.436 14.371 -4.408 37 HE1 TRP 5 HE1 TRP 5 74.205 15.286 -3.546 38 HE3 TRP 5 HE3 TRP 5 76.758 12.811 0.424 39 HZ2 TRP 5 HZ2 TRP 5 72.763 15.339 -1.101 40 HZ3 TRP 5 HZ3 TRP 5 74.974 13.305 1.965 41 HH2 TRP 5 HH2 TRP 5 72.971 14.569 1.228 42 H GLN 6 HN GLN 6 79.228 10.406 -3.563 43 HA GLN 6 HA GLN 6 77.952 9.736 -6.046 44 HB2 GLN 6 HB2 GLN 6 78.790 7.385 -5.429 45 HB3 GLN 6 HB1 GLN 6 79.995 8.613 -5.799 46 HG2 GLN 6 HG2 GLN 6 80.472 8.938 -3.502 47 HG3 GLN 6 HG1 GLN 6 79.182 7.879 -2.986 48 HE21 GLN 6 HE21 GLN 6 81.415 7.284 -5.690 49 HE22 GLN 6 HE22 GLN 6 82.218 5.963 -4.980 50 H VAL 7 HN VAL 7 76.062 8.773 -6.286 51 HA VAL 7 HA VAL 7 74.575 8.125 -3.846 52 HB VAL 7 HB VAL 7 72.542 8.983 -4.892 53 HG11 VAL 7 HG11 VAL 7 73.005 11.360 -4.820 54 HG12 VAL 7 HG12 VAL 7 74.712 11.051 -5.112 55 HG13 VAL 7 HG13 VAL 7 73.990 10.529 -3.601 56 HG21 VAL 7 HG21 VAL 7 74.294 9.810 -7.219 57 HG22 VAL 7 HG22 VAL 7 72.591 10.215 -7.020 58 HG23 VAL 7 HG23 VAL 7 73.074 8.535 -7.246 59 H CYS 8 HN CYS 8 72.948 6.535 -4.138 60 HA CYS 8 HA CYS 8 73.025 4.947 -6.557 61 HB2 CYS 8 HB2 CYS 8 73.372 2.863 -5.213 62 HB3 CYS 8 HB1 CYS 8 74.777 3.921 -5.225 63 HG CYS 8 HG CYS 8 73.871 5.051 -2.679 64 H SER 9 HN SER 9 71.083 3.715 -6.765 65 HA SER 9 HA SER 9 69.073 4.439 -4.767 66 HB2 SER 9 HB2 SER 9 68.518 3.288 -7.493 67 HB3 SER 9 HB1 SER 9 67.430 4.171 -6.445 68 HG SER 9 HG SER 9 68.086 5.969 -7.281 69 H LEU 10 HN LEU 10 67.786 2.761 -3.972 70 HA LEU 10 HA LEU 10 68.788 0.048 -4.459 71 HB2 LEU 10 HB2 LEU 10 67.838 1.282 -1.900 72 HB3 LEU 10 HB1 LEU 10 68.252 -0.399 -2.085 73 HG LEU 10 HG LEU 10 70.146 1.934 -2.323 74 HD11 LEU 10 HD11 LEU 10 71.115 1.044 -0.243 75 HD12 LEU 10 HD12 LEU 10 69.861 -0.192 -0.197 76 HD13 LEU 10 HD13 LEU 10 69.426 1.509 -0.023 77 HD21 LEU 10 HD21 LEU 10 70.656 -1.032 -2.503 78 HD22 LEU 10 HD22 LEU 10 71.907 0.200 -2.337 79 HD23 LEU 10 HD23 LEU 10 70.882 0.184 -3.771 80 H VAL 11 HN VAL 11 67.248 -1.274 -5.104 81 HA VAL 11 HA VAL 11 64.456 -0.471 -4.750 82 HB VAL 11 HB VAL 11 65.544 -2.794 -6.397 83 HG11 VAL 11 HG11 VAL 11 63.308 -2.907 -7.380 84 HG12 VAL 11 HG12 VAL 11 62.771 -1.620 -6.301 85 HG13 VAL 11 HG13 VAL 11 63.254 -3.181 -5.637 86 HG21 VAL 11 HG21 VAL 11 66.213 -0.635 -7.335 87 HG22 VAL 11 HG22 VAL 11 64.531 -0.106 -7.300 88 HG23 VAL 11 HG23 VAL 11 65.016 -1.426 -8.364 89 H VAL 12 HN VAL 12 63.827 -0.988 -2.844 90 HA VAL 12 HA VAL 12 64.756 -3.377 -1.514 91 HB VAL 12 HB VAL 12 62.923 -1.159 -0.561 92 HG11 VAL 12 HG11 VAL 12 64.304 -3.306 1.027 93 HG12 VAL 12 HG12 VAL 12 62.588 -3.284 0.636 94 HG13 VAL 12 HG13 VAL 12 63.269 -2.036 1.681 95 HG21 VAL 12 HG21 VAL 12 65.167 -0.331 -1.001 96 HG22 VAL 12 HG22 VAL 12 65.851 -1.619 -0.013 97 HG23 VAL 12 HG23 VAL 12 64.851 -0.376 0.734 98 H GLN 13 HN GLN 13 63.767 -5.112 -2.209 99 HA GLN 13 HA GLN 13 60.919 -5.158 -2.769 100 HB2 GLN 13 HB2 GLN 13 63.059 -7.298 -2.841 101 HB3 GLN 13 HB1 GLN 13 61.399 -7.504 -3.407 102 HG2 GLN 13 HG2 GLN 13 61.710 -5.998 -5.167 103 HG3 GLN 13 HG1 GLN 13 63.234 -5.407 -4.506 104 HE21 GLN 13 HE21 GLN 13 62.381 -8.806 -4.683 105 HE22 GLN 13 HE22 GLN 13 63.535 -9.203 -5.889 106 H ALA 14 HN ALA 14 59.581 -5.459 -1.087 107 HA ALA 14 HA ALA 14 60.498 -7.050 1.169 108 HB1 ALA 14 HB1 ALA 14 59.518 -4.218 1.329 109 HB2 ALA 14 HB2 ALA 14 61.158 -4.787 1.671 110 HB3 ALA 14 HB3 ALA 14 59.803 -5.293 2.690 111 H LYS 15 HN LYS 15 58.661 -7.205 2.784 112 HA LYS 15 HA LYS 15 56.312 -8.121 1.486 113 HB2 LYS 15 HB2 LYS 15 57.127 -7.840 4.322 114 HB3 LYS 15 HB1 LYS 15 55.445 -8.118 4.041 115 HG2 LYS 15 HG2 LYS 15 56.258 -10.281 4.345 116 HG3 LYS 15 HG1 LYS 15 56.339 -10.147 2.596 117 HD2 LYS 15 HD2 LYS 15 58.389 -11.088 3.227 118 HD3 LYS 15 HD1 LYS 15 58.755 -9.382 2.957 119 HE2 LYS 15 HE2 LYS 15 59.834 -10.132 4.994 120 HE3 LYS 15 HE1 LYS 15 58.562 -8.985 5.395 121 HZ1 LYS 15 HZ1 LYS 15 57.116 -10.874 6.001 122 HZ2 LYS 15 HZ2 LYS 15 58.532 -10.902 6.881 123 HZ3 LYS 15 HZ3 LYS 15 58.348 -11.943 5.588 124 H SER 16 HN SER 16 54.549 -7.118 0.917 125 HA SER 16 HA SER 16 54.221 -4.387 0.904 126 HB2 SER 16 HB2 SER 16 51.856 -5.009 0.287 127 HB3 SER 16 HB1 SER 16 53.120 -5.778 -0.681 128 HG SER 16 HG SER 16 51.386 -6.865 1.224 129 H GLU 17 HN GLU 17 53.172 -6.779 3.173 130 HA GLU 17 HA GLU 17 51.202 -5.230 4.562 131 HB2 GLU 17 HB2 GLU 17 52.616 -7.625 5.678 132 HB3 GLU 17 HB1 GLU 17 50.958 -7.110 5.919 133 HG2 GLU 17 HG2 GLU 17 52.102 -8.271 3.388 134 HG3 GLU 17 HG1 GLU 17 51.124 -9.128 4.562 135 H ARG 18 HN ARG 18 54.590 -5.261 4.570 136 HA ARG 18 HA ARG 18 54.745 -4.373 7.358 137 HB2 ARG 18 HB2 ARG 18 55.539 -6.711 6.708 138 HB3 ARG 18 HB1 ARG 18 56.850 -5.914 5.864 139 HG2 ARG 18 HG2 ARG 18 57.624 -4.962 7.934 140 HG3 ARG 18 HG1 ARG 18 56.213 -5.645 8.772 141 HD2 ARG 18 HD2 ARG 18 56.974 -7.905 8.040 142 HD3 ARG 18 HD1 ARG 18 58.452 -7.162 7.447 143 HE ARG 18 HE ARG 18 58.832 -6.466 9.806 144 HH11 ARG 18 HH11 ARG 18 56.654 -9.222 9.173 145 HH12 ARG 18 HH12 ARG 18 57.120 -10.060 10.568 146 HH21 ARG 18 HH21 ARG 18 59.483 -7.753 11.761 147 HH22 ARG 18 HH22 ARG 18 58.694 -9.236 12.022 148 H ILE 19 HN ILE 19 54.560 -3.074 4.600 149 HA ILE 19 HA ILE 19 57.035 -1.954 3.882 150 HB ILE 19 HB ILE 19 54.206 -1.090 3.331 151 HG12 ILE 19 HG12 ILE 19 54.957 -3.096 2.218 152 HG13 ILE 19 HG11 ILE 19 54.684 -1.816 1.039 153 HG21 ILE 19 HG21 ILE 19 55.050 0.527 1.660 154 HG22 ILE 19 HG22 ILE 19 56.679 0.282 2.312 155 HG23 ILE 19 HG23 ILE 19 55.422 0.971 3.330 156 HD11 ILE 19 HD11 ILE 19 57.135 -1.451 0.958 157 HD12 ILE 19 HD12 ILE 19 56.671 -3.078 0.475 158 HD13 ILE 19 HD13 ILE 19 57.352 -2.802 2.074 159 H SER 20 HN SER 20 54.532 -0.805 6.034 160 HA SER 20 HA SER 20 55.448 1.763 6.508 161 HB2 SER 20 HB2 SER 20 54.122 -0.066 8.503 162 HB3 SER 20 HB1 SER 20 54.034 1.694 8.429 163 HG SER 20 HG SER 20 52.539 1.560 6.960 164 H ASP 21 HN ASP 21 56.218 -1.279 8.171 165 HA ASP 21 HA ASP 21 57.853 -0.289 10.240 166 HB2 ASP 21 HB2 ASP 21 58.111 -2.955 8.830 167 HB3 ASP 21 HB1 ASP 21 58.612 -2.564 10.468 168 H ILE 22 HN ILE 22 58.564 -1.642 7.112 169 HA ILE 22 HA ILE 22 61.382 -1.409 7.229 170 HB ILE 22 HB ILE 22 59.464 -1.792 4.917 171 HG12 ILE 22 HG12 ILE 22 61.112 -3.759 6.497 172 HG13 ILE 22 HG11 ILE 22 59.396 -3.461 6.721 173 HG21 ILE 22 HG21 ILE 22 61.658 -0.960 4.107 174 HG22 ILE 22 HG22 ILE 22 61.328 -2.610 3.601 175 HG23 ILE 22 HG23 ILE 22 62.461 -2.314 4.905 176 HD11 ILE 22 HD11 ILE 22 59.738 -5.459 5.452 177 HD12 ILE 22 HD12 ILE 22 60.749 -4.579 4.314 178 HD13 ILE 22 HD13 ILE 22 59.019 -4.217 4.420 179 H SER 23 HN SER 23 58.912 0.648 5.703 180 HA SER 23 HA SER 23 60.696 2.446 4.500 181 HB2 SER 23 HB2 SER 23 58.272 2.228 3.935 182 HB3 SER 23 HB1 SER 23 57.871 2.970 5.476 183 HG SER 23 HG SER 23 58.076 4.245 3.376 184 H THR 24 HN THR 24 59.509 2.219 7.788 185 HA THR 24 HA THR 24 60.246 4.902 8.504 186 HB THR 24 HB THR 24 59.623 2.511 10.279 187 HG1 THR 24 HG1 THR 24 57.869 3.059 8.941 188 HG21 THR 24 HG21 THR 24 59.625 5.482 10.888 189 HG22 THR 24 HG22 THR 24 60.796 4.304 11.489 190 HG23 THR 24 HG23 THR 24 59.112 4.210 11.996 191 H GLN 25 HN GLN 25 61.528 1.670 8.746 192 HA GLN 25 HA GLN 25 63.853 2.229 10.137 193 HB2 GLN 25 HB2 GLN 25 62.655 0.020 8.631 194 HB3 GLN 25 HB1 GLN 25 64.370 -0.031 8.627 195 HG2 GLN 25 HG2 GLN 25 64.377 -0.037 11.084 196 HG3 GLN 25 HG1 GLN 25 62.631 0.183 11.086 197 HE21 GLN 25 HE21 GLN 25 61.331 -1.525 10.644 198 HE22 GLN 25 HE22 GLN 25 61.875 -3.170 10.622 199 H LEU 26 HN LEU 26 63.216 2.073 6.582 200 HA LEU 26 HA LEU 26 65.830 2.461 5.781 201 HB2 LEU 26 HB2 LEU 26 63.265 3.141 4.302 202 HB3 LEU 26 HB1 LEU 26 64.863 3.016 3.665 203 HG LEU 26 HG LEU 26 63.486 0.683 4.955 204 HD11 LEU 26 HD11 LEU 26 63.603 1.441 2.047 205 HD12 LEU 26 HD12 LEU 26 62.169 1.349 3.062 206 HD13 LEU 26 HD13 LEU 26 63.075 -0.115 2.676 207 HD21 LEU 26 HD21 LEU 26 65.173 -0.611 3.730 208 HD22 LEU 26 HD22 LEU 26 65.909 0.503 4.879 209 HD23 LEU 26 HD23 LEU 26 65.908 0.888 3.160 210 H ASN 27 HN ASN 27 63.221 4.774 6.382 211 HA ASN 27 HA ASN 27 64.758 7.036 5.533 212 HB2 ASN 27 HB2 ASN 27 62.143 6.751 6.967 213 HB3 ASN 27 HB1 ASN 27 62.907 8.331 6.795 214 HD21 ASN 27 HD21 ASN 27 60.392 7.252 5.738 215 HD22 ASN 27 HD22 ASN 27 60.477 7.482 4.028 216 H ALA 28 HN ALA 28 64.917 5.178 8.295 217 HA ALA 28 HA ALA 28 65.566 7.337 10.101 218 HB1 ALA 28 HB1 ALA 28 65.902 5.591 11.766 219 HB2 ALA 28 HB2 ALA 28 65.757 4.357 10.516 220 HB3 ALA 28 HB3 ALA 28 64.365 5.358 10.930 221 H PHE 29 HN PHE 29 67.250 5.496 7.753 222 HA PHE 29 HA PHE 29 69.705 5.429 9.107 223 HB2 PHE 29 HB2 PHE 29 68.729 4.954 6.384 224 HB3 PHE 29 HB1 PHE 29 70.424 4.779 6.688 225 HD1 PHE 29 HD2 PHE 29 70.455 3.361 9.255 226 HD2 PHE 29 HD1 PHE 29 67.816 2.952 5.960 227 HE1 PHE 29 HE2 PHE 29 69.940 1.074 9.964 228 HE2 PHE 29 HE1 PHE 29 67.290 0.655 6.658 229 HZ PHE 29 HZ PHE 29 68.347 -0.287 8.657 230 HA PRO 30 HA PRO 30 70.837 9.519 7.838 231 HB2 PRO 30 HB2 PRO 30 73.521 9.367 8.410 232 HB3 PRO 30 HB1 PRO 30 72.261 9.625 9.614 233 HG2 PRO 30 HG2 PRO 30 73.905 7.263 9.163 234 HG3 PRO 30 HG1 PRO 30 72.857 7.644 10.534 235 HD2 PRO 30 HD2 PRO 30 72.315 5.866 8.288 236 HD3 PRO 30 HD1 PRO 30 71.350 6.145 9.734 237 H GLY 31 HN GLY 31 70.583 9.617 5.669 238 HA2 GLY 31 HA2 GLY 31 71.912 10.276 3.728 239 HA3 GLY 31 HA1 GLY 31 72.931 8.880 4.045 240 H CYS 32 HN CYS 32 69.969 7.782 4.725 241 HA CYS 32 HA CYS 32 69.476 6.849 1.998 242 HB2 CYS 32 HB2 CYS 32 68.845 5.695 4.682 243 HB3 CYS 32 HB1 CYS 32 68.461 4.912 3.173 244 HG CYS 32 HG CYS 32 71.574 5.547 2.995 245 H GLU 33 HN GLU 33 67.498 7.407 1.180 246 HA GLU 33 HA GLU 33 65.338 8.020 3.047 247 HB2 GLU 33 HB2 GLU 33 66.431 10.177 2.416 248 HB3 GLU 33 HB1 GLU 33 66.088 9.815 0.730 249 HG2 GLU 33 HG2 GLU 33 63.677 9.817 1.249 250 HG3 GLU 33 HG1 GLU 33 64.059 10.249 2.910 251 H VAL 34 HN VAL 34 63.389 7.379 2.310 252 HA VAL 34 HA VAL 34 63.285 5.719 -0.017 253 HB VAL 34 HB VAL 34 60.990 6.728 1.707 254 HG11 VAL 34 HG11 VAL 34 60.204 5.941 -0.451 255 HG12 VAL 34 HG12 VAL 34 59.751 4.792 0.811 256 HG13 VAL 34 HG13 VAL 34 61.107 4.442 -0.261 257 HG21 VAL 34 HG21 VAL 34 61.104 4.547 2.822 258 HG22 VAL 34 HG22 VAL 34 62.597 5.470 3.019 259 HG23 VAL 34 HG23 VAL 34 62.529 4.136 1.863 260 H ALA 35 HN ALA 35 63.081 6.421 -1.959 261 HA ALA 35 HA ALA 35 62.260 9.157 -2.525 262 HB1 ALA 35 HB1 ALA 35 63.153 8.720 -4.768 263 HB2 ALA 35 HB2 ALA 35 63.437 7.036 -4.327 264 HB3 ALA 35 HB3 ALA 35 64.343 8.318 -3.528 265 H VAL 36 HN VAL 36 61.377 5.827 -3.237 266 HA VAL 36 HA VAL 36 58.745 6.779 -4.097 267 HB VAL 36 HB VAL 36 60.169 4.438 -5.408 268 HG11 VAL 36 HG11 VAL 36 57.580 5.798 -6.117 269 HG12 VAL 36 HG12 VAL 36 57.771 4.203 -5.392 270 HG13 VAL 36 HG13 VAL 36 58.341 4.497 -7.034 271 HG21 VAL 36 HG21 VAL 36 59.718 7.197 -6.543 272 HG22 VAL 36 HG22 VAL 36 60.355 5.814 -7.436 273 HG23 VAL 36 HG23 VAL 36 61.278 6.504 -6.099 274 H SER 37 HN SER 37 57.222 5.831 -2.931 275 HA SER 37 HA SER 37 57.855 3.308 -1.634 276 HB2 SER 37 HB2 SER 37 56.125 4.103 0.092 277 HB3 SER 37 HB1 SER 37 57.695 4.903 0.103 278 HG SER 37 HG SER 37 56.762 6.617 -1.075 279 H ASP 38 HN ASP 38 56.890 1.751 -2.809 280 HA ASP 38 HA ASP 38 54.155 2.277 -3.725 281 HB2 ASP 38 HB2 ASP 38 55.885 2.129 -5.566 282 HB3 ASP 38 HB1 ASP 38 56.171 0.473 -5.016 283 H ALA 39 HN ALA 39 53.134 1.367 -2.049 284 HA ALA 39 HA ALA 39 53.790 -1.095 -0.864 285 HB1 ALA 39 HB1 ALA 39 51.090 0.260 -0.885 286 HB2 ALA 39 HB2 ALA 39 52.388 0.581 0.264 287 HB3 ALA 39 HB3 ALA 39 51.616 -1.006 0.224 288 HA PRO 40 HA PRO 40 50.213 -2.834 -4.037 289 HB2 PRO 40 HB2 PRO 40 51.005 -1.801 -6.535 290 HB3 PRO 40 HB1 PRO 40 49.562 -1.335 -5.632 291 HG2 PRO 40 HG2 PRO 40 52.304 -0.179 -5.549 292 HG3 PRO 40 HG1 PRO 40 50.867 0.775 -5.765 293 HD2 PRO 40 HD2 PRO 40 51.851 0.753 -3.437 294 HD3 PRO 40 HD1 PRO 40 50.166 0.164 -3.485 295 H SER 41 HN SER 41 53.550 -2.016 -5.217 296 HA SER 41 HA SER 41 53.767 -4.808 -6.001 297 HB2 SER 41 HB2 SER 41 55.951 -4.177 -7.034 298 HB3 SER 41 HB1 SER 41 54.598 -3.242 -7.656 299 HG SER 41 HG SER 41 55.209 -1.573 -6.200 300 H GLY 42 HN GLY 42 54.607 -2.868 -3.353 301 HA2 GLY 42 HA2 GLY 42 55.539 -3.531 -1.350 302 HA3 GLY 42 HA1 GLY 42 55.864 -5.117 -2.054 303 H GLN 43 HN GLN 43 56.832 -2.207 -3.626 304 HA GLN 43 HA GLN 43 59.632 -2.856 -3.068 305 HB2 GLN 43 HB2 GLN 43 58.339 -1.829 -5.589 306 HB3 GLN 43 HB1 GLN 43 60.076 -2.008 -5.344 307 HG2 GLN 43 HG2 GLN 43 59.925 -4.352 -5.256 308 HG3 GLN 43 HG1 GLN 43 58.175 -4.303 -5.056 309 HE21 GLN 43 HE21 GLN 43 59.796 -2.263 -7.363 310 HE22 GLN 43 HE22 GLN 43 59.234 -3.108 -8.752 311 H LEU 44 HN LEU 44 60.778 -1.297 -2.286 312 HA LEU 44 HA LEU 44 59.727 1.452 -2.379 313 HB2 LEU 44 HB2 LEU 44 61.465 0.214 -0.233 314 HB3 LEU 44 HB1 LEU 44 60.814 1.842 -0.246 315 HG LEU 44 HG LEU 44 59.166 -0.677 -0.028 316 HD11 LEU 44 HD11 LEU 44 60.509 -0.304 1.951 317 HD12 LEU 44 HD12 LEU 44 58.805 0.005 2.280 318 HD13 LEU 44 HD13 LEU 44 59.922 1.356 2.059 319 HD21 LEU 44 HD21 LEU 44 58.402 2.227 0.207 320 HD22 LEU 44 HD22 LEU 44 57.336 0.853 0.506 321 HD23 LEU 44 HD23 LEU 44 57.966 1.140 -1.112 322 H ILE 45 HN ILE 45 61.033 2.877 -3.278 323 HA ILE 45 HA ILE 45 63.706 1.983 -4.085 324 HB ILE 45 HB ILE 45 62.156 4.457 -4.922 325 HG12 ILE 45 HG12 ILE 45 61.114 2.368 -5.776 326 HG13 ILE 45 HG11 ILE 45 61.777 3.352 -7.082 327 HG21 ILE 45 HG21 ILE 45 64.736 3.351 -6.023 328 HG22 ILE 45 HG22 ILE 45 64.552 4.826 -5.074 329 HG23 ILE 45 HG23 ILE 45 63.842 4.717 -6.688 330 HD11 ILE 45 HD11 ILE 45 63.713 1.848 -7.146 331 HD12 ILE 45 HD12 ILE 45 62.187 1.011 -7.443 332 HD13 ILE 45 HD13 ILE 45 62.981 0.876 -5.871 333 H VAL 46 HN VAL 46 65.285 2.560 -2.825 334 HA VAL 46 HA VAL 46 64.991 4.937 -1.120 335 HB VAL 46 HB VAL 46 66.696 2.438 -0.710 336 HG11 VAL 46 HG11 VAL 46 66.469 4.872 1.075 337 HG12 VAL 46 HG12 VAL 46 67.877 4.438 0.110 338 HG13 VAL 46 HG13 VAL 46 67.367 3.398 1.443 339 HG21 VAL 46 HG21 VAL 46 64.327 2.120 -0.191 340 HG22 VAL 46 HG22 VAL 46 64.382 3.505 0.913 341 HG23 VAL 46 HG23 VAL 46 65.329 2.074 1.254 342 H VAL 47 HN VAL 47 66.518 6.497 -1.325 343 HA VAL 47 HA VAL 47 68.628 5.913 -3.242 344 HB VAL 47 HB VAL 47 67.060 7.697 -3.964 345 HG11 VAL 47 HG11 VAL 47 66.366 8.614 -1.853 346 HG12 VAL 47 HG12 VAL 47 67.019 9.891 -2.878 347 HG13 VAL 47 HG13 VAL 47 67.991 9.238 -1.561 348 HG21 VAL 47 HG21 VAL 47 69.844 8.695 -3.383 349 HG22 VAL 47 HG22 VAL 47 68.726 9.406 -4.554 350 HG23 VAL 47 HG23 VAL 47 69.323 7.766 -4.791 351 H VAL 48 HN VAL 48 70.701 6.176 -2.551 352 HA VAL 48 HA VAL 48 71.053 7.030 0.233 353 HB VAL 48 HB VAL 48 72.539 4.782 -1.156 354 HG11 VAL 48 HG11 VAL 48 73.480 4.316 1.072 355 HG12 VAL 48 HG12 VAL 48 72.728 5.801 1.672 356 HG13 VAL 48 HG13 VAL 48 73.968 5.883 0.429 357 HG21 VAL 48 HG21 VAL 48 71.392 3.292 0.430 358 HG22 VAL 48 HG22 VAL 48 70.258 4.114 -0.646 359 HG23 VAL 48 HG23 VAL 48 70.451 4.662 1.021 360 H GLU 49 HN GLU 49 72.353 8.617 0.446 361 HA GLU 49 HA GLU 49 74.280 9.289 -1.668 362 HB2 GLU 49 HB2 GLU 49 73.216 10.929 0.613 363 HB3 GLU 49 HB1 GLU 49 74.481 11.440 -0.470 364 HG2 GLU 49 HG2 GLU 49 72.687 12.529 -1.192 365 HG3 GLU 49 HG1 GLU 49 72.738 11.178 -2.313 366 H ALA 50 HN ALA 50 76.435 9.144 -1.222 367 HA ALA 50 HA ALA 50 77.290 9.512 1.462 368 HB1 ALA 50 HB1 ALA 50 76.902 7.077 1.415 369 HB2 ALA 50 HB2 ALA 50 78.614 7.458 1.597 370 HB3 ALA 50 HB3 ALA 50 77.993 6.941 0.032 371 H GLU 51 HN GLU 51 79.785 9.310 1.449 372 HA GLU 51 HA GLU 51 80.754 10.577 -1.001 373 HB2 GLU 51 HB2 GLU 51 80.732 12.126 0.881 374 HB3 GLU 51 HB1 GLU 51 81.561 10.949 1.886 375 HG2 GLU 51 HG2 GLU 51 83.037 12.756 1.140 376 HG3 GLU 51 HG1 GLU 51 83.568 11.177 0.574 377 H ASP 52 HN ASP 52 82.005 8.918 1.868 378 HA ASP 52 HA ASP 52 84.112 7.755 0.318 379 HB2 ASP 52 HB2 ASP 52 84.648 8.279 2.598 380 HB3 ASP 52 HB1 ASP 52 83.258 7.359 3.176 381 H SER 53 HN SER 53 84.239 5.834 -0.556 382 HA SER 53 HA SER 53 81.846 4.579 -1.179 383 HB2 SER 53 HB2 SER 53 84.664 3.731 -1.762 384 HB3 SER 53 HB1 SER 53 83.211 3.110 -2.558 385 HG SER 53 HG SER 53 82.796 5.519 -2.821 386 H GLU 54 HN GLU 54 84.301 3.590 1.268 387 HA GLU 54 HA GLU 54 83.099 0.978 1.437 388 HB2 GLU 54 HB2 GLU 54 84.584 0.527 3.300 389 HB3 GLU 54 HB1 GLU 54 85.519 1.421 2.124 390 HG2 GLU 54 HG2 GLU 54 85.087 3.480 3.489 391 HG3 GLU 54 HG1 GLU 54 84.349 2.439 4.698 392 H THR 55 HN THR 55 82.830 4.035 2.962 393 HA THR 55 HA THR 55 81.060 3.508 5.045 394 HB THR 55 HB THR 55 81.238 5.942 3.245 395 HG1 THR 55 HG1 THR 55 83.220 5.511 4.123 396 HG21 THR 55 HG21 THR 55 79.220 5.962 4.681 397 HG22 THR 55 HG22 THR 55 80.378 7.206 5.142 398 HG23 THR 55 HG23 THR 55 80.242 5.733 6.107 399 H LEU 56 HN LEU 56 80.475 4.355 1.637 400 HA LEU 56 HA LEU 56 77.706 4.314 1.568 401 HB2 LEU 56 HB2 LEU 56 79.089 5.066 -0.304 402 HB3 LEU 56 HB1 LEU 56 79.679 3.439 -0.546 403 HG LEU 56 HG LEU 56 77.384 2.732 -1.177 404 HD11 LEU 56 HD11 LEU 56 75.706 4.404 -1.694 405 HD12 LEU 56 HD12 LEU 56 76.747 5.674 -1.064 406 HD13 LEU 56 HD13 LEU 56 76.113 4.432 0.021 407 HD21 LEU 56 HD21 LEU 56 77.390 3.800 -3.378 408 HD22 LEU 56 HD22 LEU 56 79.011 3.318 -2.885 409 HD23 LEU 56 HD23 LEU 56 78.525 5.013 -2.788 410 H ILE 57 HN ILE 57 79.960 1.638 0.996 411 HA ILE 57 HA ILE 57 78.111 -0.401 0.480 412 HB ILE 57 HB ILE 57 80.746 -0.743 1.940 413 HG12 ILE 57 HG12 ILE 57 81.172 0.465 -0.127 414 HG13 ILE 57 HG11 ILE 57 81.756 -1.181 -0.275 415 HG21 ILE 57 HG21 ILE 57 80.759 -3.010 0.985 416 HG22 ILE 57 HG22 ILE 57 79.172 -2.710 0.278 417 HG23 ILE 57 HG23 ILE 57 79.363 -2.737 2.030 418 HD11 ILE 57 HD11 ILE 57 80.707 -0.431 -2.308 419 HD12 ILE 57 HD12 ILE 57 79.210 -0.086 -1.440 420 HD13 ILE 57 HD13 ILE 57 79.779 -1.756 -1.596 421 H GLN 58 HN GLN 58 79.611 0.550 3.540 422 HA GLN 58 HA GLN 58 78.310 -1.357 5.143 423 HB2 GLN 58 HB2 GLN 58 79.555 1.286 5.877 424 HB3 GLN 58 HB1 GLN 58 79.064 0.062 7.043 425 HG2 GLN 58 HG2 GLN 58 80.664 -1.508 6.144 426 HG3 GLN 58 HG1 GLN 58 81.070 -0.388 4.851 427 HE21 GLN 58 HE21 GLN 58 82.767 -1.606 6.838 428 HE22 GLN 58 HE22 GLN 58 83.523 -0.290 7.674 429 H THR 59 HN THR 59 77.357 1.841 4.121 430 HA THR 59 HA THR 59 75.166 2.135 5.890 431 HB THR 59 HB THR 59 75.459 3.305 3.100 432 HG1 THR 59 HG1 THR 59 77.259 3.811 4.481 433 HG21 THR 59 HG21 THR 59 73.904 4.238 5.522 434 HG22 THR 59 HG22 THR 59 73.214 3.569 4.038 435 HG23 THR 59 HG23 THR 59 74.048 5.119 4.004 436 H ILE 60 HN ILE 60 75.559 0.682 2.703 437 HA ILE 60 HA ILE 60 72.836 0.054 2.288 438 HB ILE 60 HB ILE 60 75.348 -1.194 1.127 439 HG12 ILE 60 HG12 ILE 60 73.478 0.891 -0.026 440 HG13 ILE 60 HG11 ILE 60 75.049 1.221 0.687 441 HG21 ILE 60 HG21 ILE 60 73.449 -2.734 0.887 442 HG22 ILE 60 HG22 ILE 60 73.892 -2.062 -0.681 443 HG23 ILE 60 HG23 ILE 60 72.478 -1.445 0.171 444 HD11 ILE 60 HD11 ILE 60 75.150 1.238 -1.739 445 HD12 ILE 60 HD12 ILE 60 74.534 -0.412 -1.787 446 HD13 ILE 60 HD13 ILE 60 76.118 -0.081 -1.080 447 H GLU 61 HN GLU 61 75.516 -1.595 3.849 448 HA GLU 61 HA GLU 61 74.267 -4.061 4.364 449 HB2 GLU 61 HB2 GLU 61 76.329 -2.598 6.017 450 HB3 GLU 61 HB1 GLU 61 75.848 -4.264 6.267 451 HG2 GLU 61 HG2 GLU 61 76.641 -4.772 3.970 452 HG3 GLU 61 HG1 GLU 61 77.246 -3.120 3.865 453 H SER 62 HN SER 62 74.267 -1.042 6.241 454 HA SER 62 HA SER 62 72.772 -1.788 8.432 455 HB2 SER 62 HB2 SER 62 72.837 0.680 6.801 456 HB3 SER 62 HB1 SER 62 72.085 0.604 8.372 457 HG SER 62 HG SER 62 74.044 1.056 9.056 458 H VAL 63 HN VAL 63 71.783 -0.650 5.277 459 HA VAL 63 HA VAL 63 69.013 -0.583 5.625 460 HB VAL 63 HB VAL 63 70.812 -0.953 3.293 461 HG11 VAL 63 HG11 VAL 63 68.602 -1.905 2.639 462 HG12 VAL 63 HG12 VAL 63 68.806 -0.354 1.819 463 HG13 VAL 63 HG13 VAL 63 67.789 -0.464 3.253 464 HG21 VAL 63 HG21 VAL 63 70.978 1.187 4.329 465 HG22 VAL 63 HG22 VAL 63 69.231 1.429 4.238 466 HG23 VAL 63 HG23 VAL 63 70.194 1.385 2.763 467 H ARG 64 HN ARG 64 71.195 -3.169 4.698 468 HA ARG 64 HA ARG 64 69.159 -5.082 4.076 469 HB2 ARG 64 HB2 ARG 64 72.009 -5.632 4.897 470 HB3 ARG 64 HB1 ARG 64 70.927 -6.750 4.087 471 HG2 ARG 64 HG2 ARG 64 70.873 -5.206 2.161 472 HG3 ARG 64 HG1 ARG 64 72.097 -4.226 2.971 473 HD2 ARG 64 HD2 ARG 64 72.337 -7.071 2.002 474 HD3 ARG 64 HD1 ARG 64 73.175 -5.639 1.412 475 HE ARG 64 HE ARG 64 73.653 -6.280 4.184 476 HH11 ARG 64 HH11 ARG 64 74.828 -6.624 0.835 477 HH12 ARG 64 HH12 ARG 64 76.348 -7.194 1.286 478 HH21 ARG 64 HH21 ARG 64 75.794 -7.046 4.788 479 HH22 ARG 64 HH22 ARG 64 76.924 -7.402 3.573 480 H ASN 65 HN ASN 65 70.173 -3.785 6.984 481 HA ASN 65 HA ASN 65 69.719 -6.119 8.611 482 HB2 ASN 65 HB2 ASN 65 70.401 -3.267 9.204 483 HB3 ASN 65 HB1 ASN 65 69.782 -4.303 10.492 484 HD21 ASN 65 HD21 ASN 65 71.896 -5.405 7.900 485 HD22 ASN 65 HD22 ASN 65 73.275 -5.653 8.897 486 H VAL 66 HN VAL 66 67.693 -4.064 6.991 487 HA VAL 66 HA VAL 66 65.624 -3.906 8.978 488 HB VAL 66 HB VAL 66 65.393 -3.615 5.961 489 HG11 VAL 66 HG11 VAL 66 63.531 -2.942 8.226 490 HG12 VAL 66 HG12 VAL 66 63.241 -4.099 6.924 491 HG13 VAL 66 HG13 VAL 66 63.322 -2.363 6.585 492 HG21 VAL 66 HG21 VAL 66 65.706 -1.534 8.120 493 HG22 VAL 66 HG22 VAL 66 65.363 -1.195 6.422 494 HG23 VAL 66 HG23 VAL 66 66.894 -1.942 6.881 495 H GLU 67 HN GLU 67 64.748 -5.532 9.714 496 HA GLU 67 HA GLU 67 65.041 -8.146 9.150 497 HB2 GLU 67 HB2 GLU 67 63.115 -8.501 10.608 498 HB3 GLU 67 HB1 GLU 67 64.295 -7.357 11.236 499 HG2 GLU 67 HG2 GLU 67 62.844 -5.526 10.373 500 HG3 GLU 67 HG1 GLU 67 61.645 -6.744 9.989 501 H GLY 68 HN GLY 68 62.526 -6.152 7.703 502 HA2 GLY 68 HA2 GLY 68 61.192 -8.590 6.776 503 HA3 GLY 68 HA1 GLY 68 60.510 -6.977 6.728 504 H VAL 69 HN VAL 69 63.716 -7.154 5.581 505 HA VAL 69 HA VAL 69 62.691 -6.600 2.935 506 HB VAL 69 HB VAL 69 64.627 -5.309 3.916 507 HG11 VAL 69 HG11 VAL 69 66.894 -6.227 3.714 508 HG12 VAL 69 HG12 VAL 69 66.202 -7.810 3.351 509 HG13 VAL 69 HG13 VAL 69 65.913 -7.057 4.920 510 HG21 VAL 69 HG21 VAL 69 65.110 -6.615 1.247 511 HG22 VAL 69 HG22 VAL 69 65.840 -5.100 1.809 512 HG23 VAL 69 HG23 VAL 69 64.088 -5.218 1.581 513 H LEU 70 HN LEU 70 62.958 -7.806 1.095 514 HA LEU 70 HA LEU 70 63.534 -10.637 1.517 515 HB2 LEU 70 HB2 LEU 70 62.424 -9.178 -0.888 516 HB3 LEU 70 HB1 LEU 70 62.589 -10.914 -0.741 517 HG LEU 70 HG LEU 70 60.770 -9.217 0.961 518 HD11 LEU 70 HD11 LEU 70 58.965 -10.149 -0.409 519 HD12 LEU 70 HD12 LEU 70 60.161 -10.968 -1.412 520 HD13 LEU 70 HD13 LEU 70 60.095 -9.206 -1.388 521 HD21 LEU 70 HD21 LEU 70 59.781 -11.387 1.562 522 HD22 LEU 70 HD22 LEU 70 61.470 -11.272 2.065 523 HD23 LEU 70 HD23 LEU 70 61.036 -12.210 0.635 524 H ALA 71 HN ALA 71 64.157 -8.123 -0.870 525 HA ALA 71 HA ALA 71 66.943 -8.888 -1.031 526 HB1 ALA 71 HB1 ALA 71 65.876 -10.272 -2.758 527 HB2 ALA 71 HB2 ALA 71 66.864 -8.999 -3.482 528 HB3 ALA 71 HB3 ALA 71 65.114 -8.831 -3.439 529 H VAL 72 HN VAL 72 68.100 -7.084 -1.189 530 HA VAL 72 HA VAL 72 66.699 -4.739 -2.171 531 HB VAL 72 HB VAL 72 67.450 -4.382 0.137 532 HG11 VAL 72 HG11 VAL 72 69.304 -5.890 0.319 533 HG12 VAL 72 HG12 VAL 72 69.830 -4.248 0.722 534 HG13 VAL 72 HG13 VAL 72 70.234 -4.942 -0.843 535 HG21 VAL 72 HG21 VAL 72 67.425 -2.450 -1.322 536 HG22 VAL 72 HG22 VAL 72 69.089 -2.773 -1.811 537 HG23 VAL 72 HG23 VAL 72 68.731 -2.317 -0.144 538 H SER 73 HN SER 73 67.087 -4.316 -4.112 539 HA SER 73 HA SER 73 69.467 -5.349 -5.399 540 HB2 SER 73 HB2 SER 73 67.036 -3.952 -6.475 541 HB3 SER 73 HB1 SER 73 68.272 -4.734 -7.471 542 HG SER 73 HG SER 73 66.118 -5.849 -6.217 543 H LEU 74 HN LEU 74 71.201 -4.167 -5.663 544 HA LEU 74 HA LEU 74 71.201 -1.375 -4.949 545 HB2 LEU 74 HB2 LEU 74 72.936 -3.280 -4.444 546 HB3 LEU 74 HB1 LEU 74 73.547 -2.886 -6.033 547 HG LEU 74 HG LEU 74 73.469 -1.096 -3.603 548 HD11 LEU 74 HD11 LEU 74 75.905 -1.174 -3.775 549 HD12 LEU 74 HD12 LEU 74 75.758 -2.336 -5.095 550 HD13 LEU 74 HD13 LEU 74 75.179 -2.754 -3.480 551 HD21 LEU 74 HD21 LEU 74 74.510 -0.443 -6.362 552 HD22 LEU 74 HD22 LEU 74 74.719 0.553 -4.923 553 HD23 LEU 74 HD23 LEU 74 73.103 0.281 -5.579 554 H VAL 75 HN VAL 75 70.827 0.149 -6.440 555 HA VAL 75 HA VAL 75 71.268 -0.523 -9.240 556 HB VAL 75 HB VAL 75 69.567 1.676 -8.060 557 HG11 VAL 75 HG11 VAL 75 68.582 1.836 -10.337 558 HG12 VAL 75 HG12 VAL 75 69.743 0.633 -10.907 559 HG13 VAL 75 HG13 VAL 75 70.304 2.197 -10.330 560 HG21 VAL 75 HG21 VAL 75 68.718 -1.012 -9.129 561 HG22 VAL 75 HG22 VAL 75 67.617 0.304 -8.736 562 HG23 VAL 75 HG23 VAL 75 68.594 -0.436 -7.466 563 H TYR 76 HN TYR 76 73.505 -0.146 -8.692 564 HA TYR 76 HA TYR 76 74.695 1.801 -10.078 565 HB2 TYR 76 HB2 TYR 76 73.817 3.509 -8.382 566 HB3 TYR 76 HB1 TYR 76 74.804 2.713 -7.169 567 HD1 TYR 76 HD1 TYR 76 75.179 4.237 -10.561 568 HD2 TYR 76 HD2 TYR 76 76.890 3.668 -6.708 569 HE1 TYR 76 HE1 TYR 76 77.034 5.730 -11.167 570 HE2 TYR 76 HE2 TYR 76 78.759 5.159 -7.316 571 HH TYR 76 HH TYR 76 78.624 7.145 -10.061 572 H HIS 77 HN HIS 77 75.709 -0.264 -10.346 573 HA HIS 77 HA HIS 77 77.776 -0.601 -8.306 574 HB2 HIS 77 HB2 HIS 77 76.039 -2.411 -8.084 575 HB3 HIS 77 HB1 HIS 77 76.464 -2.940 -9.709 576 HD1 HIS 77 HD1 HIS 77 78.655 -4.323 -9.968 577 HD2 HIS 77 HD2 HIS 77 77.953 -2.964 -6.103 578 HE1 HIS 77 HE1 HIS 77 80.317 -5.516 -8.491 579 H GLN 78 HN GLN 78 78.670 0.868 -9.950 580 HA GLN 78 HA GLN 78 79.848 -0.679 -12.113 581 HB2 GLN 78 HB2 GLN 78 78.705 1.366 -12.826 582 HB3 GLN 78 HB1 GLN 78 79.677 2.311 -11.707 583 HG2 GLN 78 HG2 GLN 78 81.650 1.931 -12.979 584 HG3 GLN 78 HG1 GLN 78 80.825 0.760 -14.006 585 HE21 GLN 78 HE21 GLN 78 82.191 3.302 -14.646 586 HE22 GLN 78 HE22 GLN 78 81.009 4.213 -15.508 587 H GLN 79 HN GLN 79 81.319 -1.767 -10.941 588 HA GLN 79 HA GLN 79 83.146 -0.200 -9.344 589 HB2 GLN 79 HB2 GLN 79 82.101 -2.224 -8.307 590 HB3 GLN 79 HB1 GLN 79 82.882 -3.222 -9.518 591 HG2 GLN 79 HG2 GLN 79 84.542 -1.474 -7.740 592 HG3 GLN 79 HG1 GLN 79 83.900 -2.983 -7.122 593 HE21 GLN 79 HE21 GLN 79 86.654 -2.071 -7.674 594 HE22 GLN 79 HE22 GLN 79 87.335 -3.294 -8.666 595 H GLU 80 HN GLU 80 84.433 0.773 -10.699 596 HA GLU 80 HA GLU 80 85.859 -0.793 -12.652 597 HB2 GLU 80 HB2 GLU 80 85.988 2.180 -11.990 598 HB3 GLU 80 HB1 GLU 80 86.843 1.412 -13.318 599 HG2 GLU 80 HG2 GLU 80 84.695 0.764 -14.329 600 HG3 GLU 80 HG1 GLU 80 83.842 1.551 -13.011 601 H GLU 81 HN GLU 81 87.921 -1.444 -12.312 602 HA GLU 81 HA GLU 81 88.655 -1.711 -9.592 603 HB2 GLU 81 HB2 GLU 81 89.046 -3.515 -11.161 604 HB3 GLU 81 HB1 GLU 81 90.160 -2.516 -12.077 605 HG2 GLU 81 HG2 GLU 81 91.713 -2.487 -10.231 606 HG3 GLU 81 HG1 GLU 81 90.581 -3.372 -9.221 607 H GLN 82 HN GLN 82 90.129 0.069 -12.225 608 HA GLN 82 HA GLN 82 91.612 1.819 -12.292 609 HB2 GLN 82 HB2 GLN 82 90.795 2.222 -9.389 610 HB3 GLN 82 HB1 GLN 82 91.630 3.397 -10.383 611 HG2 GLN 82 HG2 GLN 82 89.696 3.628 -11.805 612 HG3 GLN 82 HG1 GLN 82 88.855 2.365 -10.905 613 HE21 GLN 82 HE21 GLN 82 89.929 5.666 -10.869 614 HE22 GLN 82 HE22 GLN 82 89.061 6.129 -9.453 615 H GLY 83 HN GLY 83 93.346 2.766 -10.201 616 HA2 GLY 83 HA2 GLY 83 94.918 0.349 -9.658 617 HA3 GLY 83 HA1 GLY 83 95.656 1.888 -10.136 618 H GLU 84 HN GLU 84 93.328 0.642 -7.770 619 HA GLU 84 HA GLU 84 93.795 2.643 -5.889 620 HB2 GLU 84 HB2 GLU 84 92.832 -0.174 -5.433 621 HB3 GLU 84 HB1 GLU 84 92.872 1.054 -4.190 622 HG2 GLU 84 HG2 GLU 84 91.339 2.415 -5.639 623 HG3 GLU 84 HG1 GLU 84 91.167 0.979 -6.657 624 H GLU 85 HN GLU 85 95.317 2.945 -4.423 625 HA GLU 85 HA GLU 85 97.409 0.919 -4.189 626 HB2 GLU 85 HB2 GLU 85 98.757 2.693 -3.132 627 HB3 GLU 85 HB1 GLU 85 98.237 3.117 -4.755 628 HG2 GLU 85 HG2 GLU 85 96.579 4.610 -3.896 629 HG3 GLU 85 HG1 GLU 85 96.889 4.075 -2.242 630 H THR 86 HN THR 86 94.654 1.827 -2.700 631 HA THR 86 HA THR 86 95.542 0.631 -0.202 632 HB THR 86 HB THR 86 93.578 1.998 0.821 633 HG1 THR 86 HG1 THR 86 92.661 2.950 -0.868 634 HG21 THR 86 HG21 THR 86 95.923 2.358 1.411 635 HG22 THR 86 HG22 THR 86 95.072 3.894 1.284 636 HG23 THR 86 HG23 THR 86 96.136 3.364 -0.023 637 HA PRO 87 HA PRO 87 92.224 -2.093 -1.710 638 HB2 PRO 87 HB2 PRO 87 93.279 -4.377 -0.747 639 HB3 PRO 87 HB1 PRO 87 93.904 -3.641 -2.228 640 HG2 PRO 87 HG2 PRO 87 95.003 -3.540 0.551 641 HG3 PRO 87 HG1 PRO 87 95.866 -3.756 -0.985 642 HD2 PRO 87 HD2 PRO 87 95.682 -1.381 0.367 643 HD3 PRO 87 HD1 PRO 87 95.938 -1.497 -1.382 644 H ARG 88 HN ARG 88 91.221 -4.060 -0.174 645 HA ARG 88 HA ARG 88 90.574 -2.616 2.275 646 HB2 ARG 88 HB2 ARG 88 88.691 -4.219 2.558 647 HB3 ARG 88 HB1 ARG 88 88.603 -3.270 1.085 648 HG2 ARG 88 HG2 ARG 88 89.274 -5.159 -0.232 649 HG3 ARG 88 HG1 ARG 88 89.584 -6.119 1.222 650 HD2 ARG 88 HD2 ARG 88 87.256 -6.094 1.799 651 HD3 ARG 88 HD1 ARG 88 86.887 -4.964 0.504 652 HE ARG 88 HE ARG 88 87.959 -7.032 -0.813 653 HH11 ARG 88 HH11 ARG 88 85.367 -6.957 1.642 654 HH12 ARG 88 HH12 ARG 88 84.477 -8.196 0.922 655 HH21 ARG 88 HH21 ARG 88 86.670 -8.761 -1.778 656 HH22 ARG 88 HH22 ARG 88 85.191 -9.218 -1.069 657 H SER 89 HN SER 89 90.949 -3.297 4.268 658 HA SER 89 HA SER 89 92.823 -5.471 4.503 659 HB2 SER 89 HB2 SER 89 93.235 -3.344 5.718 660 HB3 SER 89 HB1 SER 89 91.742 -3.598 6.629 661 HG SER 89 HG SER 89 94.184 -4.980 6.731 662 H HIS 90 HN HIS 90 92.042 -7.397 4.665 663 HA HIS 90 HA HIS 90 89.676 -7.836 6.332 664 HB2 HIS 90 HB2 HIS 90 89.456 -8.143 3.710 665 HB3 HIS 90 HB1 HIS 90 90.369 -9.619 3.994 666 HD1 HIS 90 HD1 HIS 90 86.949 -8.431 3.831 667 HD2 HIS 90 HD2 HIS 90 88.979 -11.302 6.044 668 HE1 HIS 90 HE1 HIS 90 85.210 -10.017 4.682 669 H HIS 91 HN HIS 91 92.036 -7.675 7.403 670 HA HIS 91 HA HIS 91 93.714 -9.956 7.338 671 HB2 HIS 91 HB2 HIS 91 94.808 -8.985 9.350 672 HB3 HIS 91 HB1 HIS 91 94.614 -7.803 8.070 673 HD1 HIS 91 HD1 HIS 91 93.256 -5.654 8.669 674 HD2 HIS 91 HD2 HIS 91 93.161 -8.590 11.624 675 HE1 HIS 91 HE1 HIS 91 92.232 -4.593 10.689 676 H HIS 92 HN HIS 92 90.916 -9.086 9.127 677 HA HIS 92 HA HIS 92 90.972 -11.705 10.411 678 HB2 HIS 92 HB2 HIS 92 91.285 -10.018 12.144 679 HB3 HIS 92 HB1 HIS 92 89.946 -9.068 11.520 680 HD1 HIS 92 HD1 HIS 92 90.553 -12.436 13.221 681 HD2 HIS 92 HD2 HIS 92 87.561 -9.615 12.639 682 HE1 HIS 92 HE1 HIS 92 88.591 -13.191 14.625 683 H HIS 93 HN HIS 93 89.421 -12.932 9.639 684 HA HIS 93 HA HIS 93 87.459 -11.861 7.906 685 HB2 HIS 93 HB2 HIS 93 88.427 -14.122 7.540 686 HB3 HIS 93 HB1 HIS 93 87.650 -14.676 9.013 687 HD1 HIS 93 HD1 HIS 93 86.456 -12.972 5.781 688 HD2 HIS 93 HD2 HIS 93 85.340 -15.938 8.478 689 HE1 HIS 93 HE1 HIS 93 84.312 -13.946 4.902 690 H HIS 94 HN HIS 94 86.128 -10.575 8.788 691 HA HIS 94 HA HIS 94 84.707 -11.338 11.189 692 HB2 HIS 94 HB2 HIS 94 83.852 -8.962 11.130 693 HB3 HIS 94 HB1 HIS 94 85.591 -9.115 11.316 694 HD1 HIS 94 HD1 HIS 94 87.074 -8.353 9.217 695 HD2 HIS 94 HD2 HIS 94 82.988 -7.616 8.915 696 HE1 HIS 94 HE1 HIS 94 86.802 -6.682 7.355 697 H HIS 95 HN HIS 95 82.497 -11.435 11.269 698 HA HIS 95 HA HIS 95 81.385 -12.259 8.713 699 HB2 HIS 95 HB2 HIS 95 80.525 -12.907 11.550 700 HB3 HIS 95 HB1 HIS 95 79.750 -13.529 10.097 701 HD1 HIS 95 HD1 HIS 95 83.156 -13.668 11.829 702 HD2 HIS 95 HD2 HIS 95 80.851 -15.824 9.129 703 HE1 HIS 95 HE1 HIS 95 84.386 -15.832 11.428 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 87.866 20.380 -1.332 2 H2 MET 1 HT2 MET 1 88.614 21.663 -0.558 3 H3 MET 1 HT3 MET 1 87.296 21.939 -1.570 4 HA MET 1 HA MET 1 87.264 20.389 0.948 5 HB2 MET 1 HB2 MET 1 86.104 23.123 0.365 6 HB3 MET 1 HB1 MET 1 85.754 22.184 1.799 7 HG2 MET 1 HG2 MET 1 88.434 23.269 0.984 8 HG3 MET 1 HG1 MET 1 87.394 23.867 2.274 9 HE1 MET 1 HE1 MET 1 89.454 23.743 3.961 10 HE2 MET 1 HE2 MET 1 90.464 23.160 2.640 11 HE3 MET 1 HE3 MET 1 90.438 22.298 4.181 12 H HIS 2 HN HIS 2 85.650 21.193 -2.034 13 HA HIS 2 HA HIS 2 83.159 20.117 -1.112 14 HB2 HIS 2 HB2 HIS 2 84.077 20.978 -3.863 15 HB3 HIS 2 HB1 HIS 2 82.472 20.367 -3.504 16 HD1 HIS 2 HD1 HIS 2 82.406 23.039 -4.688 17 HD2 HIS 2 HD2 HIS 2 82.972 22.505 -0.611 18 HE1 HIS 2 HE1 HIS 2 81.806 25.235 -3.610 19 H THR 3 HN THR 3 82.727 18.023 -1.093 20 HA THR 3 HA THR 3 84.266 16.336 -2.908 21 HB THR 3 HB THR 3 83.116 15.550 -0.212 22 HG1 THR 3 HG1 THR 3 85.364 16.909 -0.882 23 HG21 THR 3 HG21 THR 3 85.076 14.156 -2.062 24 HG22 THR 3 HG22 THR 3 83.391 13.695 -1.830 25 HG23 THR 3 HG23 THR 3 84.535 13.554 -0.495 26 H ASN 4 HN ASN 4 83.001 15.704 -4.509 27 HA ASN 4 HA ASN 4 80.167 15.640 -4.227 28 HB2 ASN 4 HB2 ASN 4 82.016 14.993 -6.505 29 HB3 ASN 4 HB1 ASN 4 80.317 14.549 -6.592 30 HD21 ASN 4 HD21 ASN 4 78.778 16.146 -6.710 31 HD22 ASN 4 HD22 ASN 4 79.145 17.779 -7.124 32 H TRP 5 HN TRP 5 79.485 14.312 -2.887 33 HA TRP 5 HA TRP 5 80.403 11.665 -2.513 34 HB2 TRP 5 HB2 TRP 5 78.451 11.451 -1.021 35 HB3 TRP 5 HB1 TRP 5 79.436 12.853 -0.670 36 HD1 TRP 5 HD1 TRP 5 77.566 14.272 -3.344 37 HE1 TRP 5 HE1 TRP 5 75.392 15.393 -2.540 38 HE3 TRP 5 HE3 TRP 5 77.189 12.100 1.268 39 HZ2 TRP 5 HZ2 TRP 5 73.743 15.352 -0.265 40 HZ3 TRP 5 HZ3 TRP 5 75.287 12.706 2.697 41 HH2 TRP 5 HH2 TRP 5 73.601 14.291 1.944 42 H GLN 6 HN GLN 6 78.969 9.822 -2.575 43 HA GLN 6 HA GLN 6 77.852 9.763 -5.254 44 HB2 GLN 6 HB2 GLN 6 78.543 7.292 -5.140 45 HB3 GLN 6 HB1 GLN 6 79.781 8.504 -5.411 46 HG2 GLN 6 HG2 GLN 6 80.382 8.423 -3.054 47 HG3 GLN 6 HG1 GLN 6 79.189 7.173 -2.763 48 HE21 GLN 6 HE21 GLN 6 82.234 7.971 -4.140 49 HE22 GLN 6 HE22 GLN 6 82.752 6.368 -4.527 50 H VAL 7 HN VAL 7 76.030 8.654 -5.666 51 HA VAL 7 HA VAL 7 74.470 7.907 -3.309 52 HB VAL 7 HB VAL 7 72.452 8.728 -4.438 53 HG11 VAL 7 HG11 VAL 7 74.572 10.868 -4.485 54 HG12 VAL 7 HG12 VAL 7 73.795 10.264 -3.039 55 HG13 VAL 7 HG13 VAL 7 72.832 11.105 -4.259 56 HG21 VAL 7 HG21 VAL 7 73.140 8.350 -6.771 57 HG22 VAL 7 HG22 VAL 7 74.288 9.682 -6.648 58 HG23 VAL 7 HG23 VAL 7 72.559 9.998 -6.534 59 H CYS 8 HN CYS 8 72.972 6.236 -3.615 60 HA CYS 8 HA CYS 8 73.152 4.712 -6.083 61 HB2 CYS 8 HB2 CYS 8 73.408 2.605 -4.736 62 HB3 CYS 8 HB1 CYS 8 74.810 3.660 -4.658 63 HG CYS 8 HG CYS 8 73.791 4.785 -2.173 64 H SER 9 HN SER 9 71.295 3.552 -6.497 65 HA SER 9 HA SER 9 69.059 4.181 -4.737 66 HB2 SER 9 HB2 SER 9 68.522 5.031 -6.839 67 HB3 SER 9 HB1 SER 9 69.164 3.633 -7.734 68 HG SER 9 HG SER 9 66.903 3.754 -6.029 69 H LEU 10 HN LEU 10 68.186 2.650 -3.664 70 HA LEU 10 HA LEU 10 68.901 -0.116 -4.309 71 HB2 LEU 10 HB2 LEU 10 67.925 1.147 -1.804 72 HB3 LEU 10 HB1 LEU 10 68.274 -0.549 -1.951 73 HG LEU 10 HG LEU 10 70.272 1.686 -2.215 74 HD11 LEU 10 HD11 LEU 10 71.175 0.793 -0.090 75 HD12 LEU 10 HD12 LEU 10 69.859 -0.385 -0.040 76 HD13 LEU 10 HD13 LEU 10 69.509 1.338 0.097 77 HD21 LEU 10 HD21 LEU 10 71.957 -0.113 -2.200 78 HD22 LEU 10 HD22 LEU 10 70.907 -0.154 -3.610 79 HD23 LEU 10 HD23 LEU 10 70.660 -1.305 -2.293 80 H VAL 11 HN VAL 11 67.386 -1.120 -5.269 81 HA VAL 11 HA VAL 11 64.589 -0.312 -4.897 82 HB VAL 11 HB VAL 11 65.657 -2.478 -6.754 83 HG11 VAL 11 HG11 VAL 11 62.977 -1.096 -6.701 84 HG12 VAL 11 HG12 VAL 11 63.300 -2.753 -6.194 85 HG13 VAL 11 HG13 VAL 11 63.497 -2.292 -7.885 86 HG21 VAL 11 HG21 VAL 11 65.381 -0.867 -8.593 87 HG22 VAL 11 HG22 VAL 11 66.572 -0.305 -7.416 88 HG23 VAL 11 HG23 VAL 11 64.948 0.383 -7.426 89 H VAL 12 HN VAL 12 63.889 -1.059 -3.059 90 HA VAL 12 HA VAL 12 64.752 -3.664 -2.131 91 HB VAL 12 HB VAL 12 63.336 -1.394 -0.703 92 HG11 VAL 12 HG11 VAL 12 63.774 -2.595 1.362 93 HG12 VAL 12 HG12 VAL 12 64.540 -3.886 0.453 94 HG13 VAL 12 HG13 VAL 12 62.804 -3.599 0.271 95 HG21 VAL 12 HG21 VAL 12 66.202 -2.312 -0.553 96 HG22 VAL 12 HG22 VAL 12 65.476 -1.050 0.447 97 HG23 VAL 12 HG23 VAL 12 65.625 -0.824 -1.296 98 H GLN 13 HN GLN 13 63.484 -5.290 -2.233 99 HA GLN 13 HA GLN 13 60.582 -5.003 -2.594 100 HB2 GLN 13 HB2 GLN 13 61.747 -6.445 -4.239 101 HB3 GLN 13 HB1 GLN 13 62.464 -7.361 -2.926 102 HG2 GLN 13 HG2 GLN 13 60.628 -8.571 -4.007 103 HG3 GLN 13 HG1 GLN 13 60.311 -8.252 -2.310 104 HE21 GLN 13 HE21 GLN 13 59.427 -7.465 -5.577 105 HE22 GLN 13 HE22 GLN 13 57.969 -6.641 -5.171 106 H ALA 14 HN ALA 14 59.313 -5.551 -0.873 107 HA ALA 14 HA ALA 14 60.478 -6.985 1.381 108 HB1 ALA 14 HB1 ALA 14 59.944 -5.212 2.949 109 HB2 ALA 14 HB2 ALA 14 59.402 -4.184 1.622 110 HB3 ALA 14 HB3 ALA 14 61.100 -4.647 1.740 111 H LYS 15 HN LYS 15 58.781 -7.172 3.166 112 HA LYS 15 HA LYS 15 56.376 -8.282 2.195 113 HB2 LYS 15 HB2 LYS 15 57.193 -7.381 4.935 114 HB3 LYS 15 HB1 LYS 15 55.539 -7.871 4.671 115 HG2 LYS 15 HG2 LYS 15 56.542 -9.769 5.529 116 HG3 LYS 15 HG1 LYS 15 56.599 -10.063 3.800 117 HD2 LYS 15 HD2 LYS 15 58.929 -9.424 3.734 118 HD3 LYS 15 HD1 LYS 15 58.881 -8.964 5.437 119 HE2 LYS 15 HE2 LYS 15 58.221 -11.288 5.991 120 HE3 LYS 15 HE1 LYS 15 58.494 -11.734 4.301 121 HZ1 LYS 15 HZ1 LYS 15 60.516 -10.707 6.213 122 HZ2 LYS 15 HZ2 LYS 15 60.855 -11.090 4.611 123 HZ3 LYS 15 HZ3 LYS 15 60.387 -12.272 5.675 124 H SER 16 HN SER 16 54.567 -7.385 1.479 125 HA SER 16 HA SER 16 54.252 -4.660 1.103 126 HB2 SER 16 HB2 SER 16 52.130 -6.810 1.066 127 HB3 SER 16 HB1 SER 16 52.074 -5.248 0.239 128 HG SER 16 HG SER 16 52.917 -6.301 -1.320 129 H GLU 17 HN GLU 17 53.151 -6.733 3.708 130 HA GLU 17 HA GLU 17 51.336 -4.785 4.836 131 HB2 GLU 17 HB2 GLU 17 51.059 -6.352 6.658 132 HB3 GLU 17 HB1 GLU 17 50.995 -7.214 5.123 133 HG2 GLU 17 HG2 GLU 17 53.244 -8.030 5.428 134 HG3 GLU 17 HG1 GLU 17 53.434 -7.051 6.870 135 H ARG 18 HN ARG 18 54.683 -5.061 4.819 136 HA ARG 18 HA ARG 18 54.914 -3.920 7.512 137 HB2 ARG 18 HB2 ARG 18 55.812 -6.264 7.076 138 HB3 ARG 18 HB1 ARG 18 57.004 -5.508 6.036 139 HG2 ARG 18 HG2 ARG 18 57.965 -4.345 7.854 140 HG3 ARG 18 HG1 ARG 18 56.646 -4.833 8.925 141 HD2 ARG 18 HD2 ARG 18 57.311 -7.193 8.571 142 HD3 ARG 18 HD1 ARG 18 58.704 -6.636 7.662 143 HE ARG 18 HE ARG 18 59.145 -5.326 9.850 144 HH11 ARG 18 HH11 ARG 18 57.810 -8.607 9.680 145 HH12 ARG 18 HH12 ARG 18 58.513 -9.125 11.144 146 HH21 ARG 18 HH21 ARG 18 60.098 -6.015 11.832 147 HH22 ARG 18 HH22 ARG 18 59.933 -7.614 12.399 148 H ILE 19 HN ILE 19 54.672 -2.922 4.590 149 HA ILE 19 HA ILE 19 57.083 -1.658 3.887 150 HB ILE 19 HB ILE 19 54.226 -1.021 3.085 151 HG12 ILE 19 HG12 ILE 19 55.032 -3.205 2.371 152 HG13 ILE 19 HG11 ILE 19 54.806 -2.145 0.984 153 HG21 ILE 19 HG21 ILE 19 55.626 0.987 2.825 154 HG22 ILE 19 HG22 ILE 19 55.086 0.335 1.276 155 HG23 ILE 19 HG23 ILE 19 56.734 0.033 1.831 156 HD11 ILE 19 HD11 ILE 19 57.437 -2.869 2.279 157 HD12 ILE 19 HD12 ILE 19 57.247 -1.766 0.923 158 HD13 ILE 19 HD13 ILE 19 56.827 -3.468 0.741 159 H SER 20 HN SER 20 54.340 -0.558 5.798 160 HA SER 20 HA SER 20 55.196 2.100 6.085 161 HB2 SER 20 HB2 SER 20 52.883 1.334 6.634 162 HB3 SER 20 HB1 SER 20 53.518 0.481 8.036 163 HG SER 20 HG SER 20 53.966 3.238 7.676 164 H ASP 21 HN ASP 21 55.995 -0.818 7.913 165 HA ASP 21 HA ASP 21 57.423 0.482 10.013 166 HB2 ASP 21 HB2 ASP 21 57.798 -2.338 8.948 167 HB3 ASP 21 HB1 ASP 21 58.455 -1.723 10.459 168 H ILE 22 HN ILE 22 58.422 -1.252 7.159 169 HA ILE 22 HA ILE 22 61.174 -0.833 7.466 170 HB ILE 22 HB ILE 22 59.667 -1.540 4.934 171 HG12 ILE 22 HG12 ILE 22 60.970 -3.338 6.981 172 HG13 ILE 22 HG11 ILE 22 59.244 -3.010 6.903 173 HG21 ILE 22 HG21 ILE 22 61.800 -2.540 4.224 174 HG22 ILE 22 HG22 ILE 22 62.565 -1.984 5.709 175 HG23 ILE 22 HG23 ILE 22 61.990 -0.811 4.523 176 HD11 ILE 22 HD11 ILE 22 60.913 -4.370 4.812 177 HD12 ILE 22 HD12 ILE 22 59.201 -3.983 4.658 178 HD13 ILE 22 HD13 ILE 22 59.732 -5.129 5.881 179 H SER 23 HN SER 23 58.790 1.006 5.519 180 HA SER 23 HA SER 23 60.713 2.608 4.246 181 HB2 SER 23 HB2 SER 23 58.299 2.385 3.550 182 HB3 SER 23 HB1 SER 23 57.864 3.416 4.909 183 HG SER 23 HG SER 23 58.513 4.198 2.514 184 H THR 24 HN THR 24 59.354 2.782 7.453 185 HA THR 24 HA THR 24 60.121 5.538 7.854 186 HB THR 24 HB THR 24 59.319 3.443 9.904 187 HG1 THR 24 HG1 THR 24 57.510 3.613 8.749 188 HG21 THR 24 HG21 THR 24 59.257 6.471 10.018 189 HG22 THR 24 HG22 THR 24 60.428 5.450 10.843 190 HG23 THR 24 HG23 THR 24 58.726 5.383 11.303 191 H GLN 25 HN GLN 25 61.225 2.324 8.623 192 HA GLN 25 HA GLN 25 63.444 2.940 10.166 193 HB2 GLN 25 HB2 GLN 25 62.345 0.698 8.659 194 HB3 GLN 25 HB1 GLN 25 63.989 0.518 9.162 195 HG2 GLN 25 HG2 GLN 25 63.214 0.954 11.519 196 HG3 GLN 25 HG1 GLN 25 61.569 1.055 10.902 197 HE21 GLN 25 HE21 GLN 25 62.004 -1.094 8.986 198 HE22 GLN 25 HE22 GLN 25 61.991 -2.547 9.905 199 H LEU 26 HN LEU 26 63.087 2.444 6.612 200 HA LEU 26 HA LEU 26 65.788 2.489 6.036 201 HB2 LEU 26 HB2 LEU 26 63.416 3.241 4.314 202 HB3 LEU 26 HB1 LEU 26 65.043 2.998 3.792 203 HG LEU 26 HG LEU 26 63.398 0.849 5.107 204 HD11 LEU 26 HD11 LEU 26 63.914 1.332 2.186 205 HD12 LEU 26 HD12 LEU 26 62.363 1.452 3.014 206 HD13 LEU 26 HD13 LEU 26 63.165 -0.112 2.862 207 HD21 LEU 26 HD21 LEU 26 65.113 -0.651 4.175 208 HD22 LEU 26 HD22 LEU 26 65.786 0.488 5.336 209 HD23 LEU 26 HD23 LEU 26 66.004 0.759 3.606 210 H ASN 27 HN ASN 27 63.460 5.061 6.480 211 HA ASN 27 HA ASN 27 65.241 7.101 5.463 212 HB2 ASN 27 HB2 ASN 27 62.591 7.198 6.831 213 HB3 ASN 27 HB1 ASN 27 63.519 8.679 6.575 214 HD21 ASN 27 HD21 ASN 27 61.481 6.287 5.204 215 HD22 ASN 27 HD22 ASN 27 61.318 7.005 3.660 216 H ALA 28 HN ALA 28 65.146 5.375 8.282 217 HA ALA 28 HA ALA 28 65.905 7.507 10.044 218 HB1 ALA 28 HB1 ALA 28 66.141 5.771 11.742 219 HB2 ALA 28 HB2 ALA 28 65.924 4.525 10.506 220 HB3 ALA 28 HB3 ALA 28 64.601 5.618 10.895 221 H PHE 29 HN PHE 29 67.537 5.597 7.730 222 HA PHE 29 HA PHE 29 70.020 5.572 9.076 223 HB2 PHE 29 HB2 PHE 29 69.064 4.879 6.336 224 HB3 PHE 29 HB1 PHE 29 70.733 4.728 6.790 225 HD1 PHE 29 HD2 PHE 29 71.051 3.278 9.029 226 HD2 PHE 29 HD1 PHE 29 67.737 3.130 6.423 227 HE1 PHE 29 HE2 PHE 29 70.527 1.015 9.868 228 HE2 PHE 29 HE1 PHE 29 67.169 0.848 7.246 229 HZ PHE 29 HZ PHE 29 68.580 -0.203 8.973 230 HA PRO 30 HA PRO 30 71.358 9.607 7.824 231 HB2 PRO 30 HB2 PRO 30 74.025 8.479 7.228 232 HB3 PRO 30 HB1 PRO 30 73.568 9.695 8.424 233 HG2 PRO 30 HG2 PRO 30 74.270 7.214 9.133 234 HG3 PRO 30 HG1 PRO 30 73.022 8.115 10.007 235 HD2 PRO 30 HD2 PRO 30 72.713 5.923 7.989 236 HD3 PRO 30 HD1 PRO 30 71.808 6.221 9.483 237 H GLY 31 HN GLY 31 70.682 10.370 5.953 238 HA2 GLY 31 HA2 GLY 31 70.759 10.991 3.756 239 HA3 GLY 31 HA1 GLY 31 72.286 10.131 3.628 240 H CYS 32 HN CYS 32 69.514 8.345 4.768 241 HA CYS 32 HA CYS 32 69.297 7.137 2.137 242 HB2 CYS 32 HB2 CYS 32 68.736 6.083 4.873 243 HB3 CYS 32 HB1 CYS 32 68.666 5.144 3.395 244 HG CYS 32 HG CYS 32 71.561 6.600 4.497 245 H GLU 33 HN GLU 33 67.534 7.978 1.240 246 HA GLU 33 HA GLU 33 65.146 8.292 2.932 247 HB2 GLU 33 HB2 GLU 33 66.042 10.478 2.146 248 HB3 GLU 33 HB1 GLU 33 65.853 9.931 0.487 249 HG2 GLU 33 HG2 GLU 33 63.431 9.715 0.846 250 HG3 GLU 33 HG1 GLU 33 63.639 10.294 2.495 251 H VAL 34 HN VAL 34 63.307 7.442 2.191 252 HA VAL 34 HA VAL 34 63.517 5.675 -0.113 253 HB VAL 34 HB VAL 34 61.090 6.100 1.656 254 HG11 VAL 34 HG11 VAL 34 61.865 3.827 -0.158 255 HG12 VAL 34 HG12 VAL 34 60.654 5.057 -0.497 256 HG13 VAL 34 HG13 VAL 34 60.405 3.920 0.829 257 HG21 VAL 34 HG21 VAL 34 62.981 5.372 3.022 258 HG22 VAL 34 HG22 VAL 34 63.224 3.995 1.940 259 HG23 VAL 34 HG23 VAL 34 61.749 4.124 2.887 260 H ALA 35 HN ALA 35 63.193 6.640 -1.964 261 HA ALA 35 HA ALA 35 61.652 9.069 -2.198 262 HB1 ALA 35 HB1 ALA 35 63.044 7.435 -4.329 263 HB2 ALA 35 HB2 ALA 35 63.731 8.815 -3.471 264 HB3 ALA 35 HB3 ALA 35 62.360 9.046 -4.549 265 H VAL 36 HN VAL 36 61.531 5.895 -3.753 266 HA VAL 36 HA VAL 36 58.716 6.379 -4.430 267 HB VAL 36 HB VAL 36 60.632 4.284 -5.506 268 HG11 VAL 36 HG11 VAL 36 57.869 4.999 -6.440 269 HG12 VAL 36 HG12 VAL 36 58.329 3.528 -5.586 270 HG13 VAL 36 HG13 VAL 36 58.961 3.841 -7.205 271 HG21 VAL 36 HG21 VAL 36 60.617 5.591 -7.576 272 HG22 VAL 36 HG22 VAL 36 61.281 6.497 -6.218 273 HG23 VAL 36 HG23 VAL 36 59.641 6.826 -6.781 274 H SER 37 HN SER 37 57.150 5.204 -3.447 275 HA SER 37 HA SER 37 57.879 2.688 -2.178 276 HB2 SER 37 HB2 SER 37 56.131 4.808 -0.892 277 HB3 SER 37 HB1 SER 37 56.561 3.233 -0.221 278 HG SER 37 HG SER 37 58.757 4.492 -0.958 279 H ASP 38 HN ASP 38 56.614 1.181 -2.970 280 HA ASP 38 HA ASP 38 53.831 1.826 -3.597 281 HB2 ASP 38 HB2 ASP 38 55.703 0.287 -5.401 282 HB3 ASP 38 HB1 ASP 38 53.996 0.046 -5.479 283 H ALA 39 HN ALA 39 53.072 0.930 -1.825 284 HA ALA 39 HA ALA 39 53.719 -1.464 -0.651 285 HB1 ALA 39 HB1 ALA 39 52.212 0.211 0.351 286 HB2 ALA 39 HB2 ALA 39 51.546 -1.420 0.424 287 HB3 ALA 39 HB3 ALA 39 50.948 -0.275 -0.778 288 HA PRO 40 HA PRO 40 50.374 -3.745 -3.641 289 HB2 PRO 40 HB2 PRO 40 50.477 -2.750 -6.184 290 HB3 PRO 40 HB1 PRO 40 49.288 -2.197 -4.991 291 HG2 PRO 40 HG2 PRO 40 51.993 -1.037 -5.580 292 HG3 PRO 40 HG1 PRO 40 50.472 -0.154 -5.671 293 HD2 PRO 40 HD2 PRO 40 51.809 0.097 -3.497 294 HD3 PRO 40 HD1 PRO 40 50.126 -0.459 -3.287 295 H SER 41 HN SER 41 53.522 -2.540 -4.230 296 HA SER 41 HA SER 41 54.197 -4.829 -5.946 297 HB2 SER 41 HB2 SER 41 54.475 -2.620 -6.993 298 HB3 SER 41 HB1 SER 41 55.524 -2.118 -5.677 299 HG SER 41 HG SER 41 56.380 -3.002 -7.806 300 H GLY 42 HN GLY 42 54.574 -3.380 -2.880 301 HA2 GLY 42 HA2 GLY 42 55.886 -3.842 -1.073 302 HA3 GLY 42 HA1 GLY 42 56.490 -5.260 -1.938 303 H GLN 43 HN GLN 43 56.619 -2.089 -3.315 304 HA GLN 43 HA GLN 43 59.503 -2.416 -3.604 305 HB2 GLN 43 HB2 GLN 43 57.912 -2.095 -5.585 306 HB3 GLN 43 HB1 GLN 43 57.708 -0.482 -4.961 307 HG2 GLN 43 HG2 GLN 43 60.047 0.015 -5.205 308 HG3 GLN 43 HG1 GLN 43 60.350 -1.616 -5.803 309 HE21 GLN 43 HE21 GLN 43 57.521 0.302 -6.613 310 HE22 GLN 43 HE22 GLN 43 57.927 0.480 -8.269 311 H LEU 44 HN LEU 44 60.822 -1.181 -2.589 312 HA LEU 44 HA LEU 44 60.055 1.526 -1.776 313 HB2 LEU 44 HB2 LEU 44 61.506 -0.565 -0.152 314 HB3 LEU 44 HB1 LEU 44 61.497 1.139 0.266 315 HG LEU 44 HG LEU 44 58.971 -0.499 0.051 316 HD11 LEU 44 HD11 LEU 44 60.617 0.141 2.497 317 HD12 LEU 44 HD12 LEU 44 60.414 -1.460 1.775 318 HD13 LEU 44 HD13 LEU 44 59.031 -0.631 2.487 319 HD21 LEU 44 HD21 LEU 44 58.717 1.917 -0.140 320 HD22 LEU 44 HD22 LEU 44 59.626 2.122 1.361 321 HD23 LEU 44 HD23 LEU 44 58.058 1.341 1.387 322 H ILE 45 HN ILE 45 61.326 2.798 -2.985 323 HA ILE 45 HA ILE 45 64.015 1.832 -3.615 324 HB ILE 45 HB ILE 45 62.461 4.133 -4.834 325 HG12 ILE 45 HG12 ILE 45 63.366 1.459 -5.927 326 HG13 ILE 45 HG11 ILE 45 61.710 1.976 -5.646 327 HG21 ILE 45 HG21 ILE 45 64.352 4.444 -6.370 328 HG22 ILE 45 HG22 ILE 45 65.264 3.233 -5.471 329 HG23 ILE 45 HG23 ILE 45 64.809 4.747 -4.689 330 HD11 ILE 45 HD11 ILE 45 61.935 3.650 -7.411 331 HD12 ILE 45 HD12 ILE 45 62.284 2.023 -8.013 332 HD13 ILE 45 HD13 ILE 45 63.604 3.140 -7.661 333 H VAL 46 HN VAL 46 65.629 2.489 -2.541 334 HA VAL 46 HA VAL 46 65.329 4.843 -0.800 335 HB VAL 46 HB VAL 46 67.171 2.462 -0.466 336 HG11 VAL 46 HG11 VAL 46 68.086 4.495 0.534 337 HG12 VAL 46 HG12 VAL 46 67.583 3.361 1.792 338 HG13 VAL 46 HG13 VAL 46 66.580 4.757 1.415 339 HG21 VAL 46 HG21 VAL 46 64.688 3.130 1.098 340 HG22 VAL 46 HG22 VAL 46 65.766 1.770 1.368 341 HG23 VAL 46 HG23 VAL 46 64.825 1.861 -0.121 342 H VAL 47 HN VAL 47 66.697 6.449 -1.112 343 HA VAL 47 HA VAL 47 68.938 6.045 -2.954 344 HB VAL 47 HB VAL 47 67.700 8.645 -1.977 345 HG11 VAL 47 HG11 VAL 47 69.028 9.705 -3.755 346 HG12 VAL 47 HG12 VAL 47 69.757 8.141 -4.132 347 HG13 VAL 47 HG13 VAL 47 70.044 8.895 -2.564 348 HG21 VAL 47 HG21 VAL 47 66.134 7.452 -3.412 349 HG22 VAL 47 HG22 VAL 47 67.375 7.265 -4.650 350 HG23 VAL 47 HG23 VAL 47 66.766 8.873 -4.248 351 H VAL 48 HN VAL 48 70.706 5.582 -1.924 352 HA VAL 48 HA VAL 48 71.143 6.695 0.753 353 HB VAL 48 HB VAL 48 72.535 4.389 -0.636 354 HG11 VAL 48 HG11 VAL 48 72.797 5.378 2.212 355 HG12 VAL 48 HG12 VAL 48 74.008 5.556 0.943 356 HG13 VAL 48 HG13 VAL 48 73.595 3.949 1.543 357 HG21 VAL 48 HG21 VAL 48 71.388 2.968 1.010 358 HG22 VAL 48 HG22 VAL 48 70.254 3.827 -0.027 359 HG23 VAL 48 HG23 VAL 48 70.536 4.386 1.620 360 H GLU 49 HN GLU 49 72.396 8.375 0.848 361 HA GLU 49 HA GLU 49 74.420 8.758 -1.225 362 HB2 GLU 49 HB2 GLU 49 74.124 11.226 -0.752 363 HB3 GLU 49 HB1 GLU 49 72.723 10.423 -1.443 364 HG2 GLU 49 HG2 GLU 49 71.921 10.206 0.999 365 HG3 GLU 49 HG1 GLU 49 73.113 11.465 1.311 366 H ALA 50 HN ALA 50 76.473 8.694 -0.624 367 HA ALA 50 HA ALA 50 77.234 9.446 2.075 368 HB1 ALA 50 HB1 ALA 50 77.920 6.760 0.876 369 HB2 ALA 50 HB2 ALA 50 76.810 7.027 2.217 370 HB3 ALA 50 HB3 ALA 50 78.526 7.389 2.406 371 H GLU 51 HN GLU 51 79.567 9.648 2.245 372 HA GLU 51 HA GLU 51 80.572 10.954 -0.118 373 HB2 GLU 51 HB2 GLU 51 80.744 11.994 2.094 374 HB3 GLU 51 HB1 GLU 51 81.713 10.634 2.636 375 HG2 GLU 51 HG2 GLU 51 83.488 11.257 1.095 376 HG3 GLU 51 HG1 GLU 51 82.508 12.608 0.516 377 H ASP 52 HN ASP 52 81.755 8.368 2.037 378 HA ASP 52 HA ASP 52 83.822 7.709 0.090 379 HB2 ASP 52 HB2 ASP 52 83.236 6.458 2.786 380 HB3 ASP 52 HB1 ASP 52 84.498 5.912 1.706 381 H SER 53 HN SER 53 83.926 5.770 -1.010 382 HA SER 53 HA SER 53 81.545 4.582 -1.827 383 HB2 SER 53 HB2 SER 53 83.258 2.932 -2.817 384 HB3 SER 53 HB1 SER 53 83.357 4.630 -3.311 385 HG SER 53 HG SER 53 85.245 3.187 -2.241 386 H GLU 54 HN GLU 54 84.010 3.589 0.471 387 HA GLU 54 HA GLU 54 82.854 1.021 0.930 388 HB2 GLU 54 HB2 GLU 54 84.528 0.895 2.797 389 HB3 GLU 54 HB1 GLU 54 85.199 1.191 1.200 390 HG2 GLU 54 HG2 GLU 54 85.335 3.604 1.771 391 HG3 GLU 54 HG1 GLU 54 84.812 3.195 3.407 392 H THR 55 HN THR 55 82.717 4.128 2.572 393 HA THR 55 HA THR 55 81.231 3.263 4.793 394 HB THR 55 HB THR 55 81.132 5.988 3.474 395 HG1 THR 55 HG1 THR 55 83.006 6.441 4.592 396 HG21 THR 55 HG21 THR 55 80.899 5.093 6.350 397 HG22 THR 55 HG22 THR 55 79.557 5.625 5.328 398 HG23 THR 55 HG23 THR 55 80.826 6.764 5.785 399 H LEU 56 HN LEU 56 80.395 4.276 1.516 400 HA LEU 56 HA LEU 56 77.626 4.390 1.716 401 HB2 LEU 56 HB2 LEU 56 78.934 5.077 -0.267 402 HB3 LEU 56 HB1 LEU 56 79.325 3.402 -0.583 403 HG LEU 56 HG LEU 56 76.886 2.968 -0.932 404 HD11 LEU 56 HD11 LEU 56 76.014 4.847 0.336 405 HD12 LEU 56 HD12 LEU 56 75.413 4.850 -1.316 406 HD13 LEU 56 HD13 LEU 56 76.691 5.972 -0.842 407 HD21 LEU 56 HD21 LEU 56 76.814 3.980 -3.157 408 HD22 LEU 56 HD22 LEU 56 78.403 3.295 -2.809 409 HD23 LEU 56 HD23 LEU 56 78.158 5.037 -2.721 410 H ILE 57 HN ILE 57 79.759 1.684 0.910 411 HA ILE 57 HA ILE 57 77.918 -0.370 0.633 412 HB ILE 57 HB ILE 57 80.694 -0.590 1.835 413 HG12 ILE 57 HG12 ILE 57 80.778 0.457 -0.367 414 HG13 ILE 57 HG11 ILE 57 81.450 -1.161 -0.437 415 HG21 ILE 57 HG21 ILE 57 79.387 -2.603 2.265 416 HG22 ILE 57 HG22 ILE 57 80.655 -2.926 1.080 417 HG23 ILE 57 HG23 ILE 57 78.987 -2.719 0.551 418 HD11 ILE 57 HD11 ILE 57 79.369 -1.975 -1.427 419 HD12 ILE 57 HD12 ILE 57 80.106 -0.694 -2.391 420 HD13 ILE 57 HD13 ILE 57 78.704 -0.339 -1.383 421 H GLN 58 HN GLN 58 79.586 0.647 3.594 422 HA GLN 58 HA GLN 58 78.468 -1.183 5.395 423 HB2 GLN 58 HB2 GLN 58 79.228 1.681 5.891 424 HB3 GLN 58 HB1 GLN 58 78.959 0.487 7.148 425 HG2 GLN 58 HG2 GLN 58 80.866 -0.794 6.322 426 HG3 GLN 58 HG1 GLN 58 81.126 0.405 5.058 427 HE21 GLN 58 HE21 GLN 58 80.352 2.605 6.965 428 HE22 GLN 58 HE22 GLN 58 81.743 2.808 7.943 429 H THR 59 HN THR 59 77.287 1.956 4.325 430 HA THR 59 HA THR 59 75.076 2.021 6.082 431 HB THR 59 HB THR 59 75.382 3.554 3.480 432 HG1 THR 59 HG1 THR 59 77.234 3.992 4.635 433 HG21 THR 59 HG21 THR 59 74.047 5.249 4.679 434 HG22 THR 59 HG22 THR 59 73.968 4.190 6.084 435 HG23 THR 59 HG23 THR 59 73.185 3.715 4.574 436 H ILE 60 HN ILE 60 75.510 0.967 2.726 437 HA ILE 60 HA ILE 60 72.826 0.305 2.176 438 HB ILE 60 HB ILE 60 75.383 -0.928 1.085 439 HG12 ILE 60 HG12 ILE 60 73.566 1.186 -0.101 440 HG13 ILE 60 HG11 ILE 60 75.112 1.503 0.668 441 HG21 ILE 60 HG21 ILE 60 74.024 -1.746 -0.794 442 HG22 ILE 60 HG22 ILE 60 72.565 -1.157 0.007 443 HG23 ILE 60 HG23 ILE 60 73.510 -2.455 0.741 444 HD11 ILE 60 HD11 ILE 60 74.684 -0.111 -1.833 445 HD12 ILE 60 HD12 ILE 60 76.240 0.201 -1.063 446 HD13 ILE 60 HD13 ILE 60 75.310 1.535 -1.751 447 H GLU 61 HN GLU 61 75.502 -1.546 3.568 448 HA GLU 61 HA GLU 61 74.176 -3.989 3.878 449 HB2 GLU 61 HB2 GLU 61 76.630 -3.651 4.135 450 HB3 GLU 61 HB1 GLU 61 76.330 -2.844 5.668 451 HG2 GLU 61 HG2 GLU 61 77.000 -5.119 6.074 452 HG3 GLU 61 HG1 GLU 61 75.308 -4.908 6.525 453 H SER 62 HN SER 62 74.303 -1.140 5.937 454 HA SER 62 HA SER 62 73.021 -2.045 8.224 455 HB2 SER 62 HB2 SER 62 72.926 0.529 6.763 456 HB3 SER 62 HB1 SER 62 72.312 0.355 8.387 457 HG SER 62 HG SER 62 75.028 -0.104 7.515 458 H VAL 63 HN VAL 63 71.748 -0.655 5.256 459 HA VAL 63 HA VAL 63 69.017 -0.728 5.817 460 HB VAL 63 HB VAL 63 70.655 -0.772 3.330 461 HG11 VAL 63 HG11 VAL 63 67.631 -0.458 3.526 462 HG12 VAL 63 HG12 VAL 63 68.476 -1.780 2.728 463 HG13 VAL 63 HG13 VAL 63 68.556 -0.144 2.058 464 HG21 VAL 63 HG21 VAL 63 69.044 1.398 4.648 465 HG22 VAL 63 HG22 VAL 63 69.885 1.577 3.108 466 HG23 VAL 63 HG23 VAL 63 70.800 1.257 4.585 467 H ARG 64 HN ARG 64 71.205 -3.145 4.462 468 HA ARG 64 HA ARG 64 69.114 -5.017 3.840 469 HB2 ARG 64 HB2 ARG 64 72.054 -5.655 4.148 470 HB3 ARG 64 HB1 ARG 64 70.843 -6.613 3.321 471 HG2 ARG 64 HG2 ARG 64 70.579 -4.624 1.757 472 HG3 ARG 64 HG1 ARG 64 72.066 -4.019 2.475 473 HD2 ARG 64 HD2 ARG 64 71.686 -6.620 0.991 474 HD3 ARG 64 HD1 ARG 64 72.593 -5.196 0.476 475 HE ARG 64 HE ARG 64 73.719 -6.131 2.884 476 HH11 ARG 64 HH11 ARG 64 73.378 -7.231 -0.463 477 HH12 ARG 64 HH12 ARG 64 74.791 -8.154 -0.475 478 HH21 ARG 64 HH21 ARG 64 75.664 -7.371 2.905 479 HH22 ARG 64 HH22 ARG 64 76.153 -8.241 1.521 480 H ASN 65 HN ASN 65 70.517 -4.073 6.710 481 HA ASN 65 HA ASN 65 70.271 -6.662 7.981 482 HB2 ASN 65 HB2 ASN 65 71.521 -4.088 8.759 483 HB3 ASN 65 HB1 ASN 65 70.894 -5.091 10.073 484 HD21 ASN 65 HD21 ASN 65 73.202 -4.938 7.426 485 HD22 ASN 65 HD22 ASN 65 74.204 -6.216 7.994 486 H VAL 66 HN VAL 66 68.071 -4.651 7.051 487 HA VAL 66 HA VAL 66 66.334 -4.790 9.436 488 HB VAL 66 HB VAL 66 65.752 -3.782 6.637 489 HG11 VAL 66 HG11 VAL 66 64.020 -3.616 9.117 490 HG12 VAL 66 HG12 VAL 66 63.846 -4.830 7.892 491 HG13 VAL 66 HG13 VAL 66 63.558 -3.122 7.473 492 HG21 VAL 66 HG21 VAL 66 65.667 -1.555 7.695 493 HG22 VAL 66 HG22 VAL 66 67.261 -2.291 7.868 494 HG23 VAL 66 HG23 VAL 66 66.145 -2.274 9.233 495 H GLU 67 HN GLU 67 65.000 -6.219 9.874 496 HA GLU 67 HA GLU 67 64.719 -8.331 8.012 497 HB2 GLU 67 HB2 GLU 67 64.865 -9.044 10.235 498 HB3 GLU 67 HB1 GLU 67 63.586 -7.940 10.760 499 HG2 GLU 67 HG2 GLU 67 61.962 -9.084 9.653 500 HG3 GLU 67 HG1 GLU 67 63.142 -9.892 8.647 501 H GLY 68 HN GLY 68 63.438 -8.257 6.547 502 HA2 GLY 68 HA2 GLY 68 60.787 -8.287 6.389 503 HA3 GLY 68 HA1 GLY 68 61.043 -6.550 6.572 504 H VAL 69 HN VAL 69 63.667 -7.288 5.152 505 HA VAL 69 HA VAL 69 62.724 -6.544 2.539 506 HB VAL 69 HB VAL 69 65.559 -7.030 3.524 507 HG11 VAL 69 HG11 VAL 69 64.507 -5.742 1.045 508 HG12 VAL 69 HG12 VAL 69 65.470 -7.215 1.167 509 HG13 VAL 69 HG13 VAL 69 66.180 -5.651 1.590 510 HG21 VAL 69 HG21 VAL 69 64.493 -5.208 4.771 511 HG22 VAL 69 HG22 VAL 69 64.043 -4.434 3.253 512 HG23 VAL 69 HG23 VAL 69 65.745 -4.594 3.689 513 H LEU 70 HN LEU 70 62.947 -7.791 0.716 514 HA LEU 70 HA LEU 70 63.485 -10.647 1.167 515 HB2 LEU 70 HB2 LEU 70 61.711 -9.332 -0.896 516 HB3 LEU 70 HB1 LEU 70 61.950 -11.058 -0.706 517 HG LEU 70 HG LEU 70 60.628 -9.255 1.327 518 HD11 LEU 70 HD11 LEU 70 59.260 -9.514 -0.664 519 HD12 LEU 70 HD12 LEU 70 58.564 -10.386 0.698 520 HD13 LEU 70 HD13 LEU 70 59.424 -11.268 -0.564 521 HD21 LEU 70 HD21 LEU 70 59.993 -11.352 2.437 522 HD22 LEU 70 HD22 LEU 70 61.741 -11.157 2.378 523 HD23 LEU 70 HD23 LEU 70 60.939 -12.263 1.260 524 H ALA 71 HN ALA 71 63.811 -7.887 -1.038 525 HA ALA 71 HA ALA 71 66.249 -9.069 -2.059 526 HB1 ALA 71 HB1 ALA 71 64.054 -8.114 -3.897 527 HB2 ALA 71 HB2 ALA 71 64.463 -9.797 -3.601 528 HB3 ALA 71 HB3 ALA 71 65.638 -8.733 -4.377 529 H VAL 72 HN VAL 72 67.755 -7.601 -2.359 530 HA VAL 72 HA VAL 72 67.004 -4.750 -2.493 531 HB VAL 72 HB VAL 72 69.590 -5.887 -1.353 532 HG11 VAL 72 HG11 VAL 72 69.917 -3.713 -2.373 533 HG12 VAL 72 HG12 VAL 72 70.037 -3.578 -0.618 534 HG13 VAL 72 HG13 VAL 72 68.573 -3.049 -1.444 535 HG21 VAL 72 HG21 VAL 72 67.267 -4.624 0.093 536 HG22 VAL 72 HG22 VAL 72 68.801 -5.087 0.826 537 HG23 VAL 72 HG23 VAL 72 67.731 -6.322 0.161 538 H SER 73 HN SER 73 67.242 -4.200 -4.580 539 HA SER 73 HA SER 73 69.504 -5.289 -6.034 540 HB2 SER 73 HB2 SER 73 67.212 -5.256 -7.119 541 HB3 SER 73 HB1 SER 73 67.295 -3.495 -7.086 542 HG SER 73 HG SER 73 68.214 -3.743 -8.937 543 H LEU 74 HN LEU 74 71.305 -4.115 -6.363 544 HA LEU 74 HA LEU 74 71.348 -1.465 -5.149 545 HB2 LEU 74 HB2 LEU 74 72.951 -3.593 -4.715 546 HB3 LEU 74 HB1 LEU 74 73.820 -2.854 -6.034 547 HG LEU 74 HG LEU 74 73.249 -1.660 -3.329 548 HD11 LEU 74 HD11 LEU 74 75.811 -2.449 -4.664 549 HD12 LEU 74 HD12 LEU 74 75.029 -3.242 -3.292 550 HD13 LEU 74 HD13 LEU 74 75.670 -1.607 -3.123 551 HD21 LEU 74 HD21 LEU 74 73.071 0.113 -4.977 552 HD22 LEU 74 HD22 LEU 74 74.605 -0.379 -5.688 553 HD23 LEU 74 HD23 LEU 74 74.568 0.290 -4.058 554 H VAL 75 HN VAL 75 70.841 0.012 -6.599 555 HA VAL 75 HA VAL 75 71.862 -0.168 -9.291 556 HB VAL 75 HB VAL 75 70.027 1.823 -7.952 557 HG11 VAL 75 HG11 VAL 75 71.223 2.879 -9.841 558 HG12 VAL 75 HG12 VAL 75 69.531 2.639 -10.276 559 HG13 VAL 75 HG13 VAL 75 70.772 1.541 -10.897 560 HG21 VAL 75 HG21 VAL 75 68.245 0.792 -9.314 561 HG22 VAL 75 HG22 VAL 75 68.993 -0.348 -8.191 562 HG23 VAL 75 HG23 VAL 75 69.408 -0.394 -9.907 563 H TYR 76 HN TYR 76 73.999 0.070 -8.857 564 HA TYR 76 HA TYR 76 74.880 2.802 -8.480 565 HB2 TYR 76 HB2 TYR 76 75.163 1.782 -6.264 566 HB3 TYR 76 HB1 TYR 76 75.983 0.408 -6.996 567 HD1 TYR 76 HD1 TYR 76 76.311 4.059 -6.368 568 HD2 TYR 76 HD2 TYR 76 78.311 0.424 -7.300 569 HE1 TYR 76 HE1 TYR 76 78.476 5.165 -6.026 570 HE2 TYR 76 HE2 TYR 76 80.471 1.519 -6.959 571 HH TYR 76 HH TYR 76 80.754 4.510 -5.445 572 H HIS 77 HN HIS 77 76.561 3.273 -9.796 573 HA HIS 77 HA HIS 77 78.220 1.308 -10.981 574 HB2 HIS 77 HB2 HIS 77 77.557 1.847 -13.361 575 HB3 HIS 77 HB1 HIS 77 76.359 0.922 -12.466 576 HD1 HIS 77 HD1 HIS 77 74.039 1.789 -12.633 577 HD2 HIS 77 HD2 HIS 77 76.847 4.713 -13.506 578 HE1 HIS 77 HE1 HIS 77 72.726 3.833 -13.300 579 H GLN 78 HN GLN 78 79.573 2.462 -12.702 580 HA GLN 78 HA GLN 78 80.238 5.086 -11.607 581 HB2 GLN 78 HB2 GLN 78 81.907 3.261 -13.350 582 HB3 GLN 78 HB1 GLN 78 82.444 4.774 -12.626 583 HG2 GLN 78 HG2 GLN 78 81.657 2.271 -11.140 584 HG3 GLN 78 HG1 GLN 78 83.300 2.869 -11.376 585 HE21 GLN 78 HE21 GLN 78 81.863 2.334 -8.929 586 HE22 GLN 78 HE22 GLN 78 81.787 3.799 -8.035 587 H GLN 79 HN GLN 79 81.132 6.619 -13.370 588 HA GLN 79 HA GLN 79 79.617 6.307 -15.812 589 HB2 GLN 79 HB2 GLN 79 78.819 8.719 -15.517 590 HB3 GLN 79 HB1 GLN 79 78.030 7.481 -14.555 591 HG2 GLN 79 HG2 GLN 79 79.488 8.128 -12.649 592 HG3 GLN 79 HG1 GLN 79 80.122 9.445 -13.631 593 HE21 GLN 79 HE21 GLN 79 78.855 11.243 -13.986 594 HE22 GLN 79 HE22 GLN 79 77.362 11.509 -13.167 595 H GLU 80 HN GLU 80 80.638 6.954 -17.529 596 HA GLU 80 HA GLU 80 83.018 8.697 -17.294 597 HB2 GLU 80 HB2 GLU 80 83.737 6.355 -17.391 598 HB3 GLU 80 HB1 GLU 80 82.750 6.093 -18.813 599 HG2 GLU 80 HG2 GLU 80 85.009 6.260 -19.527 600 HG3 GLU 80 HG1 GLU 80 84.189 7.730 -20.028 601 H GLU 81 HN GLU 81 80.809 7.078 -19.576 602 HA GLU 81 HA GLU 81 81.231 9.163 -21.552 603 HB2 GLU 81 HB2 GLU 81 79.583 6.655 -21.608 604 HB3 GLU 81 HB1 GLU 81 79.812 7.741 -22.968 605 HG2 GLU 81 HG2 GLU 81 82.206 7.286 -22.936 606 HG3 GLU 81 HG1 GLU 81 81.981 6.202 -21.563 607 H GLN 82 HN GLN 82 79.055 8.438 -19.076 608 HA GLN 82 HA GLN 82 77.282 10.520 -20.077 609 HB2 GLN 82 HB2 GLN 82 76.379 7.982 -18.681 610 HB3 GLN 82 HB1 GLN 82 75.340 9.340 -19.100 611 HG2 GLN 82 HG2 GLN 82 75.857 8.955 -21.485 612 HG3 GLN 82 HG1 GLN 82 76.792 7.534 -21.032 613 HE21 GLN 82 HE21 GLN 82 74.819 6.807 -18.919 614 HE22 GLN 82 HE22 GLN 82 73.473 6.183 -19.787 615 H GLY 83 HN GLY 83 76.724 12.008 -18.598 616 HA2 GLY 83 HA2 GLY 83 76.534 13.010 -16.543 617 HA3 GLY 83 HA1 GLY 83 77.073 11.513 -15.795 618 H GLU 84 HN GLU 84 79.384 11.041 -15.903 619 HA GLU 84 HA GLU 84 80.774 13.575 -15.517 620 HB2 GLU 84 HB2 GLU 84 80.659 12.012 -13.539 621 HB3 GLU 84 HB1 GLU 84 81.640 10.877 -14.451 622 HG2 GLU 84 HG2 GLU 84 82.956 12.182 -12.836 623 HG3 GLU 84 HG1 GLU 84 83.488 12.434 -14.496 624 H GLU 85 HN GLU 85 80.928 13.735 -17.718 625 HA GLU 85 HA GLU 85 82.643 11.932 -19.181 626 HB2 GLU 85 HB2 GLU 85 81.379 14.562 -19.928 627 HB3 GLU 85 HB1 GLU 85 82.265 13.520 -21.033 628 HG2 GLU 85 HG2 GLU 85 80.626 11.774 -20.757 629 HG3 GLU 85 HG1 GLU 85 79.767 12.741 -19.562 630 H THR 86 HN THR 86 84.771 12.181 -19.337 631 HA THR 86 HA THR 86 85.902 14.721 -18.462 632 HB THR 86 HB THR 86 87.077 11.982 -17.887 633 HG1 THR 86 HG1 THR 86 85.174 12.214 -16.713 634 HG21 THR 86 HG21 THR 86 87.688 14.725 -16.757 635 HG22 THR 86 HG22 THR 86 88.674 13.878 -17.945 636 HG23 THR 86 HG23 THR 86 88.502 13.222 -16.317 637 HA PRO 87 HA PRO 87 87.430 13.713 -22.648 638 HB2 PRO 87 HB2 PRO 87 87.504 16.574 -23.163 639 HB3 PRO 87 HB1 PRO 87 86.472 15.317 -23.860 640 HG2 PRO 87 HG2 PRO 87 85.541 17.288 -22.189 641 HG3 PRO 87 HG1 PRO 87 84.752 15.732 -22.464 642 HD2 PRO 87 HD2 PRO 87 86.476 16.608 -20.198 643 HD3 PRO 87 HD1 PRO 87 85.033 15.574 -20.192 644 H ARG 88 HN ARG 88 88.568 16.336 -20.551 645 HA ARG 88 HA ARG 88 91.292 15.949 -21.382 646 HB2 ARG 88 HB2 ARG 88 89.985 17.612 -19.253 647 HB3 ARG 88 HB1 ARG 88 91.702 17.303 -19.162 648 HG2 ARG 88 HG2 ARG 88 92.073 18.382 -21.259 649 HG3 ARG 88 HG1 ARG 88 90.347 18.576 -21.533 650 HD2 ARG 88 HD2 ARG 88 91.434 20.641 -20.727 651 HD3 ARG 88 HD1 ARG 88 