NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562281 | 2ltf | 18475 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.421 -0.269 -2.044 3 HB2 MET 1 2HB MET 1 1.987 2.131 -1.111 4 HB3 MET 1 3HB MET 1 3.619 1.481 -1.023 5 HG2 MET 1 2HG MET 1 2.001 1.327 -3.539 6 HG3 MET 1 3HG MET 1 2.944 2.757 -3.125 7 HE1 MET 1 3HE MET 1 2.559 -0.207 -4.788 8 HE2 MET 1 1HE MET 1 3.814 0.316 -5.912 9 HE3 MET 1 2HE MET 1 4.071 -1.109 -4.905 10 H LYS 2 H LYS 2 1.991 -2.467 -1.810 11 HA LYS 2 HA LYS 2 4.823 -2.932 -1.140 12 HB2 LYS 2 2HB LYS 2 4.194 -5.248 -0.612 13 HB3 LYS 2 3HB LYS 2 3.320 -4.095 0.389 14 HG2 LYS 2 2HG LYS 2 1.406 -4.316 -1.240 15 HG3 LYS 2 3HG LYS 2 2.283 -5.676 -1.946 16 HD2 LYS 2 2HD LYS 2 0.800 -6.648 -0.405 17 HD3 LYS 2 3HD LYS 2 2.362 -6.634 0.418 18 HE2 LYS 2 2HE LYS 2 0.702 -5.907 1.975 19 HE3 LYS 2 3HE LYS 2 1.675 -4.507 1.527 20 HZ1 LYS 2 3HZ LYS 2 -0.394 -4.561 -0.279 21 HZ2 LYS 2 1HZ LYS 2 -0.224 -3.505 1.032 22 HZ3 LYS 2 2HZ LYS 2 -1.117 -4.930 1.206 23 H THR 3 H THR 3 6.016 -4.373 -2.452 24 HA THR 3 HA THR 3 4.804 -5.049 -5.043 25 HB THR 3 HB THR 3 6.046 -3.035 -5.482 26 HG1 THR 3 HG1 THR 3 7.869 -4.127 -6.767 27 HG21 THR 3 3HG2 THR 3 7.755 -3.976 -3.449 28 HG22 THR 3 1HG2 THR 3 7.868 -2.457 -4.337 29 HG23 THR 3 2HG2 THR 3 8.726 -3.884 -4.918 30 H PHE 4 H PHE 4 5.729 -6.832 -6.120 31 HA PHE 4 HA PHE 4 6.799 -8.824 -4.358 32 HB2 PHE 4 2HB PHE 4 6.546 -9.044 -7.356 33 HB3 PHE 4 3HB PHE 4 6.543 -10.346 -6.171 34 HD1 PHE 4 HD1 PHE 4 4.628 -9.675 -4.217 35 HD2 PHE 4 HD2 PHE 4 4.516 -8.865 -8.394 36 HE1 PHE 4 HE1 PHE 4 2.171 -9.591 -4.131 37 HE2 PHE 4 HE2 PHE 4 2.059 -8.779 -8.315 38 HZ PHE 4 HZ PHE 4 0.883 -9.141 -6.182 39 H ALA 5 H ALA 5 8.868 -8.857 -3.798 40 HA ALA 5 HA ALA 5 10.932 -7.527 -5.182 41 HB1 ALA 5 1HB ALA 5 11.546 -9.799 -3.353 42 HB2 ALA 5 2HB ALA 5 12.329 -8.225 -3.500 43 HB3 ALA 5 3HB ALA 5 10.762 -8.359 -2.703 44 H LEU 6 H LEU 6 12.711 -8.369 -6.343 45 HA LEU 6 HA LEU 6 12.586 -11.124 -7.264 46 HB2 LEU 6 2HB LEU 6 12.476 -8.793 -9.172 47 HB3 LEU 6 3HB LEU 6 12.664 -10.485 -9.627 48 HG LEU 6 HG LEU 6 10.240 -9.439 -8.178 49 HD11 LEU 6 1HD1 LEU 6 9.175 -9.616 -10.477 50 HD12 LEU 6 2HD1 LEU 6 10.816 -9.596 -11.122 51 HD13 LEU 6 3HD1 LEU 6 10.219 -8.224 -10.188 52 HD21 LEU 6 3HD2 LEU 6 9.879 -11.634 -7.987 53 HD22 LEU 6 1HD2 LEU 6 11.160 -12.033 -9.132 54 HD23 LEU 6 2HD2 LEU 6 9.553 -11.610 -9.721 55 H GLN 7 H GLN 7 14.433 -11.256 -9.133 56 HA GLN 7 HA GLN 7 16.860 -11.088 -7.837 57 HB2 GLN 7 2HB GLN 7 16.128 -12.231 -10.102 58 HB3 GLN 7 3HB GLN 7 16.800 -10.766 -10.807 59 HG2 GLN 7 2HG GLN 7 18.827 -11.385 -9.217 60 HG3 GLN 7 3HG GLN 7 18.154 -13.002 -9.417 61 HE21 GLN 7 1HE2 GLN 7 17.779 -13.703 -11.665 62 HE22 GLN 7 2HE2 GLN 7 18.914 -13.212 -12.871 63 H GLY 8 H GLY 8 18.127 -9.456 -7.259 64 HA2 GLY 8 2HA GLY 8 19.106 -7.381 -7.183 65 HA3 GLY 8 3HA GLY 8 18.793 -7.277 -8.909 66 H ASP 9 H ASP 9 16.139 -7.759 -6.742 67 HA ASP 9 HA ASP 9 15.410 -4.917 -7.005 68 HB2 ASP 9 2HB ASP 9 13.788 -7.370 -7.580 69 HB3 ASP 9 3HB ASP 9 12.982 -5.909 -7.019 70 H THR 10 H THR 10 16.655 -6.505 -4.812 71 HA THR 10 HA THR 10 14.698 -6.862 -2.768 72 HB THR 10 HB THR 10 16.474 -7.357 -1.301 73 HG1 THR 10 HG1 THR 10 18.185 -6.127 -1.306 74 HG21 THR 10 3HG2 THR 10 16.215 -8.899 -3.280 75 HG22 THR 10 1HG2 THR 10 17.785 -8.960 -2.480 76 HG23 THR 10 2HG2 THR 10 17.603 -8.085 -4.000 77 H LEU 11 H LEU 11 15.247 -5.689 -0.554 78 HA LEU 11 HA LEU 11 14.280 -3.122 -0.676 79 HB2 LEU 11 2HB LEU 11 16.132 -4.266 1.409 80 HB3 LEU 11 3HB LEU 11 15.137 -2.825 1.606 81 HG LEU 11 HG LEU 11 14.183 -5.672 1.325 82 HD11 LEU 11 1HD1 LEU 11 13.802 -3.725 3.588 83 HD12 LEU 11 2HD1 LEU 11 15.100 -4.917 3.534 84 HD13 LEU 11 3HD1 LEU 11 13.418 -5.446 3.563 85 HD21 LEU 11 3HD2 LEU 11 12.383 -4.747 0.359 86 HD22 LEU 11 1HD2 LEU 11 12.822 -3.116 0.868 87 HD23 LEU 11 2HD2 LEU 11 11.995 -4.197 1.990 88 H ASP 12 H ASP 12 17.656 -4.173 -0.671 89 HA ASP 12 HA ASP 12 18.934 -1.736 -0.419 90 HB2 ASP 12 2HB ASP 12 20.321 -3.629 -0.390 91 HB3 ASP 12 3HB ASP 12 19.655 -4.253 -1.896 92 H ALA 13 H ALA 13 17.464 -3.191 -3.269 93 HA ALA 13 HA ALA 13 18.327 -1.003 -4.973 94 HB1 ALA 13 1HB ALA 13 18.343 -2.822 -6.309 95 HB2 ALA 13 2HB ALA 13 17.092 -3.650 -5.380 96 HB3 ALA 13 3HB ALA 13 16.647 -2.397 -6.539 97 H ILE 14 H ILE 14 15.205 -2.410 -3.972 98 HA ILE 14 HA ILE 14 13.493 -0.579 -5.093 99 HB ILE 14 HB ILE 14 13.196 -1.896 -2.391 100 HG12 ILE 14 2HG1 ILE 14 12.108 -2.753 -5.079 101 HG13 ILE 14 3HG1 ILE 14 13.562 -3.423 -4.348 102 HG21 ILE 14 1HG2 ILE 14 11.124 -0.644 -4.190 103 HG22 ILE 14 2HG2 ILE 14 10.787 -1.548 -2.714 104 HG23 ILE 14 3HG2 ILE 14 11.668 -0.023 -2.631 105 HD11 ILE 14 3HD1 ILE 14 10.804 -3.541 -3.152 106 HD12 ILE 14 1HD1 ILE 14 11.605 -4.851 -4.019 107 HD13 ILE 14 2HD1 ILE 14 12.266 -4.271 -2.490 108 H CYS 15 H CYS 15 15.009 -0.380 -1.879 109 HA CYS 15 HA CYS 15 13.897 1.993 -1.008 110 HB2 CYS 15 2HB CYS 15 16.592 0.745 -0.515 111 HB3 CYS 15 3HB CYS 15 16.134 2.265 0.245 112 HG CYS 15 HG CYS 15 13.671 0.233 0.777 113 H VAL 16 H VAL 16 16.549 1.476 -3.249 114 HA VAL 16 HA VAL 16 17.164 4.306 -3.407 115 HB VAL 16 HB VAL 16 18.227 2.007 -5.056 116 HG11 VAL 16 1HG1 VAL 16 18.946 3.667 -6.378 117 HG12 VAL 16 2HG1 VAL 16 18.613 4.905 -5.165 118 HG13 VAL 16 3HG1 VAL 16 20.114 3.982 -5.095 119 HG21 VAL 16 3HG2 VAL 16 18.672 2.572 -2.369 120 HG22 VAL 16 1HG2 VAL 16 19.648 1.535 -3.408 121 HG23 VAL 16 2HG2 VAL 16 20.078 3.233 -3.203 122 H ARG 17 H ARG 17 15.121 2.043 -4.980 123 HA ARG 17 HA ARG 17 14.890 3.575 -7.428 124 HB2 ARG 17 2HB ARG 17 13.409 1.142 -6.417 125 HB3 ARG 17 3HB ARG 17 13.127 1.885 -7.985 126 HG2 ARG 17 2HG ARG 17 15.800 1.524 -8.089 127 HG3 ARG 17 3HG ARG 17 15.322 0.161 -7.075 128 HD2 ARG 17 2HD ARG 17 13.960 -0.751 -8.736 129 HD3 ARG 17 3HD ARG 17 13.879 0.767 -9.630 130 HE ARG 17 HE ARG 17 16.505 0.120 -9.735 131 HH11 ARG 17 1HH1 ARG 17 13.576 -1.598 -10.502 132 HH12 ARG 17 2HH1 ARG 17 14.309 -2.555 -11.746 133 HH21 ARG 17 1HH2 ARG 17 17.481 -1.135 -11.371 134 HH22 ARG 17 2HH2 ARG 17 16.530 -2.292 -12.239 135 H TYR 18 H TYR 18 13.396 3.453 -4.343 136 HA TYR 18 HA TYR 18 11.110 5.027 -5.318 137 HB2 TYR 18 2HB TYR 18 11.498 3.261 -2.921 138 HB3 TYR 18 3HB TYR 18 10.258 4.511 -2.910 139 HD1 TYR 18 HD1 TYR 18 11.418 1.507 -4.760 140 HD2 TYR 18 HD2 TYR 18 8.183 4.150 -3.950 141 HE1 TYR 18 HE1 TYR 18 9.889 -0.009 -5.949 142 HE2 TYR 18 HE2 TYR 18 6.646 2.641 -5.136 143 HH TYR 18 HH TYR 18 7.775 -0.437 -6.495 144 H TYR 19 H TYR 19 13.107 4.842 -2.365 145 HA TYR 19 HA TYR 19 12.702 7.662 -1.868 146 HB2 TYR 19 2HB TYR 19 14.548 5.843 -0.333 147 HB3 TYR 19 3HB TYR 19 13.737 7.300 0.229 148 HD1 TYR 19 HD1 TYR 19 11.221 7.246 0.517 149 HD2 TYR 19 HD2 TYR 19 13.539 3.730 -0.092 150 HE1 TYR 19 HE1 TYR 19 9.377 5.883 1.406 151 HE2 TYR 19 HE2 TYR 19 11.701 2.358 0.795 152 HH TYR 19 HH TYR 19 9.576 2.345 1.479 153 H GLY 20 H GLY 20 15.287 5.533 -2.947 154 HA2 GLY 20 2HA GLY 20 17.054 6.198 -4.353 155 HA3 GLY 20 3HA GLY 20 16.749 7.871 -3.908 156 H ARG 21 H ARG 21 16.915 5.565 -1.359 157 HA ARG 21 HA ARG 21 19.729 5.739 -0.901 158 HB2 ARG 21 2HB ARG 21 19.658 7.083 1.139 159 HB3 ARG 21 3HB ARG 21 19.095 8.014 -0.243 160 HG2 ARG 21 2HG ARG 21 17.066 6.599 1.396 161 HG3 ARG 21 3HG ARG 21 17.829 8.040 2.072 162 HD2 ARG 21 2HD ARG 21 17.262 8.980 -0.356 163 HD3 ARG 21 3HD ARG 21 15.995 7.759 -0.241 164 HE ARG 21 HE ARG 21 15.774 9.082 2.101 165 HH11 ARG 21 1HH1 ARG 21 15.905 10.127 -1.217 166 HH12 ARG 21 2HH1 ARG 21 14.923 11.529 -0.950 167 HH21 ARG 21 1HH2 ARG 21 14.480 10.924 2.465 168 HH22 ARG 21 2HH2 ARG 21 14.113 11.982 1.145 169 H THR 22 H THR 22 20.353 4.710 1.165 170 HA THR 22 HA THR 22 18.308 2.771 2.034 171 HB THR 22 HB THR 22 20.631 1.545 2.712 172 HG1 THR 22 HG1 THR 22 22.212 2.408 1.614 173 HG21 THR 22 3HG2 THR 22 18.562 0.867 1.242 174 HG22 THR 22 1HG2 THR 22 20.081 -0.018 1.110 175 HG23 THR 22 2HG2 THR 22 19.664 1.203 -0.092 176 H GLU 23 H GLU 23 20.750 5.045 3.001 177 HA GLU 23 HA GLU 23 20.880 4.259 5.741 178 HB2 GLU 23 2HB GLU 23 22.552 5.682 4.347 179 HB3 GLU 23 3HB GLU 23 21.507 7.030 4.772 180 HG2 GLU 23 2HG GLU 23 23.210 7.042 6.371 181 HG3 GLU 23 3HG GLU 23 21.819 6.329 7.185 182 H GLY 24 H GLY 24 19.191 4.379 7.065 183 HA2 GLY 24 2HA GLY 24 17.762 5.700 8.439 184 HA3 GLY 24 3HA GLY 24 17.669 6.889 7.148 185 H VAL 25 H VAL 25 17.280 4.453 5.286 186 HA VAL 25 HA VAL 25 14.371 4.355 5.648 187 HB VAL 25 HB VAL 25 15.943 3.512 3.214 188 HG11 VAL 25 1HG1 VAL 25 13.264 4.453 2.755 189 HG12 VAL 25 2HG1 VAL 25 13.990 2.896 2.349 190 HG13 VAL 25 3HG1 VAL 25 13.265 3.146 3.938 191 HG21 VAL 25 3HG2 VAL 25 15.126 6.181 4.163 192 HG22 VAL 25 1HG2 VAL 25 16.428 5.712 3.070 193 HG23 VAL 25 2HG2 VAL 25 14.772 5.825 2.473 194 H VAL 26 H VAL 26 17.183 2.274 5.134 195 HA VAL 26 HA VAL 26 15.952 -0.189 4.901 196 HB VAL 26 HB VAL 26 18.013 -1.168 5.866 197 HG11 VAL 26 1HG1 VAL 26 18.150 0.950 3.759 198 HG12 VAL 26 2HG1 VAL 26 19.603 0.064 4.227 199 HG13 VAL 26 3HG1 VAL 26 18.206 -0.804 3.588 200 HG21 VAL 26 3HG2 VAL 26 19.657 1.104 6.090 201 HG22 VAL 26 1HG2 VAL 26 18.217 1.427 7.055 202 HG23 VAL 26 2HG2 VAL 26 19.181 -0.017 7.365 203 H GLU 27 H GLU 27 16.367 1.810 7.721 204 HA GLU 27 HA GLU 27 15.783 -0.246 9.628 205 HB2 GLU 27 2HB GLU 27 15.938 2.756 9.784 206 HB3 GLU 27 3HB GLU 27 15.420 1.786 11.156 207 HG2 GLU 27 2HG GLU 27 17.527 0.663 11.245 208 HG3 GLU 27 3HG GLU 27 18.047 1.420 9.741 209 H THR 28 H THR 28 13.933 2.144 7.857 210 HA THR 28 HA THR 28 11.534 1.919 9.350 211 HB THR 28 HB THR 28 11.468 2.597 6.439 212 HG1 THR 28 HG1 THR 28 12.142 4.786 7.206 213 HG21 THR 28 3HG2 THR 28 9.933 3.182 8.880 214 HG22 THR 28 1HG2 THR 28 9.399 3.076 7.203 215 HG23 THR 28 2HG2 THR 28 10.160 4.553 7.795 216 H VAL 29 H VAL 29 12.391 0.600 6.144 217 HA VAL 29 HA VAL 29 10.126 -0.963 5.771 218 HB VAL 29 HB VAL 29 12.923 -1.595 4.820 219 HG11 VAL 29 1HG1 VAL 29 11.887 -3.492 4.183 220 HG12 VAL 29 2HG1 VAL 29 10.277 -2.780 4.307 221 HG13 VAL 29 3HG1 VAL 29 11.268 -2.478 2.880 222 HG21 VAL 29 3HG2 VAL 29 12.743 0.313 3.675 223 HG22 VAL 29 1HG2 VAL 29 11.503 -0.499 2.720 224 HG23 VAL 29 2HG2 VAL 29 11.041 0.498 4.099 225 H LEU 30 H LEU 30 12.876 -1.488 7.806 226 HA LEU 30 HA LEU 30 12.617 -4.299 8.111 227 HB2 LEU 30 2HB LEU 30 14.532 -2.586 8.763 228 HB3 LEU 30 3HB LEU 30 13.700 -2.627 10.316 229 HG LEU 30 HG LEU 30 14.047 -5.055 10.427 230 HD11 LEU 30 1HD1 LEU 30 14.296 -6.076 8.452 231 HD12 LEU 30 2HD1 LEU 30 15.999 -5.649 8.622 232 HD13 LEU 30 3HD1 LEU 30 14.925 -4.626 7.668 233 HD21 LEU 30 3HD2 LEU 30 15.723 -4.060 11.603 234 HD22 LEU 30 1HD2 LEU 30 16.295 -3.128 10.219 235 HD23 LEU 30 2HD2 LEU 30 16.690 -4.842 10.352 236 H ALA 31 H ALA 31 11.316 -1.524 9.864 237 HA ALA 31 HA ALA 31 10.088 -3.090 11.918 238 HB1 ALA 31 1HB ALA 31 10.291 -1.026 12.776 239 HB2 ALA 31 2HB ALA 31 10.240 -0.251 11.192 240 HB3 ALA 31 3HB ALA 31 8.741 -0.735 11.985 241 H ALA 32 H ALA 32 9.115 -1.887 8.783 242 HA ALA 32 HA ALA 32 6.327 -2.551 9.186 243 HB1 ALA 32 1HB ALA 32 6.904 -0.625 7.819 244 HB2 ALA 32 2HB ALA 32 7.792 -1.664 6.703 245 HB3 ALA 32 3HB ALA 32 6.043 -1.830 6.861 246 H ASN 33 H ASN 33 9.174 -4.094 8.021 247 HA ASN 33 HA ASN 33 7.562 -6.422 7.233 248 HB2 ASN 33 2HB ASN 33 9.938 -5.282 5.751 249 HB3 ASN 33 3HB ASN 33 9.268 -6.881 5.442 250 HD21 ASN 33 1HD2 ASN 33 8.581 -3.442 5.381 251 HD22 ASN 33 2HD2 ASN 33 7.322 -3.524 4.200 252 HA PRO 34 HA PRO 34 10.740 -7.540 10.418 253 HB2 PRO 34 2HB PRO 34 9.048 -9.057 11.902 254 HB3 PRO 34 3HB PRO 34 9.208 -7.310 12.114 255 HG2 PRO 34 2HG PRO 34 7.124 -8.854 10.619 256 HG3 PRO 34 3HG PRO 34 6.925 -7.460 11.698 257 HD2 PRO 34 2HD PRO 34 6.907 -7.228 9.000 258 HD3 PRO 34 3HD PRO 34 7.528 -5.950 10.064 259 H GLY 35 H GLY 35 11.814 -9.501 10.642 260 HA2 GLY 35 2HA GLY 35 12.168 -11.802 10.356 261 HA3 GLY 35 3HA GLY 35 10.676 -11.894 9.432 262 H LEU 36 H LEU 36 11.882 -9.391 7.981 263 HA LEU 36 HA LEU 36 12.987 -10.925 5.809 264 HB2 LEU 36 2HB LEU 36 11.532 -8.654 5.919 265 HB3 LEU 36 3HB LEU 36 13.151 -7.982 5.734 266 HG LEU 36 HG LEU 36 11.979 -8.202 3.591 267 HD11 LEU 36 1HD1 LEU 36 13.847 -8.797 2.453 268 HD12 LEU 36 2HD1 LEU 36 14.098 -10.261 3.404 269 HD13 LEU 36 3HD1 LEU 36 14.551 -8.691 4.067 270 HD21 LEU 36 3HD2 LEU 36 11.392 -10.317 2.667 271 HD22 LEU 36 1HD2 LEU 36 10.660 -10.222 4.269 272 HD23 LEU 36 2HD2 LEU 36 12.121 -11.179 4.023 273 H ALA 37 H ALA 37 14.210 -9.186 8.495 274 HA ALA 37 HA ALA 37 16.772 -8.541 7.399 275 HB1 ALA 37 1HB ALA 37 15.365 -7.911 9.729 276 HB2 ALA 37 2HB ALA 37 16.801 -8.783 10.266 277 HB3 ALA 37 3HB ALA 37 16.968 -7.345 9.260 278 H GLU 38 H GLU 38 15.373 -11.441 8.234 279 HA GLU 38 HA GLU 38 17.801 -12.689 9.240 280 HB2 GLU 38 2HB GLU 38 15.070 -13.844 8.649 281 HB3 GLU 38 3HB GLU 38 16.406 -14.737 9.361 282 HG2 GLU 38 2HG GLU 38 15.536 -12.229 10.687 283 HG3 GLU 38 3HG GLU 38 14.511 -13.655 10.835 284 H LEU 39 H LEU 39 15.957 -12.437 6.294 285 HA LEU 39 HA LEU 39 16.918 -14.615 4.864 286 HB2 LEU 39 2HB LEU 39 15.398 -12.325 4.333 287 HB3 LEU 39 3HB LEU 39 16.733 -12.285 3.183 288 HG LEU 39 HG LEU 39 16.098 -14.439 2.301 289 HD11 LEU 39 1HD1 LEU 39 15.247 -15.797 3.901 290 HD12 LEU 39 2HD1 LEU 39 13.722 -15.214 3.234 291 HD13 LEU 39 3HD1 LEU 39 14.375 -14.493 4.705 292 HD21 LEU 39 3HD2 LEU 39 13.863 -12.443 2.558 293 HD22 LEU 39 1HD2 LEU 39 13.759 -13.866 1.522 294 HD23 LEU 39 2HD2 LEU 39 15.000 -12.648 1.225 295 H GLY 40 H GLY 40 18.237 -11.301 4.957 296 HA2 GLY 40 2HA GLY 40 20.448 -10.619 4.843 297 HA3 GLY 40 3HA GLY 40 20.928 -12.308 4.759 298 H ALA 41 H ALA 41 20.937 -13.367 2.722 299 HA ALA 41 HA ALA 41 21.950 -11.841 0.612 300 HB1 ALA 41 1HB ALA 41 22.276 -14.309 1.016 301 HB2 ALA 41 2HB ALA 41 20.683 -14.551 0.296 302 HB3 ALA 41 3HB ALA 41 21.983 -13.837 -0.658 303 H VAL 42 H VAL 42 20.800 -12.516 -1.719 304 HA VAL 42 HA VAL 42 18.792 -10.652 -2.094 305 HB VAL 42 HB VAL 42 19.200 -13.140 -3.757 306 HG11 VAL 42 1HG1 VAL 42 17.366 -12.309 -4.763 307 HG12 VAL 42 2HG1 VAL 42 17.575 -10.706 -4.054 308 HG13 VAL 42 3HG1 VAL 42 18.508 -11.170 -5.478 309 HG21 VAL 42 3HG2 VAL 42 20.941 -10.911 -3.278 310 HG22 VAL 42 1HG2 VAL 42 21.206 -12.339 -4.278 311 HG23 VAL 42 2HG2 VAL 42 20.423 -10.916 -4.964 312 H LEU 43 H LEU 43 16.552 -10.778 -2.377 313 HA LEU 43 HA LEU 43 15.265 -12.788 -0.736 314 HB2 LEU 43 2HB LEU 43 13.760 -10.711 -2.254 315 HB3 LEU 43 3HB LEU 43 13.432 -11.395 -0.663 316 HG LEU 43 HG LEU 43 15.693 -9.485 -1.238 317 HD11 LEU 43 1HD1 LEU 43 14.221 -7.845 -0.022 318 HD12 LEU 43 2HD1 LEU 43 12.891 -8.978 -0.266 319 HD13 LEU 43 3HD1 LEU 43 13.708 -8.264 -1.657 320 HD21 LEU 43 3HD2 LEU 43 14.470 -10.543 1.306 321 HD22 LEU 43 1HD2 LEU 43 15.626 -9.213 1.234 322 HD23 LEU 43 2HD2 LEU 43 16.104 -10.827 0.706 323 HA PRO 44 HA PRO 44 13.814 -15.403 -3.951 324 HB2 PRO 44 2HB PRO 44 11.440 -16.220 -2.919 325 HB3 PRO 44 3HB PRO 44 12.999 -16.775 -2.299 326 HG2 PRO 44 2HG PRO 44 11.190 -14.640 -1.236 327 HG3 PRO 44 3HG PRO 44 12.080 -15.895 -0.353 328 HD2 PRO 44 2HD PRO 44 12.949 -13.336 -0.520 329 HD3 PRO 44 3HD PRO 44 14.060 -14.717 -0.424 330 H HIS 45 H HIS 45 12.941 -14.957 -5.869 331 HA HIS 45 HA HIS 45 11.524 -12.687 -6.509 332 HB2 HIS 45 2HB HIS 45 10.836 -13.926 -8.592 333 HB3 HIS 45 3HB HIS 45 12.564 -13.955 -8.252 334 HD1 HIS 45 HD1 HIS 45 9.630 -16.141 -8.700 335 HD2 HIS 45 HD2 HIS 45 13.535 -16.487 -7.326 336 HE1 HIS 45 HE1 HIS 45 10.105 -18.609 -8.643 337 H GLY 46 H GLY 46 9.696 -12.085 -5.509 338 HA2 GLY 46 2HA GLY 46 7.230 -12.444 -5.891 339 HA3 GLY 46 3HA GLY 46 7.524 -14.078 -5.313 340 H THR 47 H THR 47 9.495 -11.985 -3.643 341 HA THR 47 HA THR 47 8.111 -12.369 -1.200 342 HB THR 47 HB THR 47 10.372 -10.458 -1.822 343 HG1 THR 47 HG1 THR 47 10.698 -12.879 -0.439 344 HG21 THR 47 3HG2 THR 47 10.349 -11.414 0.869 345 HG22 THR 47 1HG2 THR 47 8.774 -10.714 0.500 346 HG23 THR 47 2HG2 THR 47 10.238 -9.753 0.286 347 H ALA 48 H ALA 48 6.521 -11.228 -0.312 348 HA ALA 48 HA ALA 48 5.644 -8.771 -1.594 349 HB1 ALA 48 1HB ALA 48 3.959 -9.256 0.556 350 HB2 ALA 48 2HB ALA 48 3.674 -9.696 -1.129 351 HB3 ALA 48 3HB ALA 48 4.404 -10.861 -0.025 352 H VAL 49 H VAL 49 6.947 -7.108 -0.992 353 HA VAL 49 HA VAL 49 7.284 -6.629 1.896 354 HB VAL 49 HB VAL 49 8.969 -5.593 -0.389 355 HG11 VAL 49 1HG1 VAL 49 9.617 -4.007 1.028 356 HG12 VAL 49 2HG1 VAL 49 8.662 -4.709 2.335 357 HG13 VAL 49 3HG1 VAL 49 10.307 -5.273 2.042 358 HG21 VAL 49 3HG2 VAL 49 9.794 -7.692 -0.252 359 HG22 VAL 49 1HG2 VAL 49 10.650 -7.034 1.143 360 HG23 VAL 49 2HG2 VAL 49 9.161 -7.951 1.374 361 H GLU 50 H GLU 50 6.473 -4.820 2.779 362 HA GLU 50 HA GLU 50 4.888 -3.073 1.081 363 HB2 GLU 50 2HB GLU 50 4.004 -4.003 3.233 364 HB3 GLU 50 3HB GLU 50 5.186 -3.021 4.087 365 HG2 GLU 50 2HG GLU 50 3.341 -1.688 2.175 366 HG3 GLU 50 3HG GLU 50 2.718 -2.203 3.742 367 H LEU 51 H LEU 51 5.147 -0.848 0.921 368 HA LEU 51 HA LEU 51 7.811 0.134 1.698 369 HB2 LEU 51 2HB LEU 51 6.008 1.221 -0.456 370 HB3 LEU 51 3HB LEU 51 7.685 1.665 -0.146 371 HG LEU 51 HG LEU 51 6.699 -0.984 -1.203 372 HD11 LEU 51 1HD1 LEU 51 6.983 -0.153 -3.239 373 HD12 LEU 51 2HD1 LEU 51 8.599 0.425 -2.834 374 HD13 LEU 51 3HD1 LEU 51 7.193 1.439 -2.510 375 HD21 LEU 51 3HD2 LEU 51 8.628 -1.305 0.235 376 HD22 LEU 51 1HD2 LEU 51 9.500 -0.029 -0.615 377 HD23 LEU 51 2HD2 LEU 51 9.083 -1.522 -1.455 378 HA PRO 52 HA PRO 52 5.096 2.552 4.450 379 HB2 PRO 52 2HB PRO 52 7.031 2.995 6.301 380 HB3 PRO 52 3HB PRO 52 6.076 1.509 6.247 381 HG2 PRO 52 2HG PRO 52 8.836 2.026 5.209 382 HG3 PRO 52 3HG PRO 52 8.219 0.620 6.095 383 HD2 PRO 52 2HD PRO 52 8.555 0.616 3.408 384 HD3 PRO 52 3HD PRO 52 7.270 -0.310 4.212 385 H ASP 53 H ASP 53 5.029 4.763 4.901 386 HA ASP 53 HA ASP 53 5.424 6.980 4.582 387 HB2 ASP 53 2HB ASP 53 7.717 6.086 5.603 388 HB3 ASP 53 3HB ASP 53 8.316 6.543 4.011 389 H VAL 54 H VAL 54 4.654 5.393 2.361 390 HA VAL 54 HA VAL 54 5.958 6.862 0.162 391 HB VAL 54 HB VAL 54 4.736 4.100 0.061 392 HG11 VAL 54 1HG1 VAL 54 4.285 4.814 -2.053 393 HG12 VAL 54 2HG1 VAL 54 5.581 6.012 -2.045 394 HG13 VAL 54 3HG1 VAL 54 5.957 4.305 -2.287 395 HG21 VAL 54 3HG2 VAL 54 7.568 5.100 0.020 396 HG22 VAL 54 1HG2 VAL 54 6.842 3.882 1.069 397 HG23 VAL 54 2HG2 VAL 54 7.127 3.523 -0.634 398 H GLN 55 H GLN 55 4.658 7.753 -1.422 399 HA GLN 55 HA GLN 55 1.915 8.241 -0.629 400 HB2 GLN 55 2HB GLN 55 3.767 9.396 -2.679 401 HB3 GLN 55 3HB GLN 55 2.035 9.668 -2.822 402 HG2 GLN 55 2HG GLN 55 3.393 10.238 -0.233 403 HG3 GLN 55 3HG GLN 55 3.554 11.376 -1.570 404 HE21 GLN 55 1HE2 GLN 55 2.125 11.391 1.104 405 HE22 GLN 55 2HE2 GLN 55 0.527 11.921 0.720 406 H THR 56 H THR 56 0.178 8.178 -2.301 407 HA THR 56 HA THR 56 -0.153 5.584 -3.296 408 HB THR 56 HB THR 56 -1.993 7.238 -2.781 409 HG1 THR 56 HG1 THR 56 -2.645 5.403 -3.807 410 HG21 THR 56 3HG2 THR 56 -2.511 8.980 -4.164 411 HG22 THR 56 1HG2 THR 56 -1.847 8.188 -5.592 412 HG23 THR 56 2HG2 THR 56 -0.766 8.940 -4.419 413 H ALA 57 H ALA 57 -1.034 5.531 -5.790 414 HA ALA 57 HA ALA 57 -0.433 5.401 -7.982 415 HB1 ALA 57 1HB ALA 57 1.487 7.426 -8.324 416 HB2 ALA 57 2HB ALA 57 -0.226 7.474 -8.742 417 HB3 ALA 57 3HB ALA 57 0.312 8.038 -7.160 418 HA PRO 58 HA PRO 58 3.274 3.066 -8.227 419 HB2 PRO 58 2HB PRO 58 3.991 3.382 -10.827 420 HB3 PRO 58 3HB PRO 58 2.606 2.405 -10.324 421 HG2 PRO 58 2HG PRO 58 2.666 5.209 -11.370 422 HG3 PRO 58 3HG PRO 58 1.551 3.889 -11.770 423 HD2 PRO 58 2HD PRO 58 0.902 5.872 -10.044 424 HD3 PRO 58 3HD PRO 58 0.284 4.216 -9.873 425 H VAL 59 H VAL 59 5.576 3.292 -9.496 426 HA VAL 