90.180 20.074 -19.629 652 HE ARG 88 HE ARG 88 92.631 19.007 -18.818 653 HH11 ARG 88 HH11 ARG 88 91.038 22.171 -18.933 654 HH12 ARG 88 HH12 ARG 88 91.878 22.770 -17.575 655 HH21 ARG 88 HH21 ARG 88 93.748 19.852 -16.967 656 HH22 ARG 88 HH22 ARG 88 93.442 21.458 -16.470 657 H SER 89 HN SER 89 91.660 13.832 -21.089 658 HA SER 89 HA SER 89 91.123 12.545 -18.623 659 HB2 SER 89 HB2 SER 89 92.739 11.562 -20.991 660 HB3 SER 89 HB1 SER 89 92.085 10.577 -19.684 661 HG SER 89 HG SER 89 90.780 11.785 -21.833 662 H HIS 90 HN HIS 90 93.195 11.028 -17.984 663 HA HIS 90 HA HIS 90 94.699 12.752 -16.358 664 HB2 HIS 90 HB2 HIS 90 95.070 9.812 -16.952 665 HB3 HIS 90 HB1 HIS 90 95.876 10.690 -15.658 666 HD1 HIS 90 HD1 HIS 90 92.795 8.806 -16.385 667 HD2 HIS 90 HD2 HIS 90 94.014 11.717 -13.677 668 HE1 HIS 90 HE1 HIS 90 91.056 8.855 -14.579 669 H HIS 91 HN HIS 91 96.687 13.537 -16.487 670 HA HIS 91 HA HIS 91 98.143 13.333 -18.977 671 HB2 HIS 91 HB2 HIS 91 98.907 14.686 -16.368 672 HB3 HIS 91 HB1 HIS 91 99.788 14.826 -17.878 673 HD1 HIS 91 HD1 HIS 91 99.046 16.707 -19.444 674 HD2 HIS 91 HD2 HIS 91 96.370 15.969 -16.349 675 HE1 HIS 91 HE1 HIS 91 97.413 18.606 -19.468 676 H HIS 92 HN HIS 92 98.761 12.761 -15.568 677 HA HIS 92 HA HIS 92 101.046 11.086 -16.123 678 HB2 HIS 92 HB2 HIS 92 99.696 11.579 -13.439 679 HB3 HIS 92 HB1 HIS 92 101.299 10.919 -13.711 680 HD1 HIS 92 HD1 HIS 92 103.231 12.642 -14.123 681 HD2 HIS 92 HD2 HIS 92 99.464 14.353 -13.730 682 HE1 HIS 92 HE1 HIS 92 103.608 15.100 -13.851 683 H HIS 93 HN HIS 93 100.085 9.441 -17.252 684 HA HIS 93 HA HIS 93 97.944 7.907 -16.019 685 HB2 HIS 93 HB2 HIS 93 97.874 8.536 -18.446 686 HB3 HIS 93 HB1 HIS 93 99.322 7.573 -18.689 687 HD1 HIS 93 HD1 HIS 93 95.692 7.339 -18.835 688 HD2 HIS 93 HD2 HIS 93 98.867 4.733 -18.168 689 HE1 HIS 93 HE1 HIS 93 94.810 5.029 -19.249 690 H HIS 94 HN HIS 94 98.795 6.753 -14.399 691 HA HIS 94 HA HIS 94 100.902 4.829 -15.081 692 HB2 HIS 94 HB2 HIS 94 100.631 6.361 -12.475 693 HB3 HIS 94 HB1 HIS 94 101.790 5.070 -12.757 694 HD1 HIS 94 HD1 HIS 94 103.680 5.663 -14.683 695 HD2 HIS 94 HD2 HIS 94 101.451 8.830 -13.170 696 HE1 HIS 94 HE1 HIS 94 104.935 7.757 -15.298 697 H HIS 95 HN HIS 95 97.920 4.898 -14.876 698 HA HIS 95 HA HIS 95 97.597 2.518 -13.230 699 HB2 HIS 95 HB2 HIS 95 96.558 4.420 -12.019 700 HB3 HIS 95 HB1 HIS 95 95.649 4.849 -13.457 701 HD1 HIS 95 HD1 HIS 95 93.521 3.403 -13.981 702 HD2 HIS 95 HD2 HIS 95 95.580 2.261 -10.558 703 HE1 HIS 95 HE1 HIS 95 91.995 1.836 -12.749 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 83.429 21.559 1.885 2 H2 MET 1 HT2 MET 1 82.446 22.883 2.030 3 H3 MET 1 HT3 MET 1 84.125 23.077 2.131 4 HA MET 1 HA MET 1 83.244 23.803 -0.017 5 HB2 MET 1 HB2 MET 1 85.504 22.511 0.340 6 HB3 MET 1 HB1 MET 1 84.688 21.142 -0.367 7 HG2 MET 1 HG2 MET 1 85.022 23.756 -1.845 8 HG3 MET 1 HG1 MET 1 86.270 22.522 -1.844 9 HE1 MET 1 HE1 MET 1 84.914 22.218 -5.464 10 HE2 MET 1 HE2 MET 1 86.349 22.332 -4.449 11 HE3 MET 1 HE3 MET 1 85.211 23.681 -4.521 12 H HIS 2 HN HIS 2 82.640 22.285 -2.237 13 HA HIS 2 HA HIS 2 79.966 21.444 -1.730 14 HB2 HIS 2 HB2 HIS 2 81.668 21.191 -4.230 15 HB3 HIS 2 HB1 HIS 2 79.957 20.833 -4.145 16 HD1 HIS 2 HD1 HIS 2 82.247 23.526 -4.992 17 HD2 HIS 2 HD2 HIS 2 78.395 23.219 -3.453 18 HE1 HIS 2 HE1 HIS 2 81.187 25.749 -5.349 19 H THR 3 HN THR 3 79.898 19.661 -0.448 20 HA THR 3 HA THR 3 81.509 17.392 -0.863 21 HB THR 3 HB THR 3 79.751 16.374 0.712 22 HG1 THR 3 HG1 THR 3 78.074 17.703 0.320 23 HG21 THR 3 HG21 THR 3 81.897 17.274 1.527 24 HG22 THR 3 HG22 THR 3 80.593 17.635 2.658 25 HG23 THR 3 HG23 THR 3 81.194 18.890 1.578 26 H ASN 4 HN ASN 4 81.292 16.467 -2.823 27 HA ASN 4 HA ASN 4 78.588 16.113 -3.814 28 HB2 ASN 4 HB2 ASN 4 81.147 16.312 -5.368 29 HB3 ASN 4 HB1 ASN 4 79.659 15.727 -6.096 30 HD21 ASN 4 HD21 ASN 4 77.984 17.610 -4.476 31 HD22 ASN 4 HD22 ASN 4 78.229 19.146 -5.196 32 H TRP 5 HN TRP 5 78.296 14.573 -2.470 33 HA TRP 5 HA TRP 5 79.350 12.075 -2.237 34 HB2 TRP 5 HB2 TRP 5 76.980 11.441 -1.657 35 HB3 TRP 5 HB1 TRP 5 77.766 12.691 -0.713 36 HD1 TRP 5 HD1 TRP 5 76.425 14.089 -3.986 37 HE1 TRP 5 HE1 TRP 5 74.293 15.455 -3.481 38 HE3 TRP 5 HE3 TRP 5 75.613 12.508 0.726 39 HZ2 TRP 5 HZ2 TRP 5 72.505 15.784 -1.314 40 HZ3 TRP 5 HZ3 TRP 5 73.734 13.318 1.960 41 HH2 TRP 5 HH2 TRP 5 72.167 14.953 0.972 42 H GLN 6 HN GLN 6 78.697 10.102 -2.869 43 HA GLN 6 HA GLN 6 77.749 9.884 -5.600 44 HB2 GLN 6 HB2 GLN 6 78.783 7.550 -5.356 45 HB3 GLN 6 HB1 GLN 6 79.893 8.910 -5.437 46 HG2 GLN 6 HG2 GLN 6 80.135 8.865 -3.017 47 HG3 GLN 6 HG1 GLN 6 79.036 7.502 -2.903 48 HE21 GLN 6 HE21 GLN 6 79.762 5.481 -3.642 49 HE22 GLN 6 HE22 GLN 6 81.435 5.181 -3.935 50 H VAL 7 HN VAL 7 75.844 8.956 -5.924 51 HA VAL 7 HA VAL 7 74.393 8.015 -3.550 52 HB VAL 7 HB VAL 7 72.329 8.577 -4.751 53 HG11 VAL 7 HG11 VAL 7 74.300 10.851 -4.681 54 HG12 VAL 7 HG12 VAL 7 73.373 10.235 -3.316 55 HG13 VAL 7 HG13 VAL 7 72.540 11.000 -4.674 56 HG21 VAL 7 HG21 VAL 7 73.091 8.246 -7.060 57 HG22 VAL 7 HG22 VAL 7 74.149 9.650 -6.920 58 HG23 VAL 7 HG23 VAL 7 72.399 9.854 -6.853 59 H CYS 8 HN CYS 8 72.946 6.313 -3.751 60 HA CYS 8 HA CYS 8 73.256 4.636 -6.092 61 HB2 CYS 8 HB2 CYS 8 73.574 2.614 -4.656 62 HB3 CYS 8 HB1 CYS 8 74.922 3.747 -4.578 63 HG CYS 8 HG CYS 8 73.843 4.867 -2.153 64 H SER 9 HN SER 9 71.321 3.982 -6.762 65 HA SER 9 HA SER 9 69.093 4.148 -4.937 66 HB2 SER 9 HB2 SER 9 68.703 4.935 -7.232 67 HB3 SER 9 HB1 SER 9 69.149 3.345 -7.886 68 HG SER 9 HG SER 9 67.039 3.757 -6.051 69 H LEU 10 HN LEU 10 68.116 2.515 -4.029 70 HA LEU 10 HA LEU 10 69.058 -0.215 -4.533 71 HB2 LEU 10 HB2 LEU 10 68.095 1.090 -2.000 72 HB3 LEU 10 HB1 LEU 10 68.444 -0.609 -2.135 73 HG LEU 10 HG LEU 10 70.427 1.658 -2.353 74 HD11 LEU 10 HD11 LEU 10 71.319 0.751 -0.262 75 HD12 LEU 10 HD12 LEU 10 70.026 -0.449 -0.233 76 HD13 LEU 10 HD13 LEU 10 69.642 1.267 -0.087 77 HD21 LEU 10 HD21 LEU 10 72.135 -0.116 -2.370 78 HD22 LEU 10 HD22 LEU 10 71.108 -0.138 -3.799 79 HD23 LEU 10 HD23 LEU 10 70.853 -1.324 -2.511 80 H VAL 11 HN VAL 11 67.498 -1.648 -4.943 81 HA VAL 11 HA VAL 11 64.718 -0.720 -4.801 82 HB VAL 11 HB VAL 11 65.892 -3.022 -6.416 83 HG11 VAL 11 HG11 VAL 11 63.666 -3.215 -7.408 84 HG12 VAL 11 HG12 VAL 11 63.060 -1.988 -6.295 85 HG13 VAL 11 HG13 VAL 11 63.631 -3.536 -5.676 86 HG21 VAL 11 HG21 VAL 11 66.428 -0.813 -7.321 87 HG22 VAL 11 HG22 VAL 11 64.713 -0.407 -7.341 88 HG23 VAL 11 HG23 VAL 11 65.325 -1.701 -8.371 89 H VAL 12 HN VAL 12 63.974 -1.258 -2.908 90 HA VAL 12 HA VAL 12 64.809 -3.755 -1.692 91 HB VAL 12 HB VAL 12 63.157 -1.501 -0.538 92 HG11 VAL 12 HG11 VAL 12 63.625 -2.506 1.630 93 HG12 VAL 12 HG12 VAL 12 64.515 -3.806 0.847 94 HG13 VAL 12 HG13 VAL 12 62.776 -3.636 0.573 95 HG21 VAL 12 HG21 VAL 12 65.180 -0.847 0.684 96 HG22 VAL 12 HG22 VAL 12 65.410 -0.725 -1.061 97 HG23 VAL 12 HG23 VAL 12 66.094 -2.089 -0.173 98 H GLN 13 HN GLN 13 63.608 -5.415 -2.388 99 HA GLN 13 HA GLN 13 60.738 -5.164 -2.746 100 HB2 GLN 13 HB2 GLN 13 62.139 -6.604 -4.260 101 HB3 GLN 13 HB1 GLN 13 62.575 -7.574 -2.864 102 HG2 GLN 13 HG2 GLN 13 60.206 -8.180 -2.577 103 HG3 GLN 13 HG1 GLN 13 59.819 -7.269 -4.037 104 HE21 GLN 13 HE21 GLN 13 59.498 -10.108 -3.469 105 HE22 GLN 13 HE22 GLN 13 60.390 -10.937 -4.684 106 H ALA 14 HN ALA 14 59.553 -5.246 -0.931 107 HA ALA 14 HA ALA 14 60.499 -6.868 1.301 108 HB1 ALA 14 HB1 ALA 14 59.737 -3.968 1.407 109 HB2 ALA 14 HB2 ALA 14 61.352 -4.658 1.689 110 HB3 ALA 14 HB3 ALA 14 60.019 -5.022 2.787 111 H LYS 15 HN LYS 15 58.845 -6.843 3.036 112 HA LYS 15 HA LYS 15 56.356 -7.764 2.193 113 HB2 LYS 15 HB2 LYS 15 57.532 -7.003 4.780 114 HB3 LYS 15 HB1 LYS 15 55.789 -6.863 4.704 115 HG2 LYS 15 HG2 LYS 15 56.454 -8.995 5.638 116 HG3 LYS 15 HG1 LYS 15 55.627 -9.221 4.102 117 HD2 LYS 15 HD2 LYS 15 57.706 -9.645 2.999 118 HD3 LYS 15 HD1 LYS 15 58.615 -9.218 4.451 119 HE2 LYS 15 HE2 LYS 15 58.478 -11.646 4.294 120 HE3 LYS 15 HE1 LYS 15 57.539 -11.043 5.652 121 HZ1 LYS 15 HZ1 LYS 15 56.384 -12.779 4.404 122 HZ2 LYS 15 HZ2 LYS 15 56.338 -11.815 3.033 123 HZ3 LYS 15 HZ3 LYS 15 55.505 -11.354 4.416 124 H SER 16 HN SER 16 54.756 -6.655 1.274 125 HA SER 16 HA SER 16 54.656 -3.879 1.088 126 HB2 SER 16 HB2 SER 16 52.273 -4.499 0.228 127 HB3 SER 16 HB1 SER 16 53.700 -4.979 -0.694 128 HG SER 16 HG SER 16 53.351 -6.973 -0.248 129 H GLU 17 HN GLU 17 53.282 -6.100 3.298 130 HA GLU 17 HA GLU 17 51.312 -4.377 4.480 131 HB2 GLU 17 HB2 GLU 17 51.223 -6.169 6.186 132 HB3 GLU 17 HB1 GLU 17 51.053 -6.769 4.536 133 HG2 GLU 17 HG2 GLU 17 53.295 -7.558 4.493 134 HG3 GLU 17 HG1 GLU 17 53.668 -6.741 6.006 135 H ARG 18 HN ARG 18 54.723 -4.578 4.734 136 HA ARG 18 HA ARG 18 54.713 -3.586 7.504 137 HB2 ARG 18 HB2 ARG 18 55.574 -5.942 6.945 138 HB3 ARG 18 HB1 ARG 18 56.897 -5.139 6.132 139 HG2 ARG 18 HG2 ARG 18 57.648 -4.183 8.173 140 HG3 ARG 18 HG1 ARG 18 56.244 -4.809 9.054 141 HD2 ARG 18 HD2 ARG 18 56.963 -7.113 8.352 142 HD3 ARG 18 HD1 ARG 18 58.443 -6.410 7.733 143 HE ARG 18 HE ARG 18 58.198 -5.572 10.367 144 HH11 ARG 18 HH11 ARG 18 58.662 -8.672 8.653 145 HH12 ARG 18 HH12 ARG 18 59.371 -9.443 9.966 146 HH21 ARG 18 HH21 ARG 18 59.234 -6.695 12.204 147 HH22 ARG 18 HH22 ARG 18 59.680 -8.315 12.024 148 H ILE 19 HN ILE 19 54.703 -2.365 4.687 149 HA ILE 19 HA ILE 19 57.188 -1.280 4.046 150 HB ILE 19 HB ILE 19 54.405 -0.362 3.323 151 HG12 ILE 19 HG12 ILE 19 55.155 -2.462 2.370 152 HG13 ILE 19 HG11 ILE 19 54.957 -1.246 1.106 153 HG21 ILE 19 HG21 ILE 19 55.459 1.090 1.575 154 HG22 ILE 19 HG22 ILE 19 56.985 0.890 2.461 155 HG23 ILE 19 HG23 ILE 19 55.610 1.656 3.239 156 HD11 ILE 19 HD11 ILE 19 56.932 -2.583 0.701 157 HD12 ILE 19 HD12 ILE 19 57.547 -2.238 2.309 158 HD13 ILE 19 HD13 ILE 19 57.420 -0.941 1.118 159 H SER 20 HN SER 20 54.622 0.180 6.042 160 HA SER 20 HA SER 20 55.899 2.640 6.353 161 HB2 SER 20 HB2 SER 20 54.002 1.252 8.247 162 HB3 SER 20 HB1 SER 20 54.355 2.986 8.207 163 HG SER 20 HG SER 20 53.637 2.846 5.940 164 H ASP 21 HN ASP 21 56.303 -0.387 7.999 165 HA ASP 21 HA ASP 21 57.886 0.568 10.192 166 HB2 ASP 21 HB2 ASP 21 57.756 -2.176 8.925 167 HB3 ASP 21 HB1 ASP 21 58.521 -1.803 10.458 168 H ILE 22 HN ILE 22 58.569 -1.145 7.229 169 HA ILE 22 HA ILE 22 61.372 -1.234 7.437 170 HB ILE 22 HB ILE 22 59.626 -1.427 4.974 171 HG12 ILE 22 HG12 ILE 22 60.750 -3.600 6.739 172 HG13 ILE 22 HG11 ILE 22 59.100 -3.001 6.822 173 HG21 ILE 22 HG21 ILE 22 62.471 -2.372 5.409 174 HG22 ILE 22 HG22 ILE 22 61.980 -1.008 4.405 175 HG23 ILE 22 HG23 ILE 22 61.498 -2.643 3.961 176 HD11 ILE 22 HD11 ILE 22 59.138 -5.040 5.584 177 HD12 ILE 22 HD12 ILE 22 60.430 -4.421 4.567 178 HD13 ILE 22 HD13 ILE 22 58.811 -3.714 4.457 179 H SER 23 HN SER 23 59.278 1.014 5.635 180 HA SER 23 HA SER 23 61.349 2.406 4.376 181 HB2 SER 23 HB2 SER 23 58.969 2.476 3.672 182 HB3 SER 23 HB1 SER 23 58.585 3.411 5.114 183 HG SER 23 HG SER 23 58.967 5.008 3.824 184 H THR 24 HN THR 24 59.885 2.834 7.559 185 HA THR 24 HA THR 24 61.053 5.412 7.968 186 HB THR 24 HB THR 24 59.904 3.493 10.030 187 HG1 THR 24 HG1 THR 24 58.130 3.889 8.979 188 HG21 THR 24 HG21 THR 24 59.515 5.506 11.345 189 HG22 THR 24 HG22 THR 24 60.160 6.511 10.051 190 HG23 THR 24 HG23 THR 24 61.228 5.416 10.925 191 H GLN 25 HN GLN 25 61.775 2.097 8.660 192 HA GLN 25 HA GLN 25 64.047 2.423 10.243 193 HB2 GLN 25 HB2 GLN 25 62.646 0.369 8.781 194 HB3 GLN 25 HB1 GLN 25 64.340 0.023 8.873 195 HG2 GLN 25 HG2 GLN 25 64.209 0.209 11.334 196 HG3 GLN 25 HG1 GLN 25 62.500 0.606 11.191 197 HE21 GLN 25 HE21 GLN 25 61.984 -1.287 9.115 198 HE22 GLN 25 HE22 GLN 25 62.004 -2.854 9.836 199 H LEU 26 HN LEU 26 63.645 2.053 6.667 200 HA LEU 26 HA LEU 26 66.347 2.067 6.078 201 HB2 LEU 26 HB2 LEU 26 64.052 2.979 4.284 202 HB3 LEU 26 HB1 LEU 26 65.664 2.543 3.874 203 HG LEU 26 HG LEU 26 63.687 0.621 5.071 204 HD11 LEU 26 HD11 LEU 26 64.618 0.835 2.221 205 HD12 LEU 26 HD12 LEU 26 63.043 1.337 2.825 206 HD13 LEU 26 HD13 LEU 26 63.506 -0.365 2.880 207 HD21 LEU 26 HD21 LEU 26 65.332 -1.089 4.362 208 HD22 LEU 26 HD22 LEU 26 65.930 -0.001 5.611 209 HD23 LEU 26 HD23 LEU 26 66.441 0.219 3.933 210 H ASN 27 HN ASN 27 63.951 4.630 6.256 211 HA ASN 27 HA ASN 27 65.612 6.751 5.424 212 HB2 ASN 27 HB2 ASN 27 63.074 6.601 6.964 213 HB3 ASN 27 HB1 ASN 27 63.859 8.169 6.718 214 HD21 ASN 27 HD21 ASN 27 61.268 7.225 5.788 215 HD22 ASN 27 HD22 ASN 27 61.319 7.313 4.076 216 H ALA 28 HN ALA 28 65.700 5.007 8.298 217 HA ALA 28 HA ALA 28 66.529 7.179 9.989 218 HB1 ALA 28 HB1 ALA 28 65.289 5.272 10.911 219 HB2 ALA 28 HB2 ALA 28 66.856 5.477 11.697 220 HB3 ALA 28 HB3 ALA 28 66.628 4.207 10.494 221 H PHE 29 HN PHE 29 68.111 4.874 7.847 222 HA PHE 29 HA PHE 29 70.575 4.908 9.141 223 HB2 PHE 29 HB2 PHE 29 69.782 4.152 6.328 224 HB3 PHE 29 HB1 PHE 29 71.322 3.831 7.104 225 HD1 PHE 29 HD2 PHE 29 70.821 2.729 9.619 226 HD2 PHE 29 HD1 PHE 29 68.526 2.311 6.079 227 HE1 PHE 29 HE2 PHE 29 69.916 0.606 10.474 228 HE2 PHE 29 HE1 PHE 29 67.610 0.175 6.916 229 HZ PHE 29 HZ PHE 29 68.302 -0.677 9.108 230 HA PRO 30 HA PRO 30 72.278 8.756 7.907 231 HB2 PRO 30 HB2 PRO 30 74.808 7.445 7.128 232 HB3 PRO 30 HB1 PRO 30 74.507 8.652 8.379 233 HG2 PRO 30 HG2 PRO 30 75.019 6.095 9.000 234 HG3 PRO 30 HG1 PRO 30 73.873 7.066 9.938 235 HD2 PRO 30 HD2 PRO 30 73.339 4.987 7.855 236 HD3 PRO 30 HD1 PRO 30 72.510 5.283 9.397 237 H GLY 31 HN GLY 31 71.333 9.521 6.114 238 HA2 GLY 31 HA2 GLY 31 71.540 10.445 3.997 239 HA3 GLY 31 HA1 GLY 31 72.874 9.356 3.661 240 H CYS 32 HN CYS 32 70.461 7.536 4.899 241 HA CYS 32 HA CYS 32 69.731 6.579 2.264 242 HB2 CYS 32 HB2 CYS 32 70.545 5.010 3.897 243 HB3 CYS 32 HB1 CYS 32 69.304 5.530 5.041 244 HG CYS 32 HG CYS 32 67.607 3.896 4.390 245 H GLU 33 HN GLU 33 67.931 7.277 1.380 246 HA GLU 33 HA GLU 33 65.616 7.700 3.078 247 HB2 GLU 33 HB2 GLU 33 66.659 9.935 2.801 248 HB3 GLU 33 HB1 GLU 33 66.500 9.767 1.060 249 HG2 GLU 33 HG2 GLU 33 64.066 9.649 1.292 250 HG3 GLU 33 HG1 GLU 33 64.239 9.845 3.032 251 H VAL 34 HN VAL 34 63.847 7.022 2.278 252 HA VAL 34 HA VAL 34 63.765 5.541 -0.196 253 HB VAL 34 HB VAL 34 61.464 6.202 1.656 254 HG11 VAL 34 HG11 VAL 34 61.860 3.919 -0.264 255 HG12 VAL 34 HG12 VAL 34 60.785 5.301 -0.481 256 HG13 VAL 34 HG13 VAL 34 60.476 4.138 0.806 257 HG21 VAL 34 HG21 VAL 34 63.329 3.825 1.867 258 HG22 VAL 34 HG22 VAL 34 61.893 4.120 2.844 259 HG23 VAL 34 HG23 VAL 34 63.276 5.211 2.955 260 H ALA 35 HN ALA 35 62.948 6.238 -2.055 261 HA ALA 35 HA ALA 35 61.862 8.953 -2.140 262 HB1 ALA 35 HB1 ALA 35 63.840 8.576 -3.539 263 HB2 ALA 35 HB2 ALA 35 62.424 8.919 -4.538 264 HB3 ALA 35 HB3 ALA 35 63.009 7.263 -4.369 265 H VAL 36 HN VAL 36 61.408 6.076 -4.169 266 HA VAL 36 HA VAL 36 58.567 6.733 -4.299 267 HB VAL 36 HB VAL 36 60.126 4.722 -5.961 268 HG11 VAL 36 HG11 VAL 36 57.372 5.877 -6.366 269 HG12 VAL 36 HG12 VAL 36 57.745 4.227 -5.868 270 HG13 VAL 36 HG13 VAL 36 58.203 4.791 -7.477 271 HG21 VAL 36 HG21 VAL 36 60.018 6.398 -7.760 272 HG22 VAL 36 HG22 VAL 36 60.952 6.960 -6.370 273 HG23 VAL 36 HG23 VAL 36 59.308 7.543 -6.621 274 H SER 37 HN SER 37 57.069 5.426 -3.383 275 HA SER 37 HA SER 37 58.025 2.894 -2.273 276 HB2 SER 37 HB2 SER 37 55.967 4.709 -1.029 277 HB3 SER 37 HB1 SER 37 56.723 3.270 -0.323 278 HG SER 37 HG SER 37 58.671 4.813 -1.050 279 H ASP 38 HN ASP 38 57.012 1.294 -3.279 280 HA ASP 38 HA ASP 38 54.311 1.786 -4.332 281 HB2 ASP 38 HB2 ASP 38 56.262 -0.365 -5.171 282 HB3 ASP 38 HB1 ASP 38 54.666 -0.211 -5.800 283 H ALA 39 HN ALA 39 53.212 1.352 -2.492 284 HA ALA 39 HA ALA 39 53.595 -0.861 -0.844 285 HB1 ALA 39 HB1 ALA 39 52.241 1.044 -0.175 286 HB2 ALA 39 HB2 ALA 39 51.354 -0.470 0.021 287 HB3 ALA 39 HB3 ALA 39 51.000 0.587 -1.346 288 HA PRO 40 HA PRO 40 50.196 -3.190 -3.791 289 HB2 PRO 40 HB2 PRO 40 51.064 -2.813 -6.409 290 HB3 PRO 40 HB1 PRO 40 49.680 -1.979 -5.684 291 HG2 PRO 40 HG2 PRO 40 52.543 -1.092 -5.805 292 HG3 PRO 40 HG1 PRO 40 51.148 -0.156 -6.331 293 HD2 PRO 40 HD2 PRO 40 52.073 0.388 -4.006 294 HD3 PRO 40 HD1 PRO 40 50.345 -0.035 -4.036 295 H SER 41 HN SER 41 53.544 -2.524 -4.743 296 HA SER 41 HA SER 41 54.014 -5.310 -5.429 297 HB2 SER 41 HB2 SER 41 55.939 -3.001 -5.508 298 HB3 SER 41 HB1 SER 41 56.004 -4.503 -6.437 299 HG SER 41 HG SER 41 54.013 -3.828 -7.399 300 H GLY 42 HN GLY 42 54.740 -2.952 -2.950 301 HA2 GLY 42 HA2 GLY 42 55.690 -3.285 -0.867 302 HA3 GLY 42 HA1 GLY 42 56.140 -4.924 -1.350 303 H GLN 43 HN GLN 43 56.761 -2.193 -3.371 304 HA GLN 43 HA GLN 43 59.614 -2.813 -3.222 305 HB2 GLN 43 HB2 GLN 43 58.233 -2.876 -5.414 306 HB3 GLN 43 HB1 GLN 43 58.176 -1.147 -5.232 307 HG2 GLN 43 HG2 GLN 43 60.588 -0.969 -5.313 308 HG3 GLN 43 HG1 GLN 43 60.721 -2.721 -5.482 309 HE21 GLN 43 HE21 GLN 43 58.274 -0.696 -7.012 310 HE22 GLN 43 HE22 GLN 43 58.786 -1.002 -8.609 311 H LEU 44 HN LEU 44 60.962 -1.334 -2.459 312 HA LEU 44 HA LEU 44 60.029 1.433 -2.206 313 HB2 LEU 44 HB2 LEU 44 61.811 -0.093 -0.301 314 HB3 LEU 44 HB1 LEU 44 61.423 1.613 -0.194 315 HG LEU 44 HG LEU 44 59.365 -0.576 0.007 316 HD11 LEU 44 HD11 LEU 44 60.733 1.000 2.182 317 HD12 LEU 44 HD12 LEU 44 60.938 -0.725 1.851 318 HD13 LEU 44 HD13 LEU 44 59.378 -0.114 2.402 319 HD21 LEU 44 HD21 LEU 44 57.963 1.208 0.871 320 HD22 LEU 44 HD22 LEU 44 58.525 1.570 -0.746 321 HD23 LEU 44 HD23 LEU 44 59.273 2.363 0.643 322 H ILE 45 HN ILE 45 61.160 2.721 -3.436 323 HA ILE 45 HA ILE 45 63.815 1.938 -4.349 324 HB ILE 45 HB ILE 45 62.004 4.271 -5.063 325 HG12 ILE 45 HG12 ILE 45 61.379 2.106 -6.059 326 HG13 ILE 45 HG11 ILE 45 61.882 3.269 -7.280 327 HG21 ILE 45 HG21 ILE 45 64.769 3.728 -6.140 328 HG22 ILE 45 HG22 ILE 45 64.289 5.086 -5.126 329 HG23 ILE 45 HG23 ILE 45 63.650 4.939 -6.769 330 HD11 ILE 45 HD11 ILE 45 62.782 1.089 -7.798 331 HD12 ILE 45 HD12 ILE 45 63.511 0.982 -6.199 332 HD13 ILE 45 HD13 ILE 45 64.096 2.182 -7.350 333 H VAL 46 HN VAL 46 65.459 2.501 -3.184 334 HA VAL 46 HA VAL 46 65.216 4.856 -1.458 335 HB VAL 46 HB VAL 46 66.840 2.311 -1.010 336 HG11 VAL 46 HG11 VAL 46 68.069 4.274 -0.222 337 HG12 VAL 46 HG12 VAL 46 67.510 3.287 1.125 338 HG13 VAL 46 HG13 VAL 46 66.665 4.779 0.717 339 HG21 VAL 46 HG21 VAL 46 64.554 1.910 -0.441 340 HG22 VAL 46 HG22 VAL 46 64.439 3.480 0.333 341 HG23 VAL 46 HG23 VAL 46 65.390 2.231 1.097 342 H VAL 47 HN VAL 47 66.798 6.355 -1.582 343 HA VAL 47 HA VAL 47 69.057 5.719 -3.333 344 HB VAL 47 HB VAL 47 67.866 8.488 -2.908 345 HG11 VAL 47 HG11 VAL 47 70.241 8.518 -3.351 346 HG12 VAL 47 HG12 VAL 47 69.346 9.177 -4.723 347 HG13 VAL 47 HG13 VAL 47 70.007 7.548 -4.802 348 HG21 VAL 47 HG21 VAL 47 67.087 8.367 -5.247 349 HG22 VAL 47 HG22 VAL 47 66.320 7.146 -4.235 350 HG23 VAL 47 HG23 VAL 47 67.625 6.689 -5.330 351 H VAL 48 HN VAL 48 70.807 5.559 -2.210 352 HA VAL 48 HA VAL 48 70.862 6.793 0.425 353 HB VAL 48 HB VAL 48 72.666 4.644 -0.723 354 HG11 VAL 48 HG11 VAL 48 73.773 5.987 0.996 355 HG12 VAL 48 HG12 VAL 48 73.457 4.350 1.573 356 HG13 VAL 48 HG13 VAL 48 72.434 5.684 2.102 357 HG21 VAL 48 HG21 VAL 48 70.395 4.404 1.254 358 HG22 VAL 48 HG22 VAL 48 71.496 3.106 0.792 359 HG23 VAL 48 HG23 VAL 48 70.408 3.801 -0.406 360 H GLU 49 HN GLU 49 72.002 8.450 0.744 361 HA GLU 49 HA GLU 49 73.950 9.400 -1.228 362 HB2 GLU 49 HB2 GLU 49 72.209 10.711 0.839 363 HB3 GLU 49 HB1 GLU 49 73.487 11.557 -0.008 364 HG2 GLU 49 HG2 GLU 49 72.465 11.494 -1.946 365 HG3 GLU 49 HG1 GLU 49 71.321 10.177 -1.542 366 H ALA 50 HN ALA 50 76.052 9.162 -0.524 367 HA ALA 50 HA ALA 50 76.633 9.910 2.170 368 HB1 ALA 50 HB1 ALA 50 77.986 7.904 2.653 369 HB2 ALA 50 HB2 ALA 50 77.490 7.202 1.117 370 HB3 ALA 50 HB3 ALA 50 76.295 7.477 2.384 371 H GLU 51 HN GLU 51 78.899 10.415 2.419 372 HA GLU 51 HA GLU 51 79.855 11.550 -0.026 373 HB2 GLU 51 HB2 GLU 51 79.785 12.653 2.274 374 HB3 GLU 51 HB1 GLU 51 81.183 11.667 2.670 375 HG2 GLU 51 HG2 GLU 51 81.800 13.931 1.995 376 HG3 GLU 51 HG1 GLU 51 82.463 12.708 0.915 377 H ASP 52 HN ASP 52 80.922 9.050 2.218 378 HA ASP 52 HA ASP 52 83.139 8.482 0.374 379 HB2 ASP 52 HB2 ASP 52 82.790 7.700 3.255 380 HB3 ASP 52 HB1 ASP 52 83.974 6.934 2.204 381 H SER 53 HN SER 53 83.622 6.426 -0.319 382 HA SER 53 HA SER 53 81.520 4.924 -1.273 383 HB2 SER 53 HB2 SER 53 84.345 3.980 -0.820 384 HB3 SER 53 HB1 SER 53 83.243 3.530 -2.125 385 HG SER 53 HG SER 53 83.695 5.304 -3.154 386 H GLU 54 HN GLU 54 83.628 4.467 1.525 387 HA GLU 54 HA GLU 54 82.724 1.886 2.265 388 HB2 GLU 54 HB2 GLU 54 83.954 2.339 4.361 389 HB3 GLU 54 HB1 GLU 54 84.901 2.779 2.945 390 HG2 GLU 54 HG2 GLU 54 84.055 5.148 3.308 391 HG3 GLU 54 HG1 GLU 54 83.493 4.590 4.876 392 H THR 55 HN THR 55 81.821 5.154 3.243 393 HA THR 55 HA THR 55 80.051 4.497 5.304 394 HB THR 55 HB THR 55 79.980 6.911 3.481 395 HG1 THR 55 HG1 THR 55 81.744 6.137 5.566 396 HG21 THR 55 HG21 THR 55 79.409 6.569 6.436 397 HG22 THR 55 HG22 THR 55 78.182 6.718 5.174 398 HG23 THR 55 HG23 THR 55 79.267 8.069 5.519 399 H LEU 56 HN LEU 56 79.774 4.852 1.829 400 HA LEU 56 HA LEU 56 76.975 4.701 1.638 401 HB2 LEU 56 HB2 LEU 56 78.658 5.455 -0.127 402 HB3 LEU 56 HB1 LEU 56 78.968 3.758 -0.418 403 HG LEU 56 HG LEU 56 76.543 3.496 -1.006 404 HD11 LEU 56 HD11 LEU 56 76.610 6.502 -0.873 405 HD12 LEU 56 HD12 LEU 56 75.653 5.428 0.150 406 HD13 LEU 56 HD13 LEU 56 75.313 5.549 -1.577 407 HD21 LEU 56 HD21 LEU 56 78.237 3.691 -2.741 408 HD22 LEU 56 HD22 LEU 56 78.158 5.450 -2.639 409 HD23 LEU 56 HD23 LEU 56 76.768 4.540 -3.223 410 H ILE 57 HN ILE 57 79.556 2.244 1.296 411 HA ILE 57 HA ILE 57 77.971 -0.012 0.808 412 HB ILE 57 HB ILE 57 80.607 0.079 2.320 413 HG12 ILE 57 HG12 ILE 57 80.065 -0.385 -0.621 414 HG13 ILE 57 HG11 ILE 57 80.749 1.076 0.071 415 HG21 ILE 57 HG21 ILE 57 79.456 -2.041 2.684 416 HG22 ILE 57 HG22 ILE 57 80.866 -2.279 1.654 417 HG23 ILE 57 HG23 ILE 57 79.254 -2.250 0.943 418 HD11 ILE 57 HD11 ILE 57 82.699 -0.185 0.809 419 HD12 ILE 57 HD12 ILE 57 82.465 -0.303 -0.934 420 HD13 ILE 57 HD13 ILE 57 82.017 -1.651 0.107 421 H GLN 58 HN GLN 58 79.122 1.309 3.919 422 HA GLN 58 HA GLN 58 78.122 -0.590 5.617 423 HB2 GLN 58 HB2 GLN 58 79.703 0.962 6.383 424 HB3 GLN 58 HB1 GLN 58 78.773 2.329 5.804 425 HG2 GLN 58 HG2 GLN 58 78.749 2.237 8.185 426 HG3 GLN 58 HG1 GLN 58 77.152 1.952 7.475 427 HE21 GLN 58 HE21 GLN 58 76.474 1.040 9.410 428 HE22 GLN 58 HE22 GLN 58 76.921 -0.562 9.885 429 H THR 59 HN THR 59 76.587 2.306 4.282 430 HA THR 59 HA THR 59 74.224 1.949 5.796 431 HB THR 59 HB THR 59 74.622 3.658 3.327 432 HG1 THR 59 HG1 THR 59 76.110 4.433 4.713 433 HG21 THR 59 HG21 THR 59 72.272 3.359 4.091 434 HG22 THR 59 HG22 THR 59 72.842 5.013 4.317 435 HG23 THR 59 HG23 THR 59 72.760 3.915 5.695 436 H ILE 60 HN ILE 60 75.250 0.978 2.548 437 HA ILE 60 HA ILE 60 72.744 0.032 1.647 438 HB ILE 60 HB ILE 60 75.524 -0.962 0.904 439 HG12 ILE 60 HG12 ILE 60 73.698 0.987 -0.534 440 HG13 ILE 60 HG11 ILE 60 75.105 1.439 0.419 441 HG21 ILE 60 HG21 ILE 60 74.462 -1.878 -1.128 442 HG22 ILE 60 HG22 ILE 60 72.878 -1.432 -0.485 443 HG23 ILE 60 HG23 ILE 60 73.854 -2.639 0.341 444 HD11 ILE 60 HD11 ILE 60 76.544 0.233 -1.135 445 HD12 ILE 60 HD12 ILE 60 75.596 1.480 -1.950 446 HD13 ILE 60 HD13 ILE 60 75.131 -0.216 -2.094 447 H GLU 61 HN GLU 61 75.405 -1.623 3.359 448 HA GLU 61 HA GLU 61 74.007 -4.057 3.565 449 HB2 GLU 61 HB2 GLU 61 76.291 -3.003 5.230 450 HB3 GLU 61 HB1 GLU 61 75.562 -4.574 5.508 451 HG2 GLU 61 HG2 GLU 61 76.073 -5.048 3.049 452 HG3 GLU 61 HG1 GLU 61 77.115 -3.634 3.128 453 H SER 62 HN SER 62 73.957 -1.206 5.550 454 HA SER 62 HA SER 62 72.586 -2.127 7.773 455 HB2 SER 62 HB2 SER 62 72.547 0.432 6.266 456 HB3 SER 62 HB1 SER 62 71.684 0.245 7.777 457 HG SER 62 HG SER 62 74.500 0.010 7.267 458 H VAL 63 HN VAL 63 71.399 -1.037 4.655 459 HA VAL 63 HA VAL 63 68.650 -1.226 5.143 460 HB VAL 63 HB VAL 63 70.386 -1.298 2.726 461 HG11 VAL 63 HG11 VAL 63 67.325 -1.182 2.760 462 HG12 VAL 63 HG12 VAL 63 68.295 -2.513 2.124 463 HG13 VAL 63 HG13 VAL 63 68.320 -0.944 1.321 464 HG21 VAL 63 HG21 VAL 63 68.561 0.803 3.861 465 HG22 VAL 63 HG22 VAL 63 69.442 0.969 2.340 466 HG23 VAL 63 HG23 VAL 63 70.320 0.788 3.860 467 H ARG 64 HN ARG 64 71.035 -3.585 4.064 468 HA ARG 64 HA ARG 64 69.114 -5.637 3.448 469 HB2 ARG 64 HB2 ARG 64 72.052 -6.047 4.029 470 HB3 ARG 64 HB1 ARG 64 70.992 -7.110 3.116 471 HG2 ARG 64 HG2 ARG 64 70.766 -5.192 1.452 472 HG3 ARG 64 HG1 ARG 64 72.103 -4.436 2.313 473 HD2 ARG 64 HD2 ARG 64 72.106 -7.072 0.860 474 HD3 ARG 64 HD1 ARG 64 72.961 -5.602 0.408 475 HE ARG 64 HE ARG 64 73.615 -6.865 2.956 476 HH11 ARG 64 HH11 ARG 64 74.624 -6.026 -0.328 477 HH12 ARG 64 HH12 ARG 64 76.200 -6.603 -0.131 478 HH21 ARG 64 HH21 ARG 64 75.777 -7.682 3.209 479 HH22 ARG 64 HH22 ARG 64 76.877 -7.570 1.917 480 H ASN 65 HN ASN 65 70.305 -4.381 6.284 481 HA ASN 65 HA ASN 65 70.150 -6.802 7.864 482 HB2 ASN 65 HB2 ASN 65 71.003 -4.001 8.396 483 HB3 ASN 65 HB1 ASN 65 70.415 -4.946 9.754 484 HD21 ASN 65 HD21 ASN 65 72.851 -4.791 7.246 485 HD22 ASN 65 HD22 ASN 65 73.983 -5.813 8.029 486 H VAL 66 HN VAL 66 67.868 -4.912 6.567 487 HA VAL 66 HA VAL 66 66.164 -4.889 8.910 488 HB VAL 66 HB VAL 66 65.529 -4.031 6.071 489 HG11 VAL 66 HG11 VAL 66 63.519 -4.688 7.271 490 HG12 VAL 66 HG12 VAL 66 63.553 -2.921 7.113 491 HG13 VAL 66 HG13 VAL 66 63.988 -3.693 8.639 492 HG21 VAL 66 HG21 VAL 66 67.212 -2.607 7.086 493 HG22 VAL 66 HG22 VAL 66 66.209 -2.410 8.520 494 HG23 VAL 66 HG23 VAL 66 65.674 -1.742 6.975 495 H GLU 67 HN GLU 67 64.528 -6.177 9.310 496 HA GLU 67 HA GLU 67 64.673 -8.849 8.510 497 HB2 GLU 67 HB2 GLU 67 62.638 -7.310 10.064 498 HB3 GLU 67 HB1 GLU 67 62.822 -9.062 10.033 499 HG2 GLU 67 HG2 GLU 67 65.044 -7.345 10.540 500 HG3 GLU 67 HG1 GLU 67 63.959 -7.653 11.928 501 H GLY 68 HN GLY 68 62.485 -6.239 7.739 502 HA2 GLY 68 HA2 GLY 68 60.556 -7.938 6.487 503 HA3 GLY 68 HA1 GLY 68 60.581 -6.183 6.471 504 H VAL 69 HN VAL 69 63.557 -7.066 5.501 505 HA VAL 69 HA VAL 69 62.798 -6.516 2.748 506 HB VAL 69 HB VAL 69 65.630 -6.827 3.858 507 HG11 VAL 69 HG11 VAL 69 64.701 -5.856 1.180 508 HG12 VAL 69 HG12 VAL 69 65.557 -7.363 1.517 509 HG13 VAL 69 HG13 VAL 69 66.353 -5.815 1.795 510 HG21 VAL 69 HG21 VAL 69 64.379 -4.920 4.765 511 HG22 VAL 69 HG22 VAL 69 64.076 -4.358 3.124 512 HG23 VAL 69 HG23 VAL 69 65.727 -4.417 3.744 513 H LEU 70 HN LEU 70 62.555 -7.918 1.226 514 HA LEU 70 HA LEU 70 63.126 -10.723 1.746 515 HB2 LEU 70 HB2 LEU 70 61.658 -9.363 -0.519 516 HB3 LEU 70 HB1 LEU 70 61.784 -11.095 -0.286 517 HG LEU 70 HG LEU 70 60.392 -9.210 1.614 518 HD11 LEU 70 HD11 LEU 70 58.328 -10.169 0.736 519 HD12 LEU 70 HD12 LEU 70 59.255 -11.094 -0.442 520 HD13 LEU 70 HD13 LEU 70 59.232 -9.332 -0.526 521 HD21 LEU 70 HD21 LEU 70 61.251 -11.222 2.700 522 HD22 LEU 70 HD22 LEU 70 60.473 -12.224 1.474 523 HD23 LEU 70 HD23 LEU 70 59.491 -11.266 2.580 524 H ALA 71 HN ALA 71 63.570 -8.341 -0.859 525 HA ALA 71 HA ALA 71 66.188 -9.480 -1.448 526 HB1 ALA 71 HB1 ALA 71 64.665 -10.609 -3.010 527 HB2 ALA 71 HB2 ALA 71 65.705 -9.460 -3.867 528 HB3 ALA 71 HB3 ALA 71 64.037 -9.044 -3.528 529 H VAL 72 HN VAL 72 67.520 -7.782 -1.386 530 HA VAL 72 HA VAL 72 66.466 -5.282 -2.420 531 HB VAL 72 HB VAL 72 66.811 -4.853 -0.119 532 HG11 VAL 72 HG11 VAL 72 68.178 -6.773 0.438 533 HG12 VAL 72 HG12 VAL 72 68.826 -5.296 1.110 534 HG13 VAL 72 HG13 VAL 72 69.588 -6.021 -0.322 535 HG21 VAL 72 HG21 VAL 72 69.227 -3.778 -1.574 536 HG22 VAL 72 HG22 VAL 72 68.579 -3.146 -0.061 537 HG23 VAL 72 HG23 VAL 72 67.623 -3.050 -1.542 538 H SER 73 HN SER 73 67.122 -4.812 -4.246 539 HA SER 73 HA SER 73 69.592 -5.896 -5.324 540 HB2 SER 73 HB2 SER 73 67.413 -4.315 -6.636 541 HB3 SER 73 HB1 SER 73 68.642 -5.294 -7.447 542 HG SER 73 HG SER 73 67.641 -7.003 -5.940 543 H LEU 74 HN LEU 74 71.266 -4.596 -6.001 544 HA LEU 74 HA LEU 74 71.220 -1.845 -5.044 545 HB2 LEU 74 HB2 LEU 74 72.963 -3.721 -4.479 546 HB3 LEU 74 HB1 LEU 74 73.614 -3.344 -6.056 547 HG LEU 74 HG LEU 74 73.449 -1.491 -3.670 548 HD11 LEU 74 HD11 LEU 74 75.797 -2.788 -5.017 549 HD12 LEU 74 HD12 LEU 74 75.153 -3.150 -3.416 550 HD13 LEU 74 HD13 LEU 74 75.888 -1.578 -3.740 551 HD21 LEU 74 HD21 LEU 74 74.767 0.091 -4.999 552 HD22 LEU 74 HD22 LEU 74 73.177 -0.208 -5.704 553 HD23 LEU 74 HD23 LEU 74 74.605 -0.974 -6.400 554 H VAL 75 HN VAL 75 70.571 -0.506 -6.615 555 HA VAL 75 HA VAL 75 71.075 -1.115 -9.405 556 HB VAL 75 HB VAL 75 69.521 1.108 -8.060 557 HG11 VAL 75 HG11 VAL 75 69.801 0.548 -11.021 558 HG12 VAL 75 HG12 VAL 75 70.434 1.957 -10.174 559 HG13 VAL 75 HG13 VAL 75 68.690 1.717 -10.307 560 HG21 VAL 75 HG21 VAL 75 68.485 -1.064 -7.920 561 HG22 VAL 75 HG22 VAL 75 68.642 -1.273 -9.665 562 HG23 VAL 75 HG23 VAL 75 67.579 -0.022 -9.019 563 H TYR 76 HN TYR 76 71.899 1.146 -6.983 564 HA TYR 76 HA TYR 76 73.495 2.708 -6.690 565 HB2 TYR 76 HB2 TYR 76 75.051 0.851 -7.356 566 HB3 TYR 76 HB1 TYR 76 74.967 1.406 -9.015 567 HD1 TYR 76 HD2 TYR 76 76.196 2.186 -5.635 568 HD2 TYR 76 HD1 TYR 76 76.303 3.287 -9.736 569 HE1 TYR 76 HE2 TYR 76 78.145 3.610 -5.194 570 HE2 TYR 76 HE1 TYR 76 78.257 4.709 -9.305 571 HH TYR 76 HH TYR 76 80.006 4.523 -6.400 572 H HIS 77 HN HIS 77 74.107 2.560 -10.109 573 HA HIS 77 HA HIS 77 72.268 4.586 -10.794 574 HB2 HIS 77 HB2 HIS 77 74.094 5.991 -9.760 575 HB3 HIS 77 HB1 HIS 77 75.222 5.310 -10.933 576 HD1 HIS 77 HD1 HIS 77 75.601 6.887 -12.863 577 HD2 HIS 77 HD2 HIS 77 71.765 7.206 -11.278 578 HE1 HIS 77 HE1 HIS 77 74.420 8.659 -14.215 579 H GLN 78 HN GLN 78 71.603 3.331 -12.374 580 HA GLN 78 HA GLN 78 73.523 2.049 -14.082 581 HB2 GLN 78 HB2 GLN 78 70.534 1.827 -13.828 582 HB3 GLN 78 HB1 GLN 78 71.416 1.093 -15.167 583 HG2 GLN 78 HG2 GLN 78 72.673 -0.278 -13.671 584 HG3 GLN 78 HG1 GLN 78 72.037 0.579 -12.275 585 HE21 GLN 78 HE21 GLN 78 71.369 -1.367 -11.420 586 HE22 GLN 78 HE22 GLN 78 69.952 -2.179 -11.976 587 H GLN 79 HN GLN 79 74.449 3.531 -15.162 588 HA GLN 79 HA GLN 79 73.041 5.593 -16.536 589 HB2 GLN 79 HB2 GLN 79 75.264 6.265 -17.411 590 HB3 GLN 79 HB1 GLN 79 75.255 6.136 -15.673 591 HG2 GLN 79 HG2 GLN 79 76.375 4.037 -17.533 592 HG3 GLN 79 HG1 GLN 79 77.329 5.290 -16.754 593 HE21 GLN 79 HE21 GLN 79 77.690 5.152 -14.518 594 HE22 GLN 79 HE22 GLN 79 77.421 3.681 -13.658 595 H GLU 80 HN GLU 80 72.924 5.836 -18.718 596 HA GLU 80 HA GLU 80 72.344 5.251 -20.787 597 HB2 GLU 80 HB2 GLU 80 74.689 4.459 -21.028 598 HB3 GLU 80 HB1 GLU 80 74.182 2.861 -20.495 599 HG2 GLU 80 HG2 GLU 80 72.632 2.750 -22.430 600 HG3 GLU 80 HG1 GLU 80 73.283 4.289 -22.993 601 H GLU 81 HN GLU 81 70.289 4.897 -20.530 602 HA GLU 81 HA GLU 81 69.207 2.476 -19.473 603 HB2 GLU 81 HB2 GLU 81 68.087 4.753 -19.495 604 HB3 GLU 81 HB1 GLU 81 67.857 4.530 -21.218 605 HG2 GLU 81 HG2 GLU 81 66.514 2.541 -20.771 606 HG3 GLU 81 HG1 GLU 81 66.701 2.823 -19.039 607 H GLN 82 HN GLN 82 69.561 3.908 -22.646 608 HA GLN 82 HA GLN 82 70.081 1.412 -23.909 609 HB2 GLN 82 HB2 GLN 82 68.252 1.577 -25.568 610 HB3 GLN 82 HB1 GLN 82 67.637 1.282 -23.951 611 HG2 GLN 82 HG2 GLN 82 66.947 3.560 -23.731 612 HG3 GLN 82 HG1 GLN 82 67.740 4.000 -25.239 613 HE21 GLN 82 HE21 GLN 82 64.992 2.454 -23.794 614 HE22 GLN 82 HE22 GLN 82 64.051 2.334 -25.216 615 H GLY 83 HN GLY 83 71.111 1.742 -25.875 616 HA2 GLY 83 HA2 GLY 83 71.930 4.451 -26.443 617 HA3 GLY 83 HA1 GLY 83 72.457 2.988 -27.286 618 H GLU 84 HN GLU 84 71.245 5.636 -28.222 619 HA GLU 84 HA GLU 84 69.166 4.397 -29.873 620 HB2 GLU 84 HB2 GLU 84 68.122 5.631 -27.996 621 HB3 GLU 84 HB1 GLU 84 68.949 7.085 -28.525 622 HG2 GLU 84 HG2 GLU 84 67.731 6.824 -30.723 623 HG3 GLU 84 HG1 GLU 84 66.761 5.583 -29.930 624 H GLU 85 HN GLU 85 69.325 4.966 -31.985 625 HA GLU 85 HA GLU 85 70.719 7.417 -32.684 626 HB2 GLU 85 HB2 GLU 85 72.327 5.546 -32.966 627 HB3 GLU 85 HB1 GLU 85 71.178 4.734 -34.022 628 HG2 GLU 85 HG2 GLU 85 71.330 6.644 -35.593 629 HG3 GLU 85 HG1 GLU 85 72.542 7.375 -34.546 630 H THR 86 HN THR 86 69.981 8.291 -34.620 631 HA THR 86 HA THR 86 67.627 7.092 -35.789 632 HB THR 86 HB THR 86 68.088 10.019 -35.096 633 HG1 THR 86 HG1 THR 86 66.418 9.774 -33.677 634 HG21 THR 86 HG21 THR 86 65.721 8.644 -36.370 635 HG22 THR 86 HG22 THR 86 66.836 9.752 -37.174 636 HG23 THR 86 HG23 THR 86 65.777 10.340 -35.894 637 HA PRO 87 HA PRO 87 70.477 7.993 -39.095 638 HB2 PRO 87 HB2 PRO 87 69.141 7.075 -41.126 639 HB3 PRO 87 HB1 PRO 87 69.916 6.004 -39.923 640 HG2 PRO 87 HG2 PRO 87 67.006 6.744 -40.102 641 HG3 PRO 87 HG1 PRO 87 67.724 5.143 -39.830 642 HD2 PRO 87 HD2 PRO 87 66.823 6.732 -37.796 643 HD3 PRO 87 HD1 PRO 87 68.173 5.589 -37.608 644 H ARG 88 HN ARG 88 70.601 9.475 -40.723 645 HA ARG 88 HA ARG 88 68.883 11.690 -40.161 646 HB2 ARG 88 HB2 ARG 88 71.237 11.532 -42.009 647 HB3 ARG 88 HB1 ARG 88 70.478 12.999 -41.402 648 HG2 ARG 88 HG2 ARG 88 71.072 12.258 -39.101 649 HG3 ARG 88 HG1 ARG 88 71.919 10.905 -39.871 650 HD2 ARG 88 HD2 ARG 88 73.442 12.813 -39.306 651 HD3 ARG 88 HD1 ARG 88 73.387 12.478 -41.043 652 HE ARG 88 HE ARG 88 71.467 14.410 -40.211 653 HH11 ARG 88 HH11 ARG 88 74.918 14.128 -40.979 654 HH12 ARG 88 HH12 ARG 88 75.029 15.702 -41.617 655 HH21 ARG 88 HH21 ARG 88 71.649 16.552 -41.143 656 HH22 ARG 88 HH22 ARG 88 73.155 17.093 -41.721 657 H SER 89 HN SER 89 66.941 11.431 -41.099 658 HA SER 89 HA SER 89 66.905 10.991 -43.966 659 HB2 SER 89 HB2 SER 89 64.563 11.030 -42.057 660 HB3 SER 89 HB1 SER 89 64.597 10.433 -43.704 661 HG SER 89 HG SER 89 66.483 9.259 -42.133 662 H HIS 90 HN HIS 90 66.711 12.725 -45.241 663 HA HIS 90 HA HIS 90 65.840 15.211 -44.013 664 HB2 HIS 90 HB2 HIS 90 67.168 14.731 -46.699 665 HB3 HIS 90 HB1 HIS 90 66.696 16.306 -46.078 666 HD1 HIS 90 HD1 HIS 90 68.388 17.500 -44.602 667 HD2 HIS 90 HD2 HIS 90 69.247 13.465 -45.126 668 HE1 HIS 90 HE1 HIS 90 70.642 17.120 -43.575 669 H HIS 91 HN HIS 91 64.925 12.895 -46.434 670 HA HIS 91 HA HIS 91 62.752 14.522 -47.396 671 HB2 HIS 91 HB2 HIS 91 63.906 12.784 -48.829 672 HB3 HIS 91 HB1 HIS 91 63.194 11.541 -47.803 673 HD1 HIS 91 HD1 HIS 91 60.992 10.629 -48.680 674 HD2 HIS 91 HD2 HIS 91 61.833 14.447 -50.109 675 HE1 HIS 91 HE1 HIS 91 59.179 11.186 -50.332 676 H HIS 92 HN HIS 92 63.319 12.146 -44.983 677 HA HIS 92 HA HIS 92 60.487 12.190 -44.245 678 HB2 HIS 92 HB2 HIS 92 62.569 10.110 -43.482 679 HB3 HIS 92 HB1 HIS 92 60.882 10.098 -43.003 680 HD1 HIS 92 HD1 HIS 92 59.267 8.934 -44.582 681 HD2 HIS 92 HD2 HIS 92 62.964 9.692 -46.301 682 HE1 HIS 92 HE1 HIS 92 59.260 7.747 -46.798 683 H HIS 93 HN HIS 93 60.424 13.935 -42.933 684 HA HIS 93 HA HIS 93 62.481 14.158 -40.895 685 HB2 HIS 93 HB2 HIS 93 61.514 16.418 -40.412 686 HB3 HIS 93 HB1 HIS 93 62.117 16.250 -42.049 687 HD1 HIS 93 HD1 HIS 93 58.772 16.365 -40.158 688 HD2 HIS 93 HD2 HIS 93 60.352 16.869 -43.971 689 HE1 HIS 93 HE1 HIS 93 56.914 17.315 -41.571 690 H HIS 94 HN HIS 94 61.785 14.792 -38.735 691 HA HIS 94 HA HIS 94 59.790 12.959 -37.801 692 HB2 HIS 94 HB2 HIS 94 61.454 15.037 -36.351 693 HB3 HIS 94 HB1 HIS 94 60.275 14.017 -35.536 694 HD1 HIS 94 HD1 HIS 94 61.359 12.007 -34.468 695 HD2 HIS 94 HD2 HIS 94 63.395 13.279 -37.858 696 HE1 HIS 94 HE1 HIS 94 63.319 10.460 -34.737 697 H HIS 95 HN HIS 95 57.965 13.631 -36.509 698 HA HIS 95 HA HIS 95 56.794 16.037 -37.680 699 HB2 HIS 95 HB2 HIS 95 55.429 13.555 -36.613 700 HB3 HIS 95 HB1 HIS 95 54.621 14.941 -37.335 701 HD1 HIS 95 HD1 HIS 95 56.255 11.744 -38.191 702 HD2 HIS 95 HD2 HIS 95 55.163 15.241 -40.149 703 HE1 HIS 95 HE1 HIS 95 56.282 11.205 -40.647 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 79.178 25.510 -3.575 2 H2 MET 1 HT2 MET 1 79.961 25.539 -5.058 3 H3 MET 1 HT3 MET 1 80.744 26.149 -3.687 4 HA MET 1 HA MET 1 81.576 23.989 -4.295 5 HB2 MET 1 HB2 MET 1 81.515 24.564 -1.886 6 HB3 MET 1 HB1 MET 1 79.873 23.946 -1.780 7 HG2 MET 1 HG2 MET 1 80.719 21.696 -2.374 8 HG3 MET 1 HG1 MET 1 82.354 22.345 -2.374 9 HE1 MET 1 HE1 MET 1 81.377 19.790 -0.691 10 HE2 MET 1 HE2 MET 1 82.202 20.080 0.846 11 HE3 MET 1 HE3 MET 1 83.040 20.381 -0.670 12 H HIS 2 HN HIS 2 81.136 21.836 -4.910 13 HA HIS 2 HA HIS 2 78.324 21.065 -4.875 14 HB2 HIS 2 HB2 HIS 2 78.916 21.645 -7.220 15 HB3 HIS 2 HB1 HIS 2 80.253 20.502 -7.155 16 HD1 HIS 2 HD1 HIS 2 79.648 18.307 -8.291 17 HD2 HIS 2 HD2 HIS 2 76.355 20.159 -6.548 18 HE1 HIS 2 HE1 HIS 2 77.708 16.792 -8.691 19 H THR 3 HN THR 3 78.092 19.343 -3.627 20 HA THR 3 HA THR 3 80.311 17.883 -2.733 21 HB THR 3 HB THR 3 77.365 17.209 -2.476 22 HG1 THR 3 HG1 THR 3 77.864 18.245 -0.329 23 HG21 THR 3 HG21 THR 3 78.065 15.994 -0.464 24 HG22 THR 3 HG22 THR 3 79.742 16.439 -0.758 25 HG23 THR 3 HG23 THR 3 78.908 15.364 -1.880 26 H ASN 4 HN ASN 4 81.325 16.348 -3.841 27 HA ASN 4 HA ASN 4 79.898 15.064 -6.004 28 HB2 ASN 4 HB2 ASN 4 82.819 15.533 -5.620 29 HB3 ASN 4 HB1 ASN 4 82.282 14.214 -6.656 30 HD21 ASN 4 HD21 ASN 4 82.368 17.658 -6.231 31 HD22 ASN 4 HD22 ASN 4 81.899 18.030 -7.836 32 H TRP 5 HN TRP 5 78.835 13.807 -4.622 33 HA TRP 5 HA TRP 5 80.251 11.496 -3.507 34 HB2 TRP 5 HB2 TRP 5 78.044 11.114 -2.334 35 HB3 TRP 5 HB1 TRP 5 78.961 12.514 -1.813 36 HD1 TRP 5 HD1 TRP 5 77.070 13.263 -4.984 37 HE1 TRP 5 HE1 TRP 5 75.047 14.697 -4.446 38 HE3 TRP 5 HE3 TRP 5 77.064 12.660 0.054 39 HZ2 TRP 5 HZ2 TRP 5 73.567 15.474 -2.116 40 HZ3 TRP 5 HZ3 TRP 5 75.335 13.742 1.387 41 HH2 TRP 5 HH2 TRP 5 73.600 15.135 0.324 42 H GLN 6 HN GLN 6 78.756 9.544 -3.557 43 HA GLN 6 HA GLN 6 77.852 9.312 -6.302 44 HB2 GLN 6 HB2 GLN 6 78.286 6.785 -5.829 45 HB3 GLN 6 HB1 GLN 6 79.620 7.839 -6.258 46 HG2 GLN 6 HG2 GLN 6 80.251 8.035 -3.937 47 HG3 GLN 6 HG1 GLN 6 78.897 7.038 -3.438 48 HE21 GLN 6 HE21 GLN 6 80.297 5.518 -2.525 49 HE22 GLN 6 HE22 GLN 6 81.278 4.479 -3.511 50 H VAL 7 HN VAL 7 75.847 8.978 -6.618 51 HA VAL 7 HA VAL 7 74.186 8.481 -4.291 52 HB VAL 7 HB VAL 7 72.329 9.423 -5.576 53 HG11 VAL 7 HG11 VAL 7 73.814 11.037 -4.438 54 HG12 VAL 7 HG12 VAL 7 73.116 11.718 -5.901 55 HG13 VAL 7 HG13 VAL 7 74.780 11.153 -5.902 56 HG21 VAL 7 HG21 VAL 7 72.612 10.320 -7.846 57 HG22 VAL 7 HG22 VAL 7 72.898 8.578 -7.819 58 HG23 VAL 7 HG23 VAL 7 74.260 9.693 -7.893 59 H CYS 8 HN CYS 8 73.229 6.563 -4.000 60 HA CYS 8 HA CYS 8 73.022 4.819 -6.336 61 HB2 CYS 8 HB2 CYS 8 74.776 3.993 -4.822 62 HB3 CYS 8 HB1 CYS 8 73.636 4.036 -3.476 63 HG CYS 8 HG CYS 8 71.960 2.141 -5.079 64 H SER 9 HN SER 9 71.147 3.793 -6.617 65 HA SER 9 HA SER 9 69.011 4.388 -4.726 66 HB2 SER 9 HB2 SER 9 68.586 5.164 -7.007 67 HB3 SER 9 HB1 SER 9 68.918 3.561 -7.666 68 HG SER 9 HG SER 9 66.736 4.601 -6.305 69 H LEU 10 HN LEU 10 67.779 2.657 -4.054 70 HA LEU 10 HA LEU 10 68.883 -0.017 -4.566 71 HB2 LEU 10 HB2 LEU 10 67.825 1.073 -1.968 72 HB3 LEU 10 HB1 LEU 10 68.348 -0.567 -2.227 73 HG LEU 10 HG LEU 10 70.128 1.872 -2.299 74 HD11 LEU 10 HD11 LEU 10 69.308 1.376 -0.059 75 HD12 LEU 10 HD12 LEU 10 71.028 1.007 -0.201 76 HD13 LEU 10 HD13 LEU 10 69.841 -0.297 -0.226 77 HD21 LEU 10 HD21 LEU 10 71.966 0.233 -2.303 78 HD22 LEU 10 HD22 LEU 10 70.975 0.150 -3.753 79 HD23 LEU 10 HD23 LEU 10 70.788 -1.070 -2.484 80 H VAL 11 HN VAL 11 67.370 -1.345 -5.260 81 HA VAL 11 HA VAL 11 64.564 -0.602 -4.897 82 HB VAL 11 HB VAL 11 65.728 -2.836 -6.622 83 HG11 VAL 11 HG11 VAL 11 62.919 -1.741 -6.501 84 HG12 VAL 11 HG12 VAL 11 63.447 -3.299 -5.869 85 HG13 VAL 11 HG13 VAL 11 63.492 -2.989 -7.607 86 HG21 VAL 11 HG21 VAL 11 66.332 -0.627 -7.483 87 HG22 VAL 11 HG22 VAL 11 64.629 -0.158 -7.469 88 HG23 VAL 11 HG23 VAL 11 65.181 -1.438 -8.550 89 H VAL 12 HN VAL 12 63.997 -1.212 -2.963 90 HA VAL 12 HA VAL 12 65.002 -3.728 -1.919 91 HB VAL 12 HB VAL 12 63.550 -1.473 -0.524 92 HG11 VAL 12 HG11 VAL 12 64.190 -2.584 1.564 93 HG12 VAL 12 HG12 VAL 12 64.898 -3.898 0.641 94 HG13 VAL 12 HG13 VAL 12 63.162 -3.619 0.571 95 HG21 VAL 12 HG21 VAL 12 65.775 -0.810 -1.265 96 HG22 VAL 12 HG22 VAL 12 66.468 -2.220 -0.455 97 HG23 VAL 12 HG23 VAL 12 65.701 -0.950 0.492 98 H GLN 13 HN GLN 13 63.799 -5.393 -2.295 99 HA GLN 13 HA GLN 13 60.902 -5.220 -2.517 100 HB2 GLN 13 HB2 GLN 13 62.802 -7.573 -2.607 101 HB3 GLN 13 HB1 GLN 13 61.067 -7.674 -2.858 102 HG2 GLN 13 HG2 GLN 13 61.255 -6.326 -4.851 103 HG3 GLN 13 HG1 GLN 13 62.994 -6.152 -4.584 104 HE21 GLN 13 HE21 GLN 13 61.514 -7.329 -6.804 105 HE22 GLN 13 HE22 GLN 13 62.108 -8.931 -6.978 106 H ALA 14 HN ALA 14 59.701 -5.435 -0.760 107 HA ALA 14 HA ALA 14 60.713 -6.984 1.479 108 HB1 ALA 14 HB1 ALA 14 59.838 -4.109 1.667 109 HB2 ALA 14 HB2 ALA 14 61.481 -4.718 1.912 110 HB3 ALA 14 HB3 ALA 14 60.188 -5.175 3.024 111 H LYS 15 HN LYS 15 58.959 -7.188 3.138 112 HA LYS 15 HA LYS 15 56.565 -7.993 1.924 113 HB2 LYS 15 HB2 LYS 15 57.440 -7.765 4.761 114 HB3 LYS 15 HB1 LYS 15 55.706 -7.770 4.487 115 HG2 LYS 15 HG2 LYS 15 56.468 -10.016 4.934 116 HG3 LYS 15 HG1 LYS 15 55.906 -9.903 3.272 117 HD2 LYS 15 HD2 LYS 15 57.858 -11.123 3.036 118 HD3 LYS 15 HD1 LYS 15 58.422 -9.476 2.746 119 HE2 LYS 15 HE2 LYS 15 59.993 -10.537 4.183 120 HE3 LYS 15 HE1 LYS 15 59.095 -9.371 5.152 121 HZ1 LYS 15 HZ1 LYS 15 59.386 -11.484 6.284 122 HZ2 LYS 15 HZ2 LYS 15 58.579 -12.300 5.065 123 HZ3 LYS 15 HZ3 LYS 15 57.748 -11.195 6.030 124 H SER 16 HN SER 16 55.014 -6.973 1.178 125 HA SER 16 HA SER 16 55.062 -4.202 0.934 126 HB2 SER 16 HB2 SER 16 52.875 -6.106 0.196 127 HB3 SER 16 HB1 SER 16 53.291 -4.567 -0.576 128 HG SER 16 HG SER 16 55.505 -5.873 -0.536 129 H GLU 17 HN GLU 17 53.282 -6.292 3.067 130 HA GLU 17 HA GLU 17 51.458 -4.190 3.844 131 HB2 GLU 17 HB2 GLU 17 50.600 -5.860 5.453 132 HB3 GLU 17 HB1 GLU 17 50.588 -6.435 3.791 133 HG2 GLU 17 HG2 GLU 17 52.657 -7.681 4.239 134 HG3 GLU 17 HG1 GLU 17 52.585 -7.144 5.921 135 H ARG 18 HN ARG 18 54.586 -5.009 4.565 136 HA ARG 18 HA ARG 18 54.440 -3.855 7.260 137 HB2 ARG 18 HB2 ARG 18 55.231 -6.226 7.087 138 HB3 ARG 18 HB1 ARG 18 56.556 -5.670 6.079 139 HG2 ARG 18 HG2 ARG 18 57.439 -4.365 7.891 140 HG3 ARG 18 HG1 ARG 18 56.077 -4.827 8.922 141 HD2 ARG 18 HD2 ARG 18 56.760 -7.121 8.803 142 HD3 ARG 18 HD1 ARG 18 58.078 -6.707 7.701 143 HE ARG 18 HE ARG 18 58.458 -5.143 9.916 144 HH11 ARG 18 HH11 ARG 18 58.331 -8.632 9.262 145 HH12 ARG 18 HH12 ARG 18 59.296 -9.049 10.597 146 HH21 ARG 18 HH21 ARG 18 59.782 -5.744 11.755 147 HH22 ARG 18 HH22 ARG 18 60.122 -7.398 12.027 148 H ILE 19 HN ILE 19 54.666 -2.751 4.427 149 HA ILE 19 HA ILE 19 57.275 -1.836 4.055 150 HB ILE 19 HB ILE 19 54.714 -1.450 2.679 151 HG12 ILE 19 HG12 ILE 19 57.573 -1.788 1.769 152 HG13 ILE 19 HG11 ILE 19 56.392 -3.068 2.003 153 HG21 ILE 19 HG21 ILE 19 55.087 0.882 2.936 154 HG22 ILE 19 HG22 ILE 19 55.538 0.465 1.276 155 HG23 ILE 19 HG23 ILE 19 56.781 0.726 2.503 156 HD11 ILE 19 HD11 ILE 19 56.133 -0.850 -0.007 157 HD12 ILE 19 HD12 ILE 19 55.115 -2.299 0.139 158 HD13 ILE 19 HD13 ILE 19 56.809 -2.439 -0.332 159 H SER 20 HN SER 20 54.627 -0.400 5.781 160 HA SER 20 HA SER 20 55.748 2.180 5.979 161 HB2 SER 20 HB2 SER 20 53.877 0.792 7.889 162 HB3 SER 20 HB1 SER 20 54.030 2.525 7.612 163 HG SER 20 HG SER 20 52.898 2.389 5.873 164 H ASP 21 HN ASP 21 55.902 -0.724 7.912 165 HA ASP 21 HA ASP 21 57.367 0.133 10.158 166 HB2 ASP 21 HB2 ASP 21 56.172 -2.014 9.996 167 HB3 ASP 21 HB1 ASP 21 57.257 -2.532 8.727 168 H ILE 22 HN ILE 22 58.361 -1.418 7.192 169 HA ILE 22 HA ILE 22 61.170 -1.321 7.639 170 HB ILE 22 HB ILE 22 59.590 -1.716 5.087 171 HG12 ILE 22 HG12 ILE 22 60.756 -3.744 6.994 172 HG13 ILE 22 HG11 ILE 22 59.064 -3.262 6.957 173 HG21 ILE 22 HG21 ILE 22 61.588 -2.832 4.225 174 HG22 ILE 22 HG22 ILE 22 62.460 -2.443 5.701 175 HG23 ILE 22 HG23 ILE 22 61.938 -1.149 4.624 176 HD11 ILE 22 HD11 ILE 22 59.296 -5.319 5.818 177 HD12 ILE 22 HD12 ILE 22 60.630 -4.683 4.867 178 HD13 ILE 22 HD13 ILE 22 58.988 -4.070 4.603 179 H SER 23 HN SER 23 58.977 0.822 5.857 180 HA SER 23 HA SER 23 60.968 2.378 4.639 181 HB2 SER 23 HB2 SER 23 58.541 2.360 3.977 182 HB3 SER 23 HB1 SER 23 58.175 3.271 5.438 183 HG SER 23 HG SER 23 58.374 4.710 3.766 184 H THR 24 HN THR 24 59.603 2.456 7.847 185 HA THR 24 HA THR 24 60.572 5.061 8.508 186 HB THR 24 HB THR 24 59.786 2.784 10.373 187 HG1 THR 24 HG1 THR 24 58.005 3.303 9.069 188 HG21 THR 24 HG21 THR 24 59.360 4.579 12.002 189 HG22 THR 24 HG22 THR 24 59.907 5.772 10.821 190 HG23 THR 24 HG23 THR 24 61.043 4.593 11.470 191 H GLN 25 HN GLN 25 61.678 1.714 8.980 192 HA GLN 25 HA GLN 25 64.010 2.128 10.287 193 HB2 GLN 25 HB2 GLN 25 62.648 0.122 8.782 194 HB3 GLN 25 HB1 GLN 25 64.360 -0.002 8.493 195 HG2 GLN 25 HG2 GLN 25 63.905 -1.394 10.392 196 HG3 GLN 25 HG1 GLN 25 64.607 0.135 10.942 197 HE21 GLN 25 HE21 GLN 25 61.642 -1.683 10.799 198 HE22 GLN 25 HE22 GLN 25 60.850 -0.747 12.011 199 H LEU 26 HN LEU 26 63.466 1.934 6.715 200 HA LEU 26 HA LEU 26 66.122 2.314 6.013 201 HB2 LEU 26 HB2 LEU 26 63.704 2.986 4.303 202 HB3 LEU 26 HB1 LEU 26 65.328 2.588 3.848 203 HG LEU 26 HG LEU 26 63.517 0.626 5.205 204 HD11 LEU 26 HD11 LEU 26 64.166 0.922 2.284 205 HD12 LEU 26 HD12 LEU 26 62.605 1.217 3.044 206 HD13 LEU 26 HD13 LEU 26 63.281 -0.414 3.016 207 HD21 LEU 26 HD21 LEU 26 66.151 0.345 3.800 208 HD22 LEU 26 HD22 LEU 26 65.177 -1.000 4.405 209 HD23 LEU 26 HD23 LEU 26 65.869 0.172 5.530 210 H ASN 27 HN ASN 27 63.514 4.586 6.616 211 HA ASN 27 HA ASN 27 64.716 6.911 5.532 212 HB2 ASN 27 HB2 ASN 27 62.271 6.462 6.168 213 HB3 ASN 27 HB1 ASN 27 62.757 6.828 7.816 214 HD21 ASN 27 HD21 ASN 27 61.888 8.035 4.797 215 HD22 ASN 27 HD22 ASN 27 62.015 9.710 5.137 216 H ALA 28 HN ALA 28 65.329 5.124 8.404 217 HA ALA 28 HA ALA 28 66.208 7.423 9.938 218 HB1 ALA 28 HB1 ALA 28 64.817 5.709 10.990 219 HB2 ALA 28 HB2 ALA 28 66.370 5.902 11.801 220 HB3 ALA 28 HB3 ALA 28 66.096 4.524 10.728 221 H PHE 29 HN PHE 29 67.772 5.498 7.624 222 HA PHE 29 HA PHE 29 70.104 5.179 9.186 223 HB2 PHE 29 HB2 PHE 29 69.311 4.432 6.409 224 HB3 PHE 29 HB1 PHE 29 70.912 4.115 7.077 225 HD1 PHE 29 HD1 PHE 29 70.172 3.190 9.792 226 HD2 PHE 29 HD2 PHE 29 68.370 2.465 6.030 227 HE1 PHE 29 HE1 PHE 29 69.255 1.072 10.657 228 HE2 PHE 29 HE2 PHE 29 67.439 0.328 6.884 229 HZ PHE 29 HZ PHE 29 67.883 -0.355 9.202 230 HA PRO 30 HA PRO 30 72.113 8.937 8.032 231 HB2 PRO 30 HB2 PRO 30 74.603 7.390 7.632 232 HB3 PRO 30 HB1 PRO 30 74.273 8.711 8.756 233 HG2 PRO 30 HG2 PRO 30 74.492 6.201 9.617 234 HG3 PRO 30 HG1 PRO 30 73.299 7.307 10.320 235 HD2 PRO 30 HD2 PRO 30 72.905 5.110 8.327 236 HD3 PRO 30 HD1 PRO 30 71.917 5.570 9.729 237 H GLY 31 HN GLY 31 71.539 9.711 6.101 238 HA2 GLY 31 HA2 GLY 31 72.017 10.378 3.915 239 HA3 GLY 31 HA1 GLY 31 73.268 9.148 3.846 240 H CYS 32 HN CYS 32 70.476 7.748 4.970 241 HA CYS 32 HA CYS 32 69.823 6.711 2.312 242 HB2 CYS 32 HB2 CYS 32 70.755 5.056 3.739 243 HB3 CYS 32 HB1 CYS 32 69.785 5.621 5.082 244 HG CYS 32 HG CYS 32 67.571 4.388 4.490 245 H GLU 33 HN GLU 33 67.820 7.204 1.585 246 HA GLU 33 HA GLU 33 65.663 7.591 3.506 247 HB2 GLU 33 HB2 GLU 33 66.646 9.849 3.075 248 HB3 GLU 33 HB1 GLU 33 66.306 9.639 1.370 249 HG2 GLU 33 HG2 GLU 33 63.913 9.485 1.870 250 HG3 GLU 33 HG1 GLU 33 64.262 9.758 3.577 251 H VAL 34 HN VAL 34 63.657 7.079 2.656 252 HA VAL 34 HA VAL 34 63.667 5.568 0.201 253 HB VAL 34 HB VAL 34 61.298 6.238 1.980 254 HG11 VAL 34 HG11 VAL 34 60.285 4.225 1.040 255 HG12 VAL 34 HG12 VAL 34 61.682 4.029 -0.023 256 HG13 VAL 34 HG13 VAL 34 60.636 5.439 -0.192 257 HG21 VAL 34 HG21 VAL 34 63.003 5.137 3.325 258 HG22 VAL 34 HG22 VAL 34 63.103 3.828 2.148 259 HG23 VAL 34 HG23 VAL 34 61.621 4.074 3.070 260 H ALA 35 HN ALA 35 63.081 6.364 -1.686 261 HA ALA 35 HA ALA 35 62.161 9.127 -1.843 262 HB1 ALA 35 HB1 ALA 35 64.055 8.497 -3.250 263 HB2 ALA 35 HB2 ALA 35 62.663 8.921 -4.254 264 HB3 ALA 35 HB3 ALA 35 63.085 7.233 -4.007 265 H VAL 36 HN VAL 36 61.342 6.022 -3.348 266 HA VAL 36 HA VAL 36 58.539 6.895 -3.433 267 HB VAL 36 HB VAL 36 59.966 5.131 -5.457 268 HG11 VAL 36 HG11 VAL 36 57.141 6.182 -5.458 269 HG12 VAL 36 HG12 VAL 36 57.628 4.511 -5.165 270 HG13 VAL 36 HG13 VAL 36 57.891 5.238 -6.748 271 HG21 VAL 36 HG21 VAL 36 60.649 7.456 -5.718 272 HG22 VAL 36 HG22 VAL 36 58.955 7.958 -5.767 273 HG23 VAL 36 HG23 VAL 36 59.615 6.959 -7.057 274 H SER 37 HN SER 37 57.249 5.557 -2.274 275 HA SER 37 HA SER 37 58.250 2.872 -1.820 276 HB2 SER 37 HB2 SER 37 56.747 3.067 0.294 277 HB3 SER 37 HB1 SER 37 58.305 3.885 0.291 278 HG SER 37 HG SER 37 56.542 5.160 1.065 279 H ASP 38 HN ASP 38 57.223 1.588 -3.207 280 HA ASP 38 HA ASP 38 54.409 2.116 -3.820 281 HB2 ASP 38 HB2 ASP 38 55.966 1.887 -5.781 282 HB3 ASP 38 HB1 ASP 38 56.350 0.261 -5.205 283 H ALA 39 HN ALA 39 53.403 1.300 -2.147 284 HA ALA 39 HA ALA 39 53.964 -1.040 -0.781 285 HB1 ALA 39 HB1 ALA 39 52.501 0.714 0.105 286 HB2 ALA 39 HB2 ALA 39 51.750 -0.876 0.199 287 HB3 ALA 39 HB3 ALA 39 51.258 0.257 -1.060 288 HA PRO 40 HA PRO 40 50.465 -3.219 -3.715 289 HB2 PRO 40 HB2 PRO 40 50.946 -2.403 -6.314 290 HB3 PRO 40 HB1 PRO 40 49.639 -1.784 -5.276 291 HG2 PRO 40 HG2 PRO 40 52.425 -0.765 -5.587 292 HG3 PRO 40 HG1 PRO 40 51.027 0.229 -5.859 293 HD2 PRO 40 HD2 PRO 40 52.084 0.466 -3.604 294 HD3 PRO 40 HD1 PRO 40 50.395 -0.101 -3.499 295 H SER 41 HN SER 41 53.637 -2.282 -5.233 296 HA SER 41 HA SER 41 53.918 -5.025 -6.146 297 HB2 SER 41 HB2 SER 41 55.908 -2.791 -6.480 298 HB3 SER 41 HB1 SER 41 55.692 -4.231 -7.489 299 HG SER 41 HG SER 41 54.157 -1.933 -7.232 300 H GLY 42 HN GLY 42 54.994 -2.991 -3.592 301 HA2 GLY 42 HA2 GLY 42 56.032 -3.744 -1.652 302 HA3 GLY 42 HA1 GLY 42 56.521 -5.203 -2.498 303 H GLN 43 HN GLN 43 56.997 -2.082 -3.906 304 HA GLN 43 HA GLN 43 59.886 -2.591 -3.771 305 HB2 GLN 43 HB2 GLN 43 58.355 -0.835 -5.673 306 HB3 GLN 43 HB1 GLN 43 60.092 -1.087 -5.686 307 HG2 GLN 43 HG2 GLN 43 59.759 -3.431 -6.155 308 HG3 GLN 43 HG1 GLN 43 58.017 -3.190 -6.107 309 HE21 GLN 43 HE21 GLN 43 58.317 -0.516 -7.510 310 HE22 GLN 43 HE22 GLN 43 58.635 -0.941 -9.134 311 H LEU 44 HN LEU 44 60.984 -1.436 -2.588 312 HA LEU 44 HA LEU 44 60.100 1.268 -1.876 313 HB2 LEU 44 HB2 LEU 44 61.902 -0.639 -0.396 314 HB3 LEU 44 HB1 LEU 44 61.564 1.007 0.112 315 HG LEU 44 HG LEU 44 59.507 -1.186 -0.127 316 HD11 LEU 44 HD11 LEU 44 59.566 -1.230 2.321 317 HD12 LEU 44 HD12 LEU 44 60.892 -0.066 2.303 318 HD13 LEU 44 HD13 LEU 44 61.123 -1.676 1.624 319 HD21 LEU 44 HD21 LEU 44 59.376 1.553 1.119 320 HD22 LEU 44 HD22 LEU 44 58.097 0.332 1.106 321 HD23 LEU 44 HD23 LEU 44 58.623 1.072 -0.404 322 H ILE 45 HN ILE 45 61.126 2.680 -3.078 323 HA ILE 45 HA ILE 45 63.790 2.078 -4.060 324 HB ILE 45 HB ILE 45 61.881 4.375 -4.599 325 HG12 ILE 45 HG12 ILE 45 61.312 2.242 -5.701 326 HG13 ILE 45 HG11 ILE 45 61.766 3.474 -6.870 327 HG21 ILE 45 HG21 ILE 45 63.464 5.219 -6.260 328 HG22 ILE 45 HG22 ILE 45 64.633 3.992 -5.774 329 HG23 ILE 45 HG23 ILE 45 64.155 5.252 -4.638 330 HD11 ILE 45 HD11 ILE 45 62.720 1.340 -7.486 331 HD12 ILE 45 HD12 ILE 45 63.466 1.179 -5.905 332 HD13 ILE 45 HD13 ILE 45 64.014 2.442 -7.006 333 H VAL 46 HN VAL 46 65.421 2.619 -2.934 334 HA VAL 46 HA VAL 46 65.154 4.775 -0.966 335 HB VAL 46 HB VAL 46 66.874 2.273 -0.823 336 HG11 VAL 46 HG11 VAL 46 66.563 4.505 1.168 337 HG12 VAL 46 HG12 VAL 46 67.989 4.183 0.182 338 HG13 VAL 46 HG13 VAL 46 67.487 3.024 1.416 339 HG21 VAL 46 HG21 VAL 46 65.523 1.626 1.049 340 HG22 VAL 46 HG22 VAL 46 64.482 1.852 -0.361 341 HG23 VAL 46 HG23 VAL 46 64.541 3.073 0.919 342 H VAL 47 HN VAL 47 66.670 6.330 -1.061 343 HA VAL 47 HA VAL 47 68.817 5.947 -3.022 344 HB VAL 47 HB VAL 47 67.605 8.586 -2.131 345 HG11 VAL 47 HG11 VAL 47 68.919 9.546 -3.968 346 HG12 VAL 47 HG12 VAL 47 69.599 7.958 -4.307 347 HG13 VAL 47 HG13 VAL 47 69.949 8.758 -2.773 348 HG21 VAL 47 HG21 VAL 47 66.001 7.348 -3.486 349 HG22 VAL 47 HG22 VAL 47 67.219 7.104 -4.734 350 HG23 VAL 47 HG23 VAL 47 66.634 8.732 -4.384 351 H VAL 48 HN VAL 48 70.742 5.955 -2.236 352 HA VAL 48 HA VAL 48 71.216 7.128 0.407 353 HB VAL 48 HB VAL 48 72.573 4.672 -0.731 354 HG11 VAL 48 HG11 VAL 48 73.983 5.924 0.797 355 HG12 VAL 48 HG12 VAL 48 73.495 4.398 1.539 356 HG13 VAL 48 HG13 VAL 48 72.712 5.902 2.022 357 HG21 VAL 48 HG21 VAL 48 70.434 4.790 1.402 358 HG22 VAL 48 HG22 VAL 48 71.381 3.363 0.998 359 HG23 VAL 48 HG23 VAL 48 70.290 4.059 -0.196 360 H GLU 49 HN GLU 49 72.386 8.908 -0.081 361 HA GLU 49 HA GLU 49 74.514 8.461 -1.993 362 HB2 GLU 49 HB2 GLU 49 74.648 10.904 -2.375 363 HB3 GLU 49 HB1 GLU 49 73.111 10.198 -2.833 364 HG2 GLU 49 HG2 GLU 49 73.434 11.559 -0.197 365 HG3 GLU 49 HG1 GLU 49 73.165 12.484 -1.669 366 H ALA 50 HN ALA 50 76.434 8.395 -1.367 367 HA ALA 50 HA ALA 50 77.165 9.699 1.115 368 HB1 ALA 50 HB1 ALA 50 77.826 6.834 0.413 369 HB2 ALA 50 HB2 ALA 50 76.711 7.352 1.674 370 HB3 ALA 50 HB3 ALA 50 78.430 7.714 1.817 371 H GLU 51 HN GLU 51 79.406 10.103 1.226 372 HA GLU 51 HA GLU 51 80.406 10.799 -1.363 373 HB2 GLU 51 HB2 GLU 51 80.454 12.191 0.775 374 HB3 GLU 51 HB1 GLU 51 81.782 11.159 1.275 375 HG2 GLU 51 HG2 GLU 51 83.039 11.845 -0.686 376 HG3 GLU 51 HG1 GLU 51 81.712 12.911 -1.157 377 H ASP 52 HN ASP 52 81.559 8.864 1.368 378 HA ASP 52 HA ASP 52 83.661 7.721 -0.276 379 HB2 ASP 52 HB2 ASP 52 83.041 7.538 2.660 380 HB3 ASP 52 HB1 ASP 52 84.165 6.424 1.905 381 H SER 53 HN SER 53 83.942 5.594 -0.691 382 HA SER 53 HA SER 53 81.816 4.029 -1.468 383 HB2 SER 53 HB2 SER 53 84.160 3.756 -2.262 384 HB3 SER 53 HB1 SER 53 84.611 3.157 -0.677 385 HG SER 53 HG SER 53 83.593 1.809 -2.754 386 H GLU 54 HN GLU 54 83.735 3.903 1.489 387 HA GLU 54 HA GLU 54 82.581 1.542 2.509 388 HB2 GLU 54 HB2 GLU 54 84.788 2.357 3.173 389 HB3 GLU 54 HB1 GLU 54 84.046 3.755 3.931 390 HG2 GLU 54 HG2 GLU 54 82.947 2.350 5.549 391 HG3 GLU 54 HG1 GLU 54 83.585 0.904 4.758 392 H THR 55 HN THR 55 81.912 4.967 3.026 393 HA THR 55 HA THR 55 80.024 4.728 5.044 394 HB THR 55 HB THR 55 80.143 6.771 2.824 395 HG1 THR 55 HG1 THR 55 81.660 6.425 5.199 396 HG21 THR 55 HG21 THR 55 79.270 6.943 5.709 397 HG22 THR 55 HG22 THR 55 78.189 6.913 4.306 398 HG23 THR 55 HG23 THR 55 79.286 8.279 4.551 399 H LEU 56 HN LEU 56 79.788 4.566 1.526 400 HA LEU 56 HA LEU 56 76.977 4.443 1.359 401 HB2 LEU 56 HB2 LEU 56 78.506 4.977 -0.539 402 HB3 LEU 56 HB1 LEU 56 79.056 3.318 -0.525 403 HG LEU 56 HG LEU 56 76.745 2.594 -1.099 404 HD11 LEU 56 HD11 LEU 56 75.179 4.258 -1.960 405 HD12 LEU 56 HD12 LEU 56 76.252 5.547 -1.423 406 HD13 LEU 56 HD13 LEU 56 75.502 4.471 -0.243 407 HD21 LEU 56 HD21 LEU 56 78.028 4.537 -3.020 408 HD22 LEU 56 HD22 LEU 56 76.862 3.280 -3.445 409 HD23 LEU 56 HD23 LEU 56 78.450 2.836 -2.820 410 H ILE 57 HN ILE 57 79.499 1.944 1.344 411 HA ILE 57 HA ILE 57 77.945 -0.334 1.058 412 HB ILE 57 HB ILE 57 80.533 -0.041 2.609 413 HG12 ILE 57 HG12 ILE 57 80.028 -0.971 -0.225 414 HG13 ILE 57 HG11 ILE 57 80.651 0.613 0.225 415 HG21 ILE 57 HG21 ILE 57 79.390 -2.095 3.271 416 HG22 ILE 57 HG22 ILE 57 80.819 -2.461 2.311 417 HG23 ILE 57 HG23 ILE 57 79.219 -2.558 1.576 418 HD11 ILE 57 HD11 ILE 57 82.002 -2.030 0.716 419 HD12 ILE 57 HD12 ILE 57 82.633 -0.450 1.177 420 HD13 ILE 57 HD13 ILE 57 82.420 -0.853 -0.528 421 H GLN 58 HN GLN 58 79.058 1.098 4.132 422 HA GLN 58 HA GLN 58 77.849 -0.855 5.757 423 HB2 GLN 58 HB2 GLN 58 78.481 1.995 6.542 424 HB3 GLN 58 HB1 GLN 58 78.195 0.659 7.642 425 HG2 GLN 58 HG2 GLN 58 80.526 1.020 5.767 426 HG3 GLN 58 HG1 GLN 58 80.548 1.102 7.524 427 HE21 GLN 58 HE21 GLN 58 80.445 -0.860 8.723 428 HE22 GLN 58 HE22 GLN 58 80.812 -2.361 7.974 429 H THR 59 HN THR 59 76.625 2.198 4.535 430 HA THR 59 HA THR 59 74.251 2.153 6.084 431 HB THR 59 HB THR 59 74.772 3.661 3.507 432 HG1 THR 59 HG1 THR 59 76.320 4.443 4.779 433 HG21 THR 59 HG21 THR 59 72.928 4.201 5.841 434 HG22 THR 59 HG22 THR 59 72.427 3.644 4.246 435 HG23 THR 59 HG23 THR 59 73.142 5.252 4.441 436 H ILE 60 HN ILE 60 75.066 1.071 2.786 437 HA ILE 60 HA ILE 60 72.442 0.318 2.070 438 HB ILE 60 HB ILE 60 75.116 -0.756 1.085 439 HG12 ILE 60 HG12 ILE 60 73.168 1.209 -0.156 440 HG13 ILE 60 HG11 ILE 60 74.709 1.614 0.588 441 HG21 ILE 60 HG21 ILE 60 73.912 -1.739 -0.822 442 HG22 ILE 60 HG22 ILE 60 72.378 -1.244 -0.115 443 HG23 ILE 60 HG23 ILE 60 73.371 -2.449 0.701 444 HD11 ILE 60 HD11 ILE 60 75.873 0.363 -1.163 445 HD12 ILE 60 HD12 ILE 60 74.848 1.629 -1.840 446 HD13 ILE 60 HD13 ILE 60 74.322 -0.052 -1.891 447 H GLU 61 HN GLU 61 75.029 -1.336 3.775 448 HA GLU 61 HA GLU 61 73.666 -3.775 3.934 449 HB2 GLU 61 HB2 GLU 61 76.023 -3.809 4.299 450 HB3 GLU 61 HB1 GLU 61 75.890 -2.703 5.662 451 HG2 GLU 61 HG2 GLU 61 74.924 -4.307 7.034 452 HG3 GLU 61 HG1 GLU 61 74.477 -5.324 5.676 453 H SER 62 HN SER 62 73.495 -0.913 6.004 454 HA SER 62 HA SER 62 72.067 -1.932 8.134 455 HB2 SER 62 HB2 SER 62 71.909 0.619 6.630 456 HB3 SER 62 HB1 SER 62 71.094 0.394 8.162 457 HG SER 62 HG SER 62 73.310 -0.140 8.964 458 H VAL 63 HN VAL 63 71.024 -0.785 5.007 459 HA VAL 63 HA VAL 63 68.257 -1.075 5.237 460 HB VAL 63 HB VAL 63 70.198 -1.093 2.991 461 HG11 VAL 63 HG11 VAL 63 67.151 -1.019 2.780 462 HG12 VAL 63 HG12 VAL 63 68.199 -2.286 2.159 463 HG13 VAL 63 HG13 VAL 63 68.234 -0.680 1.433 464 HG21 VAL 63 HG21 VAL 63 69.306 1.176 2.546 465 HG22 VAL 63 HG22 VAL 63 70.042 0.992 4.137 466 HG23 VAL 63 HG23 VAL 63 68.289 1.011 3.977 467 H ARG 64 HN ARG 64 70.791 -3.293 4.185 468 HA ARG 64 HA ARG 64 69.048 -5.428 3.388 469 HB2 ARG 64 HB2 ARG 64 71.940 -5.670 4.243 470 HB3 ARG 64 HB1 ARG 64 71.027 -6.819 3.278 471 HG2 ARG 64 HG2 ARG 64 70.839 -5.063 1.519 472 HG3 ARG 64 HG1 ARG 64 71.945 -4.077 2.473 473 HD2 ARG 64 HD2 ARG 64 72.498 -6.782 1.263 474 HD3 ARG 64 HD1 ARG 64 73.179 -5.240 0.759 475 HE ARG 64 HE ARG 64 73.753 -6.040 3.493 476 HH11 ARG 64 HH11 ARG 64 74.887 -5.981 0.133 477 HH12 ARG 64 HH12 ARG 64 76.478 -6.429 0.513 478 HH21 ARG 64 HH21 ARG 64 76.056 -6.649 4.021 479 HH22 ARG 64 HH22 ARG 64 77.125 -6.832 2.737 480 H ASN 65 HN ASN 65 70.250 -4.295 6.377 481 HA ASN 65 HA ASN 65 69.800 -6.762 7.776 482 HB2 ASN 65 HB2 ASN 65 70.852 -4.081 8.613 483 HB3 ASN 65 HB1 ASN 65 70.496 -5.355 9.779 484 HD21 ASN 65 HD21 ASN 65 73.050 -4.101 9.114 485 HD22 ASN 65 HD22 ASN 65 74.062 -5.382 8.577 486 H VAL 66 HN VAL 66 67.634 -4.806 6.594 487 HA VAL 66 HA VAL 66 66.090 -4.580 9.040 488 HB VAL 66 HB VAL 66 65.267 -3.862 6.200 489 HG11 VAL 66 HG11 VAL 66 63.309 -4.286 7.552 490 HG12 VAL 66 HG12 VAL 66 63.478 -2.527 7.373 491 HG13 VAL 66 HG13 VAL 66 63.964 -3.315 8.864 492 HG21 VAL 66 HG21 VAL 66 65.595 -1.530 6.896 493 HG22 VAL 66 HG22 VAL 66 67.093 -2.456 6.962 494 HG23 VAL 66 HG23 VAL 66 66.216 -2.089 8.449 495 H GLU 67 HN GLU 67 64.299 -5.729 9.501 496 HA GLU 67 HA GLU 67 64.602 -8.467 9.239 497 HB2 GLU 67 HB2 GLU 67 62.175 -6.959 10.098 498 HB3 GLU 67 HB1 GLU 67 62.667 -8.587 10.563 499 HG2 GLU 67 HG2 GLU 67 64.284 -6.217 10.994 500 HG3 GLU 67 HG1 GLU 67 63.107 -6.714 12.236 501 H GLY 68 HN GLY 68 61.957 -6.418 8.061 502 HA2 GLY 68 HA2 GLY 68 60.733 -8.623 6.694 503 HA3 GLY 68 HA1 GLY 68 60.180 -6.958 6.705 504 H VAL 69 HN VAL 69 63.380 -7.058 5.850 505 HA VAL 69 HA VAL 69 62.662 -6.532 3.089 506 HB VAL 69 HB VAL 69 65.437 -6.474 4.371 507 HG11 VAL 69 HG11 VAL 69 64.621 -5.722 1.587 508 HG12 VAL 69 HG12 VAL 69 65.642 -7.086 2.039 509 HG13 VAL 69 HG13 VAL 69 66.198 -5.435 2.323 510 HG21 VAL 69 HG21 VAL 69 63.631 -4.293 3.372 511 HG22 VAL 69 HG22 VAL 69 65.217 -4.084 4.119 512 HG23 VAL 69 HG23 VAL 69 63.862 -4.724 5.061 513 H LEU 70 HN LEU 70 63.014 -7.727 1.315 514 HA LEU 70 HA LEU 70 63.609 -10.545 1.782 515 HB2 LEU 70 HB2 LEU 70 62.246 -9.124 -0.501 516 HB3 LEU 70 HB1 LEU 70 62.538 -10.847 -0.439 517 HG LEU 70 HG LEU 70 60.779 -9.327 1.482 518 HD11 LEU 70 HD11 LEU 70 60.065 -11.122 -0.833 519 HD12 LEU 70 HD12 LEU 70 59.861 -9.375 -0.785 520 HD13 LEU 70 HD13 LEU 70 58.930 -10.401 0.310 521 HD21 LEU 70 HD21 LEU 70 61.776 -11.319 2.470 522 HD22 LEU 70 HD22 LEU 70 61.250 -12.281 1.088 523 HD23 LEU 70 HD23 LEU 70 60.057 -11.557 2.165 524 H ALA 71 HN ALA 71 64.124 -7.994 -0.635 525 HA ALA 71 HA ALA 71 66.827 -8.941 -1.011 526 HB1 ALA 71 HB1 ALA 71 66.575 -9.128 -3.432 527 HB2 ALA 71 HB2 ALA 71 64.851 -8.788 -3.281 528 HB3 ALA 71 HB3 ALA 71 65.518 -10.265 -2.593 529 H VAL 72 HN VAL 72 68.102 -7.322 -1.260 530 HA VAL 72 HA VAL 72 67.047 -4.679 -2.016 531 HB VAL 72 HB VAL 72 69.655 -5.376 -0.618 532 HG11 VAL 72 HG11 VAL 72 68.414 -2.680 -1.172 533 HG12 VAL 72 HG12 VAL 72 69.865 -3.343 -1.921 534 HG13 VAL 72 HG13 VAL 72 69.858 -2.960 -0.201 535 HG21 VAL 72 HG21 VAL 72 67.134 -4.166 0.521 536 HG22 VAL 72 HG22 VAL 72 68.654 -4.362 1.386 537 HG23 VAL 72 HG23 VAL 72 67.757 -5.779 0.852 538 H SER 73 HN SER 73 67.408 -4.225 -4.114 539 HA SER 73 HA SER 73 69.785 -5.352 -5.382 540 HB2 SER 73 HB2 SER 73 67.606 -5.734 -6.518 541 HB3 SER 73 HB1 SER 73 67.387 -3.986 -6.632 542 HG SER 73 HG SER 73 68.209 -4.566 -8.525 543 H LEU 74 HN LEU 74 71.448 -4.100 -5.864 544 HA LEU 74 HA LEU 74 71.383 -1.284 -5.128 545 HB2 LEU 74 HB2 LEU 74 73.194 -2.863 -4.357 546 HB3 LEU 74 HB1 LEU 74 73.696 -3.032 -6.022 547 HG LEU 74 HG LEU 74 73.743 -0.345 -4.628 548 HD11 LEU 74 HD11 LEU 74 76.078 -0.744 -4.140 549 HD12 LEU 74 HD12 LEU 74 75.953 -2.393 -4.756 550 HD13 LEU 74 HD13 LEU 74 75.069 -1.920 -3.300 551 HD21 LEU 74 HD21 LEU 74 75.301 -1.476 -6.953 552 HD22 LEU 74 HD22 LEU 74 75.462 0.147 -6.275 553 HD23 LEU 74 HD23 LEU 74 73.956 -0.335 -7.063 554 H VAL 75 HN VAL 75 70.970 0.233 -6.480 555 HA VAL 75 HA VAL 75 71.409 -0.281 -9.306 556 HB VAL 75 HB VAL 75 69.382 1.582 -8.032 557 HG11 VAL 75 HG11 VAL 75 68.513 1.906 -10.313 558 HG12 VAL 75 HG12 VAL 75 69.820 0.909 -10.949 559 HG13 VAL 75 HG13 VAL 75 70.185 2.452 -10.179 560 HG21 VAL 75 HG21 VAL 75 69.002 -1.026 -9.491 561 HG22 VAL 75 HG22 VAL 75 67.708 0.045 -8.960 562 HG23 VAL 75 HG23 VAL 75 68.748 -0.742 -7.767 563 H TYR 76 HN TYR 76 73.430 0.335 -9.197 564 HA TYR 76 HA TYR 76 73.847 3.142 -9.790 565 HB2 TYR 76 HB2 TYR 76 74.586 2.951 -7.394 566 HB3 TYR 76 HB1 TYR 76 75.630 1.611 -7.832 567 HD1 TYR 76 HD1 TYR 76 75.076 5.231 -8.504 568 HD2 TYR 76 HD2 TYR 76 77.879 2.032 -8.391 569 HE1 TYR 76 HE1 TYR 76 76.906 6.831 -8.859 570 HE2 TYR 76 HE2 TYR 76 79.723 3.624 -8.754 571 HH TYR 76 HH TYR 76 79.348 6.955 -8.414 572 H HIS 77 HN HIS 77 75.932 0.382 -9.171 573 HA HIS 77 HA HIS 77 75.940 -0.573 -11.838 574 HB2 HIS 77 HB2 HIS 77 78.514 0.460 -10.543 575 HB3 HIS 77 HB1 HIS 77 78.468 -0.624 -11.921 576 HD1 HIS 77 HD1 HIS 77 77.588 0.499 -14.237 577 HD2 HIS 77 HD2 HIS 77 78.344 3.118 -11.094 578 HE1 HIS 77 HE1 HIS 77 77.783 2.783 -15.260 579 H GLN 78 HN GLN 78 76.794 -2.782 -11.676 580 HA GLN 78 HA GLN 78 76.272 -3.726 -9.033 581 HB2 GLN 78 HB2 GLN 78 75.533 -4.905 -11.123 582 HB3 GLN 78 HB1 GLN 78 77.207 -5.325 -11.417 583 HG2 GLN 78 HG2 GLN 78 76.230 -7.244 -10.509 584 HG3 GLN 78 HG1 GLN 78 77.167 -6.545 -9.203 585 HE21 GLN 78 HE21 GLN 78 74.995 -4.482 -8.584 586 HE22 GLN 78 HE22 GLN 78 73.803 -5.398 -7.785 587 H GLN 79 HN GLN 79 79.142 -3.557 -11.057 588 HA GLN 79 HA GLN 79 80.727 -4.107 -8.630 589 HB2 GLN 79 HB2 GLN 79 81.273 -4.961 -11.461 590 HB3 GLN 79 HB1 GLN 79 82.462 -5.060 -10.172 591 HG2 GLN 79 HG2 GLN 79 79.789 -6.421 -10.065 592 HG3 GLN 79 HG1 GLN 79 81.248 -7.171 -10.706 593 HE21 GLN 79 HE21 GLN 79 81.202 -8.744 -9.164 594 HE22 GLN 79 HE22 GLN 79 81.623 -8.469 -7.513 595 H GLU 80 HN GLU 80 80.092 -1.919 -11.147 596 HA GLU 80 HA GLU 80 82.784 -0.894 -11.155 597 HB2 GLU 80 HB2 GLU 80 80.472 0.326 -12.644 598 HB3 GLU 80 HB1 GLU 80 82.185 0.462 -13.000 599 HG2 GLU 80 HG2 GLU 80 80.383 -1.900 -13.426 600 HG3 GLU 80 HG1 GLU 80 81.250 -0.964 -14.636 601 H GLU 81 HN GLU 81 82.664 -0.304 -8.899 602 HA GLU 81 HA GLU 81 80.965 1.904 -8.229 603 HB2 GLU 81 HB2 GLU 81 82.091 1.887 -6.043 604 HB3 GLU 81 HB1 GLU 81 81.511 0.293 -6.483 605 HG2 GLU 81 HG2 GLU 81 83.709 -0.443 -7.029 606 HG3 GLU 81 HG1 GLU 81 84.346 1.194 -6.858 607 H GLN 82 HN GLN 82 84.302 1.360 -9.009 608 HA GLN 82 HA GLN 82 84.998 4.174 -8.798 609 HB2 GLN 82 HB2 GLN 82 86.574 1.874 -9.992 610 HB3 GLN 82 HB1 GLN 82 87.195 3.473 -9.624 611 HG2 GLN 82 HG2 GLN 82 86.855 3.059 -7.232 612 HG3 GLN 82 HG1 GLN 82 86.203 1.464 -7.617 613 HE21 GLN 82 HE21 GLN 82 88.538 2.167 -6.003 614 HE22 GLN 82 HE22 GLN 82 89.863 1.354 -6.755 615 H GLY 83 HN GLY 83 84.451 1.717 -11.236 616 HA2 GLY 83 HA2 GLY 83 83.047 2.798 -13.098 617 HA3 GLY 83 HA1 GLY 83 84.560 3.667 -13.382 618 H GLU 84 HN GLU 84 84.535 2.592 -15.443 619 HA GLU 84 HA GLU 84 85.461 -0.202 -15.272 620 HB2 GLU 84 HB2 GLU 84 84.291 1.232 -17.673 621 HB3 GLU 84 HB1 GLU 84 84.833 -0.436 -17.638 622 HG2 GLU 84 HG2 GLU 84 83.087 -0.859 -15.885 623 HG3 GLU 84 HG1 GLU 84 82.478 0.763 -16.214 624 H GLU 85 HN GLU 85 86.247 2.977 -15.801 625 HA GLU 85 HA GLU 85 88.249 2.919 -17.733 626 HB2 GLU 85 HB2 GLU 85 88.208 4.690 -15.278 627 HB3 GLU 85 HB1 GLU 85 89.006 5.012 -16.804 628 HG2 GLU 85 HG2 GLU 85 87.161 6.391 -16.932 629 HG3 GLU 85 HG1 GLU 85 86.584 4.962 -17.780 630 H THR 86 HN THR 86 90.398 2.285 -17.662 631 HA THR 86 HA THR 86 91.480 1.829 -15.065 632 HB THR 86 HB THR 86 90.585 -0.374 -15.645 633 HG1 THR 86 HG1 THR 86 92.595 -0.183 -14.524 634 HG21 THR 86 HG21 THR 86 91.436 -1.692 -17.531 635 HG22 THR 86 HG22 THR 86 92.447 -0.334 -18.026 636 HG23 THR 86 HG23 THR 86 90.695 -0.196 -18.120 637 HA PRO 87 HA PRO 87 94.747 3.822 -17.296 638 HB2 PRO 87 HB2 PRO 87 95.775 5.114 -15.216 639 HB3 PRO 87 HB1 PRO 87 94.238 5.622 -15.916 640 HG2 PRO 87 HG2 PRO 87 94.752 4.055 -13.427 641 HG3 PRO 87 HG1 PRO 87 93.541 5.308 -13.723 642 HD2 PRO 87 HD2 PRO 87 93.078 2.575 -13.810 643 HD3 PRO 87 HD1 PRO 87 92.046 3.817 -14.547 644 H ARG 88 HN ARG 88 97.186 3.935 -16.730 645 HA ARG 88 HA ARG 88 97.994 1.236 -16.160 646 HB2 ARG 88 HB2 ARG 88 99.647 3.634 -16.957 647 HB3 ARG 88 HB1 ARG 88 100.260 1.993 -16.803 648 HG2 ARG 88 HG2 ARG 88 98.750 1.264 -18.580 649 HG3 ARG 88 HG1 ARG 88 98.146 2.913 -18.731 650 HD2 ARG 88 HD2 ARG 88 100.335 3.692 -19.381 651 HD3 ARG 88 HD1 ARG 88 101.017 2.085 -19.143 652 HE ARG 88 HE ARG 88 98.880 1.935 -20.940 653 HH11 ARG 88 HH11 ARG 88 102.189 3.202 -20.819 654 HH12 ARG 88 HH12 ARG 88 102.491 2.961 -22.475 655 HH21 ARG 88 HH21 ARG 88 99.295 1.625 -23.216 656 HH22 ARG 88 HH22 ARG 88 100.800 2.021 -23.878 657 H SER 89 HN SER 89 99.795 4.091 -15.033 658 HA SER 89 HA SER 89 99.587 3.020 -12.303 659 HB2 SER 89 HB2 SER 89 102.034 4.287 -13.570 660 HB3 SER 89 HB1 SER 89 101.930 3.550 -11.973 661 HG SER 89 HG SER 89 101.400 1.558 -13.078 662 H HIS 90 HN HIS 90 98.123 5.094 -13.740 663 HA HIS 90 HA HIS 90 98.805 7.470 -12.178 664 HB2 HIS 90 HB2 HIS 90 98.138 8.878 -14.200 665 HB3 HIS 90 HB1 HIS 90 99.652 8.003 -14.382 666 HD1 HIS 90 HD1 HIS 90 96.509 8.626 -16.179 667 HD2 HIS 90 HD2 HIS 90 99.257 5.514 -15.950 668 HE1 HIS 90 HE1 HIS 90 96.119 7.174 -18.202 669 H HIS 91 HN HIS 91 97.120 7.336 -10.726 670 HA HIS 91 HA HIS 91 94.519 6.610 -11.693 671 HB2 HIS 91 HB2 HIS 91 93.708 6.944 -9.374 672 HB3 HIS 91 HB1 HIS 91 95.106 5.891 -9.432 673 HD1 HIS 91 HD1 HIS 91 97.077 6.567 -7.970 674 HD2 HIS 91 HD2 HIS 91 94.218 9.550 -8.305 675 HE1 HIS 91 HE1 HIS 91 97.674 8.313 -6.246 676 H HIS 92 HN HIS 92 92.882 7.852 -12.263 677 HA HIS 92 HA HIS 92 93.411 10.705 -12.431 678 HB2 HIS 92 HB2 HIS 92 91.096 9.079 -13.537 679 HB3 HIS 92 HB1 HIS 92 91.377 10.790 -13.840 680 HD1 HIS 92 HD1 HIS 92 91.645 7.833 -15.632 681 HD2 HIS 92 HD2 HIS 92 94.317 10.919 -14.880 682 HE1 HIS 92 HE1 HIS 92 93.381 7.712 -17.449 683 H HIS 93 HN HIS 93 92.928 11.777 -10.677 684 HA HIS 93 HA HIS 93 90.624 10.863 -9.132 685 HB2 HIS 93 HB2 HIS 93 91.601 12.007 -7.179 686 HB3 HIS 93 HB1 HIS 93 92.700 10.808 -7.831 687 HD1 HIS 93 HD1 HIS 93 92.424 14.389 -6.960 688 HD2 HIS 93 HD2 HIS 93 94.961 11.959 -9.179 689 HE1 HIS 93 HE1 HIS 93 94.553 15.690 -7.261 690 H HIS 94 HN HIS 94 89.633 12.670 -7.858 691 HA HIS 94 HA HIS 94 89.072 14.865 -9.698 692 HB2 HIS 94 HB2 HIS 94 86.976 15.160 -8.323 693 HB3 HIS 94 HB1 HIS 94 87.064 13.625 -9.169 694 HD1 HIS 94 HD1 HIS 94 86.423 11.642 -7.730 695 HD2 HIS 94 HD2 HIS 94 87.843 14.839 -5.478 696 HE1 HIS 94 HE1 HIS 94 86.238 10.950 -5.331 697 H HIS 95 HN HIS 95 88.346 16.902 -8.328 698 HA HIS 95 HA HIS 95 90.209 17.225 -6.122 699 HB2 HIS 95 HB2 HIS 95 89.728 19.191 -8.384 700 HB3 HIS 95 HB1 HIS 95 90.564 19.600 -6.893 701 HD1 HIS 95 HD1 HIS 95 91.049 17.889 -10.162 702 HD2 HIS 95 HD2 HIS 95 93.154 18.508 -6.642 703 HE1 HIS 95 HE1 HIS 95 93.432 17.236 -10.654 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 83.580 21.572 3.446 2 H2 MET 1 HT2 MET 1 85.179 22.101 3.446 3 H3 MET 1 HT3 MET 1 84.764 20.568 2.848 4 HA MET 1 HA MET 1 83.727 23.043 1.694 5 HB2 MET 1 HB2 MET 1 86.065 21.349 0.804 6 HB3 MET 1 HB1 MET 1 85.272 22.512 -0.245 7 HG2 MET 1 HG2 MET 1 85.863 24.314 1.260 8 HG3 MET 1 HG1 MET 1 86.601 23.175 2.377 9 HE1 MET 1 HE1 MET 1 88.799 24.611 2.406 10 HE2 MET 1 HE2 MET 1 88.094 25.769 1.279 11 HE3 MET 1 HE3 MET 1 89.693 25.087 0.964 12 H HIS 2 HN HIS 2 83.304 22.339 -0.810 13 HA HIS 2 HA HIS 2 81.151 20.474 -0.443 14 HB2 HIS 2 HB2 HIS 2 81.951 22.089 -2.875 15 HB3 HIS 2 HB1 HIS 2 80.505 21.097 -2.756 16 HD1 HIS 2 HD1 HIS 2 81.788 24.458 -2.051 17 HD2 HIS 2 HD2 HIS 2 78.608 22.083 -0.799 18 HE1 HIS 2 HE1 HIS 2 80.162 26.014 -0.908 19 H THR 3 HN THR 3 81.962 18.491 -0.236 20 HA THR 3 HA THR 3 83.799 17.404 -2.141 21 HB THR 3 HB THR 3 83.279 15.322 -0.691 22 HG1 THR 3 HG1 THR 3 82.124 15.633 1.066 23 HG21 THR 3 HG21 THR 3 85.366 16.632 -0.556 24 HG22 THR 3 HG22 THR 3 84.834 16.078 1.029 25 HG23 THR 3 HG23 THR 3 84.571 17.759 0.548 26 H ASN 4 HN ASN 4 83.299 15.739 -3.543 27 HA ASN 4 HA ASN 4 80.497 15.618 -4.293 28 HB2 ASN 4 HB2 ASN 4 82.970 14.591 -5.691 29 HB3 ASN 4 HB1 ASN 4 81.337 14.458 -6.329 30 HD21 ASN 4 HD21 ASN 4 80.526 17.134 -5.444 31 HD22 ASN 4 HD22 ASN 4 81.340 18.233 -6.475 32 H TRP 5 HN TRP 5 79.302 14.036 -3.726 33 HA TRP 5 HA TRP 5 80.529 11.505 -3.106 34 HB2 TRP 5 HB2 TRP 5 79.001 11.265 -1.135 35 HB3 TRP 5 HB1 TRP 5 80.235 12.501 -0.940 36 HD1 TRP 5 HD1 TRP 5 78.566 14.922 -2.352 37 HE1 TRP 5 HE1 TRP 5 76.572 15.916 -1.088 38 HE3 TRP 5 HE3 TRP 5 77.651 11.068 0.851 39 HZ2 TRP 5 HZ2 TRP 5 74.866 15.195 1.018 40 HZ3 TRP 5 HZ3 TRP 5 75.835 11.315 2.486 41 HH2 TRP 5 HH2 TRP 5 74.469 13.331 2.562 42 H GLN 6 HN GLN 6 79.153 9.717 -3.359 43 HA GLN 6 HA GLN 6 77.454 10.329 -5.597 44 HB2 GLN 6 HB2 GLN 6 77.694 7.868 -6.159 45 HB3 GLN 6 HB1 GLN 6 79.125 8.864 -6.297 46 HG2 GLN 6 HG2 GLN 6 79.832 6.828 -5.347 47 HG3 GLN 6 HG1 GLN 6 79.808 7.984 -4.025 48 HE21 GLN 6 HE21 GLN 6 79.657 6.397 -2.487 49 HE22 GLN 6 HE22 GLN 6 78.216 5.460 -2.259 50 H VAL 7 HN VAL 7 75.461 9.600 -5.941 51 HA VAL 7 HA VAL 7 74.060 8.687 -3.545 52 HB VAL 7 HB VAL 7 72.097 9.833 -4.287 53 HG11 VAL 7 HG11 VAL 7 72.755 12.173 -4.488 54 HG12 VAL 7 HG12 VAL 7 74.390 11.677 -4.898 55 HG13 VAL 7 HG13 VAL 7 73.765 11.355 -3.294 56 HG21 VAL 7 HG21 VAL 7 72.157 9.261 -6.671 57 HG22 VAL 7 HG22 VAL 7 73.471 10.405 -6.924 58 HG23 VAL 7 HG23 VAL 7 71.873 10.988 -6.451 59 H CYS 8 HN CYS 8 72.589 6.954 -3.810 60 HA CYS 8 HA CYS 8 72.474 5.722 -6.442 61 HB2 CYS 8 HB2 CYS 8 72.978 3.506 -5.458 62 HB3 CYS 8 HB1 CYS 8 74.339 4.614 -5.345 63 HG CYS 8 HG CYS 8 73.325 5.272 -2.615 64 H SER 9 HN SER 9 70.559 4.807 -6.855 65 HA SER 9 HA SER 9 68.512 4.936 -4.844 66 HB2 SER 9 HB2 SER 9 67.936 5.757 -7.029 67 HB3 SER 9 HB1 SER 9 68.413 4.236 -7.805 68 HG SER 9 HG SER 9 66.565 3.789 -5.890 69 H LEU 10 HN LEU 10 68.021 3.314 -3.686 70 HA LEU 10 HA LEU 10 68.843 0.631 -4.476 71 HB2 LEU 10 HB2 LEU 10 68.041 1.816 -1.858 72 HB3 LEU 10 HB1 LEU 10 68.243 0.105 -2.062 73 HG LEU 10 HG LEU 10 70.368 2.227 -2.314 74 HD11 LEU 10 HD11 LEU 10 71.324 1.126 -0.334 75 HD12 LEU 10 HD12 LEU 10 70.004 -0.042 -0.343 76 HD13 LEU 10 HD13 LEU 10 69.672 1.654 -0.005 77 HD21 LEU 10 HD21 LEU 10 70.826 0.498 -3.916 78 HD22 LEU 10 HD22 LEU 10 70.559 -0.751 -2.701 79 HD23 LEU 10 HD23 LEU 10 71.941 0.338 -2.557 80 H VAL 11 HN VAL 11 67.417 -0.721 -5.058 81 HA VAL 11 HA VAL 11 64.596 -0.095 -4.717 82 HB VAL 11 HB VAL 11 66.040 -2.104 -6.486 83 HG11 VAL 11 HG11 VAL 11 63.887 -2.637 -7.474 84 HG12 VAL 11 HG12 VAL 11 63.068 -1.584 -6.316 85 HG13 VAL 11 HG13 VAL 11 63.910 -3.040 -5.759 86 HG21 VAL 11 HG21 VAL 11 65.194 -0.767 -8.347 87 HG22 VAL 11 HG22 VAL 11 66.214 0.189 -7.266 88 HG23 VAL 11 HG23 VAL 11 64.462 0.354 -7.197 89 H VAL 12 HN VAL 12 64.055 -0.751 -2.763 90 HA VAL 12 HA VAL 12 65.201 -3.212 -1.712 91 HB VAL 12 HB VAL 12 63.599 -1.056 -0.301 92 HG11 VAL 12 HG11 VAL 12 64.323 -2.132 1.778 93 HG12 VAL 12 HG12 VAL 12 65.135 -3.381 0.847 94 HG13 VAL 12 HG13 VAL 12 63.380 -3.240 0.782 95 HG21 VAL 12 HG21 VAL 12 66.570 -1.586 -0.277 96 HG22 VAL 12 HG22 VAL 12 65.738 -0.406 0.731 97 HG23 VAL 12 HG23 VAL 12 65.767 -0.206 -1.022 98 H GLN 13 HN GLN 13 64.069 -4.932 -2.152 99 HA GLN 13 HA GLN 13 61.181 -4.781 -2.433 100 HB2 GLN 13 HB2 GLN 13 62.582 -6.153 -4.001 101 HB3 GLN 13 HB1 GLN 13 63.026 -7.161 -2.635 102 HG2 GLN 13 HG2 GLN 13 60.733 -7.853 -2.327 103 HG3 GLN 13 HG1 GLN 13 60.214 -6.777 -3.620 104 HE21 GLN 13 HE21 GLN 13 62.492 -7.406 -5.336 105 HE22 GLN 13 HE22 GLN 13 62.197 -8.986 -5.946 106 H ALA 14 HN ALA 14 59.974 -5.021 -0.715 107 HA ALA 14 HA ALA 14 60.969 -6.553 1.548 108 HB1 ALA 14 HB1 ALA 14 61.483 -4.209 1.943 109 HB2 ALA 14 HB2 ALA 14 60.216 -4.771 3.035 110 HB3 ALA 14 HB3 ALA 14 59.801 -3.776 1.641 111 H LYS 15 HN LYS 15 59.141 -6.749 3.165 112 HA LYS 15 HA LYS 15 56.872 -8.011 2.078 113 HB2 LYS 15 HB2 LYS 15 57.487 -6.924 4.796 114 HB3 LYS 15 HB1 LYS 15 55.864 -7.474 4.432 115 HG2 LYS 15 HG2 LYS 15 57.119 -9.172 5.598 116 HG3 LYS 15 HG1 LYS 15 56.752 -9.704 3.964 117 HD2 LYS 15 HD2 LYS 15 59.004 -9.270 3.273 118 HD3 LYS 15 HD1 LYS 15 59.374 -8.507 4.825 119 HE2 LYS 15 HE2 LYS 15 60.218 -10.800 4.735 120 HE3 LYS 15 HE1 LYS 15 58.982 -10.551 5.968 121 HZ1 LYS 15 HZ1 LYS 15 58.349 -11.720 3.297 122 HZ2 LYS 15 HZ2 LYS 15 57.372 -11.677 4.678 123 HZ3 LYS 15 HZ3 LYS 15 58.716 -12.640 4.650 124 H SER 16 HN SER 16 55.314 -7.103 0.977 125 HA SER 16 HA SER 16 54.703 -4.432 0.756 126 HB2 SER 16 HB2 SER 16 54.015 -5.962 -0.899 127 HB3 SER 16 HB1 SER 16 53.038 -6.901 0.242 128 HG SER 16 HG SER 16 52.492 -4.659 -1.200 129 H GLU 17 HN GLU 17 53.437 -6.824 3.019 130 HA GLU 17 HA GLU 17 51.332 -5.211 4.058 131 HB2 GLU 17 HB2 GLU 17 51.229 -6.860 5.856 132 HB3 GLU 17 HB1 GLU 17 51.317 -7.636 4.282 133 HG2 GLU 17 HG2 GLU 17 53.671 -8.120 4.618 134 HG3 GLU 17 HG1 GLU 17 53.648 -7.248 6.147 135 H ARG 18 HN ARG 18 54.706 -5.163 4.545 136 HA ARG 18 HA ARG 18 54.457 -3.908 7.214 137 HB2 ARG 18 HB2 ARG 18 55.550 -6.168 6.976 138 HB3 ARG 18 HB1 ARG 18 56.804 -5.342 6.065 139 HG2 ARG 18 HG2 ARG 18 57.439 -4.057 7.934 140 HG3 ARG 18 HG1 ARG 18 56.048 -4.610 8.862 141 HD2 ARG 18 HD2 ARG 18 58.165 -6.397 7.775 142 HD3 ARG 18 HD1 ARG 18 58.159 -5.718 9.428 143 HE ARG 18 HE ARG 18 55.774 -7.154 8.731 144 HH11 ARG 18 HH11 ARG 18 59.015 -7.481 10.123 145 HH12 ARG 18 HH12 ARG 18 58.683 -9.014 10.782 146 HH21 ARG 18 HH21 ARG 18 55.385 -9.279 9.658 147 HH22 ARG 18 HH22 ARG 18 56.644 -10.025 10.520 148 H ILE 19 HN ILE 19 54.641 -3.000 4.228 149 HA ILE 19 HA ILE 19 56.936 -1.642 3.644 150 HB ILE 19 HB ILE 19 54.078 -1.163 2.879 151 HG12 ILE 19 HG12 ILE 19 55.298 -3.077 2.025 152 HG13 ILE 19 HG11 ILE 19 54.788 -2.050 0.702 153 HG21 ILE 19 HG21 ILE 19 55.042 1.072 2.845 154 HG22 ILE 19 HG22 ILE 19 54.701 0.493 1.212 155 HG23 ILE 19 HG23 ILE 19 56.356 0.490 1.819 156 HD11 ILE 19 HD11 ILE 19 57.012 -2.832 0.274 157 HD12 ILE 19 HD12 ILE 19 57.555 -2.362 1.877 158 HD13 ILE 19 HD13 ILE 19 57.140 -1.124 0.694 159 H SER 20 HN SER 20 54.218 -0.276 5.489 160 HA SER 20 HA SER 20 55.216 2.325 5.639 161 HB2 SER 20 HB2 SER 20 53.426 0.950 7.635 162 HB3 SER 20 HB1 SER 20 53.524 2.677 7.271 163 HG SER 20 HG SER 20 52.128 0.738 6.058 164 H ASP 21 HN ASP 21 55.781 -0.470 7.696 165 HA ASP 21 HA ASP 21 57.125 1.039 9.746 166 HB2 ASP 21 HB2 ASP 21 56.856 -1.906 9.224 167 HB3 ASP 21 HB1 ASP 21 58.007 -1.312 10.410 168 H ILE 22 HN ILE 22 58.042 -0.844 6.990 169 HA ILE 22 HA ILE 22 60.817 -0.781 7.554 170 HB ILE 22 HB ILE 22 59.414 -1.390 4.929 171 HG12 ILE 22 HG12 ILE 22 60.425 -3.243 7.097 172 HG13 ILE 22 HG11 ILE 22 58.744 -2.791 6.857 173 HG21 ILE 22 HG21 ILE 22 62.230 -2.038 5.853 174 HG22 ILE 22 HG22 ILE 22 61.803 -0.858 4.615 175 HG23 ILE 22 HG23 ILE 22 61.491 -2.573 4.344 176 HD11 ILE 22 HD11 ILE 22 58.818 -3.833 4.631 177 HD12 ILE 22 HD12 ILE 22 59.148 -4.957 5.946 178 HD13 ILE 22 HD13 ILE 22 60.480 -4.339 4.966 179 H SER 23 HN SER 23 58.711 1.217 5.455 180 HA SER 23 HA SER 23 60.776 2.660 4.271 181 HB2 SER 23 HB2 SER 23 58.940 4.347 3.839 182 HB3 SER 23 HB1 SER 23 58.600 2.702 3.292 183 HG SER 23 HG SER 23 56.847 3.554 4.393 184 H THR 24 HN THR 24 58.780 3.389 7.083 185 HA THR 24 HA THR 24 59.950 5.831 7.753 186 HB THR 24 HB THR 24 58.753 3.820 9.683 187 HG1 THR 24 HG1 THR 24 57.135 4.111 8.258 188 HG21 THR 24 HG21 THR 24 59.903 5.772 10.703 189 HG22 THR 24 HG22 THR 24 58.160 5.812 10.987 190 HG23 THR 24 HG23 THR 24 58.881 6.853 9.757 191 H GLN 25 HN GLN 25 60.891 2.478 8.628 192 HA GLN 25 HA GLN 25 62.877 3.090 10.409 193 HB2 GLN 25 HB2 GLN 25 61.691 0.850 9.737 194 HB3 GLN 25 HB1 GLN 25 62.960 0.808 8.525 195 HG2 GLN 25 HG2 GLN 25 64.658 0.918 10.238 196 HG3 GLN 25 HG1 GLN 25 63.301 1.136 11.370 197 HE21 GLN 25 HE21 GLN 25 61.561 -0.794 10.458 198 HE22 GLN 25 HE22 GLN 25 62.245 -2.354 10.756 199 H LEU 26 HN LEU 26 62.959 2.497 6.833 200 HA LEU 26 HA LEU 26 65.694 2.725 6.589 201 HB2 LEU 26 HB2 LEU 26 63.513 3.096 4.523 202 HB3 LEU 26 HB1 LEU 26 65.216 3.026 4.241 203 HG LEU 26 HG LEU 26 63.591 0.776 5.433 204 HD11 LEU 26 HD11 LEU 26 64.809 0.978 2.699 205 HD12 LEU 26 HD12 LEU 26 63.097 1.183 3.062 206 HD13 LEU 26 HD13 LEU 26 63.879 -0.374 3.346 207 HD21 LEU 26 HD21 LEU 26 65.628 -0.573 5.063 208 HD22 LEU 26 HD22 LEU 26 65.862 0.693 6.256 209 HD23 LEU 26 HD23 LEU 26 66.492 0.897 4.616 210 H ASN 27 HN ASN 27 63.170 5.106 6.519 211 HA ASN 27 HA ASN 27 64.729 7.274 5.559 212 HB2 ASN 27 HB2 ASN 27 62.199 7.007 7.062 213 HB3 ASN 27 HB1 ASN 27 62.922 8.625 6.904 214 HD21 ASN 27 HD21 ASN 27 60.402 7.603 5.892 215 HD22 ASN 27 HD22 ASN 27 60.468 7.769 4.179 216 H ALA 28 HN ALA 28 64.774 5.631 8.496 217 HA ALA 28 HA ALA 28 65.827 7.889 9.976 218 HB1 ALA 28 HB1 ALA 28 65.208 5.078 10.858 219 HB2 ALA 28 HB2 ALA 28 64.132 6.452 11.022 220 HB3 ALA 28 HB3 ALA 28 65.660 6.414 11.925 221 H PHE 29 HN PHE 29 67.068 5.680 7.829 222 HA PHE 29 HA PHE 29 69.420 4.992 9.255 223 HB2 PHE 29 HB2 PHE 29 68.277 4.546 6.566 224 HB3 PHE 29 HB1 PHE 29 70.001 4.345 6.744 225 HD1 PHE 29 HD2 PHE 29 66.774 3.338 8.168 226 HD2 PHE 29 HD1 PHE 29 70.774 2.229 7.406 227 HE1 PHE 29 HE2 PHE 29 66.279 1.045 8.946 228 HE2 PHE 29 HE1 PHE 29 70.307 -0.047 8.180 229 HZ PHE 29 HZ PHE 29 68.057 -0.647 8.951 230 HA PRO 30 HA PRO 30 71.762 8.572 8.186 231 HB2 PRO 30 HB2 PRO 30 74.159 7.007 7.662 232 HB3 PRO 30 HB1 PRO 30 73.812 8.083 9.016 233 HG2 PRO 30 HG2 PRO 30 73.982 5.384 9.263 234 HG3 PRO 30 HG1 PRO 30 72.971 6.394 10.311 235 HD2 PRO 30 HD2 PRO 30 72.175 4.686 7.987 236 HD3 PRO 30 HD1 PRO 30 71.354 4.981 9.533 237 H GLY 31 HN GLY 31 70.909 9.184 6.261 238 HA2 GLY 31 HA2 GLY 31 71.367 9.957 4.113 239 HA3 GLY 31 HA1 GLY 31 72.664 8.774 3.997 240 H CYS 32 HN CYS 32 69.410 7.780 5.007 241 HA CYS 32 HA CYS 32 69.023 6.723 2.329 242 HB2 CYS 32 HB2 CYS 32 68.248 5.634 4.998 243 HB3 CYS 32 HB1 CYS 32 67.847 4.902 3.452 244 HG CYS 32 HG CYS 32 71.066 5.448 3.627 245 H GLU 33 HN GLU 33 67.277 7.510 1.343 246 HA GLU 33 HA GLU 33 65.030 8.527 2.960 247 HB2 GLU 33 HB2 GLU 33 66.336 10.384 2.008 248 HB3 GLU 33 HB1 GLU 33 66.146 9.692 0.406 249 HG2 GLU 33 HG2 GLU 33 63.706 10.006 0.594 250 HG3 GLU 33 HG1 GLU 33 63.953 10.785 2.156 251 H VAL 34 HN VAL 34 63.248 7.447 2.512 252 HA VAL 34 HA VAL 34 63.036 5.770 0.180 253 HB VAL 34 HB VAL 34 60.880 6.439 2.213 254 HG11 VAL 34 HG11 VAL 34 59.826 4.366 1.456 255 HG12 VAL 34 HG12 VAL 34 61.121 4.138 0.279 256 HG13 VAL 34 HG13 VAL 34 60.024 5.508 0.127 257 HG21 VAL 34 HG21 VAL 34 61.447 4.361 3.330 258 HG22 VAL 34 HG22 VAL 34 62.831 5.451 3.316 259 HG23 VAL 34 HG23 VAL 34 62.769 4.083 2.202 260 H ALA 35 HN ALA 35 62.812 6.797 -1.596 261 HA ALA 35 HA ALA 35 61.553 9.351 -1.825 262 HB1 ALA 35 HB1 ALA 35 63.536 8.808 -3.118 263 HB2 ALA 35 HB2 ALA 35 62.174 9.192 -4.178 264 HB3 ALA 35 HB3 ALA 35 62.661 7.515 -3.938 265 H VAL 36 HN VAL 36 60.881 6.054 -2.908 266 HA VAL 36 HA VAL 36 58.096 6.819 -3.430 267 HB VAL 36 HB VAL 36 59.749 5.074 -5.281 268 HG11 VAL 36 HG11 VAL 36 57.825 5.166 -6.784 269 HG12 VAL 36 HG12 VAL 36 56.929 6.070 -5.566 270 HG13 VAL 36 HG13 VAL 36 57.435 4.411 -5.240 271 HG21 VAL 36 HG21 VAL 36 60.456 7.385 -5.526 272 HG22 VAL 36 HG22 VAL 36 58.782 7.897 -5.730 273 HG23 VAL 36 HG23 VAL 36 59.545 6.873 -6.945 274 H SER 37 HN SER 37 56.840 5.447 -2.268 275 HA SER 37 HA SER 37 57.861 2.759 -1.797 276 HB2 SER 37 HB2 SER 37 55.418 4.072 -0.535 277 HB3 SER 37 HB1 SER 37 56.210 2.549 -0.095 278 HG SER 37 HG SER 37 57.563 5.030 0.017 279 H ASP 38 HN ASP 38 56.947 1.090 -2.892 280 HA ASP 38 HA ASP 38 54.388 1.589 -4.236 281 HB2 ASP 38 HB2 ASP 38 56.299 1.525 -5.878 282 HB3 ASP 38 HB1 ASP 38 56.668 -0.098 -5.279 283 H ALA 39 HN ALA 39 53.252 0.658 -2.638 284 HA ALA 39 HA ALA 39 53.877 -1.711 -1.313 285 HB1 ALA 39 HB1 ALA 39 51.112 -0.586 -1.720 286 HB2 ALA 39 HB2 ALA 39 52.246 -0.064 -0.478 287 HB3 ALA 39 HB3 ALA 39 51.622 -1.717 -0.466 288 HA PRO 40 HA PRO 40 50.834 -3.888 -4.776 289 HB2 PRO 40 HB2 PRO 40 52.010 -3.003 -7.189 290 HB3 PRO 40 HB1 PRO 40 50.398 -2.579 -6.599 291 HG2 PRO 40 HG2 PRO 40 52.996 -1.190 -6.180 292 HG3 PRO 40 HG1 PRO 40 51.523 -0.397 -6.668 293 HD2 PRO 40 HD2 PRO 40 52.184 -0.181 -4.227 294 HD3 PRO 40 HD1 PRO 40 50.558 -0.882 -4.469 295 H SER 41 HN SER 41 54.236 -2.938 -5.505 296 HA SER 41 HA SER 41 54.797 -5.760 -5.992 297 HB2 SER 41 HB2 SER 41 57.035 -4.967 -6.763 298 HB3 SER 41 HB1 SER 41 55.701 -4.230 -7.645 299 HG SER 41 HG SER 41 55.953 -2.351 -6.405 300 H GLY 42 HN GLY 42 55.327 -3.293 -3.642 301 HA2 GLY 42 HA2 GLY 42 55.900 -3.670 -1.418 302 HA3 GLY 42 HA1 GLY 42 56.543 -5.249 -1.863 303 H GLN 43 HN GLN 43 57.346 -2.527 -3.803 304 HA GLN 43 HA GLN 43 60.077 -2.775 -2.859 305 HB2 GLN 43 HB2 GLN 43 58.920 -1.784 -5.438 306 HB3 GLN 43 HB1 GLN 43 60.616 -1.620 -5.002 307 HG2 GLN 43 HG2 GLN 43 60.887 -3.994 -4.912 308 HG3 GLN 43 HG1 GLN 43 59.157 -4.242 -5.148 309 HE21 GLN 43 HE21 GLN 43 60.843 -1.757 -6.866 310 HE22 GLN 43 HE22 GLN 43 60.800 -2.521 -8.396 311 H LEU 44 HN LEU 44 61.136 -1.179 -2.069 312 HA LEU 44 HA LEU 44 59.887 1.477 -1.903 313 HB2 LEU 44 HB2 LEU 44 61.909 0.153 -0.083 314 HB3 LEU 44 HB1 LEU 44 61.312 1.793 0.075 315 HG LEU 44 HG LEU 44 59.543 -0.638 0.307 316 HD11 LEU 44 HD11 LEU 44 61.241 -0.625 2.079 317 HD12 LEU 44 HD12 LEU 44 59.639 -0.250 2.709 318 HD13 LEU 44 HD13 LEU 44 60.815 1.040 2.468 319 HD21 LEU 44 HD21 LEU 44 58.315 1.312 -0.273 320 HD22 LEU 44 HD22 LEU 44 59.216 2.277 0.888 321 HD23 LEU 44 HD23 LEU 44 58.110 1.038 1.464 322 H ILE 45 HN ILE 45 60.916 2.969 -3.060 323 HA ILE 45 HA ILE 45 63.609 2.431 -4.045 324 HB ILE 45 HB ILE 45 61.701 4.747 -4.552 325 HG12 ILE 45 HG12 ILE 45 60.977 2.624 -5.582 326 HG13 ILE 45 HG11 ILE 45 61.419 3.816 -6.804 327 HG21 ILE 45 HG21 ILE 45 63.236 5.470 -6.331 328 HG22 ILE 45 HG22 ILE 45 64.372 4.212 -5.843 329 HG23 ILE 45 HG23 ILE 45 63.994 5.530 -4.737 330 HD11 ILE 45 HD11 ILE 45 62.223 1.623 -7.419 331 HD12 ILE 45 HD12 ILE 45 63.054 1.469 -5.874 332 HD13 ILE 45 HD13 ILE 45 63.590 2.679 -7.043 333 H VAL 46 HN VAL 46 65.229 3.024 -2.822 334 HA VAL 46 HA VAL 46 64.843 5.276 -0.984 335 HB VAL 46 HB VAL 46 66.537 2.784 -0.534 336 HG11 VAL 46 HG11 VAL 46 66.015 5.133 1.295 337 HG12 VAL 46 HG12 VAL 46 67.537 4.784 0.479 338 HG13 VAL 46 HG13 VAL 46 66.926 3.680 1.714 339 HG21 VAL 46 HG21 VAL 46 64.923 2.400 1.361 340 HG22 VAL 46 HG22 VAL 46 64.221 2.238 -0.249 341 HG23 VAL 46 HG23 VAL 46 63.941 3.696 0.692 342 H VAL 47 HN VAL 47 66.157 6.911 -1.309 343 HA VAL 47 HA VAL 47 68.432 6.530 -3.089 344 HB VAL 47 HB VAL 47 67.336 9.127 -1.952 345 HG11 VAL 47 HG11 VAL 47 69.670 9.302 -2.589 346 HG12 VAL 47 HG12 VAL 47 68.673 10.186 -3.747 347 HG13 VAL 47 HG13 VAL 47 69.317 8.605 -4.167 348 HG21 VAL 47 HG21 VAL 47 65.684 8.056 -3.409 349 HG22 VAL 47 HG22 VAL 47 66.895 7.915 -4.684 350 HG23 VAL 47 HG23 VAL 47 66.345 9.509 -4.159 351 H VAL 48 HN VAL 48 70.248 6.059 -2.193 352 HA VAL 48 HA VAL 48 70.833 6.996 0.527 353 HB VAL 48 HB VAL 48 71.853 4.519 -0.901 354 HG11 VAL 48 HG11 VAL 48 73.548 5.436 0.585 355 HG12 VAL 48 HG12 VAL 48 72.898 3.931 1.240 356 HG13 VAL 48 HG13 VAL 48 72.386 5.479 1.911 357 HG21 VAL 48 HG21 VAL 48 70.608 3.289 0.821 358 HG22 VAL 48 HG22 VAL 48 69.557 4.249 -0.221 359 HG23 VAL 48 HG23 VAL 48 69.936 4.809 1.407 360 H GLU 49 HN GLU 49 72.450 8.437 0.595 361 HA GLU 49 HA GLU 49 74.383 8.214 -1.541 362 HB2 GLU 49 HB2 GLU 49 74.825 10.642 -1.449 363 HB3 GLU 49 HB1 GLU 49 73.181 10.223 -1.901 364 HG2 GLU 49 HG2 GLU 49 73.919 11.077 0.871 365 HG3 GLU 49 HG1 GLU 49 73.501 12.220 -0.398 366 H ALA 50 HN ALA 50 76.497 8.395 -1.169 367 HA ALA 50 HA ALA 50 77.361 8.601 1.575 368 HB1 ALA 50 HB1 ALA 50 76.841 6.221 1.321 369 HB2 ALA 50 HB2 ALA 50 78.577 6.478 1.491 370 HB3 ALA 50 HB3 ALA 50 77.885 6.149 -0.097 371 H GLU 51 HN GLU 51 79.604 8.855 1.727 372 HA GLU 51 HA GLU 51 80.682 10.508 -0.296 373 HB2 GLU 51 HB2 GLU 51 81.927 9.280 2.133 374 HB3 GLU 51 HB1 GLU 51 82.676 10.520 1.140 375 HG2 GLU 51 HG2 GLU 51 80.948 12.081 1.708 376 HG3 GLU 51 HG1 GLU 51 80.069 10.834 2.593 377 H ASP 52 HN ASP 52 82.220 7.645 1.081 378 HA ASP 52 HA ASP 52 83.567 7.223 -1.482 379 HB2 ASP 52 HB2 ASP 52 84.270 6.293 1.319 380 HB3 ASP 52 HB1 ASP 52 85.150 5.835 -0.132 381 H SER 53 HN SER 53 84.149 4.709 -1.673 382 HA SER 53 HA SER 53 81.645 3.448 -2.023 383 HB2 SER 53 HB2 SER 53 84.426 2.276 -2.265 384 HB3 SER 53 HB1 SER 53 82.941 1.595 -2.926 385 HG SER 53 HG SER 53 84.562 3.313 -4.058 386 H GLU 54 HN GLU 54 84.288 3.066 0.318 387 HA GLU 54 HA GLU 54 83.258 0.766 1.551 388 HB2 GLU 54 HB2 GLU 54 84.712 1.295 3.469 389 HB3 GLU 54 HB1 GLU 54 85.564 1.415 1.941 390 HG2 GLU 54 HG2 GLU 54 85.490 3.821 2.042 391 HG3 GLU 54 HG1 GLU 54 84.469 3.763 3.478 392 H THR 55 HN THR 55 82.687 4.188 2.215 393 HA THR 55 HA THR 55 81.073 3.737 4.462 394 HB THR 55 HB THR 55 80.191 6.101 3.877 395 HG1 THR 55 HG1 THR 55 81.029 5.780 1.576 396 HG21 THR 55 HG21 THR 55 82.259 7.160 4.650 397 HG22 THR 55 HG22 THR 55 83.162 5.690 4.285 398 HG23 THR 55 HG23 THR 55 81.946 5.683 5.560 399 H LEU 56 HN LEU 56 80.472 3.613 1.051 400 HA LEU 56 HA LEU 56 77.642 3.769 1.183 401 HB2 LEU 56 HB2 LEU 56 78.881 4.184 -0.897 402 HB3 LEU 56 HB1 LEU 56 79.439 2.529 -0.906 403 HG LEU 56 HG LEU 56 77.089 1.773 -1.159 404 HD11 LEU 56 HD11 LEU 56 75.385 3.387 -1.826 405 HD12 LEU 56 HD12 LEU 56 76.510 4.704 -1.519 406 HD13 LEU 56 HD13 LEU 56 75.960 3.687 -0.188 407 HD21 LEU 56 HD21 LEU 56 76.884 2.392 -3.518 408 HD22 LEU 56 HD22 LEU 56 78.548 1.984 -3.109 409 HD23 LEU 56 HD23 LEU 56 78.070 3.672 -3.288 410 H ILE 57 HN ILE 57 79.986 1.124 1.039 411 HA ILE 57 HA ILE 57 78.291 -1.064 0.924 412 HB ILE 57 HB ILE 57 80.919 -0.920 2.448 413 HG12 ILE 57 HG12 ILE 57 80.390 -1.711 -0.428 414 HG13 ILE 57 HG11 ILE 57 81.143 -0.213 0.092 415 HG21 ILE 57 HG21 ILE 57 79.431 -3.300 1.320 416 HG22 ILE 57 HG22 ILE 57 79.629 -2.910 3.029 417 HG23 ILE 57 HG23 ILE 57 81.032 -3.349 2.055 418 HD11 ILE 57 HD11 ILE 57 83.028 -1.485 1.007 419 HD12 ILE 57 HD12 ILE 57 82.789 -1.809 -0.710 420 HD13 ILE 57 HD13 ILE 57 82.253 -2.984 0.492 421 H GLN 58 HN GLN 58 79.603 0.528 3.785 422 HA GLN 58 HA GLN 58 78.468 -1.133 5.712 423 HB2 GLN 58 HB2 GLN 58 79.228 1.759 5.907 424 HB3 GLN 58 HB1 GLN 58 78.861 0.726 7.289 425 HG2 GLN 58 HG2 GLN 58 80.733 -0.713 6.707 426 HG3 GLN 58 HG1 GLN 58 81.080 0.288 5.302 427 HE21 GLN 58 HE21 GLN 58 80.080 1.542 8.396 428 HE22 GLN 58 HE22 GLN 58 81.575 2.297 8.783 429 H THR 59 HN THR 59 77.144 1.857 4.300 430 HA THR 59 HA THR 59 74.871 1.961 5.943 431 HB THR 59 HB THR 59 75.049 2.923 3.069 432 HG1 THR 59 HG1 THR 59 76.454 3.680 5.244 433 HG21 THR 59 HG21 THR 59 73.431 3.898 5.432 434 HG22 THR 59 HG22 THR 59 72.800 2.967 4.073 435 HG23 THR 59 HG23 THR 59 73.421 4.596 3.813 436 H ILE 60 HN ILE 60 75.472 0.422 2.810 437 HA ILE 60 HA ILE 60 72.881 -0.577 2.369 438 HB ILE 60 HB ILE 60 75.547 -1.648 1.383 439 HG12 ILE 60 HG12 ILE 60 73.528 0.170 0.039 440 HG13 ILE 60 HG11 ILE 60 75.067 0.672 0.730 441 HG21 ILE 60 HG21 ILE 60 73.789 -3.365 1.220 442 HG22 ILE 60 HG22 ILE 60 74.273 -2.791 -0.375 443 HG23 ILE 60 HG23 ILE 60 72.762 -2.231 0.339 444 HD11 ILE 60 HD11 ILE 60 75.182 0.492 -1.694 445 HD12 ILE 60 HD12 ILE 60 74.711 -1.203 -1.595 446 HD13 ILE 60 HD13 ILE 60 76.253 -0.675 -0.919 447 H GLU 61 HN GLU 61 75.681 -1.961 4.024 448 HA GLU 61 HA GLU 61 74.600 -4.490 4.561 449 HB2 GLU 61 HB2 GLU 61 76.571 -2.908 6.230 450 HB3 GLU 61 HB1 GLU 61 76.247 -4.626 6.405 451 HG2 GLU 61 HG2 GLU 61 77.095 -5.025 4.162 452 HG3 GLU 61 HG1 GLU 61 77.396 -3.302 3.957 453 H SER 62 HN SER 62 74.427 -1.463 6.375 454 HA SER 62 HA SER 62 72.986 -2.494 8.555 455 HB2 SER 62 HB2 SER 62 74.196 -0.246 8.480 456 HB3 SER 62 HB1 SER 62 72.867 0.349 7.500 457 HG SER 62 HG SER 62 72.520 -0.812 10.050 458 H VAL 63 HN VAL 63 71.928 -1.085 5.461 459 HA VAL 63 HA VAL 63 69.172 -1.117 5.960 460 HB VAL 63 HB VAL 63 70.638 -1.393 3.305 461 HG11 VAL 63 HG11 VAL 63 68.349 -2.228 3.061 462 HG12 VAL 63 HG12 VAL 63 68.543 -0.694 2.220 463 HG13 VAL 63 HG13 VAL 63 67.718 -0.744 3.776 464 HG21 VAL 63 HG21 VAL 63 70.115 0.991 3.043 465 HG22 VAL 63 HG22 VAL 63 71.101 0.686 4.474 466 HG23 VAL 63 HG23 VAL 63 69.373 0.996 4.644 467 H ARG 64 HN ARG 64 71.352 -3.542 4.688 468 HA ARG 64 HA ARG 64 69.428 -5.561 4.105 469 HB2 ARG 64 HB2 ARG 64 72.393 -5.730 4.586 470 HB3 ARG 64 HB1 ARG 64 71.414 -7.101 4.108 471 HG2 ARG 64 HG2 ARG 64 70.834 -5.974 2.026 472 HG3 ARG 64 HG1 ARG 64 71.804 -4.575 2.517 473 HD2 ARG 64 HD2 ARG 64 73.035 -6.053 0.980 474 HD3 ARG 64 HD1 ARG 64 73.796 -5.955 2.571 475 HE ARG 64 HE ARG 64 71.980 -8.145 2.341 476 HH11 ARG 64 HH11 ARG 64 75.316 -7.154 1.671 477 HH12 ARG 64 HH12 ARG 64 75.953 -8.726 1.752 478 HH21 ARG 64 HH21 ARG 64 72.817 -10.266 2.467 479 HH22 ARG 64 HH22 ARG 64 74.472 -10.573 2.221 480 H ASN 65 HN ASN 65 70.510 -4.376 7.016 481 HA ASN 65 HA ASN 65 70.230 -6.876 8.456 482 HB2 ASN 65 HB2 ASN 65 71.330 -4.206 9.103 483 HB3 ASN 65 HB1 ASN 65 70.560 -5.057 10.432 484 HD21 ASN 65 HD21 ASN 65 73.127 -5.215 8.056 485 HD22 ASN 65 HD22 ASN 65 74.071 -6.391 8.880 486 H VAL 66 HN VAL 66 68.038 -4.944 7.166 487 HA VAL 66 HA VAL 66 66.352 -4.838 9.502 488 HB VAL 66 HB VAL 66 65.602 -4.124 6.659 489 HG11 VAL 66 HG11 VAL 66 64.064 -3.568 9.224 490 HG12 VAL 66 HG12 VAL 66 63.714 -4.901 8.180 491 HG13 VAL 66 HG13 VAL 66 63.500 -3.237 7.579 492 HG21 VAL 66 HG21 VAL 66 65.686 -1.789 7.462 493 HG22 VAL 66 HG22 VAL 66 67.255 -2.580 7.585 494 HG23 VAL 66 HG23 VAL 66 66.263 -2.362 9.026 495 H GLU 67 HN GLU 67 64.892 -6.092 10.005 496 HA GLU 67 HA GLU 67 64.577 -8.686 9.371 497 HB2 GLU 67 HB2 GLU 67 63.757 -7.917 11.377 498 HB3 GLU 67 HB1 GLU 67 62.853 -6.611 10.626 499 HG2 GLU 67 HG2 GLU 67 61.245 -8.075 9.817 500 HG3 GLU 67 HG1 GLU 67 62.261 -9.455 10.225 501 H GLY 68 HN GLY 68 62.384 -6.095 8.266 502 HA2 GLY 68 HA2 GLY 68 60.829 -7.953 6.747 503 HA3 GLY 68 HA1 GLY 68 60.591 -6.221 6.829 504 H VAL 69 HN VAL 69 63.770 -6.872 5.876 505 HA VAL 69 HA VAL 69 63.002 -6.190 3.149 506 HB VAL 69 HB VAL 69 65.803 -6.136 4.405 507 HG11 VAL 69 HG11 VAL 69 65.940 -6.637 2.051 508 HG12 VAL 69 HG12 VAL 69 66.494 -4.992 2.386 509 HG13 VAL 69 HG13 VAL 69 64.896 -5.268 1.686 510 HG21 VAL 69 HG21 VAL 69 63.988 -3.889 3.555 511 HG22 VAL 69 HG22 VAL 69 65.567 -3.734 4.328 512 HG23 VAL 69 HG23 VAL 69 64.199 -4.418 5.217 513 H LEU 70 HN LEU 70 63.441 -7.416 1.376 514 HA LEU 70 HA LEU 70 64.171 -10.208 1.926 515 HB2 LEU 70 HB2 LEU 70 62.614 -9.019 -0.367 516 HB3 LEU 70 HB1 LEU 70 62.903 -10.719 -0.092 517 HG LEU 70 HG LEU 70 61.292 -8.972 1.761 518 HD11 LEU 70 HD11 LEU 70 59.353 -10.032 0.817 519 HD12 LEU 70 HD12 LEU 70 60.351 -10.945 -0.310 520 HD13 LEU 70 HD13 LEU 70 60.242 -9.184 -0.449 521 HD21 LEU 70 HD21 LEU 70 61.650 -11.964 1.590 522 HD22 LEU 70 HD22 LEU 70 60.534 -11.115 2.659 523 HD23 LEU 70 HD23 LEU 70 62.272 -10.904 2.859 524 H ALA 71 HN ALA 71 64.316 -7.700 -0.618 525 HA ALA 71 HA ALA 71 66.985 -8.667 -1.268 526 HB1 ALA 71 HB1 ALA 71 64.791 -8.112 -3.253 527 HB2 ALA 71 HB2 ALA 71 65.441 -9.700 -2.844 528 HB3 ALA 71 HB3 ALA 71 66.461 -8.505 -3.645 529 H VAL 72 HN VAL 72 68.362 -7.081 -1.458 530 HA VAL 72 HA VAL 72 67.335 -4.362 -1.835 531 HB VAL 72 HB VAL 72 70.054 -5.244 -0.783 532 HG11 VAL 72 HG11 VAL 72 70.359 -2.884 -0.161 533 HG12 VAL 72 HG12 VAL 72 68.804 -2.495 -0.891 534 HG13 VAL 72 HG13 VAL 72 70.128 -3.078 -1.900 535 HG21 VAL 72 HG21 VAL 72 67.684 -4.146 0.745 536 HG22 VAL 72 HG22 VAL 72 69.279 -4.434 1.423 537 HG23 VAL 72 HG23 VAL 72 68.316 -5.785 0.851 538 H SER 73 HN SER 73 67.400 -3.901 -3.905 539 HA SER 73 HA SER 73 69.501 -5.021 -5.585 540 HB2 SER 73 HB2 SER 73 66.877 -3.692 -6.201 541 HB3 SER 73 HB1 SER 73 67.931 -4.396 -7.429 542 HG SER 73 HG SER 73 67.580 -6.249 -5.636 543 H LEU 74 HN LEU 74 71.148 -3.739 -6.069 544 HA LEU 74 HA LEU 74 71.051 -0.917 -5.431 545 HB2 LEU 74 HB2 LEU 74 73.020 -2.879 -5.375 546 HB3 LEU 74 HB1 LEU 74 73.458 -1.914 -6.764 547 HG LEU 74 HG LEU 74 73.145 -0.911 -3.932 548 HD11 LEU 74 HD11 LEU 74 75.113 -2.285 -4.200 549 HD12 LEU 74 HD12 LEU 74 75.559 -0.586 -4.006 550 HD13 LEU 74 HD13 LEU 74 75.611 -1.330 -5.599 551 HD21 LEU 74 HD21 LEU 74 72.553 0.838 -5.546 552 HD22 LEU 74 HD22 LEU 74 74.074 0.568 -6.401 553 HD23 LEU 74 HD23 LEU 74 74.088 1.202 -4.756 554 H VAL 75 HN VAL 75 71.153 0.736 -6.930 555 HA VAL 75 HA VAL 75 70.135 0.322 -9.527 556 HB VAL 75 HB VAL 75 69.956 2.384 -8.036 557 HG11 VAL 75 HG11 VAL 75 72.663 3.008 -9.146 558 HG12 VAL 75 HG12 VAL 75 72.235 2.720 -7.461 559 HG13 VAL 75 HG13 VAL 75 71.627 4.150 -8.293 560 HG21 VAL 75 HG21 VAL 75 69.839 3.974 -9.942 561 HG22 VAL 75 HG22 VAL 75 69.066 2.428 -10.289 562 HG23 VAL 75 HG23 VAL 75 70.659 2.780 -10.950 563 H TYR 76 HN TYR 76 73.291 0.233 -8.299 564 HA TYR 76 HA TYR 76 74.463 -0.297 -10.872 565 HB2 TYR 76 HB2 TYR 76 74.769 2.133 -10.640 566 HB3 TYR 76 HB1 TYR 76 75.411 1.917 -9.021 567 HD1 TYR 76 HD2 TYR 76 76.096 1.161 -12.593 568 HD2 TYR 76 HD1 TYR 76 77.727 1.602 -8.690 569 HE1 TYR 76 HE2 TYR 76 78.362 1.014 -13.527 570 HE2 TYR 76 HE1 TYR 76 80.002 1.455 -9.619 571 HH TYR 76 HH TYR 76 80.606 1.771 -12.899 572 H HIS 77 HN HIS 77 75.909 -1.938 -10.566 573 HA HIS 77 HA HIS 77 76.197 -2.901 -7.859 574 HB2 HIS 77 HB2 HIS 77 75.825 -4.407 -9.895 575 HB3 HIS 77 HB1 HIS 77 77.489 -4.048 -10.343 576 HD1 HIS 77 HD1 HIS 77 79.401 -4.993 -8.612 577 HD2 HIS 77 HD2 HIS 77 75.492 -6.283 -7.945 578 HE1 HIS 77 HE1 HIS 77 79.569 -6.990 -7.120 579 H GLN 78 HN GLN 78 77.820 -2.378 -6.609 580 HA GLN 78 HA GLN 78 79.871 -0.669 -7.543 581 HB2 GLN 78 HB2 GLN 78 80.716 -0.727 -5.214 582 HB3 GLN 78 HB1 GLN 78 79.014 -0.333 -5.326 583 HG2 GLN 78 HG2 GLN 78 78.459 -2.641 -4.683 584 HG3 GLN 78 HG1 GLN 78 80.184 -2.989 -4.536 585 HE21 GLN 78 HE21 GLN 78 78.090 -3.061 -2.473 586 HE22 GLN 78 HE22 GLN 78 78.621 -1.957 -1.263 587 H GLN 79 HN GLN 79 82.200 -1.399 -6.300 588 HA GLN 79 HA GLN 79 82.901 -3.816 -7.816 589 HB2 GLN 79 HB2 GLN 79 84.924 -2.690 -8.570 590 HB3 GLN 79 HB1 GLN 79 83.481 -1.821 -9.085 591 HG2 GLN 79 HG2 GLN 79 83.828 -0.132 -7.480 592 HG3 GLN 79 HG1 GLN 79 85.062 -1.076 -6.648 593 HE21 GLN 79 HE21 GLN 79 84.886 -0.841 -10.135 594 HE22 GLN 79 HE22 GLN 79 86.297 0.119 -10.315 595 H GLU 80 HN GLU 80 85.113 -4.549 -7.245 596 HA GLU 80 HA GLU 80 85.572 -4.585 -4.408 597 HB2 GLU 80 HB2 GLU 80 87.113 -5.751 -6.748 598 HB3 GLU 80 HB1 GLU 80 87.564 -5.979 -5.071 599 HG2 GLU 80 HG2 GLU 80 84.933 -6.863 -6.229 600 HG3 GLU 80 HG1 GLU 80 86.363 -7.885 -6.145 601 H GLU 81 HN GLU 81 85.742 -2.157 -4.540 602 HA GLU 81 HA GLU 81 88.020 -0.944 -5.713 603 HB2 GLU 81 HB2 GLU 81 85.977 0.310 -4.945 604 HB3 GLU 81 HB1 GLU 81 86.495 0.040 -3.286 605 HG2 GLU 81 HG2 GLU 81 88.511 1.316 -3.687 606 HG3 GLU 81 HG1 GLU 81 88.048 1.552 -5.373 607 H GLN 82 HN GLN 82 87.277 -2.191 -2.571 608 HA GLN 82 HA GLN 82 90.130 -2.461 -2.025 609 HB2 GLN 82 HB2 GLN 82 87.805 -2.472 -0.062 610 HB3 GLN 82 HB1 GLN 82 89.485 -2.727 0.368 611 HG2 GLN 82 HG2 GLN 82 88.300 -0.201 -0.767 612 HG3 GLN 82 HG1 GLN 82 88.772 -0.467 0.905 613 HE21 GLN 82 HE21 GLN 82 91.247 -1.926 0.173 614 HE22 GLN 82 HE22 GLN 82 92.321 -0.729 -0.407 615 H GLY 83 HN GLY 83 90.325 -4.286 -3.246 616 HA2 GLY 83 HA2 GLY 83 88.450 -6.438 -2.849 617 HA3 GLY 83 HA1 GLY 83 89.735 -6.368 -4.043 618 H GLU 84 HN GLU 84 89.178 -8.553 -2.505 619 HA GLU 84 HA GLU 84 90.121 -10.182 -1.365 620 HB2 GLU 84 HB2 GLU 84 92.640 -8.543 -1.701 621 HB3 GLU 84 HB1 GLU 84 92.616 -10.198 -1.098 622 HG2 GLU 84 HG2 GLU 84 91.623 -10.961 -3.191 623 HG3 GLU 84 HG1 GLU 84 91.601 -9.308 -3.792 624 H GLU 85 HN GLU 85 89.000 -7.810 -0.054 625 HA GLU 85 HA GLU 85 90.185 -7.711 2.552 626 HB2 GLU 85 HB2 GLU 85 87.417 -6.989 1.561 627 HB3 GLU 85 HB1 GLU 85 87.948 -6.761 3.221 628 HG2 GLU 85 HG2 GLU 85 89.155 -5.468 0.791 629 HG3 GLU 85 HG1 GLU 85 88.085 -4.690 1.961 630 H THR 86 HN THR 86 87.895 -9.621 0.869 631 HA THR 86 HA THR 86 87.939 -11.473 3.094 632 HB THR 86 HB THR 86 85.646 -10.722 2.829 633 HG1 THR 86 HG1 THR 86 86.026 -13.316 1.776 634 HG21 THR 86 HG21 THR 86 84.357 -10.982 0.726 635 HG22 THR 86 HG22 THR 86 85.841 -11.465 -0.099 636 HG23 THR 86 HG23 THR 86 85.689 -9.839 0.566 637 HA PRO 87 HA PRO 87 90.389 -13.225 -0.270 638 HB2 PRO 87 HB2 PRO 87 92.162 -14.523 1.283 639 HB3 PRO 87 HB1 PRO 87 92.258 -12.776 1.011 640 HG2 PRO 87 HG2 PRO 87 91.275 -14.293 3.372 641 HG3 PRO 87 HG1 PRO 87 92.135 -12.748 3.311 642 HD2 PRO 87 HD2 PRO 87 89.395 -13.069 3.657 643 HD3 PRO 87 HD1 PRO 87 90.200 -11.568 3.150 644 H ARG 88 HN ARG 88 91.046 -15.466 -0.834 645 HA ARG 88 HA ARG 88 88.861 -17.239 -0.276 646 HB2 ARG 88 HB2 ARG 88 89.863 -18.778 -1.884 647 HB3 ARG 88 HB1 ARG 88 89.835 -17.150 -2.541 648 HG2 ARG 88 HG2 ARG 88 92.194 -16.900 -2.065 649 HG3 ARG 88 HG1 ARG 88 92.252 -18.512 -1.350 650 HD2 ARG 88 HD2 ARG 88 91.687 -17.762 -4.215 651 HD3 ARG 88 HD1 ARG 88 93.073 -18.654 -3.594 652 HE ARG 88 HE ARG 88 91.360 -20.369 -2.917 653 HH11 ARG 88 HH11 ARG 88 91.007 -18.343 -5.808 654 HH12 ARG 88 HH12 ARG 88 89.984 -19.403 -6.629 655 HH21 ARG 88 HH21 ARG 88 89.928 -21.867 -4.038 656 HH22 ARG 88 HH22 ARG 88 89.357 -21.484 -5.595 657 H SER 89 HN SER 89 92.134 -16.883 0.805 658 HA SER 89 HA SER 89 92.049 -19.362 2.277 659 HB2 SER 89 HB2 SER 89 94.182 -18.392 1.221 660 HB3 SER 89 HB1 SER 89 94.097 -17.107 2.419 661 HG SER 89 HG SER 89 94.867 -19.732 2.644 662 H HIS 90 HN HIS 90 90.823 -19.352 4.053 663 HA HIS 90 HA HIS 90 89.937 -16.876 5.198 664 HB2 HIS 90 HB2 HIS 90 89.317 -19.731 6.000 665 HB3 HIS 90 HB1 HIS 90 88.551 -18.305 6.698 666 HD1 HIS 90 HD1 HIS 90 87.733 -20.832 4.407 667 HD2 HIS 90 HD2 HIS 90 87.438 -16.682 4.282 668 HE1 HIS 90 HE1 HIS 90 86.010 -20.305 2.654 669 H HIS 91 HN HIS 91 92.399 -19.121 5.840 670 HA HIS 91 HA HIS 91 92.870 -18.088 8.512 671 HB2 HIS 91 HB2 HIS 91 94.409 -20.083 6.822 672 HB3 HIS 91 HB1 HIS 91 94.951 -19.529 8.401 673 HD1 HIS 91 HD1 HIS 91 94.266 -21.045 10.291 674 HD2 HIS 91 HD2 HIS 91 91.730 -21.354 7.006 675 HE1 HIS 91 HE1 HIS 91 92.657 -22.894 10.815 676 H HIS 92 HN HIS 92 94.573 -16.758 8.995 677 HA HIS 92 HA HIS 92 95.325 -15.110 6.807 678 HB2 HIS 92 HB2 HIS 92 95.653 -14.828 9.755 679 HB3 HIS 92 HB1 HIS 92 96.540 -13.770 8.659 680 HD1 HIS 92 HD1 HIS 92 95.172 -12.016 7.341 681 HD2 HIS 92 HD2 HIS 92 92.881 -14.482 9.769 682 HE1 HIS 92 HE1 HIS 92 92.856 -11.031 7.350 683 H HIS 93 HN HIS 93 97.367 -14.291 6.448 684 HA HIS 93 HA HIS 93 99.201 -16.351 5.786 685 HB2 HIS 93 HB2 HIS 93 98.718 -14.431 4.343 686 HB3 HIS 93 HB1 HIS 93 99.301 -13.332 5.569 687 HD1 HIS 93 HD1 HIS 93 101.533 -12.430 4.983 688 HD2 HIS 93 HD2 HIS 93 100.972 -16.289 3.543 689 HE1 HIS 93 HE1 HIS 93 103.599 -12.986 3.675 690 H HIS 94 HN HIS 94 98.940 -13.933 8.252 691 HA HIS 94 HA HIS 94 101.655 -14.318 9.163 692 HB2 HIS 94 HB2 HIS 94 99.436 -12.556 10.246 693 HB3 HIS 94 HB1 HIS 94 101.073 -12.617 10.891 694 HD1 HIS 94 HD1 HIS 94 99.269 -10.332 9.014 695 HD2 HIS 94 HD2 HIS 94 102.859 -12.312 8.315 696 HE1 HIS 94 HE1 HIS 94 100.493 -8.979 7.296 697 H HIS 95 HN HIS 95 102.257 -15.428 10.855 698 HA HIS 95 HA HIS 95 100.204 -16.907 12.307 699 HB2 HIS 95 HB2 HIS 95 101.826 -18.749 12.580 700 HB3 HIS 95 HB1 HIS 95 101.518 -18.429 10.883 701 HD1 HIS 95 HD1 HIS 95 104.239 -19.152 13.129 702 HD2 HIS 95 HD2 HIS 95 103.752 -16.727 9.779 703 HE1 HIS 95 HE1 HIS 95 106.537 -18.729 12.232 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 91.931 14.014 -1.850 2 H2 MET 1 HT2 MET 1 91.199 14.061 -3.388 3 H3 MET 1 HT3 MET 1 91.253 12.638 -2.529 4 HA MET 1 HA MET 1 89.790 13.438 -0.875 5 HB2 MET 1 HB2 MET 1 89.834 15.961 -2.538 6 HB3 MET 1 HB1 MET 1 88.604 15.619 -1.337 7 HG2 MET 1 HG2 MET 1 90.330 15.553 0.398 8 HG3 MET 1 HG1 MET 1 91.551 15.927 -0.816 9 HE1 MET 1 HE1 MET 1 91.255 19.223 1.296 10 HE2 MET 1 HE2 MET 1 92.337 17.960 0.712 11 HE3 MET 1 HE3 MET 1 91.077 17.568 1.886 12 H HIS 2 HN HIS 2 87.739 12.705 -1.172 13 HA HIS 2 HA HIS 2 87.005 12.173 -3.925 14 HB2 HIS 2 HB2 HIS 2 86.774 10.438 -2.016 15 HB3 HIS 2 HB1 HIS 2 85.383 11.385 -1.493 16 HD1 HIS 2 HD1 HIS 2 83.242 10.289 -2.337 17 HD2 HIS 2 HD2 HIS 2 86.414 9.896 -4.999 18 HE1 HIS 2 HE1 HIS 2 82.347 9.060 -4.338 19 H THR 3 HN THR 3 85.326 13.439 -1.073 20 HA THR 3 HA THR 3 83.743 14.887 -0.729 21 HB THR 3 HB THR 3 83.793 17.093 -2.055 22 HG1 THR 3 HG1 THR 3 85.393 15.663 -3.626 23 HG21 THR 3 HG21 THR 3 84.854 16.840 0.108 24 HG22 THR 3 HG22 THR 3 85.874 17.818 -0.949 25 HG23 THR 3 HG23 THR 3 86.278 16.129 -0.648 26 H ASN 4 HN ASN 4 81.713 15.767 -1.184 27 HA ASN 4 HA ASN 4 79.657 15.886 -2.122 28 HB2 ASN 4 HB2 ASN 4 81.025 14.986 -4.676 29 HB3 ASN 4 HB1 ASN 4 79.324 15.420 -4.562 30 HD21 ASN 4 HD21 ASN 4 78.777 17.560 -4.380 31 HD22 ASN 4 HD22 ASN 4 79.910 18.844 -4.609 32 H TRP 5 HN TRP 5 78.039 14.652 -1.848 33 HA TRP 5 HA TRP 5 78.434 11.890 -1.367 34 HB2 TRP 5 HB2 TRP 5 75.884 11.887 -1.181 35 HB3 TRP 5 HB1 TRP 5 76.739 12.859 -0.010 36 HD1 TRP 5 HD1 TRP 5 76.343 15.482 -0.093 37 HE1 TRP 5 HE1 TRP 5 74.698 16.950 -1.391 38 HE3 TRP 5 HE3 TRP 5 74.717 12.029 -3.296 39 HZ2 TRP 5 HZ2 TRP 5 72.855 16.619 -3.551 40 HZ3 TRP 5 HZ3 TRP 5 72.988 12.618 -5.010 41 HH2 TRP 5 HH2 TRP 5 72.085 14.892 -5.112 42 H GLN 6 HN GLN 6 77.863 10.177 -2.452 43 HA GLN 6 HA GLN 6 76.907 10.544 -5.188 44 HB2 GLN 6 HB2 GLN 6 78.105 8.348 -5.624 45 HB3 GLN 6 HB1 GLN 6 79.171 9.711 -5.304 46 HG2 GLN 6 HG2 GLN 6 79.514 8.968 -3.048 47 HG3 GLN 6 HG1 GLN 6 78.352 7.674 -3.245 48 HE21 GLN 6 HE21 GLN 6 79.875 6.188 -2.667 49 HE22 GLN 6 HE22 GLN 6 81.136 5.686 -3.741 50 H VAL 7 HN VAL 7 75.350 8.990 -5.845 51 HA VAL 7 HA VAL 7 74.051 7.782 -3.520 52 HB VAL 7 HB VAL 7 71.904 8.025 -4.651 53 HG11 VAL 7 HG11 VAL 7 73.419 10.607 -4.386 54 HG12 VAL 7 HG12 VAL 7 72.631 9.702 -3.092 55 HG13 VAL 7 HG13 VAL 7 71.660 10.439 -4.371 56 HG21 VAL 7 HG21 VAL 7 73.431 9.591 -6.723 57 HG22 VAL 7 HG22 VAL 7 71.674 9.457 -6.628 58 HG23 VAL 7 HG23 VAL 7 72.654 8.032 -6.974 59 H CYS 8 HN CYS 8 72.806 5.970 -3.869 60 HA CYS 8 HA CYS 8 73.076 4.523 -6.350 61 HB2 CYS 8 HB2 CYS 8 73.802 3.358 -3.637 62 HB3 CYS 8 HB1 CYS 8 73.560 2.408 -5.095 63 HG CYS 8 HG CYS 8 75.681 4.750 -5.766 64 H SER 9 HN SER 9 71.125 3.829 -6.894 65 HA SER 9 HA SER 9 68.977 3.967 -5.008 66 HB2 SER 9 HB2 SER 9 68.510 4.786 -7.218 67 HB3 SER 9 HB1 SER 9 69.082 3.290 -7.974 68 HG SER 9 HG SER 9 67.168 2.526 -7.695 69 H LEU 10 HN LEU 10 68.018 2.329 -4.140 70 HA LEU 10 HA LEU 10 68.988 -0.385 -4.729 71 HB2 LEU 10 HB2 LEU 10 68.057 0.753 -2.123 72 HB3 LEU 10 HB1 LEU 10 68.635 -0.869 -2.380 73 HG LEU 10 HG LEU 10 70.312 1.619 -2.659 74 HD11 LEU 10 HD11 LEU 10 70.219 -0.457 -0.457 75 HD12 LEU 10 HD12 LEU 10 69.677 1.214 -0.328 76 HD13 LEU 10 HD13 LEU 10 71.386 0.859 -0.570 77 HD21 LEU 10 HD21 LEU 10 71.122 -0.147 -4.068 78 HD22 LEU 10 HD22 LEU 10 71.048 -1.301 -2.740 79 HD23 LEU 10 HD23 LEU 10 72.204 0.034 -2.687 80 H VAL 11 HN VAL 11 67.388 -1.555 -5.497 81 HA VAL 11 HA VAL 11 64.633 -0.750 -4.949 82 HB VAL 11 HB VAL 11 65.552 -3.067 -6.704 83 HG11 VAL 11 HG11 VAL 11 63.281 -2.994 -7.609 84 HG12 VAL 11 HG12 VAL 11 62.869 -1.729 -6.456 85 HG13 VAL 11 HG13 VAL 11 63.297 -3.342 -5.882 86 HG21 VAL 11 HG21 VAL 11 65.062 -1.626 -8.620 87 HG22 VAL 11 HG22 VAL 11 66.343 -0.929 -7.621 88 HG23 VAL 11 HG23 VAL 11 64.700 -0.293 -7.523 89 H VAL 12 HN VAL 12 64.071 -1.330 -3.069 90 HA VAL 12 HA VAL 12 65.034 -3.790 -1.877 91 HB VAL 12 HB VAL 12 63.463 -1.494 -0.689 92 HG11 VAL 12 HG11 VAL 12 63.111 -3.595 0.515 93 HG12 VAL 12 HG12 VAL 12 64.044 -2.449 1.475 94 HG13 VAL 12 HG13 VAL 12 64.857 -3.788 0.682 95 HG21 VAL 12 HG21 VAL 12 66.402 -2.137 -0.503 96 HG22 VAL 12 HG22 VAL 12 65.572 -0.861 0.389 97 HG23 VAL 12 HG23 VAL 12 65.677 -0.785 -1.373 98 H GLN 13 HN GLN 13 63.851 -5.485 -2.247 99 HA GLN 13 HA GLN 13 60.972 -5.336 -2.610 100 HB2 GLN 13 HB2 GLN 13 62.325 -6.908 -3.952 101 HB3 GLN 13 HB1 GLN 13 62.909 -7.665 -2.480 102 HG2 GLN 13 HG2 GLN 13 60.554 -8.283 -1.949 103 HG3 GLN 13 HG1 GLN 13 60.099 -7.679 -3.539 104 HE21 GLN 13 HE21 GLN 13 62.569 -8.636 -4.796 105 HE22 GLN 13 HE22 GLN 13 62.394 -10.339 -4.916 106 H ALA 14 HN ALA 14 59.712 -5.330 -0.824 107 HA ALA 14 HA ALA 14 60.713 -6.658 1.578 108 HB1 ALA 14 HB1 ALA 14 61.271 -4.312 1.782 109 HB2 ALA 14 HB2 ALA 14 59.949 -4.730 2.887 110 HB3 ALA 14 HB3 ALA 14 59.611 -3.867 1.393 111 H LYS 15 HN LYS 15 58.918 -6.751 3.207 112 HA LYS 15 HA LYS 15 56.569 -7.933 2.162 113 HB2 LYS 15 HB2 LYS 15 57.316 -6.933 4.886 114 HB3 LYS 15 HB1 LYS 15 55.667 -7.413 4.566 115 HG2 LYS 15 HG2 LYS 15 56.886 -9.190 5.661 116 HG3 LYS 15 HG1 LYS 15 56.445 -9.675 4.032 117 HD2 LYS 15 HD2 LYS 15 58.685 -9.423 3.293 118 HD3 LYS 15 HD1 LYS 15 59.148 -8.597 4.790 119 HE2 LYS 15 HE2 LYS 15 59.892 -10.928 4.811 120 HE3 LYS 15 HE1 LYS 15 58.704 -10.596 6.061 121 HZ1 LYS 15 HZ1 LYS 15 58.217 -12.674 5.036 122 HZ2 LYS 15 HZ2 LYS 15 58.182 -12.008 3.495 123 HZ3 LYS 15 HZ3 LYS 15 57.000 -11.598 4.618 124 H SER 16 HN SER 16 54.857 -7.010 1.284 125 HA SER 16 HA SER 16 54.554 -4.280 0.867 126 HB2 SER 16 HB2 SER 16 52.440 -6.426 0.709 127 HB3 SER 16 HB1 SER 16 52.520 -4.918 -0.217 128 HG SER 16 HG SER 16 53.809 -5.811 -1.549 129 H GLU 17 HN GLU 17 53.300 -6.427 3.306 130 HA GLU 17 HA GLU 17 51.376 -4.516 4.332 131 HB2 GLU 17 HB2 GLU 17 50.858 -6.261 5.946 132 HB3 GLU 17 HB1 GLU 17 50.852 -6.872 4.296 133 HG2 GLU 17 HG2 GLU 17 53.056 -7.843 4.632 134 HG3 GLU 17 HG1 GLU 17 53.096 -7.190 6.265 135 H ARG 18 HN ARG 18 54.634 -4.721 4.612 136 HA ARG 18 HA ARG 18 54.571 -3.670 7.349 137 HB2 ARG 18 HB2 ARG 18 55.582 -5.983 7.153 138 HB3 ARG 18 HB1 ARG 18 56.832 -5.267 6.138 139 HG2 ARG 18 HG2 ARG 18 57.525 -3.842 7.956 140 HG3 ARG 18 HG1 ARG 18 56.247 -4.492 8.977 141 HD2 ARG 18 HD2 ARG 18 57.272 -6.668 8.891 142 HD3 ARG 18 HD1 ARG 18 58.521 -6.075 7.797 143 HE ARG 18 HE ARG 18 58.728 -4.386 9.888 144 HH11 ARG 18 HH11 ARG 18 58.810 -7.927 9.718 145 HH12 ARG 18 HH12 ARG 18 59.717 -8.077 11.158 146 HH21 ARG 18 HH21 ARG 18 59.950 -4.639 11.823 147 HH22 ARG 18 HH22 ARG 18 60.384 -6.198 12.364 148 H ILE 19 HN ILE 19 54.552 -2.558 4.524 149 HA ILE 19 HA ILE 19 57.032 -1.412 3.925 150 HB ILE 19 HB ILE 19 54.252 -0.678 3.040 151 HG12 ILE 19 HG12 ILE 19 55.108 -2.805 2.257 152 HG13 ILE 19 HG11 ILE 19 54.942 -1.686 0.912 153 HG21 ILE 19 HG21 ILE 19 55.312 0.711 1.255 154 HG22 ILE 19 HG22 ILE 19 56.822 0.597 2.189 155 HG23 ILE 19 HG23 ILE 19 55.418 1.372 2.886 156 HD11 ILE 19 HD11 ILE 19 57.495 -2.530 2.288 157 HD12 ILE 19 HD12 ILE 19 57.400 -1.287 1.049 158 HD13 ILE 19 HD13 ILE 19 56.967 -2.948 0.660 159 H SER 20 HN SER 20 54.305 -0.034 5.718 160 HA SER 20 HA SER 20 55.375 2.543 6.044 161 HB2 SER 20 HB2 SER 20 53.570 1.025 7.938 162 HB3 SER 20 HB1 SER 20 53.724 2.778 7.816 163 HG SER 20 HG SER 20 51.980 2.286 6.622 164 H ASP 21 HN ASP 21 55.928 -0.414 7.719 165 HA ASP 21 HA ASP 21 57.316 0.635 10.000 166 HB2 ASP 21 HB2 ASP 21 56.078 -1.449 10.088 167 HB3 ASP 21 HB1 ASP 21 57.047 -2.113 8.790 168 H ILE 22 HN ILE 22 58.250 -1.117 7.111 169 HA ILE 22 HA ILE 22 61.043 -1.075 7.570 170 HB ILE 22 HB ILE 22 59.495 -1.501 5.000 171 HG12 ILE 22 HG12 ILE 22 60.641 -3.512 6.933 172 HG13 ILE 22 HG11 ILE 22 58.958 -2.995 6.901 173 HG21 ILE 22 HG21 ILE 22 62.357 -2.240 5.670 174 HG22 ILE 22 HG22 ILE 22 61.850 -0.965 4.557 175 HG23 ILE 22 HG23 ILE 22 61.499 -2.647 4.182 176 HD11 ILE 22 HD11 ILE 22 60.468 -4.446 4.764 177 HD12 ILE 22 HD12 ILE 22 58.822 -3.832 4.594 178 HD13 ILE 22 HD13 ILE 22 59.173 -5.093 5.774 179 H SER 23 HN SER 23 58.970 1.073 5.608 180 HA SER 23 HA SER 23 61.081 2.437 4.388 181 HB2 SER 23 HB2 SER 23 58.291 3.452 4.992 182 HB3 SER 23 HB1 SER 23 59.411 4.150 3.820 183 HG SER 23 HG SER 23 57.985 1.756 3.776 184 H THR 24 HN THR 24 59.566 2.890 7.515 185 HA THR 24 HA THR 24 60.642 5.498 7.940 186 HB THR 24 HB THR 24 59.424 3.482 9.846 187 HG1 THR 24 HG1 THR 24 57.613 4.118 8.995 188 HG21 THR 24 HG21 THR 24 60.762 5.177 11.022 189 HG22 THR 24 HG22 THR 24 59.042 5.414 11.328 190 HG23 THR 24 HG23 THR 24 59.889 6.461 10.188 191 H GLN 25 HN GLN 25 61.444 2.227 8.585 192 HA GLN 25 HA GLN 25 63.602 2.686 10.297 193 HB2 GLN 25 HB2 GLN 25 62.264 0.500 8.933 194 HB3 GLN 25 HB1 GLN 25 63.886 0.126 9.382 195 HG2 GLN 25 HG2 GLN 25 63.317 0.809 11.724 196 HG3 GLN 25 HG1 GLN 25 61.677 1.144 11.186 197 HE21 GLN 25 HE21 GLN 25 63.531 -1.604 10.087 198 HE22 GLN 25 HE22 GLN 25 62.549 -2.759 10.941 199 H LEU 26 HN LEU 26 63.321 2.150 6.745 200 HA LEU 26 HA LEU 26 66.065 2.096 6.280 201 HB2 LEU 26 HB2 LEU 26 63.817 2.937 4.391 202 HB3 LEU 26 HB1 LEU 26 65.456 2.590 4.028 203 HG LEU 26 HG LEU 26 63.676 0.515 5.266 204 HD11 LEU 26 HD11 LEU 26 63.432 -0.413 3.020 205 HD12 LEU 26 HD12 LEU 26 64.241 1.006 2.352 206 HD13 LEU 26 HD13 LEU 26 62.690 1.176 3.168 207 HD21 LEU 26 HD21 LEU 26 65.364 -1.019 4.364 208 HD22 LEU 26 HD22 LEU 26 66.061 0.136 5.503 209 HD23 LEU 26 HD23 LEU 26 66.273 0.371 3.770 210 H ASN 27 HN ASN 27 63.697 4.624 6.478 211 HA ASN 27 HA ASN 27 65.387 6.758 5.637 212 HB2 ASN 27 HB2 ASN 27 62.788 6.650 7.094 213 HB3 ASN 27 HB1 ASN 27 63.599 8.182 6.745 214 HD21 ASN 27 HD21 ASN 27 61.015 7.215 5.879 215 HD22 ASN 27 HD22 ASN 27 61.048 7.184 4.159 216 H ALA 28 HN ALA 28 65.530 4.969 8.436 217 HA ALA 28 HA ALA 28 66.185 7.172 10.182 218 HB1 ALA 28 HB1 ALA 28 66.502 5.475 11.901 219 HB2 ALA 28 HB2 ALA 28 66.348 4.201 10.693 220 HB3 ALA 28 HB3 ALA 28 64.965 5.229 11.069 221 H PHE 29 HN PHE 29 67.869 5.028 7.998 222 HA PHE 29 HA PHE 29 70.316 5.103 9.336 223 HB2 PHE 29 HB2 PHE 29 69.493 4.331 6.551 224 HB3 PHE 29 HB1 PHE 29 71.113 4.147 7.197 225 HD1 PHE 29 HD2 PHE 29 71.075 2.853 9.568 226 HD2 PHE 29 HD1 PHE 29 68.191 2.545 6.489 227 HE1 PHE 29 HE2 PHE 29 70.400 0.646 10.448 228 HE2 PHE 29 HE1 PHE 29 67.487 0.332 7.349 229 HZ PHE 29 HZ PHE 29 68.600 -0.617 9.335 230 HA PRO 30 HA PRO 30 71.815 9.055 8.095 231 HB2 PRO 30 HB2 PRO 30 74.451 7.851 7.581 232 HB3 PRO 30 HB1 PRO 30 73.993 9.087 8.757 233 HG2 PRO 30 HG2 PRO 30 74.597 6.586 9.509 234 HG3 PRO 30 HG1 PRO 30 73.351 7.536 10.334 235 HD2 PRO 30 HD2 PRO 30 73.056 5.340 8.336 236 HD3 PRO 30 HD1 PRO 30 72.102 5.691 9.793 237 H GLY 31 HN GLY 31 71.192 9.848 6.196 238 HA2 GLY 31 HA2 GLY 31 71.519 10.565 4.016 239 HA3 GLY 31 HA1 GLY 31 72.826 9.405 3.857 240 H CYS 32 HN CYS 32 70.294 7.710 5.041 241 HA CYS 32 HA CYS 32 69.703 6.648 2.411 242 HB2 CYS 32 HB2 CYS 32 70.538 5.140 4.078 243 HB3 CYS 32 HB1 CYS 32 69.293 5.663 5.204 244 HG CYS 32 HG CYS 32 67.498 4.097 4.508 245 H GLU 33 HN GLU 33 67.880 7.226 1.463 246 HA GLU 33 HA GLU 33 65.516 7.711 3.112 247 HB2 GLU 33 HB2 GLU 33 66.300 9.935 2.521 248 HB3 GLU 33 HB1 GLU 33 66.463 9.465 0.837 249 HG2 GLU 33 HG2 GLU 33 64.038 9.156 0.688 250 HG3 GLU 33 HG1 GLU 33 63.877 9.630 2.370 251 H VAL 34 HN VAL 34 63.726 6.851 2.371 252 HA VAL 34 HA VAL 34 63.729 5.240 -0.016 253 HB VAL 34 HB VAL 34 61.393 5.979 1.783 254 HG11 VAL 34 HG11 VAL 34 60.351 3.941 0.882 255 HG12 VAL 34 HG12 VAL 34 61.733 3.737 -0.202 256 HG13 VAL 34 HG13 VAL 34 60.681 5.139 -0.371 257 HG21 VAL 34 HG21 VAL 34 63.155 4.873 3.070 258 HG22 VAL 34 HG22 VAL 34 63.140 3.523 1.929 259 HG23 VAL 34 HG23 VAL 34 61.724 3.858 2.917 260 H ALA 35 HN ALA 35 63.628 6.309 -1.843 261 HA ALA 35 HA ALA 35 62.496 8.947 -1.993 262 HB1 ALA 35 HB1 ALA 35 63.681 7.235 -4.174 263 HB2 ALA 35 HB2 ALA 35 64.562 8.392 -3.176 264 HB3 ALA 35 HB3 ALA 35 63.315 8.960 -4.282 265 H VAL 36 HN VAL 36 61.765 5.742 -3.200 266 HA VAL 36 HA VAL 36 59.083 6.691 -3.935 267 HB VAL 36 HB VAL 36 60.644 4.582 -5.469 268 HG11 VAL 36 HG11 VAL 36 58.869 4.733 -7.112 269 HG12 VAL 36 HG12 VAL 36 58.025 5.886 -6.081 270 HG13 VAL 36 HG13 VAL 36 58.272 4.227 -5.530 271 HG21 VAL 36 HG21 VAL 36 60.073 7.432 -6.282 272 HG22 VAL 36 HG22 VAL 36 60.799 6.202 -7.311 273 HG23 VAL 36 HG23 VAL 36 61.657 6.771 -5.877 274 H SER 37 HN SER 37 57.735 5.704 -2.533 275 HA SER 37 HA SER 37 58.387 2.982 -1.740 276 HB2 SER 37 HB2 SER 37 56.826 3.489 0.186 277 HB3 SER 37 HB1 SER 37 58.320 4.426 0.174 278 HG SER 37 HG SER 37 55.826 5.283 0.186 279 H ASP 38 HN ASP 38 57.243 1.538 -2.976 280 HA ASP 38 HA ASP 38 54.493 2.317 -3.631 281 HB2 ASP 38 HB2 ASP 38 56.000 2.048 -5.634 282 HB3 ASP 38 HB1 ASP 38 56.214 0.362 -5.147 283 H ALA 39 HN ALA 39 53.631 1.538 -1.806 284 HA ALA 39 HA ALA 39 54.109 -0.916 -0.627 285 HB1 ALA 39 HB1 ALA 39 51.534 0.647 -0.513 286 HB2 ALA 39 HB2 ALA 39 52.950 0.941 0.499 287 HB3 ALA 39 HB3 ALA 39 52.064 -0.576 0.638 288 HA PRO 40 HA PRO 40 50.111 -2.484 -3.383 289 HB2 PRO 40 HB2 PRO 40 50.864 -1.671 -5.988 290 HB3 PRO 40 HB1 PRO 40 49.505 -1.044 -5.044 291 HG2 PRO 40 HG2 PRO 40 52.316 -0.073 -5.183 292 HG3 PRO 40 HG1 PRO 40 50.913 0.948 -5.330 293 HD2 PRO 40 HD2 PRO 40 52.083 0.956 -3.080 294 HD3 PRO 40 HD1 PRO 40 50.360 0.496 -2.993 295 H SER 41 HN SER 41 53.401 -2.030 -4.840 296 HA SER 41 HA SER 41 53.380 -4.836 -5.561 297 HB2 SER 41 HB2 SER 41 55.616 -4.331 -6.595 298 HB3 SER 41 HB1 SER 41 54.299 -3.337 -7.217 299 HG SER 41 HG SER 41 54.996 -1.636 -6.030 300 H GLY 42 HN GLY 42 54.802 -2.751 -3.172 301 HA2 GLY 42 HA2 GLY 42 55.644 -3.453 -1.090 302 HA3 GLY 42 HA1 GLY 42 55.851 -5.076 -1.740 303 H GLN 43 HN GLN 43 56.890 -2.322 -3.542 304 HA GLN 43 HA GLN 43 59.662 -3.088 -3.038 305 HB2 GLN 43 HB2 GLN 43 58.303 -2.150 -5.546 306 HB3 GLN 43 HB1 GLN 43 60.052 -2.271 -5.374 307 HG2 GLN 43 HG2 GLN 43 59.976 -4.610 -5.122 308 HG3 GLN 43 HG1 GLN 43 58.236 -4.598 -4.861 309 HE21 GLN 43 HE21 GLN 43 59.698 -2.671 -7.374 310 HE22 GLN 43 HE22 GLN 43 59.108 -3.634 -8.670 311 H LEU 44 HN LEU 44 61.001 -1.576 -2.440 312 HA LEU 44 HA LEU 44 60.059 1.212 -2.368 313 HB2 LEU 44 HB2 LEU 44 61.932 -0.209 -0.464 314 HB3 LEU 44 HB1 LEU 44 61.409 1.459 -0.349 315 HG LEU 44 HG LEU 44 59.599 -0.944 -0.075 316 HD11 LEU 44 HD11 LEU 44 60.721 0.903 2.024 317 HD12 LEU 44 HD12 LEU 44 61.179 -0.785 1.784 318 HD13 LEU 44 HD13 LEU 44 59.543 -0.377 2.298 319 HD21 LEU 44 HD21 LEU 44 58.475 1.052 -0.921 320 HD22 LEU 44 HD22 LEU 44 59.095 1.974 0.462 321 HD23 LEU 44 HD23 LEU 44 57.971 0.652 0.712 322 H ILE 45 HN ILE 45 61.425 2.695 -3.190 323 HA ILE 45 HA ILE 45 64.015 1.764 -4.214 324 HB ILE 45 HB ILE 45 62.451 4.300 -4.796 325 HG12 ILE 45 HG12 ILE 45 61.453 2.263 -5.803 326 HG13 ILE 45 HG11 ILE 45 62.045 3.389 -7.030 327 HG21 ILE 45 HG21 ILE 45 64.106 4.762 -6.549 328 HG22 ILE 45 HG22 ILE 45 65.037 3.359 -6.027 329 HG23 ILE 45 HG23 ILE 45 64.828 4.732 -4.939 330 HD11 ILE 45 HD11 ILE 45 62.530 1.093 -7.616 331 HD12 ILE 45 HD12 ILE 45 63.379 0.859 -6.089 332 HD13 ILE 45 HD13 ILE 45 64.026 1.973 -7.297 333 H VAL 46 HN VAL 46 65.647 2.207 -2.960 334 HA VAL 46 HA VAL 46 65.422 4.425 -1.069 335 HB VAL 46 HB VAL 46 66.976 1.815 -0.860 336 HG11 VAL 46 HG11 VAL 46 67.874 2.641 1.262 337 HG12 VAL 46 HG12 VAL 46 67.118 4.208 0.972 338 HG13 VAL 46 HG13 VAL 46 68.413 3.642 -0.083 339 HG21 VAL 46 HG21 VAL 46 64.919 3.047 0.998 340 HG22 VAL 46 HG22 VAL 46 65.719 1.501 1.171 341 HG23 VAL 46 HG23 VAL 46 64.604 1.761 -0.173 342 H VAL 47 HN VAL 47 66.798 6.021 -1.207 343 HA VAL 47 HA VAL 47 69.028 5.766 -3.076 344 HB VAL 47 HB VAL 47 67.478 8.247 -2.251 345 HG11 VAL 47 HG11 VAL 47 68.841 9.437 -3.910 346 HG12 VAL 47 HG12 VAL 47 69.752 7.962 -4.219 347 HG13 VAL 47 HG13 VAL 47 69.850 8.740 -2.640 348 HG21 VAL 47 HG21 VAL 47 67.605 6.804 -4.899 349 HG22 VAL 47 HG22 VAL 47 66.761 8.324 -4.585 350 HG23 VAL 47 HG23 VAL 47 66.231 6.840 -3.789 351 H VAL 48 HN VAL 48 70.803 5.524 -2.017 352 HA VAL 48 HA VAL 48 71.080 6.663 0.656 353 HB VAL 48 HB VAL 48 72.839 4.671 -0.814 354 HG11 VAL 48 HG11 VAL 48 74.117 6.007 0.784 355 HG12 VAL 48 HG12 VAL 48 73.964 4.338 1.333 356 HG13 VAL 48 HG13 VAL 48 72.966 5.599 2.059 357 HG21 VAL 48 HG21 VAL 48 70.895 4.245 1.452 358 HG22 VAL 48 HG22 VAL 48 71.964 3.019 0.776 359 HG23 VAL 48 HG23 VAL 48 70.679 3.720 -0.217 360 H GLU 49 HN GLU 49 72.153 8.497 0.873 361 HA GLU 49 HA GLU 49 73.987 9.356 -1.254 362 HB2 GLU 49 HB2 GLU 49 72.733 10.928 1.017 363 HB3 GLU 49 HB1 GLU 49 73.786 11.606 -0.206 364 HG2 GLU 49 HG2 GLU 49 72.129 11.171 -1.908 365 HG3 GLU 49 HG1 GLU 49 71.056 10.420 -0.712 366 H ALA 50 HN ALA 50 76.058 9.068 -0.796 367 HA ALA 50 HA ALA 50 77.026 9.569 1.891 368 HB1 ALA 50 HB1 ALA 50 76.592 7.156 1.895 369 HB2 ALA 50 HB2 ALA 50 78.325 7.482 1.948 370 HB3 ALA 50 HB3 ALA 50 77.569 6.976 0.436 371 H GLU 51 HN GLU 51 79.027 10.450 1.846 372 HA GLU 51 HA GLU 51 80.053 11.257 -0.736 373 HB2 GLU 51 HB2 GLU 51 79.978 12.779 1.235 374 HB3 GLU 51 HB1 GLU 51 81.164 11.750 2.022 375 HG2 GLU 51 HG2 GLU 51 82.762 12.222 0.239 376 HG3 GLU 51 HG1 GLU 51 81.575 13.258 -0.543 377 H ASP 52 HN ASP 52 80.919 9.004 1.741 378 HA ASP 52 HA ASP 52 83.394 8.395 0.287 379 HB2 ASP 52 HB2 ASP 52 83.508 8.933 2.724 380 HB3 ASP 52 HB1 ASP 52 82.567 7.484 3.039 381 H SER 53 HN SER 53 83.874 6.282 -0.290 382 HA SER 53 HA SER 53 81.760 4.796 -1.336 383 HB2 SER 53 HB2 SER 53 84.025 4.907 -2.310 384 HB3 SER 53 HB1 SER 53 84.661 4.009 -0.939 385 HG SER 53 HG SER 53 82.644 2.991 -2.672 386 H GLU 54 HN GLU 54 83.772 4.272 1.648 387 HA GLU 54 HA GLU 54 82.688 1.728 2.164 388 HB2 GLU 54 HB2 GLU 54 84.296 3.739 3.660 389 HB3 GLU 54 HB1 GLU 54 83.755 2.249 4.395 390 HG2 GLU 54 HG2 GLU 54 84.976 0.960 2.749 391 HG3 GLU 54 HG1 GLU 54 85.442 2.441 1.914 392 H THR 55 HN THR 55 82.015 4.998 3.107 393 HA THR 55 HA THR 55 80.151 4.517 5.143 394 HB THR 55 HB THR 55 80.320 6.828 3.192 395 HG1 THR 55 HG1 THR 55 81.914 5.943 5.247 396 HG21 THR 55 HG21 THR 55 79.264 6.718 6.031 397 HG22 THR 55 HG22 THR 55 78.268 6.839 4.582 398 HG23 THR 55 HG23 THR 55 79.364 8.152 5.013 399 H LEU 56 HN LEU 56 79.930 4.620 1.657 400 HA LEU 56 HA LEU 56 77.113 4.537 1.388 401 HB2 LEU 56 HB2 LEU 56 78.676 5.213 -0.400 402 HB3 LEU 56 HB1 LEU 56 79.315 3.588 -0.443 403 HG LEU 56 HG LEU 56 77.055 2.807 -1.179 404 HD11 LEU 56 HD11 LEU 56 76.535 5.761 -1.468 405 HD12 LEU 56 HD12 LEU 56 75.715 4.652 -0.362 406 HD13 LEU 56 HD13 LEU 56 75.516 4.466 -2.103 407 HD21 LEU 56 HD21 LEU 56 77.348 3.584 -3.472 408 HD22 LEU 56 HD22 LEU 56 78.886 3.132 -2.739 409 HD23 LEU 56 HD23 LEU 56 78.454 4.834 -2.909 410 H ILE 57 HN ILE 57 79.658 2.062 1.243 411 HA ILE 57 HA ILE 57 78.102 -0.209 0.834 412 HB ILE 57 HB ILE 57 80.682 -0.005 2.421 413 HG12 ILE 57 HG12 ILE 57 80.269 -0.647 -0.505 414 HG13 ILE 57 HG11 ILE 57 80.794 0.914 0.118 415 HG21 ILE 57 HG21 ILE 57 79.401 -2.410 1.106 416 HG22 ILE 57 HG22 ILE 57 79.588 -2.144 2.839 417 HG23 ILE 57 HG23 ILE 57 81.013 -2.377 1.820 418 HD11 ILE 57 HD11 ILE 57 82.803 -0.154 1.033 419 HD12 ILE 57 HD12 ILE 57 82.678 -0.335 -0.712 420 HD13 ILE 57 HD13 ILE 57 82.275 -1.690 0.346 421 H GLN 58 HN GLN 58 79.148 1.268 3.928 422 HA GLN 58 HA GLN 58 78.147 -0.543 5.698 423 HB2 GLN 58 HB2 GLN 58 79.685 1.181 6.308 424 HB3 GLN 58 HB1 GLN 58 78.576 2.436 5.786 425 HG2 GLN 58 HG2 GLN 58 78.596 2.362 8.135 426 HG3 GLN 58 HG1 GLN 58 77.056 1.768 7.475 427 HE21 GLN 58 HE21 GLN 58 76.600 0.685 9.448 428 HE22 GLN 58 HE22 GLN 58 77.362 -0.791 9.860 429 H THR 59 HN THR 59 76.595 2.301 4.243 430 HA THR 59 HA THR 59 74.235 1.990 5.769 431 HB THR 59 HB THR 59 74.620 3.634 3.244 432 HG1 THR 59 HG1 THR 59 76.178 4.402 4.590 433 HG21 THR 59 HG21 THR 59 72.790 3.964 5.636 434 HG22 THR 59 HG22 THR 59 72.282 3.411 4.042 435 HG23 THR 59 HG23 THR 59 72.885 5.058 4.254 436 H ILE 60 HN ILE 60 75.227 0.959 2.535 437 HA ILE 60 HA ILE 60 72.689 0.101 1.649 438 HB ILE 60 HB ILE 60 75.445 -0.866 0.806 439 HG12 ILE 60 HG12 ILE 60 73.520 1.075 -0.502 440 HG13 ILE 60 HG11 ILE 60 74.983 1.521 0.352 441 HG21 ILE 60 HG21 ILE 60 74.357 -1.813 -1.198 442 HG22 ILE 60 HG22 ILE 60 72.783 -1.383 -0.531 443 HG23 ILE 60 HG23 ILE 60 73.780 -2.585 0.284 444 HD11 ILE 60 HD11 ILE 60 74.849 -0.087 -2.187 445 HD12 ILE 60 HD12 ILE 60 76.325 0.365 -1.333 446 HD13 ILE 60 HD13 ILE 60 75.299 1.612 -2.044 447 H GLU 61 HN GLU 61 75.313 -1.705 3.257 448 HA GLU 61 HA GLU 61 73.927 -4.153 3.345 449 HB2 GLU 61 HB2 GLU 61 76.152 -3.082 5.073 450 HB3 GLU 61 HB1 GLU 61 75.502 -4.703 5.265 451 HG2 GLU 61 HG2 GLU 61 76.723 -3.640 2.727 452 HG3 GLU 61 HG1 GLU 61 77.568 -4.621 3.924 453 H SER 62 HN SER 62 73.846 -1.380 5.461 454 HA SER 62 HA SER 62 72.462 -2.423 7.630 455 HB2 SER 62 HB2 SER 62 72.468 0.236 6.311 456 HB3 SER 62 HB1 SER 62 71.673 -0.057 7.844 457 HG SER 62 HG SER 62 74.443 -0.157 7.171 458 H VAL 63 HN VAL 63 71.310 -0.977 4.637 459 HA VAL 63 HA VAL 63 68.567 -1.111 5.066 460 HB VAL 63 HB VAL 63 70.339 -1.133 2.681 461 HG11 VAL 63 HG11 VAL 63 68.232 -2.246 1.961 462 HG12 VAL 63 HG12 VAL 63 68.312 -0.639 1.247 463 HG13 VAL 63 HG13 VAL 63 67.287 -0.931 2.651 464 HG21 VAL 63 HG21 VAL 63 70.305 0.903 3.921 465 HG22 VAL 63 HG22 VAL 63 68.547 0.971 3.856 466 HG23 VAL 63 HG23 VAL 63 69.492 1.172 2.379 467 H ARG 64 HN ARG 64 70.858 -3.473 3.877 468 HA ARG 64 HA ARG 64 68.901 -5.433 3.124 469 HB2 ARG 64 HB2 ARG 64 71.871 -5.783 3.600 470 HB3 ARG 64 HB1 ARG 64 70.828 -6.917 2.752 471 HG2 ARG 64 HG2 ARG 64 70.418 -5.244 1.018 472 HG3 ARG 64 HG1 ARG 64 71.450 -4.099 1.865 473 HD2 ARG 64 HD2 ARG 64 72.746 -5.026 0.129 474 HD3 ARG 64 HD1 ARG 64 73.310 -5.779 1.617 475 HE ARG 64 HE ARG 64 71.295 -7.292 0.228 476 HH11 ARG 