59 HA VAL 59 6.636 5.954 -8.802 427 HB VAL 59 HB VAL 59 7.263 4.203 -7.134 428 HG11 VAL 59 1HG1 VAL 59 8.771 3.023 -9.466 429 HG12 VAL 59 2HG1 VAL 59 8.928 2.519 -7.782 430 HG13 VAL 59 3HG1 VAL 59 7.399 2.293 -8.633 431 HG21 VAL 59 3HG2 VAL 59 9.795 4.962 -8.492 432 HG22 VAL 59 1HG2 VAL 59 8.701 6.254 -7.997 433 HG23 VAL 59 2HG2 VAL 59 9.327 5.120 -6.799 434 H ALA 60 H ALA 60 8.454 6.674 -10.005 435 HA ALA 60 HA ALA 60 8.338 6.312 -12.736 436 HB1 ALA 60 1HB ALA 60 9.615 8.055 -11.219 437 HB2 ALA 60 2HB ALA 60 10.978 6.983 -11.545 438 HB3 ALA 60 3HB ALA 60 10.113 7.741 -12.882 439 H GLU 61 H GLU 61 8.448 4.336 -13.643 440 HA GLU 61 HA GLU 61 10.949 3.037 -13.891 441 HB2 GLU 61 2HB GLU 61 10.125 2.334 -11.557 442 HB3 GLU 61 3HB GLU 61 8.922 1.377 -12.411 443 HG2 GLU 61 2HG GLU 61 10.612 0.064 -13.467 444 HG3 GLU 61 3HG GLU 61 11.885 1.116 -12.850 445 H THR 62 H THR 62 10.771 1.007 -15.182 446 HA THR 62 HA THR 62 8.333 1.022 -16.840 447 HB THR 62 HB THR 62 9.935 0.193 -18.694 448 HG1 THR 62 HG1 THR 62 12.001 0.272 -18.254 449 HG21 THR 62 3HG2 THR 62 10.087 2.343 -19.541 450 HG22 THR 62 1HG2 THR 62 10.430 3.052 -17.964 451 HG23 THR 62 2HG2 THR 62 8.796 2.516 -18.352 452 H VAL 63 H VAL 63 7.246 -0.812 -16.635 453 HA VAL 63 HA VAL 63 8.371 -3.352 -17.092 454 HB VAL 63 HB VAL 63 9.287 -2.984 -14.808 455 HG11 VAL 63 1HG1 VAL 63 7.955 -2.725 -12.922 456 HG12 VAL 63 2HG1 VAL 63 7.164 -1.689 -14.111 457 HG13 VAL 63 3HG1 VAL 63 6.502 -3.284 -13.749 458 HG21 VAL 63 3HG2 VAL 63 9.095 -5.181 -14.310 459 HG22 VAL 63 1HG2 VAL 63 7.334 -5.158 -14.404 460 HG23 VAL 63 2HG2 VAL 63 8.296 -5.244 -15.880 461 H ASN 64 H ASN 64 6.808 -4.880 -17.456 462 HA ASN 64 HA ASN 64 4.031 -4.095 -16.864 463 HB2 ASN 64 2HB ASN 64 5.219 -5.183 -19.405 464 HB3 ASN 64 3HB ASN 64 3.507 -5.388 -19.043 465 HD21 ASN 64 1HD2 ASN 64 5.737 -3.455 -20.518 466 HD22 ASN 64 2HD2 ASN 64 4.819 -1.995 -20.621 467 H LEU 65 H LEU 65 5.140 -5.582 -15.005 468 HA LEU 65 HA LEU 65 4.957 -8.402 -15.534 469 HB2 LEU 65 2HB LEU 65 5.492 -6.712 -13.133 470 HB3 LEU 65 3HB LEU 65 5.072 -8.411 -12.919 471 HG LEU 65 HG LEU 65 7.365 -7.521 -14.651 472 HD11 LEU 65 1HD1 LEU 65 7.309 -6.949 -12.025 473 HD12 LEU 65 2HD1 LEU 65 8.778 -7.374 -12.903 474 HD13 LEU 65 3HD1 LEU 65 7.924 -8.601 -11.968 475 HD21 LEU 65 3HD2 LEU 65 8.110 -9.881 -13.977 476 HD22 LEU 65 1HD2 LEU 65 6.808 -9.730 -15.157 477 HD23 LEU 65 2HD2 LEU 65 6.435 -10.120 -13.478 478 H TRP 66 H TRP 66 2.962 -9.116 -16.032 479 HA TRP 66 HA TRP 66 0.758 -8.401 -14.213 480 HB2 TRP 66 2HB TRP 66 0.471 -9.501 -17.010 481 HB3 TRP 66 3HB TRP 66 -0.780 -8.776 -16.004 482 HD1 TRP 66 HD1 TRP 66 0.839 -7.895 -18.969 483 HE1 TRP 66 HE1 TRP 66 1.224 -5.363 -19.228 484 HE3 TRP 66 HE3 TRP 66 0.206 -6.476 -14.098 485 HZ2 TRP 66 HZ2 TRP 66 1.255 -3.068 -17.584 486 HZ3 TRP 66 HZ3 TRP 66 0.431 -4.094 -13.525 487 HH2 TRP 66 HH2 TRP 66 0.945 -2.427 -15.234 488 H GLU 67 H GLU 67 -0.204 -9.960 -13.058 489 HA GLU 67 HA GLU 67 -0.449 -12.653 -13.840 490 HB2 GLU 67 2HB GLU 67 1.081 -13.655 -12.124 491 HB3 GLU 67 3HB GLU 67 1.902 -12.878 -13.470 492 HG2 GLU 67 2HG GLU 67 2.165 -10.853 -12.020 493 HG3 GLU 67 3HG GLU 67 1.559 -11.823 -10.678 494 H VAL 68 H VAL 68 -2.286 -13.210 -12.898 495 HA VAL 68 HA VAL 68 -2.819 -12.247 -10.162 496 HB VAL 68 HB VAL 68 -5.210 -12.274 -10.689 497 HG11 VAL 68 1HG1 VAL 68 -3.569 -10.302 -11.200 498 HG12 VAL 68 2HG1 VAL 68 -3.988 -10.656 -12.878 499 HG13 VAL 68 3HG1 VAL 68 -5.251 -10.221 -11.725 500 HG21 VAL 68 3HG2 VAL 68 -5.698 -13.768 -12.328 501 HG22 VAL 68 1HG2 VAL 68 -5.583 -12.322 -13.332 502 HG23 VAL 68 2HG2 VAL 68 -4.218 -13.433 -13.227 503 H GLU 69 H GLU 69 -3.025 -14.911 -12.430 504 HA GLU 69 HA GLU 69 -3.988 -16.677 -10.290 505 HB2 GLU 69 2HB GLU 69 -5.123 -16.563 -12.593 506 HB3 GLU 69 3HB GLU 69 -3.713 -17.425 -13.193 507 HG2 GLU 69 2HG GLU 69 -5.518 -18.963 -12.737 508 HG3 GLU 69 3HG GLU 69 -4.169 -19.255 -11.641 509 H HIS 70 H HIS 70 -2.417 -17.610 -9.166 510 HA HIS 70 HA HIS 70 -0.033 -18.562 -10.616 511 HB2 HIS 70 2HB HIS 70 1.184 -18.302 -8.441 512 HB3 HIS 70 3HB HIS 70 0.632 -16.783 -9.141 513 HD1 HIS 70 HD1 HIS 70 -0.171 -19.188 -6.348 514 HD2 HIS 70 HD2 HIS 70 -1.092 -15.324 -7.567 515 HE1 HIS 70 HE1 HIS 70 -1.424 -18.157 -4.427 516 H HIS 71 H HIS 71 -2.476 -19.252 -8.211 517 HA HIS 71 HA HIS 71 -1.450 -21.674 -7.227 518 HB2 HIS 71 2HB HIS 71 -3.392 -20.298 -6.306 519 HB3 HIS 71 3HB HIS 71 -4.388 -21.062 -7.541 520 HD1 HIS 71 HD1 HIS 71 -3.723 -23.933 -7.404 521 HD2 HIS 71 HD2 HIS 71 -3.895 -21.574 -3.988 522 HE1 HIS 71 HE1 HIS 71 -4.106 -25.532 -5.501 Start of MODEL 2 1 H1 MET 1 H MET 1 2.955 0.688 -0.276 2 HA MET 1 HA MET 1 3.373 0.699 -3.194 3 HB2 MET 1 2HB MET 1 4.981 2.167 -1.097 4 HB3 MET 1 3HB MET 1 5.249 2.221 -2.834 5 HG2 MET 1 2HG MET 1 2.716 3.141 -1.502 6 HG3 MET 1 3HG MET 1 4.071 4.200 -1.884 7 HE1 MET 1 3HE MET 1 0.666 4.087 -4.423 8 HE2 MET 1 1HE MET 1 0.724 2.967 -3.062 9 HE3 MET 1 2HE MET 1 1.094 4.674 -2.816 10 H LYS 2 H LYS 2 3.404 -1.622 -1.466 11 HA LYS 2 HA LYS 2 6.161 -2.329 -1.020 12 HB2 LYS 2 2HB LYS 2 5.312 -4.451 -0.256 13 HB3 LYS 2 3HB LYS 2 4.302 -3.172 0.405 14 HG2 LYS 2 2HG LYS 2 2.600 -4.426 -0.307 15 HG3 LYS 2 3HG LYS 2 2.985 -3.772 -1.901 16 HD2 LYS 2 2HD LYS 2 4.001 -5.706 -2.600 17 HD3 LYS 2 3HD LYS 2 4.455 -6.186 -0.963 18 HE2 LYS 2 2HE LYS 2 1.894 -6.432 -0.606 19 HE3 LYS 2 3HE LYS 2 1.828 -6.480 -2.367 20 HZ1 LYS 2 3HZ LYS 2 2.225 -8.645 -2.135 21 HZ2 LYS 2 1HZ LYS 2 2.697 -8.492 -0.518 22 HZ3 LYS 2 2HZ LYS 2 3.818 -8.222 -1.756 23 H THR 3 H THR 3 7.304 -4.001 -2.089 24 HA THR 3 HA THR 3 6.237 -4.894 -4.664 25 HB THR 3 HB THR 3 7.501 -2.921 -5.259 26 HG1 THR 3 HG1 THR 3 8.913 -3.912 -6.710 27 HG21 THR 3 3HG2 THR 3 9.208 -3.762 -3.139 28 HG22 THR 3 1HG2 THR 3 9.258 -2.260 -4.061 29 HG23 THR 3 2HG2 THR 3 10.164 -3.666 -4.618 30 H PHE 4 H PHE 4 7.307 -6.744 -5.538 31 HA PHE 4 HA PHE 4 8.230 -8.552 -3.513 32 HB2 PHE 4 2HB PHE 4 8.245 -9.045 -6.489 33 HB3 PHE 4 3HB PHE 4 8.152 -10.235 -5.196 34 HD1 PHE 4 HD2 PHE 4 6.066 -9.402 -3.480 35 HD2 PHE 4 HD1 PHE 4 6.312 -9.021 -7.713 36 HE1 PHE 4 HE2 PHE 4 3.610 -9.356 -3.615 37 HE2 PHE 4 HE1 PHE 4 3.856 -8.973 -7.854 38 HZ PHE 4 HZ PHE 4 2.502 -9.142 -5.804 39 H ALA 5 H ALA 5 10.251 -8.745 -2.840 40 HA ALA 5 HA ALA 5 12.425 -7.436 -4.139 41 HB1 ALA 5 1HB ALA 5 12.014 -8.073 -1.605 42 HB2 ALA 5 2HB ALA 5 12.933 -9.505 -2.070 43 HB3 ALA 5 3HB ALA 5 13.640 -7.902 -2.268 44 H LEU 6 H LEU 6 14.323 -8.402 -5.007 45 HA LEU 6 HA LEU 6 14.230 -11.226 -5.693 46 HB2 LEU 6 2HB LEU 6 14.472 -9.110 -7.825 47 HB3 LEU 6 3HB LEU 6 14.506 -10.856 -8.063 48 HG LEU 6 HG LEU 6 12.100 -9.381 -7.010 49 HD11 LEU 6 1HD1 LEU 6 12.677 -8.565 -9.252 50 HD12 LEU 6 2HD1 LEU 6 11.182 -9.499 -9.249 51 HD13 LEU 6 3HD1 LEU 6 12.673 -10.225 -9.847 52 HD21 LEU 6 3HD2 LEU 6 10.942 -11.363 -7.265 53 HD22 LEU 6 1HD2 LEU 6 12.513 -11.927 -6.693 54 HD23 LEU 6 2HD2 LEU 6 12.112 -12.023 -8.408 55 H GLN 7 H GLN 7 16.266 -11.561 -7.317 56 HA GLN 7 HA GLN 7 18.540 -11.304 -5.778 57 HB2 GLN 7 2HB GLN 7 18.037 -12.665 -7.979 58 HB3 GLN 7 3HB GLN 7 18.804 -11.286 -8.755 59 HG2 GLN 7 2HG GLN 7 20.692 -11.698 -7.020 60 HG3 GLN 7 3HG GLN 7 19.973 -13.302 -6.894 61 HE21 GLN 7 1HE2 GLN 7 22.181 -11.425 -8.515 62 HE22 GLN 7 2HE2 GLN 7 22.424 -12.425 -9.903 63 H GLY 8 H GLY 8 19.784 -9.644 -5.229 64 HA2 GLY 8 2HA GLY 8 20.806 -7.588 -5.252 65 HA3 GLY 8 3HA GLY 8 20.677 -7.650 -7.003 66 H ASP 9 H ASP 9 17.796 -7.877 -5.103 67 HA ASP 9 HA ASP 9 17.176 -5.061 -5.708 68 HB2 ASP 9 2HB ASP 9 15.554 -7.531 -6.218 69 HB3 ASP 9 3HB ASP 9 14.739 -6.002 -5.899 70 H THR 10 H THR 10 18.128 -6.475 -3.253 71 HA THR 10 HA THR 10 15.945 -6.573 -1.417 72 HB THR 10 HB THR 10 17.543 -6.966 0.289 73 HG1 THR 10 HG1 THR 10 19.718 -6.424 0.061 74 HG21 THR 10 3HG2 THR 10 18.618 -8.093 -2.299 75 HG22 THR 10 1HG2 THR 10 17.367 -8.810 -1.285 76 HG23 THR 10 2HG2 THR 10 19.021 -8.685 -0.687 77 H LEU 11 H LEU 11 16.317 -5.226 0.736 78 HA LEU 11 HA LEU 11 15.498 -2.643 0.287 79 HB2 LEU 11 2HB LEU 11 17.138 -3.461 2.672 80 HB3 LEU 11 3HB LEU 11 15.908 -2.201 2.587 81 HG LEU 11 HG LEU 11 14.473 -4.430 1.929 82 HD11 LEU 11 1HD1 LEU 11 15.172 -6.302 2.980 83 HD12 LEU 11 2HD1 LEU 11 15.949 -5.412 4.289 84 HD13 LEU 11 3HD1 LEU 11 16.759 -5.574 2.731 85 HD21 LEU 11 3HD2 LEU 11 14.781 -3.751 4.808 86 HD22 LEU 11 1HD2 LEU 11 13.319 -3.989 3.851 87 HD23 LEU 11 2HD2 LEU 11 14.237 -2.490 3.700 88 H ASP 12 H ASP 12 18.797 -3.829 0.740 89 HA ASP 12 HA ASP 12 20.164 -1.432 0.921 90 HB2 ASP 12 2HB ASP 12 21.016 -3.982 -0.468 91 HB3 ASP 12 3HB ASP 12 22.100 -2.657 -0.050 92 H ALA 13 H ALA 13 18.937 -3.085 -1.938 93 HA ALA 13 HA ALA 13 20.076 -1.092 -3.718 94 HB1 ALA 13 1HB ALA 13 19.986 -2.742 -5.195 95 HB2 ALA 13 2HB ALA 13 19.216 -3.773 -3.988 96 HB3 ALA 13 3HB ALA 13 18.227 -2.786 -5.064 97 H ILE 14 H ILE 14 16.806 -2.281 -2.930 98 HA ILE 14 HA ILE 14 15.309 -0.496 -4.392 99 HB ILE 14 HB ILE 14 14.661 -1.561 -1.641 100 HG12 ILE 14 2HG1 ILE 14 13.850 -2.611 -4.359 101 HG13 ILE 14 3HG1 ILE 14 15.167 -3.273 -3.396 102 HG21 ILE 14 1HG2 ILE 14 12.320 -1.157 -2.260 103 HG22 ILE 14 2HG2 ILE 14 13.255 0.336 -2.206 104 HG23 ILE 14 3HG2 ILE 14 12.857 -0.398 -3.759 105 HD11 ILE 14 3HD1 ILE 14 12.280 -3.168 -2.556 106 HD12 ILE 14 1HD1 ILE 14 13.115 -4.583 -3.195 107 HD13 ILE 14 2HD1 ILE 14 13.609 -3.891 -1.650 108 H CYS 15 H CYS 15 16.387 -0.087 -1.019 109 HA CYS 15 HA CYS 15 15.329 2.423 -0.541 110 HB2 CYS 15 2HB CYS 15 17.853 1.123 0.483 111 HB3 CYS 15 3HB CYS 15 17.283 2.679 1.073 112 HG CYS 15 HG CYS 15 14.785 1.573 1.926 113 H VAL 16 H VAL 16 18.076 1.519 -2.461 114 HA VAL 16 HA VAL 16 19.092 4.230 -2.636 115 HB VAL 16 HB VAL 16 19.938 1.717 -4.086 116 HG11 VAL 16 1HG1 VAL 16 20.658 3.400 -5.500 117 HG12 VAL 16 2HG1 VAL 16 20.936 4.535 -4.177 118 HG13 VAL 16 3HG1 VAL 16 22.047 3.189 -4.434 119 HG21 VAL 16 3HG2 VAL 16 20.275 1.850 -1.574 120 HG22 VAL 16 1HG2 VAL 16 21.718 1.557 -2.545 121 HG23 VAL 16 2HG2 VAL 16 21.404 3.166 -1.895 122 H ARG 17 H ARG 17 17.085 2.051 -4.474 123 HA ARG 17 HA ARG 17 17.135 3.721 -6.843 124 HB2 ARG 17 2HB ARG 17 16.126 1.989 -7.932 125 HB3 ARG 17 3HB ARG 17 16.818 1.085 -6.591 126 HG2 ARG 17 2HG ARG 17 14.634 1.340 -5.402 127 HG3 ARG 17 3HG ARG 17 13.979 2.028 -6.889 128 HD2 ARG 17 2HD ARG 17 15.314 -0.365 -7.584 129 HD3 ARG 17 3HD ARG 17 14.317 -0.714 -6.172 130 HE ARG 17 HE ARG 17 12.439 -0.428 -7.461 131 HH11 ARG 17 1HH1 ARG 17 15.220 0.781 -9.172 132 HH12 ARG 17 2HH1 ARG 17 14.368 1.002 -10.664 133 HH21 ARG 17 1HH2 ARG 17 11.307 -0.142 -9.420 134 HH22 ARG 17 2HH2 ARG 17 12.142 0.478 -10.804 135 H TYR 18 H TYR 18 15.474 3.667 -3.919 136 HA TYR 18 HA TYR 18 13.167 5.093 -5.061 137 HB2 TYR 18 2HB TYR 18 13.507 3.285 -2.749 138 HB3 TYR 18 3HB TYR 18 12.467 4.678 -2.471 139 HD1 TYR 18 HD2 TYR 18 10.369 4.929 -3.693 140 HD2 TYR 18 HD1 TYR 18 12.860 1.530 -4.285 141 HE1 TYR 18 HE2 TYR 18 8.509 3.766 -4.804 142 HE2 TYR 18 HE1 TYR 18 11.006 0.358 -5.399 143 HH TYR 18 HH TYR 18 8.325 1.844 -6.558 144 H TYR 19 H TYR 19 15.088 5.155 -2.052 145 HA TYR 19 HA TYR 19 14.635 8.028 -1.848 146 HB2 TYR 19 2HB TYR 19 16.159 6.318 0.110 147 HB3 TYR 19 3HB TYR 19 15.367 7.863 0.400 148 HD1 TYR 19 HD2 TYR 19 12.838 7.952 0.347 149 HD2 TYR 19 HD1 TYR 19 15.002 4.289 0.412 150 HE1 TYR 19 HE2 TYR 19 10.816 6.777 1.106 151 HE2 TYR 19 HE1 TYR 19 12.985 3.104 1.170 152 HH TYR 19 HH TYR 19 10.899 3.388 2.039 153 H GLY 20 H GLY 20 17.238 5.717 -2.341 154 HA2 GLY 20 2HA GLY 20 19.192 6.203 -3.579 155 HA3 GLY 20 3HA GLY 20 18.938 7.913 -3.263 156 H ARG 21 H ARG 21 18.595 5.856 -0.555 157 HA ARG 21 HA ARG 21 21.334 5.799 0.246 158 HB2 ARG 21 2HB ARG 21 21.404 7.466 1.874 159 HB3 ARG 21 3HB ARG 21 20.553 8.245 0.546 160 HG2 ARG 21 2HG ARG 21 19.236 6.989 2.945 161 HG3 ARG 21 3HG ARG 21 19.540 8.714 2.732 162 HD2 ARG 21 2HD ARG 21 17.799 6.971 0.992 163 HD3 ARG 21 3HD ARG 21 17.243 8.175 2.154 164 HE ARG 21 HE ARG 21 18.276 8.658 -0.495 165 HH11 ARG 21 1HH1 ARG 21 17.643 10.010 2.650 166 HH12 ARG 21 2HH1 ARG 21 17.586 11.645 2.080 167 HH21 ARG 21 1HH2 ARG 21 18.203 10.806 -1.258 168 HH22 ARG 21 2HH2 ARG 21 17.903 12.096 -0.144 169 H THR 22 H THR 22 21.632 4.811 2.344 170 HA THR 22 HA THR 22 19.275 3.246 3.166 171 HB THR 22 HB THR 22 21.215 1.771 4.210 172 HG1 THR 22 HG1 THR 22 22.467 3.017 1.968 173 HG21 THR 22 3HG2 THR 22 21.324 0.571 1.931 174 HG22 THR 22 1HG2 THR 22 20.210 1.821 1.381 175 HG23 THR 22 2HG2 THR 22 19.749 0.748 2.703 176 H GLU 23 H GLU 23 21.829 5.347 4.226 177 HA GLU 23 HA GLU 23 21.714 4.837 6.993 178 HB2 GLU 23 2HB GLU 23 23.541 6.092 5.914 179 HB3 GLU 23 3HB GLU 23 22.427 7.409 5.573 180 HG2 GLU 23 2HG GLU 23 23.739 7.981 7.485 181 HG3 GLU 23 3HG GLU 23 22.079 7.692 8.003 182 H GLY 24 H GLY 24 19.950 4.991 8.210 183 HA2 GLY 24 2HA GLY 24 18.331 6.229 9.385 184 HA3 GLY 24 3HA GLY 24 18.408 7.468 8.141 185 H VAL 25 H VAL 25 18.195 5.116 6.149 186 HA VAL 25 HA VAL 25 15.274 5.134 6.098 187 HB VAL 25 HB VAL 25 17.146 4.099 3.970 188 HG11 VAL 25 1HG1 VAL 25 15.338 3.739 2.685 189 HG12 VAL 25 2HG1 VAL 25 14.471 3.710 4.222 190 HG13 VAL 25 3HG1 VAL 25 14.515 5.189 3.261 191 HG21 VAL 25 3HG2 VAL 25 16.520 6.343 2.869 192 HG22 VAL 25 1HG2 VAL 25 16.117 6.862 4.506 193 HG23 VAL 25 2HG2 VAL 25 17.758 6.342 4.124 194 H VAL 26 H VAL 26 17.984 2.852 6.016 195 HA VAL 26 HA VAL 26 16.629 0.470 5.711 196 HB VAL 26 HB VAL 26 18.471 -0.596 6.994 197 HG11 VAL 26 1HG1 VAL 26 19.057 1.406 4.843 198 HG12 VAL 26 2HG1 VAL 26 20.336 0.394 5.516 199 HG13 VAL 26 3HG1 VAL 26 18.944 -0.350 4.728 200 HG21 VAL 26 3HG2 VAL 26 19.213 2.269 7.546 201 HG22 VAL 26 1HG2 VAL 26 18.895 0.985 8.712 202 HG23 VAL 26 2HG2 VAL 26 20.346 0.928 7.711 203 H GLU 27 H GLU 27 17.038 2.419 8.616 204 HA GLU 27 HA GLU 27 16.008 0.529 10.449 205 HB2 GLU 27 2HB GLU 27 17.131 3.060 10.613 206 HB3 GLU 27 3HB GLU 27 15.478 3.306 11.160 207 HG2 GLU 27 2HG GLU 27 16.906 0.983 12.289 208 HG3 GLU 27 3HG GLU 27 17.473 2.579 12.779 209 H THR 28 H THR 28 14.512 2.935 8.385 210 HA THR 28 HA THR 28 11.953 2.950 9.557 211 HB THR 28 HB THR 28 12.304 3.306 6.602 212 HG1 THR 28 HG1 THR 28 13.129 5.392 7.008 213 HG21 THR 28 3HG2 THR 28 10.590 4.915 6.828 214 HG22 THR 28 1HG2 THR 28 10.798 5.009 8.576 215 HG23 THR 28 2HG2 THR 28 10.097 3.563 7.848 216 H VAL 29 H VAL 29 12.929 1.357 6.513 217 HA VAL 29 HA VAL 29 10.630 -0.204 6.238 218 HB VAL 29 HB VAL 29 13.382 -0.972 5.265 219 HG11 VAL 29 1HG1 VAL 29 10.622 -1.598 4.222 220 HG12 VAL 29 2HG1 VAL 29 12.139 -2.065 3.452 221 HG13 VAL 29 3HG1 VAL 29 11.712 -2.722 5.032 222 HG21 VAL 29 3HG2 VAL 29 12.157 0.237 3.151 223 HG22 VAL 29 1HG2 VAL 29 11.622 1.240 4.499 224 HG23 VAL 29 2HG2 VAL 29 13.345 1.006 4.204 225 H LEU 30 H LEU 30 13.713 -0.920 7.822 226 HA LEU 30 HA LEU 30 13.389 -3.604 8.367 227 HB2 LEU 30 2HB LEU 30 15.436 -2.386 8.842 228 HB3 LEU 30 3HB LEU 30 14.621 -1.481 10.116 229 HG LEU 30 HG LEU 30 14.333 -3.612 11.366 230 HD11 LEU 30 1HD1 LEU 30 16.406 -4.941 9.747 231 HD12 LEU 30 2HD1 LEU 30 14.796 -4.863 9.032 232 HD13 LEU 30 3HD1 LEU 30 15.024 -5.619 10.609 233 HD21 LEU 30 3HD2 LEU 30 16.516 -1.966 11.201 234 HD22 LEU 30 1HD2 LEU 30 17.226 -3.566 10.986 235 HD23 LEU 30 2HD2 LEU 30 16.263 -3.215 12.421 236 H ALA 31 H ALA 31 12.014 -0.827 10.037 237 HA ALA 31 HA ALA 31 10.937 -2.295 12.224 238 HB1 ALA 31 1HB ALA 31 10.863 -0.180 12.925 239 HB2 ALA 31 2HB ALA 31 10.907 0.454 11.280 240 HB3 ALA 31 3HB ALA 31 9.372 -0.039 11.994 241 H ALA 32 H ALA 32 9.790 -1.478 9.020 242 HA ALA 32 HA ALA 32 7.063 -2.178 9.478 243 HB1 ALA 32 1HB ALA 32 6.902 -1.066 7.564 244 HB2 ALA 32 2HB ALA 32 8.643 -1.169 7.300 245 HB3 ALA 32 3HB ALA 32 7.590 -2.469 6.745 246 H ASN 33 H ASN 33 9.924 -3.915 8.434 247 HA ASN 33 HA ASN 33 8.314 -6.379 8.279 248 HB2 ASN 33 2HB ASN 33 10.567 -5.371 6.622 249 HB3 ASN 33 3HB ASN 33 10.533 -7.100 6.956 250 HD21 ASN 33 1HD2 ASN 33 8.244 -4.536 6.061 251 HD22 ASN 33 2HD2 ASN 33 7.440 -5.452 4.835 252 HA PRO 34 HA PRO 34 11.244 -6.692 11.891 253 HB2 PRO 34 2HB PRO 34 9.373 -7.576 13.649 254 HB3 PRO 34 3HB PRO 34 9.686 -5.860 13.360 255 HG2 PRO 34 2HG PRO 34 7.518 -7.603 12.253 256 HG3 PRO 34 3HG PRO 34 7.413 -5.946 12.874 257 HD2 PRO 34 2HD PRO 34 7.504 -6.507 10.226 258 HD3 PRO 34 3HD PRO 34 8.204 -5.027 10.913 259 H GLY 35 H GLY 35 12.221 -8.560 12.563 260 HA2 GLY 35 2HA GLY 35 12.422 -10.861 12.978 261 HA3 GLY 35 3HA GLY 35 10.879 -11.118 12.176 262 H LEU 36 H LEU 36 12.157 -9.257 9.999 263 HA LEU 36 HA LEU 36 13.030 -11.441 8.344 264 HB2 LEU 36 2HB LEU 36 11.702 -9.767 7.309 265 HB3 LEU 36 3HB LEU 36 12.760 -8.481 7.887 266 HG LEU 36 HG LEU 36 14.087 -10.426 6.142 267 HD11 LEU 36 1HD1 LEU 36 12.819 -8.818 4.281 268 HD12 LEU 36 2HD1 LEU 36 11.524 -9.325 5.364 269 HD13 LEU 36 3HD1 LEU 36 12.526 -10.534 4.562 270 HD21 LEU 36 3HD2 LEU 36 14.562 -8.073 5.038 271 HD22 LEU 36 1HD2 LEU 36 15.379 -8.583 6.516 272 HD23 LEU 36 2HD2 LEU 36 13.997 -7.491 6.605 273 H ALA 37 H ALA 37 14.538 -9.225 10.436 274 HA ALA 37 HA ALA 37 17.013 -8.807 9.215 275 HB1 ALA 37 1HB ALA 37 15.956 -7.903 11.460 276 HB2 ALA 37 2HB ALA 37 16.916 -9.208 12.159 277 HB3 ALA 37 3HB ALA 37 17.702 -7.944 11.213 278 H GLU 38 H GLU 38 15.663 -11.651 10.604 279 HA GLU 38 HA GLU 38 18.241 -12.957 10.927 280 HB2 GLU 38 2HB GLU 38 16.983 -14.838 11.794 281 HB3 GLU 38 3HB GLU 38 16.432 -13.357 12.563 282 HG2 GLU 38 2HG GLU 38 14.355 -13.711 11.896 283 HG3 GLU 38 3HG GLU 38 14.870 -13.880 10.218 284 H LEU 39 H LEU 39 16.014 -12.437 8.465 285 HA LEU 39 HA LEU 39 15.902 -14.803 7.049 286 HB2 LEU 39 2HB LEU 39 14.762 -12.615 6.526 287 HB3 LEU 39 3HB LEU 39 16.275 -12.097 5.785 288 HG LEU 39 HG LEU 39 16.090 -13.846 4.115 289 HD11 LEU 39 1HD1 LEU 39 13.972 -15.174 3.997 290 HD12 LEU 39 2HD1 LEU 39 13.608 -14.622 5.632 291 HD13 LEU 39 3HD1 LEU 39 15.043 -15.603 5.332 292 HD21 LEU 39 3HD2 LEU 39 13.444 -12.991 3.627 293 HD22 LEU 39 1HD2 LEU 39 14.941 -12.352 2.947 294 HD23 LEU 39 2HD2 LEU 39 14.281 -11.662 4.430 295 H GLY 40 H GLY 40 18.363 -12.238 6.758 296 HA2 GLY 40 2HA GLY 40 20.689 -13.364 6.729 297 HA3 GLY 40 3HA GLY 40 20.061 -14.131 5.278 298 H ALA 41 H ALA 41 21.790 -13.172 4.095 299 HA ALA 41 HA ALA 41 22.104 -10.338 3.950 300 HB1 ALA 41 1HB ALA 41 23.332 -12.694 2.717 301 HB2 ALA 41 2HB ALA 41 23.286 -11.267 1.680 302 HB3 ALA 41 3HB ALA 41 24.063 -11.184 3.261 303 H VAL 42 H VAL 42 21.365 -12.492 1.221 304 HA VAL 42 HA VAL 42 19.757 -10.383 0.022 305 HB VAL 42 HB VAL 42 20.399 -13.094 -1.137 306 HG11 VAL 42 1HG1 VAL 42 19.825 -10.584 -2.666 307 HG12 VAL 42 2HG1 VAL 42 19.679 -12.265 -3.183 308 HG13 VAL 42 3HG1 VAL 42 18.510 -11.585 -2.050 309 HG21 VAL 42 3HG2 VAL 42 21.904 -10.503 -1.497 310 HG22 VAL 42 1HG2 VAL 42 22.462 -11.893 -0.566 311 HG23 VAL 42 2HG2 VAL 42 22.246 -12.030 -2.311 312 H LEU 43 H LEU 43 17.590 -10.425 -0.220 313 HA LEU 43 HA LEU 43 16.093 -12.352 1.303 314 HB2 LEU 43 2HB LEU 43 15.003 -10.211 -0.507 315 HB3 LEU 43 3HB LEU 43 14.184 -11.008 0.836 316 HG LEU 43 HG LEU 43 16.623 -9.561 1.592 317 HD11 LEU 43 1HD1 LEU 43 15.565 -8.171 -0.270 318 HD12 LEU 43 2HD1 LEU 43 15.851 -7.376 1.278 319 HD13 LEU 43 3HD1 LEU 43 14.227 -7.914 0.851 320 HD21 LEU 43 3HD2 LEU 43 13.935 -10.169 2.629 321 HD22 LEU 43 1HD2 LEU 43 14.610 -8.615 3.119 322 HD23 LEU 43 2HD2 LEU 43 15.489 -10.106 3.461 323 HA PRO 44 HA PRO 44 15.003 -15.171 -1.883 324 HB2 PRO 44 2HB PRO 44 12.522 -15.920 -1.076 325 HB3 PRO 44 3HB PRO 44 13.997 -16.434 -0.249 326 HG2 PRO 44 2HG PRO 44 12.095 -14.235 0.463 327 HG3 PRO 