64 HH11 ARG 64 74.781 -6.753 0.664 477 HH12 ARG 64 HH12 ARG 64 75.262 -8.121 -0.224 478 HH21 ARG 64 HH21 ARG 64 71.941 -9.205 -0.987 479 HH22 ARG 64 HH22 ARG 64 73.591 -9.582 -1.162 480 H ASN 65 HN ASN 65 70.208 -4.442 6.090 481 HA ASN 65 HA ASN 65 69.901 -7.003 7.419 482 HB2 ASN 65 HB2 ASN 65 70.923 -4.323 8.271 483 HB3 ASN 65 HB1 ASN 65 70.416 -5.478 9.491 484 HD21 ASN 65 HD21 ASN 65 71.925 -6.395 6.480 485 HD22 ASN 65 HD22 ASN 65 73.415 -6.925 7.180 486 H VAL 66 HN VAL 66 67.828 -4.663 6.471 487 HA VAL 66 HA VAL 66 66.257 -4.530 8.863 488 HB VAL 66 HB VAL 66 65.509 -3.682 6.049 489 HG11 VAL 66 HG11 VAL 66 63.517 -4.096 7.423 490 HG12 VAL 66 HG12 VAL 66 63.734 -2.362 7.156 491 HG13 VAL 66 HG13 VAL 66 64.183 -3.080 8.698 492 HG21 VAL 66 HG21 VAL 66 66.508 -2.093 8.404 493 HG22 VAL 66 HG22 VAL 66 65.925 -1.413 6.888 494 HG23 VAL 66 HG23 VAL 66 67.384 -2.409 6.900 495 H GLU 67 HN GLU 67 64.837 -5.659 9.549 496 HA GLU 67 HA GLU 67 64.330 -8.206 9.430 497 HB2 GLU 67 HB2 GLU 67 62.062 -6.310 9.724 498 HB3 GLU 67 HB1 GLU 67 62.370 -7.826 10.573 499 HG2 GLU 67 HG2 GLU 67 63.921 -5.320 10.799 500 HG3 GLU 67 HG1 GLU 67 62.688 -5.811 11.960 501 H GLY 68 HN GLY 68 62.046 -6.018 7.836 502 HA2 GLY 68 HA2 GLY 68 60.839 -8.287 6.522 503 HA3 GLY 68 HA1 GLY 68 60.249 -6.635 6.488 504 H VAL 69 HN VAL 69 63.508 -6.754 5.777 505 HA VAL 69 HA VAL 69 62.882 -6.347 2.970 506 HB VAL 69 HB VAL 69 65.558 -6.022 4.406 507 HG11 VAL 69 HG11 VAL 69 66.354 -5.047 2.327 508 HG12 VAL 69 HG12 VAL 69 64.872 -5.596 1.528 509 HG13 VAL 69 HG13 VAL 69 66.002 -6.765 2.190 510 HG21 VAL 69 HG21 VAL 69 63.873 -4.310 4.896 511 HG22 VAL 69 HG22 VAL 69 63.672 -4.039 3.169 512 HG23 VAL 69 HG23 VAL 69 65.210 -3.663 3.941 513 H LEU 70 HN LEU 70 63.255 -7.682 1.370 514 HA LEU 70 HA LEU 70 64.059 -10.402 2.095 515 HB2 LEU 70 HB2 LEU 70 62.490 -9.337 -0.250 516 HB3 LEU 70 HB1 LEU 70 62.773 -11.026 0.111 517 HG LEU 70 HG LEU 70 61.240 -9.185 1.938 518 HD11 LEU 70 HD11 LEU 70 59.230 -10.242 1.050 519 HD12 LEU 70 HD12 LEU 70 60.210 -11.098 -0.152 520 HD13 LEU 70 HD13 LEU 70 60.096 -9.341 -0.194 521 HD21 LEU 70 HD21 LEU 70 62.160 -11.138 3.026 522 HD22 LEU 70 HD22 LEU 70 61.471 -12.184 1.780 523 HD23 LEU 70 HD23 LEU 70 60.411 -11.289 2.865 524 H ALA 71 HN ALA 71 64.164 -8.172 -0.672 525 HA ALA 71 HA ALA 71 66.855 -9.124 -1.290 526 HB1 ALA 71 HB1 ALA 71 65.300 -10.412 -2.673 527 HB2 ALA 71 HB2 ALA 71 66.263 -9.310 -3.659 528 HB3 ALA 71 HB3 ALA 71 64.592 -8.920 -3.285 529 H VAL 72 HN VAL 72 68.135 -7.446 -1.541 530 HA VAL 72 HA VAL 72 66.977 -4.881 -2.367 531 HB VAL 72 HB VAL 72 69.613 -5.414 -0.958 532 HG11 VAL 72 HG11 VAL 72 68.291 -2.807 -1.703 533 HG12 VAL 72 HG12 VAL 72 69.758 -3.467 -2.425 534 HG13 VAL 72 HG13 VAL 72 69.755 -2.960 -0.730 535 HG21 VAL 72 HG21 VAL 72 67.056 -4.180 0.058 536 HG22 VAL 72 HG22 VAL 72 68.562 -4.233 0.950 537 HG23 VAL 72 HG23 VAL 72 67.731 -5.731 0.550 538 H SER 73 HN SER 73 67.231 -4.524 -4.429 539 HA SER 73 HA SER 73 69.418 -5.709 -5.933 540 HB2 SER 73 HB2 SER 73 66.929 -5.599 -6.694 541 HB3 SER 73 HB1 SER 73 67.253 -3.872 -6.881 542 HG SER 73 HG SER 73 69.091 -5.444 -8.131 543 H LEU 74 HN LEU 74 71.263 -4.567 -5.996 544 HA LEU 74 HA LEU 74 71.308 -1.728 -5.352 545 HB2 LEU 74 HB2 LEU 74 72.959 -3.664 -4.589 546 HB3 LEU 74 HB1 LEU 74 73.704 -3.371 -6.138 547 HG LEU 74 HG LEU 74 73.472 -1.406 -3.858 548 HD11 LEU 74 HD11 LEU 74 75.898 -1.603 -3.745 549 HD12 LEU 74 HD12 LEU 74 75.847 -2.851 -4.983 550 HD13 LEU 74 HD13 LEU 74 75.076 -3.131 -3.420 551 HD21 LEU 74 HD21 LEU 74 73.386 -0.208 -5.998 552 HD22 LEU 74 HD22 LEU 74 74.846 -1.044 -6.527 553 HD23 LEU 74 HD23 LEU 74 74.921 0.082 -5.173 554 H VAL 75 HN VAL 75 71.170 -0.259 -6.965 555 HA VAL 75 HA VAL 75 70.743 -0.914 -9.616 556 HB VAL 75 HB VAL 75 70.081 1.214 -8.397 557 HG11 VAL 75 HG11 VAL 75 72.842 2.103 -9.162 558 HG12 VAL 75 HG12 VAL 75 72.195 1.928 -7.533 559 HG13 VAL 75 HG13 VAL 75 71.551 3.169 -8.612 560 HG21 VAL 75 HG21 VAL 75 70.080 2.599 -10.447 561 HG22 VAL 75 HG22 VAL 75 69.603 0.935 -10.760 562 HG23 VAL 75 HG23 VAL 75 71.229 1.477 -11.179 563 H TYR 76 HN TYR 76 73.774 -0.335 -8.120 564 HA TYR 76 HA TYR 76 75.088 -0.532 -10.735 565 HB2 TYR 76 HB2 TYR 76 74.997 1.855 -10.040 566 HB3 TYR 76 HB1 TYR 76 75.860 1.442 -8.574 567 HD1 TYR 76 HD2 TYR 76 78.274 0.967 -8.649 568 HD2 TYR 76 HD1 TYR 76 76.133 1.997 -12.183 569 HE1 TYR 76 HE2 TYR 76 80.399 1.439 -9.789 570 HE2 TYR 76 HE1 TYR 76 78.259 2.470 -13.333 571 HH TYR 76 HH TYR 76 80.616 3.170 -12.558 572 H HIS 77 HN HIS 77 75.680 -2.634 -10.357 573 HA HIS 77 HA HIS 77 78.060 -2.967 -8.817 574 HB2 HIS 77 HB2 HIS 77 76.359 -3.525 -7.093 575 HB3 HIS 77 HB1 HIS 77 75.593 -4.648 -8.212 576 HD1 HIS 77 HD1 HIS 77 78.631 -4.336 -5.963 577 HD2 HIS 77 HD2 HIS 77 76.804 -7.140 -8.428 578 HE1 HIS 77 HE1 HIS 77 79.766 -6.534 -5.497 579 H GLN 78 HN GLN 78 79.320 -4.491 -9.809 580 HA GLN 78 HA GLN 78 78.012 -6.111 -11.805 581 HB2 GLN 78 HB2 GLN 78 79.958 -5.670 -13.368 582 HB3 GLN 78 HB1 GLN 78 78.873 -4.311 -13.124 583 HG2 GLN 78 HG2 GLN 78 80.460 -3.388 -11.504 584 HG3 GLN 78 HG1 GLN 78 81.567 -4.708 -11.844 585 HE21 GLN 78 HE21 GLN 78 81.975 -1.895 -12.126 586 HE22 GLN 78 HE22 GLN 78 82.379 -1.626 -13.779 587 H GLN 79 HN GLN 79 79.172 -8.023 -12.343 588 HA GLN 79 HA GLN 79 80.241 -9.147 -9.949 589 HB2 GLN 79 HB2 GLN 79 79.551 -10.317 -12.627 590 HB3 GLN 79 HB1 GLN 79 80.449 -11.257 -11.451 591 HG2 GLN 79 HG2 GLN 79 78.069 -11.782 -11.391 592 HG3 GLN 79 HG1 GLN 79 78.608 -11.085 -9.871 593 HE21 GLN 79 HE21 GLN 79 77.803 -9.090 -9.254 594 HE22 GLN 79 HE22 GLN 79 76.470 -8.348 -10.039 595 H GLU 80 HN GLU 80 82.055 -7.871 -9.785 596 HA GLU 80 HA GLU 80 84.321 -8.594 -11.523 597 HB2 GLU 80 HB2 GLU 80 84.237 -6.531 -9.312 598 HB3 GLU 80 HB1 GLU 80 85.490 -6.723 -10.531 599 HG2 GLU 80 HG2 GLU 80 83.910 -6.127 -12.271 600 HG3 GLU 80 HG1 GLU 80 82.653 -5.996 -11.042 601 H GLU 81 HN GLU 81 83.607 -8.208 -8.070 602 HA GLU 81 HA GLU 81 85.923 -9.685 -7.279 603 HB2 GLU 81 HB2 GLU 81 83.587 -8.719 -5.664 604 HB3 GLU 81 HB1 GLU 81 85.102 -9.335 -5.014 605 HG2 GLU 81 HG2 GLU 81 86.290 -7.491 -6.129 606 HG3 GLU 81 HG1 GLU 81 84.737 -6.849 -6.664 607 H GLN 82 HN GLN 82 82.817 -10.569 -8.205 608 HA GLN 82 HA GLN 82 83.386 -13.281 -7.566 609 HB2 GLN 82 HB2 GLN 82 81.151 -13.742 -6.509 610 HB3 GLN 82 HB1 GLN 82 82.204 -12.752 -5.523 611 HG2 GLN 82 HG2 GLN 82 80.922 -10.768 -6.071 612 HG3 GLN 82 HG1 GLN 82 79.951 -11.683 -7.222 613 HE21 GLN 82 HE21 GLN 82 78.424 -13.115 -6.456 614 HE22 GLN 82 HE22 GLN 82 77.854 -13.088 -4.825 615 H GLY 83 HN GLY 83 83.494 -13.726 -9.645 616 HA2 GLY 83 HA2 GLY 83 80.994 -14.071 -11.048 617 HA3 GLY 83 HA1 GLY 83 82.079 -12.897 -11.786 618 H GLU 84 HN GLU 84 84.459 -13.813 -11.748 619 HA GLU 84 HA GLU 84 84.272 -16.231 -13.330 620 HB2 GLU 84 HB2 GLU 84 86.571 -14.317 -12.914 621 HB3 GLU 84 HB1 GLU 84 86.584 -15.682 -14.020 622 HG2 GLU 84 HG2 GLU 84 84.705 -14.657 -15.254 623 HG3 GLU 84 HG1 GLU 84 84.795 -13.262 -14.184 624 H GLU 85 HN GLU 85 84.187 -16.026 -10.375 625 HA GLU 85 HA GLU 85 86.410 -16.903 -8.994 626 HB2 GLU 85 HB2 GLU 85 83.514 -17.584 -8.528 627 HB3 GLU 85 HB1 GLU 85 84.815 -17.858 -7.377 628 HG2 GLU 85 HG2 GLU 85 83.938 -15.196 -8.443 629 HG3 GLU 85 HG1 GLU 85 83.553 -15.849 -6.850 630 H THR 86 HN THR 86 87.598 -18.619 -9.333 631 HA THR 86 HA THR 86 86.321 -21.043 -10.334 632 HB THR 86 HB THR 86 89.259 -20.302 -10.231 633 HG1 THR 86 HG1 THR 86 87.756 -19.075 -11.667 634 HG21 THR 86 HG21 THR 86 89.546 -22.186 -11.778 635 HG22 THR 86 HG22 THR 86 87.818 -22.530 -11.704 636 HG23 THR 86 HG23 THR 86 88.822 -22.740 -10.267 637 HA PRO 87 HA PRO 87 87.220 -22.219 -6.036 638 HB2 PRO 87 HB2 PRO 87 85.020 -23.724 -5.612 639 HB3 PRO 87 HB1 PRO 87 85.001 -21.960 -5.513 640 HG2 PRO 87 HG2 PRO 87 83.914 -23.735 -7.625 641 HG3 PRO 87 HG1 PRO 87 83.397 -22.115 -7.140 642 HD2 PRO 87 HD2 PRO 87 85.022 -22.811 -9.364 643 HD3 PRO 87 HD1 PRO 87 84.656 -21.180 -8.775 644 H ARG 88 HN ARG 88 86.496 -24.168 -8.793 645 HA ARG 88 HA ARG 88 87.419 -26.576 -7.433 646 HB2 ARG 88 HB2 ARG 88 86.110 -26.288 -10.137 647 HB3 ARG 88 HB1 ARG 88 86.484 -27.804 -9.328 648 HG2 ARG 88 HG2 ARG 88 84.933 -27.177 -7.505 649 HG3 ARG 88 HG1 ARG 88 84.535 -25.707 -8.394 650 HD2 ARG 88 HD2 ARG 88 83.768 -27.120 -10.278 651 HD3 ARG 88 HD1 ARG 88 84.091 -28.536 -9.273 652 HE ARG 88 HE ARG 88 82.353 -26.622 -8.052 653 HH11 ARG 88 HH11 ARG 88 82.487 -29.463 -10.165 654 HH12 ARG 88 HH12 ARG 88 80.866 -29.902 -9.927 655 HH21 ARG 88 HH21 ARG 88 80.111 -27.204 -7.731 656 HH22 ARG 88 HH22 ARG 88 79.478 -28.585 -8.506 657 H SER 89 HN SER 89 89.546 -26.642 -7.458 658 HA SER 89 HA SER 89 90.939 -25.899 -9.907 659 HB2 SER 89 HB2 SER 89 91.995 -26.222 -7.092 660 HB3 SER 89 HB1 SER 89 92.948 -25.719 -8.490 661 HG SER 89 HG SER 89 91.358 -24.023 -8.738 662 H HIS 90 HN HIS 90 91.006 -27.556 -11.159 663 HA HIS 90 HA HIS 90 91.406 -30.262 -10.187 664 HB2 HIS 90 HB2 HIS 90 91.031 -29.161 -12.986 665 HB3 HIS 90 HB1 HIS 90 91.244 -30.862 -12.621 666 HD1 HIS 90 HD1 HIS 90 89.090 -32.107 -12.492 667 HD2 HIS 90 HD2 HIS 90 88.617 -28.090 -11.537 668 HE1 HIS 90 HE1 HIS 90 86.623 -31.757 -12.163 669 H HIS 91 HN HIS 91 93.137 -31.594 -11.019 670 HA HIS 91 HA HIS 91 95.548 -30.007 -11.405 671 HB2 HIS 91 HB2 HIS 91 95.532 -31.684 -9.536 672 HB3 HIS 91 HB1 HIS 91 95.314 -32.961 -10.724 673 HD1 HIS 91 HD1 HIS 91 97.443 -33.959 -11.664 674 HD2 HIS 91 HD2 HIS 91 98.081 -30.327 -9.758 675 HE1 HIS 91 HE1 HIS 91 99.948 -33.651 -11.559 676 H HIS 92 HN HIS 92 95.120 -29.506 -13.508 677 HA HIS 92 HA HIS 92 95.625 -31.669 -15.420 678 HB2 HIS 92 HB2 HIS 92 93.136 -31.077 -15.227 679 HB3 HIS 92 HB1 HIS 92 93.553 -29.494 -15.872 680 HD1 HIS 92 HD1 HIS 92 93.260 -29.349 -18.385 681 HD2 HIS 92 HD2 HIS 92 93.997 -33.224 -17.079 682 HE1 HIS 92 HE1 HIS 92 93.109 -30.820 -20.428 683 H HIS 93 HN HIS 93 97.345 -29.707 -14.237 684 HA HIS 93 HA HIS 93 98.440 -28.525 -16.556 685 HB2 HIS 93 HB2 HIS 93 98.400 -26.173 -15.838 686 HB3 HIS 93 HB1 HIS 93 96.776 -26.776 -16.104 687 HD1 HIS 93 HD1 HIS 93 98.468 -24.626 -13.839 688 HD2 HIS 93 HD2 HIS 93 95.733 -27.725 -13.349 689 HE1 HIS 93 HE1 HIS 93 97.352 -24.222 -11.653 690 H HIS 94 HN HIS 94 100.502 -27.898 -16.286 691 HA HIS 94 HA HIS 94 101.836 -28.783 -13.837 692 HB2 HIS 94 HB2 HIS 94 102.943 -27.984 -16.553 693 HB3 HIS 94 HB1 HIS 94 103.921 -28.537 -15.200 694 HD1 HIS 94 HD1 HIS 94 104.437 -30.995 -15.250 695 HD2 HIS 94 HD2 HIS 94 101.000 -30.048 -17.386 696 HE1 HIS 94 HE1 HIS 94 103.639 -33.152 -16.299 697 H HIS 95 HN HIS 95 101.343 -26.022 -15.897 698 HA HIS 95 HA HIS 95 102.353 -24.311 -13.761 699 HB2 HIS 95 HB2 HIS 95 102.339 -23.846 -16.765 700 HB3 HIS 95 HB1 HIS 95 102.672 -22.578 -15.595 701 HD1 HIS 95 HD1 HIS 95 105.070 -22.431 -14.754 702 HD2 HIS 95 HD2 HIS 95 104.316 -25.871 -16.947 703 HE1 HIS 95 HE1 HIS 95 107.307 -23.488 -15.173 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 89.464 11.339 -1.708 2 H2 MET 1 HT2 MET 1 88.543 9.957 -1.737 3 H3 MET 1 HT3 MET 1 89.411 10.305 -0.334 4 HA MET 1 HA MET 1 87.129 10.786 -0.003 5 HB2 MET 1 HB2 MET 1 88.634 13.350 -0.568 6 HB3 MET 1 HB1 MET 1 87.132 13.229 0.325 7 HG2 MET 1 HG2 MET 1 89.745 11.978 1.149 8 HG3 MET 1 HG1 MET 1 89.076 13.478 1.793 9 HE1 MET 1 HE1 MET 1 89.265 12.611 4.247 10 HE2 MET 1 HE2 MET 1 89.982 11.109 3.674 11 HE3 MET 1 HE3 MET 1 88.626 11.063 4.803 12 H HIS 2 HN HIS 2 85.214 11.038 -0.980 13 HA HIS 2 HA HIS 2 85.191 11.728 -3.788 14 HB2 HIS 2 HB2 HIS 2 83.198 10.486 -1.948 15 HB3 HIS 2 HB1 HIS 2 82.631 11.319 -3.385 16 HD1 HIS 2 HD1 HIS 2 82.569 9.986 -5.463 17 HD2 HIS 2 HD2 HIS 2 84.930 8.227 -2.540 18 HE1 HIS 2 HE1 HIS 2 83.159 7.692 -6.335 19 H THR 3 HN THR 3 85.423 13.948 -3.995 20 HA THR 3 HA THR 3 83.691 15.711 -2.608 21 HB THR 3 HB THR 3 84.442 17.211 -4.657 22 HG1 THR 3 HG1 THR 3 86.652 16.164 -5.184 23 HG21 THR 3 HG21 THR 3 86.431 16.161 -2.622 24 HG22 THR 3 HG22 THR 3 85.277 17.462 -2.344 25 HG23 THR 3 HG23 THR 3 86.575 17.674 -3.516 26 H ASN 4 HN ASN 4 83.664 13.876 -5.532 27 HA ASN 4 HA ASN 4 80.894 14.634 -6.064 28 HB2 ASN 4 HB2 ASN 4 82.362 14.493 -8.063 29 HB3 ASN 4 HB1 ASN 4 82.804 12.853 -7.612 30 HD21 ASN 4 HD21 ASN 4 79.503 14.205 -7.492 31 HD22 ASN 4 HD22 ASN 4 78.895 13.134 -8.693 32 H TRP 5 HN TRP 5 80.158 13.724 -4.165 33 HA TRP 5 HA TRP 5 80.592 11.079 -3.379 34 HB2 TRP 5 HB2 TRP 5 78.623 11.360 -1.888 35 HB3 TRP 5 HB1 TRP 5 79.821 12.630 -1.745 36 HD1 TRP 5 HD1 TRP 5 78.451 14.201 -4.438 37 HE1 TRP 5 HE1 TRP 5 76.407 15.647 -3.917 38 HE3 TRP 5 HE3 TRP 5 77.074 12.131 0.053 39 HZ2 TRP 5 HZ2 TRP 5 74.502 15.921 -1.896 40 HZ3 TRP 5 HZ3 TRP 5 75.132 13.073 1.200 41 HH2 TRP 5 HH2 TRP 5 73.876 14.926 0.246 42 H GLN 6 HN GLN 6 79.528 9.275 -3.484 43 HA GLN 6 HA GLN 6 78.180 8.947 -6.007 44 HB2 GLN 6 HB2 GLN 6 78.571 6.472 -5.493 45 HB3 GLN 6 HB1 GLN 6 79.963 7.465 -5.888 46 HG2 GLN 6 HG2 GLN 6 80.565 7.598 -3.552 47 HG3 GLN 6 HG1 GLN 6 79.120 6.704 -3.087 48 HE21 GLN 6 HE21 GLN 6 80.346 5.075 -2.123 49 HE22 GLN 6 HE22 GLN 6 81.239 3.916 -3.039 50 H VAL 7 HN VAL 7 76.211 8.274 -6.290 51 HA VAL 7 HA VAL 7 74.509 7.884 -3.930 52 HB VAL 7 HB VAL 7 72.666 8.758 -5.238 53 HG11 VAL 7 HG11 VAL 7 74.064 10.427 -4.146 54 HG12 VAL 7 HG12 VAL 7 73.354 11.059 -5.637 55 HG13 VAL 7 HG13 VAL 7 75.041 10.565 -5.605 56 HG21 VAL 7 HG21 VAL 7 73.253 7.862 -7.442 57 HG22 VAL 7 HG22 VAL 7 74.581 9.015 -7.569 58 HG23 VAL 7 HG23 VAL 7 72.913 9.590 -7.542 59 H CYS 8 HN CYS 8 73.046 6.205 -4.007 60 HA CYS 8 HA CYS 8 73.071 4.469 -6.324 61 HB2 CYS 8 HB2 CYS 8 73.265 2.460 -4.822 62 HB3 CYS 8 HB1 CYS 8 74.720 3.440 -4.881 63 HG CYS 8 HG CYS 8 73.529 4.789 -2.438 64 H SER 9 HN SER 9 71.133 3.569 -6.691 65 HA SER 9 HA SER 9 68.979 4.340 -4.891 66 HB2 SER 9 HB2 SER 9 68.663 5.092 -7.164 67 HB3 SER 9 HB1 SER 9 68.978 3.487 -7.821 68 HG SER 9 HG SER 9 66.861 3.695 -7.811 69 H LEU 10 HN LEU 10 67.878 2.804 -3.897 70 HA LEU 10 HA LEU 10 68.679 0.033 -4.432 71 HB2 LEU 10 HB2 LEU 10 67.792 1.327 -1.899 72 HB3 LEU 10 HB1 LEU 10 68.111 -0.373 -2.048 73 HG LEU 10 HG LEU 10 70.119 1.868 -2.297 74 HD11 LEU 10 HD11 LEU 10 71.086 0.890 -0.261 75 HD12 LEU 10 HD12 LEU 10 69.808 -0.322 -0.241 76 HD13 LEU 10 HD13 LEU 10 69.413 1.380 -0.000 77 HD21 LEU 10 HD21 LEU 10 70.529 -1.110 -2.561 78 HD22 LEU 10 HD22 LEU 10 71.817 0.089 -2.425 79 HD23 LEU 10 HD23 LEU 10 70.742 0.116 -3.820 80 H VAL 11 HN VAL 11 67.134 -1.120 -5.200 81 HA VAL 11 HA VAL 11 64.369 -0.275 -4.765 82 HB VAL 11 HB VAL 11 65.273 -2.680 -6.381 83 HG11 VAL 11 HG11 VAL 11 62.967 -2.757 -5.700 84 HG12 VAL 11 HG12 VAL 11 63.089 -2.536 -7.445 85 HG13 VAL 11 HG13 VAL 11 62.680 -1.167 -6.408 86 HG21 VAL 11 HG21 VAL 11 64.714 0.101 -7.411 87 HG22 VAL 11 HG22 VAL 11 64.989 -1.321 -8.417 88 HG23 VAL 11 HG23 VAL 11 66.286 -0.700 -7.395 89 H VAL 12 HN VAL 12 63.812 -0.829 -2.837 90 HA VAL 12 HA VAL 12 64.778 -3.286 -1.653 91 HB VAL 12 HB VAL 12 63.072 -1.081 -0.468 92 HG11 VAL 12 HG11 VAL 12 64.501 -3.376 0.874 93 HG12 VAL 12 HG12 VAL 12 62.759 -3.199 0.696 94 HG13 VAL 12 HG13 VAL 12 63.659 -2.067 1.699 95 HG21 VAL 12 HG21 VAL 12 65.280 -0.274 -1.083 96 HG22 VAL 12 HG22 VAL 12 66.032 -1.614 -0.218 97 HG23 VAL 12 HG23 VAL 12 65.141 -0.382 0.672 98 H GLN 13 HN GLN 13 63.721 -5.021 -2.110 99 HA GLN 13 HA GLN 13 60.838 -4.981 -2.534 100 HB2 GLN 13 HB2 GLN 13 62.940 -7.131 -2.916 101 HB3 GLN 13 HB1 GLN 13 61.233 -7.298 -3.327 102 HG2 GLN 13 HG2 GLN 13 61.357 -5.700 -5.002 103 HG3 GLN 13 HG1 GLN 13 62.946 -5.128 -4.481 104 HE21 GLN 13 HE21 GLN 13 62.014 -8.503 -4.865 105 HE22 GLN 13 HE22 GLN 13 63.031 -8.790 -6.227 106 H ALA 14 HN ALA 14 59.734 -5.188 -0.727 107 HA ALA 14 HA ALA 14 60.744 -6.944 1.387 108 HB1 ALA 14 HB1 ALA 14 61.455 -4.692 1.911 109 HB2 ALA 14 HB2 ALA 14 60.188 -5.229 3.026 110 HB3 ALA 14 HB3 ALA 14 59.800 -4.111 1.720 111 H LYS 15 HN LYS 15 59.049 -7.157 3.110 112 HA LYS 15 HA LYS 15 56.623 -8.189 2.163 113 HB2 LYS 15 HB2 LYS 15 57.536 -7.344 4.889 114 HB3 LYS 15 HB1 LYS 15 55.859 -7.767 4.651 115 HG2 LYS 15 HG2 LYS 15 57.128 -9.635 5.578 116 HG3 LYS 15 HG1 LYS 15 56.537 -10.030 3.973 117 HD2 LYS 15 HD2 LYS 15 58.681 -9.775 3.043 118 HD3 LYS 15 HD1 LYS 15 59.297 -8.998 4.503 119 HE2 LYS 15 HE2 LYS 15 60.041 -11.335 4.350 120 HE3 LYS 15 HE1 LYS 15 59.025 -11.021 5.754 121 HZ1 LYS 15 HZ1 LYS 15 58.529 -13.110 4.574 122 HZ2 LYS 15 HZ2 LYS 15 57.972 -12.233 3.253 123 HZ3 LYS 15 HZ3 LYS 15 57.210 -12.108 4.759 124 H SER 16 HN SER 16 54.926 -7.225 1.402 125 HA SER 16 HA SER 16 54.578 -4.478 1.148 126 HB2 SER 16 HB2 SER 16 53.616 -5.996 -0.407 127 HB3 SER 16 HB1 SER 16 52.641 -6.784 0.843 128 HG SER 16 HG SER 16 52.351 -4.325 -0.442 129 H GLU 17 HN GLU 17 53.346 -6.759 3.484 130 HA GLU 17 HA GLU 17 51.482 -5.028 4.745 131 HB2 GLU 17 HB2 GLU 17 51.424 -6.791 6.483 132 HB3 GLU 17 HB1 GLU 17 51.212 -7.415 4.852 133 HG2 GLU 17 HG2 GLU 17 53.590 -8.072 4.821 134 HG3 GLU 17 HG1 GLU 17 53.744 -7.515 6.479 135 H ARG 18 HN ARG 18 54.911 -5.297 4.976 136 HA ARG 18 HA ARG 18 54.926 -4.087 7.674 137 HB2 ARG 18 HB2 ARG 18 55.943 -6.429 7.198 138 HB3 ARG 18 HB1 ARG 18 57.191 -5.531 6.346 139 HG2 ARG 18 HG2 ARG 18 57.825 -4.406 8.336 140 HG3 ARG 18 HG1 ARG 18 56.475 -5.113 9.231 141 HD2 ARG 18 HD2 ARG 18 57.435 -7.369 8.751 142 HD3 ARG 18 HD1 ARG 18 58.849 -6.593 8.066 143 HE ARG 18 HE ARG 18 58.514 -5.480 10.566 144 HH11 ARG 18 HH11 ARG 18 59.260 -8.693 9.312 145 HH12 ARG 18 HH12 ARG 18 60.043 -9.222 10.725 146 HH21 ARG 18 HH21 ARG 18 59.587 -6.193 12.481 147 HH22 ARG 18 HH22 ARG 18 60.212 -7.772 12.574 148 H ILE 19 HN ILE 19 54.965 -3.156 4.644 149 HA ILE 19 HA ILE 19 57.303 -1.882 4.030 150 HB ILE 19 HB ILE 19 54.470 -1.240 3.254 151 HG12 ILE 19 HG12 ILE 19 55.531 -3.285 2.432 152 HG13 ILE 19 HG11 ILE 19 55.100 -2.238 1.100 153 HG21 ILE 19 HG21 ILE 19 55.314 0.291 1.506 154 HG22 ILE 19 HG22 ILE 19 56.914 0.199 2.263 155 HG23 ILE 19 HG23 ILE 19 55.564 0.898 3.148 156 HD11 ILE 19 HD11 ILE 19 57.254 -3.233 0.702 157 HD12 ILE 19 HD12 ILE 19 57.854 -2.710 2.268 158 HD13 ILE 19 HD13 ILE 19 57.498 -1.518 1.016 159 H SER 20 HN SER 20 54.654 -0.390 5.939 160 HA SER 20 HA SER 20 55.767 2.167 5.991 161 HB2 SER 20 HB2 SER 20 53.983 0.879 8.056 162 HB3 SER 20 HB1 SER 20 54.179 2.605 7.755 163 HG SER 20 HG SER 20 53.210 2.426 5.849 164 H ASP 21 HN ASP 21 56.409 -0.638 8.007 165 HA ASP 21 HA ASP 21 57.830 0.923 9.973 166 HB2 ASP 21 HB2 ASP 21 56.653 -1.155 10.597 167 HB3 ASP 21 HB1 ASP 21 57.782 -2.087 9.614 168 H ILE 22 HN ILE 22 58.540 -1.067 7.256 169 HA ILE 22 HA ILE 22 61.340 -1.198 7.561 170 HB ILE 22 HB ILE 22 59.564 -1.605 5.145 171 HG12 ILE 22 HG12 ILE 22 60.909 -3.570 7.007 172 HG13 ILE 22 HG11 ILE 22 59.204 -3.135 7.037 173 HG21 ILE 22 HG21 ILE 22 61.819 -1.053 4.385 174 HG22 ILE 22 HG22 ILE 22 61.460 -2.754 4.093 175 HG23 ILE 22 HG23 ILE 22 62.496 -2.297 5.436 176 HD11 ILE 22 HD11 ILE 22 60.677 -4.553 4.854 177 HD12 ILE 22 HD12 ILE 22 58.990 -4.050 4.756 178 HD13 ILE 22 HD13 ILE 22 59.484 -5.249 5.951 179 H SER 23 HN SER 23 59.241 0.930 5.575 180 HA SER 23 HA SER 23 61.260 2.295 4.256 181 HB2 SER 23 HB2 SER 23 59.475 4.057 3.968 182 HB3 SER 23 HB1 SER 23 59.009 2.427 3.477 183 HG SER 23 HG SER 23 57.751 3.964 5.104 184 H THR 24 HN THR 24 59.676 2.974 7.295 185 HA THR 24 HA THR 24 60.914 5.426 7.839 186 HB THR 24 HB THR 24 59.836 3.387 9.796 187 HG1 THR 24 HG1 THR 24 58.081 3.779 8.696 188 HG21 THR 24 HG21 THR 24 61.100 5.254 10.852 189 HG22 THR 24 HG22 THR 24 59.377 5.343 11.215 190 HG23 THR 24 HG23 THR 24 60.078 6.409 9.996 191 H GLN 25 HN GLN 25 61.868 2.046 8.747 192 HA GLN 25 HA GLN 25 64.053 2.705 10.242 193 HB2 GLN 25 HB2 GLN 25 62.781 0.500 9.874 194 HB3 GLN 25 HB1 GLN 25 63.839 0.299 8.484 195 HG2 GLN 25 HG2 GLN 25 65.782 0.523 9.954 196 HG3 GLN 25 HG1 GLN 25 64.574 0.759 11.244 197 HE21 GLN 25 HE21 GLN 25 62.742 -1.204 10.475 198 HE22 GLN 25 HE22 GLN 25 63.418 -2.751 10.729 199 H LEU 26 HN LEU 26 63.693 2.099 6.703 200 HA LEU 26 HA LEU 26 66.371 2.253 6.035 201 HB2 LEU 26 HB2 LEU 26 63.960 3.012 4.342 202 HB3 LEU 26 HB1 LEU 26 65.567 2.610 3.820 203 HG LEU 26 HG LEU 26 63.756 0.666 5.216 204 HD11 LEU 26 HD11 LEU 26 62.877 1.317 3.012 205 HD12 LEU 26 HD12 LEU 26 63.412 -0.355 3.073 206 HD13 LEU 26 HD13 LEU 26 64.423 0.853 2.290 207 HD21 LEU 26 HD21 LEU 26 66.366 0.326 3.771 208 HD22 LEU 26 HD22 LEU 26 65.381 -0.988 4.419 209 HD23 LEU 26 HD23 LEU 26 66.118 0.194 5.508 210 H ASN 27 HN ASN 27 63.819 4.685 6.202 211 HA ASN 27 HA ASN 27 65.137 6.935 5.260 212 HB2 ASN 27 HB2 ASN 27 62.720 6.688 5.601 213 HB3 ASN 27 HB1 ASN 27 62.960 6.642 7.337 214 HD21 ASN 27 HD21 ASN 27 62.731 8.573 4.545 215 HD22 ASN 27 HD22 ASN 27 62.790 10.091 5.330 216 H ALA 28 HN ALA 28 65.490 5.250 8.261 217 HA ALA 28 HA ALA 28 66.382 7.534 9.752 218 HB1 ALA 28 HB1 ALA 28 66.307 4.624 10.503 219 HB2 ALA 28 HB2 ALA 28 65.051 5.817 10.842 220 HB3 ALA 28 HB3 ALA 28 66.643 5.961 11.600 221 H PHE 29 HN PHE 29 67.998 5.353 7.579 222 HA PHE 29 HA PHE 29 70.387 5.327 9.064 223 HB2 PHE 29 HB2 PHE 29 69.691 4.438 6.277 224 HB3 PHE 29 HB1 PHE 29 71.249 4.234 7.058 225 HD1 PHE 29 HD2 PHE 29 70.857 3.173 9.571 226 HD2 PHE 29 HD1 PHE 29 68.456 2.601 6.142 227 HE1 PHE 29 HE2 PHE 29 70.034 1.055 10.527 228 HE2 PHE 29 HE1 PHE 29 67.605 0.470 7.079 229 HZ PHE 29 HZ PHE 29 68.407 -0.301 9.271 230 HA PRO 30 HA PRO 30 72.034 9.175 7.694 231 HB2 PRO 30 HB2 PRO 30 74.729 8.025 7.485 232 HB3 PRO 30 HB1 PRO 30 74.110 9.244 8.602 233 HG2 PRO 30 HG2 PRO 30 74.709 6.744 9.408 234 HG3 PRO 30 HG1 PRO 30 73.384 7.675 10.123 235 HD2 PRO 30 HD2 PRO 30 73.268 5.489 8.077 236 HD3 PRO 30 HD1 PRO 30 72.226 5.785 9.482 237 H GLY 31 HN GLY 31 71.294 9.584 5.659 238 HA2 GLY 31 HA2 GLY 31 71.983 10.352 3.531 239 HA3 GLY 31 HA1 GLY 31 73.218 9.096 3.504 240 H CYS 32 HN CYS 32 70.425 7.810 4.687 241 HA CYS 32 HA CYS 32 69.711 6.710 2.080 242 HB2 CYS 32 HB2 CYS 32 70.674 5.135 3.558 243 HB3 CYS 32 HB1 CYS 32 69.648 5.671 4.886 244 HG CYS 32 HG CYS 32 67.630 4.266 4.379 245 H GLU 33 HN GLU 33 67.905 7.594 1.379 246 HA GLU 33 HA GLU 33 65.710 8.048 3.266 247 HB2 GLU 33 HB2 GLU 33 66.914 10.211 2.852 248 HB3 GLU 33 HB1 GLU 33 66.524 10.053 1.147 249 HG2 GLU 33 HG2 GLU 33 64.135 10.116 1.707 250 HG3 GLU 33 HG1 GLU 33 64.551 10.324 3.402 251 H VAL 34 HN VAL 34 63.602 7.978 2.242 252 HA VAL 34 HA VAL 34 63.629 6.131 0.010 253 HB VAL 34 HB VAL 34 61.299 7.055 1.725 254 HG11 VAL 34 HG11 VAL 34 61.549 4.680 -0.125 255 HG12 VAL 34 HG12 VAL 34 60.572 6.123 -0.394 256 HG13 VAL 34 HG13 VAL 34 60.176 5.023 0.927 257 HG21 VAL 34 HG21 VAL 34 61.542 4.939 2.950 258 HG22 VAL 34 HG22 VAL 34 62.960 5.970 3.119 259 HG23 VAL 34 HG23 VAL 34 63.006 4.584 2.031 260 H ALA 35 HN ALA 35 62.650 6.580 -1.936 261 HA ALA 35 HA ALA 35 61.841 9.376 -2.338 262 HB1 ALA 35 HB1 ALA 35 63.882 8.763 -3.556 263 HB2 ALA 35 HB2 ALA 35 62.558 9.129 -4.663 264 HB3 ALA 35 HB3 ALA 35 63.008 7.455 -4.353 265 H VAL 36 HN VAL 36 61.314 6.229 -3.920 266 HA VAL 36 HA VAL 36 58.517 7.036 -4.337 267 HB VAL 36 HB VAL 36 60.189 5.123 -6.006 268 HG11 VAL 36 HG11 VAL 36 57.840 4.516 -6.027 269 HG12 VAL 36 HG12 VAL 36 58.319 5.173 -7.592 270 HG13 VAL 36 HG13 VAL 36 57.399 6.165 -6.462 271 HG21 VAL 36 HG21 VAL 36 60.121 6.845 -7.745 272 HG22 VAL 36 HG22 VAL 36 60.919 7.438 -6.290 273 HG23 VAL 36 HG23 VAL 36 59.264 7.925 -6.644 274 H SER 37 HN SER 37 57.072 5.839 -3.236 275 HA SER 37 HA SER 37 57.947 3.235 -2.238 276 HB2 SER 37 HB2 SER 37 55.822 5.070 -1.101 277 HB3 SER 37 HB1 SER 37 56.434 3.549 -0.425 278 HG SER 37 HG SER 37 57.749 4.725 0.560 279 H ASP 38 HN ASP 38 56.851 1.466 -2.962 280 HA ASP 38 HA ASP 38 54.128 1.852 -3.948 281 HB2 ASP 38 HB2 ASP 38 55.680 1.642 -5.913 282 HB3 ASP 38 HB1 ASP 38 56.215 0.098 -5.241 283 H ALA 39 HN ALA 39 53.331 1.102 -2.096 284 HA ALA 39 HA ALA 39 54.119 -1.136 -0.655 285 HB1 ALA 39 HB1 ALA 39 51.330 -0.010 -0.799 286 HB2 ALA 39 HB2 ALA 39 52.630 0.597 0.234 287 HB3 ALA 39 HB3 ALA 39 51.989 -1.029 0.479 288 HA PRO 40 HA PRO 40 50.543 -3.635 -3.226 289 HB2 PRO 40 HB2 PRO 40 50.963 -3.079 -5.919 290 HB3 PRO 40 HB1 PRO 40 49.647 -2.407 -4.946 291 HG2 PRO 40 HG2 PRO 40 52.381 -1.291 -5.414 292 HG3 PRO 40 HG1 PRO 40 50.910 -0.406 -5.705 293 HD2 PRO 40 HD2 PRO 40 52.078 0.078 -3.522 294 HD3 PRO 40 HD1 PRO 40 50.404 -0.499 -3.304 295 H SER 41 HN SER 41 53.635 -2.763 -4.848 296 HA SER 41 HA SER 41 54.117 -5.578 -5.389 297 HB2 SER 41 HB2 SER 41 55.968 -3.260 -5.932 298 HB3 SER 41 HB1 SER 41 55.916 -4.826 -6.749 299 HG SER 41 HG SER 41 54.243 -2.612 -6.961 300 H GLY 42 HN GLY 42 54.920 -3.174 -3.067 301 HA2 GLY 42 HA2 GLY 42 55.986 -3.468 -1.038 302 HA3 GLY 42 HA1 GLY 42 56.493 -5.072 -1.558 303 H GLN 43 HN GLN 43 56.961 -2.289 -3.528 304 HA GLN 43 HA GLN 43 59.847 -2.626 -3.184 305 HB2 GLN 43 HB2 GLN 43 58.259 -1.771 -5.587 306 HB3 GLN 43 HB1 GLN 43 59.999 -1.548 -5.467 307 HG2 GLN 43 HG2 GLN 43 60.293 -3.953 -5.215 308 HG3 GLN 43 HG1 GLN 43 58.551 -4.182 -5.327 309 HE21 GLN 43 HE21 GLN 43 58.221 -2.174 -7.429 310 HE22 GLN 43 HE22 GLN 43 58.860 -2.871 -8.850 311 H LEU 44 HN LEU 44 60.935 -1.067 -2.432 312 HA LEU 44 HA LEU 44 59.798 1.653 -2.440 313 HB2 LEU 44 HB2 LEU 44 61.623 0.439 -0.352 314 HB3 LEU 44 HB1 LEU 44 60.922 2.049 -0.348 315 HG LEU 44 HG LEU 44 59.307 -0.483 -0.138 316 HD11 LEU 44 HD11 LEU 44 60.218 1.427 2.005 317 HD12 LEU 44 HD12 LEU 44 60.750 -0.239 1.801 318 HD13 LEU 44 HD13 LEU 44 59.073 0.106 2.230 319 HD21 LEU 44 HD21 LEU 44 57.525 1.043 0.558 320 HD22 LEU 44 HD22 LEU 44 58.092 1.412 -1.063 321 HD23 LEU 44 HD23 LEU 44 58.598 2.416 0.300 322 H ILE 45 HN ILE 45 61.026 3.064 -3.513 323 HA ILE 45 HA ILE 45 63.738 2.336 -4.291 324 HB ILE 45 HB ILE 45 61.986 4.711 -5.008 325 HG12 ILE 45 HG12 ILE 45 61.287 2.625 -6.072 326 HG13 ILE 45 HG11 ILE 45 61.941 3.741 -7.265 327 HG21 ILE 45 HG21 ILE 45 64.310 5.429 -4.983 328 HG22 ILE 45 HG22 ILE 45 63.687 5.391 -6.630 329 HG23 ILE 45 HG23 ILE 45 64.747 4.102 -6.059 330 HD11 ILE 45 HD11 ILE 45 64.040 2.494 -7.264 331 HD12 ILE 45 HD12 ILE 45 62.672 1.450 -7.661 332 HD13 ILE 45 HD13 ILE 45 63.382 1.387 -6.063 333 H VAL 46 HN VAL 46 65.318 2.872 -3.067 334 HA VAL 46 HA VAL 46 65.004 5.138 -1.241 335 HB VAL 46 HB VAL 46 66.547 2.546 -0.816 336 HG11 VAL 46 HG11 VAL 46 67.055 3.421 1.407 337 HG12 VAL 46 HG12 VAL 46 66.252 4.937 0.996 338 HG13 VAL 46 HG13 VAL 46 67.719 4.462 0.148 339 HG21 VAL 46 HG21 VAL 46 64.090 3.665 0.524 340 HG22 VAL 46 HG22 VAL 46 64.993 2.285 1.104 341 HG23 VAL 46 HG23 VAL 46 64.182 2.208 -0.474 342 H VAL 47 HN VAL 47 66.536 6.669 -1.365 343 HA VAL 47 HA VAL 47 68.734 6.149 -3.227 344 HB VAL 47 HB VAL 47 67.673 8.834 -2.274 345 HG11 VAL 47 HG11 VAL 47 69.094 9.754 -4.078 346 HG12 VAL 47 HG12 VAL 47 69.733 8.136 -4.360 347 HG13 VAL 47 HG13 VAL 47 70.020 8.944 -2.817 348 HG21 VAL 47 HG21 VAL 47 66.051 7.720 -3.734 349 HG22 VAL 47 HG22 VAL 47 67.303 7.486 -4.953 350 HG23 VAL 47 HG23 VAL 47 66.776 9.116 -4.533 351 H VAL 48 HN VAL 48 70.563 5.757 -2.346 352 HA VAL 48 HA VAL 48 71.092 6.859 0.307 353 HB VAL 48 HB VAL 48 72.323 4.392 -0.955 354 HG11 VAL 48 HG11 VAL 48 73.284 3.986 1.256 355 HG12 VAL 48 HG12 VAL 48 72.521 5.450 1.861 356 HG13 VAL 48 HG13 VAL 48 73.781 5.566 0.637 357 HG21 VAL 48 HG21 VAL 48 71.047 3.102 0.693 358 HG22 VAL 48 HG22 VAL 48 69.992 3.978 -0.414 359 HG23 VAL 48 HG23 VAL 48 70.247 4.580 1.225 360 H GLU 49 HN GLU 49 72.430 8.439 0.212 361 HA GLU 49 HA GLU 49 74.541 8.424 -1.788 362 HB2 GLU 49 HB2 GLU 49 74.212 10.924 -1.998 363 HB3 GLU 49 HB1 GLU 49 72.900 9.942 -2.632 364 HG2 GLU 49 HG2 GLU 49 71.677 10.357 -0.479 365 HG3 GLU 49 HG1 GLU 49 72.971 11.502 -0.090 366 H ALA 50 HN ALA 50 76.477 8.607 -0.938 367 HA ALA 50 HA ALA 50 76.782 9.872 1.663 368 HB1 ALA 50 HB1 ALA 50 76.436 7.495 2.133 369 HB2 ALA 50 HB2 ALA 50 78.092 7.974 2.511 370 HB3 ALA 50 HB3 ALA 50 77.748 7.075 1.036 371 H GLU 51 HN GLU 51 78.870 10.534 2.077 372 HA GLU 51 HA GLU 51 80.311 11.387 -0.231 373 HB2 GLU 51 HB2 GLU 51 80.010 12.796 1.765 374 HB3 GLU 51 HB1 GLU 51 80.936 11.630 2.704 375 HG2 GLU 51 HG2 GLU 51 82.894 12.096 1.292 376 HG3 GLU 51 HG1 GLU 51 81.953 13.296 0.410 377 H ASP 52 HN ASP 52 80.745 9.000 2.257 378 HA ASP 52 HA ASP 52 83.347 8.328 1.098 379 HB2 ASP 52 HB2 ASP 52 83.517 8.730 3.443 380 HB3 ASP 52 HB1 ASP 52 82.177 7.641 3.783 381 H SER 53 HN SER 53 83.854 6.407 0.266 382 HA SER 53 HA SER 53 81.990 4.917 -1.062 383 HB2 SER 53 HB2 SER 53 84.712 4.007 -0.156 384 HB3 SER 53 HB1 SER 53 83.836 3.468 -1.585 385 HG SER 53 HG SER 53 83.995 5.656 -2.376 386 H GLU 54 HN GLU 54 83.696 3.978 2.022 387 HA GLU 54 HA GLU 54 82.413 1.489 2.177 388 HB2 GLU 54 HB2 GLU 54 83.947 3.145 4.148 389 HB3 GLU 54 HB1 GLU 54 83.545 1.443 4.304 390 HG2 GLU 54 HG2 GLU 54 84.892 0.892 2.403 391 HG3 GLU 54 HG1 GLU 54 85.209 2.592 2.087 392 H THR 55 HN THR 55 81.963 4.666 3.523 393 HA THR 55 HA THR 55 79.999 4.117 5.443 394 HB THR 55 HB THR 55 80.332 6.607 3.738 395 HG1 THR 55 HG1 THR 55 82.237 5.956 4.876 396 HG21 THR 55 HG21 THR 55 79.308 7.805 5.600 397 HG22 THR 55 HG22 THR 55 79.119 6.300 6.504 398 HG23 THR 55 HG23 THR 55 78.200 6.563 5.016 399 H LEU 56 HN LEU 56 79.776 4.597 1.959 400 HA LEU 56 HA LEU 56 76.953 4.587 1.740 401 HB2 LEU 56 HB2 LEU 56 78.589 5.240 -0.076 402 HB3 LEU 56 HB1 LEU 56 78.962 3.543 -0.276 403 HG LEU 56 HG LEU 56 76.477 3.224 -0.760 404 HD11 LEU 56 HD11 LEU 56 75.703 5.316 0.117 405 HD12 LEU 56 HD12 LEU 56 75.287 5.168 -1.595 406 HD13 LEU 56 HD13 LEU 56 76.629 6.200 -1.094 407 HD21 LEU 56 HD21 LEU 56 76.731 3.886 -3.109 408 HD22 LEU 56 HD22 LEU 56 78.174 3.082 -2.492 409 HD23 LEU 56 HD23 LEU 56 78.153 4.836 -2.679 410 H ILE 57 HN ILE 57 79.433 2.079 1.422 411 HA ILE 57 HA ILE 57 77.837 -0.136 0.879 412 HB ILE 57 HB ILE 57 80.426 -0.147 2.459 413 HG12 ILE 57 HG12 ILE 57 80.742 0.981 0.321 414 HG13 ILE 57 HG11 ILE 57 81.543 -0.586 0.311 415 HG21 ILE 57 HG21 ILE 57 79.105 -2.356 0.881 416 HG22 ILE 57 HG22 ILE 57 79.242 -2.264 2.638 417 HG23 ILE 57 HG23 ILE 57 80.692 -2.447 1.648 418 HD11 ILE 57 HD11 ILE 57 79.668 -1.500 -0.988 419 HD12 ILE 57 HD12 ILE 57 80.477 -0.159 -1.804 420 HD13 ILE 57 HD13 ILE 57 78.924 0.103 -1.010 421 H GLN 58 HN GLN 58 78.980 1.036 4.022 422 HA GLN 58 HA GLN 58 77.891 -0.915 5.694 423 HB2 GLN 58 HB2 GLN 58 78.165 2.040 6.271 424 HB3 GLN 58 HB1 GLN 58 77.890 0.810 7.483 425 HG2 GLN 58 HG2 GLN 58 80.336 1.082 5.749 426 HG3 GLN 58 HG1 GLN 58 80.194 1.529 7.445 427 HE21 GLN 58 HE21 GLN 58 80.487 -1.069 5.206 428 HE22 GLN 58 HE22 GLN 58 80.800 -2.305 6.343 429 H THR 59 HN THR 59 76.434 2.003 4.418 430 HA THR 59 HA THR 59 74.018 1.741 5.857 431 HB THR 59 HB THR 59 74.617 3.364 3.375 432 HG1 THR 59 HG1 THR 59 75.981 4.195 4.852 433 HG21 THR 59 HG21 THR 59 72.207 3.181 3.876 434 HG22 THR 59 HG22 THR 59 72.797 4.807 4.216 435 HG23 THR 59 HG23 THR 59 72.527 3.673 5.539 436 H ILE 60 HN ILE 60 75.062 0.718 2.649 437 HA ILE 60 HA ILE 60 72.529 -0.179 1.770 438 HB ILE 60 HB ILE 60 75.294 -1.168 0.981 439 HG12 ILE 60 HG12 ILE 60 73.492 0.860 -0.377 440 HG13 ILE 60 HG11 ILE 60 74.902 1.260 0.590 441 HG21 ILE 60 HG21 ILE 60 73.556 -2.792 0.377 442 HG22 ILE 60 HG22 ILE 60 74.211 -2.023 -1.064 443 HG23 ILE 60 HG23 ILE 60 72.639 -1.523 -0.439 444 HD11 ILE 60 HD11 ILE 60 74.886 -0.279 -1.994 445 HD12 ILE 60 HD12 ILE 60 76.323 0.094 -1.030 446 HD13 ILE 60 HD13 ILE 60 75.396 1.396 -1.776 447 H GLU 61 HN GLU 61 75.169 -1.727 3.553 448 HA GLU 61 HA GLU 61 74.000 -4.276 3.737 449 HB2 GLU 61 HB2 GLU 61 75.934 -2.933 5.631 450 HB3 GLU 61 HB1 GLU 61 75.520 -4.637 5.672 451 HG2 GLU 61 HG2 GLU 61 76.433 -4.861 3.372 452 HG3 GLU 61 HG1 GLU 61 76.958 -3.183 3.459 453 H SER 62 HN SER 62 73.701 -1.392 5.751 454 HA SER 62 HA SER 62 72.236 -2.338 7.896 455 HB2 SER 62 HB2 SER 62 72.064 0.188 6.352 456 HB3 SER 62 HB1 SER 62 71.315 -0.027 7.910 457 HG SER 62 HG SER 62 74.090 -0.549 7.566 458 H VAL 63 HN VAL 63 71.172 -1.120 4.782 459 HA VAL 63 HA VAL 63 68.426 -1.309 5.102 460 HB VAL 63 HB VAL 63 70.253 -1.388 2.753 461 HG11 VAL 63 HG11 VAL 63 67.208 -1.154 2.673 462 HG12 VAL 63 HG12 VAL 63 68.145 -2.513 2.069 463 HG13 VAL 63 HG13 VAL 63 68.271 -0.939 1.279 464 HG21 VAL 63 HG21 VAL 63 70.225 0.687 3.931 465 HG22 VAL 63 HG22 VAL 63 68.468 0.770 3.855 466 HG23 VAL 63 HG23 VAL 63 69.420 0.912 2.378 467 H ARG 64 HN ARG 64 70.789 -3.704 4.069 468 HA ARG 64 HA ARG 64 68.843 -5.693 3.323 469 HB2 ARG 64 HB2 ARG 64 71.735 -6.128 4.034 470 HB3 ARG 64 HB1 ARG 64 70.702 -7.217 3.127 471 HG2 ARG 64 HG2 ARG 64 70.579 -5.540 1.325 472 HG3 ARG 64 HG1 ARG 64 71.691 -4.516 2.237 473 HD2 ARG 64 HD2 ARG 64 72.200 -7.256 1.129 474 HD3 ARG 64 HD1 ARG 64 72.952 -5.740 0.613 475 HE ARG 64 HE ARG 64 73.402 -6.332 3.379 476 HH11 ARG 64 HH11 ARG 64 74.590 -7.049 0.132 477 HH12 ARG 64 HH12 ARG 64 76.127 -7.554 0.655 478 HH21 ARG 64 HH21 ARG 64 75.464 -7.020 4.103 479 HH22 ARG 64 HH22 ARG 64 76.651 -7.509 2.984 480 H ASN 65 HN ASN 65 70.173 -4.596 6.279 481 HA ASN 65 HA ASN 65 69.778 -7.079 7.688 482 HB2 ASN 65 HB2 ASN 65 70.689 -4.343 8.561 483 HB3 ASN 65 HB1 ASN 65 70.448 -5.678 9.690 484 HD21 ASN 65 HD21 ASN 65 72.840 -4.235 9.153 485 HD22 ASN 65 HD22 ASN 65 74.006 -5.333 8.514 486 H VAL 66 HN VAL 66 67.830 -4.634 6.645 487 HA VAL 66 HA VAL 66 66.083 -4.479 8.922 488 HB VAL 66 HB VAL 66 65.559 -3.700 6.043 489 HG11 VAL 66 HG11 VAL 66 64.078 -3.090 8.593 490 HG12 VAL 66 HG12 VAL 66 63.490 -4.072 7.254 491 HG13 VAL 66 HG13 VAL 66 63.734 -2.330 7.040 492 HG21 VAL 66 HG21 VAL 66 67.403 -2.433 7.019 493 HG22 VAL 66 HG22 VAL 66 66.389 -2.022 8.405 494 HG23 VAL 66 HG23 VAL 66 65.979 -1.411 6.804 495 H GLU 67 HN GLU 67 64.961 -5.948 9.649 496 HA GLU 67 HA GLU 67 64.436 -8.253 8.189 497 HB2 GLU 67 HB2 GLU 67 63.599 -7.302 10.896 498 HB3 GLU 67 HB1 GLU 67 63.324 -8.925 10.253 499 HG2 GLU 67 HG2 GLU 67 65.661 -9.158 9.823 500 HG3 GLU 67 HG1 GLU 67 65.945 -7.570 10.505 501 H GLY 68 HN GLY 68 63.132 -8.374 6.809 502 HA2 GLY 68 HA2 GLY 68 60.580 -8.463 6.506 503 HA3 GLY 68 HA1 GLY 68 60.728 -6.715 6.726 504 H VAL 69 HN VAL 69 63.519 -7.282 5.449 505 HA VAL 69 HA VAL 69 62.574 -6.665 2.771 506 HB VAL 69 HB VAL 69 65.407 -6.630 3.870 507 HG11 VAL 69 HG11 VAL 69 65.404 -7.011 1.473 508 HG12 VAL 69 HG12 VAL 69 65.970 -5.381 1.849 509 HG13 VAL 69 HG13 VAL 69 64.332 -5.631 1.238 510 HG21 VAL 69 HG21 VAL 69 65.174 -4.197 3.804 511 HG22 VAL 69 HG22 VAL 69 63.974 -4.923 4.882 512 HG23 VAL 69 HG23 VAL 69 63.504 -4.369 3.274 513 H LEU 70 HN LEU 70 62.939 -7.865 0.987 514 HA LEU 70 HA LEU 70 63.574 -10.683 1.439 515 HB2 LEU 70 HB2 LEU 70 62.335 -9.328 -0.956 516 HB3 LEU 70 HB1 LEU 70 62.445 -11.050 -0.663 517 HG LEU 70 HG LEU 70 60.781 -9.130 0.965 518 HD11 LEU 70 HD11 LEU 70 58.874 -10.150 -0.165 519 HD12 LEU 70 HD12 LEU 70 59.975 -11.079 -1.187 520 HD13 LEU 70 HD13 LEU 70 59.943 -9.320 -1.297 521 HD21 LEU 70 HD21 LEU 70 60.915 -12.146 0.953 522 HD22 LEU 70 HD22 LEU 70 59.791 -11.167 1.900 523 HD23 LEU 70 HD23 LEU 70 61.517 -11.087 2.228 524 H ALA 71 HN ALA 71 63.977 -8.114 -0.970 525 HA ALA 71 HA ALA 71 66.717 -8.967 -1.385 526 HB1 ALA 71 HB1 ALA 71 66.435 -8.891 -3.809 527 HB2 ALA 71 HB2 ALA 71 64.716 -8.582 -3.614 528 HB3 ALA 71 HB3 ALA 71 65.396 -10.129 -3.099 529 H VAL 72 HN VAL 72 67.989 -7.292 -1.598 530 HA VAL 72 HA VAL 72 66.809 -4.642 -2.097 531 HB VAL 72 HB VAL 72 69.560 -5.300 -0.964 532 HG11 VAL 72 HG11 VAL 72 69.501 -3.175 -2.154 533 HG12 VAL 72 HG12 VAL 72 69.670 -2.903 -0.418 534 HG13 VAL 72 HG13 VAL 72 68.108 -2.663 -1.197 535 HG21 VAL 72 HG21 VAL 72 67.813 -5.899 0.639 536 HG22 VAL 72 HG22 VAL 72 67.114 -4.289 0.475 537 HG23 VAL 72 HG23 VAL 72 68.712 -4.484 1.189 538 H SER 73 HN SER 73 66.905 -4.299 -4.208 539 HA SER 73 HA SER 73 69.097 -5.411 -5.712 540 HB2 SER 73 HB2 SER 73 66.716 -3.802 -6.626 541 HB3 SER 73 HB1 SER 73 67.792 -4.772 -7.638 542 HG SER 73 HG SER 73 65.593 -5.642 -6.518 543 H LEU 74 HN LEU 74 70.879 -4.307 -5.912 544 HA LEU 74 HA LEU 74 71.009 -1.554 -5.004 545 HB2 LEU 74 HB2 LEU 74 72.549 -3.650 -4.475 546 HB3 LEU 74 HB1 LEU 74 73.350 -3.144 -5.940 547 HG LEU 74 HG LEU 74 73.077 -1.571 -3.383 548 HD11 LEU 74 HD11 LEU 74 75.522 -1.753 -3.313 549 HD12 LEU 74 HD12 LEU 74 75.456 -2.813 -4.724 550 HD13 LEU 74 HD13 LEU 74 74.697 -3.309 -3.209 551 HD21 LEU 74 HD21 LEU 74 72.984 -0.032 -5.279 552 HD22 LEU 74 HD22 LEU 74 74.439 -0.764 -5.948 553 HD23 LEU 74 HD23 LEU 74 74.525 0.124 -4.428 554 H VAL 75 HN VAL 75 70.515 -0.089 -6.523 555 HA VAL 75 HA VAL 75 71.355 -0.547 -9.242 556 HB VAL 75 HB VAL 75 69.696 1.664 -8.035 557 HG11 VAL 75 HG11 VAL 75 69.102 2.222 -10.399 558 HG12 VAL 75 HG12 VAL 75 70.250 0.997 -10.952 559 HG13 VAL 75 HG13 VAL 75 70.828 2.418 -10.087 560 HG21 VAL 75 HG21 VAL 75 68.561 -0.485 -7.959 561 HG22 VAL 75 HG22 VAL 75 68.835 -0.709 -9.689 562 HG23 VAL 75 HG23 VAL 75 67.786 0.588 -9.124 563 H TYR 76 HN TYR 76 73.499 -0.365 -8.928 564 HA TYR 76 HA TYR 76 74.491 2.359 -9.067 565 HB2 TYR 76 HB2 TYR 76 74.911 1.641 -6.715 566 HB3 TYR 76 HB1 TYR 76 75.727 0.206 -7.314 567 HD1 TYR 76 HD1 TYR 76 75.981 3.843 -6.871 568 HD2 TYR 76 HD2 TYR 76 78.000 0.323 -8.141 569 HE1 TYR 76 HE1 TYR 76 78.120 5.065 -6.842 570 HE2 TYR 76 HE2 TYR 76 80.144 1.530 -8.111 571 HH TYR 76 HH TYR 76 80.591 4.464 -6.590 572 H HIS 77 HN HIS 77 75.688 2.472 -10.840 573 HA HIS 77 HA HIS 77 76.514 -0.057 -11.980 574 HB2 HIS 77 HB2 HIS 77 76.748 1.189 -14.163 575 HB3 HIS 77 HB1 HIS 77 75.112 1.072 -13.546 576 HD1 HIS 77 HD1 HIS 77 73.840 3.226 -13.484 577 HD2 HIS 77 HD2 HIS 77 77.945 3.825 -13.704 578 HE1 HIS 77 HE1 HIS 77 74.170 5.707 -13.772 579 H GLN 78 HN GLN 78 78.526 -0.430 -12.667 580 HA GLN 78 HA GLN 78 80.586 1.525 -12.098 581 HB2 GLN 78 HB2 GLN 78 80.315 0.239 -10.013 582 HB3 GLN 78 HB1 GLN 78 80.480 -1.265 -10.905 583 HG2 GLN 78 HG2 GLN 78 82.782 -0.794 -11.368 584 HG3 GLN 78 HG1 GLN 78 82.640 0.821 -10.684 585 HE21 GLN 78 HE21 GLN 78 82.564 1.068 -8.496 586 HE22 GLN 78 HE22 GLN 78 82.982 -0.195 -7.389 587 H GLN 79 HN GLN 79 82.578 0.921 -13.133 588 HA GLN 79 HA GLN 79 82.165 -0.134 -15.720 589 HB2 GLN 79 HB2 GLN 79 84.755 0.605 -14.327 590 HB3 GLN 79 HB1 GLN 79 84.600 0.225 -16.027 591 HG2 GLN 79 HG2 GLN 79 84.736 2.592 -15.846 592 HG3 GLN 79 HG1 GLN 79 83.073 2.198 -16.255 593 HE21 GLN 79 HE21 GLN 79 84.450 1.937 -13.002 594 HE22 GLN 79 HE22 GLN 79 83.516 3.220 -12.335 595 H GLU 80 HN GLU 80 81.576 -2.254 -15.603 596 HA GLU 80 HA GLU 80 83.438 -4.124 -14.370 597 HB2 GLU 80 HB2 GLU 80 81.651 -5.823 -14.694 598 HB3 GLU 80 HB1 GLU 80 81.104 -4.458 -13.741 599 HG2 GLU 80 HG2 GLU 80 80.015 -3.541 -15.782 600 HG3 GLU 80 HG1 GLU 80 80.482 -5.010 -16.636 601 H GLU 81 HN GLU 81 84.763 -5.325 -15.521 602 HA GLU 81 HA GLU 81 84.786 -4.981 -18.397 603 HB2 GLU 81 HB2 GLU 81 86.874 -4.658 -17.155 604 HB3 GLU 81 HB1 GLU 81 86.769 -6.296 -16.532 605 HG2 GLU 81 HG2 GLU 81 87.036 -7.183 -18.778 606 HG3 GLU 81 HG1 GLU 81 87.097 -5.544 -19.427 607 H GLN 82 HN GLN 82 84.411 -7.446 -15.980 608 HA GLN 82 HA GLN 82 83.504 -9.495 -15.954 609 HB2 GLN 82 HB2 GLN 82 81.637 -8.528 -17.204 610 HB3 GLN 82 HB1 GLN 82 82.494 -8.787 -18.711 611 HG2 GLN 82 HG2 GLN 82 82.382 -11.225 -18.310 612 HG3 GLN 82 HG1 GLN 82 81.405 -10.905 -16.876 613 HE21 GLN 82 HE21 GLN 82 79.649 -11.986 -17.704 614 HE22 GLN 82 HE22 GLN 82 78.698 -11.331 -18.998 615 H GLY 83 HN GLY 83 84.303 -9.459 -19.429 616 HA2 GLY 83 HA2 GLY 83 85.889 -10.693 -20.618 617 HA3 GLY 83 HA1 GLY 83 86.647 -11.074 -19.080 618 H GLU 84 HN GLU 84 86.900 -13.036 -20.393 619 HA GLU 84 HA GLU 84 86.645 -15.196 -20.627 620 HB2 GLU 84 HB2 GLU 84 86.022 -15.131 -18.209 621 HB3 GLU 84 HB1 GLU 84 84.333 -15.044 -18.684 622 HG2 GLU 84 HG2 GLU 84 84.874 -17.303 -18.075 623 HG3 GLU 84 HG1 GLU 84 84.580 -17.219 -19.816 624 H GLU 85 HN GLU 85 86.051 -15.778 -22.595 625 HA GLU 85 HA GLU 85 83.215 -15.575 -23.262 626 HB2 GLU 85 HB2 GLU 85 83.864 -15.114 -25.600 627 HB3 GLU 85 HB1 GLU 85 84.385 -13.862 -24.487 628 HG2 GLU 85 HG2 GLU 85 86.656 -14.828 -24.510 629 HG3 GLU 85 HG1 GLU 85 86.111 -16.022 -25.683 630 H THR 86 HN THR 86 82.274 -17.316 -24.073 631 HA THR 86 HA THR 86 83.915 -19.546 -24.978 632 HB THR 86 HB THR 86 81.332 -19.747 -23.363 633 HG1 THR 86 HG1 THR 86 84.028 -20.263 -22.643 634 HG21 THR 86 HG21 THR 86 81.870 -22.158 -23.262 635 HG22 THR 86 HG22 THR 86 83.297 -21.883 -24.258 636 HG23 THR 86 HG23 THR 86 81.691 -21.622 -24.934 637 HA PRO 87 HA PRO 87 81.053 -18.040 -28.168 638 HB2 PRO 87 HB2 PRO 87 82.953 -19.103 -30.115 639 HB3 PRO 87 HB1 PRO 87 82.442 -17.439 -29.801 640 HG2 PRO 87 HG2 PRO 87 84.949 -18.328 -29.196 641 HG3 PRO 87 HG1 PRO 87 84.123 -17.031 -28.319 642 HD2 PRO 87 HD2 PRO 87 84.426 -19.914 -27.578 643 HD3 PRO 87 HD1 PRO 87 84.565 -18.457 -26.567 644 H ARG 88 HN ARG 88 82.772 -20.899 -29.426 645 HA ARG 88 HA ARG 88 80.179 -22.288 -29.388 646 HB2 ARG 88 HB2 ARG 88 80.662 -23.228 -31.564 647 HB3 ARG 88 HB1 ARG 88 80.887 -21.497 -31.687 648 HG2 ARG 88 HG2 ARG 88 83.354 -21.924 -31.355 649 HG3 ARG 88 HG1 ARG 88 82.992 -23.639 -31.576 650 HD2 ARG 88 HD2 ARG 88 82.678 -21.377 -33.536 651 HD3 ARG 88 HD1 ARG 88 83.663 -22.828 -33.697 652 HE ARG 88 HE ARG 88 80.727 -22.769 -33.772 653 HH11 ARG 88 HH11 ARG 88 83.751 -24.310 -34.792 654 HH12 ARG 88 HH12 ARG 88 83.019 -25.229 -36.019 655 HH21 ARG 88 HH21 ARG 88 79.752 -23.991 -35.430 656 HH22 ARG 88 HH22 ARG 88 80.674 -25.061 -36.388 657 H SER 89 HN SER 89 82.510 -22.056 -27.694 658 HA SER 89 HA SER 89 83.752 -23.221 -26.264 659 HB2 SER 89 HB2 SER 89 81.948 -24.932 -26.181 660 HB3 SER 89 HB1 SER 89 82.655 -25.715 -27.593 661 HG SER 89 HG SER 89 83.867 -26.755 -26.284 662 H HIS 90 HN HIS 90 85.831 -23.990 -26.171 663 HA HIS 90 HA HIS 90 87.219 -23.743 -28.678 664 HB2 HIS 90 HB2 HIS 90 88.262 -24.168 -25.864 665 HB3 HIS 90 HB1 HIS 90 89.270 -23.898 -27.279 666 HD1 HIS 90 HD1 HIS 90 87.909 -22.049 -24.524 667 HD2 HIS 90 HD2 HIS 90 88.460 -21.312 -28.581 668 HE1 HIS 90 HE1 HIS 90 87.829 -19.554 -24.798 669 H HIS 91 HN HIS 91 86.444 -26.181 -26.334 670 HA HIS 91 HA HIS 91 87.663 -28.167 -28.099 671 HB2 HIS 91 HB2 HIS 91 87.092 -28.325 -25.136 672 HB3 HIS 91 HB1 HIS 91 87.517 -29.721 -26.113 673 HD1 HIS 91 HD1 HIS 91 89.997 -29.988 -26.777 674 HD2 HIS 91 HD2 HIS 91 89.174 -26.479 -24.712 675 HE1 HIS 91 HE1 HIS 91 92.217 -29.013 -26.165 676 H HIS 92 HN HIS 92 86.537 -29.797 -28.850 677 HA HIS 92 HA HIS 92 83.743 -29.521 -29.114 678 HB2 HIS 92 HB2 HIS 92 85.139 -30.418 -30.904 679 HB3 HIS 92 HB1 HIS 92 85.664 -31.736 -29.873 680 HD1 HIS 92 HD1 HIS 92 84.700 -33.780 -30.952 681 HD2 HIS 92 HD2 HIS 92 81.958 -30.664 -30.742 682 HE1 HIS 92 HE1 HIS 92 82.568 -34.684 -31.871 683 H HIS 93 HN HIS 93 82.477 -29.868 -27.453 684 HA HIS 93 HA HIS 93 83.101 -31.789 -25.413 685 HB2 HIS 93 HB2 HIS 93 80.629 -30.094 -25.827 686 HB3 HIS 93 HB1 HIS 93 80.877 -31.159 -24.455 687 HD1 HIS 93 HD1 HIS 93 80.666 -27.853 -24.697 688 HD2 HIS 93 HD2 HIS 93 83.890 -30.239 -23.639 689 HE1 HIS 93 HE1 HIS 93 82.168 -26.409 -23.282 690 H HIS 94 HN HIS 94 83.093 -33.782 -26.247 691 HA HIS 94 HA HIS 94 80.489 -34.798 -27.082 692 HB2 HIS 94 HB2 HIS 94 81.970 -34.626 -29.067 693 HB3 HIS 94 HB1 HIS 94 83.190 -35.585 -28.234 694 HD1 HIS 94 HD1 HIS 94 79.985 -35.914 -30.186 695 HD2 HIS 94 HD2 HIS 94 82.603 -38.336 -28.034 696 HE1 HIS 94 HE1 HIS 94 79.388 -38.264 -30.763 697 H HIS 95 HN HIS 95 79.852 -36.203 -25.610 698 HA HIS 95 HA HIS 95 81.883 -37.760 -24.170 699 HB2 HIS 95 HB2 HIS 95 79.218 -36.761 -23.082 700 HB3 HIS 95 HB1 HIS 95 80.307 -37.842 -22.248 701 HD1 HIS 95 HD1 HIS 95 80.454 -36.136 -20.264 702 HD2 HIS 95 HD2 HIS 95 81.808 -34.648 -23.894 703 HE1 HIS 95 HE1 HIS 95 81.594 -33.957 -19.739 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 77.762 17.770 4.906 2 H2 MET 1 HT2 MET 1 79.159 17.759 3.984 3 H3 MET 1 HT3 MET 1 78.443 16.323 4.456 4 HA MET 1 HA MET 1 76.515 16.679 3.152 5 HB2 MET 1 HB2 MET 1 76.339 18.583 1.623 6 HB3 MET 1 HB1 MET 1 76.373 19.116 3.292 7 HG2 MET 1 HG2 MET 1 78.751 19.707 3.029 8 HG3 MET 1 HG1 MET 1 78.671 19.207 1.342 9 HE1 MET 1 HE1 MET 1 75.726 20.282 0.508 10 HE2 MET 1 HE2 MET 1 77.172 20.424 -0.488 11 HE3 MET 1 HE3 MET 1 76.182 21.848 -0.164 12 H HIS 2 HN HIS 2 79.699 16.173 2.936 13 HA HIS 2 HA HIS 2 81.022 15.054 1.669 14 HB2 HIS 2 HB2 HIS 2 78.701 14.635 -0.242 15 HB3 HIS 2 HB1 HIS 2 80.253 13.813 -0.348 16 HD1 HIS 2 HD1 HIS 2 80.792 12.286 1.942 17 HD2 HIS 2 HD2 HIS 2 76.847 13.347 1.203 18 HE1 HIS 2 HE1 HIS 2 79.376 10.720 3.313 19 H THR 3 HN THR 3 82.491 15.379 0.004 20 HA THR 3 HA THR 3 82.519 18.101 -0.885 21 HB THR 3 HB THR 3 84.429 15.811 -1.445 22 HG1 THR 3 HG1 THR 3 83.948 17.388 0.777 23 HG21 THR 3 HG21 THR 3 84.844 18.812 -1.446 24 HG22 THR 3 HG22 THR 3 84.717 17.796 -2.885 25 HG23 THR 3 HG23 THR 3 86.076 17.595 -1.785 26 H ASN 4 HN ASN 4 82.437 14.864 -2.242 27 HA ASN 4 HA ASN 4 80.822 15.797 -4.456 28 HB2 ASN 4 HB2 ASN 4 83.142 15.824 -5.374 29 HB3 ASN 4 HB1 ASN 4 83.354 14.167 -4.840 30 HD21 ASN 4 HD21 ASN 4 81.752 16.236 -7.172 31 HD22 ASN 4 HD22 ASN 4 81.302 14.963 -8.245 32 H TRP 5 HN TRP 5 79.139 14.546 -4.416 33 HA TRP 5 HA TRP 5 79.440 11.944 -3.142 34 HB2 TRP 5 HB2 TRP 5 76.916 12.215 -2.718 35 HB3 TRP 5 HB1 TRP 5 78.003 13.108 -1.696 36 HD1 TRP 5 HD1 TRP 5 77.903 15.793 -1.887 37 HE1 TRP 5 HE1 TRP 5 76.228 17.376 -3.016 38 HE3 TRP 5 HE3 TRP 5 75.488 12.419 -4.676 39 HZ2 TRP 5 HZ2 TRP 5 74.109 17.200 -4.893 40 HZ3 TRP 5 HZ3 TRP 5 73.609 13.150 -6.168 41 HH2 TRP 5 HH2 TRP 5 72.946 15.511 -6.259 42 H GLN 6 HN GLN 6 78.045 10.275 -3.784 43 HA GLN 6 HA GLN 6 77.045 10.405 -6.531 44 HB2 GLN 6 HB2 GLN 6 77.580 7.906 -6.532 45 HB3 GLN 6 HB1 GLN 6 78.972 8.976 -6.615 46 HG2 GLN 6 HG2 GLN 6 79.569 8.555 -4.391 47 HG3 GLN 6 HG1 GLN 6 77.990 7.890 -4.005 48 HE21 GLN 6 HE21 GLN 6 77.561 5.812 -4.462 49 HE22 GLN 6 HE22 GLN 6 78.771 4.677 -4.943 50 H VAL 7 HN VAL 7 74.967 9.616 -6.736 51 HA VAL 7 HA VAL 7 73.791 8.540 -4.285 52 HB VAL 7 HB VAL 7 71.539 9.150 -5.227 53 HG11 VAL 7 HG11 VAL 7 71.699 11.521 -4.658 54 HG12 VAL 7 HG12 VAL 7 73.461 11.414 -4.765 55 HG13 VAL 7 HG13 VAL 7 72.593 10.491 -3.540 56 HG21 VAL 7 HG21 VAL 7 71.410 10.844 -6.991 57 HG22 VAL 7 HG22 VAL 7 72.163 9.364 -7.591 58 HG23 VAL 7 HG23 VAL 7 73.158 10.764 -7.194 59 H CYS 8 HN CYS 8 72.753 6.685 -4.264 60 HA CYS 8 HA CYS 8 72.590 5.206 -6.795 61 HB2 CYS 8 HB2 CYS 8 73.151 3.165 -5.516 62 HB3 CYS 8 HB1 CYS 8 74.452 4.350 -5.418 63 HG CYS 8 HG CYS 8 72.110 4.213 -2.995 64 H SER 9 HN SER 9 70.770 3.905 -6.968 65 HA SER 9 HA SER 9 68.683 4.511 -5.050 66 HB2 SER 9 HB2 SER 9 68.127 5.026 -7.341 67 HB3 SER 9 HB1 SER 9 68.582 3.408 -7.887 68 HG SER 9 HG SER 9 66.294 3.906 -7.555 69 H LEU 10 HN LEU 10 67.924 2.932 -3.839 70 HA LEU 10 HA LEU 10 69.033 0.243 -4.247 71 HB2 LEU 10 HB2 LEU 10 67.953 1.505 -1.764 72 HB3 LEU 10 HB1 LEU 10 68.673 -0.080 -1.870 73 HG LEU 10 HG LEU 10 70.146 2.504 -2.349 74 HD11 LEU 10 HD11 LEU 10 69.512 2.232 -0.002 75 HD12 LEU 10 HD12 LEU 10 71.252 2.031 -0.213 76 HD13 LEU 10 HD13 LEU 10 70.222 0.616 0.011 77 HD21 LEU 10 HD21 LEU 10 71.078 0.671 -3.620 78 HD22 LEU 10 HD22 LEU 10 71.124 -0.343 -2.176 79 HD23 LEU 10 HD23 LEU 10 72.155 1.083 -2.286 80 H VAL 11 HN VAL 11 67.595 -1.019 -5.058 81 HA VAL 11 HA VAL 11 64.774 -0.464 -4.626 82 HB VAL 11 HB VAL 11 66.122 -2.580 -6.347 83 HG11 VAL 11 HG11 VAL 11 63.209 -1.841 -6.160 84 HG12 VAL 11 HG12 VAL 11 63.924 -3.334 -5.558 85 HG13 VAL 11 HG13 VAL 11 63.904 -3.000 -7.291 86 HG21 VAL 11 HG21 VAL 11 66.409 -0.299 -7.180 87 HG22 VAL 11 HG22 VAL 11 64.660 -0.068 -7.121 88 HG23 VAL 11 HG23 VAL 11 65.355 -1.243 -8.238 89 H VAL 12 HN VAL 12 64.241 -1.016 -2.694 90 HA VAL 12 HA VAL 12 65.245 -3.470 -1.533 91 HB VAL 12 HB VAL 12 63.592 -1.243 -0.309 92 HG11 VAL 12 HG11 VAL 12 63.266 -3.389 0.830 93 HG12 VAL 12 HG12 VAL 12 64.135 -2.239 1.845 94 HG13 VAL 12 HG13 VAL 12 65.014 -3.536 1.045 95 HG21 VAL 12 HG21 VAL 12 65.663 -0.584 0.838 96 HG22 VAL 12 HG22 VAL 12 65.820 -0.460 -0.913 97 HG23 VAL 12 HG23 VAL 12 66.547 -1.818 -0.055 98 H GLN 13 HN GLN 13 64.118 -5.165 -2.085 99 HA GLN 13 HA GLN 13 61.248 -5.066 -2.484 100 HB2 GLN 13 HB2 GLN 13 63.156 -7.404 -2.321 101 HB3 GLN 13 HB1 GLN 13 61.468 -7.498 -2.797 102 HG2 GLN 13 HG2 GLN 13 63.630 -6.029 -4.222 103 HG3 GLN 13 HG1 GLN 13 62.999 -7.626 -4.680 104 HE21 GLN 13 HE21 GLN 13 63.114 -5.317 -6.303 105 HE22 GLN 13 HE22 GLN 13 61.509 -4.856 -6.725 106 H ALA 14 HN ALA 14 59.880 -5.554 -0.936 107 HA ALA 14 HA ALA 14 60.831 -6.804 1.532 108 HB1 ALA 14 HB1 ALA 14 59.946 -4.994 2.924 109 HB2 ALA 14 HB2 ALA 14 59.583 -4.057 1.475 110 HB3 ALA 14 HB3 ALA 14 61.256 -4.446 1.881 111 H LYS 15 HN LYS 15 58.965 -7.068 3.093 112 HA LYS 15 HA LYS 15 56.752 -8.295 1.835 113 HB2 LYS 15 HB2 LYS 15 57.270 -7.508 4.687 114 HB3 LYS 15 HB1 LYS 15 55.686 -8.078 4.228 115 HG2 LYS 15 HG2 LYS 15 56.739 -9.963 5.091 116 HG3 LYS 15 HG1 LYS 15 56.892 -10.154 3.359 117 HD2 LYS 15 HD2 LYS 15 59.217 -9.429 3.454 118 HD3 LYS 15 HD1 LYS 15 59.061 -9.115 5.191 119 HE2 LYS 15 HE2 LYS 15 58.537 -11.478 5.574 120 HE3 LYS 15 HE1 LYS 15 58.700 -11.797 3.851 121 HZ1 LYS 15 HZ1 LYS 15 60.900 -10.974 5.715 122 HZ2 LYS 15 HZ2 LYS 15 61.110 -11.204 4.065 123 HZ3 LYS 15 HZ3 LYS 15 60.656 -12.473 5.034 124 H SER 16 HN SER 16 54.941 -7.483 1.050 125 HA SER 16 HA SER 16 54.639 -4.748 0.644 126 HB2 SER 16 HB2 SER 16 52.620 -6.948 0.275 127 HB3 SER 16 HB1 SER 16 52.620 -5.375 -0.529 128 HG SER 16 HG SER 16 53.808 -6.298 -1.967 129 H GLU 17 HN GLU 17 53.295 -6.849 3.065 130 HA GLU 17 HA GLU 17 51.292 -4.945 3.962 131 HB2 GLU 17 HB2 GLU 17 50.850 -6.605 5.711 132 HB3 GLU 17 HB1 GLU 17 50.848 -7.330 4.112 133 HG2 GLU 17 HG2 GLU 17 53.037 -8.241 4.444 134 HG3 GLU 17 HG1 GLU 17 53.199 -7.387 5.977 135 H ARG 18 HN ARG 18 54.575 -5.133 4.318 136 HA ARG 18 HA ARG 18 54.534 -4.066 7.053 137 HB2 ARG 18 HB2 ARG 18 55.370 -6.425 6.671 138 HB3 ARG 18 HB1 ARG 18 56.660 -5.725 5.722 139 HG2 ARG 18 HG2 ARG 18 57.614 -4.699 7.634 140 HG3 ARG 18 HG1 ARG 18 56.207 -5.128 8.630 141 HD2 ARG 18 HD2 ARG 18 56.650 -7.469 8.320 142 HD3 ARG 18 HD1 ARG 18 58.007 -7.133 7.255 143 HE ARG 18 HE ARG 18 58.689 -5.905 9.542 144 HH11 ARG 18 HH11 ARG 18 57.512 -9.208 8.909 145 HH12 ARG 18 HH12 ARG 18 58.435 -9.935 10.126 146 HH21 ARG 18 HH21 ARG 18 60.001 -6.949 11.244 147 HH22 ARG 18 HH22 ARG 18 59.878 -8.625 11.467 148 H ILE 19 HN ILE 19 54.661 -3.100 4.067 149 HA ILE 19 HA ILE 19 57.155 -1.904 3.545 150 HB ILE 19 HB ILE 19 54.388 -1.228 2.492 151 HG12 ILE 19 HG12 ILE 19 55.283 -3.407 1.884 152 HG13 ILE 19 HG11 ILE 19 55.095 -2.373 0.470 153 HG21 ILE 19 HG21 ILE 19 55.757 0.783 2.331 154 HG22 ILE 19 HG22 ILE 19 55.386 0.105 0.746 155 HG23 ILE 19 HG23 ILE 19 56.982 -0.144 1.458 156 HD11 ILE 19 HD11 ILE 19 57.528 -1.935 0.533 157 HD12 ILE 19 HD12 ILE 19 57.147 -3.643 0.331 158 HD13 ILE 19 HD13 ILE 19 57.671 -3.040 1.899 159 H SER 20 HN SER 20 54.282 -0.662 5.148 160 HA SER 20 HA SER 20 55.158 2.016 5.318 161 HB2 SER 20 HB2 SER 20 52.774 1.273 5.583 162 HB3 SER 20 HB1 SER 20 53.198 0.554 7.133 163 HG SER 20 HG SER 20 53.372 2.492 8.014 164 H ASP 21 HN ASP 21 55.565 -0.745 7.454 165 HA ASP 21 HA ASP 21 56.865 0.802 9.484 166 HB2 ASP 21 HB2 ASP 21 56.649 -2.175 9.079 167 HB3 ASP 21 HB1 ASP 21 57.584 -1.470 10.387 168 H ILE 22 HN ILE 22 57.997 -1.339 6.946 169 HA ILE 22 HA ILE 22 60.743 -1.159 7.625 170 HB ILE 22 HB ILE 22 59.466 -1.838 4.955 171 HG12 ILE 22 HG12 ILE 22 60.596 -3.654 7.078 172 HG13 ILE 22 HG11 ILE 22 58.889 -3.255 6.939 173 HG21 ILE 22 HG21 ILE 22 61.810 -1.181 4.650 174 HG22 ILE 22 HG22 ILE 22 61.613 -2.920 4.414 175 HG23 ILE 22 HG23 ILE 22 62.298 -2.307 5.916 176 HD11 ILE 22 HD11 ILE 22 60.573 -4.688 4.908 177 HD12 ILE 22 HD12 ILE 22 58.877 -4.232 4.693 178 HD13 ILE 22 HD13 ILE 22 59.324 -5.393 5.938 179 H SER 23 HN SER 23 58.762 0.811 5.430 180 HA SER 23 HA SER 23 60.912 2.290 4.376 181 HB2 SER 23 HB2 SER 23 59.094 3.981 3.803 182 HB3 SER 23 HB1 SER 23 58.828 2.323 3.249 183 HG SER 23 HG SER 23 57.303 2.057 4.671 184 H THR 24 HN THR 24 59.263 2.507 7.373 185 HA THR 24 HA THR 24 60.076 5.204 7.994 186 HB THR 24 HB THR 24 59.033 3.007 9.815 187 HG1 THR 24 HG1 THR 24 57.411 3.426 8.355 188 HG21 THR 24 HG21 THR 24 59.146 6.014 10.177 189 HG22 THR 24 HG22 THR 24 60.129 4.819 11.029 190 HG23 THR 24 HG23 THR 24 58.388 4.873 11.291 191 H GLN 25 HN GLN 25 61.062 1.940 8.585 192 HA GLN 25 HA GLN 25 63.160 2.418 10.355 193 HB2 GLN 25 HB2 GLN 25 62.074 0.289 8.688 194 HB3 GLN 25 HB1 GLN 25 63.659 -0.020 9.314 195 HG2 GLN 25 HG2 GLN 25 62.739 0.312 11.603 196 HG3 GLN 25 HG1 GLN 25 61.166 0.653 10.891 197 HE21 GLN 25 HE21 GLN 25 60.015 -0.995 10.018 198 HE22 GLN 25 HE22 GLN 25 60.369 -2.668 10.316 199 H LEU 26 HN LEU 26 62.991 2.033 6.768 200 HA LEU 26 HA LEU 26 65.729 2.121 6.324 201 HB2 LEU 26 HB2 LEU 26 63.529 3.044 4.465 202 HB3 LEU 26 HB1 LEU 26 65.156 2.607 4.097 203 HG LEU 26 HG LEU 26 63.046 0.704 5.095 204 HD11 LEU 26 HD11 LEU 26 64.301 0.955 2.376 205 HD12 LEU 26 HD12 LEU 26 62.666 1.443 2.819 206 HD13 LEU 26 HD13 LEU 26 63.127 -0.265 2.879 207 HD21 LEU 26 HD21 LEU 26 65.261 0.024 5.860 208 HD22 LEU 26 HD22 LEU 26 65.868 0.181 4.211 209 HD23 LEU 26 HD23 LEU 26 64.679 -1.061 4.592 210 H ASN 27 HN ASN 27 63.326 4.583 6.770 211 HA ASN 27 HA ASN 27 65.038 6.753 5.975 212 HB2 ASN 27 HB2 ASN 27 62.310 6.519 7.107 213 HB3 ASN 27 HB1 ASN 27 63.128 8.094 7.161 214 HD21 ASN 27 HD21 ASN 27 60.703 7.247 5.728 215 HD22 ASN 27 HD22 ASN 27 61.023 7.555 4.068 216 H ALA 28 HN ALA 28 64.982 4.846 8.662 217 HA ALA 28 HA ALA 28 65.556 6.973 10.552 218 HB1 ALA 28 HB1 ALA 28 65.398 3.998 10.986 219 HB2 ALA 28 HB2 ALA 28 64.075 5.136 11.229 220 HB3 ALA 28 HB3 ALA 28 65.521 5.230 12.239 221 H PHE 29 HN PHE 29 67.392 5.425 8.254 222 HA PHE 29 HA PHE 29 69.681 5.170 9.925 223 HB2 PHE 29 HB2 PHE 29 69.202 4.631 7.006 224 HB3 PHE 29 HB1 PHE 29 70.680 4.316 7.883 225 HD1 PHE 29 HD2 PHE 29 70.099 2.893 10.163 226 HD2 PHE 29 HD1 PHE 29 67.968 2.804 6.494 227 HE1 PHE 29 HE2 PHE 29 69.227 0.664 10.722 228 HE2 PHE 29 HE1 PHE 29 67.090 0.580 7.051 229 HZ PHE 29 HZ PHE 29 67.720 -0.487 9.160 230 HA PRO 30 HA PRO 30 71.047 9.263 8.803 231 HB2 PRO 30 HB2 PRO 30 73.820 8.262 8.773 232 HB3 PRO 30 HB1 PRO 30 73.081 9.467 9.828 233 HG2 PRO 30 HG2 PRO 30 73.743 7.036 10.725 234 HG3 PRO 30 HG1 PRO 30 72.295 7.879 11.312 235 HD2 PRO 30 HD2 PRO 30 72.500 5.666 9.293 236 HD3 PRO 30 HD1 PRO 30 71.328 5.909 10.610 237 H GLY 31 HN GLY 31 70.888 10.081 6.790 238 HA2 GLY 31 HA2 GLY 31 71.684 10.678 4.675 239 HA3 GLY 31 HA1 GLY 31 72.866 9.386 4.786 240 H CYS 32 HN CYS 32 70.177 7.920 5.605 241 HA CYS 32 HA CYS 32 69.785 6.888 2.918 242 HB2 CYS 32 HB2 CYS 32 70.455 5.333 4.660 243 HB3 CYS 32 HB1 CYS 32 69.076 5.864 5.634 244 HG CYS 32 HG CYS 32 67.397 4.262 4.725 245 H GLU 33 HN GLU 33 67.964 7.423 1.879 246 HA GLU 33 HA GLU 33 65.643 8.197 3.462 247 HB2 GLU 33 HB2 GLU 33 66.999 10.205 2.849 248 HB3 GLU 33 HB1 GLU 33 66.693 9.817 1.159 249 HG2 GLU 33 HG2 GLU 33 64.277 9.989 1.615 250 HG3 GLU 33 HG1 GLU 33 64.667 10.493 3.250 251 H VAL 34 HN VAL 34 63.877 7.315 2.685 252 HA VAL 34 HA VAL 34 63.847 5.791 0.270 253 HB VAL 34 HB VAL 34 61.479 6.667 1.953 254 HG11 VAL 34 HG11 VAL 34 60.374 4.682 1.045 255 HG12 VAL 34 HG12 VAL 34 61.795 4.346 0.050 256 HG13 VAL 34 HG13 VAL 34 60.844 5.804 -0.232 257 HG21 VAL 34 HG21 VAL 34 63.138 5.538 3.311 258 HG22 VAL 34 HG22 VAL 34 63.102 4.138 2.225 259 HG23 VAL 34 HG23 VAL 34 61.669 4.581 3.157 260 H ALA 35 HN ALA 35 63.204 6.424 -1.667 261 HA ALA 35 HA ALA 35 62.448 9.232 -2.010 262 HB1 ALA 35 HB1 ALA 35 63.195 8.939 -4.335 263 HB2 ALA 35 HB2 ALA 35 63.563 7.249 -3.994 264 HB3 ALA 35 HB3 ALA 35 64.463 8.529 -3.181 265 H VAL 36 HN VAL 36 61.664 5.985 -3.214 266 HA VAL 36 HA VAL 36 58.937 6.928 -3.768 267 HB VAL 36 HB VAL 36 60.447 4.888 -5.448 268 HG11 VAL 36 HG11 VAL 36 58.059 4.492 -5.380 269 HG12 VAL 36 HG12 VAL 36 58.565 5.028 -6.983 270 HG13 VAL 36 HG13 VAL 36 57.754 6.153 -5.890 271 HG21 VAL 36 HG21 VAL 36 61.374 7.113 -5.860 272 HG22 VAL 36 HG22 VAL 36 59.749 7.738 -6.154 273 HG23 VAL 36 HG23 VAL 36 60.447 6.552 -7.254 274 H SER 37 HN SER 37 57.352 5.553 -3.013 275 HA SER 37 HA SER 37 58.271 3.022 -1.876 276 HB2 SER 37 HB2 SER 37 56.049 4.745 -0.775 277 HB3 SER 37 HB1 SER 37 56.820 3.337 -0.025 278 HG SER 37 HG SER 37 58.149 5.735 -0.669 279 H ASP 38 HN ASP 38 57.340 1.381 -2.977 280 HA ASP 38 HA ASP 38 54.646 1.841 -4.033 281 HB2 ASP 38 HB2 ASP 38 56.684 -0.126 -5.083 282 HB3 ASP 38 HB1 ASP 38 55.040 -0.076 -5.589 283 H ALA 39 HN ALA 39 53.606 1.262 -2.252 284 HA ALA 39 HA ALA 39 53.866 -1.136 -0.879 285 HB1 ALA 39 HB1 ALA 39 51.316 0.361 -1.489 286 HB2 ALA 39 HB2 ALA 39 52.405 0.676 -0.133 287 HB3 ALA 39 HB3 ALA 39 51.528 -0.850 -0.225 288 HA PRO 40 HA PRO 40 50.751 -3.045 -4.375 289 HB2 PRO 40 HB2 PRO 40 51.479 -2.108 -6.859 290 HB3 PRO 40 HB1 PRO 40 50.121 -1.455 -5.931 291 HG2 PRO 40 HG2 PRO 40 52.974 -0.533 -5.957 292 HG3 PRO 40 HG1 PRO 40 51.583 0.480 -6.291 293 HD2 PRO 40 HD2 PRO 40 52.521 0.588 -3.928 294 HD3 PRO 40 HD1 PRO 40 50.792 0.175 -4.017 295 H SER 41 HN SER 41 54.021 -1.976 -5.321 296 HA SER 41 HA SER 41 54.620 -4.492 -6.585 297 HB2 SER 41 HB2 SER 41 56.455 -2.174 -5.979 298 HB3 SER 41 HB1 SER 41 56.734 -3.476 -7.136 299 HG SER 41 HG SER 41 56.003 -1.903 -8.346 300 H GLY 42 HN GLY 42 55.068 -3.041 -3.437 301 HA2 GLY 42 HA2 GLY 42 55.998 -3.954 -1.538 302 HA3 GLY 42 HA1 GLY 42 56.463 -5.380 -2.473 303 H GLN 43 HN GLN 43 57.171 -2.142 -3.525 304 HA GLN 43 HA GLN 43 60.044 -2.747 -3.428 305 HB2 GLN 43 HB2 GLN 43 58.727 -2.567 -5.647 306 HB3 GLN 43 HB1 GLN 43 58.590 -0.881 -5.232 307 HG2 GLN 43 HG2 GLN 43 61.024 -0.665 -5.194 308 HG3 GLN 43 HG1 GLN 43 61.156 -2.358 -5.667 309 HE21 GLN 43 HE21 GLN 43 58.733 -0.027 -6.896 310 HE22 GLN 43 HE22 GLN 43 59.331 -0.099 -8.490 311 H LEU 44 HN LEU 44 61.214 -1.356 -2.291 312 HA LEU 44 HA LEU 44 60.189 1.345 -1.842 313 HB2 LEU 44 HB2 LEU 44 61.744 -0.476 -0.016 314 HB3 LEU 44 HB1 LEU 44 61.638 1.256 0.252 315 HG LEU 44 HG LEU 44 59.191 -0.490 0.075 316 HD11 LEU 44 HD11 LEU 44 60.626 -1.292 1.890 317 HD12 LEU 44 HD12 LEU 44 59.174 -0.505 2.507 318 HD13 LEU 44 HD13 LEU 44 60.724 0.349 2.537 319 HD21 LEU 44 HD21 LEU 44 58.207 1.413 1.314 320 HD22 LEU 44 HD22 LEU 44 58.819 1.861 -0.270 321 HD23 LEU 44 HD23 LEU 44 59.747 2.256 1.173 322 H ILE 45 HN ILE 45 61.310 2.753 -2.912 323 HA ILE 45 HA ILE 45 63.993 2.102 -3.870 324 HB ILE 45 HB ILE 45 62.152 4.430 -4.471 325 HG12 ILE 45 HG12 ILE 45 61.289 2.311 -5.384 326 HG13 ILE 45 HG11 ILE 45 61.795 3.390 -6.681 327 HG21 ILE 45 HG21 ILE 45 64.449 5.122 -4.742 328 HG22 ILE 45 HG22 ILE 45 63.676 4.983 -6.318 329 HG23 ILE 45 HG23 ILE 45 64.777 3.724 -5.766 330 HD11 ILE 45 HD11 ILE 45 63.290 1.014 -5.606 331 HD12 ILE 45 HD12 ILE 45 63.875 2.092 -6.872 332 HD13 ILE 45 HD13 ILE 45 62.430 1.113 -7.142 333 H VAL 46 HN VAL 46 65.629 2.763 -2.693 334 HA VAL 46 HA VAL 46 65.282 5.121 -0.971 335 HB VAL 46 HB VAL 46 67.049 2.685 -0.490 336 HG11 VAL 46 HG11 VAL 46 67.646 3.740 1.643 337 HG12 VAL 46 HG12 VAL 46 66.726 5.173 1.189 338 HG13 VAL 46 HG13 VAL 46 68.159 4.721 0.271 339 HG21 VAL 46 HG21 VAL 46 64.635 3.709 1.009 340 HG22 VAL 46 HG22 VAL 46 65.646 2.375 1.522 341 HG23 VAL 46 HG23 VAL 46 64.709 2.245 0.029 342 H VAL 47 HN VAL 47 66.717 6.741 -1.193 343 HA VAL 47 HA VAL 47 68.960 6.285 -3.022 344 HB VAL 47 HB VAL 47 67.287 8.822 -2.772 345 HG11 VAL 47 HG11 VAL 47 69.671 8.246 -4.541 346 HG12 VAL 47 HG12 VAL 47 69.647 9.347 -3.162 347 HG13 VAL 47 HG13 VAL 47 68.683 9.706 -4.592 348 HG21 VAL 47 HG21 VAL 47 67.590 6.904 -5.088 349 HG22 VAL 47 HG22 VAL 47 66.656 8.399 -5.110 350 HG23 VAL 47 HG23 VAL 47 66.168 7.064 -4.064 351 H VAL 48 HN VAL 48 70.815 6.637 -2.157 352 HA VAL 48 HA VAL 48 70.987 8.180 0.345 353 HB VAL 48 HB VAL 48 72.748 5.849 -0.479 354 HG11 VAL 48 HG11 VAL 48 72.466 7.214 2.190 355 HG12 VAL 48 HG12 VAL 48 73.821 7.373 1.078 356 HG13 VAL 48 HG13 VAL 48 73.495 5.822 1.849 357 HG21 VAL 48 HG21 VAL 48 70.533 4.958 -0.133 358 HG22 VAL 48 HG22 VAL 48 70.394 5.793 1.405 359 HG23 VAL 48 HG23 VAL 48 71.560 4.484 1.220 360 H GLU 49 HN GLU 49 72.672 9.683 0.385 361 HA GLU 49 HA GLU 49 74.279 9.897 -2.066 362 HB2 GLU 49 HB2 GLU 49 74.212 11.974 0.129 363 HB3 GLU 49 HB1 GLU 49 74.718 12.189 -1.528 364 HG2 GLU 49 HG2 GLU 49 72.735 13.348 -1.458 365 HG3 GLU 49 HG1 GLU 49 72.193 11.787 -2.068 366 H ALA 50 HN ALA 50 76.310 9.207 -1.899 367 HA ALA 50 HA ALA 50 77.634 9.340 0.709 368 HB1 ALA 50 HB1 ALA 50 78.617 7.120 0.326 369 HB2 ALA 50 HB2 ALA 50 77.646 6.959 -1.141 370 HB3 ALA 50 HB3 ALA 50 76.856 7.042 0.434 371 H GLU 51 HN GLU 51 79.988 9.200 0.465 372 HA GLU 51 HA GLU 51 80.792 10.465 -2.051 373 HB2 GLU 51 HB2 GLU 51 81.112 11.714 0.059 374 HB3 GLU 51 HB1 GLU 51 82.098 10.395 0.652 375 HG2 GLU 51 HG2 GLU 51 83.830 10.877 -0.843 376 HG3 GLU 51 HG1 GLU 51 82.818 11.994 -1.771 377 H ASP 52 HN ASP 52 81.684 8.029 0.316 378 HA ASP 52 HA ASP 52 83.596 6.872 -1.553 379 HB2 ASP 52 HB2 ASP 52 83.085 