44 3HG PRO 44 12.869 -15.430 1.520 328 HD2 PRO 44 2HD PRO 44 13.771 -12.887 1.289 329 HD3 PRO 44 3HD PRO 44 14.854 -14.259 1.598 330 H HIS 45 H HIS 45 14.322 -14.891 -3.909 331 HA HIS 45 HA HIS 45 13.027 -12.657 -4.863 332 HB2 HIS 45 2HB HIS 45 12.542 -14.037 -6.910 333 HB3 HIS 45 3HB HIS 45 14.222 -14.071 -6.383 334 HD1 HIS 45 HD1 HIS 45 11.305 -16.233 -7.001 335 HD2 HIS 45 HD2 HIS 45 15.018 -16.543 -5.162 336 HE1 HIS 45 HE1 HIS 45 11.707 -18.699 -6.708 337 H GLY 46 H GLY 46 11.116 -11.960 -4.111 338 HA2 GLY 46 2HA GLY 46 8.697 -12.327 -4.726 339 HA3 GLY 46 3HA GLY 46 8.900 -13.910 -3.990 340 H THR 47 H THR 47 10.727 -11.724 -2.286 341 HA THR 47 HA THR 47 9.036 -11.865 -0.002 342 HB THR 47 HB THR 47 11.409 -10.033 -0.375 343 HG1 THR 47 HG1 THR 47 11.552 -12.535 -0.680 344 HG21 THR 47 3HG2 THR 47 10.574 -9.378 1.640 345 HG22 THR 47 1HG2 THR 47 11.495 -10.778 2.189 346 HG23 THR 47 2HG2 THR 47 9.756 -10.914 1.925 347 H ALA 48 H ALA 48 7.447 -10.554 0.614 348 HA ALA 48 HA ALA 48 6.890 -8.167 -0.950 349 HB1 ALA 48 1HB ALA 48 5.335 -9.734 1.080 350 HB2 ALA 48 2HB ALA 48 4.804 -8.142 0.539 351 HB3 ALA 48 3HB ALA 48 4.972 -9.458 -0.623 352 H VAL 49 H VAL 49 8.169 -6.502 -0.343 353 HA VAL 49 HA VAL 49 8.316 -5.852 2.526 354 HB VAL 49 HB VAL 49 10.115 -4.821 0.331 355 HG11 VAL 49 1HG1 VAL 49 10.609 -4.819 3.296 356 HG12 VAL 49 2HG1 VAL 49 11.463 -3.920 2.041 357 HG13 VAL 49 3HG1 VAL 49 9.808 -3.483 2.469 358 HG21 VAL 49 3HG2 VAL 49 10.358 -7.246 0.583 359 HG22 VAL 49 1HG2 VAL 49 11.790 -6.390 1.155 360 HG23 VAL 49 2HG2 VAL 49 10.629 -7.039 2.313 361 H GLU 50 H GLU 50 7.552 -3.949 3.270 362 HA GLU 50 HA GLU 50 6.048 -2.297 1.400 363 HB2 GLU 50 2HB GLU 50 4.894 -2.987 3.414 364 HB3 GLU 50 3HB GLU 50 6.172 -2.318 4.419 365 HG2 GLU 50 2HG GLU 50 5.575 -0.105 3.887 366 HG3 GLU 50 3HG GLU 50 4.542 -0.623 2.555 367 H LEU 51 H LEU 51 6.419 -0.146 1.019 368 HA LEU 51 HA LEU 51 9.008 0.882 1.963 369 HB2 LEU 51 2HB LEU 51 7.436 1.855 -0.409 370 HB3 LEU 51 3HB LEU 51 9.114 2.211 -0.008 371 HG LEU 51 HG LEU 51 8.103 -0.520 -0.793 372 HD11 LEU 51 1HD1 LEU 51 8.395 1.721 -2.433 373 HD12 LEU 51 2HD1 LEU 51 8.246 0.037 -2.935 374 HD13 LEU 51 3HD1 LEU 51 9.843 0.749 -2.701 375 HD21 LEU 51 3HD2 LEU 51 10.938 0.347 -0.991 376 HD22 LEU 51 1HD2 LEU 51 10.260 -1.251 -0.680 377 HD23 LEU 51 2HD2 LEU 51 10.297 -0.043 0.605 378 HA PRO 52 HA PRO 52 6.107 3.551 4.252 379 HB2 PRO 52 2HB PRO 52 7.882 4.134 6.222 380 HB3 PRO 52 3HB PRO 52 6.912 2.657 6.210 381 HG2 PRO 52 2HG PRO 52 9.759 3.059 5.376 382 HG3 PRO 52 3HG PRO 52 9.045 1.739 6.321 383 HD2 PRO 52 2HD PRO 52 9.611 1.502 3.684 384 HD3 PRO 52 3HD PRO 52 8.247 0.661 4.447 385 H ASP 53 H ASP 53 6.189 5.821 4.777 386 HA ASP 53 HA ASP 53 6.635 7.997 4.286 387 HB2 ASP 53 2HB ASP 53 9.454 6.909 4.239 388 HB3 ASP 53 3HB ASP 53 9.069 8.625 4.136 389 H VAL 54 H VAL 54 6.134 6.020 2.115 390 HA VAL 54 HA VAL 54 7.418 7.451 -0.118 391 HB VAL 54 HB VAL 54 6.238 4.670 -0.075 392 HG11 VAL 54 1HG1 VAL 54 5.831 5.322 -2.241 393 HG12 VAL 54 2HG1 VAL 54 7.215 6.416 -2.287 394 HG13 VAL 54 3HG1 VAL 54 7.464 4.673 -2.387 395 HG21 VAL 54 3HG2 VAL 54 8.708 4.169 -0.716 396 HG22 VAL 54 1HG2 VAL 54 9.028 5.739 0.021 397 HG23 VAL 54 2HG2 VAL 54 8.289 4.452 0.973 398 H GLN 55 H GLN 55 6.175 8.241 -1.791 399 HA GLN 55 HA GLN 55 3.288 8.366 -1.251 400 HB2 GLN 55 2HB GLN 55 4.876 10.211 -3.032 401 HB3 GLN 55 3HB GLN 55 3.240 10.446 -2.432 402 HG2 GLN 55 2HG GLN 55 4.171 10.563 -0.129 403 HG3 GLN 55 3HG GLN 55 5.787 10.505 -0.833 404 HE21 GLN 55 1HE2 GLN 55 2.818 12.365 -0.657 405 HE22 GLN 55 2HE2 GLN 55 3.524 13.886 -1.072 406 H THR 56 H THR 56 2.285 9.139 -3.630 407 HA THR 56 HA THR 56 1.897 6.797 -5.033 408 HB THR 56 HB THR 56 0.348 8.569 -5.371 409 HG1 THR 56 HG1 THR 56 1.762 8.432 -7.832 410 HG21 THR 56 3HG2 THR 56 1.093 10.672 -5.307 411 HG22 THR 56 1HG2 THR 56 1.595 10.469 -6.985 412 HG23 THR 56 2HG2 THR 56 2.741 10.165 -5.679 413 H ALA 57 H ALA 57 2.572 6.105 -7.137 414 HA ALA 57 HA ALA 57 5.201 7.141 -7.969 415 HB1 ALA 57 1HB ALA 57 4.662 4.595 -6.879 416 HB2 ALA 57 2HB ALA 57 5.004 4.364 -8.594 417 HB3 ALA 57 3HB ALA 57 6.174 5.190 -7.565 418 HA PRO 58 HA PRO 58 3.687 7.288 -12.084 419 HB2 PRO 58 2HB PRO 58 5.846 6.504 -13.530 420 HB3 PRO 58 3HB PRO 58 5.753 8.070 -12.715 421 HG2 PRO 58 2HG PRO 58 7.118 5.555 -11.835 422 HG3 PRO 58 3HG PRO 58 7.698 7.229 -11.756 423 HD2 PRO 58 2HD PRO 58 6.664 5.943 -9.610 424 HD3 PRO 58 3HD PRO 58 6.484 7.692 -9.852 425 H VAL 59 H VAL 59 3.968 5.883 -14.275 426 HA VAL 59 HA VAL 59 2.396 3.633 -13.999 427 HB VAL 59 HB VAL 59 4.422 4.083 -16.194 428 HG11 VAL 59 1HG1 VAL 59 2.099 2.909 -17.202 429 HG12 VAL 59 2HG1 VAL 59 3.671 2.141 -16.977 430 HG13 VAL 59 3HG1 VAL 59 2.449 2.039 -15.709 431 HG21 VAL 59 3HG2 VAL 59 1.786 5.325 -15.614 432 HG22 VAL 59 1HG2 VAL 59 3.227 6.020 -16.357 433 HG23 VAL 59 2HG2 VAL 59 2.176 4.957 -17.294 434 H ALA 60 H ALA 60 2.730 1.629 -13.300 435 HA ALA 60 HA ALA 60 5.450 0.523 -13.372 436 HB1 ALA 60 1HB ALA 60 5.333 -0.271 -11.139 437 HB2 ALA 60 2HB ALA 60 4.894 1.437 -11.096 438 HB3 ALA 60 3HB ALA 60 3.640 0.201 -10.988 439 H GLU 61 H GLU 61 5.013 -1.917 -12.269 440 HA GLU 61 HA GLU 61 3.926 -3.406 -14.343 441 HB2 GLU 61 2HB GLU 61 5.422 -4.057 -12.251 442 HB3 GLU 61 3HB GLU 61 3.869 -4.538 -11.584 443 HG2 GLU 61 2HG GLU 61 3.539 -6.173 -13.214 444 HG3 GLU 61 3HG GLU 61 4.766 -5.488 -14.278 445 H THR 62 H THR 62 2.111 -5.078 -13.974 446 HA THR 62 HA THR 62 -0.115 -4.198 -12.374 447 HB THR 62 HB THR 62 -0.531 -2.676 -14.146 448 HG1 THR 62 HG1 THR 62 -2.532 -3.380 -14.761 449 HG21 THR 62 3HG2 THR 62 -0.688 -3.439 -16.518 450 HG22 THR 62 1HG2 THR 62 -0.029 -4.995 -16.012 451 HG23 THR 62 2HG2 THR 62 0.940 -3.530 -15.846 452 H VAL 63 H VAL 63 -1.445 -5.860 -11.897 453 HA VAL 63 HA VAL 63 -1.044 -8.373 -13.387 454 HB VAL 63 HB VAL 63 -0.236 -8.411 -11.028 455 HG11 VAL 63 1HG1 VAL 63 -2.220 -6.891 -10.312 456 HG12 VAL 63 2HG1 VAL 63 -3.088 -8.417 -10.134 457 HG13 VAL 63 3HG1 VAL 63 -1.621 -8.122 -9.201 458 HG21 VAL 63 3HG2 VAL 63 -0.826 -10.590 -10.775 459 HG22 VAL 63 1HG2 VAL 63 -2.538 -10.272 -11.053 460 HG23 VAL 63 2HG2 VAL 63 -1.424 -10.356 -12.418 461 H ASN 64 H ASN 64 -3.330 -6.083 -12.152 462 HA ASN 64 HA ASN 64 -5.641 -7.750 -12.483 463 HB2 ASN 64 2HB ASN 64 -6.867 -5.535 -12.221 464 HB3 ASN 64 3HB ASN 64 -5.846 -6.020 -10.871 465 HD21 ASN 64 1HD2 ASN 64 -5.441 -4.018 -10.077 466 HD22 ASN 64 2HD2 ASN 64 -4.537 -2.813 -10.923 467 H LEU 65 H LEU 65 -4.756 -8.306 -14.748 468 HA LEU 65 HA LEU 65 -6.400 -6.897 -16.652 469 HB2 LEU 65 2HB LEU 65 -3.456 -6.628 -16.598 470 HB3 LEU 65 3HB LEU 65 -4.193 -6.905 -18.175 471 HG LEU 65 HG LEU 65 -4.839 -4.623 -16.309 472 HD11 LEU 65 1HD1 LEU 65 -3.645 -4.168 -18.968 473 HD12 LEU 65 2HD1 LEU 65 -2.581 -4.852 -17.739 474 HD13 LEU 65 3HD1 LEU 65 -3.394 -3.315 -17.445 475 HD21 LEU 65 3HD2 LEU 65 -5.918 -5.472 -18.973 476 HD22 LEU 65 1HD2 LEU 65 -5.950 -3.782 -18.470 477 HD23 LEU 65 2HD2 LEU 65 -6.794 -5.002 -17.516 478 H TRP 66 H TRP 66 -6.813 -8.093 -18.529 479 HA TRP 66 HA TRP 66 -6.903 -10.842 -18.295 480 HB2 TRP 66 2HB TRP 66 -6.808 -9.276 -20.882 481 HB3 TRP 66 3HB TRP 66 -7.456 -10.900 -20.670 482 HD1 TRP 66 HD1 TRP 66 -8.720 -7.615 -21.163 483 HE1 TRP 66 HE1 TRP 66 -11.051 -7.279 -20.125 484 HE3 TRP 66 HE3 TRP 66 -8.815 -11.671 -18.053 485 HZ2 TRP 66 HZ2 TRP 66 -12.710 -8.564 -18.236 486 HZ3 TRP 66 HZ3 TRP 66 -10.811 -12.046 -16.664 487 HH2 TRP 66 HH2 TRP 66 -12.717 -10.523 -16.755 488 H GLU 67 H GLU 67 -5.123 -12.021 -17.887 489 HA GLU 67 HA GLU 67 -2.942 -11.885 -19.861 490 HB2 GLU 67 2HB GLU 67 -2.215 -10.859 -17.749 491 HB3 GLU 67 3HB GLU 67 -2.647 -12.327 -16.884 492 HG2 GLU 67 2HG GLU 67 -0.413 -12.657 -17.122 493 HG3 GLU 67 3HG GLU 67 -0.988 -13.430 -18.598 494 H VAL 68 H VAL 68 -3.428 -13.663 -21.042 495 HA VAL 68 HA VAL 68 -4.012 -16.178 -19.663 496 HB VAL 68 HB VAL 68 -4.520 -17.056 -21.927 497 HG11 VAL 68 1HG1 VAL 68 -6.002 -14.501 -21.328 498 HG12 VAL 68 2HG1 VAL 68 -6.615 -15.919 -22.182 499 HG13 VAL 68 3HG1 VAL 68 -6.243 -16.017 -20.460 500 HG21 VAL 68 3HG2 VAL 68 -3.986 -15.976 -23.803 501 HG22 VAL 68 1HG2 VAL 68 -4.703 -14.472 -23.225 502 HG23 VAL 68 2HG2 VAL 68 -3.041 -14.878 -22.797 503 H GLU 69 H GLU 69 -1.416 -15.323 -19.301 504 HA GLU 69 HA GLU 69 0.061 -17.357 -20.819 505 HB2 GLU 69 2HB GLU 69 0.669 -14.457 -20.570 506 HB3 GLU 69 3HB GLU 69 2.025 -15.573 -20.493 507 HG2 GLU 69 2HG GLU 69 0.022 -15.704 -22.714 508 HG3 GLU 69 3HG GLU 69 1.388 -14.592 -22.765 509 H HIS 70 H HIS 70 -0.098 -18.718 -19.007 510 HA HIS 70 HA HIS 70 0.627 -19.678 -17.076 511 HB2 HIS 70 2HB HIS 70 2.851 -18.786 -18.153 512 HB3 HIS 70 3HB HIS 70 2.806 -17.639 -16.817 513 HD1 HIS 70 HD1 HIS 70 1.933 -21.332 -16.723 514 HD2 HIS 70 HD2 HIS 70 4.697 -18.659 -15.151 515 HE1 HIS 70 HE1 HIS 70 3.282 -22.657 -15.064 516 H HIS 71 H HIS 71 -1.224 -17.362 -17.058 517 HA HIS 71 HA HIS 71 -2.267 -15.968 -15.587 518 HB2 HIS 71 2HB HIS 71 -1.109 -18.064 -13.759 519 HB3 HIS 71 3HB HIS 71 -2.119 -16.757 -13.148 520 HD1 HIS 71 HD1 HIS 71 -4.412 -16.629 -15.008 521 HD2 HIS 71 HD2 HIS 71 -2.679 -20.247 -13.927 522 HE1 HIS 71 HE1 HIS 71 -6.179 -18.371 -15.420 Start of MODEL 3 1 H1 MET 1 H MET 1 5.706 0.377 -7.291 2 HA MET 1 HA MET 1 7.842 1.249 -9.119 3 HB2 MET 1 2HB MET 1 7.153 3.121 -7.669 4 HB3 MET 1 3HB MET 1 7.477 2.135 -6.250 5 HG2 MET 1 2HG MET 1 9.300 3.653 -6.616 6 HG3 MET 1 3HG MET 1 9.839 2.001 -6.906 7 HE1 MET 1 3HE MET 1 10.223 5.216 -7.606 8 HE2 MET 1 1HE MET 1 11.648 4.704 -8.511 9 HE3 MET 1 2HE MET 1 10.339 5.554 -9.334 10 H LYS 2 H LYS 2 8.592 -0.859 -9.369 11 HA LYS 2 HA LYS 2 9.888 -1.986 -6.977 12 HB2 LYS 2 2HB LYS 2 9.492 -4.251 -8.011 13 HB3 LYS 2 3HB LYS 2 8.050 -3.435 -7.421 14 HG2 