6.211 1.352 380 HB3 ASP 52 HB1 ASP 52 84.345 5.519 0.351 381 H SER 53 HN SER 53 83.426 4.678 -2.096 382 HA SER 53 HA SER 53 80.754 3.786 -2.426 383 HB2 SER 53 HB2 SER 53 82.572 3.448 -4.099 384 HB3 SER 53 HB1 SER 53 83.342 2.321 -2.989 385 HG SER 53 HG SER 53 81.838 1.614 -4.761 386 H GLU 54 HN GLU 54 83.465 2.814 -0.336 387 HA GLU 54 HA GLU 54 82.089 0.496 0.570 388 HB2 GLU 54 HB2 GLU 54 84.533 0.590 0.486 389 HB3 GLU 54 HB1 GLU 54 84.514 1.861 1.696 390 HG2 GLU 54 HG2 GLU 54 83.716 0.378 3.367 391 HG3 GLU 54 HG1 GLU 54 83.437 -0.897 2.183 392 H THR 55 HN THR 55 82.486 3.773 1.806 393 HA THR 55 HA THR 55 81.274 3.501 4.289 394 HB THR 55 HB THR 55 81.063 5.800 2.327 395 HG1 THR 55 HG1 THR 55 82.941 6.117 4.213 396 HG21 THR 55 HG21 THR 55 79.580 6.016 4.283 397 HG22 THR 55 HG22 THR 55 80.892 7.197 4.338 398 HG23 THR 55 HG23 THR 55 80.964 5.744 5.341 399 H LEU 56 HN LEU 56 79.951 3.902 1.055 400 HA LEU 56 HA LEU 56 77.242 4.158 1.697 401 HB2 LEU 56 HB2 LEU 56 78.161 4.697 -0.489 402 HB3 LEU 56 HB1 LEU 56 78.618 3.027 -0.735 403 HG LEU 56 HG LEU 56 76.226 2.418 -0.760 404 HD11 LEU 56 HD11 LEU 56 75.330 4.243 0.561 405 HD12 LEU 56 HD12 LEU 56 74.553 4.188 -1.024 406 HD13 LEU 56 HD13 LEU 56 75.791 5.397 -0.690 407 HD21 LEU 56 HD21 LEU 56 77.085 4.505 -2.756 408 HD22 LEU 56 HD22 LEU 56 75.779 3.344 -2.983 409 HD23 LEU 56 HD23 LEU 56 77.442 2.780 -2.825 410 H ILE 57 HN ILE 57 79.192 1.330 0.781 411 HA ILE 57 HA ILE 57 77.253 -0.649 0.927 412 HB ILE 57 HB ILE 57 80.216 -0.901 1.568 413 HG12 ILE 57 HG12 ILE 57 78.701 -1.420 -1.007 414 HG13 ILE 57 HG11 ILE 57 79.706 -0.014 -0.689 415 HG21 ILE 57 HG21 ILE 57 78.214 -3.064 0.881 416 HG22 ILE 57 HG22 ILE 57 78.980 -2.818 2.448 417 HG23 ILE 57 HG23 ILE 57 79.955 -3.295 1.058 418 HD11 ILE 57 HD11 ILE 57 81.670 -1.457 -0.514 419 HD12 ILE 57 HD12 ILE 57 80.863 -1.635 -2.071 420 HD13 ILE 57 HD13 ILE 57 80.660 -2.867 -0.827 421 H GLN 58 HN GLN 58 79.355 0.547 3.521 422 HA GLN 58 HA GLN 58 78.482 -1.216 5.528 423 HB2 GLN 58 HB2 GLN 58 79.570 1.582 5.759 424 HB3 GLN 58 HB1 GLN 58 79.304 0.517 7.124 425 HG2 GLN 58 HG2 GLN 58 80.888 -1.092 6.160 426 HG3 GLN 58 HG1 GLN 58 81.179 0.021 4.821 427 HE21 GLN 58 HE21 GLN 58 80.706 1.014 8.153 428 HE22 GLN 58 HE22 GLN 58 82.307 1.602 8.376 429 H THR 59 HN THR 59 77.181 1.878 4.497 430 HA THR 59 HA THR 59 75.245 2.044 6.564 431 HB THR 59 HB THR 59 75.237 3.320 3.821 432 HG1 THR 59 HG1 THR 59 77.083 4.089 4.739 433 HG21 THR 59 HG21 THR 59 73.923 4.153 6.433 434 HG22 THR 59 HG22 THR 59 73.081 3.498 5.031 435 HG23 THR 59 HG23 THR 59 73.870 5.074 4.927 436 H ILE 60 HN ILE 60 75.237 0.846 3.246 437 HA ILE 60 HA ILE 60 72.535 0.112 3.070 438 HB ILE 60 HB ILE 60 74.964 -1.024 1.662 439 HG12 ILE 60 HG12 ILE 60 72.907 0.990 0.742 440 HG13 ILE 60 HG11 ILE 60 74.535 1.374 1.282 441 HG21 ILE 60 HG21 ILE 60 73.104 -2.639 1.547 442 HG22 ILE 60 HG22 ILE 60 73.392 -1.912 -0.034 443 HG23 ILE 60 HG23 ILE 60 72.035 -1.367 0.952 444 HD11 ILE 60 HD11 ILE 60 73.813 -0.267 -1.139 445 HD12 ILE 60 HD12 ILE 60 75.450 0.142 -0.621 446 HD13 ILE 60 HD13 ILE 60 74.342 1.411 -1.144 447 H GLU 61 HN GLU 61 75.324 -1.546 4.413 448 HA GLU 61 HA GLU 61 74.343 -4.093 4.836 449 HB2 GLU 61 HB2 GLU 61 76.635 -3.480 5.388 450 HB3 GLU 61 HB1 GLU 61 76.065 -2.432 6.681 451 HG2 GLU 61 HG2 GLU 61 75.128 -4.416 7.820 452 HG3 GLU 61 HG1 GLU 61 75.834 -5.426 6.564 453 H SER 62 HN SER 62 73.963 -1.245 6.917 454 HA SER 62 HA SER 62 72.431 -2.542 8.897 455 HB2 SER 62 HB2 SER 62 73.627 -0.346 9.198 456 HB3 SER 62 HB1 SER 62 72.392 0.408 8.198 457 HG SER 62 HG SER 62 72.333 -0.002 10.770 458 H VAL 63 HN VAL 63 71.596 -0.883 5.935 459 HA VAL 63 HA VAL 63 68.799 -0.806 6.173 460 HB VAL 63 HB VAL 63 70.530 -1.073 3.681 461 HG11 VAL 63 HG11 VAL 63 68.663 -0.207 2.405 462 HG12 VAL 63 HG12 VAL 63 67.696 -0.117 3.867 463 HG13 VAL 63 HG13 VAL 63 68.179 -1.694 3.231 464 HG21 VAL 63 HG21 VAL 63 69.345 1.365 4.995 465 HG22 VAL 63 HG22 VAL 63 70.246 1.351 3.477 466 HG23 VAL 63 HG23 VAL 63 71.048 0.907 4.986 467 H ARG 64 HN ARG 64 71.020 -3.284 5.086 468 HA ARG 64 HA ARG 64 68.989 -5.126 4.216 469 HB2 ARG 64 HB2 ARG 64 71.928 -5.606 4.744 470 HB3 ARG 64 HB1 ARG 64 70.843 -6.723 3.927 471 HG2 ARG 64 HG2 ARG 64 70.513 -5.069 2.141 472 HG3 ARG 64 HG1 ARG 64 71.624 -3.979 2.967 473 HD2 ARG 64 HD2 ARG 64 72.280 -6.696 1.825 474 HD3 ARG 64 HD1 ARG 64 72.750 -5.137 1.154 475 HE ARG 64 HE ARG 64 73.658 -5.998 3.809 476 HH11 ARG 64 HH11 ARG 64 74.448 -4.828 0.554 477 HH12 ARG 64 HH12 ARG 64 76.124 -4.840 0.759 478 HH21 ARG 64 HH21 ARG 64 76.007 -6.027 4.137 479 HH22 ARG 64 HH22 ARG 64 77.042 -5.525 2.900 480 H ASN 65 HN ASN 65 70.296 -4.298 7.229 481 HA ASN 65 HA ASN 65 70.019 -6.837 8.546 482 HB2 ASN 65 HB2 ASN 65 70.463 -4.042 9.507 483 HB3 ASN 65 HB1 ASN 65 69.960 -5.270 10.648 484 HD21 ASN 65 HD21 ASN 65 72.132 -5.936 7.952 485 HD22 ASN 65 HD22 ASN 65 73.526 -6.178 8.938 486 H VAL 66 HN VAL 66 67.810 -4.464 7.560 487 HA VAL 66 HA VAL 66 65.882 -4.791 9.665 488 HB VAL 66 HB VAL 66 65.410 -3.757 6.866 489 HG11 VAL 66 HG11 VAL 66 63.415 -4.522 8.056 490 HG12 VAL 66 HG12 VAL 66 63.378 -2.762 7.850 491 HG13 VAL 66 HG13 VAL 66 63.813 -3.480 9.411 492 HG21 VAL 66 HG21 VAL 66 65.998 -2.246 9.413 493 HG22 VAL 66 HG22 VAL 66 65.585 -1.519 7.859 494 HG23 VAL 66 HG23 VAL 66 67.091 -2.421 8.043 495 H GLU 67 HN GLU 67 64.772 -6.391 10.123 496 HA GLU 67 HA GLU 67 64.366 -8.419 8.273 497 HB2 GLU 67 HB2 GLU 67 63.285 -7.913 11.003 498 HB3 GLU 67 HB1 GLU 67 62.990 -9.360 10.042 499 HG2 GLU 67 HG2 GLU 67 65.430 -9.576 9.808 500 HG3 GLU 67 HG1 GLU 67 65.585 -8.302 11.015 501 H GLY 68 HN GLY 68 63.124 -8.370 6.843 502 HA2 GLY 68 HA2 GLY 68 60.569 -8.275 6.466 503 HA3 GLY 68 HA1 GLY 68 60.860 -6.554 6.761 504 H VAL 69 HN VAL 69 63.634 -7.101 5.629 505 HA VAL 69 HA VAL 69 62.926 -6.364 2.933 506 HB VAL 69 HB VAL 69 65.704 -6.665 4.167 507 HG11 VAL 69 HG11 VAL 69 65.836 -6.925 1.812 508 HG12 VAL 69 HG12 VAL 69 66.444 -5.328 2.271 509 HG13 VAL 69 HG13 VAL 69 64.833 -5.497 1.567 510 HG21 VAL 69 HG21 VAL 69 64.055 -4.190 3.655 511 HG22 VAL 69 HG22 VAL 69 65.701 -4.228 4.280 512 HG23 VAL 69 HG23 VAL 69 64.373 -4.897 5.238 513 H LEU 70 HN LEU 70 63.175 -7.556 1.158 514 HA LEU 70 HA LEU 70 63.604 -10.424 1.547 515 HB2 LEU 70 HB2 LEU 70 62.420 -8.881 -0.767 516 HB3 LEU 70 HB1 LEU 70 62.555 -10.622 -0.683 517 HG LEU 70 HG LEU 70 60.844 -8.912 1.130 518 HD11 LEU 70 HD11 LEU 70 58.966 -9.884 -0.078 519 HD12 LEU 70 HD12 LEU 70 60.087 -10.724 -1.150 520 HD13 LEU 70 HD13 LEU 70 60.011 -8.961 -1.158 521 HD21 LEU 70 HD21 LEU 70 61.111 -11.901 0.868 522 HD22 LEU 70 HD22 LEU 70 59.895 -11.066 1.831 523 HD23 LEU 70 HD23 LEU 70 61.602 -10.912 2.245 524 H ALA 71 HN ALA 71 64.514 -7.645 -0.432 525 HA ALA 71 HA ALA 71 67.151 -8.650 -0.826 526 HB1 ALA 71 HB1 ALA 71 65.289 -8.481 -3.178 527 HB2 ALA 71 HB2 ALA 71 65.972 -9.966 -2.507 528 HB3 ALA 71 HB3 ALA 71 67.029 -8.753 -3.251 529 H VAL 72 HN VAL 72 68.411 -6.988 -1.115 530 HA VAL 72 HA VAL 72 67.233 -4.429 -1.964 531 HB VAL 72 HB VAL 72 69.887 -4.865 -0.534 532 HG11 VAL 72 HG11 VAL 72 68.438 -2.303 -1.187 533 HG12 VAL 72 HG12 VAL 72 69.923 -2.892 -1.937 534 HG13 VAL 72 HG13 VAL 72 69.919 -2.438 -0.237 535 HG21 VAL 72 HG21 VAL 72 67.271 -3.833 0.560 536 HG22 VAL 72 HG22 VAL 72 68.803 -3.820 1.424 537 HG23 VAL 72 HG23 VAL 72 68.056 -5.353 0.985 538 H SER 73 HN SER 73 67.474 -4.236 -4.085 539 HA SER 73 HA SER 73 69.877 -5.264 -5.359 540 HB2 SER 73 HB2 SER 73 67.390 -3.987 -6.513 541 HB3 SER 73 HB1 SER 73 68.704 -4.677 -7.471 542 HG SER 73 HG SER 73 67.865 -6.438 -5.635 543 H LEU 74 HN LEU 74 71.566 -3.983 -5.386 544 HA LEU 74 HA LEU 74 71.320 -1.185 -4.837 545 HB2 LEU 74 HB2 LEU 74 73.203 -2.935 -4.193 546 HB3 LEU 74 HB1 LEU 74 73.853 -2.498 -5.755 547 HG LEU 74 HG LEU 74 73.428 -0.631 -3.416 548 HD11 LEU 74 HD11 LEU 74 75.849 -0.494 -3.350 549 HD12 LEU 74 HD12 LEU 74 75.954 -1.704 -4.629 550 HD13 LEU 74 HD13 LEU 74 75.271 -2.135 -3.057 551 HD21 LEU 74 HD21 LEU 74 74.609 1.059 -4.725 552 HD22 LEU 74 HD22 LEU 74 73.130 0.554 -5.543 553 HD23 LEU 74 HD23 LEU 74 74.693 -0.051 -6.091 554 H VAL 75 HN VAL 75 70.622 0.105 -6.398 555 HA VAL 75 HA VAL 75 71.340 -0.487 -9.125 556 HB VAL 75 HB VAL 75 69.281 1.420 -8.008 557 HG11 VAL 75 HG11 VAL 75 70.154 2.247 -10.166 558 HG12 VAL 75 HG12 VAL 75 68.512 1.630 -10.370 559 HG13 VAL 75 HG13 VAL 75 69.887 0.659 -10.885 560 HG21 VAL 75 HG21 VAL 75 67.655 -0.157 -8.976 561 HG22 VAL 75 HG22 VAL 75 68.658 -0.893 -7.723 562 HG23 VAL 75 HG23 VAL 75 68.990 -1.219 -9.424 563 H TYR 76 HN TYR 76 73.319 0.081 -8.987 564 HA TYR 76 HA TYR 76 73.872 2.948 -9.276 565 HB2 TYR 76 HB2 TYR 76 74.877 2.022 -7.155 566 HB3 TYR 76 HB1 TYR 76 75.710 0.820 -8.115 567 HD1 TYR 76 HD2 TYR 76 75.527 4.407 -7.297 568 HD2 TYR 76 HD1 TYR 76 77.777 1.339 -9.192 569 HE1 TYR 76 HE2 TYR 76 77.462 5.910 -7.418 570 HE2 TYR 76 HE1 TYR 76 79.724 2.834 -9.311 571 HH TYR 76 HH TYR 76 79.943 5.655 -7.525 572 H HIS 77 HN HIS 77 74.912 -0.395 -9.783 573 HA HIS 77 HA HIS 77 75.292 -1.630 -11.586 574 HB2 HIS 77 HB2 HIS 77 74.027 0.692 -13.085 575 HB3 HIS 77 HB1 HIS 77 74.526 -0.795 -13.865 576 HD1 HIS 77 HD1 HIS 77 71.972 -1.106 -14.571 577 HD2 HIS 77 HD2 HIS 77 72.730 -1.246 -10.482 578 HE1 HIS 77 HE1 HIS 77 69.910 -2.053 -13.510 579 H GLN 78 HN GLN 78 76.254 -1.116 -14.043 580 HA GLN 78 HA GLN 78 78.801 0.064 -13.388 581 HB2 GLN 78 HB2 GLN 78 77.998 -1.873 -15.566 582 HB3 GLN 78 HB1 GLN 78 79.622 -1.204 -15.401 583 HG2 GLN 78 HG2 GLN 78 79.819 -2.175 -13.173 584 HG3 GLN 78 HG1 GLN 78 78.192 -2.818 -13.298 585 HE21 GLN 78 HE21 GLN 78 78.586 -3.656 -16.114 586 HE22 GLN 78 HE22 GLN 78 79.579 -5.042 -16.010 587 H GLN 79 HN GLN 79 79.854 1.201 -15.244 588 HA GLN 79 HA GLN 79 78.296 3.492 -15.798 589 HB2 GLN 79 HB2 GLN 79 80.289 4.309 -16.974 590 HB3 GLN 79 HB1 GLN 79 80.647 3.670 -15.380 591 HG2 GLN 79 HG2 GLN 79 81.428 1.574 -16.402 592 HG3 GLN 79 HG1 GLN 79 81.086 2.235 -17.993 593 HE21 GLN 79 HE21 GLN 79 83.229 2.027 -18.604 594 HE22 GLN 79 HE22 GLN 79 84.448 3.101 -18.018 595 H GLU 80 HN GLU 80 78.028 0.698 -17.378 596 HA GLU 80 HA GLU 80 77.808 1.851 -20.059 597 HB2 GLU 80 HB2 GLU 80 77.856 -1.020 -19.139 598 HB3 GLU 80 HB1 GLU 80 77.793 -0.478 -20.808 599 HG2 GLU 80 HG2 GLU 80 80.061 0.109 -18.908 600 HG3 GLU 80 HG1 GLU 80 80.051 -1.184 -20.106 601 H GLU 81 HN GLU 81 75.852 2.261 -20.787 602 HA GLU 81 HA GLU 81 73.493 2.014 -19.370 603 HB2 GLU 81 HB2 GLU 81 73.687 2.112 -22.395 604 HB3 GLU 81 HB1 GLU 81 72.323 2.598 -21.409 605 HG2 GLU 81 HG2 GLU 81 73.266 4.616 -22.059 606 HG3 GLU 81 HG1 GLU 81 73.908 4.377 -20.438 607 H GLN 82 HN GLN 82 74.397 0.154 -22.199 608 HA GLN 82 HA GLN 82 72.474 -1.958 -21.578 609 HB2 GLN 82 HB2 GLN 82 74.504 -1.785 -23.827 610 HB3 GLN 82 HB1 GLN 82 73.219 -2.965 -23.706 611 HG2 GLN 82 HG2 GLN 82 71.558 -1.149 -23.949 612 HG3 GLN 82 HG1 GLN 82 72.878 0.003 -24.117 613 HE21 GLN 82 HE21 GLN 82 74.498 -1.879 -25.713 614 HE22 GLN 82 HE22 GLN 82 73.776 -1.937 -27.264 615 H GLY 83 HN GLY 83 74.221 -1.733 -19.587 616 HA2 GLY 83 HA2 GLY 83 76.597 -3.311 -19.906 617 HA3 GLY 83 HA1 GLY 83 75.987 -2.622 -18.404 618 H GLU 84 HN GLU 84 75.001 -5.023 -20.770 619 HA GLU 84 HA GLU 84 75.087 -7.134 -18.877 620 HB2 GLU 84 HB2 GLU 84 72.706 -7.812 -19.227 621 HB3 GLU 84 HB1 GLU 84 72.871 -6.338 -18.289 622 HG2 GLU 84 HG2 GLU 84 72.276 -5.011 -20.241 623 HG3 GLU 84 HG1 GLU 84 72.167 -6.475 -21.218 624 H GLU 85 HN GLU 85 75.234 -9.105 -19.933 625 HA GLU 85 HA GLU 85 76.099 -9.045 -22.603 626 HB2 GLU 85 HB2 GLU 85 75.196 -11.387 -20.908 627 HB3 GLU 85 HB1 GLU 85 75.990 -11.536 -22.464 628 HG2 GLU 85 HG2 GLU 85 77.183 -10.252 -20.015 629 HG3 GLU 85 HG1 GLU 85 77.527 -11.883 -20.582 630 H THR 86 HN THR 86 74.852 -8.640 -24.254 631 HA THR 86 HA THR 86 72.129 -9.645 -24.156 632 HB THR 86 HB THR 86 73.091 -7.079 -25.447 633 HG1 THR 86 HG1 THR 86 73.071 -6.861 -23.212 634 HG21 THR 86 HG21 THR 86 70.707 -6.638 -25.772 635 HG22 THR 86 HG22 THR 86 70.310 -8.180 -25.008 636 HG23 THR 86 HG23 THR 86 71.168 -8.158 -26.547 637 HA PRO 87 HA PRO 87 73.674 -11.622 -27.871 638 HB2 PRO 87 HB2 PRO 87 71.871 -13.579 -27.951 639 HB3 PRO 87 HB1 PRO 87 73.086 -13.520 -26.663 640 HG2 PRO 87 HG2 PRO 87 70.218 -12.665 -26.588 641 HG3 PRO 87 HG1 PRO 87 71.114 -13.634 -25.406 642 HD2 PRO 87 HD2 PRO 87 70.682 -10.937 -25.179 643 HD3 PRO 87 HD1 PRO 87 72.042 -11.800 -24.430 644 H ARG 88 HN ARG 88 71.885 -12.787 -29.628 645 HA ARG 88 HA ARG 88 71.062 -10.605 -31.215 646 HB2 ARG 88 HB2 ARG 88 70.200 -12.253 -32.775 647 HB3 ARG 88 HB1 ARG 88 71.755 -12.772 -32.147 648 HG2 ARG 88 HG2 ARG 88 70.477 -14.242 -30.542 649 HG3 ARG 88 HG1 ARG 88 69.026 -13.844 -31.466 650 HD2 ARG 88 HD2 ARG 88 69.965 -15.939 -32.251 651 HD3 ARG 88 HD1 ARG 88 70.125 -14.706 -33.508 652 HE ARG 88 HE ARG 88 72.401 -14.712 -31.897 653 HH11 ARG 88 HH11 ARG 88 70.916 -16.776 -34.366 654 HH12 ARG 88 HH12 ARG 88 72.389 -17.444 -34.876 655 HH21 ARG 88 HH21 ARG 88 74.400 -15.647 -32.581 656 HH22 ARG 88 HH22 ARG 88 74.418 -16.786 -33.831 657 H SER 89 HN SER 89 69.503 -12.000 -28.625 658 HA SER 89 HA SER 89 66.806 -11.589 -29.532 659 HB2 SER 89 HB2 SER 89 67.381 -13.421 -27.952 660 HB3 SER 89 HB1 SER 89 67.828 -12.219 -26.743 661 HG SER 89 HG SER 89 65.643 -11.424 -26.999 662 H HIS 90 HN HIS 90 68.912 -9.305 -29.179 663 HA HIS 90 HA HIS 90 67.595 -7.497 -27.351 664 HB2 HIS 90 HB2 HIS 90 70.061 -7.327 -27.992 665 HB3 HIS 90 HB1 HIS 90 69.546 -6.798 -29.585 666 HD1 HIS 90 HD1 HIS 90 70.134 -4.298 -29.657 667 HD2 HIS 90 HD2 HIS 90 68.366 -5.436 -26.059 668 HE1 HIS 90 HE1 HIS 90 69.808 -2.195 -28.341 669 H HIS 91 HN HIS 91 67.097 -8.673 -30.415 670 HA HIS 91 HA HIS 91 65.611 -8.372 -32.062 671 HB2 HIS 91 HB2 HIS 91 64.198 -6.478 -30.149 672 HB3 HIS 91 HB1 HIS 91 63.511 -7.114 -31.638 673 HD1 HIS 91 HD1 HIS 91 63.889 -7.867 -28.046 674 HD2 HIS 91 HD2 HIS 91 63.060 -9.974 -31.541 675 HE1 HIS 91 HE1 HIS 91 62.925 -10.071 -27.322 676 H HIS 92 HN HIS 92 67.218 -7.533 -33.280 677 HA HIS 92 HA HIS 92 67.683 -4.698 -33.311 678 HB2 HIS 92 HB2 HIS 92 68.846 -6.824 -35.131 679 HB3 HIS 92 HB1 HIS 92 69.429 -5.171 -34.949 680 HD1 HIS 92 HD1 HIS 92 70.769 -4.643 -32.713 681 HD2 HIS 92 HD2 HIS 92 69.577 -8.591 -33.147 682 HE1 HIS 92 HE1 HIS 92 72.132 -5.987 -31.054 683 H HIS 93 HN HIS 93 65.769 -3.999 -33.819 684 HA HIS 93 HA HIS 93 65.064 -3.088 -36.271 685 HB2 HIS 93 HB2 HIS 93 64.595 -5.453 -36.986 686 HB3 HIS 93 HB1 HIS 93 63.507 -5.639 -35.623 687 HD1 HIS 93 HD1 HIS 93 63.751 -3.745 -38.915 688 HD2 HIS 93 HD2 HIS 93 60.947 -4.813 -36.046 689 HE1 HIS 93 HE1 HIS 93 61.513 -3.091 -39.854 690 H HIS 94 HN HIS 94 63.956 -4.625 -33.351 691 HA HIS 94 HA HIS 94 61.713 -2.933 -32.887 692 HB2 HIS 94 HB2 HIS 94 62.059 -5.260 -31.931 693 HB3 HIS 94 HB1 HIS 94 63.315 -4.582 -30.917 694 HD1 HIS 94 HD1 HIS 94 59.570 -4.716 -31.293 695 HD2 HIS 94 HD2 HIS 94 62.446 -3.150 -28.723 696 HE1 HIS 94 HE1 HIS 94 58.350 -4.053 -29.196 697 H HIS 95 HN HIS 95 65.033 -3.131 -31.679 698 HA HIS 95 HA HIS 95 64.797 -0.383 -30.739 699 HB2 HIS 95 HB2 HIS 95 65.631 -2.092 -29.088 700 HB3 HIS 95 HB1 HIS 95 66.993 -2.402 -30.158 701 HD1 HIS 95 HD1 HIS 95 65.799 -0.053 -27.557 702 HD2 HIS 95 HD2 HIS 95 68.858 -0.257 -30.344 703 HE1 HIS 95 HE1 HIS 95 67.454 1.746 -26.919 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 89.300 13.710 2.324 2 H2 MET 1 HT2 MET 1 88.203 14.955 2.571 3 H3 MET 1 HT3 MET 1 89.703 15.020 3.313 4 HA MET 1 HA MET 1 89.543 16.545 1.494 5 HB2 MET 1 HB2 MET 1 91.405 14.213 1.047 6 HB3 MET 1 HB1 MET 1 91.458 15.657 0.058 7 HG2 MET 1 HG2 MET 1 91.942 17.001 2.025 8 HG3 MET 1 HG1 MET 1 91.891 15.569 3.038 9 HE1 MET 1 HE1 MET 1 93.378 13.399 1.140 10 HE2 MET 1 HE2 MET 1 93.696 13.578 2.865 11 HE3 MET 1 HE3 MET 1 95.033 13.576 1.720 12 H HIS 2 HN HIS 2 88.429 13.337 0.673 13 HA HIS 2 HA HIS 2 88.107 14.049 -2.097 14 HB2 HIS 2 HB2 HIS 2 87.363 11.552 -0.550 15 HB3 HIS 2 HB1 HIS 2 87.122 11.771 -2.280 16 HD1 HIS 2 HD1 HIS 2 89.864 11.157 0.266 17 HD2 HIS 2 HD2 HIS 2 89.394 11.598 -3.843 18 HE1 HIS 2 HE1 HIS 2 92.039 10.479 -0.767 19 H THR 3 HN THR 3 86.571 15.514 -2.447 20 HA THR 3 HA THR 3 84.194 15.556 -0.828 21 HB THR 3 HB THR 3 83.794 17.643 -2.267 22 HG1 THR 3 HG1 THR 3 86.098 18.327 -2.902 23 HG21 THR 3 HG21 THR 3 85.377 18.959 -0.912 24 HG22 THR 3 HG22 THR 3 86.230 17.479 -0.475 25 HG23 THR 3 HG23 THR 3 84.571 17.734 0.068 26 H ASN 4 HN ASN 4 85.106 14.269 -3.836 27 HA ASN 4 HA ASN 4 82.471 14.593 -5.047 28 HB2 ASN 4 HB2 ASN 4 84.885 13.010 -5.960 29 HB3 ASN 4 HB1 ASN 4 83.348 12.995 -6.801 30 HD21 ASN 4 HD21 ASN 4 84.662 15.877 -5.310 31 HD22 ASN 4 HD22 ASN 4 85.019 16.684 -6.788 32 H TRP 5 HN TRP 5 80.968 13.691 -4.108 33 HA TRP 5 HA TRP 5 81.216 10.997 -3.102 34 HB2 TRP 5 HB2 TRP 5 79.017 11.393 -2.050 35 HB3 TRP 5 HB1 TRP 5 80.213 12.598 -1.613 36 HD1 TRP 5 HD1 TRP 5 79.422 14.130 -4.645 37 HE1 TRP 5 HE1 TRP 5 77.458 15.707 -4.521 38 HE3 TRP 5 HE3 TRP 5 77.338 12.418 -0.303 39 HZ2 TRP 5 HZ2 TRP 5 75.230 16.188 -2.782 40 HZ3 TRP 5 HZ3 TRP 5 75.294 13.507 0.528 41 HH2 TRP 5 HH2 TRP 5 74.265 15.353 -0.691 42 H GLN 6 HN GLN 6 78.963 9.766 -3.383 43 HA GLN 6 HA GLN 6 78.313 9.790 -6.209 44 HB2 GLN 6 HB2 GLN 6 78.523 7.224 -6.168 45 HB3 GLN 6 HB1 GLN 6 80.010 8.156 -6.230 46 HG2 GLN 6 HG2 GLN 6 80.367 6.377 -4.701 47 HG3 GLN 6 HG1 GLN 6 80.200 7.846 -3.750 48 HE21 GLN 6 HE21 GLN 6 79.584 6.830 -1.916 49 HE22 GLN 6 HE22 GLN 6 78.062 6.010 -1.742 50 H VAL 7 HN VAL 7 76.365 8.464 -6.742 51 HA VAL 7 HA VAL 7 74.521 8.450 -4.454 52 HB VAL 7 HB VAL 7 72.724 9.283 -5.841 53 HG11 VAL 7 HG11 VAL 7 73.466 11.537 -6.401 54 HG12 VAL 7 HG12 VAL 7 75.142 11.000 -6.325 55 HG13 VAL 7 HG13 VAL 7 74.173 11.013 -4.867 56 HG21 VAL 7 HG21 VAL 7 74.652 9.342 -8.177 57 HG22 VAL 7 HG22 VAL 7 72.990 9.923 -8.194 58 HG23 VAL 7 HG23 VAL 7 73.320 8.203 -7.969 59 H CYS 8 HN CYS 8 72.934 6.753 -4.469 60 HA CYS 8 HA CYS 8 73.008 4.888 -6.701 61 HB2 CYS 8 HB2 CYS 8 73.253 2.941 -5.190 62 HB3 CYS 8 HB1 CYS 8 74.647 4.000 -5.068 63 HG CYS 8 HG CYS 8 73.553 5.229 -2.716 64 H SER 9 HN SER 9 71.154 3.512 -6.745 65 HA SER 9 HA SER 9 68.972 4.405 -5.013 66 HB2 SER 9 HB2 SER 9 68.448 5.088 -7.268 67 HB3 SER 9 HB1 SER 9 68.828 3.491 -7.932 68 HG SER 9 HG SER 9 66.677 4.393 -6.355 69 H LEU 10 HN LEU 10 67.872 2.855 -4.008 70 HA LEU 10 HA LEU 10 68.779 0.092 -4.396 71 HB2 LEU 10 HB2 LEU 10 67.623 1.433 -1.994 72 HB3 LEU 10 HB1 LEU 10 68.117 -0.232 -2.055 73 HG LEU 10 HG LEU 10 69.973 2.118 -2.354 74 HD11 LEU 10 HD11 LEU 10 69.564 0.209 -0.033 75 HD12 LEU 10 HD12 LEU 10 69.082 1.904 -0.067 76 HD13 LEU 10 HD13 LEU 10 70.789 1.475 -0.118 77 HD21 LEU 10 HD21 LEU 10 70.771 0.182 -3.556 78 HD22 LEU 10 HD22 LEU 10 70.529 -0.837 -2.137 79 HD23 LEU 10 HD23 LEU 10 71.751 0.439 -2.111 80 H VAL 11 HN VAL 11 67.297 -1.118 -5.253 81 HA VAL 11 HA VAL 11 64.480 -0.368 -4.969 82 HB VAL 11 HB VAL 11 65.670 -2.511 -6.773 83 HG11 VAL 11 HG11 VAL 11 63.503 -2.452 -7.910 84 HG12 VAL 11 HG12 VAL 11 62.922 -1.275 -6.737 85 HG13 VAL 11 HG13 VAL 11 63.338 -2.904 -6.213 86 HG21 VAL 11 HG21 VAL 11 65.323 -0.973 -8.637 87 HG22 VAL 11 HG22 VAL 11 66.456 -0.295 -7.459 88 HG23 VAL 11 HG23 VAL 11 64.783 0.265 -7.504 89 H VAL 12 HN VAL 12 63.829 -1.117 -3.125 90 HA VAL 12 HA VAL 12 64.850 -3.672 -2.196 91 HB VAL 12 HB VAL 12 63.281 -1.556 -0.709 92 HG11 VAL 12 HG11 VAL 12 63.003 -3.789 0.249 93 HG12 VAL 12 HG12 VAL 12 63.958 -2.757 1.321 94 HG13 VAL 12 HG13 VAL 12 64.753 -3.974 0.331 95 HG21 VAL 12 HG21 VAL 12 65.481 -0.717 -1.356 96 HG22 VAL 12 HG22 VAL 12 66.242 -2.144 -0.657 97 HG23 VAL 12 HG23 VAL 12 65.409 -0.991 0.385 98 H GLN 13 HN GLN 13 63.662 -5.351 -2.701 99 HA GLN 13 HA GLN 13 60.757 -5.182 -2.806 100 HB2 GLN 13 HB2 GLN 13 62.639 -7.569 -3.024 101 HB3 GLN 13 HB1 GLN 13 60.899 -7.703 -3.063 102 HG2 GLN 13 HG2 GLN 13 61.629 -7.905 -5.287 103 HG3 GLN 13 HG1 GLN 13 60.949 -6.294 -5.145 104 HE21 GLN 13 HE21 GLN 13 63.811 -8.167 -5.574 105 HE22 GLN 13 HE22 GLN 13 64.859 -6.872 -6.044 106 H ALA 14 HN ALA 14 59.709 -5.219 -0.940 107 HA ALA 14 HA ALA 14 60.934 -6.644 1.305 108 HB1 ALA 14 HB1 ALA 14 60.211 -4.833 2.763 109 HB2 ALA 14 HB2 ALA 14 59.645 -3.922 1.362 110 HB3 ALA 14 HB3 ALA 14 61.365 -4.269 1.557 111 H LYS 15 HN LYS 15 59.271 -6.853 3.111 112 HA LYS 15 HA LYS 15 56.972 -8.216 2.238 113 HB2 LYS 15 HB2 LYS 15 57.811 -7.097 4.896 114 HB3 LYS 15 HB1 LYS 15 56.171 -7.680 4.698 115 HG2 LYS 15 HG2 LYS 15 57.515 -9.382 5.736 116 HG3 LYS 15 HG1 LYS 15 57.080 -9.899 4.117 117 HD2 LYS 15 HD2 LYS 15 59.297 -9.417 3.317 118 HD3 LYS 15 HD1 LYS 15 59.736 -8.687 4.867 119 HE2 LYS 15 HE2 LYS 15 59.429 -10.818 5.983 120 HE3 LYS 15 HE1 LYS 15 58.925 -11.562 4.469 121 HZ1 LYS 15 HZ1 LYS 15 61.649 -10.431 4.978 122 HZ2 LYS 15 HZ2 LYS 15 61.168 -11.309 3.604 123 HZ3 LYS 15 HZ3 LYS 15 61.223 -12.035 5.081 124 H SER 16 HN SER 16 55.308 -7.385 1.259 125 HA SER 16 HA SER 16 54.911 -4.721 0.759 126 HB2 SER 16 HB2 SER 16 52.840 -6.890 0.561 127 HB3 SER 16 HB1 SER 16 53.052 -5.452 -0.450 128 HG SER 16 HG SER 16 54.030 -6.971 -1.631 129 H GLU 17 HN GLU 17 53.508 -6.747 3.249 130 HA GLU 17 HA GLU 17 51.551 -4.757 4.024 131 HB2 GLU 17 HB2 GLU 17 50.846 -6.380 5.629 132 HB3 GLU 17 HB1 GLU 17 51.127 -7.188 4.092 133 HG2 GLU 17 HG2 GLU 17 53.442 -7.749 5.020 134 HG3 GLU 17 HG1 GLU 17 52.785 -7.270 6.576 135 H ARG 18 HN ARG 18 54.792 -4.950 4.491 136 HA ARG 18 HA ARG 18 54.624 -3.834 7.199 137 HB2 ARG 18 HB2 ARG 18 55.549 -6.162 7.032 138 HB3 ARG 18 HB1 ARG 18 56.841 -5.512 6.042 139 HG2 ARG 18 HG2 ARG 18 57.703 -4.253 7.859 140 HG3 ARG 18 HG1 ARG 18 56.324 -4.672 8.879 141 HD2 ARG 18 HD2 ARG 18 56.948 -7.032 8.695 142 HD3 ARG 18 HD1 ARG 18 58.353 -6.585 7.741 143 HE ARG 18 HE ARG 18 58.588 -5.123 10.012 144 HH11 ARG 18 HH11 ARG 18 58.078 -8.582 9.358 145 HH12 ARG 18 HH12 ARG 18 59.035 -9.131 10.647 146 HH21 ARG 18 HH21 ARG 18 59.877 -5.895 11.859 147 HH22 ARG 18 HH22 ARG 18 60.062 -7.564 12.127 148 H ILE 19 HN ILE 19 54.772 -2.842 4.335 149 HA ILE 19 HA ILE 19 57.229 -1.721 3.734 150 HB ILE 19 HB ILE 19 54.455 -0.895 2.902 151 HG12 ILE 19 HG12 ILE 19 55.223 -3.058 2.140 152 HG13 ILE 19 HG11 ILE 19 55.089 -1.969 0.772 153 HG21 ILE 19 HG21 ILE 19 55.861 1.106 2.741 154 HG22 ILE 19 HG22 ILE 19 55.426 0.496 1.144 155 HG23 ILE 19 HG23 ILE 19 57.035 0.181 1.800 156 HD11 ILE 19 HD11 ILE 19 57.631 -2.816 2.159 157 HD12 ILE 19 HD12 ILE 19 57.538 -1.633 0.859 158 HD13 ILE 19 HD13 ILE 19 57.077 -3.309 0.563 159 H SER 20 HN SER 20 54.641 -0.189 5.639 160 HA SER 20 HA SER 20 56.069 2.257 5.745 161 HB2 SER 20 HB2 SER 20 53.760 1.303 7.458 162 HB3 SER 20 HB1 SER 20 54.329 2.968 7.323 163 HG SER 20 HG SER 20 54.022 2.579 4.977 164 H ASP 21 HN ASP 21 56.026 -0.582 7.775 165 HA ASP 21 HA ASP 21 57.419 0.484 10.014 166 HB2 ASP 21 HB2 ASP 21 56.290 -1.639 10.280 167 HB3 ASP 21 HB1 ASP 21 57.177 -2.342 8.940 168 H ILE 22 HN ILE 22 58.438 -1.177 7.132 169 HA ILE 22 HA ILE 22 61.255 -1.067 7.633 170 HB ILE 22 HB ILE 22 59.756 -1.410 5.019 171 HG12 ILE 22 HG12 ILE 22 60.811 -3.525 6.894 172 HG13 ILE 22 HG11 ILE 22 59.139 -2.984 6.859 173 HG21 ILE 22 HG21 ILE 22 61.800 -2.561 4.264 174 HG22 ILE 22 HG22 ILE 22 62.582 -2.177 5.798 175 HG23 ILE 22 HG23 ILE 22 62.130 -0.882 4.689 176 HD11 ILE 22 HD11 ILE 22 59.392 -5.027 5.631 177 HD12 ILE 22 HD12 ILE 22 60.657 -4.295 4.652 178 HD13 ILE 22 HD13 ILE 22 58.994 -3.711 4.520 179 H SER 23 HN SER 23 59.001 1.005 5.859 180 HA SER 23 HA SER 23 60.845 2.710 4.665 181 HB2 SER 23 HB2 SER 23 58.462 2.688 4.070 182 HB3 SER 23 HB1 SER 23 58.056 3.314 5.665 183 HG SER 23 HG SER 23 58.369 4.747 3.654 184 H THR 24 HN THR 24 59.600 2.653 7.942 185 HA THR 24 HA THR 24 60.479 5.291 8.618 186 HB THR 24 HB THR 24 59.690 2.939 10.375 187 HG1 THR 24 HG1 THR 24 57.909 3.547 9.168 188 HG21 THR 24 HG21 THR 24 59.306 4.630 12.134 189 HG22 THR 24 HG22 THR 24 59.895 5.887 11.047 190 HG23 THR 24 HG23 THR 24 60.991 4.622 11.607 191 H GLN 25 HN GLN 25 61.618 2.054 8.795 192 HA GLN 25 HA GLN 25 63.898 2.461 10.315 193 HB2 GLN 25 HB2 GLN 25 62.675 0.438 8.624 194 HB3 GLN 25 HB1 GLN 25 64.330 0.134 8.990 195 HG2 GLN 25 HG2 GLN 25 63.709 0.358 11.422 196 HG3 GLN 25 HG1 GLN 25 62.032 0.520 10.907 197 HE21 GLN 25 HE21 GLN 25 60.965 -1.238 10.099 198 HE22 GLN 25 HE22 GLN 25 61.551 -2.850 10.301 199 H LEU 26 HN LEU 26 63.381 2.241 6.751 200 HA LEU 26 HA LEU 26 66.062 2.470 6.060 201 HB2 LEU 26 HB2 LEU 26 63.620 3.172 4.403 202 HB3 LEU 26 HB1 LEU 26 65.234 2.908 3.877 203 HG LEU 26 HG LEU 26 63.522 0.792 5.152 204 HD11 LEU 26 HD11 LEU 26 64.288 1.165 2.268 205 HD12 LEU 26 HD12 LEU 26 62.694 1.444 2.963 206 HD13 LEU 26 HD13 LEU 26 63.371 -0.185 2.936 207 HD21 LEU 26 HD21 LEU 26 65.289 -0.745 4.352 208 HD22 LEU 26 HD22 LEU 26 65.863 0.391 5.572 209 HD23 LEU 26 HD23 LEU 26 66.239 0.664 3.869 210 H ASN 27 HN ASN 27 63.555 4.819 6.643 211 HA ASN 27 HA ASN 27 65.016 7.051 5.599 212 HB2 ASN 27 HB2 ASN 27 62.483 6.711 7.112 213 HB3 ASN 27 HB1 ASN 27 63.176 8.326 6.953 214 HD21 ASN 27 HD21 ASN 27 60.689 7.218 5.973 215 HD22 ASN 27 HD22 ASN 27 60.681 7.397 4.264 216 H ALA 28 HN ALA 28 65.454 5.288 8.368 217 HA ALA 28 HA ALA 28 66.161 7.638 9.947 218 HB1 ALA 28 HB1 ALA 28 65.894 4.765 10.795 219 HB2 ALA 28 HB2 ALA 28 64.707 6.047 11.037 220 HB3 ALA 28 HB3 ALA 28 66.266 6.119 11.861 221 H PHE 29 HN PHE 29 67.787 5.765 7.735 222 HA PHE 29 HA PHE 29 70.142 5.541 9.299 223 HB2 PHE 29 HB2 PHE 29 69.278 4.793 6.549 224 HB3 PHE 29 HB1 PHE 29 70.974 4.669 7.022 225 HD1 PHE 29 HD2 PHE 29 71.209 3.257 9.331 226 HD2 PHE 29 HD1 PHE 29 67.998 3.021 6.574 227 HE1 PHE 29 HE2 PHE 29 70.636 1.031 10.207 228 HE2 PHE 29 HE1 PHE 29 67.410 0.780 7.435 229 HZ PHE 29 HZ PHE 29 68.738 -0.215 9.256 230 HA PRO 30 HA PRO 30 71.525 9.486 8.024 231 HB2 PRO 30 HB2 PRO 30 74.270 9.139 8.234 232 HB3 PRO 30 HB1 PRO 30 73.179 9.481 9.574 233 HG2 PRO 30 HG2 PRO 30 74.585 7.018 8.947 234 HG3 PRO 30 HG1 PRO 30 73.684 7.440 10.408 235 HD2 PRO 30 HD2 PRO 30 72.885 5.742 8.209 236 HD3 PRO 30 HD1 PRO 30 72.037 6.049 9.726 237 H GLY 31 HN GLY 31 70.991 9.772 5.895 238 HA2 GLY 31 HA2 GLY 31 71.946 10.582 3.854 239 HA3 GLY 31 HA1 GLY 31 73.200 9.356 3.993 240 H CYS 32 HN CYS 32 70.352 8.055 4.935 241 HA CYS 32 HA CYS 32 69.836 6.889 2.310 242 HB2 CYS 32 HB2 CYS 32 70.797 5.296 3.850 243 HB3 CYS 32 HB1 CYS 32 69.703 5.838 5.102 244 HG CYS 32 HG CYS 32 67.613 4.492 4.413 245 H GLU 33 HN GLU 33 67.817 7.337 1.575 246 HA GLU 33 HA GLU 33 65.654 7.640 3.433 247 HB2 GLU 33 HB2 GLU 33 66.733 9.888 3.398 248 HB3 GLU 33 HB1 GLU 33 66.404 9.979 1.675 249 HG2 GLU 33 HG2 GLU 33 64.012 9.864 2.124 250 HG3 GLU 33 HG1 GLU 33 64.344 9.730 3.839 251 H VAL 34 HN VAL 34 63.771 7.182 2.559 252 HA VAL 34 HA VAL 34 63.668 5.839 0.041 253 HB VAL 34 HB VAL 34 61.332 6.659 1.791 254 HG11 VAL 34 HG11 VAL 34 60.213 4.694 0.865 255 HG12 VAL 34 HG12 VAL 34 61.616 4.373 -0.151 256 HG13 VAL 34 HG13 VAL 34 60.673 5.841 -0.392 257 HG21 VAL 34 HG21 VAL 34 62.962 4.125 2.023 258 HG22 VAL 34 HG22 VAL 34 61.529 4.540 2.967 259 HG23 VAL 34 HG23 VAL 34 63.005 5.494 3.132 260 H ALA 35 HN ALA 35 62.591 6.483 -1.815 261 HA ALA 35 HA ALA 35 61.681 9.277 -1.912 262 HB1 ALA 35 HB1 ALA 35 63.787 8.964 -3.163 263 HB2 ALA 35 HB2 ALA 35 62.448 9.359 -4.239 264 HB3 ALA 35 HB3 ALA 35 63.017 7.697 -4.122 265 H VAL 36 HN VAL 36 61.490 6.363 -3.941 266 HA VAL 36 HA VAL 36 58.648 6.906 -4.385 267 HB VAL 36 HB VAL 36 60.413 4.872 -5.800 268 HG11 VAL 36 HG11 VAL 36 57.727 5.985 -6.541 269 HG12 VAL 36 HG12 VAL 36 58.072 4.351 -5.980 270 HG13 VAL 36 HG13 VAL 36 58.696 4.900 -7.537 271 HG21 VAL 36 HG21 VAL 36 59.692 7.647 -6.726 272 HG22 VAL 36 HG22 VAL 36 60.586 6.446 -7.656 273 HG23 VAL 36 HG23 VAL 36 61.285 7.124 -6.181 274 H SER 37 HN SER 37 57.094 5.368 -3.822 275 HA SER 37 HA SER 37 58.020 2.925 -2.532 276 HB2 SER 37 HB2 SER 37 55.979 4.809 -1.332 277 HB3 SER 37 HB1 SER 37 56.584 3.297 -0.632 278 HG SER 37 HG SER 37 58.661 4.698 -1.228 279 H ASP 38 HN ASP 38 56.690 1.215 -2.919 280 HA ASP 38 HA ASP 38 54.007 1.723 -3.924 281 HB2 ASP 38 HB2 ASP 38 55.960 -0.160 -5.283 282 HB3 ASP 38 HB1 ASP 38 54.273 -0.173 -5.598 283 H ALA 39 HN ALA 39 53.249 1.100 -1.973 284 HA ALA 39 HA ALA 39 53.846 -1.196 -0.576 285 HB1 ALA 39 HB1 ALA 39 51.122 0.074 -0.801 286 HB2 ALA 39 HB2 ALA 39 52.405 0.596 0.292 287 HB3 ALA 39 HB3 ALA 39 51.668 -0.994 0.488 288 HA PRO 40 HA PRO 40 50.342 -3.543 -3.379 289 HB2 PRO 40 HB2 PRO 40 50.880 -2.876 -6.019 290 HB3 PRO 40 HB1 PRO 40 49.522 -2.246 -5.076 291 HG2 PRO 40 HG2 PRO 40 52.261 -1.073 -5.443 292 HG3 PRO 40 HG1 PRO 40 50.732 -0.234 -5.688 293 HD2 PRO 40 HD2 PRO 40 51.925 0.174 -3.461 294 HD3 PRO 40 HD1 PRO 40 50.238 -0.381 -3.328 295 H SER 41 HN SER 41 53.475 -2.579 -4.766 296 HA SER 41 HA SER 41 53.989 -5.312 -5.598 297 HB2 SER 41 HB2 SER 41 54.530 -3.379 -7.100 298 HB3 SER 41 HB1 SER 41 55.716 -2.836 -5.919 299 HG SER 41 HG SER 41 55.741 -5.323 -7.278 300 H GLY 42 HN GLY 42 54.753 -3.169 -3.006 301 HA2 GLY 42 HA2 GLY 42 55.819 -3.687 -1.023 302 HA3 GLY 42 HA1 GLY 42 56.364 -5.213 -1.718 303 H GLN 43 HN GLN 43 56.698 -2.184 -3.321 304 HA GLN 43 HA GLN 43 59.596 -2.598 -3.438 305 HB2 GLN 43 HB2 GLN 43 58.137 -2.431 -5.545 306 HB3 GLN 43 HB1 GLN 43 57.862 -0.793 -5.051 307 HG2 GLN 43 HG2 GLN 43 60.222 -0.250 -5.189 308 HG3 GLN 43 HG1 GLN 43 60.569 -1.907 -5.686 309 HE21 GLN 43 HE21 GLN 43 57.751 -0.080 -6.738 310 HE22 GLN 43 HE22 GLN 43 58.216 0.013 -8.371 311 H LEU 44 HN LEU 44 60.919 -1.202 -2.565 312 HA LEU 44 HA LEU 44 60.004 1.507 -1.949 313 HB2 LEU 44 HB2 LEU 44 61.619 -0.360 -0.220 314 HB3 LEU 44 HB1 LEU 44 61.604 1.372 0.032 315 HG LEU 44 HG LEU 44 59.086 -0.289 0.079 316 HD11 LEU 44 HD11 LEU 44 60.847 0.546 2.388 317 HD12 LEU 44 HD12 LEU 44 60.613 -1.103 1.795 318 HD13 LEU 44 HD13 LEU 44 59.264 -0.227 2.516 319 HD21 LEU 44 HD21 LEU 44 58.776 2.089 -0.296 320 HD22 LEU 44 HD22 LEU 44 59.796 2.458 1.092 321 HD23 LEU 44 HD23 LEU 44 58.241 1.672 1.334 322 H ILE 45 HN ILE 45 61.164 2.950 -2.982 323 HA ILE 45 HA ILE 45 63.808 2.199 -4.003 324 HB ILE 45 HB ILE 45 61.955 4.486 -4.693 325 HG12 ILE 45 HG12 ILE 45 61.256 2.310 -5.630 326 HG13 ILE 45 HG11 ILE 45 61.762 3.417 -6.907 327 HG21 ILE 45 HG21 ILE 45 64.677 3.895 -5.869 328 HG22 ILE 45 HG22 ILE 45 64.242 5.284 -4.874 329 HG23 ILE 45 HG23 ILE 45 63.544 5.103 -6.481 330 HD11 ILE 45 HD11 ILE 45 63.341 1.149 -5.739 331 HD12 ILE 45 HD12 ILE 45 63.930 2.273 -6.958 332 HD13 ILE 45 HD13 ILE 45 62.579 1.195 -7.330 333 H VAL 46 HN VAL 46 65.453 2.846 -2.895 334 HA VAL 46 HA VAL 46 65.149 5.208 -1.184 335 HB VAL 46 HB VAL 46 66.877 2.750 -0.679 336 HG11 VAL 46 HG11 VAL 46 67.401 3.794 1.469 337 HG12 VAL 46 HG12 VAL 46 66.480 5.222 0.999 338 HG13 VAL 46 HG13 VAL 46 67.945 4.788 0.116 339 HG21 VAL 46 HG21 VAL 46 64.398 3.743 0.724 340 HG22 VAL 46 HG22 VAL 46 65.437 2.482 1.337 341 HG23 VAL 46 HG23 VAL 46 64.564 2.236 -0.184 342 H VAL 47 HN VAL 47 66.573 6.798 -1.540 343 HA VAL 47 HA VAL 47 68.751 6.215 -3.413 344 HB VAL 47 HB VAL 47 67.452 8.890 -2.775 345 HG11 VAL 47 HG11 VAL 47 68.806 9.770 -4.638 346 HG12 VAL 47 HG12 VAL 47 69.569 8.195 -4.822 347 HG13 VAL 47 HG13 VAL 47 69.819 9.132 -3.346 348 HG21 VAL 47 HG21 VAL 47 66.608 8.798 -5.099 349 HG22 VAL 47 HG22 VAL 47 65.952 7.511 -4.088 350 HG23 VAL 47 HG23 VAL 47 67.237 7.158 -5.240 351 H VAL 48 HN VAL 48 70.662 6.197 -2.629 352 HA VAL 48 HA VAL 48 71.135 7.558 -0.070 353 HB VAL 48 HB VAL 48 72.415 4.961 -0.928 354 HG11 VAL 48 HG11 VAL 48 73.778 6.254 0.596 355 HG12 VAL 48 HG12 VAL 48 73.169 4.814 1.414 356 HG13 VAL 48 HG13 VAL 48 72.435 6.388 1.731 357 HG21 VAL 48 HG21 VAL 48 70.071 4.516 -0.522 358 HG22 VAL 48 HG22 VAL 48 70.153 5.325 1.037 359 HG23 VAL 48 HG23 VAL 48 71.043 3.829 0.777 360 H GLU 49 HN GLU 49 72.424 9.222 -0.614 361 HA GLU 49 HA GLU 49 74.669 8.590 -2.337 362 HB2 GLU 49 HB2 GLU 49 74.923 11.030 -2.756 363 HB3 GLU 49 HB1 GLU 49 73.345 10.431 -3.228 364 HG2 GLU 49 HG2 GLU 49 73.841 11.878 -0.655 365 HG3 GLU 49 HG1 GLU 49 73.402 12.686 -2.151 366 H ALA 50 HN ALA 50 76.667 8.730 -1.555 367 HA ALA 50 HA ALA 50 76.879 9.540 1.255 368 HB1 ALA 50 HB1 ALA 50 78.179 7.555 1.798 369 HB2 ALA 50 HB2 ALA 50 77.970 6.961 0.153 370 HB3 ALA 50 HB3 ALA 50 76.570 7.114 1.218 371 H GLU 51 HN GLU 51 78.750 10.307 1.912 372 HA GLU 51 HA GLU 51 80.426 11.786 0.264 373 HB2 GLU 51 HB2 GLU 51 80.001 11.760 2.843 374 HB3 GLU 51 HB1 GLU 51 81.325 10.613 2.876 375 HG2 GLU 51 HG2 GLU 51 82.290 12.670 3.378 376 HG3 GLU 51 HG1 GLU 51 82.679 12.417 1.678 377 H ASP 52 HN ASP 52 80.957 8.688 1.863 378 HA ASP 52 HA ASP 52 83.172 8.039 0.064 379 HB2 ASP 52 HB2 ASP 52 84.213 8.335 2.150 380 HB3 ASP 52 HB1 ASP 52 82.864 7.631 3.027 381 H SER 53 HN SER 53 83.267 5.907 -0.719 382 HA SER 53 HA SER 53 80.733 4.706 -1.104 383 HB2 SER 53 HB2 SER 53 83.456 3.716 -1.953 384 HB3 SER 53 HB1 SER 53 81.899 3.242 -2.625 385 HG SER 53 HG SER 53 82.774 4.786 -3.923 386 H GLU 54 HN GLU 54 83.486 3.880 0.955 387 HA GLU 54 HA GLU 54 82.500 1.256 1.489 388 HB2 GLU 54 HB2 GLU 54 84.901 1.915 1.733 389 HB3 GLU 54 HB1 GLU 54 84.452 2.906 3.113 390 HG2 GLU 54 HG2 GLU 54 83.743 0.947 4.327 391 HG3 GLU 54 HG1 GLU 54 84.077 -0.069 2.925 392 H THR 55 HN THR 55 82.172 4.386 2.900 393 HA THR 55 HA THR 55 80.671 3.726 5.185 394 HB THR 55 HB THR 55 80.325 6.198 3.447 395 HG1 THR 55 HG1 THR 55 82.547 5.748 4.040 396 HG21 THR 55 HG21 THR 55 78.653 5.938 5.245 397 HG22 THR 55 HG22 THR 55 79.735 7.291 5.569 398 HG23 THR 55 HG23 THR 55 79.954 5.763 6.423 399 H LEU 56 HN LEU 56 79.817 4.263 1.813 400 HA LEU 56 HA LEU 56 77.030 4.161 1.928 401 HB2 LEU 56 HB2 LEU 56 78.331 4.787 -0.077 402 HB3 LEU 56 HB1 LEU 56 78.859 3.125 -0.238 403 HG LEU 56 HG LEU 56 76.410 2.527 -0.472 404 HD11 LEU 56 HD11 LEU 56 74.938 4.287 -1.284 405 HD12 LEU 56 HD12 LEU 56 76.183 5.480 -0.907 406 HD13 LEU 56 HD13 LEU 56 75.442 4.535 0.386 407 HD21 LEU 56 HD21 LEU 56 77.723 4.205 -2.610 408 HD22 LEU 56 HD22 LEU 56 76.386 3.087 -2.860 409 HD23 LEU 56 HD23 LEU 56 77.957 2.478 -2.347 410 H ILE 57 HN ILE 57 79.394 1.557 1.401 411 HA ILE 57 HA ILE 57 77.627 -0.575 1.095 412 HB ILE 57 HB ILE 57 80.404 -0.687 2.320 413 HG12 ILE 57 HG12 ILE 57 79.548 -1.048 -0.567 414 HG13 ILE 57 HG11 ILE 57 80.314 0.398 0.072 415 HG21 ILE 57 HG21 ILE 57 78.747 -2.851 1.003 416 HG22 ILE 57 HG22 ILE 57 79.131 -2.742 2.719 417 HG23 ILE 57 HG23 ILE 57 80.416 -3.030 1.540 418 HD11 ILE 57 HD11 ILE 57 81.539 -2.352 -0.037 419 HD12 ILE 57 HD12 ILE 57 82.318 -0.907 0.595 420 HD13 ILE 57 HD13 ILE 57 81.903 -1.008 -1.119 421 H GLN 58 HN GLN 58 79.253 0.525 4.044 422 HA GLN 58 HA GLN 58 78.142 -1.314 5.835 423 HB2 GLN 58 HB2 GLN 58 79.083 1.516 6.294 424 HB3 GLN 58 HB1 GLN 58 78.729 0.366 7.579 425 HG2 GLN 58 HG2 GLN 58 80.537 -1.060 6.874 426 HG3 GLN 58 HG1 GLN 58 80.806 -0.069 5.441 427 HE21 GLN 58 HE21 GLN 58 81.827 1.859 5.642 428 HE22 GLN 58 HE22 GLN 58 82.691 2.362 7.058 429 H THR 59 HN THR 59 76.914 1.769 4.683 430 HA THR 59 HA THR 59 74.711 1.910 6.473 431 HB THR 59 HB THR 59 75.044 3.257 3.767 432 HG1 THR 59 HG1 THR 59 76.776 3.821 5.105 433 HG21 THR 59 HG21 THR 59 72.745 3.365 4.665 434 HG22 THR 59 HG22 THR 59 73.510 4.949 4.692 435 HG23 THR 59 HG23 THR 59 73.369 4.016 6.181 436 H ILE 60 HN ILE 60 75.088 0.821 3.108 437 HA ILE 60 HA ILE 60 72.391 0.088 2.731 438 HB ILE 60 HB ILE 60 74.906 -0.843 1.305 439 HG12 ILE 60 HG12 ILE 60 72.791 1.171 0.507 440 HG13 ILE 60 HG11 ILE 60 74.398 1.561 1.101 441 HG21 ILE 60 HG21 ILE 60 72.023 -1.281 0.489 442 HG22 ILE 60 HG22 ILE 60 73.163 -2.527 1.001 443 HG23 ILE 60 HG23 ILE 60 73.433 -1.650 -0.508 444 HD11 ILE 60 HD11 ILE 60 74.257 1.791 -1.316 445 HD12 ILE 60 HD12 ILE 60 73.771 0.101 -1.456 446 HD13 ILE 60 HD13 ILE 60 75.380 0.504 -0.870 447 H GLU 61 HN GLU 61 75.188 -1.637 3.982 448 HA GLU 61 HA GLU 61 74.018 -4.185 4.079 449 HB2 GLU 61 HB2 GLU 61 76.476 -3.635 4.408 450 HB3 GLU 61 HB1 GLU 61 76.064 -3.120 6.036 451 HG2 GLU 61 HG2 GLU 61 76.935 -5.382 6.063 452 HG3 GLU 61 HG1 GLU 61 75.237 -5.362 6.545 453 H SER 62 HN SER 62 74.000 -1.501 6.384 454 HA SER 62 HA SER 62 72.630 -2.691 8.492 455 HB2 SER 62 HB2 SER 62 72.629 0.068 7.375 456 HB3 SER 62 HB1 SER 62 71.903 -0.333 8.905 457 HG SER 62 HG SER 62 74.632 -0.220 8.153 458 H VAL 63 HN VAL 63 71.518 -1.087 5.595 459 HA VAL 63 HA VAL 63 68.762 -1.156 5.978 460 HB VAL 63 HB VAL 63 70.590 -1.079 3.655 461 HG11 VAL 63 HG11 VAL 63 68.511 -2.086 2.772 462 HG12 VAL 63 HG12 VAL 63 68.583 -0.415 2.201 463 HG13 VAL 63 HG13 VAL 63 67.545 -0.843 3.558 464 HG21 VAL 63 HG21 VAL 63 70.580 0.887 4.981 465 HG22 VAL 63 HG22 VAL 63 68.821 1.003 4.910 466 HG23 VAL 63 HG23 VAL 63 69.780 1.272 3.456 467 H ARG 64 HN ARG 64 70.999 -3.463 4.486 468 HA ARG 64 HA ARG 64 68.978 -5.314 3.671 469 HB2 ARG 64 HB2 ARG 64 71.945 -5.812 4.012 470 HB3 ARG 64 HB1 ARG 64 70.816 -6.858 3.161 471 HG2 ARG 64 HG2 ARG 64 70.355 -4.892 1.649 472 HG3 ARG 64 HG1 ARG 64 71.747 -4.116 2.397 473 HD2 ARG 64 HD2 ARG 64 71.757 -6.747 0.933 474 HD3 ARG 64 HD1 ARG 64 72.304 -5.200 0.293 475 HE ARG 64 HE ARG 64 73.709 -5.992 2.686 476 HH11 ARG 64 HH11 ARG 64 73.534 -6.438 -0.818 477 HH12 ARG 64 HH12 ARG 64 75.144 -6.974 -0.963 478 HH21 ARG 64 HH21 ARG 64 75.956 -6.636 2.456 479 HH22 ARG 64 HH22 ARG 64 76.570 -7.026 0.917 480 H ASN 65 HN ASN 65 70.322 -4.588 6.601 481 HA ASN 65 HA ASN 65 69.849 -7.216 7.714 482 HB2 ASN 65 HB2 ASN 65 71.317 -4.815 8.671 483 HB3 ASN 65 HB1 ASN 65 70.626 -5.888 9.887 484 HD21 ASN 65 HD21 ASN 65 72.933 -5.644 7.264 485 HD22 ASN 65 HD22 ASN 65 73.823 -7.063 7.674 486 H VAL 66 HN VAL 66 67.998 -4.606 7.024 487 HA VAL 66 HA VAL 66 66.292 -4.640 9.326 488 HB VAL 66 HB VAL 66 65.681 -3.801 6.463 489 HG11 VAL 66 HG11 VAL 66 63.664 -4.413 7.674 490 HG12 VAL 66 HG12 VAL 66 63.708 -2.653 7.458 491 HG13 VAL 66 HG13 VAL 66 64.131 -3.377 9.013 492 HG21 VAL 66 HG21 VAL 66 67.394 -2.390 7.527 493 HG22 VAL 66 HG22 VAL 66 66.311 -2.115 8.891 494 HG23 VAL 66 HG23 VAL 66 65.886 -1.502 7.298 495 H GLU 67 HN GLU 67 64.948 -6.268 9.869 496 HA GLU 67 HA GLU 67 64.780 -8.412 8.037 497 HB2 GLU 67 HB2 GLU 67 64.001 -8.099 10.881 498 HB3 GLU 67 HB1 GLU 67 63.863 -9.593 9.949 499 HG2 GLU 67 HG2 GLU 67 66.204 -9.489 9.459 500 HG3 GLU 67 HG1 GLU 67 66.347 -8.021 10.426 501 H GLY 68 HN GLY 68 63.520 -6.964 6.747 502 HA2 GLY 68 HA2 GLY 68 60.859 -8.074 6.739 503 HA3 GLY 68 HA1 GLY 68 60.900 -6.307 6.803 504 H VAL 69 HN VAL 69 63.521 -7.879 5.295 505 HA VAL 69 HA VAL 69 62.606 -6.745 2.751 506 HB VAL 69 HB VAL 69 65.493 -7.233 3.630 507 HG11 VAL 69 HG11 VAL 69 65.286 -7.444 1.261 508 HG12 VAL 69 HG12 VAL 69 66.067 -5.911 1.676 509 HG13 VAL 69 HG13 VAL 69 64.377 -5.936 1.180 510 HG21 VAL 69 HG21 VAL 69 64.430 -5.416 4.883 511 HG22 VAL 69 HG22 VAL 69 63.935 -4.660 3.371 512 HG23 VAL 69 HG23 VAL 69 65.648 -4.800 3.764 513 H LEU 70 HN LEU 70 62.836 -7.891 0.816 514 HA LEU 70 HA LEU 70 63.078 -10.803 1.104 515 HB2 LEU 70 HB2 LEU 70 62.118 -9.202 -1.269 516 HB3 LEU 70 HB1 LEU 70 61.945 -10.922 -1.017 517 HG LEU 70 HG LEU 70 60.500 -8.764 0.510 518 HD11 LEU 70 HD11 LEU 70 58.532 -9.582 -0.658 519 HD12 LEU 70 HD12 LEU 70 59.538 -10.704 -1.571 520 HD13 LEU 70 HD13 LEU 70 59.742 -8.965 -1.782 521 HD21 LEU 70 HD21 LEU 70 60.897 -10.716 1.890 522 HD22 LEU 70 HD22 LEU 70 60.260 -11.760 0.620 523 HD23 LEU 70 HD23 LEU 70 59.192 -10.615 1.443 524 H ALA 71 HN ALA 71 63.860 -8.145 -1.143 525 HA ALA 71 HA ALA 71 66.537 -9.176 -1.521 526 HB1 ALA 71 HB1 ALA 71 66.361 -9.185 -3.944 527 HB2 ALA 71 HB2 ALA 71 64.663 -8.747 -3.837 528 HB3 ALA 71 HB3 ALA 71 65.200 -10.328 -3.253 529 H VAL 72 HN VAL 72 67.909 -7.547 -1.714 530 HA VAL 72 HA VAL 72 66.821 -4.867 -2.294 531 HB VAL 72 HB VAL 72 69.483 -5.555 -0.985 532 HG11 VAL 72 HG11 VAL 72 69.641 -3.164 -0.471 533 HG12 VAL 72 HG12 VAL 72 68.146 -2.874 -1.358 534 HG13 VAL 72 HG13 VAL 72 69.576 -3.456 -2.208 535 HG21 VAL 72 HG21 VAL 72 66.933 -4.530 0.252 536 HG22 VAL 72 HG22 VAL 72 68.480 -4.603 1.080 537 HG23 VAL 72 HG23 VAL 72 67.701 -6.091 0.541 538 H SER 73 HN SER 73 67.033 -4.470 -4.389 539 HA SER 73 HA SER 73 69.338 -5.486 -5.820 540 HB2 SER 73 HB2 SER 73 66.896 -3.976 -6.740 541 HB3 SER 73 HB1 SER 73 68.078 -4.753 -7.811 542 HG SER 73 HG SER 73 67.468 -6.695 -6.480 543 H LEU 74 HN LEU 74 71.079 -4.262 -5.787 544 HA LEU 74 HA LEU 74 70.950 -1.419 -5.066 545 HB2 LEU 74 HB2 LEU 74 72.562 -3.291 -4.145 546 HB3 LEU 74 HB1 LEU 74 73.446 -2.984 -5.620 547 HG LEU 74 HG LEU 74 72.893 -0.952 -3.439 548 HD11 LEU 74 HD11 LEU 74 74.463 -2.622 -2.701 549 HD12 LEU 74 HD12 LEU 74 75.257 -1.067 -2.987 550 HD13 LEU 74 HD13 LEU 74 75.433 -2.371 -4.162 551 HD21 LEU 74 HD21 LEU 74 73.111 0.101 -5.646 552 HD22 LEU 74 HD22 LEU 74 74.671 -0.702 -5.855 553 HD23 LEU 74 HD23 LEU 74 74.456 0.497 -4.578 554 H VAL 75 HN VAL 75 70.860 0.065 -6.474 555 HA VAL 75 HA VAL 75 71.695 -0.504 -9.198 556 HB VAL 75 HB VAL 75 69.955 1.688 -8.077 557 HG11 VAL 75 HG11 VAL 75 70.549 0.946 -10.960 558 HG12 VAL 75 HG12 VAL 75 71.142 2.383 -10.124 559 HG13 VAL 75 HG13 VAL 75 69.414 2.193 -10.435 560 HG21 VAL 75 HG21 VAL 75 68.095 0.527 -9.175 561 HG22 VAL 75 HG22 VAL 75 68.869 -0.480 -7.952 562 HG23 VAL 75 HG23 VAL 75 69.199 -0.760 -9.663 563 H TYR 76 HN TYR 76 73.821 -0.231 -8.807 564 HA TYR 76 HA TYR 76 74.938 2.278 -9.371 565 HB2 TYR 76 HB2 TYR 76 74.569 2.892 -7.045 566 HB3 TYR 76 HB1 TYR 76 75.289 1.391 -6.487 567 HD1 TYR 76 HD1 TYR 76 76.102 4.547 -8.289 568 HD2 TYR 76 HD2 TYR 76 77.561 1.326 -5.941 569 HE1 TYR 76 HE1 TYR 76 78.287 5.665 -8.118 570 HE2 TYR 76 HE2 TYR 76 79.747 2.437 -5.761 571 HH TYR 76 HH TYR 76 80.229 5.667 -6.694 572 H HIS 77 HN HIS 77 75.740 -0.619 -7.498 573 HA HIS 77 HA HIS 77 77.506 -1.687 -9.436 574 HB2 HIS 77 HB2 HIS 77 79.013 0.049 -8.551 575 HB3 HIS 77 HB1 HIS 77 78.608 -0.400 -6.906 576 HD1 HIS 77 HD1 HIS 77 80.322 -1.857 -5.798 577 HD2 HIS 77 HD2 HIS 77 80.435 -2.166 -9.940 578 HE1 HIS 77 HE1 HIS 77 82.268 -3.348 -6.334 579 H GLN 78 HN GLN 78 77.912 -3.872 -8.806 580 HA GLN 78 HA GLN 78 76.765 -4.619 -6.231 581 HB2 GLN 78 HB2 GLN 78 75.894 -6.670 -7.210 582 HB3 GLN 78 HB1 GLN 78 75.241 -5.278 -8.060 583 HG2 GLN 78 HG2 GLN 78 76.996 -5.671 -9.824 584 HG3 GLN 78 HG1 GLN 78 77.381 -7.176 -8.995 585 HE21 GLN 78 HE21 GLN 78 75.092 -5.500 -10.919 586 HE22 GLN 78 HE22 GLN 78 74.066 -6.861 -11.268 587 H GLN 79 HN GLN 79 77.932 -6.022 -5.046 588 HA GLN 79 HA GLN 79 80.411 -6.976 -6.255 589 HB2 GLN 79 HB2 GLN 79 80.875 -5.029 -4.827 590 HB3 GLN 79 HB1 GLN 79 80.078 -5.813 -3.481 591 HG2 GLN 79 HG2 GLN 79 82.549 -5.868 -3.349 592 HG3 GLN 79 HG1 GLN 79 81.806 -7.467 -3.332 593 HE21 GLN 79 HE21 GLN 79 82.199 -8.871 -5.005 594 HE22 GLN 79 HE22 GLN 79 83.352 -8.558 -6.241 595 H GLU 80 HN GLU 80 78.932 -7.382 -3.061 596 HA GLU 80 HA GLU 80 78.436 -9.195 -1.809 597 HB2 GLU 80 HB2 GLU 80 77.802 -10.491 -4.471 598 HB3 GLU 80 HB1 GLU 80 77.245 -11.050 -2.903 599 HG2 GLU 80 HG2 GLU 80 76.502 -8.474 -4.273 600 HG3 GLU 80 HG1 GLU 80 75.469 -9.891 -4.072 601 H GLU 81 HN GLU 81 78.825 -11.756 -1.761 602 HA GLU 81 HA GLU 81 81.656 -12.147 -2.264 603 HB2 GLU 81 HB2 GLU 81 80.805 -12.950 -0.099 604 HB3 GLU 81 HB1 GLU 81 79.609 -13.942 -0.925 605 HG2 GLU 81 HG2 GLU 81 81.422 -15.251 -1.956 606 HG3 GLU 81 HG1 GLU 81 82.589 -14.263 -1.087 607 H GLN 82 HN GLN 82 78.662 -13.861 -2.775 608 HA GLN 82 HA GLN 82 79.293 -14.446 -5.511 609 HB2 GLN 82 HB2 GLN 82 78.899 -16.880 -5.194 610 HB3 GLN 82 HB1 GLN 82 80.372 -16.336 -4.411 611 HG2 GLN 82 HG2 GLN 82 79.280 -16.372 -2.247 612 HG3 GLN 82 HG1 GLN 82 77.742 -16.777 -2.999 613 HE21 GLN 82 HE21 GLN 82 77.580 -18.618 -1.792 614 HE22 GLN 82 HE22 GLN 82 78.488 -20.047 -2.096 615 H GLY 83 HN GLY 83 77.381 -15.199 -6.588 616 HA2 GLY 83 HA2 GLY 83 74.933 -15.045 -5.019 617 HA3 GLY 83 HA1 GLY 83 75.122 -14.011 -6.434 618 H GLU 84 HN GLU 84 73.147 -16.072 -6.107 619 HA GLU 84 HA GLU 84 74.122 -18.167 -7.810 620 HB2 GLU 84 HB2 GLU 84 71.336 -17.689 -6.719 621 HB3 GLU 84 HB1 GLU 84 71.856 -19.136 -7.580 622 HG2 GLU 84 HG2 GLU 84 73.534 -19.543 -5.808 623 HG3 GLU 84 HG1 GLU 84 72.902 -18.160 -4.932 624 H GLU 85 HN GLU 85 74.748 -16.880 -9.424 625 HA GLU 85 HA GLU 85 73.269 -15.010 -10.839 626 HB2 GLU 85 HB2 GLU 85 75.579 -16.699 -11.800 627 HB3 GLU 85 HB1 GLU 85 75.011 -15.217 -12.557 628 HG2 GLU 85 HG2 GLU 85 75.583 -13.954 -10.536 629 HG3 GLU 85 HG1 GLU 85 76.135 -15.437 -9.768 630 H THR 86 HN THR 86 73.772 -18.452 -11.530 631 HA THR 86 HA THR 86 71.258 -18.349 -12.867 632 HB THR 86 HB THR 86 72.699 -18.118 -14.763 633 HG1 THR 86 HG1 THR 86 70.962 -19.680 -14.830 634 HG21 THR 86 HG21 THR 86 74.479 -19.742 -15.347 635 HG22 THR 86 HG22 THR 86 74.224 -20.556 -13.803 636 HG23 THR 86 HG23 THR 86 74.825 -18.897 -13.835 637 HA PRO 87 HA PRO 87 71.248 -21.856 -10.010 638 HB2 PRO 87 HB2 PRO 87 68.570 -21.709 -9.492 639 HB3 PRO 87 HB1 PRO 87 69.763 -20.714 -8.656 640 HG2 PRO 87 HG2 PRO 87 67.974 -20.009 -10.942 641 HG3 PRO 87 HG1 PRO 87 68.397 -19.054 -9.514 642 HD2 PRO 87 HD2 PRO 87 69.529 -18.670 -11.934 643 HD3 PRO 87 HD1 PRO 87 70.388 -18.351 -10.415 644 H ARG 88 HN ARG 88 69.313 -23.658 -9.982 645 HA ARG 88 HA ARG 88 68.686 -25.544 -10.919 646 HB2 ARG 88 HB2 ARG 88 67.991 -23.900 -13.383 647 HB3 ARG 88 HB1 ARG 88 67.521 -25.567 -13.134 648 HG2 ARG 88 HG2 ARG 88 65.596 -24.339 -12.668 649 HG3 ARG 88 HG1 ARG 88 66.259 -24.686 -11.071 650 HD2 ARG 88 HD2 ARG 88 67.289 -22.473 -11.034 651 HD3 ARG 88 HD1 ARG 88 66.639 -22.145 -12.630 652 HE ARG 88 HE ARG 88 64.796 -22.771 -10.469 653 HH11 ARG 88 HH11 ARG 88 66.048 -20.419 -12.830 654 HH12 ARG 88 HH12 ARG 88 64.937 -19.207 -12.412 655 HH21 ARG 88 HH21 ARG 88 63.236 -21.076 -9.937 656 HH22 ARG 88 HH22 ARG 88 63.324 -19.573 -10.731 657 H SER 89 HN SER 89 70.731 -26.405 -10.833 658 HA SER 89 HA SER 89 72.579 -26.340 -12.971 659 HB2 SER 89 HB2 SER 89 73.387 -28.469 -11.784 660 HB3 SER 89 HB1 SER 89 73.306 -27.023 -10.777 661 HG SER 89 HG SER 89 72.277 -28.483 -9.588 662 H HIS 90 HN HIS 90 70.230 -28.633 -11.891 663 HA HIS 90 HA HIS 90 70.029 -29.898 -14.491 664 HB2 HIS 90 HB2 HIS 90 68.452 -31.464 -13.287 665 HB3 HIS 90 HB1 HIS 90 70.061 -31.424 -12.586 666 HD1 HIS 90 HD1 HIS 90 70.241 -29.953 -10.239 667 HD2 HIS 90 HD2 HIS 90 66.442 -30.987 -11.591 668 HE1 HIS 90 HE1 HIS 90 68.694 -29.555 -8.320 669 H HIS 91 HN HIS 91 68.331 -29.565 -15.812 670 HA HIS 91 HA HIS 91 67.083 -27.026 -15.441 671 HB2 HIS 91 HB2 HIS 91 66.739 -29.030 -17.669 672 HB3 HIS 91 HB1 HIS 91 66.178 -27.366 -17.698 673 HD1 HIS 91 HD1 HIS 91 68.540 -29.020 -19.420 674 HD2 HIS 91 HD2 HIS 91 68.882 -25.875 -16.735 675 HE1 HIS 91 HE1 HIS 91 70.729 -27.904 -19.939 676 H HIS 92 HN HIS 92 65.617 -30.176 -16.268 677 HA HIS 92 HA HIS 92 63.650 -30.080 -14.288 678 HB2 HIS 92 HB2 HIS 92 61.647 -29.595 -15.619 679 HB3 HIS 92 HB1 HIS 92 62.717 -28.205 -15.657 680 HD1 HIS 92 HD1 HIS 92 60.432 -29.656 -17.831 681 HD2 HIS 92 HD2 HIS 92 64.472 -28.737 -18.259 682 HE1 HIS 92 HE1 HIS 92 60.849 -29.475 -20.285 683 H HIS 93 HN HIS 93 62.498 -31.986 -14.272 684 HA HIS 93 HA HIS 93 62.505 -33.673 -16.608 685 HB2 HIS 93 HB2 HIS 93 64.601 -34.287 -15.256 686 HB3 HIS 93 HB1 HIS 93 63.508 -34.772 -13.959 687 HD1 HIS 93 HD1 HIS 93 62.497 -37.188 -14.152 688 HD2 HIS 93 HD2 HIS 93 64.352 -35.845 -17.639 689 HE1 HIS 93 HE1 HIS 93 62.589 -39.145 -15.700 690 H HIS 94 HN HIS 94 60.376 -33.862 -16.750 691 HA HIS 94 HA HIS 94 58.830 -33.830 -14.339 692 HB2 HIS 94 HB2 HIS 94 56.794 -33.938 -15.902 693 HB3 HIS 94 HB1 HIS 94 57.781 -32.485 -15.954 694 HD1 HIS 94 HD1 HIS 94 56.973 -35.582 -18.027 695 HD2 HIS 94 HD2 HIS 94 58.873 -31.904 -18.377 696 HE1 HIS 94 HE1 HIS 94 57.482 -35.283 -20.475 697 H HIS 95 HN HIS 95 59.958 -35.715 -13.708 698 HA HIS 95 HA HIS 95 58.197 -37.802 -13.333 699 HB2 HIS 95 HB2 HIS 95 58.920 -38.392 -15.716 700 HB3 HIS 95 HB1 HIS 95 60.557 -38.582 -15.097 701 HD1 HIS 95 HD1 HIS 95 57.088 -40.050 -14.469 702 HD2 HIS 95 HD2 HIS 95 61.102 -41.095 -14.267 703 HE1 HIS 95 HE1 HIS 95 57.146 -42.501 -13.899 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 81.892 14.274 0.098 2 H2 MET 1 HT2 MET 1 83.188 14.766 -0.831 3 H3 MET 1 HT3 MET 1 81.660 14.487 -1.547 4 HA MET 1 HA MET 1 82.174 16.588 0.448 5 HB2 MET 1 HB2 MET 1 81.507 16.894 -2.494 6 HB3 MET 1 HB1 MET 1 81.986 18.156 -1.367 7 HG2 MET 1 HG2 MET 1 83.743 15.953 -2.433 8 HG3 MET 1 HG1 MET 1 83.794 17.645 -2.905 9 HE1 MET 1 HE1 MET 1 84.800 19.584 -1.422 10 HE2 MET 1 HE2 MET 1 85.203 19.385 0.283 11 HE3 MET 1 HE3 MET 1 83.530 19.247 -0.249 12 H HIS 2 HN HIS 2 80.035 18.199 -0.338 13 HA HIS 2 HA HIS 2 77.808 16.415 0.270 14 HB2 HIS 2 HB2 HIS 2 78.123 19.384 0.612 15 HB3 HIS 2 HB1 HIS 2 76.553 18.596 0.736 16 HD1 HIS 2 HD1 HIS 2 79.740 19.097 2.606 17 HD2 HIS 2 HD2 HIS 2 76.266 16.836 2.917 18 HE1 HIS 2 HE1 HIS 2 79.683 18.190 4.969 19 H THR 3 HN THR 3 78.915 18.234 -2.378 20 HA THR 3 HA THR 3 76.366 17.661 -3.707 21 HB THR 3 HB THR 3 78.545 19.558 -4.663 22 HG1 THR 3 HG1 THR 3 76.101 20.243 -3.359 23 HG21 THR 3 HG21 THR 3 75.615 19.305 -5.387 24 HG22 THR 3 HG22 THR 3 76.966 18.775 -6.389 25 HG23 THR 3 HG23 THR 3 76.739 20.494 -6.047 26 H ASN 4 HN ASN 4 79.835 17.327 -3.799 27 HA ASN 4 HA ASN 4 79.631 15.403 -5.993 28 HB2 ASN 4 HB2 ASN 4 82.107 16.507 -4.601 29 HB3 ASN 4 HB1 ASN 4 82.119 15.389 -5.951 30 HD21 ASN 4 HD21 ASN 4 81.777 16.145 -7.999 31 HD22 ASN 4 HD22 ASN 4 81.656 17.823 -8.369 32 H TRP 5 HN TRP 5 79.088 13.416 -5.292 33 HA TRP 5 HA TRP 5 80.509 12.074 -3.287 34 HB2 TRP 5 HB2 TRP 5 78.490 11.652 -1.762 35 HB3 TRP 5 HB1 TRP 5 79.289 13.204 -1.612 36 HD1 TRP 5 HD1 TRP 5 77.217 13.749 -4.532 37 HE1 TRP 5 HE1 TRP 5 75.003 14.841 -3.925 38 HE3 TRP 5 HE3 TRP 5 77.205 12.726 0.452 39 HZ2 TRP 5 HZ2 TRP 5 73.417 15.230 -1.586 40 HZ3 TRP 5 HZ3 TRP 5 75.345 13.470 1.822 41 HH2 TRP 5 HH2 TRP 5 73.453 14.716 0.826 42 H GLN 6 HN GLN 6 79.031 9.994 -2.658 43 HA GLN 6 HA GLN 6 78.473 8.926 -5.312 44 HB2 GLN 6 HB2 GLN 6 79.471 7.591 -2.800 45 HB3 GLN 6 HB1 GLN 6 79.059 6.729 -4.283 46 HG2 GLN 6 HG2 GLN 6 80.778 7.888 -5.496 47 HG3 GLN 6 HG1 GLN 6 81.122 8.907 -4.105 48 HE21 GLN 6 HE21 GLN 6 82.244 8.038 -2.370 49 HE22 GLN 6 HE22 GLN 6 83.143 6.575 -2.544 50 H VAL 7 HN VAL 7 76.483 8.447 -5.738 51 HA VAL 7 HA VAL 7 74.655 7.992 -3.499 52 HB VAL 7 HB VAL 7 72.908 9.131 -4.674 53 HG11 VAL 7 HG11 VAL 7 73.724 11.421 -4.723 54 HG12 VAL 7 HG12 VAL 7 75.378 10.835 -4.857 55 HG13 VAL 7 HG13 VAL 7 74.465 10.524 -3.386 56 HG21 VAL 7 HG21 VAL 7 73.415 8.465 -6.948 57 HG22 VAL 7 HG22 VAL 7 74.859 9.472 -6.949 58 HG23 VAL 7 HG23 VAL 7 73.269 10.223 -6.868 59 H CYS 8 HN CYS 8 72.893 6.626 -4.006 60 HA CYS 8 HA CYS 8 73.004 5.065 -6.431 61 HB2 CYS 8 HB2 CYS 8 73.070 2.937 -5.125 62 HB3 CYS 8 HB1 CYS 8 74.570 3.856 -5.040 63 HG CYS 8 HG CYS 8 73.656 5.041 -2.546 64 H SER 9 HN SER 9 71.069 3.727 -6.589 65 HA SER 9 HA SER 9 68.975 4.597 -4.758 66 HB2 SER 9 HB2 SER 9 68.579 5.410 -7.024 67 HB3 SER 9 HB1 SER 9 68.720 3.776 -7.689 68 HG SER 9 HG SER 9 66.595 4.911 -7.078 69 H LEU 10 HN LEU 10 67.722 2.989 -3.947 70 HA LEU 10 HA LEU 10 68.698 0.269 -4.447 71 HB2 LEU 10 HB2 LEU 10 67.616 1.469 -1.939 72 HB3 LEU 10 HB1 LEU 10 68.097 -0.191 -2.103 73 HG LEU 10 HG LEU 10 69.897 2.219 -2.229 74 HD11 LEU 10 HD11 LEU 10 69.132 1.678 0.032 75 HD12 LEU 10 HD12 LEU 10 70.843 1.280 -0.144 76 HD13 LEU 10 HD13 LEU 10 69.636 0.002 -0.185 77 HD21 LEU 10 HD21 LEU 10 70.733 0.522 -3.722 78 HD22 LEU 10 HD22 LEU 10 70.577 -0.706 -2.463 79 HD23 LEU 10 HD23 LEU 10 71.752 0.598 -2.284 80 H VAL 11 HN VAL 11 67.226 -0.997 -5.230 81 HA VAL 11 HA VAL 11 64.411 -0.303 -4.879 82 HB VAL 11 HB VAL 11 65.570 -2.549 -6.573 83 HG11 VAL 11 HG11 VAL 11 63.248 -2.880 -5.923 84 HG12 VAL 11 HG12 VAL 11 63.369 -2.552 -7.655 85 HG13 VAL 11 HG13 VAL 11 62.831 -1.288 -6.556 86 HG21 VAL 11 HG21 VAL 11 66.350 -0.394 -7.428 87 HG22 VAL 11 HG22 VAL 11 64.692 0.200 -7.461 88 HG23 VAL 11 HG23 VAL 11 65.177 -1.120 -8.526 89 H VAL 12 HN VAL 12 63.815 -0.955 -2.987 90 HA VAL 12 HA VAL 12 64.937 -3.369 -1.838 91 HB VAL 12 HB VAL 12 63.115 -1.307 -0.584 92 HG11 VAL 12 HG11 VAL 12 64.758 -3.492 0.691 93 HG12 VAL 12 HG12 VAL 12 63.009 -3.489 0.517 94 HG13 VAL 12 HG13 VAL 12 63.790 -2.296 1.554 95 HG21 VAL 12 HG21 VAL 12 65.239 -0.302 -1.209 96 HG22 VAL 12 HG22 VAL 12 66.112 -1.609 -0.405 97 HG23 VAL 12 HG23 VAL 12 65.147 -0.481 0.543 98 H GLN 13 HN GLN 13 63.943 -5.195 -2.127 99 HA GLN 13 HA GLN 13 61.051 -5.333 -2.449 100 HB2 GLN 13 HB2 GLN 13 63.206 -7.468 -2.441 101 HB3 GLN 13 HB1 GLN 13 61.497 -7.784 -2.675 102 HG2 GLN 13 HG2 GLN 13 61.517 -6.483 -4.715 103 HG3 GLN 13 HG1 GLN 13 63.226 -6.116 -4.472 104 HE21 GLN 13 HE21 GLN 13 63.775 -7.071 -6.402 105 HE22 GLN 13 HE22 GLN 13 63.779 -8.785 -6.644 106 H ALA 14 HN ALA 14 59.863 -5.542 -0.701 107 HA ALA 14 HA ALA 14 61.071 -6.658 1.714 108 HB1 ALA 14 HB1 ALA 14 61.345 -4.273 1.872 109 HB2 ALA 14 HB2 ALA 14 60.063 -4.802 2.976 110 HB3 ALA 14 HB3 ALA 14 59.649 -4.023 1.458 111 H LYS 15 HN LYS 15 59.321 -6.911 3.401 112 HA LYS 15 HA LYS 15 57.106 -8.395 2.483 113 HB2 LYS 15 HB2 LYS 15 57.748 -7.094 5.101 114 HB3 LYS 15 HB1 LYS 15 56.133 -7.714 4.855 115 HG2 LYS 15 HG2 LYS 15 57.444 -9.334 6.062 116 HG3 LYS 15 HG1 LYS 15 57.136 -9.957 4.450 117 HD2 LYS 15 HD2 LYS 15 59.341 -9.447 3.760 118 HD3 LYS 15 HD1 LYS 15 59.668 -8.568 5.256 119 HE2 LYS 15 HE2 LYS 15 60.671 -10.784 5.341 120 HE3 LYS 15 HE1 LYS 15 59.379 -10.623 6.530 121 HZ1 LYS 15 HZ1 LYS 15 57.898 -11.828 5.011 122 HZ2 LYS 15 HZ2 LYS 15 59.249 -12.723 5.431 123 HZ3 LYS 15 HZ3 LYS 15 59.170 -12.032 3.911 124 H SER 16 HN SER 16 55.510 -7.672 1.316 125 HA SER 16 HA SER 16 54.913 -5.040 0.775 126 HB2 SER 16 HB2 SER 16 53.087 -7.418 0.476 127 HB3 SER 16 HB1 SER 16 53.072 -5.921 -0.464 128 HG SER 16 HG SER 16 54.310 -6.982 -1.750 129 H GLU 17 HN GLU 17 53.690 -7.111 3.320 130 HA GLU 17 HA GLU 17 51.438 -5.390 3.897 131 HB2 GLU 17 HB2 GLU 17 51.039 -6.840 5.805 132 HB3 GLU 17 HB1 GLU 17 51.334 -7.806 4.363 133 HG2 GLU 17 HG2 GLU 17 53.551 -8.344 5.105 134 HG3 GLU 17 HG1 GLU 17 53.431 -7.192 6.430 135 H ARG 18 HN ARG 18 54.737 -5.364 4.655 136 HA ARG 18 HA ARG 18 54.306 -3.943 7.196 137 HB2 ARG 18 HB2 ARG 18 55.414 -6.134 7.348 138 HB3 ARG 18 HB1 ARG 18 56.651 -5.577 6.238 139 HG2 ARG 18 HG2 ARG 18 57.357 -3.929 7.850 140 HG3 ARG 18 HG1 ARG 18 56.118 -4.476 8.980 141 HD2 ARG 18 HD2 ARG 18 57.111 -6.600 9.141 142 HD3 ARG 18 HD1 ARG 18 58.264 -6.241 7.849 143 HE ARG 18 HE ARG 18 58.653 -4.286 9.734 144 HH11 ARG 18 HH11 ARG 18 58.816 -7.812 9.815 145 HH12 ARG 18 HH12 ARG 18 59.998 -7.856 11.029 146 HH21 ARG 18 HH21 ARG 18 60.233 -4.310 11.296 147 HH22 ARG 18 HH22 ARG 18 60.858 -5.774 11.917 148 H ILE 19 HN ILE 19 54.563 -3.056 4.259 149 HA ILE 19 HA ILE 19 56.963 -1.796 3.727 150 HB ILE 19 HB ILE 19 54.188 -1.051 2.789 151 HG12 ILE 19 HG12 ILE 19 54.989 -3.288 2.207 152 HG13 ILE 19 HG11 ILE 19 54.789 -2.299 0.773 153 HG21 ILE 19 HG21 ILE 19 56.826 -0.076 1.681 154 HG22 ILE 19 HG22 ILE 19 55.631 0.916 2.517 155 HG23 ILE 19 HG23 ILE 19 55.242 0.200 0.953 156 HD11 ILE 19 HD11 ILE 19 57.399 -2.945 2.148 157 HD12 ILE 19 HD12 ILE 19 57.207 -1.963 0.692 158 HD13 ILE 19 HD13 ILE 19 56.791 -3.674 0.668 159 H SER 20 HN SER 20 54.237 -0.371 5.522 160 HA SER 20 HA SER 20 55.248 2.220 5.725 161 HB2 SER 20 HB2 SER 20 53.578 0.701 7.717 162 HB3 SER 20 HB1 SER 20 53.693 2.454 7.567 163 HG SER 20 HG SER 20 52.192 2.324 6.182 164 H ASP 21 HN ASP 21 55.666 -0.568 7.882 165 HA ASP 21 HA ASP 21 57.213 0.677 9.882 166 HB2 ASP 21 HB2 ASP 21 56.179 -1.424 10.346 167 HB3 ASP 21 HB1 ASP 21 56.954 -2.194 8.975 168 H ILE 22 HN ILE 22 58.058 -1.128 7.038 169 HA ILE 22 HA ILE 22 60.860 -1.070 7.439 170 HB ILE 22 HB ILE 22 59.296 -1.555 4.887 171 HG12 ILE 22 HG12 ILE 22 60.377 -3.492 6.933 172 HG13 ILE 22 HG11 ILE 22 58.701 -2.971 6.809 173 HG21 ILE 22 HG21 ILE 22 61.679 -1.070 4.460 174 HG22 ILE 22 HG22 ILE 22 61.305 -2.766 4.147 175 HG23 ILE 22 HG23 ILE 22 62.135 -2.306 5.632 176 HD11 ILE 22 HD11 ILE 22 58.653 -3.951 4.524 177 HD12 ILE 22 HD12 ILE 22 58.930 -5.109 5.824 178 HD13 ILE 22 HD13 ILE 22 60.287 -4.558 4.842 179 H SER 23 HN SER 23 58.669 1.025 5.583 180 HA SER 23 HA SER 23 60.638 2.550 4.317 181 HB2 SER 23 HB2 SER 23 58.156 2.530 3.788 182 HB3 SER 23 HB1 SER 23 57.900 3.516 5.221 183 HG SER 23 HG SER 23 59.281 5.106 4.233 184 H THR 24 HN THR 24 59.319 2.680 7.551 185 HA THR 24 HA THR 24 60.281 5.299 8.202 186 HB THR 24 HB THR 24 59.426 3.019 10.016 187 HG1 THR 24 HG1 THR 24 57.673 3.497 8.719 188 HG21 THR 24 HG21 THR 24 58.935 4.797 11.660 189 HG22 THR 24 HG22 THR 24 59.535 6.011 10.529 190 HG23 THR 24 HG23 THR 24 60.640 4.820 11.206 191 H GLN 25 HN GLN 25 61.348 2.060 8.427 192 HA GLN 25 HA GLN 25 63.619 2.482 10.060 193 HB2 GLN 25 HB2 GLN 25 62.235 0.354 8.711 194 HB3 GLN 25 HB1 GLN 25 63.954 0.096 8.699 195 HG2 GLN 25 HG2 GLN 25 64.064 0.004 11.053 196 HG3 GLN 25 HG1 GLN 25 62.534 0.855 11.237 197 HE21 GLN 25 HE21 GLN 25 61.114 -0.707 9.382 198 HE22 GLN 25 HE22 GLN 25 60.783 -2.218 10.097 199 H LEU 26 HN LEU 26 63.121 2.163 6.527 200 HA LEU 26 HA LEU 26 65.842 2.251 5.909 201 HB2 LEU 26 HB2 LEU 26 63.431 2.850 4.208 202 HB3 LEU 26 HB1 LEU 26 65.049 2.522 3.657 203 HG LEU 26 HG LEU 26 63.221 0.571 5.031 204 HD11 LEU 26 HD11 LEU 26 62.643 1.049 2.710 205 HD12 LEU 26 HD12 LEU 26 63.207 -0.601 2.927 206 HD13 LEU 26 HD13 LEU 26 64.279 0.611 2.219 207 HD21 LEU 26 HD21 LEU 26 65.465 0.100 5.721 208 HD22 LEU 26 HD22 LEU 26 66.036 0.306 4.076 209 HD23 LEU 26 HD23 LEU 26 65.018 -1.090 4.484 210 H ASN 27 HN ASN 27 63.267 4.704 6.112 211 HA ASN 27 HA ASN 27 64.828 6.786 4.974 212 HB2 ASN 27 HB2 ASN 27 62.361 6.472 4.764 213 HB3 ASN 27 HB1 ASN 27 62.221 6.788 6.473 214 HD21 ASN 27 HD21 ASN 27 60.826 8.368 5.941 215 HD22 ASN 27 HD22 ASN 27 61.341 9.927 5.429 216 H ALA 28 HN ALA 28 65.265 5.287 7.777 217 HA ALA 28 HA ALA 28 65.782 7.740 9.304 218 HB1 ALA 28 HB1 ALA 28 65.514 4.909 10.290 219 HB2 ALA 28 HB2 ALA 28 64.301 6.182 10.436 220 HB3 ALA 28 HB3 ALA 28 65.833 6.321 11.300 221 H PHE 29 HN PHE 29 67.379 5.656 7.286 222 HA PHE 29 HA PHE 29 69.712 5.357 8.849 223 HB2 PHE 29 HB2 PHE 29 68.744 4.624 6.180 224 HB3 PHE 29 HB1 PHE 29 70.472 4.525 6.399 225 HD1 PHE 29 HD1 PHE 29 70.629 3.373 9.113 226 HD2 PHE 29 HD2 PHE 29 67.853 2.581 5.989 227 HE1 PHE 29 HE1 PHE 29 70.199 1.146 10.061 228 HE2 PHE 29 HE2 PHE 29 67.411 0.359 6.941 229 HZ PHE 29 HZ PHE 29 68.587 -0.361 8.977 230 HA PRO 30 HA PRO 30 71.827 9.087 8.422 231 HB2 PRO 30 HB2 PRO 30 74.086 7.647 7.129 232 HB3 PRO 30 HB1 PRO 30 74.103 8.766 8.496 233 HG2 PRO 30 HG2 PRO 30 74.278 6.176 8.947 234 HG3 PRO 30 HG1 PRO 30 73.238 7.182 9.969 235 HD2 PRO 30 HD2 PRO 30 72.479 5.298 7.772 236 HD3 PRO 30 HD1 PRO 30 71.664 5.600 9.316 237 H GLY 31 HN GLY 31 71.928 7.368 5.547 238 HA2 GLY 31 HA2 GLY 31 71.701 9.931 4.093 239 HA3 GLY 31 HA1 GLY 31 72.929 8.788 3.556 240 H CYS 32 HN CYS 32 69.859 7.643 4.718 241 HA CYS 32 HA CYS 32 69.307 6.775 1.990 242 HB2 CYS 32 HB2 CYS 32 68.573 5.613 4.629 243 HB3 CYS 32 HB1 CYS 32 68.221 4.880 3.085 244 HG CYS 32 HG CYS 32 71.023 4.697 2.445 245 H GLU 33 HN GLU 33 67.582 7.784 1.133 246 HA GLU 33 HA GLU 33 65.366 8.477 2.927 247 HB2 GLU 33 HB2 GLU 33 66.512 10.519 2.186 248 HB3 GLU 33 HB1 GLU 33 66.345 10.022 0.517 249 HG2 GLU 33 HG2 GLU 33 63.883 10.104 0.778 250 HG3 GLU 33 HG1 GLU 33 64.120 10.698 2.408 251 H VAL 34 HN VAL 34 63.420 7.771 2.305 252 HA VAL 34 HA VAL 34 63.289 6.022 0.015 253 HB VAL 34 HB VAL 34 61.085 6.805 1.953 254 HG11 VAL 34 HG11 VAL 34 60.006 4.728 1.217 255 HG12 VAL 34 HG12 VAL 34 61.315 4.459 0.068 256 HG13 VAL 34 HG13 VAL 34 60.244 5.846 -0.131 257 HG21 VAL 34 HG21 VAL 34 62.870 4.380 2.034 258 HG22 VAL 34 HG22 VAL 34 61.607 4.810 3.201 259 HG23 VAL 34 HG23 VAL 34 63.052 5.822 3.019 260 H ALA 35 HN ALA 35 62.821 6.787 -1.895 261 HA ALA 35 HA ALA 35 61.657 9.437 -2.177 262 HB1 ALA 35 HB1 ALA 35 63.629 8.848 -3.528 263 HB2 ALA 35 HB2 ALA 35 62.240 9.234 -4.542 264 HB3 ALA 35 HB3 ALA 35 62.712 7.555 -4.297 265 H VAL 36 HN VAL 36 61.070 6.186 -3.478 266 HA VAL 36 HA VAL 36 58.221 6.860 -3.667 267 HB VAL 36 HB VAL 36 59.787 5.135 -5.622 268 HG11 VAL 36 HG11 VAL 36 57.510 4.335 -5.341 269 HG12 VAL 36 HG12 VAL 36 57.709 5.069 -6.935 270 HG13 VAL 36 HG13 VAL 36 56.882 5.952 -5.660 271 HG21 VAL 36 HG21 VAL 36 60.282 7.507 -5.941 272 HG22 VAL 36 HG22 VAL 36 58.558 7.865 -6.044 273 HG23 VAL 36 HG23 VAL 36 59.327 6.885 -7.287 274 H SER 37 HN SER 37 57.100 5.570 -2.369 275 HA SER 37 HA SER 37 58.109 2.876 -1.848 276 HB2 SER 37 HB2 SER 37 56.694 3.072 0.260 277 HB3 SER 37 HB1 SER 37 58.107 4.129 0.199 278 HG SER 37 HG SER 37 55.406 4.790 -0.317 279 H ASP 38 HN ASP 38 56.983 1.449 -3.089 280 HA ASP 38 HA ASP 38 54.157 2.071 -3.549 281 HB2 ASP 38 HB2 ASP 38 55.544 2.121 -5.618 282 HB3 ASP 38 HB1 ASP 38 55.962 0.422 -5.338 283 H ALA 39 HN ALA 39 53.367 1.098 -1.851 284 HA ALA 39 HA ALA 39 54.075 -1.299 -0.720 285 HB1 ALA 39 HB1 ALA 39 51.999 -1.247 0.498 286 HB2 ALA 39 HB2 ALA 39 51.302 -0.124 -0.670 287 HB3 ALA 39 HB3 ALA 39 52.640 0.391 0.356 288 HA PRO 40 HA PRO 40 50.443 -3.473 -3.512 289 HB2 PRO 40 HB2 PRO 40 50.904 -2.567 -6.120 290 HB3 PRO 40 HB1 PRO 40 49.537 -2.090 -5.103 291 HG2 PRO 40 HG2 PRO 40 52.218 -0.802 -5.384 292 HG3 PRO 40 HG1 PRO 40 50.703 0.058 -5.531 293 HD2 PRO 40 HD2 PRO 40 51.907 0.265 -3.305 294 HD3 PRO 40 HD1 PRO 40 50.251 -0.385 -3.156 295 H SER 41 HN SER 41 53.585 -2.372 -4.766 296 HA SER 41 HA SER 41 54.109 -4.995 -5.919 297 HB2 SER 41 HB2 SER 41 55.838 -2.528 -5.894 298 HB3 SER 41 HB1 SER 41 56.030 -3.949 -6.922 299 HG SER 41 HG SER 41 54.218 -1.845 -7.069 300 H GLY 42 HN GLY 42 54.757 -3.277 -3.033 301 HA2 GLY 42 HA2 GLY 42 55.910 -3.887 -1.147 302 HA3 GLY 42 HA1 GLY 42 56.338 -5.397 -1.941 303 H GLN 43 HN GLN 43 56.975 -2.330 -3.433 304 HA GLN 43 HA GLN 43 59.848 -2.785 -3.075 305 HB2 GLN 43 HB2 GLN 43 58.304 -1.798 -5.443 306 HB3 GLN 43 HB1 GLN 43 60.051 -1.667 -5.303 307 HG2 GLN 43 HG2 GLN 43 60.341 -3.999 -5.314 308 HG3 GLN 43 HG1 GLN 43 58.620 -4.278 -5.049 309 HE21 GLN 43 HE21 GLN 43 59.693 -1.845 -7.286 310 HE22 GLN 43 HE22 GLN 43 59.211 -2.696 -8.701 311 H LEU 44 HN LEU 44 61.050 -1.145 -2.451 312 HA LEU 44 HA LEU 44 59.841 1.529 -2.370 313 HB2 LEU 44 HB2 LEU 44 61.798 0.460 -0.328 314 HB3 LEU 44 HB1 LEU 44 60.989 2.003 -0.287 315 HG LEU 44 HG LEU 44 58.824 0.538 -0.111 316 HD11 LEU 44 HD11 LEU 44 59.806 -1.609 -0.480 317 HD12 LEU 44 HD12 LEU 44 59.198 -1.533 1.179 318 HD13 LEU 44 HD13 LEU 44 60.925 -1.370 0.860 319 HD21 LEU 44 HD21 LEU 44 59.617 2.086 1.601 320 HD22 LEU 44 HD22 LEU 44 60.722 0.847 2.204 321 HD23 LEU 44 HD23 LEU 44 58.984 0.605 2.313 322 H ILE 45 HN ILE 45 61.049 3.063 -3.271 323 HA ILE 45 HA ILE 45 63.733 2.382 -4.194 324 HB ILE 45 HB ILE 45 61.913 4.738 -4.802 325 HG12 ILE 45 HG12 ILE 45 61.277 2.614 -5.909 326 HG13 ILE 45 HG11 ILE 45 61.786 3.840 -7.067 327 HG21 ILE 45 HG21 ILE 45 64.203 5.521 -4.801 328 HG22 ILE 45 HG22 ILE 45 63.575 5.469 -6.448 329 HG23 ILE 45 HG23 ILE 45 64.679 4.214 -5.886 330 HD11 ILE 45 HD11 ILE 45 63.421 1.505 -6.094 331 HD12 ILE 45 HD12 ILE 45 63.974 2.741 -7.216 332 HD13 ILE 45 HD13 ILE 45 62.654 1.662 -7.676 333 H VAL 46 HN VAL 46 65.333 2.940 -2.965 334 HA VAL 46 HA VAL 46 64.996 5.199 -1.117 335 HB VAL 46 HB VAL 46 66.656 2.694 -0.681 336 HG11 VAL 46 HG11 VAL 46 67.676 4.662 0.345 337 HG12 VAL 46 HG12 VAL 46 67.053 3.568 1.580 338 HG13 VAL 46 HG13 VAL 46 66.158 5.029 1.161 339 HG21 VAL 46 HG21 VAL 46 64.305 2.189 -0.425 340 HG22 VAL 46 HG22 VAL 46 64.092 3.595 0.611 341 HG23 VAL 46 HG23 VAL 46 65.064 2.236 1.172 342 H VAL 47 HN VAL 47 66.278 6.813 -1.617 343 HA VAL 47 HA VAL 47 68.554 6.278 -3.346 344 HB VAL 47 HB VAL 47 67.372 8.959 -2.526 345 HG11 VAL 47 HG11 VAL 47 69.340 8.246 -4.705 346 HG12 VAL 47 HG12 VAL 47 69.719 9.099 -3.210 347 HG13 VAL 47 HG13 VAL 47 68.669 9.850 -4.410 348 HG21 VAL 47 HG21 VAL 47 65.747 7.708 -3.818 349 HG22 VAL 47 HG22 VAL 47 66.964 7.349 -5.040 350 HG23 VAL 47 HG23 VAL 47 66.425 9.008 -4.805 351 H VAL 48 HN VAL 48 70.514 6.275 -2.550 352 HA VAL 48 HA VAL 48 70.838 7.168 0.218 353 HB VAL 48 HB VAL 48 72.284 4.875 -1.122 354 HG11 VAL 48 HG11 VAL 48 73.654 5.924 0.575 355 HG12 VAL 48 HG12 VAL 48 73.088 4.358 1.156 356 HG13 VAL 48 HG13 VAL 48 72.329 5.838 1.735 357 HG21 VAL 48 HG21 VAL 48 69.973 4.285 -0.766 358 HG22 VAL 48 HG22 VAL 48 70.049 4.852 0.895 359 HG23 VAL 48 HG23 VAL 48 70.983 3.437 0.408 360 H GLU 49 HN GLU 49 72.164 8.685 0.497 361 HA GLU 49 HA GLU 49 74.258 9.332 -1.457 362 HB2 GLU 49 HB2 GLU 49 72.782 10.889 0.636 363 HB3 GLU 49 HB1 GLU 49 74.371 11.395 0.118 364 HG2 GLU 49 HG2 GLU 49 72.769 12.679 -0.974 365 HG3 GLU 49 HG1 GLU 49 73.527 11.649 -2.148 366 H ALA 50 HN ALA 50 76.363 9.094 -0.767 367 HA ALA 50 HA ALA 50 76.934 9.298 2.022 368 HB1 ALA 50 HB1 ALA 50 77.631 6.747 0.561 369 HB2 ALA 50 HB2 ALA 50 76.410 6.898 1.822 370 HB3 ALA 50 HB3 ALA 50 78.113 7.160 2.206 371 H GLU 51 HN GLU 51 79.216 9.247 2.419 372 HA GLU 51 HA GLU 51 80.538 10.872 0.461 373 HB2 GLU 51 HB2 GLU 51 80.627 11.381 2.850 374 HB3 GLU 51 HB1 GLU 51 81.466 9.866 3.146 375 HG2 GLU 51 HG2 GLU 51 82.996 11.759 3.170 376 HG3 GLU 51 HG1 GLU 51 83.367 10.654 1.848 377 H ASP 52 HN ASP 52 81.819 8.106 2.281 378 HA ASP 52 HA ASP 52 83.654 7.569 0.102 379 HB2 ASP 52 HB2 ASP 52 83.447 6.406 2.873 380 HB3 ASP 52 HB1 ASP 52 84.606 5.840 1.679 381 H SER 53 HN SER 53 84.008 5.421 -0.734 382 HA SER 53 HA SER 53 81.592 4.359 -1.728 383 HB2 SER 53 HB2 SER 53 84.344 3.119 -1.826 384 HB3 SER 53 HB1 SER 53 83.011 2.858 -2.947 385 HG SER 53 HG SER 53 83.233 4.931 -3.715 386 H GLU 54 HN GLU 54 83.966 3.224 0.623 387 HA GLU 54 HA GLU 54 82.703 0.734 1.083 388 HB2 GLU 54 HB2 GLU 54 85.077 1.204 1.543 389 HB3 GLU 54 HB1 GLU 54 84.586 2.281 2.842 390 HG2 GLU 54 HG2 GLU 54 83.656 0.441 4.082 391 HG3 GLU 54 HG1 GLU 54 83.988 -0.665 2.749 392 H THR 55 HN THR 55 82.611 3.884 2.698 393 HA THR 55 HA THR 55 80.963 3.284 4.816 394 HB THR 55 HB THR 55 80.997 5.820 3.161 395 HG1 THR 55 HG1 THR 55 82.624 5.298 5.438 396 HG21 THR 55 HG21 THR 55 80.458 6.906 5.285 397 HG22 THR 55 HG22 THR 55 80.433 5.332 6.093 398 HG23 THR 55 HG23 THR 55 79.228 5.716 4.863 399 H LEU 56 HN LEU 56 80.193 4.208 1.470 400 HA LEU 56 HA LEU 56 77.416 4.266 1.617 401 HB2 LEU 56 HB2 LEU 56 78.712 5.065 -0.316 402 HB3 LEU 56 HB1 LEU 56 79.205 3.430 -0.675 403 HG LEU 56 HG LEU 56 76.844 2.855 -1.173 404 HD11 LEU 56 HD11 LEU 56 75.234 4.645 -1.515 405 HD12 LEU 56 HD12 LEU 56 76.390 5.817 -0.875 406 HD13 LEU 56 HD13 LEU 56 75.741 4.554 0.170 407 HD21 LEU 56 HD21 LEU 56 77.990 5.150 -2.761 408 HD22 LEU 56 HD22 LEU 56 76.769 4.011 -3.326 409 HD23 LEU 56 HD23 LEU 56 78.398 3.446 -2.960 410 H ILE 57 HN ILE 57 79.579 1.592 0.727 411 HA ILE 57 HA ILE 57 77.685 -0.409 0.301 412 HB ILE 57 HB ILE 57 80.516 -0.702 1.363 413 HG12 ILE 57 HG12 ILE 57 79.446 -0.952 -1.458 414 HG13 ILE 57 HG11 ILE 57 80.324 0.437 -0.833 415 HG21 ILE 57 HG21 ILE 57 78.711 -2.787 0.119 416 HG22 ILE 57 HG22 ILE 57 79.216 -2.728 1.807 417 HG23 ILE 57 HG23 ILE 57 80.407 -3.022 0.539 418 HD11 ILE 57 HD11 ILE 57 82.296 -0.958 -0.491 419 HD12 ILE 57 HD12 ILE 57 81.759 -0.997 -2.170 420 HD13 ILE 57 HD13 ILE 57 81.404 -2.352 -1.097 421 H GLN 58 HN GLN 58 79.417 0.406 3.275 422 HA GLN 58 HA GLN 58 78.263 -1.570 4.908 423 HB2 GLN 58 HB2 GLN 58 79.444 1.106 5.641 424 HB3 GLN 58 HB1 GLN 58 79.044 -0.149 6.805 425 HG2 GLN 58 HG2 GLN 58 80.639 -1.657 5.731 426 HG3 GLN 58 HG1 GLN 58 81.028 -0.414 4.553 427 HE21 GLN 58 HE21 GLN 58 80.948 1.725 6.590 428 HE22 GLN 58 HE22 GLN 58 82.407 1.530 7.485 429 H THR 59 HN THR 59 77.196 1.689 4.121 430 HA THR 59 HA THR 59 75.087 1.822 6.007 431 HB THR 59 HB THR 59 75.281 3.213 3.313 432 HG1 THR 59 HG1 THR 59 77.107 3.682 4.608 433 HG21 THR 59 HG21 THR 59 73.050 3.365 4.331 434 HG22 THR 59 HG22 THR 59 73.862 4.935 4.374 435 HG23 THR 59 HG23 THR 59 73.763 3.951 5.832 436 H ILE 60 HN ILE 60 75.312 0.735 2.661 437 HA ILE 60 HA ILE 60 72.577 0.125 2.334 438 HB ILE 60 HB ILE 60 75.007 -0.902 0.839 439 HG12 ILE 60 HG12 ILE 60 73.057 1.301 0.123 440 HG13 ILE 60 HG11 ILE 60 74.649 1.560 0.823 441 HG21 ILE 60 HG21 ILE 60 73.061 -2.390 0.494 442 HG22 ILE 60 HG22 ILE 60 73.424 -1.481 -0.974 443 HG23 ILE 60 HG23 ILE 60 72.074 -0.996 0.051 444 HD11 ILE 60 HD11 ILE 60 74.094 0.276 -1.836 445 HD12 ILE 60 HD12 ILE 60 75.683 0.582 -1.145 446 HD13 ILE 60 HD13 ILE 60 74.629 1.936 -1.581 447 H GLU 61 HN GLU 61 75.327 -1.718 3.549 448 HA GLU 61 HA GLU 61 73.964 -4.180 3.712 449 HB2 GLU 61 HB2 GLU 61 76.306 -3.153 5.311 450 HB3 GLU 61 HB1 GLU 61 75.680 -4.791 5.446 451 HG2 GLU 61 HG2 GLU 61 76.110 -5.046 2.986 452 HG3 GLU 61 HG1 GLU 61 76.934 -3.488 3.059 453 H SER 62 HN SER 62 74.143 -1.430 5.849 454 HA SER 62 HA SER 62 72.815 -2.592 8.042 455 HB2 SER 62 HB2 SER 62 74.087 -0.381 8.059 456 HB3 SER 62 HB1 SER 62 72.719 0.308 7.192 457 HG SER 62 HG SER 62 72.128 -1.083 9.499 458 H VAL 63 HN VAL 63 71.717 -0.941 5.148 459 HA VAL 63 HA VAL 63 68.950 -0.899 5.602 460 HB VAL 63 HB VAL 63 70.495 -1.170 2.991 461 HG11 VAL 63 HG11 VAL 63 68.492 -0.366 1.854 462 HG12 VAL 63 HG12 VAL 63 67.627 -0.367 3.389 463 HG13 VAL 63 HG13 VAL 63 68.170 -1.890 2.692 464 HG21 VAL 63 HG21 VAL 63 69.311 1.251 4.346 465 HG22 VAL 63 HG22 VAL 63 70.097 1.239 2.767 466 HG23 VAL 63 HG23 VAL 63 71.027 0.861 4.216 467 H ARG 64 HN ARG 64 71.070 -3.333 4.207 468 HA ARG 64 HA ARG 64 69.021 -5.213 3.623 469 HB2 ARG 64 HB2 ARG 64 72.016 -5.451 3.755 470 HB3 ARG 64 HB1 ARG 64 70.984 -6.829 3.405 471 HG2 ARG 64 HG2 ARG 64 70.106 -5.711 1.446 472 HG3 ARG 64 HG1 ARG 64 71.052 -4.275 1.819 473 HD2 ARG 64 HD2 ARG 64 73.097 -5.403 1.379 474 HD3 ARG 64 HD1 ARG 64 72.291 -6.973 1.311 475 HE ARG 64 HE ARG 64 71.088 -6.031 -0.666 476 HH11 ARG 64 HH11 ARG 64 74.362 -4.918 0.115 477 HH12 ARG 64 HH12 ARG 64 74.804 -4.643 -1.484 478 HH21 ARG 64 HH21 ARG 64 71.683 -5.584 -2.872 479 HH22 ARG 64 HH22 ARG 64 73.269 -5.035 -3.238 480 H ASN 65 HN ASN 65 70.431 -4.325 6.543 481 HA ASN 65 HA ASN 65 70.039 -6.881 7.794 482 HB2 ASN 65 HB2 ASN 65 71.050 -4.235 8.780 483 HB3 ASN 65 HB1 ASN 65 70.700 -5.558 9.886 484 HD21 ASN 65 HD21 ASN 65 73.235 -4.230 9.231 485 HD22 ASN 65 HD22 ASN 65 74.271 -5.474 8.652 486 H VAL 66 HN VAL 66 67.941 -4.556 6.864 487 HA VAL 66 HA VAL 66 66.329 -4.554 9.234 488 HB VAL 66 HB VAL 66 65.567 -3.760 6.405 489 HG11 VAL 66 HG11 VAL 66 63.608 -4.362 7.763 490 HG12 VAL 66 HG12 VAL 66 63.632 -2.615 7.478 491 HG13 VAL 66 HG13 VAL 66 64.145 -3.277 9.033 492 HG21 VAL 66 HG21 VAL 66 65.784 -1.449 7.242 493 HG22 VAL 66 HG22 VAL 66 67.308 -2.334 7.286 494 HG23 VAL 66 HG23 VAL 66 66.392 -2.080 8.773 495 H GLU 67 HN GLU 67 64.684 -5.818 9.732 496 HA GLU 67 HA GLU 67 64.908 -8.491 8.921 497 HB2 GLU 67 HB2 GLU 67 62.910 -7.122 10.664 498 HB3 GLU 67 HB1 GLU 67 63.335 -8.833 10.642 499 HG2 GLU 67 HG2 GLU 67 65.411 -6.835 10.937 500 HG3 GLU 67 HG1 GLU 67 64.446 -7.183 12.378 501 H GLY 68 HN GLY 68 62.761 -5.933 8.101 502 HA2 GLY 68 HA2 GLY 68 60.807 -7.746 6.962 503 HA3 GLY 68 HA1 GLY 68 60.690 -5.993 6.973 504 H VAL 69 HN VAL 69 63.753 -6.658 6.005 505 HA VAL 69 HA VAL 69 62.953 -6.190 3.243 506 HB VAL 69 HB VAL 69 65.710 -5.871 4.530 507 HG11 VAL 69 HG11 VAL 69 66.379 -4.860 2.436 508 HG12 VAL 69 HG12 VAL 69 64.835 -5.334 1.716 509 HG13 VAL 69 HG13 VAL 69 65.974 -6.566 2.247 510 HG21 VAL 69 HG21 VAL 69 65.337 -3.505 4.171 511 HG22 VAL 69 HG22 VAL 69 64.017 -4.175 5.148 512 HG23 VAL 69 HG23 VAL 69 63.772 -3.847 3.441 513 H LEU 70 HN LEU 70 63.422 -7.456 1.573 514 HA LEU 70 HA LEU 70 64.233 -10.190 2.221 515 HB2 LEU 70 HB2 LEU 70 62.796 -9.070 -0.182 516 HB3 LEU 70 HB1 LEU 70 63.093 -10.771 0.147 517 HG LEU 70 HG LEU 70 61.339 -8.966 1.808 518 HD11 LEU 70 HD11 LEU 70 60.619 -11.069 -0.218 519 HD12 LEU 70 HD12 LEU 70 60.396 -9.327 -0.391 520 HD13 LEU 70 HD13 LEU 70 59.491 -10.215 0.835 521 HD21 LEU 70 HD21 LEU 70 61.730 -11.958 1.877 522 HD22 LEU 70 HD22 LEU 70 60.616 -11.024 2.881 523 HD23 LEU 70 HD23 LEU 70 62.354 -10.811 3.061 524 H ALA 71 HN ALA 71 64.431 -7.832 -0.447 525 HA ALA 71 HA ALA 71 67.242 -8.501 -0.783 526 HB1 ALA 71 HB1 ALA 71 66.990 -8.758 -3.187 527 HB2 ALA 71 HB2 ALA 71 65.245 -8.585 -3.035 528 HB3 ALA 71 HB3 ALA 71 66.058 -9.987 -2.327 529 H VAL 72 HN VAL 72 68.362 -6.763 -1.148 530 HA VAL 72 HA VAL 72 66.980 -4.326 -2.008 531 HB VAL 72 HB VAL 72 69.660 -4.608 -0.601 532 HG11 VAL 72 HG11 VAL 72 68.100 -2.145 -1.331 533 HG12 VAL 72 HG12 VAL 72 69.608 -2.680 -2.074 534 HG13 VAL 72 HG13 VAL 72 69.587 -2.173 -0.381 535 HG21 VAL 72 HG21 VAL 72 68.560 -3.562 1.325 536 HG22 VAL 72 HG22 VAL 72 67.819 -5.102 0.912 537 HG23 VAL 72 HG23 VAL 72 67.026 -3.594 0.465 538 H SER 73 HN SER 73 67.171 -4.181 -4.133 539 HA SER 73 HA SER 73 69.534 -5.162 -5.442 540 HB2 SER 73 HB2 SER 73 66.985 -3.943 -6.485 541 HB3 SER 73 HB1 SER 73 68.234 -4.690 -7.500 542 HG SER 73 HG SER 73 67.584 -6.327 -5.499 543 H LEU 74 HN LEU 74 71.195 -3.920 -5.637 544 HA LEU 74 HA LEU 74 71.063 -1.122 -4.920 545 HB2 LEU 74 HB2 LEU 74 72.690 -2.985 -4.148 546 HB3 LEU 74 HB1 LEU 74 73.481 -2.713 -5.679 547 HG LEU 74 HG LEU 74 73.172 -0.672 -3.475 548 HD11 LEU 74 HD11 LEU 74 75.555 -2.284 -4.351 549 HD12 LEU 74 HD12 LEU 74 74.666 -2.458 -2.836 550 HD13 LEU 74 HD13 LEU 74 75.579 -0.985 -3.161 551 HD21 LEU 74 HD21 LEU 74 74.784 -0.558 -6.015 552 HD22 LEU 74 HD22 LEU 74 74.790 0.658 -4.733 553 HD23 LEU 74 HD23 LEU 74 73.329 0.376 -5.681 554 H VAL 75 HN VAL 75 70.618 0.295 -6.473 555 HA VAL 75 HA VAL 75 71.397 -0.249 -9.202 556 HB VAL 75 HB VAL 75 69.761 1.997 -8.005 557 HG11 VAL 75 HG11 VAL 75 70.140 1.235 -10.925 558 HG12 VAL 75 HG12 VAL 75 70.823 2.660 -10.138 559 HG13 VAL 75 HG13 VAL 75 69.078 2.518 -10.332 560 HG21 VAL 75 HG21 VAL 75 67.811 0.857 -8.995 561 HG22 VAL 75 HG22 VAL 75 68.637 -0.136 -7.791 562 HG23 VAL 75 HG23 VAL 75 68.868 -0.460 -9.506 563 H TYR 76 HN TYR 76 73.596 -0.050 -8.843 564 HA TYR 76 HA TYR 76 74.679 2.433 -9.576 565 HB2 TYR 76 HB2 TYR 76 74.492 2.832 -7.092 566 HB3 TYR 76 HB1 TYR 76 75.490 1.407 -6.830 567 HD1 TYR 76 HD2 TYR 76 75.533 4.724 -8.469 568 HD2 TYR 76 HD1 TYR 76 77.839 1.655 -6.665 569 HE1 TYR 76 HE2 TYR 76 77.511 6.175 -8.571 570 HE2 TYR 76 HE1 TYR 76 79.839 3.098 -6.757 571 HH TYR 76 HH TYR 76 80.686 5.053 -7.988 572 H HIS 77 HN HIS 77 76.306 1.857 -10.857 573 HA HIS 77 HA HIS 77 77.338 -0.873 -10.524 574 HB2 HIS 77 HB2 HIS 77 77.187 0.791 -13.052 575 HB3 HIS 77 HB1 HIS 77 77.817 -0.842 -12.947 576 HD1 HIS 77 HD1 HIS 77 74.735 1.010 -13.586 577 HD2 HIS 77 HD2 HIS 77 75.752 -2.796 -12.274 578 HE1 HIS 77 HE1 HIS 77 72.672 -0.406 -13.882 579 H GLN 78 HN GLN 78 79.476 -1.126 -10.277 580 HA GLN 78 HA GLN 78 81.063 1.257 -9.982 581 HB2 GLN 78 HB2 GLN 78 81.883 -1.647 -9.717 582 HB3 GLN 78 HB1 GLN 78 82.879 -0.267 -9.301 583 HG2 GLN 78 HG2 GLN 78 81.219 0.347 -7.560 584 HG3 GLN 78 HG1 GLN 78 80.328 -1.121 -7.956 585 HE21 GLN 78 HE21 GLN 78 83.871 -0.921 -7.891 586 HE22 GLN 78 HE22 GLN 78 84.056 -1.943 -6.535 587 H GLN 79 HN GLN 79 80.930 1.952 -12.148 588 HA GLN 79 HA GLN 79 82.302 0.331 -14.099 589 HB2 GLN 79 HB2 GLN 79 81.058 3.073 -14.345 590 HB3 GLN 79 HB1 GLN 79 81.863 2.243 -15.672 591 HG2 GLN 79 HG2 GLN 79 79.440 1.238 -14.195 592 HG3 GLN 79 HG1 GLN 79 79.431 2.009 -15.780 593 HE21 GLN 79 HE21 GLN 79 80.313 -0.859 -14.000 594 HE22 GLN 79 HE22 GLN 79 80.540 -1.868 -15.375 595 H GLU 80 HN GLU 80 84.190 0.151 -13.149 596 HA GLU 80 HA GLU 80 85.847 2.534 -13.106 597 HB2 GLU 80 HB2 GLU 80 87.198 1.222 -11.373 598 HB3 GLU 80 HB1 GLU 80 85.672 1.920 -10.862 599 HG2 GLU 80 HG2 GLU 80 84.606 -0.306 -11.182 600 HG3 GLU 80 HG1 GLU 80 86.196 -0.963 -11.560 601 H GLU 81 HN GLU 81 87.338 2.604 -14.463 602 HA GLU 81 HA GLU 81 88.053 0.330 -16.139 603 HB2 GLU 81 HB2 GLU 81 89.245 2.109 -17.467 604 HB3 GLU 81 HB1 GLU 81 87.506 2.337 -17.299 605 HG2 GLU 81 HG2 GLU 81 87.861 3.963 -15.540 606 HG3 GLU 81 HG1 GLU 81 89.606 3.732 -15.641 607 H GLN 82 HN GLN 82 89.293 2.225 -13.599 608 HA GLN 82 HA GLN 82 91.915 0.943 -13.821 609 HB2 GLN 82 HB2 GLN 82 92.072 3.325 -14.409 610 HB3 GLN 82 HB1 GLN 82 91.225 3.768 -12.944 611 HG2 GLN 82 HG2 GLN 82 93.611 4.232 -12.766 612 HG3 GLN 82 HG1 GLN 82 93.126 2.994 -11.613 613 HE21 GLN 82 HE21 GLN 82 94.895 3.667 -14.494 614 HE22 GLN 82 HE22 GLN 82 95.778 2.196 -14.557 615 H GLY 83 HN GLY 83 92.910 0.642 -11.701 616 HA2 GLY 83 HA2 GLY 83 90.928 -0.066 -9.719 617 HA3 GLY 83 HA1 GLY 83 92.663 -0.395 -9.642 618 H GLU 84 HN GLU 84 90.150 1.834 -8.906 619 HA GLU 84 HA GLU 84 91.961 3.908 -8.102 620 HB2 GLU 84 HB2 GLU 84 89.642 4.399 -8.989 621 HB3 GLU 84 HB1 GLU 84 89.002 3.755 -7.478 622 HG2 GLU 84 HG2 GLU 84 90.217 5.485 -6.241 623 HG3 GLU 84 HG1 GLU 84 90.820 6.139 -7.762 624 H GLU 85 HN GLU 85 93.040 2.330 -6.924 625 HA GLU 85 HA GLU 85 92.222 2.137 -4.093 626 HB2 GLU 85 HB2 GLU 85 92.400 -0.046 -5.296 627 HB3 GLU 85 HB1 GLU 85 94.036 0.362 -5.762 628 HG2 GLU 85 HG2 GLU 85 94.545 0.464 -3.279 629 HG3 GLU 85 HG1 GLU 85 92.978 -0.318 -3.046 630 H THR 86 HN THR 86 95.027 1.892 -6.226 631 HA THR 86 HA THR 86 96.133 4.332 -5.194 632 HB THR 86 HB THR 86 97.754 1.765 -5.417 633 HG1 THR 86 HG1 THR 86 96.186 2.735 -3.391 634 HG21 THR 86 HG21 THR 86 99.474 3.069 -4.243 635 HG22 THR 86 HG22 THR 86 98.403 4.470 -4.212 636 HG23 THR 86 HG23 THR 86 99.017 3.865 -5.749 637 HA PRO 87 HA PRO 87 96.097 3.896 -9.766 638 HB2 PRO 87 HB2 PRO 87 95.832 6.800 -9.804 639 HB3 PRO 87 HB1 PRO 87 94.695 5.581 -10.377 640 HG2 PRO 87 HG2 PRO 87 94.188 7.104 -8.202 641 HG3 PRO 87 HG1 PRO 87 93.617 5.436 -8.344 642 HD2 PRO 87 HD2 PRO 87 95.997 6.488 -6.852 643 HD3 PRO 87 HD1 PRO 87 94.769 5.302 -6.346 644 H ARG 88 HN ARG 88 98.375 4.912 -7.746 645 HA ARG 88 HA ARG 88 100.084 5.942 -9.885 646 HB2 ARG 88 HB2 ARG 88 100.096 6.635 -6.969 647 HB3 ARG 88 HB1 ARG 88 101.460 6.941 -8.027 648 HG2 ARG 88 HG2 ARG 88 100.021 8.365 -9.419 649 HG3 ARG 88 HG1 ARG 88 98.697 8.090 -8.281 650 HD2 ARG 88 HD2 ARG 88 99.860 10.201 -7.826 651 HD3 ARG 88 HD1 ARG 88 99.992 9.061 -6.489 652 HE ARG 88 HE ARG 88 102.245 8.658 -8.006 653 HH11 ARG 88 HH11 ARG 88 100.798 11.449 -6.395 654 HH12 ARG 88 HH12 ARG 88 102.280 12.184 -5.996 655 HH21 ARG 88 HH21 ARG 88 104.309 9.652 -7.477 656 HH22 ARG 88 HH22 ARG 88 104.327 11.149 -6.660 657 H SER 89 HN SER 89 101.997 5.085 -10.149 658 HA SER 89 HA SER 89 103.012 3.273 -8.161 659 HB2 SER 89 HB2 SER 89 101.819 1.863 -9.864 660 HB3 SER 89 HB1 SER 89 102.842 2.555 -11.120 661 HG SER 89 HG SER 89 103.659 1.007 -8.896 662 H HIS 90 HN HIS 90 103.861 4.255 -11.504 663 HA HIS 90 HA HIS 90 106.004 5.898 -10.484 664 HB2 HIS 90 HB2 HIS 90 106.829 3.484 -10.897 665 HB3 HIS 90 HB1 HIS 90 106.469 3.764 -12.590 666 HD1 HIS 90 HD1 HIS 90 109.294 3.575 -10.581 667 HD2 HIS 90 HD2 HIS 90 107.980 6.469 -13.265 668 HE1 HIS 90 HE1 HIS 90 111.340 4.841 -11.305 669 H HIS 91 HN HIS 91 105.947 7.700 -11.677 670 HA HIS 91 HA HIS 91 105.397 7.642 -14.477 671 HB2 HIS 91 HB2 HIS 91 103.074 7.869 -13.570 672 HB3 HIS 91 HB1 HIS 91 103.579 9.292 -12.667 673 HD1 HIS 91 HD1 HIS 91 103.541 11.530 -13.916 674 HD2 HIS 91 HD2 HIS 91 103.058 8.248 -16.421 675 HE1 HIS 91 HE1 HIS 91 102.954 12.458 -16.155 676 H HIS 92 HN HIS 92 105.560 9.840 -11.677 677 HA HIS 92 HA HIS 92 107.218 11.698 -12.949 678 HB2 HIS 92 HB2 HIS 92 107.759 12.545 -10.703 679 HB3 HIS 92 HB1 HIS 92 106.048 12.182 -10.792 680 HD1 HIS 92 HD1 HIS 92 108.800 11.823 -8.575 681 HD2 HIS 92 HD2 HIS 92 105.588 9.400 -9.605 682 HE1 HIS 92 HE1 HIS 92 108.507 10.208 -6.678 683 H HIS 93 HN HIS 93 109.398 11.856 -13.111 684 HA HIS 93 HA HIS 93 110.674 9.356 -13.444 685 HB2 HIS 93 HB2 HIS 93 111.898 12.109 -13.627 686 HB3 HIS 93 HB1 HIS 93 112.627 10.621 -14.200 687 HD1 HIS 93 HD1 HIS 93 111.679 9.647 -16.458 688 HD2 HIS 93 HD2 HIS 93 109.996 13.243 -15.243 689 HE1 HIS 93 HE1 HIS 93 110.431 10.551 -18.454 690 H HIS 94 HN HIS 94 111.586 8.223 -11.948 691 HA HIS 94 HA HIS 94 112.571 9.362 -9.497 692 HB2 HIS 94 HB2 HIS 94 111.612 7.081 -9.470 693 HB3 HIS 94 HB1 HIS 94 112.812 6.544 -10.633 694 HD1 HIS 94 HD1 HIS 94 112.444 7.435 -6.969 695 HD2 HIS 94 HD2 HIS 94 115.298 5.900 -9.572 696 HE1 HIS 94 HE1 HIS 94 114.310 6.581 -5.529 697 H HIS 95 HN HIS 95 114.375 10.466 -9.554 698 HA HIS 95 HA HIS 95 116.380 9.833 -11.582 699 HB2 HIS 95 HB2 HIS 95 116.063 12.280 -9.833 700 HB3 HIS 95 HB1 HIS 95 117.296 12.064 -11.070 701 HD1 HIS 95 HD1 HIS 95 113.888 13.328 -10.560 702 HD2 HIS 95 HD2 HIS 95 116.186 11.973 -13.754 703 HE1 HIS 95 HE1 HIS 95 112.779 14.191 -12.615 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 84.201 23.917 2.614 2 H2 MET 1 HT2 MET 1 83.850 22.505 3.457 3 H3 MET 1 HT3 MET 1 82.617 23.537 3.038 4 HA MET 1 HA MET 1 82.924 23.056 0.712 5 HB2 MET 1 HB2 MET 1 85.375 22.652 0.849 6 HB3 MET 1 HB1 MET 1 85.079 21.186 1.766 7 HG2 MET 1 HG2 MET 1 83.821 20.315 -0.229 8 HG3 MET 1 HG1 MET 1 84.417 21.712 -1.118 9 HE1 MET 1 HE1 MET 1 87.030 22.187 -1.517 10 HE2 MET 1 HE2 MET 1 88.315 21.099 -0.990 11 HE3 MET 1 HE3 MET 1 87.375 21.994 0.202 12 H HIS 2 HN HIS 2 81.538 21.366 -0.065 13 HA HIS 2 HA HIS 2 80.697 19.501 2.001 14 HB2 HIS 2 HB2 HIS 2 79.594 20.078 -0.753 15 HB3 HIS 2 HB1 HIS 2 79.011 18.758 0.242 16 HD1 HIS 2 HD1 HIS 2 76.991 19.333 1.586 17 HD2 HIS 2 HD2 HIS 2 79.270 22.670 0.674 18 HE1 HIS 2 HE1 HIS 2 75.702 21.309 2.457 19 H THR 3 HN THR 3 81.394 17.442 2.020 20 HA THR 3 HA THR 3 83.402 16.721 0.181 21 HB THR 3 HB THR 3 83.099 14.454 1.492 22 HG1 THR 3 HG1 THR 3 81.881 14.516 3.195 23 HG21 THR 3 HG21 THR 3 84.509 15.341 3.304 24 HG22 THR 3 HG22 THR 3 84.068 16.983 2.844 25 HG23 THR 3 HG23 THR 3 85.012 15.988 1.743 26 H ASN 4 HN ASN 4 83.388 15.251 -1.413 27 HA ASN 4 HA ASN 4 81.059 15.084 -2.966 28 HB2 ASN 4 HB2 ASN 4 83.729 13.729 -3.239 29 HB3 ASN 4 HB1 ASN 4 82.412 13.408 -4.355 30 HD21 ASN 4 HD21 ASN 4 81.373 16.111 -4.431 31 HD22 ASN 4 HD22 ASN 4 82.547 17.068 -5.237 32 H TRP 5 HN TRP 5 79.574 13.691 -3.236 33 HA TRP 5 HA TRP 5 79.720 11.225 -1.712 34 HB2 TRP 5 HB2 TRP 5 77.173 11.490 -1.589 35 HB3 TRP 5 HB1 TRP 5 78.122 12.488 -0.518 36 HD1 TRP 5 HD1 TRP 5 77.891 15.119 -0.807 37 HE1 TRP 5 HE1 TRP 5 76.373 16.609 -2.268 38 HE3 TRP 5 HE3 TRP 5 76.161 11.584 -3.845 39 HZ2 TRP 5 HZ2 TRP 5 74.628 16.266 -4.488 40 HZ3 TRP 5 HZ3 TRP 5 74.564 12.184 -5.683 41 HH2 TRP 5 HH2 TRP 5 73.817 14.489 -5.966 42 H GLN 6 HN GLN 6 78.475 9.525 -2.516 43 HA GLN 6 HA GLN 6 78.114 9.515 -5.447 44 HB2 GLN 6 HB2 GLN 6 78.228 7.148 -3.567 45 HB3 GLN 6 HB1 GLN 6 78.363 7.126 -5.314 46 HG2 GLN 6 HG2 GLN 6 80.559 8.245 -5.118 47 HG3 GLN 6 HG1 GLN 6 80.405 8.179 -3.365 48 HE21 GLN 6 HE21 GLN 6 79.109 5.508 -3.518 49 HE22 GLN 6 HE22 GLN 6 80.380 4.403 -3.901 50 H VAL 7 HN VAL 7 76.060 8.972 -6.170 51 HA VAL 7 HA VAL 7 74.124 8.457 -4.061 52 HB VAL 7 HB VAL 7 73.699 10.676 -4.885 53 HG11 VAL 7 HG11 VAL 7 73.476 9.505 -7.665 54 HG12 VAL 7 HG12 VAL 7 74.773 10.546 -7.079 55 HG13 VAL 7 HG13 VAL 7 73.141 11.182 -7.221 56 HG21 VAL 7 HG21 VAL 7 71.739 9.376 -4.337 57 HG22 VAL 7 HG22 VAL 7 71.660 8.755 -5.986 58 HG23 VAL 7 HG23 VAL 7 71.380 10.469 -5.674 59 H CYS 8 HN CYS 8 73.071 6.673 -4.191 60 HA CYS 8 HA CYS 8 72.749 5.387 -6.774 61 HB2 CYS 8 HB2 CYS 8 73.788 3.955 -4.294 62 HB3 CYS 8 HB1 CYS 8 73.414 3.209 -5.842 63 HG CYS 8 HG CYS 8 75.359 5.448 -6.720 64 H SER 9 HN SER 9 71.000 3.917 -6.774 65 HA SER 9 HA SER 9 69.004 4.597 -4.769 66 HB2 SER 9 HB2 SER 9 68.298 5.242 -6.923 67 HB3 SER 9 HB1 SER 9 68.767 3.708 -7.670 68 HG SER 9 HG SER 9 66.472 4.336 -7.031 69 H LEU 10 HN LEU 10 67.810 2.958 -3.882 70 HA LEU 10 HA LEU 10 68.892 0.247 -4.216 71 HB2 LEU 10 HB2 LEU 10 67.734 1.478 -1.752 72 HB3 LEU 10 HB1 LEU 10 68.343 -0.140 -1.885 73 HG LEU 10 HG LEU 10 70.016 2.356 -2.096 74 HD11 LEU 10 HD11 LEU 10 70.896 1.680 0.085 75 HD12 LEU 10 HD12 LEU 10 69.817 0.292 0.109 76 HD13 LEU 10 HD13 LEU 10 69.155 1.924 0.175 77 HD21 LEU 10 HD21 LEU 10 70.800 -0.560 -2.069 78 HD22 LEU 10 HD22 LEU 10 71.915 0.802 -1.993 79 HD23 LEU 10 HD23 LEU 10 70.934 0.552 -3.434 80 H VAL 11 HN VAL 11 67.409 -0.946 -5.103 81 HA VAL 11 HA VAL 11 64.603 -0.295 -4.668 82 HB VAL 11 HB VAL 11 65.854 -2.453 -6.410 83 HG11 VAL 11 HG11 VAL 11 62.966 -1.603 -6.177 84 HG12 VAL 11 HG12 VAL 11 63.649 -3.115 -5.579 85 HG13 VAL 11 HG13 VAL 11 63.607 -2.793 -7.311 86 HG21 VAL 11 HG21 VAL 11 66.234 -0.196 -7.260 87 HG22 VAL 11 HG22 VAL 11 64.507 0.139 -7.166 88 HG23 VAL 11 HG23 VAL 11 65.110 -1.080 -8.293 89 H VAL 12 HN VAL 12 64.061 -0.867 -2.728 90 HA VAL 12 HA VAL 12 65.033 -3.360 -1.628 91 HB VAL 12 HB VAL 12 63.458 -1.116 -0.342 92 HG11 VAL 12 HG11 VAL 12 64.794 -3.499 0.933 93 HG12 VAL 12 HG12 VAL 12 63.056 -3.283 0.747 94 HG13 VAL 12 HG13 VAL 12 63.972 -2.196 1.792 95 HG21 VAL 12 HG21 VAL 12 65.708 -0.413 -0.933 96 HG22 VAL 12 HG22 VAL 12 66.381 -1.830 -0.130 97 HG23 VAL 12 HG23 VAL 12 65.565 -0.586 0.816 98 H GLN 13 HN GLN 13 63.907 -5.039 -2.175 99 HA GLN 13 HA GLN 13 60.994 -4.928 -2.406 100 HB2 GLN 13 HB2 GLN 13 62.416 -6.189 -4.080 101 HB3 GLN 13 HB1 GLN 13 62.936 -7.226 -2.770 102 HG2 GLN 13 HG2 GLN 13 61.234 -8.377 -3.994 103 HG3 GLN 13 HG1 GLN 13 60.596 -7.923 -2.419 104 HE21 GLN 13 HE21 GLN 13 60.921 -5.705 -5.154 105 HE22 GLN 13 HE22 GLN 13 59.225 -5.504 -5.373 106 H ALA 14 HN ALA 14 59.829 -5.487 -0.627 107 HA ALA 14 HA ALA 14 61.146 -7.036 1.465 108 HB1 ALA 14 HB1 ALA 14 59.857 -4.345 1.897 109 HB2 ALA 14 HB2 ALA 14 61.583 -4.702 1.981 110 HB3 ALA 14 HB3 ALA 14 60.476 -5.417 3.154 111 H LYS 15 HN LYS 15 59.565 -7.497 3.246 112 HA LYS 15 HA LYS 15 57.251 -8.837 2.498 113 HB2 LYS 15 HB2 LYS 15 58.177 -7.610 5.055 114 HB3 LYS 15 HB1 LYS 15 56.509 -8.109 4.960 115 HG2 LYS 15 HG2 LYS 15 57.942 -9.736 6.056 116 HG3 LYS 15 HG1 LYS 15 57.212 -10.410 4.601 117 HD2 LYS 15 HD2 LYS 15 59.261 -10.315 3.457 118 HD3 LYS 15 HD1 LYS 15 59.978 -9.242 4.658 119 HE2 LYS 15 HE2 LYS 15 60.791 -11.567 4.841 120 HE3 LYS 15 HE1 LYS 15 59.976 -11.013 6.302 121 HZ1 LYS 15 HZ1 LYS 15 59.363 -13.270 5.700 122 HZ2 LYS 15 HZ2 LYS 15 58.806 -12.772 4.208 123 HZ3 LYS 15 HZ3 LYS 15 58.021 -12.266 5.613 124 H SER 16 HN SER 16 55.518 -8.031 1.505 125 HA SER 16 HA SER 16 54.855 -5.424 1.068 126 HB2 SER 16 HB2 SER 16 52.886 -7.676 1.239 127 HB3 SER 16 HB1 SER 16 52.919 -6.317 0.104 128 HG SER 16 HG SER 16 54.384 -7.286 -1.071 129 H GLU 17 HN GLU 17 53.915 -7.570 3.671 130 HA GLU 17 HA GLU 17 51.837 -5.941 4.745 131 HB2 GLU 17 HB2 GLU 17 51.807 -7.546 6.542 132 HB3 GLU 17 HB1 GLU 17 51.932 -8.382 4.997 133 HG2 GLU 17 HG2 GLU 17 54.430 -8.508 5.444 134 HG3 GLU 17 HG1 GLU 17 54.059 -7.960 7.070 135 H ARG 18 HN ARG 18 55.273 -5.884 5.048 136 HA ARG 18 HA ARG 18 55.071 -4.498 7.640 137 HB2 ARG 18 HB2 ARG 18 56.246 -6.724 7.565 138 HB3 ARG 18 HB1 ARG 18 57.416 -5.994 6.484 139 HG2 ARG 18 HG2 ARG 18 58.232 -4.566 8.190 140 HG3 ARG 18 HG1 ARG 18 56.929 -5.031 9.291 141 HD2 ARG 18 HD2 ARG 18 57.747 -7.335 9.284 142 HD3 ARG 18 HD1 ARG 18 59.039 -6.879 8.184 143 HE ARG 18 HE ARG 18 60.064 -5.650 9.934 144 HH11 ARG 18 HH11 ARG 18 57.262 -7.520 11.050 145 HH12 ARG 18 HH12 ARG 18 57.830 -7.695 12.632 146 HH21 ARG 18 HH21 ARG 18 60.849 -5.912 12.108 147 HH22 ARG 18 HH22 ARG 18 59.930 -6.746 13.274 148 H ILE 19 HN ILE 19 55.152 -3.768 4.596 149 HA ILE 19 HA ILE 19 57.417 -2.281 4.064 150 HB ILE 19 HB ILE 19 54.622 -2.085 2.954 151 HG12 ILE 19 HG12 ILE 19 57.262 -3.043 1.829 152 HG13 ILE 19 HG11 ILE 19 55.926 -4.063 2.327 153 HG21 ILE 19 HG21 ILE 19 56.989 -0.462 2.074 154 HG22 ILE 19 HG22 ILE 19 55.508 0.172 2.800 155 HG23 ILE 19 HG23 ILE 19 55.459 -0.573 1.199 156 HD11 ILE 19 HD11 ILE 19 56.013 -3.937 -0.019 157 HD12 ILE 19 HD12 ILE 19 55.991 -2.175 0.011 158 HD13 ILE 19 HD13 ILE 19 54.563 -3.089 0.529 159 H SER 20 HN SER 20 54.451 -1.144 5.681 160 HA SER 20 HA SER 20 55.045 1.550 5.782 161 HB2 SER 20 HB2 SER 20 53.630 -0.136 7.851 162 HB3 SER 20 HB1 SER 20 53.446 1.609 7.627 163 HG SER 20 HG SER 20 52.135 1.259 6.082 164 H ASP 21 HN ASP 21 55.976 -1.045 8.036 165 HA ASP 21 HA ASP 21 57.286 0.523 9.988 166 HB2 ASP 21 HB2 ASP 21 57.824 -2.358 9.196 167 HB3 ASP 21 HB1 ASP 21 58.384 -1.580 10.665 168 H ILE 22 HN ILE 22 58.483 -1.445 7.359 169 HA ILE 22 HA ILE 22 61.215 -0.895 7.654 170 HB ILE 22 HB ILE 22 59.696 -1.739 5.175 171 HG12 ILE 22 HG12 ILE 22 61.131 -3.415 7.240 172 HG13 ILE 22 HG11 ILE 22 59.388 -3.190 7.150 173 HG21 ILE 22 HG21 ILE 22 61.856 -2.678 4.425 174 HG22 ILE 22 HG22 ILE 22 62.647 -1.942 5.821 175 HG23 ILE 22 HG23 ILE 22 61.906 -0.925 4.585 176 HD11 ILE 22 HD11 ILE 22 60.021 -5.299 6.192 177 HD12 ILE 22 HD12 ILE 22 61.136 -4.496 5.086 178 HD13 ILE 22 HD13 ILE 22 59.395 -4.235 4.933 179 H SER 23 HN SER 23 58.801 0.701 5.574 180 HA SER 23 HA SER 23 60.622 2.329 4.208 181 HB2 SER 23 HB2 SER 23 58.255 1.905 3.516 182 HB3 SER 23 HB1 SER 23 57.724 2.940 4.836 183 HG SER 23 HG SER 23 57.935 4.485 3.462 184 H THR 24 HN THR 24 59.214 2.655 7.381 185 HA THR 24 HA THR 24 59.839 5.478 7.609 186 HB THR 24 HB THR 24 58.956 3.457 9.701 187 HG1 THR 24 HG1 THR 24 57.282 3.588 8.315 188 HG21 THR 24 HG21 THR 24 58.865 6.486 9.729 189 HG22 THR 24 HG22 THR 24 60.010 5.486 10.614 190 HG23 THR 24 HG23 THR 24 58.290 5.414 11.017 191 H GLN 25 HN GLN 25 61.088 2.390 8.544 192 HA GLN 25 HA GLN 25 63.177 3.255 10.172 193 HB2 GLN 25 HB2 GLN 25 62.242 0.855 8.804 194 HB3 GLN 25 HB1 GLN 25 63.823 0.713 9.486 195 HG2 GLN 25 HG2 GLN 25 62.789 1.376 11.709 196 HG3 GLN 25 HG1 GLN 25 61.229 1.406 10.896 197 HE21 GLN 25 HE21 GLN 25 61.892 -0.906 9.269 198 HE22 GLN 25 HE22 GLN 25 61.786 -2.280 10.308 199 H LEU 26 HN LEU 26 62.997 2.402 6.656 200 HA LEU 26 HA LEU 26 65.718 2.544 6.185 201 HB2 LEU 26 HB2 LEU 26 63.392 2.945 4.322 202 HB3 LEU 26 HB1 LEU 26 65.051 2.739 3.862 203 HG LEU 26 HG LEU 26 63.342 0.686 5.235 204 HD11 LEU 26 HD11 LEU 26 62.755 1.010 2.903 205 HD12 LEU 26 HD12 LEU 26 63.554 -0.542 3.135 206 HD13 LEU 26 HD13 LEU 26 64.441 0.806 2.433 207 HD21 LEU 26 HD21 LEU 26 65.605 0.442 5.997 208 HD22 LEU 26 HD22 LEU 26 66.209 0.608 4.353 209 HD23 LEU 26 HD23 LEU 26 65.276 -0.827 4.807 210 H ASN 27 HN ASN 27 63.196 5.001 6.183 211 HA ASN 27 HA ASN 27 64.697 6.993 4.814 212 HB2 ASN 27 HB2 ASN 27 62.137 6.647 5.145 213 HB3 ASN 27 HB1 ASN 27 62.383 7.496 6.657 214 HD21 ASN 27 HD21 ASN 27 60.837 8.187 4.351 215 HD22 ASN 27 HD22 ASN 27 61.398 9.727 3.829 216 H ALA 28 HN ALA 28 64.842 5.713 7.908 217 HA ALA 28 HA ALA 28 65.584 8.164 9.249 218 HB1 ALA 28 HB1 ALA 28 65.623 6.856 11.273 219 HB2 ALA 28 HB2 ALA 28 65.543 5.361 10.340 220 HB3 ALA 28 HB3 ALA 28 64.166 6.454 10.354 221 H PHE 29 HN PHE 29 67.264 5.817 7.383 222 HA PHE 29 HA PHE 29 69.581 5.680 8.938 223 HB2 PHE 29 HB2 PHE 29 68.783 4.903 6.192 224 HB3 PHE 29 HB1 PHE 29 70.471 4.857 6.639 225 HD1 PHE 29 HD1 PHE 29 71.196 3.284 8.386 226 HD2 PHE 29 HD2 PHE 29 67.247 3.399 6.962 227 HE1 PHE 29 HE1 PHE 29 70.808 1.059 9.388 228 HE2 PHE 29 HE2 PHE 29 66.802 1.155 7.949 229 HZ PHE 29 HZ PHE 29 68.596 -0.010 9.163 230 HA PRO 30 HA PRO 30 71.696 9.423 8.036 231 HB2 PRO 30 HB2 PRO 30 74.151 7.837 7.538 232 HB3 PRO 30 HB1 PRO 30 73.868 9.102 8.733 233 HG2 PRO 30 HG2 PRO 30 74.018 6.557 9.461 234 HG3 PRO 30 HG1 PRO 30 72.847 7.649 10.220 235 HD2 PRO 30 HD2 PRO 30 72.389 5.564 8.111 236 HD3 PRO 30 HD1 PRO 30 71.405 5.987 9.530 237 H GLY 31 HN GLY 31 70.932 10.166 6.108 238 HA2 GLY 31 HA2 GLY 31 71.355 11.022 4.025 239 HA3 GLY 31 HA1 GLY 31 72.775 9.991 3.906 240 H CYS 32 HN CYS 32 69.905 8.303 4.804 241 HA CYS 32 HA CYS 32 69.574 7.384 2.057 242 HB2 CYS 32 HB2 CYS 32 68.855 6.120 4.675 243 HB3 CYS 32 HB1 CYS 32 68.768 5.362 3.092 244 HG CYS 32 HG CYS 32 71.786 6.523 3.954 245 H GLU 33 HN GLU 33 67.596 7.877 1.172 246 HA GLU 33 HA GLU 33 65.391 8.308 3.024 247 HB2 GLU 33 HB2 GLU 33 66.328 10.520 2.327 248 HB3 GLU 33 HB1 GLU 33 65.949 10.096 0.668 249 HG2 GLU 33 HG2 GLU 33 63.606 10.012 1.144 250 HG3 GLU 33 HG1 GLU 33 63.919 10.202 2.857 251 H VAL 34 HN VAL 34 63.519 7.520 2.371 252 HA VAL 34 HA VAL 34 63.524 5.835 0.026 253 HB VAL 34 HB VAL 34 61.172 6.397 1.833 254 HG11 VAL 34 HG11 VAL 34 60.691 5.199 -0.224 255 HG12 VAL 34 HG12 VAL 34 60.451 4.157 1.179 256 HG13 VAL 34 HG13 VAL 34 61.896 3.976 0.186 257 HG21 VAL 34 HG21 VAL 34 63.310 4.317 2.288 258 HG22 VAL 34 HG22 VAL 34 61.838 4.529 3.250 259 HG23 VAL 34 HG23 VAL 34 63.074 5.791 3.213 260 H ALA 35 HN ALA 35 63.292 6.909 -1.785 261 HA ALA 35 HA ALA 35 61.807 9.388 -1.908 262 HB1 ALA 35 HB1 ALA 35 63.913 9.148 -3.137 263 HB2 ALA 35 HB2 ALA 35 62.564 9.497 -4.219 264 HB3 ALA 35 HB3 ALA 35 63.198 7.856 -4.103 265 H VAL 36 HN VAL 36 61.543 6.112 -3.125 266 HA VAL 36 HA VAL 36 58.769 6.726 -3.875 267 HB VAL 36 HB VAL 36 60.532 4.611 -5.156 268 HG11 VAL 36 HG11 VAL 36 57.727 5.454 -5.777 269 HG12 VAL 36 HG12 VAL 36 58.267 3.902 -5.144 270 HG13 VAL 36 HG13 VAL 36 58.705 4.387 -6.782 271 HG21 VAL 36 HG21 VAL 36 61.256 6.837 -5.830 272 HG22 VAL 36 HG22 VAL 36 59.598 7.256 -6.262 273 HG23 VAL 36 HG23 VAL 36 60.460 6.018 -7.175 274 H SER 37 HN SER 37 57.553 5.935 -2.292 275 HA SER 37 HA SER 37 58.238 3.293 -1.262 276 HB2 SER 37 HB2 SER 37 56.088 5.067 -0.143 277 HB3 SER 37 HB1 SER 37 57.061 3.802 0.635 278 HG SER 37 HG SER 37 58.865 5.328 -0.006 279 H ASP 38 HN ASP 38 57.269 1.814 -2.589 280 HA ASP 38 HA ASP 38 54.480 2.326 -3.349 281 HB2 ASP 38 HB2 ASP 38 56.028 2.578 -5.293 282 HB3 ASP 38 HB1 ASP 38 56.536 0.904 -5.030 283 H ALA 39 HN ALA 39 53.534 1.124 -1.877 284 HA ALA 39 HA ALA 39 54.334 -1.390 -0.941 285 HB1 ALA 39 HB1 ALA 39 52.166 -1.534 0.122 286 HB2 ALA 39 HB2 ALA 39 51.558 -0.223 -0.885 287 HB3 ALA 39 HB3 ALA 39 52.834 0.088 0.295 288 HA PRO 40 HA PRO 40 50.867 -3.221 -4.091 289 HB2 PRO 40 HB2 PRO 40 51.176 -2.062 -6.585 290 HB3 PRO 40 HB1 PRO 40 49.939 -1.578 -5.412 291 HG2 PRO 40 HG2 PRO 40 52.700 -0.502 -5.753 292 HG3 PRO 40 HG1 PRO 40 51.267 0.489 -5.815 293 HD2 PRO 40 HD2 PRO 40 52.507 0.455 -3.611 294 HD3 PRO 40 HD1 PRO 40 50.804 -0.057 -3.480 295 H SER 41 HN SER 41 53.922 -1.910 -5.480 296 HA SER 41 HA SER 41 54.415 -4.493 -6.676 297 HB2 SER 41 HB2 SER 41 54.798 -2.355 -7.915 298 HB3 SER 41 HB1 SER 41 56.072 -1.962 -6.765 299 HG SER 41 HG SER 41 56.242 -4.437 -7.996 300 H GLY 42 HN GLY 42 55.092 -2.860 -3.793 301 HA2 GLY 42 HA2 GLY 42 56.131 -3.578 -1.927 302 HA3 GLY 42 HA1 GLY 42 56.645 -5.050 -2.722 303 H GLN 43 HN GLN 43 57.268 -1.838 -3.926 304 HA GLN 43 HA GLN 43 60.116 -2.346 -3.474 305 HB2 GLN 43 HB2 GLN 43 58.804 -0.808 -5.707 306 HB3 GLN 43 HB1 GLN 43 60.533 -0.870 -5.426 307 HG2 GLN 43 HG2 GLN 43 60.518 -3.264 -5.784 308 HG3 GLN 43 HG1 GLN 43 58.774 -3.210 -6.045 309 HE21 GLN 43 HE21 GLN 43 58.014 -2.389 -8.011 310 HE22 GLN 43 HE22 GLN 43 59.047 -2.021 -9.335 311 H LEU 44 HN LEU 44 61.054 -1.126 -2.219 312 HA LEU 44 HA LEU 44 60.106 1.627 -1.822 313 HB2 LEU 44 HB2 LEU 44 61.708 -0.107 0.088 314 HB3 LEU 44 HB1 LEU 44 61.223 1.560 0.352 315 HG LEU 44 HG LEU 44 59.241 -0.683 0.032 316 HD11 LEU 44 HD11 LEU 44 59.033 -0.593 2.471 317 HD12 LEU 44 HD12 LEU 44 60.366 0.563 2.536 318 HD13 LEU 44 HD13 LEU 44 60.648 -1.081 1.967 319 HD21 LEU 44 HD21 LEU 44 59.038 2.155 1.028 320 HD22 LEU 44 HD22 LEU 44 57.736 0.974 1.062 321 HD23 LEU 44 HD23 LEU 44 58.388 1.508 -0.479 322 H ILE 45 HN ILE 45 61.315 2.907 -2.961 323 HA ILE 45 HA ILE 45 64.036 2.117 -3.587 324 HB ILE 45 HB ILE 45 62.310 4.342 -4.667 325 HG12 ILE 45 HG12 ILE 45 63.389 1.796 -5.896 326 HG13 ILE 45 HG11 ILE 45 61.712 2.137 -5.489 327 HG21 ILE 45 HG21 ILE 45 65.157 3.710 -5.399 328 HG22 ILE 45 HG22 ILE 45 64.577 5.165 -4.588 329 HG23 ILE 45 HG23 ILE 45 64.104 4.837 -6.258 330 HD11 ILE 45 HD11 ILE 45 63.346 3.522 -7.590 331 HD12 ILE 45 HD12 ILE 45 61.654 3.867 -7.214 332 HD13 ILE 45 HD13 ILE 45 62.116 2.292 -7.879 333 H VAL 46 HN VAL 46 65.617 2.768 -2.484 334 HA VAL 46 HA VAL 46 65.309 5.139 -0.781 335 HB VAL 46 HB VAL 46 67.201 2.795 -0.369 336 HG11 VAL 46 HG11 VAL 46 68.044 4.888 0.558 337 HG12 VAL 46 HG12 VAL 46 67.597 3.763 1.841 338 HG13 VAL 46 HG13 VAL 46 66.537 5.113 1.446 339 HG21 VAL 46 HG21 VAL 46 65.765 2.184 1.527 340 HG22 VAL 46 HG22 VAL 46 64.907 2.073 -0.010 341 HG23 VAL 46 HG23 VAL 46 64.625 3.443 1.064 342 H VAL 47 HN VAL 47 66.429 6.793 -1.413 343 HA VAL 47 HA VAL 47 68.662 6.412 -3.256 344 HB VAL 47 HB VAL 47 67.216 8.966 -2.442 345 HG11 VAL 47 HG11 VAL 47 69.176 8.448 -4.672 346 HG12 VAL 47 HG12 VAL 47 69.502 9.353 -3.194 347 HG13 VAL 47 HG13 VAL 47 68.340 9.972 -4.372 348 HG21 VAL 47 HG21 VAL 47 65.714 7.496 -3.673 349 HG22 VAL 47 HG22 VAL 47 66.917 7.308 -4.946 350 HG23 VAL 47 HG23 VAL 47 66.166 8.882 -4.666 351 H VAL 48 HN VAL 48 70.634 6.545 -2.474 352 HA VAL 48 HA VAL 48 70.967 7.682 0.224 353 HB VAL 48 HB VAL 48 72.481 5.340 -0.952 354 HG11 VAL 48 HG11 VAL 48 73.339 5.021 1.328 355 HG12 VAL 48 HG12 VAL 48 72.497 6.480 1.840 356 HG13 VAL 48 HG13 VAL 48 73.803 6.585 0.658 357 HG21 VAL 48 HG21 VAL 48 70.288 5.332 1.117 358 HG22 VAL 48 HG22 VAL 48 71.257 3.935 0.656 359 HG23 VAL 48 HG23 VAL 48 70.182 4.688 -0.522 360 H GLU 49 HN GLU 49 72.424 9.246 0.352 361 HA GLU 49 HA GLU 49 74.470 9.431 -1.753 362 HB2 GLU 49 HB2 GLU 49 73.747 11.512 0.340 363 HB3 GLU 49 HB1 GLU 49 74.923 11.707 -0.937 364 HG2 GLU 49 HG2 GLU 49 73.039 12.962 -1.568 365 HG3 GLU 49 HG1 GLU 49 73.001 11.510 -2.562 366 H ALA 50 HN ALA 50 76.377 8.686 -1.180 367 HA ALA 50 HA ALA 50 77.089 8.740 1.661 368 HB1 ALA 50 HB1 ALA 50 76.401 6.466 1.082 369 HB2 ALA 50 HB2 ALA 50 78.119 6.546 1.477 370 HB3 ALA 50 HB3 ALA 50 77.604 6.442 -0.208 371 H GLU 51 HN GLU 51 79.192 9.066 2.092 372 HA GLU 51 HA GLU 51 80.543 10.718 0.192 373 HB2 GLU 51 HB2 GLU 51 80.346 11.046 2.677 374 HB3 GLU 51 HB1 GLU 51 81.488 9.714 2.823 375 HG2 GLU 51 HG2 GLU 51 83.203 10.962 1.763 376 HG3 GLU 51 HG1 GLU 51 82.080 12.271 1.375 377 H ASP 52 HN ASP 52 80.938 7.437 1.393 378 HA ASP 52 HA ASP 52 83.241 7.189 -0.373 379 HB2 ASP 52 HB2 ASP 52 84.124 7.299 1.875 380 HB3 ASP 52 HB1 ASP 52 83.000 6.059 2.419 381 H SER 53 HN SER 53 83.513 5.135 -1.343 382 HA SER 53 HA SER 53 81.299 3.800 -2.217 383 HB2 SER 53 HB2 SER 53 84.132 2.799 -2.022 384 HB3 SER 53 HB1 SER 53 82.899 2.171 -3.117 385 HG SER 53 HG SER 53 82.898 4.037 -4.220 386 H GLU 54 HN GLU 54 83.490 2.859 0.483 387 HA GLU 54 HA GLU 54 82.113 0.359 0.838 388 HB2 GLU 54 HB2 GLU 54 84.509 0.467 1.221 389 HB3 GLU 54 HB1 GLU 54 84.281 1.704 2.450 390 HG2 GLU 54 HG2 GLU 54 83.226 0.143 3.913 391 HG3 GLU 54 HG1 GLU 54 83.208 -1.093 2.656 392 H THR 55 HN THR 55 82.234 3.515 2.366 393 HA THR 55 HA THR 55 80.644 2.949 4.570 394 HB THR 55 HB THR 55 80.683 5.544 3.003 395 HG1 THR 55 HG1 THR 55 82.389 5.388 5.118 396 HG21 THR 55 HG21 THR 55 80.324 6.551 5.224 397 HG22 THR 55 HG22 THR 55 80.312 4.947 5.951 398 HG23 THR 55 HG23 THR 55 79.028 5.416 4.837 399 H LEU 56 HN LEU 56 79.861 3.753 1.220 400 HA LEU 56 HA LEU 56 77.083 3.969 1.397 401 HB2 LEU 56 HB2 LEU 56 78.332 4.539 -0.626 402 HB3 LEU 56 HB1 LEU 56 78.827 2.878 -0.814 403 HG LEU 56 HG LEU 56 76.455 2.255 -1.216 404 HD11 LEU 56 HD11 LEU 56 75.980 5.230 -1.242 405 HD12 LEU 56 HD12 LEU 56 75.329 4.070 -0.086 406 HD13 LEU 56 HD13 LEU 56 74.839 3.998 -1.775 407 HD21 LEU 56 HD21 LEU 56 77.995 2.625 -3.061 408 HD22 LEU 56 HD22 LEU 56 77.576 4.338 -3.080 409 HD23 LEU 56 HD23 LEU 56 76.359 3.124 -3.484 410 H ILE 57 HN ILE 57 79.145 1.158 0.755 411 HA ILE 57 HA ILE 57 77.076 -0.694 0.478 412 HB ILE 57 HB ILE 57 79.956 -1.203 1.292 413 HG12 ILE 57 HG12 ILE 57 78.590 -1.335 -1.406 414 HG13 ILE 57 HG11 ILE 57 79.695 -0.072 -0.875 415 HG21 ILE 57 HG21 ILE 57 77.876 -3.142 0.246 416 HG22 ILE 57 HG22 ILE 57 78.532 -3.115 1.882 417 HG23 ILE 57 HG23 ILE 57 79.578 -3.509 0.521 418 HD11 ILE 57 HD11 ILE 57 81.494 -1.706 -0.750 419 HD12 ILE 57 HD12 ILE 57 80.766 -1.671 -2.356 420 HD13 ILE 57 HD13 ILE 57 80.376 -2.976 -1.237 421 H GLN 58 HN GLN 58 79.075 0.068 3.376 422 HA GLN 58 HA GLN 58 77.980 -1.756 5.076 423 HB2 GLN 58 HB2 GLN 58 79.979 -0.384 5.481 424 HB3 GLN 58 HB1 GLN 58 78.947 1.029 5.676 425 HG2 GLN 58 HG2 GLN 58 77.831 -0.058 7.542 426 HG3 GLN 58 HG1 GLN 58 78.895 -1.443 7.254 427 HE21 GLN 58 HE21 GLN 58 78.539 0.429 9.570 428 HE22 GLN 58 HE22 GLN 58 80.129 0.950 9.968 429 H THR 59 HN THR 59 76.876 1.525 4.310 430 HA THR 59 HA THR 59 74.774 1.594 6.176 431 HB THR 59 HB THR 59 74.908 3.063 3.529 432 HG1 THR 59 HG1 THR 59 76.799 3.601 4.566 433 HG21 THR 59 HG21 THR 59 72.775 3.251 4.729 434 HG22 THR 59 HG22 THR 59 73.644 4.786 4.744 435 HG23 THR 59 HG23 THR 59 73.628 3.765 6.180 436 H ILE 60 HN ILE 60 74.968 0.548 2.821 437 HA ILE 60 HA ILE 60 72.239 -0.047 2.439 438 HB ILE 60 HB ILE 60 74.731 -1.139 1.129 439 HG12 ILE 60 HG12 ILE 60 72.744 0.909 0.140 440 HG13 ILE 60 HG11 ILE 60 74.272 1.296 0.916 441 HG21 ILE 60 HG21 ILE 60 72.890 -2.741 0.805 442 HG22 ILE 60 HG22 ILE 60 73.268 -1.923 -0.713 443 HG23 ILE 60 HG23 ILE 60 71.849 -1.441 0.218 444 HD11 ILE 60 HD11 ILE 60 74.362 1.470 -1.519 445 HD12 ILE 60 HD12 ILE 60 73.963 -0.250 -1.626 446 HD13 ILE 60 HD13 ILE 60 75.476 0.259 -0.885 447 H GLU 61 HN GLU 61 74.972 -1.970 3.615 448 HA GLU 61 HA GLU 61 73.498 -4.352 3.916 449 HB2 GLU 61 HB2 GLU 61 76.035 -3.464 5.302 450 HB3 GLU 61 HB1 GLU 61 75.378 -5.094 5.391 451 HG2 GLU 61 HG2 GLU 61 75.598 -5.288 2.938 452 HG3 GLU 61 HG1 GLU 61 76.311 -3.682 2.895 453 H SER 62 HN SER 62 73.965 -1.576 5.974 454 HA SER 62 HA SER 62 72.774 -2.546 8.317 455 HB2 SER 62 HB2 SER 62 72.863 0.152 7.055 456 HB3 SER 62 HB1 SER 62 72.329 -0.123 8.696 457 HG SER 62 HG SER 62 74.874 -0.958 7.710 458 H VAL 63 HN VAL 63 71.488 -0.929 5.481 459 HA VAL 63 HA VAL 63 68.772 -0.903 6.102 460 HB VAL 63 HB VAL 63 70.423 -0.887 3.650 461 HG11 VAL 63 HG11 VAL 63 68.377 -2.016 2.872 462 HG12 VAL 63 HG12 VAL 63 68.317 -0.358 2.278 463 HG13 VAL 63 HG13 VAL 63 67.371 -0.833 3.688 464 HG21 VAL 63 HG21 VAL 63 70.365 1.127 4.911 465 HG22 VAL 63 HG22 VAL 63 68.604 1.151 4.906 466 HG23 VAL 63 HG23 VAL 63 69.494 1.406 3.402 467 H ARG 64 HN ARG 64 70.791 -3.344 4.573 468 HA ARG 64 HA ARG 64 68.781 -5.267 4.027 469 HB2 ARG 64 HB2 ARG 64 71.758 -5.465 4.359 470 HB3 ARG 64 HB1 ARG 64 70.777 -6.871 3.994 471 HG2 ARG 64 HG2 ARG 64 70.102 -5.953 1.906 472 HG3 ARG 64 HG1 ARG 64 70.811 -4.388 2.305 473 HD2 ARG 64 HD2 ARG 64 72.153 -5.758 0.719 474 HD3 ARG 64 HD1 ARG 64 73.030 -5.283 2.163 475 HE ARG 64 HE ARG 64 71.982 -7.779 2.688 476 HH11 ARG 64 HH11 ARG 64 74.179 -6.421 0.240 477 HH12 ARG 64 HH12 ARG 64 75.118 -7.833 0.127 478 HH21 ARG 64 HH21 ARG 64 73.309 -9.702 2.506 479 HH22 ARG 64 HH22 ARG 64 74.616 -9.721 1.405 480 H ASN 65 HN ASN 65 70.180 -4.281 6.956 481 HA ASN 65 HA ASN 65 69.736 -6.770 8.314 482 HB2 ASN 65 HB2 ASN 65 70.800 -4.112 9.174 483 HB3 ASN 65 HB1 ASN 65 70.209 -5.233 10.395 484 HD21 ASN 65 HD21 ASN 65 71.865 -6.208 7.437 485 HD22 ASN 65 HD22 ASN 65 73.279 -6.781 8.217 486 H VAL 66 HN VAL 66 67.800 -4.217 7.347 487 HA VAL 66 HA VAL 66 65.953 -4.289 9.575 488 HB VAL 66 HB VAL 66 65.518 -3.286 6.738 489 HG11 VAL 66 HG11 VAL 66 63.448 -3.873 7.894 490 HG12 VAL 66 HG12 VAL 66 63.571 -2.110 7.723 491 HG13 VAL 66 HG13 VAL 66 63.929 -2.891 9.267 492 HG21 VAL 66 HG21 VAL 66 66.189 -1.769 9.260 493 HG22 VAL 66 HG22 VAL 66 65.787 -1.045 7.702 494 HG23 VAL 66 HG23 VAL 66 67.258 -2.003 7.876 495 H GLU 67 HN GLU 67 64.648 -5.658 10.106 496 HA GLU 67 HA GLU 67 64.548 -7.940 8.562 497 HB2 GLU 67 HB2 GLU 67 63.250 -7.214 11.129 498 HB3 GLU 67 HB1 GLU 67 63.184 -8.792 10.355 499 HG2 GLU 67 HG2 GLU 67 65.674 -8.673 10.251 500 HG3 GLU 67 HG1 GLU 67 65.552 -7.349 11.414 501 H GLY 68 HN GLY 68 63.411 -8.311 7.137 502 HA2 GLY 68 HA2 GLY 68 60.980 -8.733 6.559 503 HA3 GLY 68 HA1 GLY 68 60.802 -7.000 6.845 504 H VAL 69 HN VAL 69 63.724 -6.997 5.757 505 HA VAL 69 HA VAL 69 62.885 -6.409 3.062 506 HB VAL 69 HB VAL 69 65.694 -6.305 4.259 507 HG11 VAL 69 HG11 VAL 69 64.643 -5.368 1.629 508 HG12 VAL 69 HG12 VAL 69 65.835 -6.638 1.916 509 HG13 VAL 69 HG13 VAL 69 66.221 -4.958 2.297 510 HG21 VAL 69 HG21 VAL 69 63.719 -4.103 3.666 511 HG22 VAL 69 HG22 VAL 69 65.363 -3.887 4.267 512 HG23 VAL 69 HG23 VAL 69 64.153 -4.685 5.274 513 H LEU 70 HN LEU 70 63.218 -7.627 1.276 514 HA LEU 70 HA LEU 70 64.110 -10.360 1.779 515 HB2 LEU 70 HB2 LEU 70 62.448 -9.196 -0.458 516 HB3 LEU 70 HB1 LEU 70 62.893 -10.884 -0.306 517 HG LEU 70 HG LEU 70 61.165 -9.393 1.672 518 HD11 LEU 70 HD11 LEU 70 59.318 -10.677 0.730 519 HD12 LEU 70 HD12 LEU 70 60.402 -11.345 -0.495 520 HD13 LEU 70 HD13 LEU 70 60.044 -9.617 -0.478 521 HD21 LEU 70 HD21 LEU 70 62.379 -11.249 2.673 522 HD22 LEU 70 HD22 LEU 70 61.839 -12.316 1.378 523 HD23 LEU 70 HD23 LEU 70 60.668 -11.647 2.514 524 H ALA 71 HN ALA 71 64.201 -7.930 -0.846 525 HA ALA 71 HA ALA 71 66.954 -8.757 -1.364 526 HB1 ALA 71 HB1 ALA 71 64.831 -8.381 -3.466 527 HB2 ALA 71 HB2 ALA 71 65.540 -9.922 -2.983 528 HB3 ALA 71 HB3 ALA 71 66.538 -8.689 -3.766 529 H VAL 72 HN VAL 72 68.209 -7.082 -1.425 530 HA VAL 72 HA VAL 72 67.078 -4.458 -2.116 531 HB VAL 72 HB VAL 72 69.702 -5.048 -0.687 532 HG11 VAL 72 HG11 VAL 72 69.807 -2.997 -2.013 533 HG12 VAL 72 HG12 VAL 72 69.816 -2.628 -0.288 534 HG13 VAL 72 HG13 VAL 72 68.342 -2.401 -1.231 535 HG21 VAL 72 HG21 VAL 72 67.117 -3.935 0.390 536 HG22 VAL 72 HG22 VAL 72 68.620 -4.055 1.294 537 HG23 VAL 72 HG23 VAL 72 67.797 -5.516 0.762 538 H SER 73 HN SER 73 67.345 -4.118 -4.202 539 HA SER 73 HA SER 73 69.718 -5.116 -5.541 540 HB2 SER 73 HB2 SER 73 67.257 -3.740 -6.604 541 HB3 SER 73 HB1 SER 73 68.521 -4.486 -7.596 542 HG SER 73 HG SER 73 67.994 -6.454 -6.698 543 H LEU 74 HN LEU 74 71.432 -3.860 -5.619 544 HA LEU 74 HA LEU 74 71.291 -1.052 -4.930 545 HB2 LEU 74 HB2 LEU 74 73.062 -2.928 -4.327 546 HB3 LEU 74 HB1 LEU 74 73.760 -2.439 -5.853 547 HG LEU 74 HG LEU 74 73.341 -0.716 -3.424 548 HD11 LEU 74 HD11 LEU 74 75.788 -0.691 -3.303 549 HD12 LEU 74 HD12 LEU 74 75.852 -1.822 -4.657 550 HD13 LEU 74 HD13 LEU 74 75.118 -2.314 -3.130 551 HD21 LEU 74 HD21 LEU 74 73.139 0.651 -5.442 552 HD22 LEU 74 HD22 LEU 74 74.666 0.016 -6.046 553 HD23 LEU 74 HD23 LEU 74 74.636 1.017 -4.594 554 H VAL 75 HN VAL 75 70.638 0.252 -6.390 555 HA VAL 75 HA VAL 75 71.316 -0.172 -9.157 556 HB VAL 75 HB VAL 75 69.584 1.919 -7.840 557 HG11 VAL 75 HG11 VAL 75 70.413 2.645 -10.029 558 HG12 VAL 75 HG12 VAL 75 68.682 2.294 -10.126 559 HG13 VAL 75 HG13 VAL 75 69.858 1.135 -10.751 560 HG21 VAL 75 HG21 VAL 75 67.671 0.621 -8.706 561 HG22 VAL 75 HG22 VAL 75 68.627 -0.259 -7.508 562 HG23 VAL 75 HG23 VAL 75 68.802 -0.634 -9.220 563 H TYR 76 HN TYR 76 73.466 0.271 -9.042 564 HA TYR 76 HA TYR 76 74.684 2.592 -7.923 565 HB2 TYR 76 HB2 TYR 76 75.728 1.144 -10.379 566 HB3 TYR 76 HB1 TYR 76 76.616 2.089 -9.196 567 HD1 TYR 76 HD1 TYR 76 77.216 1.125 -7.021 568 HD2 TYR 76 HD2 TYR 76 75.166 -1.157 -9.962 569 HE1 TYR 76 HE1 TYR 76 77.799 -0.944 -5.819 570 HE2 TYR 76 HE2 TYR 76 75.728 -3.223 -8.769 571 HH TYR 76 HH TYR 76 77.624 -3.915 -7.186 572 H HIS 77 HN HIS 77 73.192 1.818 -10.898 573 HA HIS 77 HA HIS 77 74.003 3.963 -12.513 574 HB2 HIS 77 HB2 HIS 77 71.540 2.210 -12.672 575 HB3 HIS 77 HB1 HIS 77 72.110 3.262 -13.961 576 HD1 HIS 77 HD1 HIS 77 72.789 -0.104 -12.395 577 HD2 HIS 77 HD2 HIS 77 74.480 2.450 -15.218 578 HE1 HIS 77 HE1 HIS 77 74.566 -1.419 -13.536 579 H GLN 78 HN GLN 78 72.907 5.857 -13.060 580 HA GLN 78 HA GLN 78 71.038 6.699 -10.994 581 HB2 GLN 78 HB2 GLN 78 72.256 8.867 -10.879 582 HB3 GLN 78 HB1 GLN 78 73.132 7.479 -10.253 583 HG2 GLN 78 HG2 GLN 78 74.344 7.373 -12.450 584 HG3 GLN 78 HG1 GLN 78 73.580 8.904 -12.870 585 HE21 GLN 78 HE21 GLN 78 73.699 9.835 -10.110 586 HE22 GLN 78 HE22 GLN 78 75.343 10.255 -9.795 587 H GLN 79 HN GLN 79 70.496 9.190 -11.605 588 HA GLN 79 HA GLN 79 68.536 9.007 -13.552 589 HB2 GLN 79 HB2 GLN 79 69.861 11.527 -12.536 590 HB3 GLN 79 HB1 GLN 79 68.301 11.429 -13.335 591 HG2 GLN 79 HG2 GLN 79 68.991 10.227 -10.662 592 HG3 GLN 79 HG1 GLN 79 68.037 11.682 -10.943 593 HE21 GLN 79 HE21 GLN 79 65.966 11.467 -11.786 594 HE22 GLN 79 HE22 GLN 79 65.121 9.956 -11.725 595 H GLU 80 HN GLU 80 71.691 10.584 -13.763 596 HA GLU 80 HA GLU 80 71.545 10.178 -16.631 597 HB2 GLU 80 HB2 GLU 80 72.769 12.356 -16.931 598 HB3 GLU 80 HB1 GLU 80 71.101 12.509 -16.411 599 HG2 GLU 80 HG2 GLU 80 71.920 12.824 -14.088 600 HG3 GLU 80 HG1 GLU 80 73.565 12.811 -14.720 601 H GLU 81 HN GLU 81 73.172 9.087 -17.371 602 HA GLU 81 HA GLU 81 75.133 8.033 -15.631 603 HB2 GLU 81 HB2 GLU 81 74.177 6.893 -17.646 604 HB3 GLU 81 HB1 GLU 81 75.074 8.014 -18.654 605 HG2 GLU 81 HG2 GLU 81 76.220 5.911 -18.568 606 HG3 GLU 81 HG1 GLU 81 77.174 7.116 -17.712 607 H GLN 82 HN GLN 82 75.522 10.029 -18.499 608 HA GLN 82 HA GLN 82 77.604 11.607 -17.226 609 HB2 GLN 82 HB2 GLN 82 78.110 9.959 -19.711 610 HB3 GLN 82 HB1 GLN 82 79.124 11.291 -19.204 611 HG2 GLN 82 HG2 GLN 82 79.750 10.132 -17.210 612 HG3 GLN 82 HG1 GLN 82 78.605 8.837 -17.554 613 HE21 GLN 82 HE21 GLN 82 79.079 7.362 -19.114 614 HE22 GLN 82 HE22 GLN 82 80.648 7.173 -19.793 615 H GLY 83 HN GLY 83 77.896 13.571 -18.212 616 HA2 GLY 83 HA2 GLY 83 75.767 14.390 -19.991 617 HA3 GLY 83 HA1 GLY 83 76.926 15.447 -19.197 618 H GLU 84 HN GLU 84 77.135 12.720 -21.440 619 HA GLU 84 HA GLU 84 79.174 14.196 -22.915 620 HB2 GLU 84 HB2 GLU 84 79.809 11.932 -22.250 621 HB3 GLU 84 HB1 GLU 84 78.416 11.276 -23.095 622 HG2 GLU 84 HG2 GLU 84 79.303 12.102 -25.214 623 HG3 GLU 84 HG1 GLU 84 80.709 12.749 -24.380 624 H GLU 85 HN GLU 85 78.182 15.535 -24.279 625 HA GLU 85 HA GLU 85 76.112 14.420 -26.034 626 HB2 GLU 85 HB2 GLU 85 75.591 16.732 -26.611 627 HB3 GLU 85 HB1 GLU 85 75.529 16.506 -24.874 628 HG2 GLU 85 HG2 GLU 85 77.570 17.649 -24.544 629 HG3 GLU 85 HG1 GLU 85 77.951 17.601 -26.267 630 H THR 86 HN THR 86 79.308 14.656 -25.924 631 HA THR 86 HA THR 86 79.782 15.644 -28.605 632 HB THR 86 HB THR 86 81.763 14.657 -26.551 633 HG1 THR 86 HG1 THR 86 81.894 16.877 -25.950 634 HG21 THR 86 HG21 THR 86 82.617 14.902 -28.855 635 HG22 THR 86 HG22 THR 86 83.321 16.111 -27.784 636 HG23 THR 86 HG23 THR 86 82.028 16.565 -28.893 637 HA PRO 87 HA PRO 87 80.150 11.228 -29.671 638 HB2 PRO 87 HB2 PRO 87 78.719 11.305 -31.949 639 HB3 PRO 87 HB1 PRO 87 77.959 11.330 -30.363 640 HG2 PRO 87 HG2 PRO 87 78.183 13.489 -32.334 641 HG3 PRO 87 HG1 PRO 87 77.069 13.328 -30.971 642 HD2 PRO 87 HD2 PRO 87 79.571 14.823 -31.121 643 HD3 PRO 87 HD1 PRO 87 78.341 14.825 -29.839 644 H ARG 88 HN ARG 88 81.351 10.131 -31.213 645 HA ARG 88 HA ARG 88 82.975 9.654 -32.659 646 HB2 ARG 88 HB2 ARG 88 82.482 12.345 -33.977 647 HB3 ARG 88 HB1 ARG 88 83.529 11.101 -34.623 648 HG2 ARG 88 HG2 ARG 88 81.634 10.835 -35.906 649 HG3 ARG 88 HG1 ARG 88 81.318 9.678 -34.617 650 HD2 ARG 88 HD2 ARG 88 79.990 11.397 -33.457 651 HD3 ARG 88 HD1 ARG 88 80.255 12.491 -34.808 652 HE ARG 88 HE ARG 88 79.135 9.995 -35.602 653 HH11 ARG 88 HH11 ARG 88 78.338 13.287 -34.482 654 HH12 ARG 88 HH12 ARG 88 76.697 13.160 -34.911 655 HH21 ARG 88 HH21 ARG 88 76.866 9.883 -36.215 656 HH22 ARG 88 HH22 ARG 88 75.838 11.197 -35.907 657 H SER 89 HN SER 89 85.215 9.920 -33.004 658 HA SER 89 HA SER 89 86.464 11.462 -30.957 659 HB2 SER 89 HB2 SER 89 87.317 9.222 -31.510 660 HB3 SER 89 HB1 SER 89 87.622 9.726 -33.166 661 HG SER 89 HG SER 89 89.274 10.966 -32.514 662 H HIS 90 HN HIS 90 86.077 13.601 -31.475 663 HA HIS 90 HA HIS 90 87.369 14.546 -33.939 664 HB2 HIS 90 HB2 HIS 90 84.822 14.864 -33.669 665 HB3 HIS 90 HB1 HIS 90 85.233 16.022 -32.417 666 HD1 HIS 90 HD1 HIS 90 84.436 15.934 -35.893 667 HD2 HIS 90 HD2 HIS 90 87.110 18.117 -33.577 668 HE1 HIS 90 HE1 HIS 90 85.028 17.972 -37.238 669 H HIS 91 HN HIS 91 89.212 15.468 -33.526 670 HA HIS 91 HA HIS 91 89.503 17.095 -31.127 671 HB2 HIS 91 HB2 HIS 91 91.552 15.148 -32.245 672 HB3 HIS 91 HB1 HIS 91 91.846 16.278 -30.932 673 HD1 HIS 91 HD1 HIS 91 90.809 12.849 -31.545 674 HD2 HIS 91 HD2 HIS 91 90.117 15.695 -28.599 675 HE1 HIS 91 HE1 HIS 91 89.953 11.587 -29.552 676 H HIS 92 HN HIS 92 91.052 18.805 -31.447 677 HA HIS 92 HA HIS 92 91.126 19.690 -34.199 678 HB2 HIS 92 HB2 HIS 92 91.822 21.053 -31.601 679 HB3 HIS 92 HB1 HIS 92 92.218 21.768 -33.158 680 HD1 HIS 92 HD1 HIS 92 89.308 21.108 -30.877 681 HD2 HIS 92 HD2 HIS 92 90.047 22.626 -34.673 682 HE1 HIS 92 HE1 HIS 92 87.207 22.259 -31.583 683 H HIS 93 HN HIS 93 93.113 18.179 -31.990 684 HA HIS 93 HA HIS 93 95.148 17.165 -32.179 685 HB2 HIS 93 HB2 HIS 93 94.915 17.964 -35.094 686 HB3 HIS 93 HB1 HIS 93 96.128 16.867 -34.456 687 HD1 HIS 93 HD1 HIS 93 92.693 16.936 -35.805 688 HD2 HIS 93 HD2 HIS 93 94.997 14.386 -33.458 689 HE1 HIS 93 HE1 HIS 93 91.550 14.708 -35.872 690 H HIS 94 HN HIS 94 97.528 17.780 -33.428 691 HA HIS 94 HA HIS 94 97.973 20.617 -32.989 692 HB2 HIS 94 HB2 HIS 94 98.424 19.543 -30.805 693 HB3 HIS 94 HB1 HIS 94 99.546 18.435 -31.587 694 HD1 HIS 94 HD1 HIS 94 101.918 19.410 -32.204 695 HD2 HIS 94 HD2 HIS 94 99.357 22.131 -30.401 696 HE1 HIS 94 HE1 HIS 94 103.336 21.372 -31.537 697 H HIS 95 HN HIS 95 99.656 21.419 -34.154 698 HA HIS 95 HA HIS 95 101.411 19.647 -35.532 699 HB2 HIS 95 HB2 HIS 95 101.032 20.935 -37.725 700 HB3 HIS 95 HB1 HIS 95 99.799 19.771 -37.266 701 HD1 HIS 95 HD1 HIS 95 97.435 20.682 -36.927 702 HD2 HIS 95 HD2 HIS 95 100.267 23.642 -37.535 703 HE1 HIS 95 HE1 HIS 95 96.143 22.795 -37.321 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 85.193 18.219 5.316 2 H2 MET 1 HT2 MET 1 83.711 18.660 4.645 3 H3 MET 1 HT3 MET 1 84.954 18.117 3.663 4 HA MET 1 HA MET 1 84.858 15.932 4.579 5 HB2 MET 1 HB2 MET 1 82.569 17.036 6.211 6 HB3 MET 1 HB1 MET 1 83.022 15.344 6.127 7 HG2 MET 1 HG2 MET 1 85.205 15.937 7.121 8 HG3 MET 1 HG1 MET 1 84.641 17.597 7.271 9 HE1 MET 1 HE1 MET 1 81.518 17.086 8.064 10 HE2 MET 1 HE2 MET 1 82.565 18.309 8.778 11 HE3 MET 1 HE3 MET 1 81.667 17.202 9.819 12 H HIS 2 HN HIS 2 83.400 18.011 2.635 13 HA HIS 2 HA HIS 2 81.710 15.959 1.512 14 HB2 HIS 2 HB2 HIS 2 80.248 17.541 2.808 15 HB3 HIS 2 HB1 HIS 2 80.880 18.865 1.842 16 HD1 HIS 2 HD1 HIS 2 78.234 16.388 1.936 17 HD2 HIS 2 HD2 HIS 2 80.129 18.643 -0.978 18 HE1 HIS 2 HE1 HIS 2 76.711 16.344 -0.083 19 H THR 3 HN THR 3 83.265 15.631 -0.014 20 HA THR 3 HA THR 3 84.234 17.876 -1.594 21 HB THR 3 HB THR 3 84.778 14.926 -2.002 22 HG1 THR 3 HG1 THR 3 85.377 15.172 0.017 23 HG21 THR 3 HG21 THR 3 85.537 16.463 -3.771 24 HG22 THR 3 HG22 THR 3 86.902 15.745 -2.917 25 HG23 THR 3 HG23 THR 3 86.407 17.405 -2.557 26 H ASN 4 HN ASN 4 82.909 14.660 -2.296 27 HA ASN 4 HA ASN 4 80.786 15.587 -3.959 28 HB2 ASN 4 HB2 ASN 4 82.656 15.810 -5.579 29 HB3 ASN 4 HB1 ASN 4 83.159 14.161 -5.230 30 HD21 ASN 4 HD21 ASN 4 80.753 16.147 -6.775 31 HD22 ASN 4 HD22 ASN 4 80.076 14.892 -7.746 32 H TRP 5 HN TRP 5 79.310 14.066 -4.015 33 HA TRP 5 HA TRP 5 80.097 11.593 -2.743 34 HB2 TRP 5 HB2 TRP 5 77.876 11.529 -1.593 35 HB3 TRP 5 HB1 TRP 5 78.972 12.775 -1.042 36 HD1 TRP 5 HD1 TRP 5 77.714 14.458 -3.920 37 HE1 TRP 5 HE1 TRP 5 75.683 15.849 -3.432 38 HE3 TRP 5 HE3 TRP 5 76.383 12.328 0.526 39 HZ2 TRP 5 HZ2 TRP 5 73.681 16.042 -1.408 40 HZ3 TRP 5 HZ3 TRP 5 74.387 13.182 1.675 41 HH2 TRP 5 HH2 TRP 5 73.067 14.994 0.732 42 H GLN 6 HN GLN 6 78.611 9.823 -2.954 43 HA GLN 6 HA GLN 6 77.708 9.706 -5.714 44 HB2 GLN 6 HB2 GLN 6 78.301 7.208 -5.441 45 HB3 GLN 6 HB1 GLN 6 79.607 8.361 -5.668 46 HG2 GLN 6 HG2 GLN 6 80.010 8.381 -3.266 47 HG3 GLN 6 HG1 GLN 6 78.708 7.219 -3.038 48 HE21 GLN 6 HE21 GLN 6 81.595 7.192 -2.508 49 HE22 GLN 6 HE22 GLN 6 82.193 5.740 -3.221 50 H VAL 7 HN VAL 7 75.788 8.823 -6.105 51 HA VAL 7 HA VAL 7 74.161 8.156 -3.767 52 HB VAL 7 HB VAL 7 72.199 8.818 -5.061 53 HG11 VAL 7 HG11 VAL 7 74.339 10.932 -5.213 54 HG12 VAL 7 HG12 VAL 7 73.360 10.573 -3.804 55 HG13 VAL 7 HG13 VAL 7 72.603 11.230 -5.263 56 HG21 VAL 7 HG21 VAL 7 74.113 9.500 -7.303 57 HG22 VAL 7 HG22 VAL 7 72.383 9.848 -7.285 58 HG23 VAL 7 HG23 VAL 7 72.947 8.176 -7.302 59 H CYS 8 HN CYS 8 72.916 6.327 -3.825 60 HA CYS 8 HA CYS 8 73.069 4.665 -6.209 61 HB2 CYS 8 HB2 CYS 8 74.794 3.850 -4.543 62 HB3 CYS 8 HB1 CYS 8 73.483 3.601 -3.394 63 HG CYS 8 HG CYS 8 73.185 2.099 -6.372 64 H SER 9 HN SER 9 71.185 3.629 -6.607 65 HA SER 9 HA SER 9 68.996 4.229 -4.788 66 HB2 SER 9 HB2 SER 9 68.667 5.029 -7.087 67 HB3 SER 9 HB1 SER 9 68.938 3.415 -7.741 68 HG SER 9 HG SER 9 66.837 4.489 -6.244 69 H LEU 10 HN LEU 10 67.918 2.607 -3.896 70 HA LEU 10 HA LEU 10 68.872 -0.112 -4.494 71 HB2 LEU 10 HB2 LEU 10 67.927 1.014 -1.881 72 HB3 LEU 10 HB1 LEU 10 68.365 -0.649 -2.149 73 HG LEU 10 HG LEU 10 70.230 1.715 -2.302 74 HD11 LEU 10 HD11 LEU 10 69.506 1.195 -0.033 75 HD12 LEU 10 HD12 LEU 10 71.203 0.759 -0.252 76 HD13 LEU 10 HD13 LEU 10 69.960 -0.492 -0.262 77 HD21 LEU 10 HD21 LEU 10 70.796 -1.244 -2.554 78 HD22 LEU 10 HD22 LEU 10 72.015 0.022 -2.449 79 HD23 LEU 10 HD23 LEU 10 70.926 -0.034 -3.834 80 H VAL 11 HN VAL 11 67.382 -1.424 -5.169 81 HA VAL 11 HA VAL 11 64.566 -0.665 -4.876 82 HB VAL 11 HB VAL 11 65.727 -2.980 -6.477 83 HG11 VAL 11 HG11 VAL 11 62.966 -1.753 -6.526 84 HG12 VAL 11 HG12 VAL 11 63.397 -3.323 -5.852 85 HG13 VAL 11 HG13 VAL 11 63.536 -3.045 -7.584 86 HG21 VAL 11 HG21 VAL 11 64.837 -0.267 -7.465 87 HG22 VAL 11 HG22 VAL 11 65.342 -1.615 -8.480 88 HG23 VAL 11 HG23 VAL 11 66.501 -0.849 -7.397 89 H VAL 12 HN VAL 12 63.921 -1.237 -2.941 90 HA VAL 12 HA VAL 12 64.846 -3.730 -1.769 91 HB VAL 12 HB VAL 12 63.142 -1.543 -0.558 92 HG11 VAL 12 HG11 VAL 12 63.615 -2.581 1.586 93 HG12 VAL 12 HG12 VAL 12 64.605 -3.805 0.810 94 HG13 VAL 12 HG13 VAL 12 62.870 -3.762 0.505 95 HG21 VAL 12 HG21 VAL 12 66.099 -2.064 -0.255 96 HG22 VAL 12 HG22 VAL 12 65.174 -0.867 0.651 97 HG23 VAL 12 HG23 VAL 12 65.361 -0.701 -1.095 98 H GLN 13 HN GLN 13 63.702 -5.419 -2.358 99 HA GLN 13 HA GLN 13 60.840 -5.278 -2.797 100 HB2 GLN 13 HB2 GLN 13 62.397 -6.708 -4.169 101 HB3 GLN 13 HB1 GLN 13 62.736 -7.642 -2.723 102 HG2 GLN 13 HG2 GLN 13 60.336 -8.229 -2.615 103 HG3 GLN 13 HG1 GLN 13 60.109 -7.413 -4.163 104 HE21 GLN 13 HE21 GLN 13 61.093 -8.293 -6.026 105 HE22 GLN 13 HE22 GLN 13 61.616 -9.937 -6.053 106 H ALA 14 HN ALA 14 59.511 -5.447 -1.057 107 HA ALA 14 HA ALA 14 60.496 -6.784 1.348 108 HB1 ALA 14 HB1 ALA 14 61.117 -4.464 1.548 109 HB2 ALA 14 HB2 ALA 14 59.798 -4.854 2.664 110 HB3 ALA 14 HB3 ALA 14 59.464 -3.970 1.178 111 H LYS 15 HN LYS 15 58.748 -6.809 3.010 112 HA LYS 15 HA LYS 15 56.288 -7.869 2.000 113 HB2 LYS 15 HB2 LYS 15 57.110 -7.043 4.776 114 HB3 LYS 15 HB1 LYS 15 55.562 -7.775 4.499 115 HG2 LYS 15 HG2 LYS 15 56.696 -9.632 5.108 116 HG3 LYS 15 HG1 LYS 15 57.218 -9.642 3.434 117 HD2 LYS 15 HD2 LYS 15 59.226 -8.376 4.057 118 HD3 LYS 15 HD1 LYS 15 58.708 -8.395 5.741 119 HE2 LYS 15 HE2 LYS 15 59.422 -10.781 4.046 120 HE3 LYS 15 HE1 LYS 15 60.380 -10.079 5.356 121 HZ1 LYS 15 HZ1 LYS 15 57.703 -11.333 5.697 122 HZ2 LYS 15 HZ2 LYS 15 58.717 -10.807 6.944 123 HZ3 LYS 15 HZ3 LYS 15 59.149 -12.108 5.984 124 H SER 16 HN SER 16 54.601 -6.724 1.340 125 HA SER 16 HA SER 16 54.518 -3.948 1.321 126 HB2 SER 16 HB2 SER 16 53.349 -5.303 -0.324 127 HB3 SER 16 HB1 SER 16 52.272 -5.934 0.923 128 HG SER 16 HG SER 16 52.116 -3.684 -0.512 129 H GLU 17 HN GLU 17 52.889 -6.254 3.451 130 HA GLU 17 HA GLU 17 51.388 -4.302 4.856 131 HB2 GLU 17 HB2 GLU 17 51.025 -6.087 6.529 132 HB3 GLU 17 HB1 GLU 17 50.667 -6.580 4.881 133 HG2 GLU 17 HG2 GLU 17 52.775 -7.780 4.762 134 HG3 GLU 17 HG1 GLU 17 53.184 -7.232 6.381 135 H ARG 18 HN ARG 18 54.662 -5.080 4.984 136 HA ARG 18 HA ARG 18 54.916 -3.966 7.697 137 HB2 ARG 18 HB2 ARG 18 55.767 -6.286 7.182 138 HB3 ARG 18 HB1 ARG 18 56.982 -5.515 6.172 139 HG2 ARG 18 HG2 ARG 18 57.763 -4.242 8.128 140 HG3 ARG 18 HG1 ARG 18 56.510 -5.055 9.070 141 HD2 ARG 18 HD2 ARG 18 58.665 -6.454 7.598 142 HD3 ARG 18 HD1 ARG 18 58.764 -6.012 9.318 143 HE ARG 18 HE ARG 18 56.524 -7.656 8.413 144 HH11 ARG 18 HH11 ARG 18 59.435 -7.389 10.442 145 HH12 ARG 18 HH12 ARG 18 59.384 -9.011 10.930 146 HH21 ARG 18 HH21 ARG 18 56.434 -9.854 9.154 147 HH22 ARG 18 HH22 ARG 18 57.628 -10.436 10.226 148 H ILE 19 HN ILE 19 54.896 -2.957 4.636 149 HA ILE 19 HA ILE 19 57.335 -1.785 4.152 150 HB ILE 19 HB ILE 19 54.639 -1.368 3.018 151 HG12 ILE 19 HG12 ILE 19 57.366 -1.898 1.834 152 HG13 ILE 19 HG11 ILE 19 56.125 -3.100 2.160 153 HG21 ILE 19 HG21 ILE 19 55.264 0.953 3.222 154 HG22 ILE 19 HG22 ILE 19 55.385 0.467 1.525 155 HG23 ILE 19 HG23 ILE 19 56.839 0.626 2.506 156 HD11 ILE 19 HD11 ILE 19 54.725 -2.140 0.457 157 HD12 ILE 19 HD12 ILE 19 56.342 -2.470 -0.201 158 HD13 ILE 19 HD13 ILE 19 55.877 -0.828 0.214 159 H SER 20 HN SER 20 54.732 -0.381 6.065 160 HA SER 20 HA SER 20 55.831 2.219 6.057 161 HB2 SER 20 HB2 SER 20 54.097 0.975 8.204 162 HB3 SER 20 HB1 SER 20 54.232 2.687 7.787 163 HG SER 20 HG SER 20 52.694 0.768 6.720 164 H ASP 21 HN ASP 21 56.293 -0.608 8.054 165 HA ASP 21 HA ASP 21 57.890 0.629 10.082 166 HB2 ASP 21 HB2 ASP 21 57.723 -2.280 9.257 167 HB3 ASP 21 HB1 ASP 21 58.399 -1.673 10.760 168 H ILE 22 HN ILE 22 58.437 -1.164 7.160 169 HA ILE 22 HA ILE 22 61.248 -1.399 7.384 170 HB ILE 22 HB ILE 22 59.490 -1.565 4.920 171 HG12 ILE 22 HG12 ILE 22 60.651 -3.735 6.669 172 HG13 ILE 22 HG11 ILE 22 58.992 -3.160 6.750 173 HG21 ILE 22 HG21 ILE 22 62.329 -2.538 5.281 174 HG22 ILE 22 HG22 ILE 22 61.851 -1.131 4.344 175 HG23 ILE 22 HG23 ILE 22 61.332 -2.740 3.836 176 HD11 ILE 22 HD11 ILE 22 58.732 -3.874 4.371 177 HD12 ILE 22 HD12 ILE 22 59.023 -5.177 5.520 178 HD13 ILE 22 HD13 ILE 22 60.343 -4.598 4.500 179 H SER 23 HN SER 23 59.202 0.890 5.560 180 HA SER 23 HA SER 23 61.312 2.283 4.357 181 HB2 SER 23 HB2 SER 23 59.551 4.102 4.072 182 HB3 SER 23 HB1 SER 23 59.140 2.515 3.419 183 HG SER 23 HG SER 23 57.722 2.203 4.982 184 H THR 24 HN THR 24 59.747 2.670 7.453 185 HA THR 24 HA THR 24 60.952 5.185 8.026 186 HB THR 24 HB THR 24 59.702 3.158 9.918 187 HG1 THR 24 HG1 THR 24 58.113 3.730 8.530 188 HG21 THR 24 HG21 THR 24 60.151 6.141 10.232 189 HG22 THR 24 HG22 THR 24 61.056 4.875 11.067 190 HG23 THR 24 HG23 THR 24 59.339 5.087 11.395 191 H GLN 25 HN GLN 25 61.759 1.807 8.550 192 HA GLN 25 HA GLN 25 63.962 2.301 10.223 193 HB2 GLN 25 HB2 GLN 25 62.574 -0.015 9.294 194 HB3 GLN 25 HB1 GLN 25 64.189 -0.127 