LYS 2 2HG LYS 2 8.385 -2.690 -10.124 15 HG3 LYS 2 3HG LYS 2 8.599 -4.439 -10.024 16 HD2 LYS 2 2HD LYS 2 6.349 -3.373 -8.461 17 HD3 LYS 2 3HD LYS 2 6.195 -3.186 -10.210 18 HE2 LYS 2 2HE LYS 2 6.917 -5.688 -10.261 19 HE3 LYS 2 3HE LYS 2 6.400 -5.682 -8.576 20 HZ1 LYS 2 3HZ LYS 2 4.783 -5.224 -11.001 21 HZ2 LYS 2 1HZ LYS 2 4.260 -4.661 -9.493 22 HZ3 LYS 2 2HZ LYS 2 4.513 -6.315 -9.737 23 H THR 3 H THR 3 11.867 -3.070 -7.320 24 HA THR 3 HA THR 3 13.054 -2.912 -9.983 25 HB THR 3 HB THR 3 13.611 -0.771 -8.811 26 HG1 THR 3 HG1 THR 3 15.531 -0.828 -9.757 27 HG21 THR 3 3HG2 THR 3 13.920 -2.278 -6.584 28 HG22 THR 3 1HG2 THR 3 14.629 -0.677 -6.794 29 HG23 THR 3 2HG2 THR 3 15.598 -2.118 -7.101 30 H PHE 4 H PHE 4 14.909 -4.238 -10.257 31 HA PHE 4 HA PHE 4 14.850 -6.611 -8.652 32 HB2 PHE 4 2HB PHE 4 16.879 -5.939 -10.782 33 HB3 PHE 4 3HB PHE 4 16.375 -7.535 -10.235 34 HD1 PHE 4 HD1 PHE 4 13.847 -8.091 -10.576 35 HD2 PHE 4 HD2 PHE 4 15.955 -5.062 -12.698 36 HE1 PHE 4 HE1 PHE 4 12.157 -8.171 -12.362 37 HE2 PHE 4 HE2 PHE 4 14.267 -5.137 -14.487 38 HZ PHE 4 HZ PHE 4 12.365 -6.692 -14.320 39 H ALA 5 H ALA 5 16.121 -7.159 -6.997 40 HA ALA 5 HA ALA 5 17.996 -5.244 -5.957 41 HB1 ALA 5 1HB ALA 5 16.413 -6.756 -4.622 42 HB2 ALA 5 2HB ALA 5 17.615 -8.020 -4.888 43 HB3 ALA 5 3HB ALA 5 18.059 -6.549 -4.023 44 H LEU 6 H LEU 6 20.217 -5.571 -5.592 45 HA LEU 6 HA LEU 6 21.512 -7.856 -6.842 46 HB2 LEU 6 2HB LEU 6 22.231 -5.042 -7.638 47 HB3 LEU 6 3HB LEU 6 22.955 -6.532 -8.239 48 HG LEU 6 HG LEU 6 20.068 -5.810 -8.697 49 HD11 LEU 6 1HD1 LEU 6 22.475 -5.238 -10.415 50 HD12 LEU 6 2HD1 LEU 6 21.362 -4.067 -9.708 51 HD13 LEU 6 3HD1 LEU 6 20.805 -5.157 -10.977 52 HD21 LEU 6 3HD2 LEU 6 19.941 -7.834 -9.592 53 HD22 LEU 6 1HD2 LEU 6 21.620 -8.141 -9.145 54 HD23 LEU 6 2HD2 LEU 6 21.241 -7.430 -10.714 55 H GLN 7 H GLN 7 24.075 -7.294 -6.706 56 HA GLN 7 HA GLN 7 24.769 -7.485 -4.041 57 HB2 GLN 7 2HB GLN 7 27.065 -7.084 -4.736 58 HB3 GLN 7 3HB GLN 7 26.251 -8.117 -5.904 59 HG2 GLN 7 2HG GLN 7 25.833 -6.022 -7.259 60 HG3 GLN 7 3HG GLN 7 26.965 -5.215 -6.174 61 HE21 GLN 7 1HE2 GLN 7 29.118 -6.237 -5.978 62 HE22 GLN 7 2HE2 GLN 7 29.815 -6.933 -7.397 63 H GLY 8 H GLY 8 24.865 -6.090 -2.409 64 HA2 GLY 8 2HA GLY 8 24.939 -4.120 -1.233 65 HA3 GLY 8 3HA GLY 8 25.850 -3.461 -2.584 66 H ASP 9 H ASP 9 22.688 -4.742 -3.158 67 HA ASP 9 HA ASP 9 21.602 -2.006 -3.274 68 HB2 ASP 9 2HB ASP 9 21.524 -4.186 -5.328 69 HB3 ASP 9 3HB ASP 9 20.194 -3.035 -5.235 70 H THR 10 H THR 10 21.416 -4.180 -1.247 71 HA THR 10 HA THR 10 18.785 -5.275 -1.378 72 HB THR 10 HB THR 10 19.173 -6.198 0.740 73 HG1 THR 10 HG1 THR 10 20.881 -5.306 2.112 74 HG21 THR 10 3HG2 THR 10 20.808 -6.898 -1.064 75 HG22 THR 10 1HG2 THR 10 21.312 -7.216 0.595 76 HG23 THR 10 2HG2 THR 10 21.984 -5.842 -0.284 77 H LEU 11 H LEU 11 17.380 -4.891 0.741 78 HA LEU 11 HA LEU 11 16.105 -2.470 0.492 79 HB2 LEU 11 2HB LEU 11 16.302 -4.114 3.011 80 HB3 LEU 11 3HB LEU 11 15.054 -2.927 2.635 81 HG LEU 11 HG LEU 11 15.492 -5.585 1.278 82 HD11 LEU 11 1HD1 LEU 11 13.257 -6.081 2.179 83 HD12 LEU 11 2HD1 LEU 11 13.271 -4.535 3.026 84 HD13 LEU 11 3HD1 LEU 11 14.443 -5.782 3.450 85 HD21 LEU 11 3HD2 LEU 11 13.672 -3.286 0.626 86 HD22 LEU 11 1HD2 LEU 11 13.305 -4.941 0.138 87 HD23 LEU 11 2HD2 LEU 11 14.776 -4.158 -0.440 88 H ASP 12 H ASP 12 18.776 -3.317 2.634 89 HA ASP 12 HA ASP 12 18.848 -1.084 4.264 90 HB2 ASP 12 2HB ASP 12 20.339 -2.808 4.821 91 HB3 ASP 12 3HB ASP 12 21.011 -2.877 3.194 92 H ALA 13 H ALA 13 20.113 -1.495 0.994 93 HA ALA 13 HA ALA 13 21.168 1.211 0.951 94 HB1 ALA 13 1HB ALA 13 21.388 0.313 -1.611 95 HB2 ALA 13 2HB ALA 13 22.605 0.090 -0.354 96 HB3 ALA 13 3HB ALA 13 21.445 -1.194 -0.696 97 H ILE 14 H ILE 14 18.732 -0.656 -0.863 98 HA ILE 14 HA ILE 14 17.742 1.332 -2.487 99 HB ILE 14 HB ILE 14 16.159 -0.857 -1.136 100 HG12 ILE 14 2HG1 ILE 14 17.403 -0.783 -3.892 101 HG13 ILE 14 3HG1 ILE 14 18.120 -1.594 -2.504 102 HG21 ILE 14 1HG2 ILE 14 14.684 0.862 -1.989 103 HG22 ILE 14 2HG2 ILE 14 15.504 0.828 -3.549 104 HG23 ILE 14 3HG2 ILE 14 14.582 -0.574 -3.007 105 HD11 ILE 14 3HD1 ILE 14 16.391 -2.693 -4.351 106 HD12 ILE 14 1HD1 ILE 14 16.848 -3.384 -2.794 107 HD13 ILE 14 2HD1 ILE 14 15.381 -2.414 -2.932 108 H CYS 15 H CYS 15 16.593 0.486 0.778 109 HA CYS 15 HA CYS 15 14.602 2.403 1.013 110 HB2 CYS 15 2HB CYS 15 16.396 1.144 3.087 111 HB3 CYS 15 3HB CYS 15 15.081 2.234 3.511 112 HG CYS 15 HG CYS 15 13.645 0.110 3.923 113 H VAL 16 H VAL 16 18.053 2.740 1.201 114 HA VAL 16 HA VAL 16 17.920 5.400 2.354 115 HB VAL 16 HB VAL 16 20.271 3.813 1.315 116 HG11 VAL 16 1HG1 VAL 16 20.075 6.545 2.533 117 HG12 VAL 16 2HG1 VAL 16 21.542 5.578 2.692 118 HG13 VAL 16 3HG1 VAL 16 20.951 6.030 1.093 119 HG21 VAL 16 3HG2 VAL 16 19.546 4.481 4.162 120 HG22 VAL 16 1HG2 VAL 16 19.111 2.965 3.372 121 HG23 VAL 16 2HG2 VAL 16 20.808 3.387 3.598 122 H ARG 17 H ARG 17 18.290 3.895 -0.773 123 HA ARG 17 HA ARG 17 19.039 6.373 -2.074 124 HB2 ARG 17 2HB ARG 17 19.507 5.115 -3.930 125 HB3 ARG 17 3HB ARG 17 19.669 3.876 -2.693 126 HG2 ARG 17 2HG ARG 17 17.343 3.175 -3.144 127 HG3 ARG 17 3HG ARG 17 17.276 4.357 -4.453 128 HD2 ARG 17 2HD ARG 17 19.321 2.151 -4.294 129 HD3 ARG 17 3HD ARG 17 17.792 2.004 -5.160 130 HE ARG 17 HE ARG 17 19.343 4.292 -5.942 131 HH11 ARG 17 1HH1 ARG 17 18.799 0.892 -6.455 132 HH12 ARG 17 2HH1 ARG 17 19.435 0.901 -8.067 133 HH21 ARG 17 1HH2 ARG 17 20.183 4.317 -8.062 134 HH22 ARG 17 2HH2 ARG 17 20.223 2.849 -8.980 135 H TYR 18 H TYR 18 16.183 4.922 -1.065 136 HA TYR 18 HA TYR 18 14.595 6.333 -3.100 137 HB2 TYR 18 2HB TYR 18 14.218 3.820 -1.606 138 HB3 TYR 18 3HB TYR 18 12.778 4.821 -1.747 139 HD1 TYR 18 HD2 TYR 18 15.359 3.002 -3.663 140 HD2 TYR 18 HD1 TYR 18 11.620 5.027 -3.816 141 HE1 TYR 18 HE2 TYR 18 14.995 2.146 -5.940 142 HE2 TYR 18 HE1 TYR 18 11.245 4.175 -6.093 143 HH TYR 18 HH TYR 18 13.666 2.807 -7.965 144 H TYR 19 H TYR 19 14.322 5.481 0.356 145 HA TYR 19 HA TYR 19 12.835 7.952 0.814 146 HB2 TYR 19 2HB TYR 19 13.419 5.899 2.926 147 HB3 TYR 19 3HB TYR 19 12.052 7.000 2.802 148 HD1 TYR 19 HD2 TYR 19 10.221 6.525 1.208 149 HD2 TYR 19 HD1 TYR 19 13.398 3.767 1.840 150 HE1 TYR 19 HE2 TYR 19 8.881 4.750 0.159 151 HE2 TYR 19 HE1 TYR 19 12.067 1.984 0.791 152 HH TYR 19 HH TYR 19 9.825 1.429 0.262 153 H GLY 20 H GLY 20 15.847 6.367 1.697 154 HA2 GLY 20 2HA GLY 20 17.831 7.538 2.220 155 HA3 GLY 20 3HA GLY 20 16.863 8.944 2.639 156 H ARG 21 H ARG 21 15.998 5.809 3.855 157 HA ARG 21 HA ARG 21 17.466 5.985 6.295 158 HB2 ARG 21 2HB ARG 21 15.638 6.442 7.812 159 HB3 ARG 21 3HB ARG 21 15.784 7.767 6.665 160 HG2 ARG 21 2HG ARG 21 13.911 5.613 5.927 161 HG3 ARG 21 3HG ARG 21 13.457 6.612 7.310 162 HD2 ARG 21 2HD ARG 21 14.208 8.541 5.622 163 HD3 ARG 21 3HD ARG 21 13.716 7.323 4.446 164 HE ARG 21 HE ARG 21 11.749 7.666 6.470 165 HH11 ARG 21 1HH1 ARG 21 13.035 9.103 3.572 166 HH12 ARG 21 2HH1 ARG 21 11.556 9.903 3.156 167 HH21 ARG 21 1HH2 ARG 21 9.796 8.715 5.933 168 HH22 ARG 21 2HH2 ARG 21 9.714 9.682 4.500 169 H THR 22 H THR 22 16.866 4.255 7.818 170 HA THR 22 HA THR 22 15.562 2.007 6.424 171 HB THR 22 HB THR 22 17.081 0.678 8.162 172 HG1 THR 22 HG1 THR 22 19.156 1.797 8.218 173 HG21 THR 22 3HG2 THR 22 18.918 1.171 6.138 174 HG22 THR 22 1HG2 THR 22 17.354 1.487 5.389 175 HG23 THR 22 2HG2 THR 22 17.671 -0.076 6.142 176 H GLU 23 H GLU 23 15.873 3.822 9.377 177 HA GLU 23 HA GLU 23 14.439 2.017 11.048 178 HB2 GLU 23 2HB GLU 23 15.992 3.838 11.837 179 HB3 GLU 23 3HB GLU 23 14.740 4.998 11.419 180 HG2 GLU 23 2HG GLU 23 14.331 4.719 13.643 181 HG3 GLU 23 3HG GLU 23 13.256 3.499 12.963 182 H GLY 24 H GLY 24 12.382 1.485 10.726 183 HA2 GLY 24 2HA GLY 24 10.074 2.006 10.853 184 HA3 GLY 24 3HA GLY 24 10.436 3.632 10.293 185 H VAL 25 H VAL 25 12.216 2.236 8.190 186 HA VAL 25 HA VAL 25 10.045 1.895 6.252 187 HB VAL 25 HB VAL 25 12.995 2.171 5.678 188 HG11 VAL 25 1HG1 VAL 25 10.971 3.041 3.731 189 HG12 VAL 25 2HG1 VAL 25 12.477 2.155 3.487 190 HG13 VAL 25 3HG1 VAL 25 11.030 1.305 4.030 191 HG21 VAL 25 3HG2 VAL 25 12.082 4.550 4.966 192 HG22 VAL 25 1HG2 VAL 25 10.905 4.209 6.233 193 HG23 VAL 25 2HG2 VAL 25 12.627 4.224 6.611 194 H VAL 26 H VAL 26 12.957 0.285 7.454 195 HA VAL 26 HA VAL 26 13.014 -1.908 5.752 196 HB VAL 26 HB VAL 26 14.169 -3.117 7.584 197 HG11 VAL 26 1HG1 VAL 26 14.953 -0.324 6.849 198 HG12 VAL 26 2HG1 VAL 26 15.966 -1.287 7.926 199 HG13 VAL 26 3HG1 VAL 26 15.625 -1.856 6.291 200 HG21 VAL 26 3HG2 VAL 26 13.066 -2.453 9.542 201 HG22 VAL 26 1HG2 VAL 26 14.653 -1.691 9.653 202 HG23 VAL 26 2HG2 VAL 26 13.250 -0.738 9.170 203 H GLU 27 H GLU 27 10.856 -1.177 8.363 204 HA GLU 27 HA GLU 27 9.882 -3.871 8.664 205 HB2 GLU 27 2HB GLU 27 8.864 -1.221 9.697 206 HB3 GLU 27 3HB GLU 27 8.123 -2.769 10.079 207 HG2 GLU 27 2HG GLU 27 9.976 -3.480 11.317 208 HG3 GLU 27 3HG GLU 27 11.016 -2.227 10.642 209 H THR 28 H THR 28 9.005 -1.016 6.853 210 HA THR 28 HA THR 28 6.386 -1.812 6.129 211 HB THR 28 HB THR 28 8.123 -0.069 4.398 212 HG1 THR 28 HG1 THR 28 7.439 1.666 5.805 213 HG21 THR 28 3HG2 THR 28 5.700 1.116 4.564 214 HG22 THR 28 1HG2 THR 28 5.240 -0.573 4.773 215 HG23 THR 28 2HG2 THR 28 6.127 -0.072 3.333 216 H VAL 29 H VAL 29 9.340 -1.739 4.121 217 HA VAL 29 HA VAL 29 8.339 -3.166 1.963 218 HB VAL 29 HB VAL 29 11.191 -3.275 2.949 219 HG11 VAL 29 1HG1 VAL 29 11.103 -4.812 1.239 220 HG12 VAL 29 2HG1 VAL 29 9.833 -3.941 0.377 221 HG13 VAL 29 3HG1 VAL 29 11.491 -3.338 0.352 222 HG21 VAL 29 3HG2 VAL 29 9.643 -1.039 2.064 223 HG22 VAL 29 1HG2 VAL 29 11.333 -1.093 2.564 224 HG23 VAL 29 2HG2 VAL 29 10.903 -1.385 0.879 225 H LEU 30 H LEU 30 9.397 -4.291 5.069 226 HA LEU 30 HA LEU 30 9.840 -7.007 4.371 227 HB2 LEU 30 2HB LEU 30 9.507 -5.461 6.876 228 HB3 LEU 30 3HB LEU 30 9.227 -7.199 6.962 229 HG LEU 30 HG LEU 30 11.774 -5.951 