8.705 195 HG2 GLN 25 HG2 GLN 25 65.146 -0.113 10.823 196 HG3 GLN 25 HG1 GLN 25 63.683 0.585 11.527 197 HE21 GLN 25 HE21 GLN 25 61.839 -1.265 10.314 198 HE22 GLN 25 HE22 GLN 25 62.065 -2.775 11.132 199 H LEU 26 HN LEU 26 63.596 1.838 6.669 200 HA LEU 26 HA LEU 26 66.294 1.906 6.038 201 HB2 LEU 26 HB2 LEU 26 63.964 2.856 4.295 202 HB3 LEU 26 HB1 LEU 26 65.568 2.395 3.852 203 HG LEU 26 HG LEU 26 63.734 0.408 5.128 204 HD11 LEU 26 HD11 LEU 26 64.135 0.978 2.188 205 HD12 LEU 26 HD12 LEU 26 62.650 1.244 3.101 206 HD13 LEU 26 HD13 LEU 26 63.256 -0.392 2.858 207 HD21 LEU 26 HD21 LEU 26 66.159 0.174 3.381 208 HD22 LEU 26 HD22 LEU 26 65.251 -1.176 4.070 209 HD23 LEU 26 HD23 LEU 26 66.141 -0.072 5.122 210 H ASN 27 HN ASN 27 63.854 4.444 6.392 211 HA ASN 27 HA ASN 27 65.379 6.651 5.517 212 HB2 ASN 27 HB2 ASN 27 62.851 6.424 5.857 213 HB3 ASN 27 HB1 ASN 27 63.163 6.713 7.560 214 HD21 ASN 27 HD21 ASN 27 62.804 8.056 4.503 215 HD22 ASN 27 HD22 ASN 27 63.034 9.718 4.894 216 H ALA 28 HN ALA 28 65.604 4.784 8.357 217 HA ALA 28 HA ALA 28 66.244 6.867 10.198 218 HB1 ALA 28 HB1 ALA 28 66.656 3.905 10.507 219 HB2 ALA 28 HB2 ALA 28 65.179 4.768 10.914 220 HB3 ALA 28 HB3 ALA 28 66.678 5.114 11.788 221 H PHE 29 HN PHE 29 68.168 4.927 7.969 222 HA PHE 29 HA PHE 29 70.514 5.261 9.474 223 HB2 PHE 29 HB2 PHE 29 70.176 4.362 6.622 224 HB3 PHE 29 HB1 PHE 29 71.531 4.113 7.690 225 HD1 PHE 29 HD1 PHE 29 71.017 2.855 9.943 226 HD2 PHE 29 HD2 PHE 29 68.633 2.619 6.421 227 HE1 PHE 29 HE1 PHE 29 70.064 0.719 10.725 228 HE2 PHE 29 HE2 PHE 29 67.675 0.496 7.214 229 HZ PHE 29 HZ PHE 29 68.385 -0.452 9.350 230 HA PRO 30 HA PRO 30 71.354 9.358 8.017 231 HB2 PRO 30 HB2 PRO 30 74.229 8.792 8.239 232 HB3 PRO 30 HB1 PRO 30 73.246 9.939 9.149 233 HG2 PRO 30 HG2 PRO 30 74.211 7.679 10.260 234 HG3 PRO 30 HG1 PRO 30 72.660 8.383 10.739 235 HD2 PRO 30 HD2 PRO 30 73.191 6.026 8.959 236 HD3 PRO 30 HD1 PRO 30 71.923 6.284 10.174 237 H GLY 31 HN GLY 31 70.854 9.495 5.920 238 HA2 GLY 31 HA2 GLY 31 71.869 10.270 3.844 239 HA3 GLY 31 HA1 GLY 31 73.044 8.974 4.014 240 H CYS 32 HN CYS 32 70.251 7.676 4.992 241 HA CYS 32 HA CYS 32 69.693 6.577 2.334 242 HB2 CYS 32 HB2 CYS 32 70.629 4.978 3.843 243 HB3 CYS 32 HB1 CYS 32 69.465 5.413 5.099 244 HG CYS 32 HG CYS 32 67.659 3.883 4.438 245 H GLU 33 HN GLU 33 67.837 7.242 1.527 246 HA GLU 33 HA GLU 33 65.579 7.778 3.335 247 HB2 GLU 33 HB2 GLU 33 66.640 9.901 2.758 248 HB3 GLU 33 HB1 GLU 33 66.524 9.511 1.051 249 HG2 GLU 33 HG2 GLU 33 64.083 9.575 1.205 250 HG3 GLU 33 HG1 GLU 33 64.202 9.969 2.918 251 H VAL 34 HN VAL 34 63.642 7.012 2.562 252 HA VAL 34 HA VAL 34 63.682 5.472 0.134 253 HB VAL 34 HB VAL 34 61.344 6.123 1.935 254 HG11 VAL 34 HG11 VAL 34 60.668 5.320 -0.276 255 HG12 VAL 34 HG12 VAL 34 60.285 4.122 0.952 256 HG13 VAL 34 HG13 VAL 34 61.694 3.899 -0.085 257 HG21 VAL 34 HG21 VAL 34 63.091 4.991 3.211 258 HG22 VAL 34 HG22 VAL 34 63.129 3.686 2.023 259 HG23 VAL 34 HG23 VAL 34 61.688 3.949 2.996 260 H ALA 35 HN ALA 35 63.238 6.319 -1.760 261 HA ALA 35 HA ALA 35 62.207 9.025 -1.905 262 HB1 ALA 35 HB1 ALA 35 62.930 8.962 -4.248 263 HB2 ALA 35 HB2 ALA 35 63.348 7.259 -4.082 264 HB3 ALA 35 HB3 ALA 35 64.241 8.475 -3.176 265 H VAL 36 HN VAL 36 61.630 6.074 -3.822 266 HA VAL 36 HA VAL 36 58.832 6.951 -4.084 267 HB VAL 36 HB VAL 36 60.369 5.083 -5.921 268 HG11 VAL 36 HG11 VAL 36 57.652 6.335 -6.250 269 HG12 VAL 36 HG12 VAL 36 57.994 4.634 -5.939 270 HG13 VAL 36 HG13 VAL 36 58.498 5.374 -7.459 271 HG21 VAL 36 HG21 VAL 36 59.653 7.986 -6.319 272 HG22 VAL 36 HG22 VAL 36 60.358 6.929 -7.543 273 HG23 VAL 36 HG23 VAL 36 61.277 7.337 -6.089 274 H SER 37 HN SER 37 57.483 5.796 -2.812 275 HA SER 37 HA SER 37 58.228 3.067 -2.148 276 HB2 SER 37 HB2 SER 37 56.357 3.315 -0.467 277 HB3 SER 37 HB1 SER 37 57.729 4.393 -0.217 278 HG SER 37 HG SER 37 56.422 5.974 -0.389 279 H ASP 38 HN ASP 38 57.108 1.330 -2.980 280 HA ASP 38 HA ASP 38 54.514 1.909 -4.194 281 HB2 ASP 38 HB2 ASP 38 56.294 1.395 -5.953 282 HB3 ASP 38 HB1 ASP 38 56.465 -0.173 -5.159 283 H ALA 39 HN ALA 39 53.486 1.351 -2.364 284 HA ALA 39 HA ALA 39 53.853 -0.965 -0.880 285 HB1 ALA 39 HB1 ALA 39 51.667 -0.515 0.090 286 HB2 ALA 39 HB2 ALA 39 51.299 0.606 -1.221 287 HB3 ALA 39 HB3 ALA 39 52.586 0.981 -0.076 288 HA PRO 40 HA PRO 40 50.121 -2.793 -3.805 289 HB2 PRO 40 HB2 PRO 40 50.878 -2.223 -6.433 290 HB3 PRO 40 HB1 PRO 40 49.576 -1.406 -5.552 291 HG2 PRO 40 HG2 PRO 40 52.475 -0.698 -5.703 292 HG3 PRO 40 HG1 PRO 40 51.202 0.425 -6.088 293 HD2 PRO 40 HD2 PRO 40 52.180 0.647 -3.782 294 HD3 PRO 40 HD1 PRO 40 50.435 0.285 -3.745 295 H SER 41 HN SER 41 53.488 -2.450 -5.162 296 HA SER 41 HA SER 41 53.407 -5.304 -5.737 297 HB2 SER 41 HB2 SER 41 54.301 -3.525 -7.358 298 HB3 SER 41 HB1 SER 41 55.694 -3.408 -6.292 299 HG SER 41 HG SER 41 56.466 -5.068 -7.313 300 H GLY 42 HN GLY 42 54.829 -3.055 -3.483 301 HA2 GLY 42 HA2 GLY 42 55.626 -3.791 -1.368 302 HA3 GLY 42 HA1 GLY 42 56.017 -5.337 -2.099 303 H GLN 43 HN GLN 43 56.866 -2.378 -3.711 304 HA GLN 43 HA GLN 43 59.681 -3.056 -3.246 305 HB2 GLN 43 HB2 GLN 43 58.323 -1.946 -5.694 306 HB3 GLN 43 HB1 GLN 43 60.065 -2.112 -5.519 307 HG2 GLN 43 HG2 GLN 43 59.940 -4.463 -5.452 308 HG3 GLN 43 HG1 GLN 43 58.194 -4.437 -5.218 309 HE21 GLN 43 HE21 GLN 43 59.766 -2.357 -7.545 310 HE22 GLN 43 HE22 GLN 43 59.173 -3.195 -8.914 311 H LEU 44 HN LEU 44 60.948 -1.506 -2.512 312 HA LEU 44 HA LEU 44 59.882 1.234 -2.410 313 HB2 LEU 44 HB2 LEU 44 61.703 -0.102 -0.397 314 HB3 LEU 44 HB1 LEU 44 61.074 1.526 -0.323 315 HG LEU 44 HG LEU 44 59.384 -0.968 -0.150 316 HD11 LEU 44 HD11 LEU 44 59.134 -0.378 2.210 317 HD12 LEU 44 HD12 LEU 44 60.293 0.935 2.001 318 HD13 LEU 44 HD13 LEU 44 60.808 -0.740 1.798 319 HD21 LEU 44 HD21 LEU 44 58.702 1.939 0.272 320 HD22 LEU 44 HD22 LEU 44 57.622 0.573 0.544 321 HD23 LEU 44 HD23 LEU 44 58.183 0.937 -1.087 322 H ILE 45 HN ILE 45 61.088 2.673 -3.450 323 HA ILE 45 HA ILE 45 63.781 1.965 -4.298 324 HB ILE 45 HB ILE 45 61.955 4.295 -4.955 325 HG12 ILE 45 HG12 ILE 45 61.371 2.165 -6.059 326 HG13 ILE 45 HG11 ILE 45 61.893 3.381 -7.225 327 HG21 ILE 45 HG21 ILE 45 64.751 3.844 -5.985 328 HG22 ILE 45 HG22 ILE 45 64.208 5.145 -4.929 329 HG23 ILE 45 HG23 ILE 45 63.617 5.054 -6.590 330 HD11 ILE 45 HD11 ILE 45 64.105 2.299 -7.296 331 HD12 ILE 45 HD12 ILE 45 62.798 1.225 -7.797 332 HD13 ILE 45 HD13 ILE 45 63.510 1.058 -6.189 333 H VAL 46 HN VAL 46 65.388 2.534 -3.074 334 HA VAL 46 HA VAL 46 65.041 4.735 -1.159 335 HB VAL 46 HB VAL 46 66.819 2.274 -0.983 336 HG11 VAL 46 HG11 VAL 46 67.934 4.222 -0.022 337 HG12 VAL 46 HG12 VAL 46 67.452 3.083 1.234 338 HG13 VAL 46 HG13 VAL 46 66.516 4.550 0.967 339 HG21 VAL 46 HG21 VAL 46 65.492 1.649 0.911 340 HG22 VAL 46 HG22 VAL 46 64.412 1.890 -0.476 341 HG23 VAL 46 HG23 VAL 46 64.539 3.112 0.792 342 H VAL 47 HN VAL 47 66.478 6.368 -1.208 343 HA VAL 47 HA VAL 47 68.650 6.094 -3.114 344 HB VAL 47 HB VAL 47 67.036 7.835 -3.809 345 HG11 VAL 47 HG11 VAL 47 67.620 9.220 -1.203 346 HG12 VAL 47 HG12 VAL 47 66.097 8.472 -1.677 347 HG13 VAL 47 HG13 VAL 47 66.693 9.891 -2.545 348 HG21 VAL 47 HG21 VAL 47 69.650 9.000 -2.864 349 HG22 VAL 47 HG22 VAL 47 68.577 9.721 -4.068 350 HG23 VAL 47 HG23 VAL 47 69.355 8.175 -4.399 351 H VAL 48 HN VAL 48 70.483 5.802 -2.236 352 HA VAL 48 HA VAL 48 70.961 6.845 0.461 353 HB VAL 48 HB VAL 48 72.414 4.593 -0.964 354 HG11 VAL 48 HG11 VAL 48 72.506 5.468 1.921 355 HG12 VAL 48 HG12 VAL 48 73.742 5.791 0.716 356 HG13 VAL 48 HG13 VAL 48 73.415 4.126 1.217 357 HG21 VAL 48 HG21 VAL 48 71.261 3.070 0.577 358 HG22 VAL 48 HG22 VAL 48 70.131 3.920 -0.476 359 HG23 VAL 48 HG23 VAL 48 70.324 4.430 1.203 360 H GLU 49 HN GLU 49 72.418 8.404 0.599 361 HA GLU 49 HA GLU 49 74.277 8.748 -1.606 362 HB2 GLU 49 HB2 GLU 49 73.829 11.217 -1.515 363 HB3 GLU 49 HB1 GLU 49 72.471 10.250 -2.068 364 HG2 GLU 49 HG2 GLU 49 71.568 10.380 0.279 365 HG3 GLU 49 HG1 GLU 49 72.812 11.592 0.593 366 H ALA 50 HN ALA 50 76.295 8.891 -0.950 367 HA ALA 50 HA ALA 50 77.042 10.161 1.542 368 HB1 ALA 50 HB1 ALA 50 76.516 7.873 2.289 369 HB2 ALA 50 HB2 ALA 50 78.248 8.178 2.387 370 HB3 ALA 50 HB3 ALA 50 77.593 7.219 1.061 371 H GLU 51 HN GLU 51 79.439 10.344 1.651 372 HA GLU 51 HA GLU 51 80.432 10.848 -0.988 373 HB2 GLU 51 HB2 GLU 51 80.963 12.420 0.820 374 HB3 GLU 51 HB1 GLU 51 81.826 11.148 1.679 375 HG2 GLU 51 HG2 GLU 51 83.402 10.976 -0.199 376 HG3 GLU 51 HG1 GLU 51 82.571 12.287 -1.017 377 H ASP 52 HN ASP 52 81.802 9.035 1.695 378 HA ASP 52 HA ASP 52 83.659 7.721 -0.028 379 HB2 ASP 52 HB2 ASP 52 84.158 8.321 2.355 380 HB3 ASP 52 HB1 ASP 52 83.041 7.055 2.850 381 H SER 53 HN SER 53 83.620 5.678 -0.785 382 HA SER 53 HA SER 53 81.239 4.382 -1.270 383 HB2 SER 53 HB2 SER 53 84.038 3.264 -1.312 384 HB3 SER 53 HB1 SER 53 82.619 2.526 -2.048 385 HG SER 53 HG SER 53 83.363 3.597 -3.657 386 H GLU 54 HN GLU 54 83.587 3.819 1.387 387 HA GLU 54 HA GLU 54 82.470 1.322 2.157 388 HB2 GLU 54 HB2 GLU 54 84.807 2.291 2.651 389 HB3 GLU 54 HB1 GLU 54 84.009 3.234 3.897 390 HG2 GLU 54 HG2 GLU 54 85.028 1.295 4.862 391 HG3 GLU 54 HG1 GLU 54 83.267 1.158 4.960 392 H THR 55 HN THR 55 82.055 4.674 3.043 393 HA THR 55 HA THR 55 80.293 4.369 5.219 394 HB THR 55 HB THR 55 80.479 6.617 3.194 395 HG1 THR 55 HG1 THR 55 82.071 5.814 5.343 396 HG21 THR 55 HG21 THR 55 78.518 6.791 4.687 397 HG22 THR 55 HG22 THR 55 79.708 8.041 5.045 398 HG23 THR 55 HG23 THR 55 79.577 6.625 6.088 399 H LEU 56 HN LEU 56 79.816 4.741 1.735 400 HA LEU 56 HA LEU 56 77.011 4.754 1.667 401 HB2 LEU 56 HB2 LEU 56 78.544 5.386 -0.196 402 HB3 LEU 56 HB1 LEU 56 78.948 3.699 -0.402 403 HG LEU 56 HG LEU 56 76.519 3.282 -0.931 404 HD11 LEU 56 HD11 LEU 56 75.600 5.272 0.086 405 HD12 LEU 56 HD12 LEU 56 75.167 5.179 -1.621 406 HD13 LEU 56 HD13 LEU 56 76.433 6.285 -1.091 407 HD21 LEU 56 HD21 LEU 56 76.707 4.115 -3.228 408 HD22 LEU 56 HD22 LEU 56 78.214 3.395 -2.671 409 HD23 LEU 56 HD23 LEU 56 78.046 5.154 -2.738 410 H ILE 57 HN ILE 57 79.349 2.103 1.219 411 HA ILE 57 HA ILE 57 77.612 -0.026 0.799 412 HB ILE 57 HB ILE 57 80.325 -0.079 2.164 413 HG12 ILE 57 HG12 ILE 57 79.556 -0.664 -0.703 414 HG13 ILE 57 HG11 ILE 57 80.308 0.823 -0.142 415 HG21 ILE 57 HG21 ILE 57 80.401 -2.467 1.577 416 HG22 ILE 57 HG22 ILE 57 78.740 -2.361 0.991 417 HG23 ILE 57 HG23 ILE 57 79.086 -2.098 2.700 418 HD11 ILE 57 HD11 ILE 57 81.930 -0.653 -1.175 419 HD12 ILE 57 HD12 ILE 57 81.510 -1.926 -0.029 420 HD13 ILE 57 HD13 ILE 57 82.276 -0.445 0.543 421 H GLN 58 HN GLN 58 78.953 1.086 3.894 422 HA GLN 58 HA GLN 58 77.677 -0.888 5.430 423 HB2 GLN 58 HB2 GLN 58 78.772 1.801 6.190 424 HB3 GLN 58 HB1 GLN 58 78.130 0.652 7.364 425 HG2 GLN 58 HG2 GLN 58 79.798 -0.962 6.802 426 HG3 GLN 58 HG1 GLN 58 80.343 0.009 5.438 427 HE21 GLN 58 HE21 GLN 58 81.549 1.757 5.788 428 HE22 GLN 58 HE22 GLN 58 82.357 2.087 7.282 429 H THR 59 HN THR 59 76.553 2.234 4.354 430 HA THR 59 HA THR 59 74.232 2.229 5.983 431 HB THR 59 HB THR 59 74.674 3.689 3.348 432 HG1 THR 59 HG1 THR 59 76.307 4.405 4.650 433 HG21 THR 59 HG21 THR 59 72.342 3.693 4.171 434 HG22 THR 59 HG22 THR 59 73.064 5.301 4.276 435 HG23 THR 59 HG23 THR 59 72.899 4.313 5.725 436 H ILE 60 HN ILE 60 75.010 1.061 2.757 437 HA ILE 60 HA ILE 60 72.409 0.194 2.047 438 HB ILE 60 HB ILE 60 75.124 -0.786 1.077 439 HG12 ILE 60 HG12 ILE 60 73.196 1.213 -0.145 440 HG13 ILE 60 HG11 ILE 60 74.702 1.606 0.671 441 HG21 ILE 60 HG21 ILE 60 73.422 -2.469 0.613 442 HG22 ILE 60 HG22 ILE 60 73.932 -1.683 -0.882 443 HG23 ILE 60 HG23 ILE 60 72.398 -1.244 -0.139 444 HD11 ILE 60 HD11 ILE 60 74.430 0.049 -1.888 445 HD12 ILE 60 HD12 ILE 60 75.950 0.432 -1.077 446 HD13 ILE 60 HD13 ILE 60 74.950 1.728 -1.734 447 H GLU 61 HN GLU 61 75.109 -1.350 3.712 448 HA GLU 61 HA GLU 61 73.925 -3.909 3.948 449 HB2 GLU 61 HB2 GLU 61 76.342 -3.459 4.332 450 HB3 GLU 61 HB1 GLU 61 75.918 -2.640 5.828 451 HG2 GLU 61 HG2 GLU 61 74.982 -4.704 6.718 452 HG3 GLU 61 HG1 GLU 61 75.352 -5.526 5.207 453 H SER 62 HN SER 62 73.771 -1.018 5.914 454 HA SER 62 HA SER 62 72.373 -1.946 8.125 455 HB2 SER 62 HB2 SER 62 72.301 0.605 6.604 456 HB3 SER 62 HB1 SER 62 71.534 0.427 8.165 457 HG SER 62 HG SER 62 74.324 0.145 7.524 458 H VAL 63 HN VAL 63 71.268 -0.768 5.007 459 HA VAL 63 HA VAL 63 68.521 -0.964 5.303 460 HB VAL 63 HB VAL 63 70.438 -1.104 3.059 461 HG11 VAL 63 HG11 VAL 63 68.477 -0.877 1.434 462 HG12 VAL 63 HG12 VAL 63 67.397 -1.260 2.782 463 HG13 VAL 63 HG13 VAL 63 68.562 -2.451 2.224 464 HG21 VAL 63 HG21 VAL 63 68.399 0.930 3.885 465 HG22 VAL 63 HG22 VAL 63 69.408 1.065 2.443 466 HG23 VAL 63 HG23 VAL 63 70.155 1.028 4.040 467 H ARG 64 HN ARG 64 70.920 -3.377 4.438 468 HA ARG 64 HA ARG 64 69.017 -5.432 3.783 469 HB2 ARG 64 HB2 ARG 64 71.914 -5.774 4.506 470 HB3 ARG 64 HB1 ARG 64 70.904 -6.929 3.652 471 HG2 ARG 64 HG2 ARG 64 70.707 -5.262 1.815 472 HG3 ARG 64 HG1 ARG 64 71.890 -4.267 2.665 473 HD2 ARG 64 HD2 ARG 64 72.247 -7.031 1.540 474 HD3 ARG 64 HD1 ARG 64 73.032 -5.556 0.992 475 HE ARG 64 HE ARG 64 73.543 -6.336 3.741 476 HH11 ARG 64 HH11 ARG 64 74.760 -6.333 0.420 477 HH12 ARG 64 HH12 ARG 64 76.300 -6.913 0.855 478 HH21 ARG 64 HH21 ARG 64 75.639 -7.157 4.306 479 HH22 ARG 64 HH22 ARG 64 76.824 -7.367 3.092 480 H ASN 65 HN ASN 65 70.126 -4.125 6.657 481 HA ASN 65 HA ASN 65 69.695 -6.549 8.186 482 HB2 ASN 65 HB2 ASN 65 70.890 -3.882 8.817 483 HB3 ASN 65 HB1 ASN 65 70.215 -4.828 10.142 484 HD21 ASN 65 HD21 ASN 65 72.701 -4.726 7.666 485 HD22 ASN 65 HD22 ASN 65 73.701 -5.936 8.374 486 H VAL 66 HN VAL 66 67.797 -4.302 6.850 487 HA VAL 66 HA VAL 66 65.864 -4.037 9.008 488 HB VAL 66 HB VAL 66 65.644 -3.336 6.059 489 HG11 VAL 66 HG11 VAL 66 63.441 -3.756 7.070 490 HG12 VAL 66 HG12 VAL 66 63.671 -2.027 6.785 491 HG13 VAL 66 HG13 VAL 66 63.842 -2.675 8.404 492 HG21 VAL 66 HG21 VAL 66 67.301 -1.975 7.173 493 HG22 VAL 66 HG22 VAL 66 66.180 -1.648 8.492 494 HG23 VAL 66 HG23 VAL 66 65.847 -1.010 6.882 495 H GLU 67 HN GLU 67 64.658 -5.361 9.575 496 HA GLU 67 HA GLU 67 64.408 -7.959 9.210 497 HB2 GLU 67 HB2 GLU 67 62.229 -7.739 10.249 498 HB3 GLU 67 HB1 GLU 67 63.466 -6.739 11.009 499 HG2 GLU 67 HG2 GLU 67 62.640 -4.785 9.751 500 HG3 GLU 67 HG1 GLU 67 61.380 -5.786 9.050 501 H GLY 68 HN GLY 68 62.677 -5.698 7.133 502 HA2 GLY 68 HA2 GLY 68 61.090 -7.971 6.200 503 HA3 GLY 68 HA1 GLY 68 60.633 -6.291 6.019 504 H VAL 69 HN VAL 69 63.897 -6.893 5.316 505 HA VAL 69 HA VAL 69 63.253 -6.412 2.532 506 HB VAL 69 HB VAL 69 66.049 -6.589 3.758 507 HG11 VAL 69 HG11 VAL 69 65.177 -5.703 1.039 508 HG12 VAL 69 HG12 VAL 69 66.147 -7.115 1.450 509 HG13 VAL 69 HG13 VAL 69 66.787 -5.496 1.726 510 HG21 VAL 69 HG21 VAL 69 66.049 -4.161 3.621 511 HG22 VAL 69 HG22 VAL 69 64.736 -4.726 4.660 512 HG23 VAL 69 HG23 VAL 69 64.387 -4.185 3.021 513 H LEU 70 HN LEU 70 63.079 -7.881 1.075 514 HA LEU 70 HA LEU 70 63.812 -10.647 1.662 515 HB2 LEU 70 HB2 LEU 70 62.409 -9.441 -0.728 516 HB3 LEU 70 HB1 LEU 70 62.583 -11.146 -0.393 517 HG LEU 70 HG LEU 70 60.962 -9.196 1.237 518 HD11 LEU 70 HD11 LEU 70 60.099 -11.383 -0.649 519 HD12 LEU 70 HD12 LEU 70 59.994 -9.651 -0.958 520 HD13 LEU 70 HD13 LEU 70 59.039 -10.375 0.336 521 HD21 LEU 70 HD21 LEU 70 61.343 -12.176 1.467 522 HD22 LEU 70 HD22 LEU 70 60.108 -11.249 2.293 523 HD23 LEU 70 HD23 LEU 70 61.815 -10.945 2.650 524 H ALA 71 HN ALA 71 64.098 -8.300 -0.928 525 HA ALA 71 HA ALA 71 66.804 -9.166 -1.499 526 HB1 ALA 71 HB1 ALA 71 66.309 -9.271 -3.884 527 HB2 ALA 71 HB2 ALA 71 64.608 -8.942 -3.556 528 HB3 ALA 71 HB3 ALA 71 65.332 -10.453 -3.008 529 H VAL 72 HN VAL 72 67.988 -7.410 -1.755 530 HA VAL 72 HA VAL 72 66.637 -5.020 -2.681 531 HB VAL 72 HB VAL 72 67.084 -4.566 -0.371 532 HG11 VAL 72 HG11 VAL 72 68.677 -6.278 0.127 533 HG12 VAL 72 HG12 VAL 72 69.231 -4.705 0.674 534 HG13 VAL 72 HG13 VAL 72 69.934 -5.425 -0.785 535 HG21 VAL 72 HG21 VAL 72 68.611 -2.655 -0.457 536 HG22 VAL 72 HG22 VAL 72 67.557 -2.713 -1.875 537 HG23 VAL 72 HG23 VAL 72 69.236 -3.232 -2.002 538 H SER 73 HN SER 73 67.198 -4.503 -4.541 539 HA SER 73 HA SER 73 69.648 -5.538 -5.695 540 HB2 SER 73 HB2 SER 73 67.403 -5.692 -6.863 541 HB3 SER 73 HB1 SER 73 67.452 -3.939 -7.033 542 HG SER 73 HG SER 73 69.023 -5.909 -8.235 543 H LEU 74 HN LEU 74 71.370 -4.319 -6.189 544 HA LEU 74 HA LEU 74 71.365 -1.557 -5.262 545 HB2 LEU 74 HB2 LEU 74 73.058 -3.115 -4.350 546 HB3 LEU 74 HB1 LEU 74 73.651 -3.422 -5.964 547 HG LEU 74 HG LEU 74 73.765 -0.618 -4.885 548 HD11 LEU 74 HD11 LEU 74 75.781 -2.798 -4.305 549 HD12 LEU 74 HD12 LEU 74 74.704 -2.057 -3.119 550 HD13 LEU 74 HD13 LEU 74 75.937 -1.084 -3.912 551 HD21 LEU 74 HD21 LEU 74 75.784 -0.547 -6.262 552 HD22 LEU 74 HD22 LEU 74 74.381 -1.022 -7.218 553 HD23 LEU 74 HD23 LEU 74 75.555 -2.238 -6.703 554 H VAL 75 HN VAL 75 70.970 -0.024 -6.571 555 HA VAL 75 HA VAL 75 71.521 -0.429 -9.384 556 HB VAL 75 HB VAL 75 69.869 1.695 -8.014 557 HG11 VAL 75 HG11 VAL 75 70.143 1.040 -10.969 558 HG12 VAL 75 HG12 VAL 75 70.761 2.481 -10.166 559 HG13 VAL 75 HG13 VAL 75 69.022 2.220 -10.291 560 HG21 VAL 75 HG21 VAL 75 67.915 0.512 -8.923 561 HG22 VAL 75 HG22 VAL 75 68.835 -0.490 -7.796 562 HG23 VAL 75 HG23 VAL 75 68.977 -0.753 -9.535 563 H TYR 76 HN TYR 76 73.652 -0.148 -9.275 564 HA TYR 76 HA TYR 76 74.467 2.583 -9.710 565 HB2 TYR 76 HB2 TYR 76 75.135 2.127 -7.308 566 HB3 TYR 76 HB1 TYR 76 76.042 0.728 -7.868 567 HD1 TYR 76 HD1 TYR 76 75.905 4.421 -7.898 568 HD2 TYR 76 HD2 TYR 76 78.225 0.970 -8.811 569 HE1 TYR 76 HE1 TYR 76 77.887 5.846 -8.227 570 HE2 TYR 76 HE2 TYR 76 80.206 2.383 -9.141 571 HH TYR 76 HH TYR 76 80.574 4.753 -9.811 572 H HIS 77 HN HIS 77 75.973 2.597 -11.415 573 HA HIS 77 HA HIS 77 76.049 0.033 -12.750 574 HB2 HIS 77 HB2 HIS 77 76.773 2.771 -13.822 575 HB3 HIS 77 HB1 HIS 77 76.713 1.288 -14.762 576 HD1 HIS 77 HD1 HIS 77 74.822 4.074 -14.750 577 HD2 HIS 77 HD2 HIS 77 73.842 0.152 -13.843 578 HE1 HIS 77 HE1 HIS 77 72.317 3.902 -15.013 579 H GLN 78 HN GLN 78 77.759 -1.100 -13.178 580 HA GLN 78 HA GLN 78 80.200 -0.501 -11.792 581 HB2 GLN 78 HB2 GLN 78 80.934 -2.716 -12.554 582 HB3 GLN 78 HB1 GLN 78 79.354 -2.797 -11.793 583 HG2 GLN 78 HG2 GLN 78 78.307 -2.928 -14.006 584 HG3 GLN 78 HG1 GLN 78 79.893 -2.829 -14.767 585 HE21 GLN 78 HE21 GLN 78 77.941 -4.962 -14.998 586 HE22 GLN 78 HE22 GLN 78 78.714 -6.384 -14.418 587 H GLN 79 HN GLN 79 82.296 -0.574 -12.881 588 HA GLN 79 HA GLN 79 82.207 1.053 -15.240 589 HB2 GLN 79 HB2 GLN 79 83.825 1.540 -13.460 590 HB3 GLN 79 HB1 GLN 79 84.544 -0.045 -13.699 591 HG2 GLN 79 HG2 GLN 79 85.879 1.772 -14.683 592 HG3 GLN 79 HG1 GLN 79 85.362 0.568 -15.858 593 HE21 GLN 79 HE21 GLN 79 83.194 3.074 -14.644 594 HE22 GLN 79 HE22 GLN 79 83.123 3.942 -16.122 595 H GLU 80 HN GLU 80 82.940 -2.295 -14.472 596 HA GLU 80 HA GLU 80 83.849 -2.863 -17.125 597 HB2 GLU 80 HB2 GLU 80 82.876 -4.794 -14.987 598 HB3 GLU 80 HB1 GLU 80 83.585 -5.258 -16.516 599 HG2 GLU 80 HG2 GLU 80 85.253 -5.552 -14.869 600 HG3 GLU 80 HG1 GLU 80 85.692 -4.116 -15.786 601 H GLU 81 HN GLU 81 82.269 -2.010 -18.370 602 HA GLU 81 HA GLU 81 79.518 -2.439 -18.085 603 HB2 GLU 81 HB2 GLU 81 79.364 -1.576 -20.417 604 HB3 GLU 81 HB1 GLU 81 80.263 -0.551 -19.310 605 HG2 GLU 81 HG2 GLU 81 82.362 -1.516 -20.213 606 HG3 GLU 81 HG1 GLU 81 81.392 -2.397 -21.391 607 H GLN 82 HN GLN 82 81.856 -4.146 -20.028 608 HA GLN 82 HA GLN 82 79.814 -5.989 -20.986 609 HB2 GLN 82 HB2 GLN 82 82.807 -5.922 -21.440 610 HB3 GLN 82 HB1 GLN 82 81.732 -7.121 -22.128 611 HG2 GLN 82 HG2 GLN 82 81.586 -4.162 -22.649 612 HG3 GLN 82 HG1 GLN 82 82.313 -5.357 -23.720 613 HE21 GLN 82 HE21 GLN 82 80.972 -6.826 -24.781 614 HE22 GLN 82 HE22 GLN 82 79.293 -6.530 -24.990 615 H GLY 83 HN GLY 83 82.525 -5.826 -18.838 616 HA2 GLY 83 HA2 GLY 83 82.550 -7.032 -16.767 617 HA3 GLY 83 HA1 GLY 83 81.598 -8.291 -17.545 618 H GLU 84 HN GLU 84 84.031 -8.687 -16.148 619 HA GLU 84 HA GLU 84 85.987 -9.222 -18.217 620 HB2 GLU 84 HB2 GLU 84 86.699 -8.328 -16.020 621 HB3 GLU 84 HB1 GLU 84 86.033 -9.753 -15.239 622 HG2 GLU 84 HG2 GLU 84 87.680 -11.162 -16.292 623 HG3 GLU 84 HG1 GLU 84 88.284 -9.799 -17.240 624 H GLU 85 HN GLU 85 85.792 -11.016 -19.354 625 HA GLU 85 HA GLU 85 84.666 -13.381 -18.034 626 HB2 GLU 85 HB2 GLU 85 83.065 -12.392 -19.575 627 HB3 GLU 85 HB1 GLU 85 84.249 -12.467 -20.868 628 HG2 GLU 85 HG2 GLU 85 84.255 -14.943 -20.586 629 HG3 GLU 85 HG1 GLU 85 82.891 -14.756 -19.480 630 H THR 86 HN THR 86 86.301 -12.629 -21.149 631 HA THR 86 HA THR 86 88.212 -14.714 -20.420 632 HB THR 86 HB THR 86 87.205 -14.268 -23.236 633 HG1 THR 86 HG1 THR 86 86.150 -15.691 -21.095 634 HG21 THR 86 HG21 THR 86 88.730 -16.519 -21.919 635 HG22 THR 86 HG22 THR 86 89.421 -15.302 -22.987 636 HG23 THR 86 HG23 THR 86 88.238 -16.449 -23.614 637 HA PRO 87 HA PRO 87 90.855 -11.264 -21.758 638 HB2 PRO 87 HB2 PRO 87 92.441 -11.359 -19.522 639 HB3 PRO 87 HB1 PRO 87 90.984 -10.365 -19.649 640 HG2 PRO 87 HG2 PRO 87 91.452 -12.649 -17.959 641 HG3 PRO 87 HG1 PRO 87 90.007 -11.641 -18.050 642 HD2 PRO 87 HD2 PRO 87 90.543 -14.267 -19.279 643 HD3 PRO 87 HD1 PRO 87 88.990 -13.473 -18.933 644 H ARG 88 HN ARG 88 91.015 -14.218 -22.183 645 HA ARG 88 HA ARG 88 93.880 -14.789 -21.854 646 HB2 ARG 88 HB2 ARG 88 91.618 -16.621 -22.646 647 HB3 ARG 88 HB1 ARG 88 93.278 -17.105 -22.377 648 HG2 ARG 88 HG2 ARG 88 93.082 -16.583 -20.023 649 HG3 ARG 88 HG1 ARG 88 91.435 -15.984 -20.270 650 HD2 ARG 88 HD2 ARG 88 90.782 -18.202 -21.108 651 HD3 ARG 88 HD1 ARG 88 92.407 -18.793 -20.799 652 HE ARG 88 HE ARG 88 91.480 -17.794 -18.413 653 HH11 ARG 88 HH11 ARG 88 90.529 -20.318 -20.700 654 HH12 ARG 88 HH12 ARG 88 89.837 -21.338 -19.514 655 HH21 ARG 88 HH21 ARG 88 90.525 -19.235 -16.762 656 HH22 ARG 88 HH22 ARG 88 89.821 -20.696 -17.255 657 H SER 89 HN SER 89 94.960 -15.825 -23.695 658 HA SER 89 HA SER 89 94.069 -14.790 -26.239 659 HB2 SER 89 HB2 SER 89 96.587 -16.326 -25.517 660 HB3 SER 89 HB1 SER 89 96.295 -15.457 -27.020 661 HG SER 89 HG SER 89 95.976 -13.580 -25.585 662 H HIS 90 HN HIS 90 92.632 -16.021 -27.224 663 HA HIS 90 HA HIS 90 93.027 -18.924 -27.214 664 HB2 HIS 90 HB2 HIS 90 90.610 -19.337 -26.858 665 HB3 HIS 90 HB1 HIS 90 91.375 -18.548 -25.486 666 HD1 HIS 90 HD1 HIS 90 88.537 -18.236 -27.777 667 HD2 HIS 90 HD2 HIS 90 90.737 -15.713 -25.319 668 HE1 HIS 90 HE1 HIS 90 87.101 -16.204 -27.396 669 H HIS 91 HN HIS 91 92.137 -16.112 -28.966 670 HA HIS 91 HA HIS 91 90.840 -17.497 -31.124 671 HB2 HIS 91 HB2 HIS 91 92.077 -14.730 -31.056 672 HB3 HIS 91 HB1 HIS 91 91.044 -15.365 -32.327 673 HD1 HIS 91 HD1 HIS 91 90.860 -13.216 -29.547 674 HD2 HIS 91 HD2 HIS 91 88.392 -16.166 -31.089 675 HE1 HIS 91 HE1 HIS 91 88.578 -12.759 -28.624 676 H HIS 92 HN HIS 92 93.935 -17.029 -30.051 677 HA HIS 92 HA HIS 92 95.043 -18.325 -32.332 678 HB2 HIS 92 HB2 HIS 92 97.015 -16.615 -32.249 679 HB3 HIS 92 HB1 HIS 92 95.557 -16.160 -33.103 680 HD1 HIS 92 HD1 HIS 92 95.257 -13.705 -32.754 681 HD2 HIS 92 HD2 HIS 92 96.483 -15.619 -29.277 682 HE1 HIS 92 HE1 HIS 92 95.258 -11.948 -30.956 683 H HIS 93 HN HIS 93 96.653 -19.627 -31.765 684 HA HIS 93 HA HIS 93 97.379 -19.622 -28.911 685 HB2 HIS 93 HB2 HIS 93 96.015 -21.590 -29.738 686 HB3 HIS 93 HB1 HIS 93 97.373 -22.021 -30.768 687 HD1 HIS 93 HD1 HIS 93 96.346 -21.923 -27.116 688 HD2 HIS 93 HD2 HIS 93 99.453 -23.344 -29.498 689 HE1 HIS 93 HE1 HIS 93 97.707 -23.425 -25.662 690 H HIS 94 HN HIS 94 98.435 -19.666 -32.159 691 HA HIS 94 HA HIS 94 100.304 -19.082 -33.185 692 HB2 HIS 94 HB2 HIS 94 101.392 -18.429 -30.441 693 HB3 HIS 94 HB1 HIS 94 102.244 -18.103 -31.947 694 HD1 HIS 94 HD1 HIS 94 101.547 -15.967 -33.232 695 HD2 HIS 94 HD2 HIS 94 99.111 -16.839 -29.986 696 HE1 HIS 94 HE1 HIS 94 100.115 -13.944 -32.872 697 H HIS 95 HN HIS 95 101.030 -20.705 -34.224 698 HA HIS 95 HA HIS 95 102.336 -22.357 -34.916 699 HB2 HIS 95 HB2 HIS 95 104.069 -21.506 -32.586 700 HB3 HIS 95 HB1 HIS 95 104.544 -22.780 -33.700 701 HD1 HIS 95 HD1 HIS 95 106.342 -21.751 -35.142 702 HD2 HIS 95 HD2 HIS 95 103.134 -19.172 -34.542 703 HE1 HIS 95 HE1 HIS 95 106.797 -19.718 -36.539 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 81.152 15.195 -0.952 2 H2 MET 1 HT2 MET 1 80.876 16.842 -1.148 3 H3 MET 1 HT3 MET 1 80.378 15.736 -2.327 4 HA MET 1 HA MET 1 78.804 14.732 -0.931 5 HB2 MET 1 HB2 MET 1 78.371 15.497 1.344 6 HB3 MET 1 HB1 MET 1 80.003 14.879 1.173 7 HG2 MET 1 HG2 MET 1 80.839 17.187 1.069 8 HG3 MET 1 HG1 MET 1 79.190 17.780 1.274 9 HE1 MET 1 HE1 MET 1 81.650 18.621 3.143 10 HE2 MET 1 HE2 MET 1 80.892 18.553 4.735 11 HE3 MET 1 HE3 MET 1 80.016 19.240 3.371 12 H HIS 2 HN HIS 2 79.365 17.646 -2.341 13 HA HIS 2 HA HIS 2 76.543 18.300 -1.975 14 HB2 HIS 2 HB2 HIS 2 78.847 20.237 -2.184 15 HB3 HIS 2 HB1 HIS 2 77.176 20.719 -2.417 16 HD1 HIS 2 HD1 HIS 2 79.639 20.807 0.146 17 HD2 HIS 2 HD2 HIS 2 75.607 19.805 0.026 18 HE1 HIS 2 HE1 HIS 2 78.796 21.034 2.497 19 H THR 3 HN THR 3 79.167 19.368 -4.141 20 HA THR 3 HA THR 3 77.484 19.618 -6.380 21 HB THR 3 HB THR 3 80.479 19.240 -6.391 22 HG1 THR 3 HG1 THR 3 80.600 21.437 -5.861 23 HG21 THR 3 HG21 THR 3 79.340 19.448 -8.588 24 HG22 THR 3 HG22 THR 3 80.362 20.841 -8.256 25 HG23 THR 3 HG23 THR 3 78.617 20.964 -8.054 26 H ASN 4 HN ASN 4 79.494 17.049 -5.094 27 HA ASN 4 HA ASN 4 78.355 15.139 -6.938 28 HB2 ASN 4 HB2 ASN 4 80.405 15.920 -8.077 29 HB3 ASN 4 HB1 ASN 4 81.344 15.606 -6.629 30 HD21 ASN 4 HD21 ASN 4 79.733 14.199 -9.363 31 HD22 ASN 4 HD22 ASN 4 80.409 12.635 -9.192 32 H TRP 5 HN TRP 5 78.337 13.097 -6.036 33 HA TRP 5 HA TRP 5 79.852 12.045 -4.064 34 HB2 TRP 5 HB2 TRP 5 78.294 11.989 -2.083 35 HB3 TRP 5 HB1 TRP 5 78.986 13.567 -2.409 36 HD1 TRP 5 HD1 TRP 5 76.525 13.972 -4.779 37 HE1 TRP 5 HE1 TRP 5 74.300 14.835 -3.895 38 HE3 TRP 5 HE3 TRP 5 77.112 12.808 0.195 39 HZ2 TRP 5 HZ2 TRP 5 72.964 15.033 -1.430 40 HZ3 TRP 5 HZ3 TRP 5 75.311 13.401 1.729 41 HH2 TRP 5 HH2 TRP 5 73.280 14.490 0.941 42 H GLN 6 HN GLN 6 78.625 10.094 -3.056 43 HA GLN 6 HA GLN 6 77.583 8.794 -5.412 44 HB2 GLN 6 HB2 GLN 6 78.232 7.756 -2.670 45 HB3 GLN 6 HB1 GLN 6 77.817 6.772 -4.068 46 HG2 GLN 6 HG2 GLN 6 79.835 7.392 -5.198 47 HG3 GLN 6 HG1 GLN 6 80.196 8.608 -3.974 48 HE21 GLN 6 HE21 GLN 6 79.424 6.925 -1.768 49 HE22 GLN 6 HE22 GLN 6 80.676 5.775 -1.571 50 H VAL 7 HN VAL 7 75.522 8.733 -5.748 51 HA VAL 7 HA VAL 7 73.705 8.475 -3.512 52 HB VAL 7 HB VAL 7 72.001 9.815 -4.943 53 HG11 VAL 7 HG11 VAL 7 74.378 11.269 -3.778 54 HG12 VAL 7 HG12 VAL 7 72.949 10.727 -2.896 55 HG13 VAL 7 HG13 VAL 7 72.806 11.988 -4.118 56 HG21 VAL 7 HG21 VAL 7 72.954 11.484 -6.481 57 HG22 VAL 7 HG22 VAL 7 73.271 9.839 -7.036 58 HG23 VAL 7 HG23 VAL 7 74.553 10.768 -6.257 59 H CYS 8 HN CYS 8 73.136 6.486 -3.664 60 HA CYS 8 HA CYS 8 72.647 5.390 -6.335 61 HB2 CYS 8 HB2 CYS 8 73.477 3.953 -3.815 62 HB3 CYS 8 HB1 CYS 8 73.120 3.178 -5.350 63 HG CYS 8 HG CYS 8 75.464 3.363 -6.318 64 H SER 9 HN SER 9 70.699 4.679 -6.807 65 HA SER 9 HA SER 9 68.638 4.720 -4.820 66 HB2 SER 9 HB2 SER 9 68.144 5.550 -7.055 67 HB3 SER 9 HB1 SER 9 68.602 4.005 -7.787 68 HG SER 9 HG SER 9 66.285 4.629 -7.306 69 H LEU 10 HN LEU 10 67.663 2.969 -4.021 70 HA LEU 10 HA LEU 10 68.763 0.309 -4.619 71 HB2 LEU 10 HB2 LEU 10 67.825 1.495 -2.038 72 HB3 LEU 10 HB1 LEU 10 68.205 -0.190 -2.216 73 HG LEU 10 HG LEU 10 70.093 2.148 -2.384 74 HD11 LEU 10 HD11 LEU 10 69.402 1.557 -0.124 75 HD12 LEU 10 HD12 LEU 10 71.086 1.101 -0.384 76 HD13 LEU 10 HD13 LEU 10 69.820 -0.130 -0.417 77 HD21 LEU 10 HD21 LEU 10 70.647 -0.790 -2.765 78 HD22 LEU 10 HD22 LEU 10 71.877 0.452 -2.547 79 HD23 LEU 10 HD23 LEU 10 70.825 0.498 -3.964 80 H VAL 11 HN VAL 11 67.250 -1.112 -5.182 81 HA VAL 11 HA VAL 11 64.458 -0.389 -4.709 82 HB VAL 11 HB VAL 11 65.553 -2.711 -6.362 83 HG11 VAL 11 HG11 VAL 11 63.267 -2.957 -7.180 84 HG12 VAL 11 HG12 VAL 11 62.741 -1.634 -6.140 85 HG13 VAL 11 HG13 VAL 11 63.325 -3.138 -5.427 86 HG21 VAL 11 HG21 VAL 11 64.358 -0.102 -7.292 87 HG22 VAL 11 HG22 VAL 11 64.861 -1.437 -8.331 88 HG23 VAL 11 HG23 VAL 11 66.061 -0.548 -7.391 89 H VAL 12 HN VAL 12 64.025 -0.880 -2.723 90 HA VAL 12 HA VAL 12 65.117 -3.273 -1.542 91 HB VAL 12 HB VAL 12 63.365 -1.116 -0.324 92 HG11 VAL 12 HG11 VAL 12 64.019 -2.078 1.830 93 HG12 VAL 12 HG12 VAL 12 64.924 -3.334 1.001 94 HG13 VAL 12 HG13 VAL 12 63.170 -3.265 0.837 95 HG21 VAL 12 HG21 VAL 12 65.415 -0.325 0.763 96 HG22 VAL 12 HG22 VAL 12 65.550 -0.253 -0.994 97 HG23 VAL 12 HG23 VAL 12 66.342 -1.552 -0.097 98 H GLN 13 HN GLN 13 64.132 -4.993 -2.082 99 HA GLN 13 HA GLN 13 61.269 -5.105 -2.554 100 HB2 GLN 13 HB2 GLN 13 63.263 -6.258 -3.879 101 HB3 GLN 13 HB1 GLN 13 63.239 -7.387 -2.551 102 HG2 GLN 13 HG2 GLN 13 60.869 -6.830 -4.305 103 HG3 GLN 13 HG1 GLN 13 62.027 -8.127 -4.581 104 HE21 GLN 13 HE21 GLN 13 62.069 -9.852 -3.173 105 HE22 GLN 13 HE22 GLN 13 60.722 -10.199 -2.152 106 H ALA 14 HN ALA 14 60.015 -5.527 -0.814 107 HA ALA 14 HA ALA 14 61.191 -6.828 1.510 108 HB1 ALA 14 HB1 ALA 14 59.892 -4.112 1.584 109 HB2 ALA 14 HB2 ALA 14 61.621 -4.446 1.757 110 HB3 ALA 14 HB3 ALA 14 60.480 -5.049 2.959 111 H LYS 15 HN LYS 15 59.436 -6.993 3.286 112 HA LYS 15 HA LYS 15 57.221 -8.443 2.322 113 HB2 LYS 15 HB2 LYS 15 57.726 -7.142 5.001 114 HB3 LYS 15 HB1 LYS 15 56.218 -7.960 4.703 115 HG2 LYS 15 HG2 LYS 15 57.543 -9.481 5.908 116 HG3 LYS 15 HG1 LYS 15 57.642 -10.043 4.250 117 HD2 LYS 15 HD2 LYS 15 59.853 -9.107 4.018 118 HD3 LYS 15 HD1 LYS 15 59.728 -8.322 5.593 119 HE2 LYS 15 HE2 LYS 15 59.544 -10.530 6.651 120 HE3 LYS 15 HE1 LYS 15 59.758 -11.305 5.083 121 HZ1 LYS 15 HZ1 LYS 15 61.785 -9.645 6.550 122 HZ2 LYS 15 HZ2 LYS 15 62.015 -10.276 4.994 123 HZ3 LYS 15 HZ3 LYS 15 61.810 -11.299 6.279 124 H SER 16 HN SER 16 55.591 -7.649 1.161 125 HA SER 16 HA SER 16 55.106 -4.984 0.681 126 HB2 SER 16 HB2 SER 16 53.218 -7.296 0.278 127 HB3 SER 16 HB1 SER 16 53.252 -5.776 -0.625 128 HG SER 16 HG SER 16 54.429 -7.030 -1.887 129 H GLU 17 HN GLU 17 53.643 -7.135 2.997 130 HA GLU 17 HA GLU 17 51.457 -5.446 3.723 131 HB2 GLU 17 HB2 GLU 17 51.210 -7.038 5.613 132 HB3 GLU 17 HB1 GLU 17 51.292 -7.821 4.042 133 HG2 GLU 17 HG2 GLU 17 53.624 -8.413 4.423 134 HG3 GLU 17 HG1 GLU 17 53.598 -7.561 5.964 135 H ARG 18 HN ARG 18 54.768 -5.202 4.402 136 HA ARG 18 HA ARG 18 54.264 -3.862 6.992 137 HB2 ARG 18 HB2 ARG 18 55.380 -6.147 6.972 138 HB3 ARG 18 HB1 ARG 18 56.729 -5.377 6.163 139 HG2 ARG 18 HG2 ARG 18 57.114 -3.980 8.074 140 HG3 ARG 18 HG1 ARG 18 55.676 -4.636 8.864 141 HD2 ARG 18 HD2 ARG 18 56.711 -6.907 8.642 142 HD3 ARG 18 HD1 ARG 18 58.196 -6.115 8.155 143 HE ARG 18 HE ARG 18 57.988 -4.920 10.382 144 HH11 ARG 18 HH11 ARG 18 56.849 -8.231 9.815 145 HH12 ARG 18 HH12 ARG 18 56.970 -8.710 11.430 146 HH21 ARG 18 HH21 ARG 18 58.187 -5.608 12.656 147 HH22 ARG 18 HH22 ARG 18 57.751 -7.190 13.079 148 H ILE 19 HN ILE 19 54.714 -3.135 3.983 149 HA ILE 19 HA ILE 19 57.137 -1.851 3.623 150 HB ILE 19 HB ILE 19 54.462 -1.367 2.337 151 HG12 ILE 19 HG12 ILE 19 55.534 -3.492 1.912 152 HG13 ILE 19 HG11 ILE 19 55.473 -2.534 0.438 153 HG21 ILE 19 HG21 ILE 19 55.664 0.742 2.176 154 HG22 ILE 19 HG22 ILE 19 55.558 -0.040 0.599 155 HG23 ILE 19 HG23 ILE 19 57.062 -0.115 1.525 156 HD11 ILE 19 HD11 ILE 19 57.583 -3.676 0.594 157 HD12 ILE 19 HD12 ILE 19 57.877 -3.016 2.195 158 HD13 ILE 19 HD13 ILE 19 57.851 -1.945 0.791 159 H SER 20 HN SER 20 54.234 -0.425 5.113 160 HA SER 20 HA SER 20 55.138 2.229 5.009 161 HB2 SER 20 HB2 SER 20 53.287 1.037 7.086 162 HB3 SER 20 HB1 SER 20 53.348 2.701 6.515 163 HG SER 20 HG SER 20 51.792 0.922 5.628 164 H ASP 21 HN ASP 21 55.540 -0.337 7.407 165 HA ASP 21 HA ASP 21 56.837 1.337 9.343 166 HB2 ASP 21 HB2 ASP 21 56.757 -1.676 9.066 167 HB3 ASP 21 HB1 ASP 21 57.575 -0.841 10.383 168 H ILE 22 HN ILE 22 57.861 -0.851 6.863 169 HA ILE 22 HA ILE 22 60.634 -0.861 7.419 170 HB ILE 22 HB ILE 22 59.255 -1.312 4.755 171 HG12 ILE 22 HG12 ILE 22 60.124 -3.318 6.823 172 HG13 ILE 22 HG11 ILE 22 58.476 -2.713 6.673 173 HG21 ILE 22 HG21 ILE 22 61.267 -2.616 4.201 174 HG22 ILE 22 HG22 ILE 22 61.979 -2.185 5.755 175 HG23 ILE 22 HG23 ILE 22 61.681 -0.936 4.543 176 HD11 ILE 22 HD11 ILE 22 58.350 -3.609 4.421 177 HD12 ILE 22 HD12 ILE 22 58.746 -4.868 5.596 178 HD13 ILE 22 HD13 ILE 22 60.013 -4.176 4.577 179 H SER 23 HN SER 23 58.676 1.173 5.299 180 HA SER 23 HA SER 23 60.730 2.592 4.092 181 HB2 SER 23 HB2 SER 23 58.383 2.621 3.338 182 HB3 SER 23 HB1 SER 23 57.925 3.506 4.787 183 HG SER 23 HG SER 23 58.298 5.169 3.643 184 H THR 24 HN THR 24 59.199 3.041 7.242 185 HA THR 24 HA THR 24 60.310 5.656 7.648 186 HB THR 24 HB THR 24 59.023 3.723 9.597 187 HG1 THR 24 HG1 THR 24 58.067 5.424 7.658 188 HG21 THR 24 HG21 THR 24 58.619 5.737 10.947 189 HG22 THR 24 HG22 THR 24 59.532 6.691 9.778 190 HG23 THR 24 HG23 THR 24 60.343 5.446 10.724 191 H GLN 25 HN GLN 25 60.992 2.377 8.480 192 HA GLN 25 HA GLN 25 63.112 2.757 10.234 193 HB2 GLN 25 HB2 GLN 25 61.907 0.661 8.627 194 HB3 GLN 25 HB1 GLN 25 63.499 0.292 9.181 195 HG2 GLN 25 HG2 GLN 25 62.663 0.771 11.519 196 HG3 GLN 25 HG1 GLN 25 61.061 1.005 10.823 197 HE21 GLN 25 HE21 GLN 25 61.448 -1.122 8.889 198 HE22 GLN 25 HE22 GLN 25 61.292 -2.602 9.778 199 H LEU 26 HN LEU 26 63.014 2.208 6.667 200 HA LEU 26 HA LEU 26 65.779 2.163 6.307 201 HB2 LEU 26 HB2 LEU 26 63.543 2.814 4.399 202 HB3 LEU 26 HB1 LEU 26 65.191 2.461 3.974 203 HG LEU 26 HG LEU 26 63.255 0.545 5.248 204 HD11 LEU 26 HD11 LEU 26 64.436 0.592 2.482 205 HD12 LEU 26 HD12 LEU 26 62.790 1.043 2.915 206 HD13 LEU 26 HD13 LEU 26 63.330 -0.622 3.132 207 HD21 LEU 26 HD21 LEU 26 65.032 -1.146 4.832 208 HD22 LEU 26 HD22 LEU 26 65.477 0.060 6.033 209 HD23 LEU 26 HD23 LEU 26 66.116 0.179 4.392 210 H ASN 27 HN ASN 27 63.342 4.689 6.278 211 HA ASN 27 HA ASN 27 64.890 6.791 5.224 212 HB2 ASN 27 HB2 ASN 27 62.343 6.503 5.506 213 HB3 ASN 27 HB1 ASN 27 62.597 7.002 7.167 214 HD21 ASN 27 HD21 ASN 27 61.045 8.161 5.039 215 HD22 ASN 27 HD22 ASN 27 61.611 9.774 4.864 216 H ALA 28 HN ALA 28 64.978 5.159 8.212 217 HA ALA 28 HA ALA 28 66.028 7.436 9.675 218 HB1 ALA 28 HB1 ALA 28 65.470 4.638 10.646 219 HB2 ALA 28 HB2 ALA 28 64.370 6.009 10.770 220 HB3 ALA 28 HB3 ALA 28 65.897 6.029 11.648 221 H PHE 29 HN PHE 29 67.426 5.368 7.503 222 HA PHE 29 HA PHE 29 69.791 4.861 9.013 223 HB2 PHE 29 HB2 PHE 29 68.802 4.297 6.259 224 HB3 PHE 29 HB1 PHE 29 70.502 4.150 6.594 225 HD1 PHE 29 HD2 PHE 29 67.175 2.994 7.496 226 HD2 PHE 29 HD1 PHE 29 71.310 2.116 7.625 227 HE1 PHE 29 HE2 PHE 29 66.666 0.710 8.307 228 HE2 PHE 29 HE1 PHE 29 70.828 -0.131 8.433 229 HZ PHE 29 HZ PHE 29 68.511 -0.844 8.777 230 HA PRO 30 HA PRO 30 71.725 8.697 8.137 231 HB2 PRO 30 HB2 PRO 30 74.233 7.325 7.413 232 HB3 PRO 30 HB1 PRO 30 73.915 8.452 8.730 233 HG2 PRO 30 HG2 PRO 30 74.286 5.837 9.161 234 HG3 PRO 30 HG1 PRO 30 73.171 6.795 10.138 235 HD2 PRO 30 HD2 PRO 30 72.562 4.871 7.916 236 HD3 PRO 30 HD1 PRO 30 71.694 5.156 9.434 237 H GLY 31 HN GLY 31 70.735 9.406 6.304 238 HA2 GLY 31 HA2 GLY 31 71.048 10.467 4.266 239 HA3 GLY 31 HA1 GLY 31 72.474 9.477 3.995 240 H CYS 32 HN CYS 32 69.719 7.709 4.981 241 HA CYS 32 HA CYS 32 69.318 6.888 2.224 242 HB2 CYS 32 HB2 CYS 32 68.637 5.539 4.804 243 HB3 CYS 32 HB1 CYS 32 68.543 4.834 3.198 244 HG CYS 32 HG CYS 32 71.524 5.985 4.310 245 H GLU 33 HN GLU 33 67.602 7.911 1.419 246 HA GLU 33 HA GLU 33 65.280 8.262 3.186 247 HB2 GLU 33 HB2 GLU 33 66.477 10.397 2.506 248 HB3 GLU 33 HB1 GLU 33 65.990 10.045 0.859 249 HG2 GLU 33 HG2 GLU 33 63.646 10.127 1.504 250 HG3 GLU 33 HG1 GLU 33 64.107 10.461 3.167 251 H VAL 34 HN VAL 34 63.352 7.629 2.371 252 HA VAL 34 HA VAL 34 63.397 5.942 0.038 253 HB VAL 34 HB VAL 34 61.025 6.766 1.754 254 HG11 VAL 34 HG11 VAL 34 61.383 4.411 -0.097 255 HG12 VAL 34 HG12 VAL 34 60.427 5.853 -0.431 256 HG13 VAL 34 HG13 VAL 34 59.951 4.769 0.875 257 HG21 VAL 34 HG21 VAL 34 62.794 4.336 2.023 258 HG22 VAL 34 HG22 VAL 34 61.324 4.642 2.939 259 HG23 VAL 34 HG23 VAL 34 62.724 5.695 3.141 260 H ALA 35 HN ALA 35 62.986 6.673 -1.912 261 HA ALA 35 HA ALA 35 62.042 9.422 -2.229 262 HB1 ALA 35 HB1 ALA 35 62.847 9.252 -4.527 263 HB2 ALA 35 HB2 ALA 35 63.237 7.548 -4.271 264 HB3 ALA 35 HB3 ALA 35 64.106 8.800 -3.378 265 H VAL 36 HN VAL 36 61.267 6.146 -3.290 266 HA VAL 36 HA VAL 36 58.561 7.063 -3.945 267 HB VAL 36 HB VAL 36 60.159 5.091 -5.635 268 HG11 VAL 36 HG11 VAL 36 57.801 4.523 -5.553 269 HG12 VAL 36 HG12 VAL 36 58.239 5.113 -7.154 270 HG13 VAL 36 HG13 VAL 36 57.372 6.168 -6.033 271 HG21 VAL 36 HG21 VAL 36 59.262 7.894 -6.320 272 HG22 VAL 36 HG22 VAL 36 60.014 6.763 -7.443 273 HG23 VAL 36 HG23 VAL 36 60.926 7.368 -6.061 274 H SER 37 HN SER 37 57.053 5.770 -2.999 275 HA SER 37 HA SER 37 58.024 3.230 -1.905 276 HB2 SER 37 HB2 SER 37 55.678 4.835 -0.887 277 HB3 SER 37 HB1 SER 37 56.516 3.476 -0.122 278 HG SER 37 HG SER 37 57.889 5.863 -0.717 279 H ASP 38 HN ASP 38 56.986 1.424 -2.738 280 HA ASP 38 HA ASP 38 54.265 1.859 -3.680 281 HB2 ASP 38 HB2 ASP 38 55.850 1.743 -5.638 282 HB3 ASP 38 HB1 ASP 38 56.244 0.095 -5.118 283 H ALA 39 HN ALA 39 53.507 1.043 -1.842 284 HA ALA 39 HA ALA 39 54.294 -1.305 -0.589 285 HB1 ALA 39 HB1 ALA 39 52.221 -1.201 0.656 286 HB2 ALA 39 HB2 ALA 39 51.545 -0.063 -0.513 287 HB3 ALA 39 HB3 ALA 39 52.908 0.414 0.492 288 HA PRO 40 HA PRO 40 50.639 -3.498 -3.293 289 HB2 PRO 40 HB2 PRO 40 51.083 -2.675 -5.926 290 HB3 PRO 40 HB1 PRO 40 49.743 -2.148 -4.902 291 HG2 PRO 40 HG2 PRO 40 52.435 -0.921 -5.264 292 HG3 PRO 40 HG1 PRO 40 50.937 -0.044 -5.425 293 HD2 PRO 40 HD2 PRO 40 52.173 0.215 -3.231 294 HD3 PRO 40 HD1 PRO 40 50.504 -0.382 -3.038 295 H SER 41 HN SER 41 53.762 -2.489 -4.818 296 HA SER 41 HA SER 41 54.130 -5.254 -5.650 297 HB2 SER 41 HB2 SER 41 55.943 -2.916 -6.224 298 HB3 SER 41 HB1 SER 41 55.850 -4.446 -7.089 299 HG SER 41 HG SER 41 54.033 -2.332 -6.982 300 H GLY 42 HN GLY 42 54.848 -3.489 -2.938 301 HA2 GLY 42 HA2 GLY 42 56.136 -4.032 -1.107 302 HA3 GLY 42 HA1 GLY 42 56.626 -5.495 -1.950 303 H GLN 43 HN GLN 43 57.049 -2.308 -3.318 304 HA GLN 43 HA GLN 43 59.947 -2.737 -3.116 305 HB2 GLN 43 HB2 GLN 43 58.433 -1.449 -5.379 306 HB3 GLN 43 HB1 GLN 43 60.177 -1.669 -5.287 307 HG2 GLN 43 HG2 GLN 43 59.924 -4.051 -5.330 308 HG3 GLN 43 HG1 GLN 43 58.174 -3.885 -5.264 309 HE21 GLN 43 HE21 GLN 43 58.299 -1.591 -7.222 310 HE22 GLN 43 HE22 GLN 43 58.600 -2.337 -8.735 311 H LEU 44 HN LEU 44 61.016 -1.253 -2.235 312 HA LEU 44 HA LEU 44 59.929 1.474 -2.018 313 HB2 LEU 44 HB2 LEU 44 61.601 -0.099 -0.060 314 HB3 LEU 44 HB1 LEU 44 61.390 1.638 0.038 315 HG LEU 44 HG LEU 44 59.074 -0.288 0.135 316 HD11 LEU 44 HD11 LEU 44 60.613 -0.727 2.002 317 HD12 LEU 44 HD12 LEU 44 59.122 0.033 2.556 318 HD13 LEU 44 HD13 LEU 44 60.596 0.989 2.407 319 HD21 LEU 44 HD21 LEU 44 59.413 2.607 0.883 320 HD22 LEU 44 HD22 LEU 44 57.958 1.655 1.148 321 HD23 LEU 44 HD23 LEU 44 58.515 1.969 -0.493 322 H ILE 45 HN ILE 45 61.084 2.961 -3.006 323 HA ILE 45 HA ILE 45 63.755 2.275 -3.953 324 HB ILE 45 HB ILE 45 61.940 4.626 -4.559 325 HG12 ILE 45 HG12 ILE 45 61.183 2.524 -5.584 326 HG13 ILE 45 HG11 ILE 45 61.743 3.662 -6.807 327 HG21 ILE 45 HG21 ILE 45 64.227 5.376 -4.687 328 HG22 ILE 45 HG22 ILE 45 63.553 5.245 -6.316 329 HG23 ILE 45 HG23 ILE 45 64.651 4.004 -5.714 330 HD11 ILE 45 HD11 ILE 45 62.470 1.423 -7.329 331 HD12 ILE 45 HD12 ILE 45 63.226 1.268 -5.747 332 HD13 ILE 45 HD13 ILE 45 63.870 2.421 -6.920 333 H VAL 46 HN VAL 46 65.400 2.861 -2.795 334 HA VAL 46 HA VAL 46 65.111 5.106 -0.910 335 HB VAL 46 HB VAL 46 66.747 2.571 -0.555 336 HG11 VAL 46 HG11 VAL 46 67.244 3.418 1.699 337 HG12 VAL 46 HG12 VAL 46 66.351 4.894 1.343 338 HG13 VAL 46 HG13 VAL 46 67.833 4.532 0.460 339 HG21 VAL 46 HG21 VAL 46 65.226 2.099 1.320 340 HG22 VAL 46 HG22 VAL 46 64.372 2.155 -0.225 341 HG23 VAL 46 HG23 VAL 46 64.273 3.514 0.890 342 H VAL 47 HN VAL 47 66.569 6.675 -1.165 343 HA VAL 47 HA VAL 47 68.812 6.111 -2.970 344 HB VAL 47 HB VAL 47 67.700 8.814 -2.144 345 HG11 VAL 47 HG11 VAL 47 69.125 9.695 -3.953 346 HG12 VAL 47 HG12 VAL 47 69.775 8.078 -4.211 347 HG13 VAL 47 HG13 VAL 47 70.070 8.914 -2.684 348 HG21 VAL 47 HG21 VAL 47 66.107 7.620 -3.554 349 HG22 VAL 47 HG22 VAL 47 67.368 7.307 -4.744 350 HG23 VAL 47 HG23 VAL 47 66.829 8.962 -4.442 351 H VAL 48 HN VAL 48 70.605 5.706 -2.006 352 HA VAL 48 HA VAL 48 71.060 6.756 0.687 353 HB VAL 48 HB VAL 48 72.538 4.561 -0.784 354 HG11 VAL 48 HG11 VAL 48 72.698 5.427 2.115 355 HG12 VAL 48 HG12 VAL 48 73.933 5.703 0.893 356 HG13 VAL 48 HG13 VAL 48 73.554 4.058 1.407 357 HG21 VAL 48 HG21 VAL 48 70.482 4.393 1.412 358 HG22 VAL 48 HG22 VAL 48 71.394 3.032 0.759 359 HG23 VAL 48 HG23 VAL 48 70.263 3.912 -0.270 360 H GLU 49 HN GLU 49 72.341 8.366 0.920 361 HA GLU 49 HA GLU 49 74.169 9.106 -1.243 362 HB2 GLU 49 HB2 GLU 49 73.974 11.392 -0.351 363 HB3 GLU 49 HB1 GLU 49 72.394 10.731 -0.738 364 HG2 GLU 49 HG2 GLU 49 72.326 10.065 1.770 365 HG3 GLU 49 HG1 GLU 49 73.643 11.233 1.901 366 H ALA 50 HN ALA 50 76.314 9.217 -0.820 367 HA ALA 50 HA ALA 50 77.344 9.491 1.844 368 HB1 ALA 50 HB1 ALA 50 78.600 7.399 1.888 369 HB2 ALA 50 HB2 ALA 50 77.883 6.921 0.350 370 HB3 ALA 50 HB3 ALA 50 76.867 7.069 1.785 371 H GLU 51 HN GLU 51 79.711 9.561 1.813 372 HA GLU 51 HA GLU 51 80.639 10.836 -0.633 373 HB2 GLU 51 HB2 GLU 51 80.881 11.969 1.572 374 HB3 GLU 51 HB1 GLU 51 81.900 10.639 2.109 375 HG2 GLU 51 HG2 GLU 51 83.316 12.473 1.510 376 HG3 GLU 51 HG1 GLU 51 83.495 11.218 0.291 377 H ASP 52 HN ASP 52 81.813 8.482 1.768 378 HA ASP 52 HA ASP 52 83.881 7.587 -0.044 379 HB2 ASP 52 HB2 ASP 52 83.177 6.722 2.763 380 HB3 ASP 52 HB1 ASP 52 84.506 6.047 1.835 381 H SER 53 HN SER 53 84.142 5.432 -0.807 382 HA SER 53 HA SER 53 81.726 4.395 -1.797 383 HB2 SER 53 HB2 SER 53 83.305 2.625 -2.756 384 HB3 SER 53 HB1 SER 53 83.595 4.298 -3.235 385 HG SER 53 HG SER 53 85.278 2.634 -2.037 386 H GLU 54 HN GLU 54 84.002 3.222 0.629 387 HA GLU 54 HA GLU 54 82.511 0.821 0.989 388 HB2 GLU 54 HB2 GLU 54 83.972 0.419 2.987 389 HB3 GLU 54 HB1 GLU 54 84.823 0.589 1.468 390 HG2 GLU 54 HG2 GLU 54 84.548 2.797 3.490 391 HG3 GLU 54 HG1 GLU 54 85.886 1.647 3.430 392 H THR 55 HN THR 55 82.627 3.928 2.574 393 HA THR 55 HA THR 55 80.983 3.319 4.746 394 HB THR 55 HB THR 55 81.097 5.918 3.201 395 HG1 THR 55 HG1 THR 55 82.732 5.347 5.429 396 HG21 THR 55 HG21 THR 55 80.655 6.941 5.382 397 HG22 THR 55 HG22 THR 55 80.610 5.351 6.141 398 HG23 THR 55 HG23 THR 55 79.365 5.814 4.968 399 H LEU 56 HN LEU 56 80.260 4.145 1.398 400 HA LEU 56 HA LEU 56 77.458 4.342 1.566 401 HB2 LEU 56 HB2 LEU 56 78.762 5.040 -0.407 402 HB3 LEU 56 HB1 LEU 56 79.223 3.379 -0.687 403 HG LEU 56 HG LEU 56 76.810 2.856 -1.092 404 HD11 LEU 56 HD11 LEU 56 75.304 4.688 -1.635 405 HD12 LEU 56 HD12 LEU 56 76.521 5.851 -1.104 406 HD13 LEU 56 HD13 LEU 56 75.801 4.734 0.056 407 HD21 LEU 56 HD21 LEU 56 78.123 4.878 -2.895 408 HD22 LEU 56 HD22 LEU 56 76.809 3.798 -3.356 409 HD23 LEU 56 HD23 LEU 56 78.383 3.134 -2.910 410 H ILE 57 HN ILE 57 79.604 1.642 0.745 411 HA ILE 57 HA ILE 57 77.681 -0.346 0.411 412 HB ILE 57 HB ILE 57 80.553 -0.655 1.346 413 HG12 ILE 57 HG12 ILE 57 79.351 -0.867 -1.429 414 HG13 ILE 57 HG11 ILE 57 80.253 0.514 -0.828 415 HG21 ILE 57 HG21 ILE 57 80.372 -2.971 0.483 416 HG22 ILE 57 HG22 ILE 57 78.655 -2.711 0.171 417 HG23 ILE 57 HG23 ILE 57 79.263 -2.684 1.827 418 HD11 ILE 57 HD11 ILE 57 81.616 -0.894 -2.252 419 HD12 ILE 57 HD12 ILE 57 81.316 -2.275 -1.197 420 HD13 ILE 57 HD13 ILE 57 82.236 -0.890 -0.600 421 H GLN 58 HN GLN 58 79.551 0.489 3.321 422 HA GLN 58 HA GLN 58 78.601 -1.379 5.131 423 HB2 GLN 58 HB2 GLN 58 79.284 1.523 5.595 424 HB3 GLN 58 HB1 GLN 58 79.006 0.369 6.891 425 HG2 GLN 58 HG2 GLN 58 80.888 -0.932 6.186 426 HG3 GLN 58 HG1 GLN 58 81.139 0.116 4.792 427 HE21 GLN 58 HE21 GLN 58 82.913 -0.536 7.000 428 HE22 GLN 58 HE22 GLN 58 83.358 0.961 7.734 429 H THR 59 HN THR 59 77.211 1.765 4.350 430 HA THR 59 HA THR 59 75.057 1.604 6.133 431 HB THR 59 HB THR 59 75.174 3.195 3.554 432 HG1 THR 59 HG1 THR 59 76.984 3.844 4.609 433 HG21 THR 59 HG21 THR 59 73.798 3.713 6.200 434 HG22 THR 59 HG22 THR 59 72.997 3.174 4.729 435 HG23 THR 59 HG23 THR 59 73.749 4.769 4.790 436 H ILE 60 HN ILE 60 75.380 0.767 2.687 437 HA ILE 60 HA ILE 60 72.689 0.025 2.259 438 HB ILE 60 HB ILE 60 75.196 -0.903 0.805 439 HG12 ILE 60 HG12 ILE 60 73.173 1.246 0.093 440 HG13 ILE 60 HG11 ILE 60 74.788 1.526 0.731 441 HG21 ILE 60 HG21 ILE 60 72.305 -1.171 -0.054 442 HG22 ILE 60 HG22 ILE 60 73.374 -2.490 0.419 443 HG23 ILE 60 HG23 ILE 60 73.714 -1.568 -1.039 444 HD11 ILE 60 HD11 ILE 60 74.158 0.228 -1.911 445 HD12 ILE 60 HD12 ILE 60 75.767 0.574 -1.278 446 HD13 ILE 60 HD13 ILE 60 74.672 1.897 -1.675 447 H GLU 61 HN GLU 61 75.499 -1.806 3.349 448 HA GLU 61 HA GLU 61 74.300 -4.343 3.443 449 HB2 GLU 61 HB2 GLU 61 76.502 -3.186 5.143 450 HB3 GLU 61 HB1 GLU 61 76.025 -4.879 5.176 451 HG2 GLU 61 HG2 GLU 61 77.160 -3.370 2.835 452 HG3 GLU 61 HG1 GLU 61 77.982 -4.596 3.807 453 H SER 62 HN SER 62 74.369 -1.715 5.758 454 HA SER 62 HA SER 62 73.120 -3.104 7.864 455 HB2 SER 62 HB2 SER 62 74.343 -0.793 7.926 456 HB3 SER 62 HB1 SER 62 72.824 -0.192 7.290 457 HG SER 62 HG SER 62 72.300 -1.713 9.418 458 H VAL 63 HN VAL 63 71.904 -1.237 5.120 459 HA VAL 63 HA VAL 63 69.195 -1.128 5.701 460 HB VAL 63 HB VAL 63 70.544 -1.449 2.996 461 HG11 VAL 63 HG11 VAL 63 68.493 -0.477 2.017 462 HG12 VAL 63 HG12 VAL 63 67.739 -0.510 3.607 463 HG13 VAL 63 HG13 VAL 63 68.170 -2.021 2.807 464 HG21 VAL 63 HG21 VAL 63 69.599 1.020 4.458 465 HG22 VAL 63 HG22 VAL 63 70.246 0.996 2.822 466 HG23 VAL 63 HG23 VAL 63 71.274 0.541 4.182 467 H ARG 64 HN ARG 64 71.132 -3.618 4.180 468 HA ARG 64 HA ARG 64 69.094 -5.414 3.346 469 HB2 ARG 64 HB2 ARG 64 71.907 -6.118 4.146 470 HB3 ARG 64 HB1 ARG 64 70.840 -7.058 3.126 471 HG2 ARG 64 HG2 ARG 64 70.946 -5.280 1.434 472 HG3 ARG 64 HG1 ARG 64 72.075 -4.393 2.468 473 HD2 ARG 64 HD2 ARG 64 73.523 -6.348 2.490 474 HD3 ARG 64 HD1 ARG 64 72.465 -7.141 1.316 475 HE ARG 64 HE ARG 64 74.449 -5.125 0.899 476 HH11 ARG 64 HH11 ARG 64 71.499 -6.522 -0.477 477 HH12 ARG 64 HH12 ARG 64 71.898 -6.223 -2.088 478 HH21 ARG 64 HH21 ARG 64 75.039 -4.716 -1.279 479 HH22 ARG 64 HH22 ARG 64 74.034 -5.171 -2.587 480 H ASN 65 HN ASN 65 70.471 -4.750 6.406 481 HA ASN 65 HA ASN 65 69.902 -7.349 7.507 482 HB2 ASN 65 HB2 ASN 65 71.278 -4.915 8.542 483 HB3 ASN 65 HB1 ASN 65 70.659 -6.105 9.689 484 HD21 ASN 65 HD21 ASN 65 72.993 -5.491 7.153 485 HD22 ASN 65 HD22 ASN 65 73.970 -6.862 7.499 486 H VAL 66 HN VAL 66 67.894 -4.892 6.815 487 HA VAL 66 HA VAL 66 66.531 -4.860 9.330 488 HB VAL 66 HB VAL 66 65.494 -3.834 6.678 489 HG11 VAL 66 HG11 VAL 66 63.733 -4.437 8.387 490 HG12 VAL 66 HG12 VAL 66 63.729 -2.725 7.960 491 HG13 VAL 66 HG13 VAL 66 64.451 -3.273 9.479 492 HG21 VAL 66 HG21 VAL 66 67.483 -2.640 7.441 493 HG22 VAL 66 HG22 VAL 66 66.733 -2.388 9.020 494 HG23 VAL 66 HG23 VAL 66 66.052 -1.618 7.584 495 H GLU 67 HN GLU 67 64.972 -5.880 9.987 496 HA GLU 67 HA GLU 67 64.079 -8.342 9.552 497 HB2 GLU 67 HB2 GLU 67 63.655 -7.132 11.480 498 HB3 GLU 67 HB1 GLU 67 62.848 -5.852 10.605 499 HG2 GLU 67 HG2 GLU 67 60.977 -7.281 10.212 500 HG3 GLU 67 HG1 GLU 67 61.903 -8.603 10.940 501 H GLY 68 HN GLY 68 62.328 -5.469 8.385 502 HA2 GLY 68 HA2 GLY 68 60.412 -7.070 7.050 503 HA3 GLY 68 HA1 GLY 68 60.526 -5.329 6.952 504 H VAL 69 HN VAL 69 63.528 -6.368 6.092 505 HA VAL 69 HA VAL 69 62.827 -5.933 3.302 506 HB VAL 69 HB VAL 69 65.601 -5.937 4.614 507 HG11 VAL 69 HG11 VAL 69 64.806 -5.257 1.814 508 HG12 VAL 69 HG12 VAL 69 65.777 -6.636 2.331 509 HG13 VAL 69 HG13 VAL 69 66.391 -4.993 2.539 510 HG21 VAL 69 HG21 VAL 69 63.956 -3.657 3.541 511 HG22 VAL 69 HG22 VAL 69 65.523 -3.545 4.347 512 HG23 VAL 69 HG23 VAL 69 64.091 -4.060 5.245 513 H LEU 70 HN LEU 70 63.346 -7.330 1.630 514 HA LEU 70 HA LEU 70 63.964 -10.071 2.436 515 HB2 LEU 70 HB2 LEU 70 62.573 -9.002 -0.030 516 HB3 LEU 70 HB1 LEU 70 62.955 -10.685 0.241 517 HG LEU 70 HG LEU 70 61.048 -9.071 1.947 518 HD11 LEU 70 HD11 LEU 70 60.509 -11.135 -0.174 519 HD12 LEU 70 HD12 LEU 70 60.213 -9.401 -0.320 520 HD13 LEU 70 HD13 LEU 70 59.306 -10.357 0.857 521 HD21 LEU 70 HD21 LEU 70 62.114 -10.889 3.138 522 HD22 LEU 70 HD22 LEU 70 61.665 -12.015 1.853 523 HD23 LEU 70 HD23 LEU 70 60.418 -11.250 2.838 524 H ALA 71 HN ALA 71 64.379 -7.773 -0.258 525 HA ALA 71 HA ALA 71 67.145 -8.651 -0.557 526 HB1 ALA 71 HB1 ALA 71 65.087 -8.551 -2.758 527 HB2 ALA 71 HB2 ALA 71 65.888 -9.995 -2.139 528 HB3 ALA 71 HB3 ALA 71 66.812 -8.761 -3.001 529 H VAL 72 HN VAL 72 68.415 -6.965 -0.905 530 HA VAL 72 HA VAL 72 67.187 -4.404 -1.673 531 HB VAL 72 HB VAL 72 69.874 -4.881 -0.346 532 HG11 VAL 72 HG11 VAL 72 69.878 -2.879 -1.729 533 HG12 VAL 72 HG12 VAL 72 69.943 -2.456 -0.018 534 HG13 VAL 72 HG13 VAL 72 68.430 -2.291 -0.907 535 HG21 VAL 72 HG21 VAL 72 68.879 -3.886 1.671 536 HG22 VAL 72 HG22 VAL 72 68.040 -5.360 1.193 537 HG23 VAL 72 HG23 VAL 72 67.325 -3.793 0.847 538 H SER 73 HN SER 73 67.349 -4.185 -3.815 539 HA SER 73 HA SER 73 69.669 -5.205 -5.221 540 HB2 SER 73 HB2 SER 73 67.205 -3.798 -6.188 541 HB3 SER 73 HB1 SER 73 68.434 -4.548 -7.216 542 HG SER 73 HG SER 73 67.803 -6.447 -5.678 543 H LEU 74 HN LEU 74 71.294 -3.931 -5.805 544 HA LEU 74 HA LEU 74 71.167 -1.112 -5.122 545 HB2 LEU 74 HB2 LEU 74 73.062 -2.986 -4.713 546 HB3 LEU 74 HB1 LEU 74 73.596 -2.383 -6.263 547 HG LEU 74 HG LEU 74 73.323 -0.813 -3.709 548 HD11 LEU 74 HD11 LEU 74 75.226 -2.260 -3.696 549 HD12 LEU 74 HD12 LEU 74 75.746 -0.584 -3.840 550 HD13 LEU 74 HD13 LEU 74 75.762 -1.635 -5.253 551 HD21 LEU 74 HD21 LEU 74 74.236 0.157 -6.419 552 HD22 LEU 74 HD22 LEU 74 74.329 1.074 -4.917 553 HD23 LEU 74 HD23 LEU 74 72.760 0.626 -5.582 554 H VAL 75 HN VAL 75 70.420 0.174 -6.700 555 HA VAL 75 HA VAL 75 70.295 -0.626 -9.461 556 HB VAL 75 HB VAL 75 69.668 1.999 -8.129 557 HG11 VAL 75 HG11 VAL 75 68.404 2.515 -10.195 558 HG12 VAL 75 HG12 VAL 75 68.976 1.008 -10.917 559 HG13 VAL 75 HG13 VAL 75 70.120 2.293 -10.536 560 HG21 VAL 75 HG21 VAL 75 68.271 0.192 -7.346 561 HG22 VAL 75 HG22 VAL 75 67.867 -0.248 -9.003 562 HG23 VAL 75 HG23 VAL 75 67.338 1.305 -8.344 563 H TYR 76 HN TYR 76 72.034 1.848 -7.839 564 HA TYR 76 HA TYR 76 73.548 2.086 -10.309 565 HB2 TYR 76 HB2 TYR 76 72.538 4.082 -9.593 566 HB3 TYR 76 HB1 TYR 76 73.321 4.030 -8.021 567 HD1 TYR 76 HD1 TYR 76 74.342 3.958 -11.643 568 HD2 TYR 76 HD2 TYR 76 75.221 5.375 -7.729 569 HE1 TYR 76 HE1 TYR 76 76.293 5.175 -12.521 570 HE2 TYR 76 HE2 TYR 76 77.164 6.596 -8.600 571 HH TYR 76 HH TYR 76 77.689 7.062 -11.929 572 H HIS 77 HN HIS 77 74.714 0.284 -10.053 573 HA HIS 77 HA HIS 77 76.993 0.597 -8.251 574 HB2 HIS 77 HB2 HIS 77 75.458 -1.167 -7.360 575 HB3 HIS 77 HB1 HIS 77 75.592 -2.020 -8.891 576 HD1 HIS 77 HD1 HIS 77 77.261 -3.883 -8.813 577 HD2 HIS 77 HD2 HIS 77 78.197 -0.837 -6.151 578 HE1 HIS 77 HE1 HIS 77 79.329 -4.635 -7.579 579 H GLN 78 HN GLN 78 78.551 1.103 -9.635 580 HA GLN 78 HA GLN 78 78.822 -0.502 -12.081 581 HB2 GLN 78 HB2 GLN 78 79.749 2.363 -11.719 582 HB3 GLN 78 HB1 GLN 78 79.744 1.434 -13.204 583 HG2 GLN 78 HG2 GLN 78 77.305 2.386 -11.720 584 HG3 GLN 78 HG1 GLN 78 77.998 3.163 -13.130 585 HE21 GLN 78 HE21 GLN 78 78.530 0.535 -14.455 586 HE22 GLN 78 HE22 GLN 78 76.980 0.021 -14.994 587 H GLN 79 HN GLN 79 80.512 -1.841 -11.603 588 HA GLN 79 HA GLN 79 82.598 -0.805 -9.865 589 HB2 GLN 79 HB2 GLN 79 81.808 -3.066 -9.388 590 HB3 GLN 79 HB1 GLN 79 82.230 -3.584 -11.014 591 HG2 GLN 79 HG2 GLN 79 84.579 -3.170 -10.552 592 HG3 GLN 79 HG1 GLN 79 84.173 -2.630 -8.926 593 HE21 GLN 79 HE21 GLN 79 85.835 -4.830 -9.898 594 HE22 GLN 79 HE22 GLN 79 85.220 -6.253 -9.175 595 H GLU 80 HN GLU 80 82.656 -2.684 -12.918 596 HA GLU 80 HA GLU 80 84.065 -0.695 -14.282 597 HB2 GLU 80 HB2 GLU 80 85.924 -1.556 -12.846 598 HB3 GLU 80 HB1 GLU 80 85.690 -3.154 -13.541 599 HG2 GLU 80 HG2 GLU 80 87.583 -1.828 -14.507 600 HG3 GLU 80 HG1 GLU 80 86.408 -2.419 -15.679 601 H GLU 81 HN GLU 81 84.110 -1.084 -16.419 602 HA GLU 81 HA GLU 81 82.056 -2.951 -17.211 603 HB2 GLU 81 HB2 GLU 81 83.442 -0.760 -18.738 604 HB3 GLU 81 HB1 GLU 81 82.064 -1.694 -19.325 605 HG2 GLU 81 HG2 GLU 81 80.695 -0.847 -17.502 606 HG3 GLU 81 HG1 GLU 81 82.072 0.053 -16.870 607 H GLN 82 HN GLN 82 85.442 -2.411 -17.844 608 HA GLN 82 HA GLN 82 85.475 -5.003 -19.213 609 HB2 GLN 82 HB2 GLN 82 87.292 -4.243 -20.697 610 HB3 GLN 82 HB1 GLN 82 85.817 -3.332 -20.953 611 HG2 GLN 82 HG2 GLN 82 86.724 -1.435 -19.777 612 HG3 GLN 82 HG1 GLN 82 88.160 -2.359 -19.327 613 HE21 GLN 82 HE21 GLN 82 88.431 -3.632 -21.938 614 HE22 GLN 82 HE22 GLN 82 89.007 -2.423 -23.017 615 H GLY 83 HN GLY 83 87.962 -5.718 -19.377 616 HA2 GLY 83 HA2 GLY 83 90.031 -5.795 -18.177 617 HA3 GLY 83 HA1 GLY 83 89.175 -5.206 -16.749 618 H GLU 84 HN GLU 84 87.390 -6.669 -15.995 619 HA GLU 84 HA GLU 84 88.454 -9.343 -15.848 620 HB2 GLU 84 HB2 GLU 84 87.512 -8.194 -13.843 621 HB3 GLU 84 HB1 GLU 84 85.936 -8.215 -14.607 622 HG2 GLU 84 HG2 GLU 84 85.994 -10.661 -14.634 623 HG3 GLU 84 HG1 GLU 84 87.559 -10.608 -13.822 624 H GLU 85 HN GLU 85 85.293 -7.951 -16.645 625 HA GLU 85 HA GLU 85 84.729 -10.257 -18.309 626 HB2 GLU 85 HB2 GLU 85 83.056 -7.905 -17.421 627 HB3 GLU 85 HB1 GLU 85 82.497 -9.119 -18.559 628 HG2 GLU 85 HG2 GLU 85 83.348 -9.660 -15.719 629 HG3 GLU 85 HG1 GLU 85 81.686 -9.535 -16.284 630 H THR 86 HN THR 86 84.199 -9.982 -20.522 631 HA THR 86 HA THR 86 84.588 -7.400 -21.708 632 HB THR 86 HB THR 86 86.331 -9.747 -22.574 633 HG1 THR 86 HG1 THR 86 86.628 -8.001 -20.668 634 HG21 THR 86 HG21 THR 86 86.242 -6.877 -23.567 635 HG22 THR 86 HG22 THR 86 85.620 -8.270 -24.442 636 HG23 THR 86 HG23 THR 86 87.352 -8.132 -24.128 637 HA PRO 87 HA PRO 87 81.212 -9.871 -23.572 638 HB2 PRO 87 HB2 PRO 87 79.868 -7.273 -23.679 639 HB3 PRO 87 HB1 PRO 87 79.346 -8.765 -22.900 640 HG2 PRO 87 HG2 PRO 87 80.109 -6.609 -21.467 641 HG3 PRO 87 HG1 PRO 87 80.416 -8.263 -20.914 642 HD2 PRO 87 HD2 PRO 87 82.275 -6.339 -22.253 643 HD3 PRO 87 HD1 PRO 87 82.575 -7.422 -20.871 644 H ARG 88 HN ARG 88 82.282 -6.607 -24.385 645 HA ARG 88 HA ARG 88 82.514 -7.277 -27.152 646 HB2 ARG 88 HB2 ARG 88 81.017 -5.411 -27.868 647 HB3 ARG 88 HB1 ARG 88 80.169 -6.741 -27.097 648 HG2 ARG 88 HG2 ARG 88 80.140 -5.428 -24.990 649 HG3 ARG 88 HG1 ARG 88 80.856 -4.075 -25.866 650 HD2 ARG 88 HD2 ARG 88 78.922 -4.054 -27.379 651 HD3 ARG 88 HD1 ARG 88 78.210 -5.394 -26.484 652 HE ARG 88 HE ARG 88 78.689 -3.509 -24.604 653 HH11 ARG 88 HH11 ARG 88 76.729 -3.651 -27.558 654 HH12 ARG 88 HH12 ARG 88 75.641 -2.441 -27.079 655 HH21 ARG 88 HH21 ARG 88 77.176 -1.807 -23.931 656 HH22 ARG 88 HH22 ARG 88 75.927 -1.343 -24.971 657 H SER 89 HN SER 89 83.930 -5.905 -28.192 658 HA SER 89 HA SER 89 85.100 -3.855 -26.471 659 HB2 SER 89 HB2 SER 89 86.458 -5.343 -28.737 660 HB3 SER 89 HB1 SER 89 87.216 -4.248 -27.576 661 HG SER 89 HG SER 89 86.112 -6.791 -27.156 662 H HIS 90 HN HIS 90 83.715 -2.260 -27.145 663 HA HIS 90 HA HIS 90 83.681 -1.615 -29.985 664 HB2 HIS 90 HB2 HIS 90 81.984 -0.592 -27.698 665 HB3 HIS 90 HB1 HIS 90 81.921 0.071 -29.323 666 HD1 HIS 90 HD1 HIS 90 79.310 -0.858 -28.533 667 HD2 HIS 90 HD2 HIS 90 82.128 -3.562 -29.937 668 HE1 HIS 90 HE1 HIS 90 78.013 -2.828 -29.404 669 H HIS 91 HN HIS 91 85.736 -0.813 -30.124 670 HA HIS 91 HA HIS 91 86.185 1.559 -28.525 671 HB2 HIS 91 HB2 HIS 91 88.638 1.315 -28.937 672 HB3 HIS 91 HB1 HIS 91 87.940 -0.003 -28.012 673 HD1 HIS 91 HD1 HIS 91 90.011 0.691 -30.964 674 HD2 HIS 91 HD2 HIS 91 87.625 -2.425 -29.600 675 HE1 HIS 91 HE1 HIS 91 90.689 -1.337 -32.287 676 H HIS 92 HN HIS 92 84.840 2.659 -29.887 677 HA HIS 92 HA HIS 92 85.745 3.265 -32.516 678 HB2 HIS 92 HB2 HIS 92 84.058 5.174 -32.385 679 HB3 HIS 92 HB1 HIS 92 83.372 3.580 -32.145 680 HD1 HIS 92 HD1 HIS 92 82.203 3.147 -29.855 681 HD2 HIS 92 HD2 HIS 92 84.079 6.855 -30.122 682 HE1 HIS 92 HE1 HIS 92 81.452 4.452 -27.852 683 H HIS 93 HN HIS 93 87.255 4.666 -33.067 684 HA HIS 93 HA HIS 93 88.807 5.728 -30.916 685 HB2 HIS 93 HB2 HIS 93 89.296 5.841 -33.893 686 HB3 HIS 93 HB1 HIS 93 90.418 6.420 -32.666 687 HD1 HIS 93 HD1 HIS 93 90.114 3.622 -34.740 688 HD2 HIS 93 HD2 HIS 93 90.720 4.090 -30.662 689 HE1 HIS 93 HE1 HIS 93 91.101 1.450 -33.927 690 H HIS 94 HN HIS 94 87.864 7.282 -29.962 691 HA HIS 94 HA HIS 94 87.284 9.350 -29.364 692 HB2 HIS 94 HB2 HIS 94 88.290 10.252 -32.089 693 HB3 HIS 94 HB1 HIS 94 87.961 11.296 -30.710 694 HD1 HIS 94 HD1 HIS 94 90.712 9.697 -32.358 695 HD2 HIS 94 HD2 HIS 94 89.691 10.458 -28.409 696 HE1 HIS 94 HE1 HIS 94 92.839 9.476 -31.040 697 H HIS 95 HN HIS 95 86.604 9.479 -32.789 698 HA HIS 95 HA HIS 95 84.039 8.760 -33.022 699 HB2 HIS 95 HB2 HIS 95 83.514 10.713 -31.433 700 HB3 HIS 95 HB1 HIS 95 84.118 11.797 -32.685 701 HD1 HIS 95 HD1 HIS 95 82.310 12.678 -34.204 702 HD2 HIS 95 HD2 HIS 95 81.298 9.049 -32.464 703 HE1 HIS 95 HE1 HIS 95 79.937 12.197 -34.911 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 86.368 15.817 -1.465 2 H2 MET 1 HT2 MET 1 87.236 14.959 -2.631 3 H3 MET 1 HT3 MET 1 86.167 14.172 -1.601 4 HA MET 1 HA MET 1 85.320 16.227 -3.516 5 HB2 MET 1 HB2 MET 1 86.038 14.317 -4.789 6 HB3 MET 1 HB1 MET 1 85.228 13.207 -3.692 7 HG2 MET 1 HG2 MET 1 83.989 13.416 -5.750 8 HG3 MET 1 HG1 MET 1 83.069 14.074 -4.405 9 HE1 MET 1 HE1 MET 1 85.066 16.486 -7.777 10 HE2 MET 1 HE2 MET 1 84.961 14.727 -7.692 11 HE3 MET 1 HE3 MET 1 86.018 15.602 -6.585 12 H HIS 2 HN HIS 2 83.841 17.235 -2.290 13 HA HIS 2 HA HIS 2 81.979 15.611 -0.724 14 HB2 HIS 2 HB2 HIS 2 82.308 18.620 -0.785 15 HB3 HIS 2 HB1 HIS 2 81.199 17.746 0.252 16 HD1 HIS 2 HD1 HIS 2 82.995 15.611 1.467 17 HD2 HIS 2 HD2 HIS 2 84.236 19.516 0.803 18 HE1 HIS 2 HE1 HIS 2 84.902 16.018 3.054 19 H THR 3 HN THR 3 82.054 17.884 -3.399 20 HA THR 3 HA THR 3 79.304 18.245 -3.684 21 HB THR 3 HB THR 3 81.483 18.462 -5.757 22 HG1 THR 3 HG1 THR 3 80.391 20.235 -3.840 23 HG21 THR 3 HG21 THR 3 79.928 20.035 -6.888 24 HG22 THR 3 HG22 THR 3 78.683 19.631 -5.703 25 HG23 THR 3 HG23 THR 3 79.279 18.400 -6.813 26 H ASN 4 HN ASN 4 81.449 16.017 -5.499 27 HA ASN 4 HA ASN 4 79.004 14.829 -6.534 28 HB2 ASN 4 HB2 ASN 4 81.868 14.391 -7.439 29 HB3 ASN 4 HB1 ASN 4 80.448 13.648 -8.167 30 HD21 ASN 4 HD21 ASN 4 79.053 14.942 -9.394 31 HD22 ASN 4 HD22 ASN 4 79.548 16.457 -10.025 32 H TRP 5 HN TRP 5 78.317 13.635 -4.959 33 HA TRP 5 HA TRP 5 80.147 11.629 -3.995 34 HB2 TRP 5 HB2 TRP 5 78.570 11.429 -1.958 35 HB3 TRP 5 HB1 TRP 5 79.686 12.779 -2.017 36 HD1 TRP 5 HD1 TRP 5 77.762 14.738 -3.803 37 HE1 TRP 5 HE1 TRP 5 75.776 15.803 -2.683 38 HE3 TRP 5 HE3 TRP 5 77.210 11.485 0.136 39 HZ2 TRP 5 HZ2 TRP 5 74.164 15.387 -0.388 40 HZ3 TRP 5 HZ3 TRP 5 75.431 11.931 1.748 41 HH2 TRP 5 HH2 TRP 5 73.938 13.832 1.496 42 H GLN 6 HN GLN 6 79.074 9.628 -3.200 43 HA GLN 6 HA GLN 6 78.064 8.481 -5.602 44 HB2 GLN 6 HB2 GLN 6 78.411 7.327 -2.862 45 HB3 GLN 6 HB1 GLN 6 78.145 6.414 -4.337 46 HG2 GLN 6 HG2 GLN 6 80.273 6.945 -5.189 47 HG3 GLN 6 HG1 GLN 6 80.510 8.232 -4.007 48 HE21 GLN 6 HE21 GLN 6 79.529 6.723 -1.776 49 HE22 GLN 6 HE22 GLN 6 80.743 5.567 -1.402 50 H VAL 7 HN VAL 7 76.043 8.426 -6.128 51 HA VAL 7 HA VAL 7 74.008 8.238 -4.037 52 HB VAL 7 HB VAL 7 72.437 9.397 -5.587 53 HG11 VAL 7 HG11 VAL 7 73.346 11.663 -5.410 54 HG12 VAL 7 HG12 VAL 7 74.930 10.999 -5.041 55 HG13 VAL 7 HG13 VAL 7 73.587 10.748 -3.927 56 HG21 VAL 7 HG21 VAL 7 73.276 10.599 -7.566 57 HG22 VAL 7 HG22 VAL 7 73.476 8.857 -7.728 58 HG23 VAL 7 HG23 VAL 7 74.865 9.869 -7.325 59 H CYS 8 HN CYS 8 72.771 6.505 -4.170 60 HA CYS 8 HA CYS 8 72.619 5.084 -6.687 61 HB2 CYS 8 HB2 CYS 8 73.084 2.929 -5.478 62 HB3 CYS 8 HB1 CYS 8 74.479 3.991 -5.611 63 HG CYS 8 HG CYS 8 73.465 4.961 -2.858 64 H SER 9 HN SER 9 70.773 3.823 -6.837 65 HA SER 9 HA SER 9 68.830 4.425 -4.765 66 HB2 SER 9 HB2 SER 9 68.245 5.234 -7.023 67 HB3 SER 9 HB1 SER 9 68.408 3.611 -7.670 68 HG SER 9 HG SER 9 66.290 4.683 -6.783 69 H LEU 10 HN LEU 10 67.606 2.726 -4.030 70 HA LEU 10 HA LEU 10 68.662 0.043 -4.604 71 HB2 LEU 10 HB2 LEU 10 67.588 1.152 -2.051 72 HB3 LEU 10 HB1 LEU 10 68.044 -0.506 -2.271 73 HG LEU 10 HG LEU 10 69.908 1.870 -2.306 74 HD11 LEU 10 HD11 LEU 10 69.545 -0.376 -0.319 75 HD12 LEU 10 HD12 LEU 10 69.093 1.312 -0.076 76 HD13 LEU 10 HD13 LEU 10 70.791 0.869 -0.239 77 HD21 LEU 10 HD21 LEU 10 71.707 0.206 -2.379 78 HD22 LEU 10 HD22 LEU 10 70.701 0.159 -3.820 79 HD23 LEU 10 HD23 LEU 10 70.509 -1.074 -2.569 80 H VAL 11 HN VAL 11 67.155 -1.120 -5.516 81 HA VAL 11 HA VAL 11 64.364 -0.464 -5.025 82 HB VAL 11 HB VAL 11 65.537 -2.641 -6.815 83 HG11 VAL 11 HG11 VAL 11 62.675 -1.702 -6.547 84 HG12 VAL 11 HG12 VAL 11 63.316 -3.242 -5.972 85 HG13 VAL 11 HG13 VAL 11 63.263 -2.900 -7.699 86 HG21 VAL 11 HG21 VAL 11 64.805 -1.244 -8.683 87 HG22 VAL 11 HG22 VAL 11 65.960 -0.378 -7.661 88 HG23 VAL 11 HG23 VAL 11 64.238 -0.026 -7.544 89 H VAL 12 HN VAL 12 63.853 -1.055 -3.118 90 HA VAL 12 HA VAL 12 64.883 -3.527 -2.025 91 HB VAL 12 HB VAL 12 63.393 -1.228 -0.750 92 HG11 VAL 12 HG11 VAL 12 63.967 -2.267 1.397 93 HG12 VAL 12 HG12 VAL 12 64.680 -3.626 0.532 94 HG13 VAL 12 HG13 VAL 12 62.943 -3.328 0.424 95 HG21 VAL 12 HG21 VAL 12 65.531 -0.719 0.340 96 HG22 VAL 12 HG22 VAL 12 65.647 -0.611 -1.419 97 HG23 VAL 12 HG23 VAL 12 66.298 -2.015 -0.578 98 H GLN 13 HN GLN 13 63.695 -5.234 -2.376 99 HA GLN 13 HA GLN 13 60.809 -5.003 -2.578 100 HB2 GLN 13 HB2 GLN 13 62.083 -6.500 -4.155 101 HB3 GLN 13 HB1 GLN 13 62.595 -7.445 -2.767 102 HG2 GLN 13 HG2 GLN 13 60.284 -8.024 -2.277 103 HG3 GLN 13 HG1 GLN 13 59.745 -7.062 -3.648 104 HE21 GLN 13 HE21 GLN 13 60.068 -7.848 -5.724 105 HE22 GLN 13 HE22 GLN 13 60.526 -9.475 -6.040 106 H ALA 14 HN ALA 14 59.649 -5.230 -0.825 107 HA ALA 14 HA ALA 14 60.676 -6.762 1.429 108 HB1 ALA 14 HB1 ALA 14 60.021 -4.970 2.950 109 HB2 ALA 14 HB2 ALA 14 59.591 -3.950 1.578 110 HB3 ALA 14 HB3 ALA 14 61.272 -4.427 1.831 111 H LYS 15 HN LYS 15 58.810 -6.918 3.106 112 HA LYS 15 HA LYS 15 56.553 -8.051 1.864 113 HB2 LYS 15 HB2 LYS 15 56.971 -7.107 4.689 114 HB3 LYS 15 HB1 LYS 15 55.455 -7.826 4.243 115 HG2 LYS 15 HG2 LYS 15 56.563 -9.628 5.148 116 HG3 LYS 15 HG1 LYS 15 57.085 -9.798 3.471 117 HD2 LYS 15 HD2 LYS 15 59.098 -8.485 4.019 118 HD3 LYS 15 HD1 LYS 15 58.596 -8.460 5.702 119 HE2 LYS 15 HE2 LYS 15 59.363 -10.857 4.043 120 HE3 LYS 15 HE1 LYS 15 60.236 -10.146 5.398 121 HZ1 LYS 15 HZ1 LYS 15 59.091 -12.141 6.021 122 HZ2 LYS 15 HZ2 LYS 15 57.622 -11.531 5.523 123 HZ3 LYS 15 HZ3 LYS 15 58.385 -10.851 6.862 124 H SER 16 HN SER 16 54.778 -7.188 1.064 125 HA SER 16 HA SER 16 54.617 -4.416 0.713 126 HB2 SER 16 HB2 SER 16 52.347 -5.050 -0.319 127 HB3 SER 16 HB1 SER 16 53.799 -5.736 -1.043 128 HG SER 16 HG SER 16 53.024 -7.624 -0.622 129 H GLU 17 HN GLU 17 53.262 -6.584 3.005 130 HA GLU 17 HA GLU 17 51.299 -4.783 4.113 131 HB2 GLU 17 HB2 GLU 17 51.119 -6.464 5.902 132 HB3 GLU 17 HB1 GLU 17 51.001 -7.197 4.307 133 HG2 GLU 17 HG2 GLU 17 53.249 -8.005 4.438 134 HG3 GLU 17 HG1 GLU 17 53.527 -7.122 5.937 135 H ARG 18 HN ARG 18 54.637 -4.898 4.239 136 HA ARG 18 HA ARG 18 54.692 -3.701 6.914 137 HB2 ARG 18 HB2 ARG 18 55.621 -6.034 6.719 138 HB3 ARG 18 HB1 ARG 18 56.857 -5.376 5.657 139 HG2 ARG 18 HG2 ARG 18 57.599 -3.899 7.433 140 HG3 ARG 18 HG1 ARG 18 56.330 -4.565 8.452 141 HD2 ARG 18 HD2 ARG 18 57.319 -6.688 8.458 142 HD3 ARG 18 HD1 ARG 18 58.565 -6.193 7.306 143 HE ARG 18 HE ARG 18 58.744 -4.388 9.321 144 HH11 ARG 18 HH11 ARG 18 58.931 -7.921 9.238 145 HH12 ARG 18 HH12 ARG 18 60.037 -8.003 10.531 146 HH21 ARG 18 HH21 ARG 18 60.102 -4.505 11.083 147 HH22 ARG 18 HH22 ARG 18 60.714 -6.005 11.645 148 H ILE 19 HN ILE 19 54.570 -2.645 4.089 149 HA ILE 19 HA ILE 19 57.058 -1.527 3.386 150 HB ILE 19 HB ILE 19 54.238 -0.867 2.540 151 HG12 ILE 19 HG12 ILE 19 55.170 -2.948 1.794 152 HG13 ILE 19 HG11 ILE 19 54.939 -1.867 0.418 153 HG21 ILE 19 HG21 ILE 19 55.518 1.235 2.405 154 HG22 ILE 19 HG22 ILE 19 55.063 0.618 0.818 155 HG23 ILE 19 HG23 ILE 19 56.716 0.409 1.393 156 HD11 ILE 19 HD11 ILE 19 57.040 -3.050 0.189 157 HD12 ILE 19 HD12 ILE 19 57.541 -2.558 1.792 158 HD13 ILE 19 HD13 ILE 19 57.366 -1.352 0.514 159 H SER 20 HN SER 20 54.319 -0.131 5.146 160 HA SER 20 HA SER 20 55.435 2.412 5.445 161 HB2 SER 20 HB2 SER 20 53.542 0.980 7.325 162 HB3 SER 20 HB1 SER 20 53.742 2.727 7.151 163 HG SER 20 HG SER 20 53.099 2.437 4.927 164 H ASP 21 HN ASP 21 55.703 -0.494 7.438 165 HA ASP 21 HA ASP 21 57.180 0.623 9.560 166 HB2 ASP 21 HB2 ASP 21 56.153 -1.495 9.907 167 HB3 ASP 21 HB1 ASP 21 56.990 -2.194 8.528 168 H ILE 22 HN ILE 22 58.328 -1.303 6.817 169 HA ILE 22 HA ILE 22 61.055 -1.027 7.508 170 HB ILE 22 HB ILE 22 59.801 -1.848 4.865 171 HG12 ILE 22 HG12 ILE 22 61.016 -3.497 7.071 172 HG13 ILE 22 HG11 ILE 22 59.294 -3.207 6.874 173 HG21 ILE 22 HG21 ILE 22 62.658 -2.152 5.830 174 HG22 ILE 22 HG22 ILE 22 62.118 -1.111 4.515 175 HG23 ILE 22 HG23 ILE 22 61.999 -2.862 4.358 176 HD11 ILE 22 HD11 ILE 22 61.077 -4.560 4.868 177 HD12 ILE 22 HD12 ILE 22 59.320 -4.344 4.756 178 HD13 ILE 22 HD13 ILE 22 60.008 -5.377 6.006 179 H SER 23 HN SER 23 58.981 0.894 5.405 180 HA SER 23 HA SER 23 61.031 2.438 4.251 181 HB2 SER 23 HB2 SER 23 58.581 2.309 3.535 182 HB3 SER 23 HB1 SER 23 58.203 3.338 4.904 183 HG SER 23 HG SER 23 59.278 4.991 3.980 184 H THR 24 HN THR 24 59.554 2.494 7.428 185 HA THR 24 HA THR 24 60.461 5.181 8.017 186 HB THR 24 HB THR 24 59.205 3.077 9.803 187 HG1 THR 24 HG1 THR 24 57.708 3.632 8.282 188 HG21 THR 24 HG21 THR 24 59.505 6.068 10.187 189 HG22 THR 24 HG22 THR 24 60.399 4.822 11.054 190 HG23 THR 24 HG23 THR 24 58.658 4.973 11.282 191 H GLN 25 HN GLN 25 61.375 1.882 8.453 192 HA GLN 25 HA GLN 25 63.448 2.315 10.271 193 HB2 GLN 25 HB2 GLN 25 62.456 0.201 8.508 194 HB3 GLN 25 HB1 GLN 25 64.028 -0.049 9.183 195 HG2 GLN 25 HG2 GLN 25 62.815 0.455 11.453 196 HG3 GLN 25 HG1 GLN 25 61.353 0.146 10.524 197 HE21 GLN 25 HE21 GLN 25 60.890 -2.003 9.861 198 HE22 GLN 25 HE22 GLN 25 61.859 -3.305 10.420 199 H LEU 26 HN LEU 26 63.317 1.916 6.689 200 HA LEU 26 HA LEU 26 66.079 2.051 6.363 201 HB2 LEU 26 HB2 LEU 26 63.850 2.494 4.380 202 HB3 LEU 26 HB1 LEU 26 65.518 2.266 4.002 203 HG LEU 26 HG LEU 26 63.627 0.259 5.163 204 HD11 LEU 26 HD11 LEU 26 65.190 0.271 2.603 205 HD12 LEU 26 HD12 LEU 26 63.461 0.587 2.776 206 HD13 LEU 26 HD13 LEU 26 64.111 -1.006 3.162 207 HD21 LEU 26 HD21 LEU 26 66.610 0.031 4.812 208 HD22 LEU 26 HD22 LEU 26 65.535 -1.341 5.086 209 HD23 LEU 26 HD23 LEU 26 65.689 -0.086 6.310 210 H ASN 27 HN ASN 27 63.540 4.516 6.398 211 HA ASN 27 HA ASN 27 65.231 6.528 5.303 212 HB2 ASN 27 HB2 ASN 27 62.773 6.346 4.965 213 HB3 ASN 27 HB1 ASN 27 62.551 6.638 6.673 214 HD21 ASN 27 HD21 ASN 27 61.268 8.333 6.082 215 HD22 ASN 27 HD22 ASN 27 61.950 9.837 5.589 216 H ALA 28 HN ALA 28 65.464 5.012 8.117 217 HA ALA 28 HA ALA 28 65.881 7.375 9.786 218 HB1 ALA 28 HB1 ALA 28 65.886 5.851 11.674 219 HB2 ALA 28 HB2 ALA 28 65.834 4.473 10.579 220 HB3 ALA 28 HB3 ALA 28 64.456 5.563 10.674 221 H PHE 29 HN PHE 29 67.767 5.830 7.592 222 HA PHE 29 HA PHE 29 70.047 5.626 9.307 223 HB2 PHE 29 HB2 PHE 29 69.349 4.684 6.566 224 HB3 PHE 29 HB1 PHE 29 70.994 4.636 7.171 225 HD1 PHE 29 HD2 PHE 29 71.159 3.383 9.520 226 HD2 PHE 29 HD1 PHE 29 68.035 2.938 6.704 227 HE1 PHE 29 HE2 PHE 29 70.595 1.192 10.519 228 HE2 PHE 29 HE1 PHE 29 67.442 0.739 7.685 229 HZ PHE 29 HZ PHE 29 68.729 -0.129 9.595 230 HA PRO 30 HA PRO 30 71.600 9.499 7.753 231 HB2 PRO 30 HB2 PRO 30 74.336 8.496 7.736 232 HB3 PRO 30 HB1 PRO 30 73.596 9.668 8.826 233 HG2 PRO 30 HG2 PRO 30 74.340 7.167 9.610 234 HG3 PRO 30 HG1 PRO 30 73.016 8.075 10.357 235 HD2 PRO 30 HD2 PRO 30 72.897 5.837 8.381 236 HD3 PRO 30 HD1 PRO 30 71.850 6.210 9.766 237 H GLY 31 HN GLY 31 71.236 9.999 5.662 238 HA2 GLY 31 HA2 GLY 31 72.008 10.392 3.488 239 HA3 GLY 31 HA1 GLY 31 73.174 9.094 3.692 240 H CYS 32 HN CYS 32 70.362 7.913 4.819 241 HA CYS 32 HA CYS 32 69.720 6.701 2.247 242 HB2 CYS 32 HB2 CYS 32 70.746 5.170 3.730 243 HB3 CYS 32 HB1 CYS 32 69.726 5.687 5.062 244 HG CYS 32 HG CYS 32 67.653 4.253 4.515 245 H GLU 33 HN GLU 33 67.892 7.509 1.529 246 HA GLU 33 HA GLU 33 65.682 7.852 3.413 247 HB2 GLU 33 HB2 GLU 33 66.587 10.097 2.926 248 HB3 GLU 33 HB1 GLU 33 66.362 9.797 1.202 249 HG2 GLU 33 HG2 GLU 33 63.946 9.556 1.576 250 HG3 GLU 33 HG1 GLU 33 64.195 9.898 3.274 251 H VAL 34 HN VAL 34 63.707 7.348 2.643 252 HA VAL 34 HA VAL 34 63.633 5.714 0.256 253 HB VAL 34 HB VAL 34 61.423 6.363 2.230 254 HG11 VAL 34 HG11 VAL 34 60.624 5.530 0.067 255 HG12 VAL 34 HG12 VAL 34 60.353 4.335 1.335 256 HG13 VAL 34 HG13 VAL 34 61.691 4.131 0.200 257 HG21 VAL 34 HG21 VAL 34 61.916 4.256 3.314 258 HG22 VAL 34 HG22 VAL 34 63.359 5.290 3.305 259 HG23 VAL 34 HG23 VAL 34 63.230 3.948 2.179 260 H ALA 35 HN ALA 35 62.844 6.443 -1.612 261 HA ALA 35 HA ALA 35 61.769 9.170 -1.664 262 HB1 ALA 35 HB1 ALA 35 62.881 7.516 -3.926 263 HB2 ALA 35 HB2 ALA 35 63.759 8.766 -3.038 264 HB3 ALA 35 HB3 ALA 35 62.373 9.200 -4.032 265 H VAL 36 HN VAL 36 61.198 6.007 -3.188 266 HA VAL 36 HA VAL 36 58.389 6.796 -3.524 267 HB VAL 36 HB VAL 36 59.957 4.959 -5.368 268 HG11 VAL 36 HG11 VAL 36 57.998 5.088 -6.831 269 HG12 VAL 36 HG12 VAL 36 57.163 6.053 -5.614 270 HG13 VAL 36 HG13 VAL 36 57.610 4.384 -5.260 271 HG21 VAL 36 HG21 VAL 36 59.772 6.744 -7.060 272 HG22 VAL 36 HG22 VAL 36 60.730 7.249 -5.665 273 HG23 VAL 36 HG23 VAL 36 59.066 7.807 -5.839 274 H SER 37 HN SER 37 57.073 5.537 -2.417 275 HA SER 37 HA SER 37 57.988 2.849 -1.680 276 HB2 SER 37 HB2 SER 37 55.837 4.455 -0.312 277 HB3 SER 37 HB1 SER 37 56.684 3.039 0.299 278 HG SER 37 HG SER 37 58.144 4.309 1.117 279 H ASP 38 HN ASP 38 57.056 1.522 -3.142 280 HA ASP 38 HA ASP 38 54.308 2.054 -4.060 281 HB2 ASP 38 HB2 ASP 38 55.988 -0.238 -5.105 282 HB3 ASP 38 HB1 ASP 38 54.624 0.499 -5.806 283 H ALA 39 HN ALA 39 53.113 1.345 -2.406 284 HA ALA 39 HA ALA 39 53.660 -0.854 -0.794 285 HB1 ALA 39 HB1 ALA 39 50.937 0.302 -1.358 286 HB2 ALA 39 HB2 ALA 39 52.083 0.932 -0.173 287 HB3 ALA 39 HB3 ALA 39 51.392 -0.675 0.037 288 HA PRO 40 HA PRO 40 50.408 -3.428 -3.632 289 HB2 PRO 40 HB2 PRO 40 50.763 -2.888 -6.299 290 HB3 PRO 40 HB1 PRO 40 49.516 -2.112 -5.312 291 HG2 PRO 40 HG2 PRO 40 52.306 -1.150 -5.875 292 HG3 PRO 40 HG1 PRO 40 50.834 -0.234 -6.179 293 HD2 PRO 40 HD2 PRO 40 52.086 0.279 -4.004 294 HD3 PRO 40 HD1 PRO 40 50.363 -0.144 -3.810 295 H SER 41 HN SER 41 53.549 -2.398 -4.821 296 HA SER 41 HA SER 41 54.075 -5.063 -5.845 297 HB2 SER 41 HB2 SER 41 55.629 -2.499 -6.137 298 HB3 SER 41 HB1 SER 41 55.975 -4.023 -6.962 299 HG SER 41 HG SER 41 54.583 -2.294 -8.046 300 H GLY 42 HN GLY 42 54.589 -3.361 -2.972 301 HA2 GLY 42 HA2 GLY 42 55.869 -3.888 -1.153 302 HA3 GLY 42 HA1 GLY 42 56.415 -5.329 -2.003 303 H GLN 43 HN GLN 43 56.712 -2.146 -3.354 304 HA GLN 43 HA GLN 43 59.609 -2.519 -3.465 305 HB2 GLN 43 HB2 GLN 43 57.637 -1.124 -5.194 306 HB3 GLN 43 HB1 GLN 43 59.328 -0.719 -5.310 307 HG2 GLN 43 HG2 GLN 43 59.836 -2.975 -5.968 308 HG3 GLN 43 HG1 GLN 43 58.169 -3.470 -5.667 309 HE21 GLN 43 HE21 GLN 43 58.815 -0.373 -7.124 310 HE22 GLN 43 HE22 GLN 43 58.292 -0.809 -8.697 311 H LEU 44 HN LEU 44 60.883 -1.217 -2.482 312 HA LEU 44 HA LEU 44 59.978 1.476 -1.772 313 HB2 LEU 44 HB2 LEU 44 61.745 -0.446 -0.266 314 HB3 LEU 44 HB1 LEU 44 61.658 1.268 0.101 315 HG LEU 44 HG LEU 44 59.296 -0.595 0.217 316 HD11 LEU 44 HD11 LEU 44 61.142 0.325 2.423 317 HD12 LEU 44 HD12 LEU 44 60.989 -1.322 1.797 318 HD13 LEU 44 HD13 LEU 44 59.638 -0.571 2.642 319 HD21 LEU 44 HD21 LEU 44 59.821 2.195 1.211 320 HD22 LEU 44 HD22 LEU 44 58.449 1.229 1.691 321 HD23 LEU 44 HD23 LEU 44 58.641 1.696 -0.006 322 H ILE 45 HN ILE 45 61.029 2.859 -2.999 323 HA ILE 45 HA ILE 45 63.666 2.180 -4.055 324 HB ILE 45 HB ILE 45 61.834 4.551 -4.522 325 HG12 ILE 45 HG12 ILE 45 61.083 2.474 -5.599 326 HG13 ILE 45 HG11 ILE 45 61.576 3.677 -6.791 327 HG21 ILE 45 HG21 ILE 45 64.515 4.014 -5.791 328 HG22 ILE 45 HG22 ILE 45 64.120 5.327 -4.680 329 HG23 ILE 45 HG23 ILE 45 63.387 5.278 -6.281 330 HD11 ILE 45 HD11 ILE 45 63.709 2.486 -7.045 331 HD12 ILE 45 HD12 ILE 45 62.317 1.472 -7.429 332 HD13 ILE 45 HD13 ILE 45 63.154 1.275 -5.891 333 H VAL 46 HN VAL 46 65.324 2.666 -2.879 334 HA VAL 46 HA VAL 46 65.094 4.889 -0.981 335 HB VAL 46 HB VAL 46 66.772 2.374 -0.702 336 HG11 VAL 46 HG11 VAL 46 66.305 4.639 1.224 337 HG12 VAL 46 HG12 VAL 46 67.793 4.325 0.334 338 HG13 VAL 46 HG13 VAL 46 67.236 3.177 1.553 339 HG21 VAL 46 HG21 VAL 46 64.451 1.815 -0.379 340 HG22 VAL 46 HG22 VAL 46 64.221 3.216 0.653 341 HG23 VAL 46 HG23 VAL 46 65.216 1.884 1.219 342 H VAL 47 HN VAL 47 66.401 6.515 -1.374 343 HA VAL 47 HA VAL 47 68.611 6.106 -3.245 344 HB VAL 47 HB VAL 47 67.409 8.718 -2.252 345 HG11 VAL 47 HG11 VAL 47 69.388 8.205 -4.479 346 HG12 VAL 47 HG12 VAL 47 69.750 8.940 -2.920 347 HG13 VAL 47 HG13 VAL 47 68.690 9.771 -4.060 348 HG21 VAL 47 HG21 VAL 47 66.410 8.919 -4.488 349 HG22 VAL 47 HG22 VAL 47 65.807 7.495 -3.639 350 HG23 VAL 47 HG23 VAL 47 67.023 7.319 -4.902 351 H VAL 48 HN VAL 48 70.387 5.611 -2.300 352 HA VAL 48 HA VAL 48 70.974 6.727 0.337 353 HB VAL 48 HB VAL 48 72.198 4.304 -1.013 354 HG11 VAL 48 HG11 VAL 48 73.753 5.411 0.521 355 HG12 VAL 48 HG12 VAL 48 73.229 3.860 1.186 356 HG13 VAL 48 HG13 VAL 48 72.540 5.359 1.801 357 HG21 VAL 48 HG21 VAL 48 70.999 2.994 0.693 358 HG22 VAL 48 HG22 VAL 48 69.905 3.868 -0.381 359 HG23 VAL 48 HG23 VAL 48 70.207 4.472 1.244 360 H GLU 49 HN GLU 49 72.253 8.329 0.279 361 HA GLU 49 HA GLU 49 74.298 8.419 -1.770 362 HB2 GLU 49 HB2 GLU 49 74.067 10.909 -1.723 363 HB3 GLU 49 HB1 GLU 49 72.650 10.065 -2.315 364 HG2 GLU 49 HG2 GLU 49 71.725 10.309 0.055 365 HG3 GLU 49 HG1 GLU 49 73.043 11.470 0.277 366 H ALA 50 HN ALA 50 76.241 8.430 -1.086 367 HA ALA 50 HA ALA 50 76.953 9.482 1.513 368 HB1 ALA 50 HB1 ALA 50 77.498 6.616 0.719 369 HB2 ALA 50 HB2 ALA 50 76.419 7.146 2.013 370 HB3 ALA 50 HB3 ALA 50 78.157 7.421 2.144 371 H GLU 51 HN GLU 51 79.108 10.008 1.602 372 HA GLU 51 HA GLU 51 80.172 10.723 -0.938 373 HB2 GLU 51 HB2 GLU 51 80.231 12.175 1.047 374 HB3 GLU 51 HB1 GLU 51 81.337 11.042 1.806 375 HG2 GLU 51 HG2 GLU 51 82.935 11.434 -0.003 376 HG3 GLU 51 HG1 GLU 51 81.837 12.629 -0.688 377 H ASP 52 HN ASP 52 81.442 8.783 1.750 378 HA ASP 52 HA ASP 52 83.671 7.963 0.105 379 HB2 ASP 52 HB2 ASP 52 82.942 7.230 2.941 380 HB3 ASP 52 HB1 ASP 52 84.371 6.644 2.111 381 H SER 53 HN SER 53 84.193 5.872 -0.448 382 HA SER 53 HA SER 53 82.072 4.391 -1.540 383 HB2 SER 53 HB2 SER 53 84.291 4.466 -2.559 384 HB3 SER 53 HB1 SER 53 84.989 3.682 -1.145 385 HG SER 53 HG SER 53 83.269 2.612 -3.118 386 H GLU 54 HN GLU 54 84.189 3.817 1.216 387 HA GLU 54 HA GLU 54 83.040 1.306 1.847 388 HB2 GLU 54 HB2 GLU 54 84.281 1.551 4.022 389 HB3 GLU 54 HB1 GLU 54 85.270 1.581 2.573 390 HG2 GLU 54 HG2 GLU 54 84.390 4.095 3.979 391 HG3 GLU 54 HG1 GLU 54 85.835 3.194 4.434 392 H THR 55 HN THR 55 82.557 4.585 2.974 393 HA THR 55 HA THR 55 80.807 4.015 5.060 394 HB THR 55 HB THR 55 80.823 6.454 3.269 395 HG1 THR 55 HG1 THR 55 82.127 7.151 5.210 396 HG21 THR 55 HG21 THR 55 78.881 6.328 4.750 397 HG22 THR 55 HG22 THR 55 79.993 7.595 5.283 398 HG23 THR 55 HG23 THR 55 79.946 6.046 6.129 399 H LEU 56 HN LEU 56 80.280 4.390 1.587 400 HA LEU 56 HA LEU 56 77.474 4.374 1.584 401 HB2 LEU 56 HB2 LEU 56 78.904 4.920 -0.382 402 HB3 LEU 56 HB1 LEU 56 79.369 3.236 -0.478 403 HG LEU 56 HG LEU 56 76.975 2.668 -0.908 404 HD11 LEU 56 HD11 LEU 56 75.931 4.633 0.066 405 HD12 LEU 56 HD12 LEU 56 75.460 4.446 -1.622 406 HD13 LEU 56 HD13 LEU 56 76.666 5.649 -1.172 407 HD21 LEU 56 HD21 LEU 56 78.294 4.555 -2.855 408 HD22 LEU 56 HD22 LEU 56 76.994 3.430 -3.244 409 HD23 LEU 56 HD23 LEU 56 78.564 2.815 -2.739 410 H ILE 57 HN ILE 57 79.845 1.767 1.274 411 HA ILE 57 HA ILE 57 78.046 -0.378 1.073 412 HB ILE 57 HB ILE 57 80.848 -0.442 2.247 413 HG12 ILE 57 HG12 ILE 57 79.945 -0.874 -0.618 414 HG13 ILE 57 HG11 ILE 57 80.761 0.559 -0.024 415 HG21 ILE 57 HG21 ILE 57 79.178 -2.646 1.013 416 HG22 ILE 57 HG22 ILE 57 79.552 -2.472 2.727 417 HG23 ILE 57 HG23 ILE 57 80.845 -2.805 1.572 418 HD11 ILE 57 HD11 ILE 57 81.910 -2.226 -0.105 419 HD12 ILE 57 HD12 ILE 57 82.741 -0.792 0.495 420 HD13 ILE 57 HD13 ILE 57 82.297 -0.903 -1.208 421 H GLN 58 HN GLN 58 79.609 1.074 3.907 422 HA GLN 58 HA GLN 58 78.644 -0.746 5.821 423 HB2 GLN 58 HB2 GLN 58 79.366 2.158 6.259 424 HB3 GLN 58 HB1 GLN 58 79.128 0.982 7.533 425 HG2 GLN 58 HG2 GLN 58 81.342 1.122 5.509 426 HG3 GLN 58 HG1 GLN 58 81.454 1.215 7.265 427 HE21 GLN 58 HE21 GLN 58 81.216 -0.726 8.470 428 HE22 GLN 58 HE22 GLN 58 81.445 -2.261 7.737 429 H THR 59 HN THR 59 77.201 2.117 4.469 430 HA THR 59 HA THR 59 75.034 2.176 6.323 431 HB THR 59 HB THR 59 75.238 3.471 3.591 432 HG1 THR 59 HG1 THR 59 76.927 4.312 4.715 433 HG21 THR 59 HG21 THR 59 73.606 4.203 6.040 434 HG22 THR 59 HG22 THR 59 72.958 3.483 4.567 435 HG23 THR 59 HG23 THR 59 73.643 5.107 4.529 436 H ILE 60 HN ILE 60 75.549 0.952 3.048 437 HA ILE 60 HA ILE 60 72.900 0.194 2.578 438 HB ILE 60 HB ILE 60 75.470 -0.782 1.313 439 HG12 ILE 60 HG12 ILE 60 73.306 1.092 0.320 440 HG13 ILE 60 HG11 ILE 60 74.876 1.580 0.945 441 HG21 ILE 60 HG21 ILE 60 73.768 -2.546 1.061 442 HG22 ILE 60 HG22 ILE 60 74.092 -1.768 -0.491 443 HG23 ILE 60 HG23 ILE 60 72.630 -1.365 0.413 444 HD11 ILE 60 HD11 ILE 60 75.968 0.473 -0.934 445 HD12 ILE 60 HD12 ILE 60 74.791 1.665 -1.490 446 HD13 ILE 60 HD13 ILE 60 74.397 -0.053 -1.538 447 H GLU 61 HN GLU 61 75.555 -1.617 4.134 448 HA GLU 61 HA GLU 61 74.057 -4.015 4.167 449 HB2 GLU 61 HB2 GLU 61 75.568 -4.889 5.870 450 HB3 GLU 61 HB1 GLU 61 76.463 -4.151 4.554 451 HG2 GLU 61 HG2 GLU 61 77.144 -2.372 5.877 452 HG3 GLU 61 HG1 GLU 61 75.866 -2.646 7.065 453 H SER 62 HN SER 62 74.223 -1.321 6.443 454 HA SER 62 HA SER 62 72.780 -2.352 8.571 455 HB2 SER 62 HB2 SER 62 72.851 0.339 7.320 456 HB3 SER 62 HB1 SER 62 72.171 0.040 8.901 457 HG SER 62 HG SER 62 74.531 -1.044 9.011 458 H VAL 63 HN VAL 63 71.754 -0.753 5.656 459 HA VAL 63 HA VAL 63 68.988 -0.665 5.975 460 HB VAL 63 HB VAL 63 70.870 -0.784 3.682 461 HG11 VAL 63 HG11 VAL 63 69.044 -0.139 2.125 462 HG12 VAL 63 HG12 VAL 63 67.883 -0.178 3.434 463 HG13 VAL 63 HG13 VAL 63 68.633 -1.679 2.882 464 HG21 VAL 63 HG21 VAL 63 70.256 1.592 3.413 465 HG22 VAL 63 HG22 VAL 63 70.958 1.200 4.984 466 HG23 VAL 63 HG23 VAL 63 69.219 1.440 4.830 467 H ARG 64 HN ARG 64 71.121 -3.126 4.633 468 HA ARG 64 HA ARG 64 68.986 -4.892 3.849 469 HB2 ARG 64 HB2 ARG 64 71.963 -5.341 4.007 470 HB3 ARG 64 HB1 ARG 64 70.815 -6.456 3.291 471 HG2 ARG 64 HG2 ARG 64 70.235 -4.783 1.604 472 HG3 ARG 64 HG1 ARG 64 71.393 -3.658 2.327 473 HD2 ARG 64 HD2 ARG 64 72.349 -4.781 0.381 474 HD3 ARG 64 HD1 ARG 64 73.204 -5.237 1.856 475 HE ARG 64 HE ARG 64 71.043 -6.953 0.982 476 HH11 ARG 64 HH11 ARG 64 74.545 -6.451 1.023 477 HH12 ARG 64 HH12 ARG 64 74.917 -8.105 0.872 478 HH21 ARG 64 HH21 ARG 64 71.552 -9.205 0.729 479 HH22 ARG 64 HH22 ARG 64 73.175 -9.714 0.703 480 H ASN 65 HN ASN 65 70.501 -4.230 6.786 481 HA ASN 65 HA ASN 65 70.263 -6.875 7.901 482 HB2 ASN 65 HB2 ASN 65 71.043 -4.215 9.072 483 HB3 ASN 65 HB1 ASN 65 70.847 -5.655 10.067 484 HD21 ASN 65 HD21 ASN 65 73.193 -4.073 9.680 485 HD22 ASN 65 HD22 ASN 65 74.373 -5.084 8.937 486 H VAL 66 HN VAL 66 68.142 -4.432 7.229 487 HA VAL 66 HA VAL 66 66.494 -4.658 9.568 488 HB VAL 66 HB VAL 66 65.805 -3.583 6.820 489 HG11 VAL 66 HG11 VAL 66 64.335 -3.384 9.441 490 HG12 VAL 66 HG12 VAL 66 63.869 -4.392 8.092 491 HG13 VAL 66 HG13 VAL 66 63.823 -2.621 7.926 492 HG21 VAL 66 HG21 VAL 66 66.003 -1.382 7.921 493 HG22 VAL 66 HG22 VAL 66 67.530 -2.265 7.922 494 HG23 VAL 66 HG23 VAL 66 66.558 -2.184 9.389 495 H GLU 67 HN GLU 67 65.436 -6.302 10.145 496 HA GLU 67 HA GLU 67 65.045 -8.373 8.333 497 HB2 GLU 67 HB2 GLU 67 64.282 -8.034 11.202 498 HB3 GLU 67 HB1 GLU 67 64.122 -9.518 10.260 499 HG2 GLU 67 HG2 GLU 67 66.512 -9.322 9.707 500 HG3 GLU 67 HG1 GLU 67 66.600 -8.012 10.881 501 H GLY 68 HN GLY 68 63.675 -8.344 7.026 502 HA2 GLY 68 HA2 GLY 68 61.088 -8.578 6.934 503 HA3 GLY 68 HA1 GLY 68 61.151 -6.842 7.238 504 H VAL 69 HN VAL 69 63.938 -7.224 5.747 505 HA VAL 69 HA VAL 69 62.813 -6.490 3.213 506 HB VAL 69 HB VAL 69 64.852 -5.375 4.175 507 HG11 VAL 69 HG11 VAL 69 66.254 -7.923 3.427 508 HG12 VAL 69 HG12 VAL 69 66.040 -7.265 5.052 509 HG13 VAL 69 HG13 VAL 69 67.048 -6.414 3.884 510 HG21 VAL 69 HG21 VAL 69 66.032 -5.172 2.045 511 HG22 VAL 69 HG22 VAL 69 64.270 -5.130 1.871 512 HG23 VAL 69 HG23 VAL 69 65.159 -6.592 1.448 513 H LEU 70 HN LEU 70 63.041 -7.600 1.241 514 HA LEU 70 HA LEU 70 63.364 -10.482 1.604 515 HB2 LEU 70 HB2 LEU 70 61.865 -8.895 -0.476 516 HB3 LEU 70 HB1 LEU 70 62.066 -10.631 -0.525 517 HG LEU 70 HG LEU 70 60.613 -9.141 1.661 518 HD11 LEU 70 HD11 LEU 70 59.556 -10.730 -0.674 519 HD12 LEU 70 HD12 LEU 70 59.427 -8.981 -0.465 520 HD13 LEU 70 HD13 LEU 70 58.589 -10.070 0.641 521 HD21 LEU 70 HD21 LEU 70 60.960 -12.067 1.045 522 HD22 LEU 70 HD22 LEU 70 59.782 -11.433 2.178 523 HD23 LEU 70 HD23 LEU 70 61.506 -11.211 2.492 524 H ALA 71 HN ALA 71 63.942 -7.920 -0.808 525 HA ALA 71 HA ALA 71 66.565 -9.005 -1.321 526 HB1 ALA 71 HB1 ALA 71 64.485 -8.883 -3.511 527 HB2 ALA 71 HB2 ALA 71 65.201 -10.346 -2.829 528 HB3 ALA 71 HB3 ALA 71 66.201 -9.220 -3.740 529 H VAL 72 HN VAL 72 67.894 -7.408 -1.738 530 HA VAL 72 HA VAL 72 66.772 -4.813 -2.534 531 HB VAL 72 HB VAL 72 69.438 -5.373 -1.180 532 HG11 VAL 72 HG11 VAL 72 69.599 -2.938 -0.910 533 HG12 VAL 72 HG12 VAL 72 68.103 -2.744 -1.824 534 HG13 VAL 72 HG13 VAL 72 69.537 -3.399 -2.613 535 HG21 VAL 72 HG21 VAL 72 68.448 -4.248 0.783 536 HG22 VAL 72 HG22 VAL 72 67.609 -5.741 0.359 537 HG23 VAL 72 HG23 VAL 72 66.904 -4.182 -0.063 538 H SER 73 HN SER 73 67.125 -4.261 -4.571 539 HA SER 73 HA SER 73 69.404 -5.444 -5.984 540 HB2 SER 73 HB2 SER 73 66.998 -5.643 -6.934 541 HB3 SER 73 HB1 SER 73 67.092 -3.894 -7.163 542 HG SER 73 HG SER 73 68.449 -4.132 -8.776 543 H LEU 74 HN LEU 74 71.116 -4.163 -6.168 544 HA LEU 74 HA LEU 74 70.933 -1.427 -5.234 545 HB2 LEU 74 HB2 LEU 74 72.777 -3.335 -4.858 546 HB3 LEU 74 HB1 LEU 74 73.472 -2.590 -6.276 547 HG LEU 74 HG LEU 74 72.977 -1.307 -3.589 548 HD11 LEU 74 HD11 LEU 74 75.523 -1.978 -5.029 549 HD12 LEU 74 HD12 LEU 74 74.866 -2.780 -3.599 550 HD13 LEU 74 HD13 LEU 74 75.402 -1.103 -3.505 551 HD21 LEU 74 HD21 LEU 74 74.116 0.679 -4.474 552 HD22 LEU 74 HD22 LEU 74 72.600 0.362 -5.320 553 HD23 LEU 74 HD23 LEU 74 74.137 -0.064 -6.075 554 H VAL 75 HN VAL 75 70.269 0.057 -6.652 555 HA VAL 75 HA VAL 75 70.853 -0.249 -9.450 556 HB VAL 75 HB VAL 75 69.367 1.960 -8.035 557 HG11 VAL 75 HG11 VAL 75 70.219 2.612 -10.250 558 HG12 VAL 75 HG12 VAL 75 68.457 2.482 -10.276 559 HG13 VAL 75 HG13 VAL 75 69.445 1.197 -10.967 560 HG21 VAL 75 HG21 VAL 75 67.318 0.869 -8.820 561 HG22 VAL 75 HG22 VAL 75 68.242 -0.164 -7.722 562 HG23 VAL 75 HG23 VAL 75 68.280 -0.459 -9.462 563 H TYR 76 HN TYR 76 72.886 -0.094 -9.391 564 HA TYR 76 HA TYR 76 74.159 2.467 -9.687 565 HB2 TYR 76 HB2 TYR 76 74.379 1.884 -7.187 566 HB3 TYR 76 HB1 TYR 76 75.263 0.453 -7.699 567 HD1 TYR 76 HD1 TYR 76 75.344 4.136 -7.565 568 HD2 TYR 76 HD2 TYR 76 77.581 0.583 -8.254 569 HE1 TYR 76 HE1 TYR 76 77.426 5.433 -7.423 570 HE2 TYR 76 HE2 TYR 76 79.677 1.876 -8.122 571 HH TYR 76 HH TYR 76 79.781 5.002 -6.879 572 H HIS 77 HN HIS 77 74.302 -1.004 -9.224 573 HA HIS 77 HA HIS 77 74.600 -2.676 -10.588 574 HB2 HIS 77 HB2 HIS 77 74.973 -0.596 -12.742 575 HB3 HIS 77 HB1 HIS 77 75.057 -2.321 -13.062 576 HD1 HIS 77 HD1 HIS 77 72.914 -1.669 -14.669 577 HD2 HIS 77 HD2 HIS 77 72.301 -1.551 -10.566 578 HE1 HIS 77 HE1 HIS 77 70.417 -1.672 -14.328 579 H GLN 78 HN GLN 78 76.161 -3.906 -11.649 580 HA GLN 78 HA GLN 78 78.878 -2.976 -11.068 581 HB2 GLN 78 HB2 GLN 78 77.959 -4.771 -9.511 582 HB3 GLN 78 HB1 GLN 78 77.948 -5.844 -10.904 583 HG2 GLN 78 HG2 GLN 78 79.936 -6.211 -9.595 584 HG3 GLN 78 HG1 GLN 78 80.362 -5.522 -11.165 585 HE21 GLN 78 HE21 GLN 78 80.169 -4.955 -7.769 586 HE22 GLN 78 HE22 GLN 78 81.096 -3.503 -7.733 587 H GLN 79 HN GLN 79 76.857 -5.178 -13.020 588 HA GLN 79 HA GLN 79 78.987 -5.299 -14.927 589 HB2 GLN 79 HB2 GLN 79 77.449 -6.818 -16.241 590 HB3 GLN 79 HB1 GLN 79 78.008 -7.426 -14.696 591 HG2 GLN 79 HG2 GLN 79 75.871 -6.928 -13.700 592 HG3 GLN 79 HG1 GLN 79 75.300 -6.210 -15.209 593 HE21 GLN 79 HE21 GLN 79 76.513 -8.217 -16.894 594 HE22 GLN 79 HE22 GLN 79 75.599 -9.658 -16.688 595 H GLU 80 HN GLU 80 79.189 -3.420 -15.610 596 HA GLU 80 HA GLU 80 77.203 -2.517 -17.583 597 HB2 GLU 80 HB2 GLU 80 77.313 -1.036 -15.543 598 HB3 GLU 80 HB1 GLU 80 79.007 -0.751 -15.892 599 HG2 GLU 80 HG2 GLU 80 77.656 1.113 -16.631 600 HG3 GLU 80 HG1 GLU 80 78.387 0.301 -18.015 601 H GLU 81 HN GLU 81 80.558 -2.159 -16.465 602 HA GLU 81 HA GLU 81 81.698 -1.573 -18.941 603 HB2 GLU 81 HB2 GLU 81 83.844 -2.149 -17.863 604 HB3 GLU 81 HB1 GLU 81 82.861 -1.041 -16.921 605 HG2 GLU 81 HG2 GLU 81 82.255 -2.767 -15.392 606 HG3 GLU 81 HG1 GLU 81 82.971 -4.009 -16.421 607 H GLN 82 HN GLN 82 81.015 -4.643 -17.453 608 HA GLN 82 HA GLN 82 82.516 -6.057 -19.511 609 HB2 GLN 82 HB2 GLN 82 81.931 -8.130 -18.278 610 HB3 GLN 82 HB1 GLN 82 82.747 -6.948 -17.263 611 HG2 GLN 82 HG2 GLN 82 80.675 -6.345 -16.207 612 HG3 GLN 82 HG1 GLN 82 79.761 -7.348 -17.328 613 HE21 GLN 82 HE21 GLN 82 82.798 -8.411 -15.916 614 HE22 GLN 82 HE22 GLN 82 82.098 -9.598 -14.898 615 H GLY 83 HN GLY 83 79.623 -4.674 -19.393 616 HA2 GLY 83 HA2 GLY 83 78.344 -5.231 -21.492 617 HA3 GLY 83 HA1 GLY 83 78.248 -6.844 -20.798 618 H GLU 84 HN GLU 84 76.516 -4.244 -21.283 619 HA GLU 84 HA GLU 84 75.274 -3.885 -18.720 620 HB2 GLU 84 HB2 GLU 84 73.718 -2.437 -20.016 621 HB3 GLU 84 HB1 GLU 84 75.410 -2.001 -20.192 622 HG2 GLU 84 HG2 GLU 84 75.446 -3.247 -22.351 623 HG3 GLU 84 HG1 GLU 84 73.709 -3.495 -22.181 624 H GLU 85 HN GLU 85 74.913 -5.958 -21.388 625 HA GLU 85 HA GLU 85 72.172 -6.612 -20.802 626 HB2 GLU 85 HB2 GLU 85 74.129 -7.815 -22.757 627 HB3 GLU 85 HB1 GLU 85 72.468 -8.354 -22.566 628 HG2 GLU 85 HG2 GLU 85 73.353 -5.609 -23.434 629 HG3 GLU 85 HG1 GLU 85 72.687 -6.872 -24.473 630 H THR 86 HN THR 86 71.459 -8.336 -19.713 631 HA THR 86 HA THR 86 73.388 -9.769 -18.180 632 HB THR 86 HB THR 86 71.088 -10.615 -17.179 633 HG1 THR 86 HG1 THR 86 69.811 -8.401 -17.510 634 HG21 THR 86 HG21 THR 86 72.016 -7.759 -16.802 635 HG22 THR 86 HG22 THR 86 72.703 -9.167 -15.991 636 HG23 THR 86 HG23 THR 86 71.042 -8.687 -15.664 637 HA PRO 87 HA PRO 87 72.786 -12.889 -21.269 638 HB2 PRO 87 HB2 PRO 87 74.944 -14.345 -20.771 639 HB3 PRO 87 HB1 PRO 87 75.033 -12.629 -21.275 640 HG2 PRO 87 HG2 PRO 87 75.312 -13.758 -18.519 641 HG3 PRO 87 HG1 PRO 87 76.359 -12.604 -19.362 642 HD2 PRO 87 HD2 PRO 87 74.297 -11.904 -17.645 643 HD3 PRO 87 HD1 PRO 87 74.992 -10.842 -18.887 644 H ARG 88 HN ARG 88 73.354 -15.519 -20.936 645 HA ARG 88 HA ARG 88 71.051 -16.368 -19.493 646 HB2 ARG 88 HB2 ARG 88 73.154 -17.921 -20.983 647 HB3 ARG 88 HB1 ARG 88 71.723 -18.643 -20.258 648 HG2 ARG 88 HG2 ARG 88 70.280 -17.385 -21.704 649 HG3 ARG 88 HG1 ARG 88 71.652 -16.485 -22.346 650 HD2 ARG 88 HD2 ARG 88 71.265 -19.454 -22.597 651 HD3 ARG 88 HD1 ARG 88 70.892 -18.277 -23.854 652 HE ARG 88 HE ARG 88 73.614 -18.384 -22.782 653 HH11 ARG 88 HH11 ARG 88 71.437 -18.940 -25.519 654 HH12 ARG 88 HH12 ARG 88 72.695 -19.162 -26.638 655 HH21 ARG 88 HH21 ARG 88 75.302 -18.676 -24.291 656 HH22 ARG 88 HH22 ARG 88 74.955 -19.002 -25.928 657 H SER 89 HN SER 89 71.259 -16.112 -17.405 658 HA SER 89 HA SER 89 73.481 -16.916 -15.874 659 HB2 SER 89 HB2 SER 89 70.621 -16.380 -15.049 660 HB3 SER 89 HB1 SER 89 72.033 -16.369 -13.989 661 HG SER 89 HG SER 89 72.808 -14.763 -15.695 662 H HIS 90 HN HIS 90 73.947 -18.839 -15.073 663 HA HIS 90 HA HIS 90 73.966 -21.000 -14.557 664 HB2 HIS 90 HB2 HIS 90 70.941 -20.866 -14.691 665 HB3 HIS 90 HB1 HIS 90 71.836 -22.298 -14.208 666 HD1 HIS 90 HD1 HIS 90 70.204 -19.380 -12.836 667 HD2 HIS 90 HD2 HIS 90 73.452 -21.751 -11.800 668 HE1 HIS 90 HE1 HIS 90 70.595 -18.983 -10.386 669 H HIS 91 HN HIS 91 75.020 -21.925 -16.139 670 HA HIS 91 HA HIS 91 73.712 -22.431 -18.657 671 HB2 HIS 91 HB2 HIS 91 76.162 -21.851 -18.546 672 HB3 HIS 91 HB1 HIS 91 76.447 -23.369 -17.705 673 HD1 HIS 91 HD1 HIS 91 77.540 -24.953 -19.315 674 HD2 HIS 91 HD2 HIS 91 74.647 -22.602 -21.158 675 HE1 HIS 91 HE1 HIS 91 77.510 -25.648 -21.714 676 H HIS 92 HN HIS 92 72.053 -23.560 -17.874 677 HA HIS 92 HA HIS 92 72.453 -26.161 -16.580 678 HB2 HIS 92 HB2 HIS 92 70.909 -24.423 -15.648 679 HB3 HIS 92 HB1 HIS 92 69.953 -24.533 -17.108 680 HD1 HIS 92 HD1 HIS 92 67.885 -25.907 -16.745 681 HD2 HIS 92 HD2 HIS 92 71.042 -27.113 -14.327 682 HE1 HIS 92 HE1 HIS 92 66.955 -27.671 -15.207 683 H HIS 93 HN HIS 93 71.860 -24.746 -19.605 684 HA HIS 93 HA HIS 93 70.904 -27.284 -20.688 685 HB2 HIS 93 HB2 HIS 93 69.998 -24.513 -21.501 686 HB3 HIS 93 HB1 HIS 93 69.590 -25.985 -22.371 687 HD1 HIS 93 HD1 HIS 93 67.577 -27.307 -21.491 688 HD2 HIS 93 HD2 HIS 93 68.796 -24.265 -18.943 689 HE1 HIS 93 HE1 HIS 93 65.835 -27.166 -19.679 690 H HIS 94 HN HIS 94 72.841 -27.961 -21.443 691 HA HIS 94 HA HIS 94 74.512 -26.285 -23.063 692 HB2 HIS 94 HB2 HIS 94 75.444 -28.176 -21.705 693 HB3 HIS 94 HB1 HIS 94 74.524 -29.306 -22.684 694 HD1 HIS 94 HD1 HIS 94 75.498 -29.882 -25.043 695 HD2 HIS 94 HD2 HIS 94 77.742 -27.111 -22.915 696 HE1 HIS 94 HE1 HIS 94 77.683 -29.658 -26.259 697 H HIS 95 HN HIS 95 73.589 -25.627 -24.857 698 HA HIS 95 HA HIS 95 71.920 -27.459 -26.352 699 HB2 HIS 95 HB2 HIS 95 70.981 -25.362 -27.401 700 HB3 HIS 95 HB1 HIS 95 70.655 -25.536 -25.684 701 HD1 HIS 95 HD1 HIS 95 72.119 -23.922 -24.062 702 HD2 HIS 95 HD2 HIS 95 72.298 -23.109 -28.139 703 HE1 HIS 95 HE1 HIS 95 73.097 -21.621 -24.279 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 85.243 16.332 0.890 2 H2 MET 1 HT2 MET 1 83.832 15.435 0.487 3 H3 MET 1 HT3 MET 1 84.165 15.811 2.059 4 HA MET 1 HA MET 1 82.429 17.156 1.176 5 HB2 MET 1 HB2 MET 1 83.197 19.255 2.133 6 HB3 MET 1 HB1 MET 1 83.777 17.918 3.098 7 HG2 MET 1 HG2 MET 1 85.391 19.461 1.087 8 HG3 MET 1 HG1 MET 1 85.451 19.699 2.830 9 HE1 MET 1 HE1 MET 1 88.055 19.407 2.950 10 HE2 MET 1 HE2 MET 1 88.054 19.318 1.193 11 HE3 MET 1 HE3 MET 1 88.928 18.110 2.134 12 H HIS 2 HN HIS 2 84.891 16.733 -1.028 13 HA HIS 2 HA HIS 2 83.475 18.568 -2.783 14 HB2 HIS 2 HB2 HIS 2 85.667 19.084 -3.949 15 HB3 HIS 2 HB1 HIS 2 85.490 19.800 -2.359 16 HD1 HIS 2 HD1 HIS 2 87.526 19.570 -0.951 17 HD2 HIS 2 HD2 HIS 2 87.282 16.573 -3.807 18 HE1 HIS 2 HE1 HIS 2 89.617 18.201 -0.700 19 H THR 3 HN THR 3 83.533 15.657 -2.192 20 HA THR 3 HA THR 3 84.622 14.429 -4.590 21 HB THR 3 HB THR 3 82.955 13.086 -2.478 22 HG1 THR 3 HG1 THR 3 84.329 13.527 -1.038 23 HG21 THR 3 HG21 THR 3 85.382 12.220 -4.063 24 HG22 THR 3 HG22 THR 3 83.709 11.767 -4.400 25 HG23 THR 3 HG23 THR 3 84.493 11.214 -2.917 26 H ASN 4 HN ASN 4 83.108 13.285 -6.056 27 HA ASN 4 HA ASN 4 80.367 14.197 -5.841 28 HB2 ASN 4 HB2 ASN 4 81.302 13.934 -8.152 29 HB3 ASN 4 HB1 ASN 4 81.598 12.230 -7.828 30 HD21 ASN 4 HD21 ASN 4 79.144 14.627 -8.475 31 HD22 ASN 4 HD22 ASN 4 77.876 13.513 -8.808 32 H TRP 5 HN TRP 5 79.909 13.460 -3.902 33 HA TRP 5 HA TRP 5 80.292 10.895 -2.984 34 HB2 TRP 5 HB2 TRP 5 78.575 11.416 -1.257 35 HB3 TRP 5 HB1 TRP 5 79.796 12.657 -1.423 36 HD1 TRP 5 HD1 TRP 5 78.455 14.419 -3.713 37 HE1 TRP 5 HE1 TRP 5 76.351 15.772 -3.164 38 HE3 TRP 5 HE3 TRP 5 76.853 11.809 0.375 39 HZ2 TRP 5 HZ2 TRP 5 74.299 15.762 -1.246 40 HZ3 TRP 5 HZ3 TRP 5 74.811 12.560 1.518 41 HH2 TRP 5 HH2 TRP 5 73.561 14.499 0.726 42 H GLN 6 HN GLN 6 79.694 9.176 -3.477 43 HA GLN 6 HA GLN 6 78.088 8.864 -5.729 44 HB2 GLN 6 HB2 GLN 6 78.665 6.417 -5.406 45 HB3 GLN 6 HB1 GLN 6 79.979 7.544 -5.701 46 HG2 GLN 6 HG2 GLN 6 80.471 7.562 -3.313 47 HG3 GLN 6 HG1 GLN 6 79.209 6.378 -3.021 48 HE21 GLN 6 HE21 GLN 6 79.531 4.268 -3.920 49 HE22 GLN 6 HE22 GLN 6 81.106 3.702 -4.330 50 H VAL 7 HN VAL 7 76.166 8.453 -6.001 51 HA VAL 7 HA VAL 7 74.449 7.767 -3.737 52 HB VAL 7 HB VAL 7 72.610 8.677 -5.040 53 HG11 VAL 7 HG11 VAL 7 74.965 10.535 -5.234 54 HG12 VAL 7 HG12 VAL 7 73.972 10.285 -3.810 55 HG13 VAL 7 HG13 VAL 7 73.263 11.004 -5.255 56 HG21 VAL 7 HG21 VAL 7 72.909 9.651 -7.277 57 HG22 VAL 7 HG22 VAL 7 73.285 7.927 -7.277 58 HG23 VAL 7 HG23 VAL 7 74.589 9.113 -7.287 59 H CYS 8 HN CYS 8 73.033 6.042 -3.913 60 HA CYS 8 HA CYS 8 72.944 4.539 -6.390 61 HB2 CYS 8 HB2 CYS 8 73.697 3.265 -3.730 62 HB3 CYS 8 HB1 CYS 8 73.262 2.357 -5.172 63 HG CYS 8 HG CYS 8 75.525 4.552 -5.784 64 H SER 9 HN SER 9 70.935 4.125 -6.849 65 HA SER 9 HA SER 9 68.924 4.281 -4.808 66 HB2 SER 9 HB2 SER 9 68.401 5.394 -6.870 67 HB3 SER 9 HB1 SER 9 68.743 3.947 -7.836 68 HG SER 9 HG SER 9 66.578 4.069 -7.626 69 H LEU 10 HN LEU 10 67.886 2.639 -4.041 70 HA LEU 10 HA LEU 10 68.780 -0.057 -4.779 71 HB2 LEU 10 HB2 LEU 10 67.824 1.074 -2.178 72 HB3 LEU 10 HB1 LEU 10 68.203 -0.609 -2.462 73 HG LEU 10 HG LEU 10 70.208 1.587 -2.814 74 HD11 LEU 10 HD11 LEU 10 71.034 0.951 -0.566 75 HD12 LEU 10 HD12 LEU 10 69.712 -0.205 -0.411 76 HD13 LEU 10 HD13 LEU 10 69.370 1.525 -0.463 77 HD21 LEU 10 HD21 LEU 10 70.667 -0.528 -3.928 78 HD22 LEU 10 HD22 LEU 10 70.476 -1.377 -2.394 79 HD23 LEU 10 HD23 LEU 10 71.801 -0.235 -2.608 80 H VAL 11 HN VAL 11 67.303 -1.414 -5.373 81 HA VAL 11 HA VAL 11 64.482 -0.766 -5.038 82 HB VAL 11 HB VAL 11 65.901 -2.929 -6.648 83 HG11 VAL 11 HG11 VAL 11 63.714 -3.645 -7.461 84 HG12 VAL 11 HG12 VAL 11 62.918 -2.524 -6.343 85 HG13 VAL 11 HG13 VAL 11 63.861 -3.885 -5.721 86 HG21 VAL 11 HG21 VAL 11 64.902 -1.854 -8.572 87 HG22 VAL 11 HG22 VAL 11 65.878 -0.704 -7.653 88 HG23 VAL 11 HG23 VAL 11 64.118 -0.674 -7.525 89 H VAL 12 HN VAL 12 64.028 -1.192 -3.004 90 HA VAL 12 HA VAL 12 65.043 -3.613 -1.796 91 HB VAL 12 HB VAL 12 63.473 -1.304 -0.602 92 HG11 VAL 12 HG11 VAL 12 64.002 -2.271 1.579 93 HG12 VAL 12 HG12 VAL 12 64.807 -3.625 0.789 94 HG13 VAL 12 HG13 VAL 12 63.066 -3.408 0.603 95 HG21 VAL 12 HG21 VAL 12 66.388 -2.028 -0.361 96 HG22 VAL 12 HG22 VAL 12 65.587 -0.715 0.500 97 HG23 VAL 12 HG23 VAL 12 65.726 -0.661 -1.259 98 H GLN 13 HN GLN 13 63.929 -5.272 -2.371 99 HA GLN 13 HA GLN 13 61.061 -5.164 -2.799 100 HB2 GLN 13 HB2 GLN 13 62.778 -6.587 -4.125 101 HB3 GLN 13 HB1 GLN 13 62.850 -7.592 -2.689 102 HG2 GLN 13 HG2 GLN 13 61.344 -8.628 -4.173 103 HG3 GLN 13 HG1 GLN 13 60.377 -7.909 -2.887 104 HE21 GLN 13 HE21 GLN 13 61.823 -6.135 -5.558 105 HE22 GLN 13 HE22 GLN 13 60.337 -5.711 -6.322 106 H ALA 14 HN ALA 14 59.824 -5.246 -0.978 107 HA ALA 14 HA ALA 14 60.813 -6.866 1.244 108 HB1 ALA 14 HB1 ALA 14 60.245 -5.105 2.801 109 HB2 ALA 14 HB2 ALA 14 59.761 -4.060 1.469 110 HB3 ALA 14 HB3 ALA 14 61.450 -4.545 1.640 111 H LYS 15 HN LYS 15 59.117 -7.058 2.921 112 HA LYS 15 HA LYS 15 56.728 -8.188 2.039 113 HB2 LYS 15 HB2 LYS 15 57.737 -7.181 4.640 114 HB3 LYS 15 HB1 LYS 15 56.006 -7.402 4.500 115 HG2 LYS 15 HG2 LYS 15 57.107 -9.300 5.547 116 HG3 LYS 15 HG1 LYS 15 56.333 -9.763 4.038 117 HD2 LYS 15 HD2 LYS 15 58.474 -9.827 2.950 118 HD3 LYS 15 HD1 LYS 15 59.263 -9.175 4.389 119 HE2 LYS 15 HE2 LYS 15 59.548 -11.624 4.224 120 HE3 LYS 15 HE1 LYS 15 58.660 -11.129 5.663 121 HZ1 LYS 15 HZ1 LYS 15 56.618 -11.808 4.657 122 HZ2 LYS 15 HZ2 LYS 15 57.700 -13.090 4.512 123 HZ3 LYS 15 HZ3 LYS 15 57.359 -12.130 3.176 124 H SER 16 HN SER 16 55.097 -7.218 1.020 125 HA SER 16 HA SER 16 54.698 -4.486 0.784 126 HB2 SER 16 HB2 SER 16 52.429 -5.269 -0.121 127 HB3 SER 16 HB1 SER 16 53.873 -5.908 -0.908 128 HG SER 16 HG SER 16 51.942 -7.163 0.540 129 H GLU 17 HN GLU 17 53.562 -6.728 3.107 130 HA GLU 17 HA GLU 17 51.453 -5.169 4.286 131 HB2 GLU 17 HB2 GLU 17 51.530 -6.897 6.027 132 HB3 GLU 17 HB1 GLU 17 51.464 -7.584 4.405 133 HG2 GLU 17 HG2 GLU 17 53.799 -8.102 4.448 134 HG3 GLU 17 HG1 GLU 17 54.016 -7.224 5.957 135 H ARG 18 HN ARG 18 54.843 -4.977 4.455 136 HA ARG 18 HA ARG 18 54.780 -3.904 7.201 137 HB2 ARG 18 HB2 ARG 18 55.725 -6.216 6.925 138 HB3 ARG 18 HB1 ARG 18 56.949 -5.530 5.882 139 HG2 ARG 18 HG2 ARG 18 57.935 -4.356 7.676 140 HG3 ARG 18 HG1 ARG 18 56.599 -4.750 8.761 141 HD2 ARG 18 HD2 ARG 18 57.136 -7.134 8.531 142 HD3 ARG 18 HD1 ARG 18 58.479 -6.736 7.479 143 HE ARG 18 HE ARG 18 59.243 -5.385 9.533 144 HH11 ARG 18 HH11 ARG 18 57.576 -8.507 9.690 145 HH12 ARG 18 HH12 ARG 18 58.397 -9.031 11.076 146 HH21 ARG 18 HH21 ARG 18 60.370 -6.108 11.411 147 HH22 ARG 18 HH22 ARG 18 60.044 -7.629 12.090 148 H ILE 19 HN ILE 19 54.693 -2.767 4.376 149 HA ILE 19 HA ILE 19 57.171 -1.632 3.726 150 HB ILE 19 HB ILE 19 54.362 -0.891 2.883 151 HG12 ILE 19 HG12 ILE 19 55.188 -3.032 2.111 152 HG13 ILE 19 HG11 ILE 19 55.019 -1.914 0.756 153 HG21 ILE 19 HG21 ILE 19 55.716 1.134 2.742 154 HG22 ILE 19 HG22 ILE 19 55.292 0.526 1.138 155 HG23 ILE 19 HG23 ILE 19 56.912 0.258 1.782 156 HD11 ILE 19 HD11 ILE 19 57.050 -3.237 0.553 157 HD12 ILE 19 HD12 ILE 19 57.589 -2.711 2.135 158 HD13 ILE 19 HD13 ILE 19 57.447 -1.542 0.817 159 H SER 20 HN SER 20 54.414 -0.152 5.430 160 HA SER 20 HA SER 20 55.563 2.366 5.757 161 HB2 SER 20 HB2 SER 20 53.657 0.964 7.639 162 HB3 SER 20 HB1 SER 20 53.870 2.706 7.456 163 HG SER 20 HG SER 20 52.083 2.018 6.308 164 H ASP 21 HN ASP 21 55.877 -0.570 7.639 165 HA ASP 21 HA ASP 21 57.185 0.485 9.918 166 HB2 ASP 21 HB2 ASP 21 57.474 -2.292 8.729 167 HB3 ASP 21 HB1 ASP 21 57.928 -1.822 10.356 168 H ILE 22 HN ILE 22 58.386 -1.162 7.051 169 HA ILE 22 HA ILE 22 61.141 -0.867 7.647 170 HB ILE 22 HB ILE 22 59.771 -1.405 4.988 171 HG12 ILE 22 HG12 ILE 22 60.920 -3.336 7.008 172 HG13 ILE 22 HG11 ILE 22 59.208 -2.987 6.797 173 HG21 ILE 22 HG21 ILE 22 62.624 -1.932 5.836 174 HG22 ILE 22 HG22 ILE 22 62.095 -0.692 4.703 175 HG23 ILE 22 HG23 ILE 22 61.901 -2.396 4.293 176 HD11 ILE 22 HD11 ILE 22 59.791 -5.055 5.715 177 HD12 ILE 22 HD12 ILE 22 61.044 -4.239 4.779 178 HD13 ILE 22 HD13 ILE 22 59.344 -3.849 4.508 179 H SER 23 HN SER 23 58.885 1.176 5.827 180 HA SER 23 HA SER 23 60.783 2.848 4.604 181 HB2 SER 23 HB2 SER 23 57.986 3.555 5.541 182 HB3 SER 23 HB1 SER 23 58.941 4.461 4.369 183 HG SER 23 HG SER 23 58.042 1.770 4.092 184 H THR 24 HN THR 24 59.594 2.798 7.894 185 HA THR 24 HA THR 24 60.476 5.469 8.492 186 HB THR 24 HB THR 24 59.604 3.197 10.311 187 HG1 THR 24 HG1 THR 24 57.820 3.721 9.131 188 HG21 THR 24 HG21 THR 24 60.893 4.927 11.493 189 HG22 THR 24 HG22 THR 24 59.197 4.977 11.978 190 HG23 THR 24 HG23 THR 24 59.830 6.172 10.844 191 H GLN 25 HN GLN 25 61.550 2.211 8.741 192 HA GLN 25 HA GLN 25 63.779 2.607 10.379 193 HB2 GLN 25 HB2 GLN 25 62.553 0.551 8.706 194 HB3 GLN 25 HB1 GLN 25 64.130 0.176 9.305 195 HG2 GLN 25 HG2 GLN 25 63.218 0.568 11.623 196 HG3 GLN 25 HG1 GLN 25 61.651 0.883 10.882 197 HE21 GLN 25 HE21 GLN 25 60.527 -0.778 10.015 198 HE22 GLN 25 HE22 GLN 25 60.860 -2.443 10.371 199 H LEU 26 HN LEU 26 63.326 2.289 6.804 200 HA LEU 26 HA LEU 26 66.024 2.334 6.177 201 HB2 LEU 26 HB2 LEU 26 63.629 3.112 4.480 202 HB3 LEU 26 HB1 LEU 26 65.232 2.857 3.952 203 HG LEU 26 HG LEU 26 63.612 0.713 5.279 204 HD11 LEU 26 HD11 LEU 26 64.074 1.249 2.351 205 HD12 LEU 26 HD12 LEU 26 62.545 1.346 3.221 206 HD13 LEU 26 HD13 LEU 26 63.350 -0.209 3.016 207 HD21 LEU 26 HD21 LEU 26 65.992 0.341 5.466 208 HD22 LEU 26 HD22 LEU 26 66.202 0.644 3.745 209 HD23 LEU 26 HD23 LEU 26 65.309 -0.780 4.285 210 H ASN 27 HN ASN 27 63.725 4.885 6.767 211 HA ASN 27 HA ASN 27 65.505 6.949 5.760 212 HB2 ASN 27 HB2 ASN 27 62.829 6.990 7.067 213 HB3 ASN 27 HB1 ASN 27 63.762 8.483 6.959 214 HD21 ASN 27 HD21 ASN 27 61.719 6.247 5.359 215 HD22 ASN 27 HD22 ASN 27 61.631 7.092 3.860 216 H ALA 28 HN ALA 28 65.683 5.116 8.414 217 HA ALA 28 HA ALA 28 66.246 7.253 10.297 218 HB1 ALA 28 HB1 ALA 28 64.940 5.320 11.048 219 HB2 ALA 28 HB2 ALA 28 66.443 5.499 11.960 220 HB3 ALA 28 HB3 ALA 28 66.319 4.270 10.704 221 H PHE 29 HN PHE 29 68.037 5.519 7.950 222 HA PHE 29 HA PHE 29 70.376 5.539 9.539 223 HB2 PHE 29 HB2 PHE 29 69.938 4.735 6.664 224 HB3 PHE 29 HB1 PHE 29 71.339 4.437 7.665 225 HD1 PHE 29 HD2 PHE 29 70.599 3.239 10.033 226 HD2 PHE 29 HD1 PHE 29 68.624 2.918 6.283 227 HE1 PHE 29 HE2 PHE 29 69.601 1.108 10.748 228 HE2 PHE 29 HE1 PHE 29 67.615 0.784 6.994 229 HZ PHE 29 HZ PHE 29 68.108 -0.124 9.226 230 HA PRO 30 HA PRO 30 71.435 9.579 8.035 231 HB2 PRO 30 HB2 PRO 30 74.271 8.961 8.296 232 HB3 PRO 30 HB1 PRO 30 73.285 10.058 9.265 233 HG2 PRO 30 HG2 PRO 30 74.273 7.713 10.210 234 HG3 PRO 30 HG1 PRO 30 72.760 8.430 10.793 235 HD2 PRO 30 HD2 PRO 30 73.159 6.167 8.866 236 HD3 PRO 30 HD1 PRO 30 71.948 6.400 10.149 237 H GLY 31 HN GLY 31 71.139 9.905 5.900 238 HA2 GLY 31 HA2 GLY 31 72.148 10.422 3.797 239 HA3 GLY 31 HA1 GLY 31 73.346 9.177 4.106 240 H CYS 32 HN CYS 32 70.319 8.095 4.937 241 HA CYS 32 HA CYS 32 69.952 6.742 2.369 242 HB2 CYS 32 HB2 CYS 32 70.859 5.230 3.992 243 HB3 CYS 32 HB1 CYS 32 69.700 5.807 5.195 244 HG CYS 32 HG CYS 32 67.726 4.339 4.533 245 H GLU 33 HN GLU 33 68.042 7.270 1.519 246 HA GLU 33 HA GLU 33 65.828 7.864 3.327 247 HB2 GLU 33 HB2 GLU 33 66.849 10.003 2.757 248 HB3 GLU 33 HB1 GLU 33 66.724 9.622 1.046 249 HG2 GLU 33 HG2 GLU 33 64.305 9.602 1.223 250 HG3 GLU 33 HG1 GLU 33 64.429 9.937 2.932 251 H VAL 34 HN VAL 34 63.879 7.261 2.553 252 HA VAL 34 HA VAL 34 63.837 5.589 0.176 253 HB VAL 34 HB VAL 34 61.524 6.324 1.992 254 HG11 VAL 34 HG11 VAL 34 61.852 4.002 0.098 255 HG12 VAL 34 HG12 VAL 34 60.872 5.434 -0.194 256 HG13 VAL 34 HG13 VAL 34 60.445 4.326 1.116 257 HG21 VAL 34 HG21 VAL 34 63.298 3.897 2.153 258 HG22 VAL 34 HG22 VAL 34 61.898 4.258 3.181 259 HG23 VAL 34 HG23 VAL 34 63.327 5.288 3.229 260 H ALA 35 HN ALA 35 63.086 6.246 -1.710 261 HA ALA 35 HA ALA 35 62.082 8.991 -1.888 262 HB1 ALA 35 HB1 ALA 35 62.664 8.872 -4.270 263 HB2 ALA 35 HB2 ALA 35 63.160 7.190 -4.062 264 HB3 ALA 35 HB3 ALA 35 64.054 8.478 -3.255 265 H VAL 36 HN VAL 36 61.535 5.955 -3.635 266 HA VAL 36 HA VAL 36 58.702 6.684 -3.862 267 HB VAL 36 HB VAL 36 60.336 4.761 -5.558 268 HG11 VAL 36 HG11 VAL 36 58.359 4.681 -7.024 269 HG12 VAL 36 HG12 VAL 36 57.465 5.623 -5.827 270 HG13 VAL 36 HG13 VAL 36 58.050 4.012 -5.422 271 HG21 VAL 36 HG21 VAL 36 60.059 6.400 -7.348 272 HG22 VAL 36 HG22 VAL 36 60.901 7.107 -5.967 273 HG23 VAL 36 HG23 VAL 36 59.197 7.462 -6.241 274 H SER 37 HN SER 37 57.246 5.446 -2.876 275 HA SER 37 HA SER 37 58.061 2.801 -1.922 276 HB2 SER 37 HB2 SER 37 55.925 4.604 -0.760 277 HB3 SER 37 HB1 SER 37 56.590 3.122 -0.064 278 HG SER 37 HG SER 37 58.559 4.830 -0.612 279 H ASP 38 HN ASP 38 57.012 1.232 -3.027 280 HA ASP 38 HA ASP 38 54.330 1.836 -4.093 281 HB2 ASP 38 HB2 ASP 38 56.244 -0.305 -5.085 282 HB3 ASP 38 HB1 ASP 38 54.649 -0.046 -5.682 283 H ALA 39 HN ALA 39 53.236 1.279 -2.295 284 HA ALA 39 HA ALA 39 53.671 -0.961 -0.720 285 HB1 ALA 39 HB1 ALA 39 51.437 -0.663 0.143 286 HB2 ALA 39 HB2 ALA 39 50.998 0.340 -1.238 287 HB3 ALA 39 HB3 ALA 39 52.199 0.911 -0.078 288 HA PRO 40 HA PRO 40 50.323 -3.283 -3.764 289 HB2 PRO 40 HB2 PRO 40 51.187 -2.785 -6.366 290 HB3 PRO 40 HB1 PRO 40 49.764 -2.051 -5.613 291 HG2 PRO 40 HG2 PRO 40 52.579 -1.007 -5.739 292 HG3 PRO 40 HG1 PRO 40 51.114 -0.121 -6.164 293 HD2 PRO 40 HD2 PRO 40 52.113 0.334 -3.844 294 HD3 PRO 40 HD1 PRO 40 50.395 -0.136 -3.862 295 H SER 41 HN SER 41 53.643 -2.588 -4.871 296 HA SER 41 HA SER 41 54.009 -5.424 -5.417 297 HB2 SER 41 HB2 SER 41 55.688 -3.035 -6.145 298 HB3 SER 41 HB1 SER 41 56.040 -4.696 -6.620 299 HG SER 41 HG SER 41 54.819 -4.309 -8.221 300 H GLY 42 HN GLY 42 54.677 -3.208 -2.947 301 HA2 GLY 42 HA2 GLY 42 55.851 -3.507 -1.025 302 HA3 GLY 42 HA1 GLY 42 56.346 -5.097 -1.599 303 H GLN 43 HN GLN 43 56.858 -2.185 -3.496 304 HA GLN 43 HA GLN 43 59.721 -2.754 -3.410 305 HB2 GLN 43 HB2 GLN 43 58.329 -2.548 -5.592 306 HB3 GLN 43 HB1 GLN 43 58.278 -0.849 -5.192 307 HG2 GLN 43 HG2 GLN 43 60.744 -0.773 -5.157 308 HG3 GLN 43 HG1 GLN 43 60.767 -2.446 -5.710 309 HE21 GLN 43 HE21 GLN 43 58.484 0.080 -6.746 310 HE22 GLN 43 HE22 GLN 43 59.023 0.092 -8.352 311 H LEU 44 HN LEU 44 60.980 -1.459 -2.342 312 HA LEU 44 HA LEU 44 60.112 1.280 -1.828 313 HB2 LEU 44 HB2 LEU 44 61.634 -0.659 -0.122 314 HB3 LEU 44 HB1 LEU 44 61.715 1.072 0.168 315 HG LEU 44 HG LEU 44 59.127 -0.471 0.144 316 HD11 LEU 44 HD11 LEU 44 60.878 0.274 2.489 317 HD12 LEU 44 HD12 LEU 44 60.586 -1.363 1.885 318 HD13 LEU 44 HD13 LEU 44 59.260 -0.432 2.583 319 HD21 LEU 44 HD21 LEU 44 58.368 1.514 1.426 320 HD22 LEU 44 HD22 LEU 44 58.887 1.894 -0.211 321 HD23 LEU 44 HD23 LEU 44 59.949 2.237 1.151 322 H ILE 45 HN ILE 45 61.217 2.656 -2.959 323 HA ILE 45 HA ILE 45 63.862 1.954 -3.965 324 HB ILE 45 HB ILE 45 62.037 4.322 -4.478 325 HG12 ILE 45 HG12 ILE 45 61.361 2.219 -5.578 326 HG13 ILE 45 HG11 ILE 45 61.833 3.447 -6.748 327 HG21 ILE 45 HG21 ILE 45 64.760 3.831 -5.671 328 HG22 ILE 45 HG22 ILE 45 64.322 5.127 -4.560 329 HG23 ILE 45 HG23 ILE 45 63.633 5.089 -6.182 330 HD11 ILE 45 HD11 ILE 45 63.483 1.085 -5.851 331 HD12 ILE 45 HD12 ILE 45 64.032 2.351 -6.941 332 HD13 ILE 45 HD13 ILE 45 62.695 1.300 -7.419 333 H VAL 46 HN VAL 46 65.550 2.468 -2.829 334 HA VAL 46 HA VAL 46 65.341 4.675 -0.898 335 HB VAL 46 HB VAL 46 66.959 2.107 -0.662 336 HG11 VAL 46 HG11 VAL 46 68.218 4.004 0.216 337 HG12 VAL 46 HG12 VAL 46 67.672 2.965 1.533 338 HG13 VAL 46 HG13 VAL 46 66.840 4.480 1.200 339 HG21 VAL 46 HG21 VAL 46 64.764 3.138 1.139 340 HG22 VAL 46 HG22 VAL 46 65.627 1.617 1.251 341 HG23 VAL 46 HG23 VAL 46 64.544 1.912 -0.115 342 H VAL 47 HN VAL 47 66.755 6.243 -1.136 343 HA VAL 47 HA VAL 47 68.932 5.813 -3.049 344 HB VAL 47 HB VAL 47 67.730 8.452 -2.154 345 HG11 VAL 47 HG11 VAL 47 68.992 9.405 -4.037 346 HG12 VAL 47 HG12 VAL 47 69.685 7.821 -4.374 347 HG13 VAL 47 HG13 VAL 47 70.059 8.640 -2.860 348 HG21 VAL 47 HG21 VAL 47 66.704 8.571 -4.375 349 HG22 VAL 47 HG22 VAL 47 66.104 7.192 -3.450 350 HG23 VAL 47 HG23 VAL 47 67.289 6.946 -4.729 351 H VAL 48 HN VAL 48 70.716 5.425 -2.086 352 HA VAL 48 HA VAL 48 71.239 6.697 0.496 353 HB VAL 48 HB VAL 48 72.643 4.329 -0.772 354 HG11 VAL 48 HG11 VAL 48 72.797 5.412 2.050 355 HG12 VAL 48 HG12 VAL 48 74.018 5.649 0.809 356 HG13 VAL 48 HG13 VAL 48 73.691 4.025 1.425 357 HG21 VAL 48 HG21 VAL 48 71.508 2.946 0.922 358 HG22 VAL 48 HG22 VAL 48 70.377 3.719 -0.188 359 HG23 VAL 48 HG23 VAL 48 70.591 4.363 1.440 360 H GLU 49 HN GLU 49 72.702 8.228 0.514 361 HA GLU 49 HA GLU 49 74.606 8.391 -1.679 362 HB2 GLU 49 HB2 GLU 49 74.194 10.873 -1.750 363 HB3 GLU 49 HB1 GLU 49 72.839 9.879 -2.278 364 HG2 GLU 49 HG2 GLU 49 71.847 10.179 -0.007 365 HG3 GLU 49 HG1 GLU 49 73.119 11.358 0.314 366 H ALA 50 HN ALA 50 76.626 8.566 -0.967 367 HA ALA 50 HA ALA 50 77.072 9.711 1.664 368 HB1 ALA 50 HB1 ALA 50 76.687 7.333 2.052 369 HB2 ALA 50 HB2 ALA 50 78.344 7.808 2.437 370 HB3 ALA 50 HB3 ALA 50 77.997 6.944 0.938 371 H GLU 51 HN GLU 51 79.015 10.488 2.042 372 HA GLU 51 HA GLU 51 80.610 11.654 0.132 373 HB2 GLU 51 HB2 GLU 51 80.453 12.324 2.465 374 HB3 GLU 51 HB1 GLU 51 81.217 10.832 2.963 375 HG2 GLU 51 HG2 GLU 51 82.811 12.591 3.136 376 HG3 GLU 51 HG1 GLU 51 83.279 11.546 1.805 377 H ASP 52 HN ASP 52 81.530 8.906 2.176 378 HA ASP 52 HA ASP 52 83.739 8.338 0.367 379 HB2 ASP 52 HB2 ASP 52 84.255 8.592 2.760 380 HB3 ASP 52 HB1 ASP 52 83.161 7.274 3.135 381 H SER 53 HN SER 53 84.023 6.356 -0.584 382 HA SER 53 HA SER 53 81.858 4.989 -1.546 383 HB2 SER 53 HB2 SER 53 84.668 3.933 -1.216 384 HB3 SER 53 HB1 SER 53 83.477 3.418 -2.414 385 HG SER 53 HG SER 53 83.509 5.675 -3.138 386 H GLU 54 HN GLU 54 83.793 4.261 1.376 387 HA GLU 54 HA GLU 54 82.603 1.675 1.679 388 HB2 GLU 54 HB2 GLU 54 84.908 2.176 2.422 389 HB3 GLU 54 HB1 GLU 54 84.252 3.266 3.638 390 HG2 GLU 54 HG2 GLU 54 83.141 1.422 4.731 391 HG3 GLU 54 HG1 GLU 54 83.691 0.326 3.467 392 H THR 55 HN THR 55 82.022 4.888 2.872 393 HA THR 55 HA THR 55 80.297 4.289 4.999 394 HB THR 55 HB THR 55 80.171 6.693 3.149 395 HG1 THR 55 HG1 THR 55 81.953 5.884 5.130 396 HG21 THR 55 HG21 THR 55 78.296 6.509 4.753 397 HG22 THR 55 HG22 THR 55 79.350 7.866 5.154 398 HG23 THR 55 HG23 THR 55 79.456 6.365 6.074 399 H LEU 56 HN LEU 56 79.820 4.627 1.538 400 HA LEU 56 HA LEU 56 77.011 4.499 1.442 401 HB2 LEU 56 HB2 LEU 56 78.450 5.154 -0.448 402 HB3 LEU 56 HB1 LEU 56 79.056 3.519 -0.558 403 HG LEU 56 HG LEU 56 76.686 2.792 -1.037 404 HD11 LEU 56 HD11 LEU 56 76.276 5.742 -1.396 405 HD12 LEU 56 HD12 LEU 56 75.529 4.707 -0.178 406 HD13 LEU 56 HD13 LEU 56 75.155 4.471 -1.885 407 HD21 LEU 56 HD21 LEU 56 77.986 4.681 -2.974 408 HD22 LEU 56 HD22 LEU 56 76.794 3.450 -3.377 409 HD23 LEU 56 HD23 LEU 56 78.384 2.976 -2.776 410 H ILE 57 HN ILE 57 79.496 2.014 1.111 411 HA ILE 57 HA ILE 57 77.930 -0.251 0.761 412 HB ILE 57 HB ILE 57 80.620 -0.020 2.150 413 HG12 ILE 57 HG12 ILE 57 79.942 -0.659 -0.734 414 HG13 ILE 57 HG11 ILE 57 80.561 0.882 -0.150 415 HG21 ILE 57 HG21 ILE 57 79.304 -2.459 0.943 416 HG22 ILE 57 HG22 ILE 57 79.552 -2.163 2.664 417 HG23 ILE 57 HG23 ILE 57 80.939 -2.387 1.598 418 HD11 ILE 57 HD11 ILE 57 82.002 -1.757 -0.047 419 HD12 ILE 57 HD12 ILE 57 82.633 -0.213 0.526 420 HD13 ILE 57 HD13 ILE 57 82.308 -0.446 -1.192 421 H GLN 58 HN GLN 58 79.171 1.134 3.770 422 HA GLN 58 HA GLN 58 78.066 -0.785 5.508 423 HB2 GLN 58 HB2 GLN 58 78.927 2.057 6.002 424 HB3 GLN 58 HB1 GLN 58 78.416 0.966 7.287 425 HG2 GLN 58 HG2 GLN 58 80.729 0.473 5.418 426 HG3 GLN 58 HG1 GLN 58 80.861 1.099 7.063 427 HE21 GLN 58 HE21 GLN 58 80.179 -1.713 5.119 428 HE22 GLN 58 HE22 GLN 58 80.257 -2.860 6.388 429 H THR 59 HN THR 59 76.748 2.262 4.305 430 HA THR 59 HA THR 59 74.484 2.178 6.002 431 HB THR 59 HB THR 59 74.773 3.678 3.376 432 HG1 THR 59 HG1 THR 59 76.468 4.327 4.693 433 HG21 THR 59 HG21 THR 59 73.086 4.212 5.833 434 HG22 THR 59 HG22 THR 59 72.476 3.622 4.286 435 HG23 THR 59 HG23 THR 59 73.173 5.241 4.403 436 H ILE 60 HN ILE 60 75.131 0.992 2.727 437 HA ILE 60 HA ILE 60 72.490 0.139 2.142 438 HB ILE 60 HB ILE 60 75.140 -0.926 1.079 439 HG12 ILE 60 HG12 ILE 60 73.187 1.064 -0.123 440 HG13 ILE 60 HG11 ILE 60 74.733 1.463 0.608 441 HG21 ILE 60 HG21 ILE 60 73.379 -2.586 0.743 442 HG22 ILE 60 HG22 ILE 60 73.841 -1.866 -0.799 443 HG23 ILE 60 HG23 ILE 60 72.344 -1.369 -0.003 444 HD11 ILE 60 HD11 ILE 60 74.849 1.482 -1.825 445 HD12 ILE 60 HD12 ILE 60 74.334 -0.206 -1.864 446 HD13 ILE 60 HD13 ILE 60 75.887 0.224 -1.148 447 H GLU 61 HN GLU 61 75.174 -1.325 3.826 448 HA GLU 61 HA GLU 61 74.229 -3.935 4.133 449 HB2 GLU 61 HB2 GLU 61 76.522 -3.254 4.675 450 HB3 GLU 61 HB1 GLU 61 75.928 -2.258 5.990 451 HG2 GLU 61 HG2 GLU 61 75.192 -4.241 7.181 452 HG3 GLU 61 HG1 GLU 61 75.722 -5.251 5.836 453 H SER 62 HN SER 62 73.724 -1.042 6.160 454 HA SER 62 HA SER 62 72.138 -2.089 8.153 455 HB2 SER 62 HB2 SER 62 72.235 0.512 6.761 456 HB3 SER 62 HB1 SER 62 71.188 0.264 8.140 457 HG SER 62 HG SER 62 73.394 -0.606 9.024 458 H VAL 63 HN VAL 63 71.240 -0.837 5.003 459 HA VAL 63 HA VAL 63 68.462 -0.944 5.203 460 HB VAL 63 HB VAL 63 70.377 -1.177 2.942 461 HG11 VAL 63 HG11 VAL 63 68.246 -2.197 2.182 462 HG12 VAL 63 HG12 VAL 63 68.442 -0.633 1.391 463 HG13 VAL 63 HG13 VAL 63 67.352 -0.798 2.770 464 HG21 VAL 63 HG21 VAL 63 68.688 1.108 3.911 465 HG22 VAL 63 HG22 VAL 63 69.686 1.154 2.457 466 HG23 VAL 63 HG23 VAL 63 70.438 0.930 4.037 467 H ARG 64 HN ARG 64 70.803 -3.353 4.189 468 HA ARG 64 HA ARG 64 68.991 -5.410 3.428 469 HB2 ARG 64 HB2 ARG 64 71.836 -5.553 4.402 470 HB3 ARG 64 HB1 ARG 64 70.949 -6.907 3.738 471 HG2 ARG 64 HG2 ARG 64 70.825 -5.774 1.578 472 HG3 ARG 64 HG1 ARG 64 71.660 -4.371 2.262 473 HD2 ARG 64 HD2 ARG 64 73.580 -5.700 2.768 474 HD3 ARG 64 HD1 ARG 64 72.782 -7.163 2.199 475 HE ARG 64 HE ARG 64 72.792 -5.469 0.048 476 HH11 ARG 64 HH11 ARG 64 75.216 -6.894 2.181 477 HH12 ARG 64 HH12 ARG 64 76.467 -6.853 1.035 478 HH21 ARG 64 HH21 ARG 64 74.513 -5.446 -1.565 479 HH22 ARG 64 HH22 ARG 64 76.073 -6.008 -1.122 480 H ASN 65 HN ASN 65 70.219 -4.317 6.471 481 HA ASN 65 HA ASN 65 69.747 -6.743 7.895 482 HB2 ASN 65 HB2 ASN 65 70.570 -3.990 8.770 483 HB3 ASN 65 HB1 ASN 65 70.244 -5.278 9.926 484 HD21 ASN 65 HD21 ASN 65 72.736 -3.880 9.453 485 HD22 ASN 65 HD22 ASN 65 73.864 -5.086 8.983 486 H VAL 66 HN VAL 66 67.635 -4.383 6.849 487 HA VAL 66 HA VAL 66 65.922 -4.459 9.201 488 HB VAL 66 HB VAL 66 65.197 -3.486 6.426 489 HG11 VAL 66 HG11 VAL 66 63.281 -3.986 7.811 490 HG12 VAL 66 HG12 VAL 66 63.430 -2.224 7.670 491 HG13 VAL 66 HG13 VAL 66 63.958 -3.057 9.133 492 HG21 VAL 66 HG21 VAL 66 65.646 -1.215 7.271 493 HG22 VAL 66 HG22 VAL 66 67.100 -2.207 7.265 494 HG23 VAL 66 HG23 VAL 66 66.245 -1.905 8.780 495 H GLU 67 HN GLU 67 64.571 -5.831 9.830 496 HA GLU 67 HA GLU 67 64.247 -8.113 8.297 497 HB2 GLU 67 HB2 GLU 67 62.996 -7.245 10.863 498 HB3 GLU 67 HB1 GLU 67 62.794 -8.818 10.106 499 HG2 GLU 67 HG2 GLU 67 65.302 -8.881 10.040 500 HG3 GLU 67 HG1 GLU 67 65.245 -7.595 11.249 501 H GLY 68 HN GLY 68 63.050 -8.356 6.874 502 HA2 GLY 68 HA2 GLY 68 60.548 -8.546 6.350 503 HA3 GLY 68 HA1 GLY 68 60.572 -6.796 6.580 504 H VAL 69 HN VAL 69 63.474 -7.272 5.448 505 HA VAL 69 HA VAL 69 62.667 -6.623 2.750 506 HB VAL 69 HB VAL 69 65.489 -6.757 3.910 507 HG11 VAL 69 HG11 VAL 69 66.123 -5.468 1.952 508 HG12 VAL 69 HG12 VAL 69 64.487 -5.657 1.311 509 HG13 VAL 69 HG13 VAL 69 65.514 -7.069 1.537 510 HG21 VAL 69 HG21 VAL 69 64.131 -5.027 4.983 511 HG22 VAL 69 HG22 VAL 69 63.699 -4.380 3.399 512 HG23 VAL 69 HG23 VAL 69 65.373 -4.318 3.952 513 H LEU 70 HN LEU 70 62.988 -7.848 0.984 514 HA LEU 70 HA LEU 70 63.532 -10.683 1.478 515 HB2 LEU 70 HB2 LEU 70 62.147 -9.300 -0.810 516 HB3 LEU 70 HB1 LEU 70 62.302 -11.036 -0.611 517 HG LEU 70 HG LEU 70 60.779 -9.216 1.250 518 HD11 LEU 70 HD11 LEU 70 59.736 -9.359 -0.960 519 HD12 LEU 70 HD12 LEU 70 58.780 -10.176 0.275 520 HD13 LEU 70 HD13 LEU 70 59.759 -11.123 -0.852 521 HD21 LEU 70 HD21 LEU 70 61.619 -11.193 2.376 522 HD22 LEU 70 HD22 LEU 70 60.982 -12.224 1.096 523 HD23 LEU 70 HD23 LEU 70 59.875 -11.324 2.137 524 H ALA 71 HN ALA 71 64.250 -7.954 -0.657 525 HA ALA 71 HA ALA 71 66.834 -9.043 -1.268 526 HB1 ALA 71 HB1 ALA 71 66.524 -9.065 -3.690 527 HB2 ALA 71 HB2 ALA 71 64.820 -8.660 -3.484 528 HB3 ALA 71 HB3 ALA 71 65.429 -10.212 -2.913 529 H VAL 72 HN VAL 72 68.156 -7.394 -1.367 530 HA VAL 72 HA VAL 72 67.103 -4.730 -2.070 531 HB VAL 72 HB VAL 72 69.743 -5.437 -0.714 532 HG11 VAL 72 HG11 VAL 72 68.479 -2.740 -1.204 533 HG12 VAL 72 HG12 VAL 72 69.905 -3.397 -2.010 534 HG13 VAL 72 HG13 VAL 72 69.959 -3.029 -0.284 535 HG21 VAL 72 HG21 VAL 72 68.780 -4.451 1.312 536 HG22 VAL 72 HG22 VAL 72 67.841 -5.841 0.774 537 HG23 VAL 72 HG23 VAL 72 67.253 -4.211 0.468 538 H SER 73 HN SER 73 67.338 -4.349 -4.146 539 HA SER 73 HA SER 73 69.630 -5.459 -5.587 540 HB2 SER 73 HB2 SER 73 66.934 -4.485 -6.492 541 HB3 SER 73 HB1 SER 73 68.157 -5.063 -7.612 542 HG SER 73 HG SER 73 67.675 -6.758 -5.519 543 H LEU 74 HN LEU 74 70.853 -4.122 -6.922 544 HA LEU 74 HA LEU 74 70.833 -1.305 -6.185 545 HB2 LEU 74 HB2 LEU 74 72.898 -3.157 -7.310 546 HB3 LEU 74 HB1 LEU 74 73.084 -1.427 -7.480 547 HG LEU 74 HG LEU 74 72.695 -2.685 -4.763 548 HD11 LEU 74 HD11 LEU 74 74.675 -3.722 -5.857 549 HD12 LEU 74 HD12 LEU 74 75.115 -2.641 -4.525 550 HD13 LEU 74 HD13 LEU 74 75.287 -2.095 -6.188 551 HD21 LEU 74 HD21 LEU 74 73.981 -0.136 -5.709 552 HD22 LEU 74 HD22 LEU 74 73.770 -0.648 -4.029 553 HD23 LEU 74 HD23 LEU 74 72.368 -0.268 -5.021 554 H VAL 75 HN VAL 75 69.843 0.045 -7.449 555 HA VAL 75 HA VAL 75 69.097 -0.444 -10.169 556 HB VAL 75 HB VAL 75 69.213 2.051 -8.469 557 HG11 VAL 75 HG11 VAL 75 69.339 2.677 -10.866 558 HG12 VAL 75 HG12 VAL 75 67.760 3.111 -10.209 559 HG13 VAL 75 HG13 VAL 75 67.937 1.667 -11.207 560 HG21 VAL 75 HG21 VAL 75 67.624 0.443 -7.709 561 HG22 VAL 75 HG22 VAL 75 66.919 0.311 -9.320 562 HG23 VAL 75 HG23 VAL 75 66.765 1.819 -8.409 563 H TYR 76 HN TYR 76 71.503 1.412 -8.587 564 HA TYR 76 HA TYR 76 73.181 1.096 -10.919 565 HB2 TYR 76 HB2 TYR 76 72.406 3.429 -10.893 566 HB3 TYR 76 HB1 TYR 76 72.975 3.612 -9.234 567 HD1 TYR 76 HD1 TYR 76 74.202 2.883 -12.686 568 HD2 TYR 76 HD2 TYR 76 75.209 4.247 -8.784 569 HE1 TYR 76 HE1 TYR 76 76.456 3.481 -13.475 570 HE2 TYR 76 HE2 TYR 76 77.462 4.846 -9.572 571 HH TYR 76 HH TYR 76 78.990 4.126 -11.380 572 H HIS 77 HN HIS 77 74.947 0.137 -10.346 573 HA HIS 77 HA HIS 77 75.341 -0.240 -7.496 574 HB2 HIS 77 HB2 HIS 77 76.603 -2.286 -8.068 575 HB3 HIS 77 HB1 HIS 77 74.963 -2.327 -8.684 576 HD1 HIS 77 HD1 HIS 77 78.019 -3.612 -9.684 577 HD2 HIS 77 HD2 HIS 77 75.277 -1.132 -11.622 578 HE1 HIS 77 HE1 HIS 77 78.398 -3.920 -12.137 579 H GLN 78 HN GLN 78 77.513 -0.543 -6.779 580 HA GLN 78 HA GLN 78 79.242 1.590 -7.316 581 HB2 GLN 78 HB2 GLN 78 80.868 0.137 -5.997 582 HB3 GLN 78 HB1 GLN 78 79.361 0.538 -5.182 583 HG2 GLN 78 HG2 GLN 78 78.469 -1.659 -5.669 584 HG3 GLN 78 HG1 GLN 78 79.884 -2.051 -6.633 585 HE21 GLN 78 HE21 GLN 78 80.238 -3.860 -5.359 586 HE22 GLN 78 HE22 GLN 78 80.883 -3.756 -3.764 587 H GLN 79 HN GLN 79 81.285 1.539 -8.365 588 HA GLN 79 HA GLN 79 81.288 -0.110 -10.701 589 HB2 GLN 79 HB2 GLN 79 83.381 1.830 -9.701 590 HB3 GLN 79 HB1 GLN 79 83.370 1.073 -11.288 591 HG2 GLN 79 HG2 GLN 79 81.349 2.186 -11.886 592 HG3 GLN 79 HG1 GLN 79 81.166 2.846 -10.266 593 HE21 GLN 79 HE21 GLN 79 84.190 2.649 -12.024 594 HE22 GLN 79 HE22 GLN 79 84.384 4.348 -12.214 595 H GLU 80 HN GLU 80 81.662 -2.115 -10.428 596 HA GLU 80 HA GLU 80 83.608 -3.077 -8.494 597 HB2 GLU 80 HB2 GLU 80 81.527 -4.523 -10.138 598 HB3 GLU 80 HB1 GLU 80 82.506 -5.244 -8.865 599 HG2 GLU 80 HG2 GLU 80 81.482 -3.807 -7.214 600 HG3 GLU 80 HG1 GLU 80 80.565 -2.983 -8.473 601 H GLU 81 HN GLU 81 84.846 -5.069 -9.306 602 HA GLU 81 HA GLU 81 86.294 -4.202 -11.602 603 HB2 GLU 81 HB2 GLU 81 87.407 -5.182 -9.611 604 HB3 GLU 81 HB1 GLU 81 86.652 -6.724 -9.982 605 HG2 GLU 81 HG2 GLU 81 87.865 -6.853 -12.072 606 HG3 GLU 81 HG1 GLU 81 88.572 -5.265 -11.784 607 H GLN 82 HN GLN 82 84.424 -7.038 -10.747 608 HA GLN 82 HA GLN 82 83.292 -8.595 -11.933 609 HB2 GLN 82 HB2 GLN 82 83.260 -6.391 -13.987 610 HB3 GLN 82 HB1 GLN 82 82.331 -7.872 -14.147 611 HG2 GLN 82 HG2 GLN 82 81.038 -7.340 -12.185 612 HG3 GLN 82 HG1 GLN 82 82.058 -5.946 -11.850 613 HE21 GLN 82 HE21 GLN 82 82.221 -5.024 -14.566 614 HE22 GLN 82 HE22 GLN 82 80.674 -4.400 -14.978 615 H GLY 83 HN GLY 83 83.242 -9.566 -14.407 616 HA2 GLY 83 HA2 GLY 83 85.988 -10.453 -14.794 617 HA3 GLY 83 HA1 GLY 83 84.536 -11.226 -15.428 618 H GLU 84 HN GLU 84 85.847 -11.216 -17.447 619 HA GLU 84 HA GLU 84 86.231 -8.645 -18.657 620 HB2 GLU 84 HB2 GLU 84 87.017 -9.870 -20.645 621 HB3 GLU 84 HB1 GLU 84 87.817 -10.433 -19.189 622 HG2 GLU 84 HG2 GLU 84 86.416 -12.404 -19.148 623 HG3 GLU 84 HG1 GLU 84 85.513 -11.813 -20.542 624 H GLU 85 HN GLU 85 83.906 -11.230 -18.828 625 HA GLU 85 HA GLU 85 82.403 -10.044 -20.983 626 HB2 GLU 85 HB2 GLU 85 81.938 -12.411 -19.179 627 HB3 GLU 85 HB1 GLU 85 80.762 -11.878 -20.366 628 HG2 GLU 85 HG2 GLU 85 83.579 -12.717 -20.999 629 HG3 GLU 85 HG1 GLU 85 82.162 -13.759 -21.130 630 H THR 86 HN THR 86 80.457 -8.989 -20.776 631 HA THR 86 HA THR 86 79.506 -8.525 -18.086 632 HB THR 86 HB THR 86 79.005 -6.102 -18.857 633 HG1 THR 86 HG1 THR 86 80.986 -6.918 -20.718 634 HG21 THR 86 HG21 THR 86 81.850 -6.957 -18.277 635 HG22 THR 86 HG22 THR 86 80.605 -6.623 -17.075 636 HG23 THR 86 HG23 THR 86 81.223 -5.322 -18.085 637 HA PRO 87 HA PRO 87 76.003 -9.832 -20.546 638 HB2 PRO 87 HB2 PRO 87 74.533 -10.775 -18.529 639 HB3 PRO 87 HB1 PRO 87 75.941 -11.658 -19.134 640 HG2 PRO 87 HG2 PRO 87 75.676 -9.942 -16.699 641 HG3 PRO 87 HG1 PRO 87 76.534 -11.478 -16.893 642 HD2 PRO 87 HD2 PRO 87 77.738 -9.008 -16.938 643 HD3 PRO 87 HD1 PRO 87 78.406 -10.456 -17.725 644 H ARG 88 HN ARG 88 73.744 -9.396 -20.561 645 HA ARG 88 HA ARG 88 73.017 -6.728 -19.623 646 HB2 ARG 88 HB2 ARG 88 71.428 -8.782 -21.234 647 HB3 ARG 88 HB1 ARG 88 71.019 -7.081 -21.052 648 HG2 ARG 88 HG2 ARG 88 72.906 -6.406 -22.353 649 HG3 ARG 88 HG1 ARG 88 73.574 -8.034 -22.326 650 HD2 ARG 88 HD2 ARG 88 72.613 -7.664 -24.491 651 HD3 ARG 88 HD1 ARG 88 71.589 -8.794 -23.614 652 HE ARG 88 HE ARG 88 70.780 -6.034 -23.446 653 HH11 ARG 88 HH11 ARG 88 70.422 -9.085 -25.188 654 HH12 ARG 88 HH12 ARG 88 68.969 -8.671 -25.947 655 HH21 ARG 88 HH21 ARG 88 68.835 -5.417 -24.489 656 HH22 ARG 88 HH22 ARG 88 68.030 -6.471 -25.565 657 H SER 89 HN SER 89 71.244 -9.781 -19.712 658 HA SER 89 HA SER 89 70.905 -9.666 -16.804 659 HB2 SER 89 HB2 SER 89 69.352 -11.280 -18.864 660 HB3 SER 89 HB1 SER 89 68.980 -11.137 -17.145 661 HG SER 89 HG SER 89 67.761 -9.607 -17.759 662 H HIS 90 HN HIS 90 71.599 -11.577 -19.675 663 HA HIS 90 HA HIS 90 73.932 -12.727 -18.933 664 HB2 HIS 90 HB2 HIS 90 72.290 -14.121 -17.416 665 HB3 HIS 90 HB1 HIS 90 71.622 -14.721 -18.930 666 HD1 HIS 90 HD1 HIS 90 72.499 -17.046 -19.281 667 HD2 HIS 90 HD2 HIS 90 75.368 -14.484 -17.708 668 HE1 HIS 90 HE1 HIS 90 74.647 -18.361 -19.192 669 H HIS 91 HN HIS 91 73.329 -15.055 -20.738 670 HA HIS 91 HA HIS 91 73.208 -13.706 -23.241 671 HB2 HIS 91 HB2 HIS 91 74.373 -15.884 -22.940 672 HB3 HIS 91 HB1 HIS 91 72.852 -16.645 -22.524 673 HD1 HIS 91 HD1 HIS 91 74.834 -15.422 -25.522 674 HD2 HIS 91 HD2 HIS 91 71.251 -17.359 -24.676 675 HE1 HIS 91 HE1 HIS 91 74.057 -16.423 -27.673 676 H HIS 92 HN HIS 92 71.415 -12.576 -23.613 677 HA HIS 92 HA HIS 92 69.325 -11.969 -24.045 678 HB2 HIS 92 HB2 HIS 92 68.689 -14.927 -23.797 679 HB3 HIS 92 HB1 HIS 92 67.443 -13.727 -24.111 680 HD1 HIS 92 HD1 HIS 92 66.938 -13.424 -26.559 681 HD2 HIS 92 HD2 HIS 92 70.801 -14.847 -25.902 682 HE1 HIS 92 HE1 HIS 92 67.936 -13.803 -28.818 683 H HIS 93 HN HIS 93 67.040 -11.983 -22.908 684 HA HIS 93 HA HIS 93 67.677 -11.678 -20.022 685 HB2 HIS 93 HB2 HIS 93 65.049 -10.904 -21.361 686 HB3 HIS 93 HB1 HIS 93 65.657 -10.376 -19.806 687 HD1 HIS 93 HD1 HIS 93 67.310 -8.300 -19.840 688 HD2 HIS 93 HD2 HIS 93 65.996 -9.592 -23.572 689 HE1 HIS 93 HE1 HIS 93 67.892 -6.487 -21.446 690 H HIS 94 HN HIS 94 64.927 -12.547 -21.869 691 HA HIS 94 HA HIS 94 64.765 -15.268 -21.149 692 HB2 HIS 94 HB2 HIS 94 63.707 -14.179 -19.137 693 HB3 HIS 94 HB1 HIS 94 62.640 -13.277 -20.198 694 HD1 HIS 94 HD1 HIS 94 63.346 -16.960 -19.362 695 HD2 HIS 94 HD2 HIS 94 60.258 -14.444 -20.562 696 HE1 HIS 94 HE1 HIS 94 61.260 -18.360 -19.371 697 H HIS 95 HN HIS 95 65.080 -13.070 -23.220 698 HA HIS 95 HA HIS 95 63.322 -13.816 -25.248 699 HB2 HIS 95 HB2 HIS 95 63.418 -10.898 -24.329 700 HB3 HIS 95 HB1 HIS 95 62.482 -11.552 -25.661 701 HD1 HIS 95 HD1 HIS 95 60.295 -13.010 -24.893 702 HD2 HIS 95 HD2 HIS 95 62.168 -10.741 -21.956 703 HE1 HIS 95 HE1 HIS 95 58.681 -12.877 -22.968
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