5.939 230 HD11 LEU 30 1HD1 LEU 30 12.104 -7.303 8.419 231 HD12 LEU 30 2HD1 LEU 30 10.829 -6.098 8.600 232 HD13 LEU 30 3HD1 LEU 30 12.426 -5.614 8.027 233 HD21 LEU 30 3HD2 LEU 30 12.669 -8.214 6.279 234 HD22 LEU 30 1HD2 LEU 30 11.360 -8.189 5.097 235 HD23 LEU 30 2HD2 LEU 30 11.059 -8.772 6.735 236 H ALA 31 H ALA 31 7.007 -5.145 5.170 237 HA ALA 31 HA ALA 31 5.333 -7.471 5.559 238 HB1 ALA 31 1HB ALA 31 5.171 -4.780 6.279 239 HB2 ALA 31 2HB ALA 31 3.864 -5.033 5.123 240 HB3 ALA 31 3HB ALA 31 3.969 -6.038 6.568 241 H ALA 32 H ALA 32 6.159 -5.266 2.986 242 HA ALA 32 HA ALA 32 4.013 -6.179 1.265 243 HB1 ALA 32 1HB ALA 32 5.650 -3.896 1.376 244 HB2 ALA 32 2HB ALA 32 6.021 -4.707 -0.147 245 HB3 ALA 32 3HB ALA 32 4.359 -4.250 0.227 246 H ASN 33 H ASN 33 7.359 -6.890 1.855 247 HA ASN 33 HA ASN 33 7.282 -8.866 -0.327 248 HB2 ASN 33 2HB ASN 33 9.337 -6.829 0.324 249 HB3 ASN 33 3HB ASN 33 9.935 -8.427 -0.111 250 HD21 ASN 33 1HD2 ASN 33 7.356 -6.246 -1.211 251 HD22 ASN 33 2HD2 ASN 33 7.737 -6.371 -2.892 252 HA PRO 34 HA PRO 34 8.019 -10.967 3.745 253 HB2 PRO 34 2HB PRO 34 6.268 -12.989 3.280 254 HB3 PRO 34 3HB PRO 34 5.783 -11.441 3.983 255 HG2 PRO 34 2HG PRO 34 5.550 -12.393 1.154 256 HG3 PRO 34 3HG PRO 34 4.369 -11.510 2.138 257 HD2 PRO 34 2HD PRO 34 5.925 -10.291 0.287 258 HD3 PRO 34 3HD PRO 34 5.397 -9.479 1.775 259 H GLY 35 H GLY 35 9.087 -12.950 4.131 260 HA2 GLY 35 2HA GLY 35 10.221 -14.905 3.581 261 HA3 GLY 35 3HA GLY 35 9.647 -14.740 1.928 262 H LEU 36 H LEU 36 10.848 -11.804 2.606 263 HA LEU 36 HA LEU 36 13.289 -12.329 1.152 264 HB2 LEU 36 2HB LEU 36 11.625 -10.291 1.018 265 HB3 LEU 36 3HB LEU 36 12.646 -9.661 2.310 266 HG LEU 36 HG LEU 36 13.303 -8.795 0.118 267 HD11 LEU 36 1HD1 LEU 36 15.466 -8.785 0.692 268 HD12 LEU 36 2HD1 LEU 36 15.588 -10.544 0.653 269 HD13 LEU 36 3HD1 LEU 36 14.940 -9.736 2.081 270 HD21 LEU 36 3HD2 LEU 36 14.302 -11.478 -0.699 271 HD22 LEU 36 1HD2 LEU 36 13.866 -10.085 -1.688 272 HD23 LEU 36 2HD2 LEU 36 12.604 -11.085 -0.969 273 H ALA 37 H ALA 37 12.339 -11.435 4.412 274 HA ALA 37 HA ALA 37 14.889 -10.746 5.392 275 HB1 ALA 37 1HB ALA 37 13.389 -11.891 7.496 276 HB2 ALA 37 2HB ALA 37 13.635 -10.183 7.132 277 HB3 ALA 37 3HB ALA 37 12.258 -11.042 6.442 278 H GLU 38 H GLU 38 13.396 -13.797 4.732 279 HA GLU 38 HA GLU 38 15.321 -15.284 6.325 280 HB2 GLU 38 2HB GLU 38 14.096 -17.262 5.631 281 HB3 GLU 38 3HB GLU 38 12.975 -16.039 6.210 282 HG2 GLU 38 2HG GLU 38 12.193 -15.565 4.068 283 HG3 GLU 38 3HG GLU 38 13.580 -16.329 3.294 284 H LEU 39 H LEU 39 15.238 -13.893 3.300 285 HA LEU 39 HA LEU 39 16.351 -15.733 1.568 286 HB2 LEU 39 2HB LEU 39 15.641 -13.267 1.215 287 HB3 LEU 39 3HB LEU 39 17.314 -12.899 1.629 288 HG LEU 39 HG LEU 39 16.937 -12.949 -0.796 289 HD11 LEU 39 1HD1 LEU 39 18.850 -14.232 -1.360 290 HD12 LEU 39 2HD1 LEU 39 18.644 -15.281 0.043 291 HD13 LEU 39 3HD1 LEU 39 19.121 -13.598 0.264 292 HD21 LEU 39 3HD2 LEU 39 16.363 -14.956 -1.952 293 HD22 LEU 39 1HD2 LEU 39 15.139 -14.687 -0.710 294 HD23 LEU 39 2HD2 LEU 39 16.399 -15.895 -0.459 295 H GLY 40 H GLY 40 18.101 -13.471 3.702 296 HA2 GLY 40 2HA GLY 40 19.980 -15.012 4.797 297 HA3 GLY 40 3HA GLY 40 20.601 -14.859 3.160 298 H ALA 41 H ALA 41 22.457 -13.782 3.920 299 HA ALA 41 HA ALA 41 22.297 -11.387 5.462 300 HB1 ALA 41 1HB ALA 41 24.467 -12.821 4.001 301 HB2 ALA 41 2HB ALA 41 24.734 -11.164 4.545 302 HB3 ALA 41 3HB ALA 41 24.335 -12.423 5.715 303 H VAL 42 H VAL 42 23.091 -11.991 2.037 304 HA VAL 42 HA VAL 42 22.232 -9.230 1.457 305 HB VAL 42 HB VAL 42 24.684 -9.580 1.169 306 HG11 VAL 42 1HG1 VAL 42 23.878 -11.389 -1.104 307 HG12 VAL 42 2HG1 VAL 42 25.519 -10.948 -0.627 308 HG13 VAL 42 3HG1 VAL 42 24.526 -11.945 0.438 309 HG21 VAL 42 3HG2 VAL 42 22.858 -8.742 -1.018 310 HG22 VAL 42 1HG2 VAL 42 24.023 -7.798 -0.090 311 HG23 VAL 42 2HG2 VAL 42 24.579 -8.863 -1.381 312 H LEU 43 H LEU 43 20.757 -8.942 -0.120 313 HA LEU 43 HA LEU 43 19.204 -11.086 -1.033 314 HB2 LEU 43 2HB LEU 43 19.419 -8.197 -1.719 315 HB3 LEU 43 3HB LEU 43 18.485 -9.248 -2.782 316 HG LEU 43 HG LEU 43 16.987 -9.813 -0.971 317 HD11 LEU 43 1HD1 LEU 43 18.090 -9.871 1.016 318 HD12 LEU 43 2HD1 LEU 43 17.359 -8.272 1.152 319 HD13 LEU 43 3HD1 LEU 43 19.044 -8.431 0.659 320 HD21 LEU 43 3HD2 LEU 43 16.555 -7.171 -0.351 321 HD22 LEU 43 1HD2 LEU 43 15.938 -8.012 -1.773 322 HD23 LEU 43 2HD2 LEU 43 17.432 -7.080 -1.879 323 HA PRO 44 HA PRO 44 21.178 -12.604 -4.645 324 HB2 PRO 44 2HB PRO 44 19.085 -13.024 -6.321 325 HB3 PRO 44 3HB PRO 44 19.397 -14.032 -4.903 326 HG2 PRO 44 2HG PRO 44 17.463 -11.770 -5.231 327 HG3 PRO 44 3HG PRO 44 17.226 -13.338 -4.438 328 HD2 PRO 44 2HD PRO 44 17.729 -11.066 -3.053 329 HD3 PRO 44 3HD PRO 44 18.282 -12.662 -2.504 330 H HIS 45 H HIS 45 20.833 -12.362 -7.243 331 HA HIS 45 HA HIS 45 20.810 -9.467 -7.794 332 HB2 HIS 45 2HB HIS 45 22.493 -10.187 -9.668 333 HB3 HIS 45 3HB HIS 45 23.065 -9.949 -8.019 334 HD1 HIS 45 HD1 HIS 45 24.889 -11.626 -7.804 335 HD2 HIS 45 HD2 HIS 45 21.453 -13.253 -9.479 336 HE1 HIS 45 HE1 HIS 45 25.339 -14.093 -8.000 337 H GLY 46 H GLY 46 18.594 -9.675 -8.425 338 HA2 GLY 46 2HA GLY 46 17.882 -9.579 -10.953 339 HA3 GLY 46 3HA GLY 46 18.057 -11.320 -10.786 340 H THR 47 H THR 47 17.120 -10.757 -7.857 341 HA THR 47 HA THR 47 14.388 -11.446 -8.350 342 HB THR 47 HB THR 47 15.794 -10.784 -5.755 343 HG1 THR 47 HG1 THR 47 15.145 -13.252 -7.027 344 HG21 THR 47 3HG2 THR 47 13.576 -12.459 -5.320 345 HG22 THR 47 1HG2 THR 47 13.006 -11.145 -6.347 346 HG23 THR 47 2HG2 THR 47 13.779 -10.786 -4.803 347 H ALA 48 H ALA 48 12.691 -10.140 -8.540 348 HA ALA 48 HA ALA 48 12.946 -7.330 -8.560 349 HB1 ALA 48 1HB ALA 48 10.678 -9.243 -8.797 350 HB2 ALA 48 2HB ALA 48 10.325 -7.537 -8.522 351 HB3 ALA 48 3HB ALA 48 11.256 -8.028 -9.937 352 H VAL 49 H VAL 49 11.897 -5.773 -7.203 353 HA VAL 49 HA VAL 49 11.025 -6.649 -4.567 354 HB VAL 49 HB VAL 49 13.332 -4.727 -4.905 355 HG11 VAL 49 1HG1 VAL 49 13.227 -5.317 -2.265 356 HG12 VAL 49 2HG1 VAL 49 12.483 -3.892 -2.994 357 HG13 VAL 49 3HG1 VAL 49 11.512 -5.330 -2.676 358 HG21 VAL 49 3HG2 VAL 49 14.515 -6.517 -3.525 359 HG22 VAL 49 1HG2 VAL 49 13.181 -7.579 -3.975 360 HG23 VAL 49 2HG2 VAL 49 14.213 -6.882 -5.223 361 H GLU 50 H GLU 50 9.257 -5.547 -4.069 362 HA GLU 50 HA GLU 50 8.584 -3.135 -5.520 363 HB2 GLU 50 2HB GLU 50 6.909 -4.921 -5.065 364 HB3 GLU 50 3HB GLU 50 7.032 -4.556 -3.350 365 HG2 GLU 50 2HG GLU 50 6.407 -2.300 -5.154 366 HG3 GLU 50 3HG GLU 50 5.154 -3.520 -4.928 367 H LEU 51 H LEU 51 8.136 -1.118 -4.588 368 HA LEU 51 HA LEU 51 9.363 -0.702 -1.942 369 HB2 LEU 51 2HB LEU 51 9.456 0.876 -4.466 370 HB3 LEU 51 3HB LEU 51 9.547 1.732 -2.928 371 HG LEU 51 HG LEU 51 11.766 1.365 -3.810 372 HD11 LEU 51 1HD1 LEU 51 12.446 1.144 -1.715 373 HD12 LEU 51 2HD1 LEU 51 12.138 -0.591 -1.783 374 HD13 LEU 51 3HD1 LEU 51 10.862 0.511 -1.266 375 HD21 LEU 51 3HD2 LEU 51 11.134 -0.664 -5.145 376 HD22 LEU 51 1HD2 LEU 51 11.232 -1.594 -3.649 377 HD23 LEU 51 2HD2 LEU 51 12.667 -0.785 -4.279 378 HA PRO 52 HA PRO 52 4.989 0.384 -1.258 379 HB2 PRO 52 2HB PRO 52 5.073 -0.116 1.409 380 HB3 PRO 52 3HB PRO 52 4.834 -1.384 0.201 381 HG2 PRO 52 2HG PRO 52 7.335 -0.586 1.640 382 HG3 PRO 52 3HG PRO 52 6.716 -2.210 1.289 383 HD2 PRO 52 2HD PRO 52 8.674 -1.049 -0.177 384 HD3 PRO 52 3HD PRO 52 7.495 -2.175 -0.880 385 H ASP 53 H ASP 53 4.002 2.077 -0.015 386 HA ASP 53 HA ASP 53 3.873 4.166 0.876 387 HB2 ASP 53 2HB ASP 53 5.328 2.905 2.652 388 HB3 ASP 53 3HB ASP 53 6.633 3.903 2.016 389 H VAL 54 H VAL 54 4.779 3.921 -1.760 390 HA VAL 54 HA VAL 54 6.567 6.255 -1.951 391 HB VAL 54 HB VAL 54 6.528 3.865 -3.799 392 HG11 VAL 54 1HG1 VAL 54 8.710 5.298 -4.506 393 HG12 VAL 54 2HG1 VAL 54 7.145 5.414 -5.314 394 HG13 VAL 54 3HG1 VAL 54 7.592 6.593 -4.080 395 HG21 VAL 54 3HG2 VAL 54 7.687 3.323 -1.776 396 HG22 VAL 54 1HG2 VAL 54 8.891 3.617 -3.031 397 HG23 VAL 54 2HG2 VAL 54 8.569 4.849 -1.811 398 H GLN 55 H GLN 55 6.077 7.782 -3.498 399 HA GLN 55 HA GLN 55 3.605 7.350 -5.036 400 HB2 GLN 55 2HB GLN 55 3.009 9.712 -4.631 401 HB3 GLN 55 3HB GLN 55 3.068 8.772 -3.146 402 HG2 GLN 55 2HG GLN 55 5.179 9.720 -2.550 403 HG3 GLN 55 3HG GLN 55 5.314 10.521 -4.114 404 HE21 GLN 55 1HE2 GLN 55 5.522 12.541 -3.147 405 HE22 GLN 55 2HE2 GLN 55 4.181 13.356 -2.426 406 H THR 56 H THR 56 3.374 9.139 -6.761 407 HA THR 56 HA THR 56 4.141 10.106 -8.675 408 HB THR 56 HB THR 56 6.894 10.363 -7.513 409 HG1 THR 56 HG1 THR 56 4.846 12.217 -6.903 410 HG21 THR 56 3HG2 THR 56 5.791 11.243 -9.837 411 HG22 THR 56 1HG2 THR 56 7.159 12.009 -9.033 412 HG23 THR 56 2HG2 THR 56 5.529 12.634 -8.787 413 H ALA 57 H ALA 57 4.106 7.364 -8.650 414 HA ALA 57 HA ALA 57 6.381 6.744 -10.400 415 HB1 ALA 57 1HB ALA 57 7.173 5.489 -8.698 416 HB2 ALA 57 2HB ALA 57 5.594 5.349 -7.922 417 HB3 ALA 57 3HB ALA 57 5.993 4.325 -9.301 418 HA PRO 58 HA PRO 58 3.445 5.052 -13.186 419 HB2 PRO 58 2HB PRO 58 4.770 2.912 -14.204 420 HB3 PRO 58 3HB PRO 58 5.196 4.581 -14.597 421 HG2 PRO 58 2HG PRO 58 6.459 2.719 -12.622 422 HG3 PRO 58 3HG PRO 58 7.234 3.827 -13.769 423 HD2 PRO 58 2HD PRO 58 6.941 4.419 -11.143 424 HD3 PRO 58 3HD PRO 58 6.909 5.661 -12.412 425 H VAL 59 H VAL 59 2.198 3.083 -13.760 426 HA VAL 59 HA VAL 59 2.018 1.173 -11.525 427 HB VAL 59 HB VAL 59 -0.358 2.318 -12.997 428 HG11 VAL 59 1HG1 VAL 59 -1.474 1.276 -10.882 429 HG12 VAL 59 2HG1 VAL 59 -1.048 0.247 -12.251 430 HG13 VAL 59 3HG1 VAL 59 -0.009 0.296 -10.826 431 HG21 VAL 59 3HG2 VAL 59 -0.048 4.122 -11.707 432 HG22 VAL 59 1HG2 VAL 59 -0.584 3.096 -10.376 433 HG23 VAL 59 2HG2 VAL 59 1.139 3.302 -10.692 434 H ALA 60 H ALA 60 2.169 -0.873 -12.150 435 HA ALA 60 HA ALA 60 2.242 -1.556 -14.939 436 HB1 ALA 60 1HB ALA 60 2.592 -3.129 -12.406 437 HB2 ALA 60 2HB ALA 60 2.562 -3.904 -13.991 438 HB3 ALA 60 3HB ALA 60 3.800 -2.705 -13.620 439 H GLU 61 H GLU 61 0.707 -2.502 -16.154 440 HA GLU 61 HA GLU 61 -1.857 -3.114 -14.845 441 HB2 GLU 61 2HB GLU 61 -2.815 -2.800 -17.162 442 HB3 GLU 61 3HB GLU 61 -2.168 -1.352 -16.405 443 HG2 GLU 61 2HG GLU 61 -0.201 -1.437 -17.744 444 HG3 GLU 61 3HG GLU 61 -0.631 -3.027 -18.370 445 H THR 62 H THR 62 0.319 -4.979 -14.940 446 HA THR 62 HA THR 62 -0.912 -7.068 -16.614 447 HB THR 62 HB THR 62 1.405 -8.084 -16.779 448 HG1 THR 62 HG1 THR 62 2.591 -6.971 -15.299 449 HG21 THR 62 3HG2 THR 62 1.934 -6.895 -18.736 450 HG22 THR 62 1HG2 THR 62 1.265 -5.390 -18.107 451 HG23 THR 62 2HG2 THR 62 0.189 -6.710 -18.567 452 H VAL 63 H VAL 63 -2.116 -7.763 -14.794 453 HA VAL 63 HA VAL 63 -0.579 -9.481 -13.007 454 HB VAL 63 HB VAL 63 -2.586 -7.475 -11.968 455 HG11 VAL 63 1HG1 VAL 63 -1.525 -8.431 -9.752 456 HG12 VAL 63 2HG1 VAL 63 -2.891 -9.230 -10.532 457 HG13 VAL 63 3HG1 VAL 63 -1.255 -9.848 -10.765 458 HG21 VAL 63 3HG2 VAL 63 -0.540 -6.703 -10.652 459 HG22 VAL 63 1HG2 VAL 63 0.410 -7.622 -11.820 460 HG23 VAL 63 2HG2 VAL 63 -0.600 -6.283 -12.364 461 H ASN 64 H ASN 64 -1.500 -11.418 -12.874 462 HA ASN 64 HA ASN 64 -4.337 -11.665 -13.621 463 HB2 ASN 64 2HB ASN 64 -3.712 -14.072 -14.132 464 HB3 ASN 64 3HB ASN 64 -3.017 -12.857 -15.200 465 HD21 ASN 64 1HD2 ASN 64 -0.812 -12.351 -15.010 466 HD22 ASN 64 2HD2 ASN 64 0.297 -13.438 -14.253 467 H LEU 65 H LEU 65 -4.283 -10.952 -11.152 468 HA LEU 65 HA LEU 65 -4.738 -13.421 -9.638 469 HB2 LEU 65 2HB LEU 65 -2.786 -11.324 -9.065 470 HB3 LEU 65 3HB LEU 65 -3.852 -11.685 -7.708 471 HG LEU 65 HG LEU 65 -1.815 -12.962 -7.515 472 HD11 LEU 65 1HD1 LEU 65 -4.258 -13.953 -7.169 473 HD12 LEU 65 2HD1 LEU 65 -2.801 -14.909 -6.899 474 HD13 LEU 65 3HD1 LEU 65 -3.693 -15.069 -8.412 475 HD21 LEU 65 3HD2 LEU 65 -1.834 -13.037 -10.255 476 HD22 LEU 65 1HD2 LEU 65 -2.255 -14.694 -9.822 477 HD23 LEU 65 2HD2 LEU 65 -0.766 -13.975 -9.209 478 H TRP 66 H TRP 66 -5.749 -12.664 -7.376 479 HA TRP 66 HA TRP 66 -7.870 -10.723 -8.028 480 HB2 TRP 66 2HB TRP 66 -8.110 -13.208 -6.318 481 HB3 TRP 66 3HB TRP 66 -9.401 -12.056 -6.651 482 HD1 TRP 66 HD1 TRP 66 -9.397 -11.730 -9.679 483 HE1 TRP 66 HE1 TRP 66 -9.858 -13.696 -11.274 484 HE3 TRP 66 HE3 TRP 66 -8.242 -15.603 -6.548 485 HZ2 TRP 66 HZ2 TRP 66 -9.748 -16.516 -11.213 486 HZ3 TRP 66 HZ3 TRP 66 -8.447 -17.904 -7.393 487 HH2 TRP 66 HH2 TRP 66 -9.185 -18.349 -9.677 488 H GLU 67 H GLU 67 -7.181 -8.929 -6.983 489 HA GLU 67 HA GLU 67 -6.672 -9.185 -4.092 490 HB2 GLU 67 2HB GLU 67 -5.310 -7.518 -6.173 491 HB3 GLU 67 3HB GLU 67 -5.381 -6.943 -4.513 492 HG2 GLU 67 2HG GLU 67 -3.403 -8.043 -4.436 493 HG3 GLU 67 3HG GLU 67 -4.479 -9.372 -4.009 494 H VAL 68 H VAL 68 -9.188 -8.708 -5.575 495 HA VAL 68 HA VAL 68 -9.822 -5.965 -4.740 496 HB VAL 68 HB VAL 68 -10.401 -6.574 -7.059 497 HG11 VAL 68 1HG1 VAL 68 -12.673 -8.259 -6.264 498 HG12 VAL 68 2HG1 VAL 68 -11.585 -8.394 -7.647 499 HG13 VAL 68 3HG1 VAL 68 -11.086 -9.001 -6.068 500 HG21 VAL 68 3HG2 VAL 68 -11.812 -5.055 -5.411 501 HG22 VAL 68 1HG2 VAL 68 -12.347 -5.382 -7.059 502 HG23 VAL 68 2HG2 VAL 68 -13.035 -6.289 -5.712 503 H GLU 69 H GLU 69 -10.526 -9.311 -4.098 504 HA GLU 69 HA GLU 69 -12.597 -8.534 -2.162 505 HB2 GLU 69 2HB GLU 69 -12.990 -10.326 -3.984 506 HB3 GLU 69 3HB GLU 69 -11.982 -11.360 -2.981 507 HG2 GLU 69 2HG GLU 69 -13.534 -11.476 -1.295 508 HG3 GLU 69 3HG GLU 69 -14.297 -9.953 -1.746 509 H HIS 70 H HIS 70 -10.024 -7.933 -1.421 510 HA HIS 70 HA HIS 70 -9.409 -10.000 0.589 511 HB2 HIS 70 2HB HIS 70 -7.626 -8.161 -0.976 512 HB3 HIS 70 3HB HIS 70 -7.104 -8.779 0.588 513 HD1 HIS 70 HD1 HIS 70 -5.379 -10.462 -0.041 514 HD2 HIS 70 HD2 HIS 70 -8.865 -10.880 -2.262 515 HE1 HIS 70 HE1 HIS 70 -5.071 -12.565 -1.386 516 H HIS 71 H HIS 71 -10.974 -9.045 2.006 517 HA HIS 71 HA HIS 71 -11.657 -7.701 3.711 518 HB2 HIS 71 2HB HIS 71 -9.183 -8.313 4.314 519 HB3 HIS 71 3HB HIS 71 -8.874 -6.616 3.959 520 HD1 HIS 71 HD1 HIS 71 -8.857 -5.280 6.025 521 HD2 HIS 71 HD2 HIS 71 -11.608 -8.387 6.234 522 HE1 HIS 71 HE1 HIS 71 -9.932 -5.075 8.289 Start of MODEL 4 1 H1 MET 1 H MET 1 2.410 2.308 3.651 2 HA MET 1 HA MET 1 1.781 1.638 0.857 3 HB2 MET 1 2HB MET 1 2.675 4.054 1.401 4 HB3 MET 1 3HB MET 1 4.227 3.233 1.500 5 HG2 MET 1 2HG MET 1 2.459 2.874 -0.884 6 HG3 MET 1 3HG MET 1 3.501 4.287 -0.733 7 HE1 MET 1 3HE MET 1 3.698 0.797 -2.574 8 HE2 MET 1 1HE MET 1 4.594 -0.067 -1.324 9 HE3 MET 1 2HE MET 1 3.032 0.660 -0.946 10 H LYS 2 H LYS 2 2.096 -0.565 1.477 11 HA LYS 2 HA LYS 2 4.943 -1.276 1.710 12 HB2 LYS 2 2HB LYS 2 4.405 -3.105 3.189 13 HB3 LYS 2 3HB LYS 2 3.762 -1.616 3.870 14 HG2 LYS 2 2HG LYS 2 1.570 -2.327 2.664 15 HG3 LYS 2 3HG LYS 2 2.312 -3.929 2.669 16 HD2 LYS 2 2HD LYS 2 2.707 -3.497 5.179 17 HD3 LYS 2 3HD LYS 2 1.510 -2.213 4.995 18 HE2 LYS 2 2HE LYS 2 1.129 -5.152 4.437 19 HE3 LYS 2 3HE LYS 2 0.411 -4.219 5.750 20 HZ1 LYS 2 3HZ LYS 2 -0.468 -4.514 3.052 21 HZ2 LYS 2 1HZ LYS 2 -0.313 -2.883 3.476 22 HZ3 LYS 2 2HZ LYS 2 -1.301 -3.905 4.393 23 H THR 3 H THR 3 5.574 -3.214 0.686 24 HA THR 3 HA THR 3 3.588 -4.494 -1.049 25 HB THR 3 HB THR 3 4.653 -2.800 -2.449 26 HG1 THR 3 HG1 THR 3 4.595 -4.251 -3.979 27 HG21 THR 3 3HG2 THR 3 6.858 -2.358 -2.487 28 HG22 THR 3 1HG2 THR 3 7.298 -4.065 -2.470 29 HG23 THR 3 2HG2 THR 3 6.902 -3.242 -0.961 30 H PHE 4 H PHE 4 4.385 -6.534 -1.997 31 HA PHE 4 HA PHE 4 5.739 -8.087 -0.004 32 HB2 PHE 4 2HB PHE 4 4.986 -9.001 -2.779 33 HB3 PHE 4 3HB PHE 4 5.197 -9.988 -1.337 34 HD1 PHE 4 HD1 PHE 4 3.645 -8.721 0.689 35 HD2 PHE 4 HD2 PHE 4 2.801 -9.100 -3.465 36 HE1 PHE 4 HE1 PHE 4 1.237 -8.540 1.165 37 HE2 PHE 4 HE2 PHE 4 0.393 -8.919 -2.997 38 HZ PHE 4 HZ PHE 4 -0.392 -8.638 -0.679 39 H ALA 5 H ALA 5 7.725 -9.097 -0.130 40 HA ALA 5 HA ALA 5 9.604 -7.882 -2.012 41 HB1 ALA 5 1HB ALA 5 10.254 -9.619 0.360 42 HB2 ALA 5 2HB ALA 5 11.339 -8.548 -0.527 43 HB3 ALA 5 3HB ALA 5 10.043 -7.871 0.458 44 H LEU 6 H LEU 6 9.595 -8.971 -3.900 45 HA LEU 6 HA LEU 6 9.653 -11.900 -3.850 46 HB2 LEU 6 2HB LEU 6 9.144 -9.909 -6.046 47 HB3 LEU 6 3HB LEU 6 9.350 -11.633 -6.346 48 HG LEU 6 HG LEU 6 7.354 -11.336 -4.350 49 HD11 LEU 6 1HD1 LEU 6 7.074 -9.042 -5.113 50 HD12 LEU 6 2HD1 LEU 6 5.685 -10.028 -5.566 51 HD13 LEU 6 3HD1 LEU 6 6.897 -9.603 -6.776 52 HD21 LEU 6 3HD2 LEU 6 7.034 -12.038 -7.263 53 HD22 LEU 6 1HD2 LEU 6 6.008 -12.535 -5.917 54 HD23 LEU 6 2HD2 LEU 6 7.657 -13.149 -6.042 55 H GLN 7 H GLN 7 10.967 -12.644 -6.011 56 HA GLN 7 HA GLN 7 13.643 -12.567 -5.344 57 HB2 GLN 7 2HB GLN 7 12.275 -14.017 -7.083 58 HB3 GLN 7 3HB GLN 7 12.903 -12.835 -8.223 59 HG2 GLN 7 2HG GLN 7 15.157 -13.399 -7.672 60 HG3 GLN 7 3HG GLN 7 14.625 -14.432 -6.346 61 HE21 GLN 7 1HE2 GLN 7 16.298 -15.457 -8.191 62 HE22 GLN 7 2HE2 GLN 7 15.472 -16.591 -9.198 63 H GLY 8 H GLY 8 15.066 -10.964 -5.339 64 HA2 GLY 8 2HA GLY 8 16.278 -9.137 -6.043 65 HA3 GLY 8 3HA GLY 8 15.459 -9.262 -7.593 66 H ASP 9 H ASP 9 13.539 -9.012 -4.734 67 HA ASP 9 HA ASP 9 13.053 -6.163 -5.305 68 HB2 ASP 9 2HB ASP 9 11.102 -8.409 -4.966 69 HB3 ASP 9 3HB ASP 9 10.643 -6.785 -4.461 70 H THR 10 H THR 10 14.729 -7.567 -3.284 71 HA THR 10 HA THR 10 13.446 -7.351 -0.752 72 HB THR 10 HB THR 10 15.574 -7.765 0.232 73 HG1 THR 10 HG1 THR 10 17.403 -7.112 -0.652 74 HG21 THR 10 3HG2 THR 10 16.426 -9.684 -1.098 75 HG22 THR 10 1HG2 THR 10 15.379 -9.185 -2.426 76 HG23 THR 10 2HG2 THR 10 14.674 -9.702 -0.894 77 H LEU 11 H LEU 11 14.727 -5.934 0.971 78 HA LEU 11 HA LEU 11 13.949 -3.316 0.667 79 HB2 LEU 11 2HB LEU 11 16.291 -4.280 2.302 80 HB3 LEU 11 3HB LEU 11 15.394 -2.782 2.543 81 HG LEU 11 HG LEU 11 14.347 -5.581 2.959 82 HD11 LEU 11 1HD1 LEU 11 14.691 -5.320 5.178 83 HD12 LEU 11 2HD1 LEU 11 14.450 -3.575 5.126 84 HD13 LEU 11 3HD1 LEU 11 15.988 -4.268 4.610 85 HD21 LEU 11 3HD2 LEU 11 12.549 -3.906 4.109 86 HD22 LEU 11 1HD2 LEU 11 12.373 -4.613 2.502 87 HD23 LEU 11 2HD2 LEU 11 13.015 -2.980 2.682 88 H ASP 12 H ASP 12 17.162 -4.695 0.047 89 HA ASP 12 HA ASP 12 18.526 -2.374 -0.604 90 HB2 ASP 12 2HB ASP 12 19.768 -4.391 -0.386 91 HB3 ASP 12 3HB ASP 12 18.816 -5.195 -1.632 92 H ALA 13 H ALA 13 16.249 -4.233 -2.498 93 HA ALA 13 HA ALA 13 16.791 -2.720 -4.915 94 HB1 ALA 13 1HB ALA 13 14.475 -4.197 -5.328 95 HB2 ALA 13 2HB ALA 13 16.114 -4.646 -5.799 96 HB3 ALA 13 3HB ALA 13 15.457 -5.199 -4.258 97 H ILE 14 H ILE 14 13.923 -3.296 -2.867 98 HA ILE 14 HA ILE 14 12.227 -1.439 -4.003 99 HB ILE 14 HB ILE 14 12.427 -2.255 -1.104 100 HG12 ILE 14 2HG1 ILE 14 10.472 -3.170 -3.216 101 HG13 ILE 14 3HG1 ILE 14 11.969 -4.024 -2.860 102 HG21 ILE 14 1HG2 ILE 14 11.240 -0.170 -1.218 103 HG22 ILE 14 2HG2 ILE 14 10.250 -0.758 -2.553 104 HG23 ILE 14 3HG2 ILE 14 10.077 -1.468 -0.948 105 HD11 ILE 14 3HD1 ILE 14 10.246 -3.448 -0.548 106 HD12 ILE 14 1HD1 ILE 14 9.609 -4.596 -1.725 107 HD13 ILE 14 2HD1 ILE 14 11.166 -4.897 -0.953 108 H CYS 15 H CYS 15 14.904 -0.931 -1.828 109 HA CYS 15 HA CYS 15 14.211 1.755 -1.129 110 HB2 CYS 15 2HB CYS 15 16.668 0.058 -0.802 111 HB3 CYS 15 3HB CYS 15 16.719 1.779 -0.442 112 HG CYS 15 HG CYS 15 14.275 1.235 1.267 113 H VAL 16 H VAL 16 16.082 0.231 -3.658 114 HA VAL 16 HA VAL 16 17.182 2.746 -4.592 115 HB VAL 16 HB VAL 16 17.324 -0.015 -5.811 116 HG11 VAL 16 1HG1 VAL 16 18.458 2.628 -6.616 117 HG12 VAL 16 2HG1 VAL 16 19.360 1.149 -6.955 118 HG13 VAL 16 3HG1 VAL 16 17.738 1.364 -7.612 119 HG21 VAL 16 3HG2 VAL 16 18.427 0.430 -3.538 120 HG22 VAL 16 1HG2 VAL 16 19.424 -0.269 -4.815 121 HG23 VAL 16 2HG2 VAL 16 19.554 1.448 -4.434 122 H ARG 17 H ARG 17 14.427 0.766 -5.176 123 HA ARG 17 HA ARG 17 13.878 1.907 -7.785 124 HB2 ARG 17 2HB ARG 17 12.210 0.331 -7.995 125 HB3 ARG 17 3HB ARG 17 13.305 -0.495 -6.895 126 HG2 ARG 17 2HG ARG 17 11.921 0.258 -4.999 127 HG3 ARG 17 3HG ARG 17 10.798 0.993 -6.145 128 HD2 ARG 17 2HD ARG 17 11.482 -1.930 -5.873 129 HD3 ARG 17 3HD ARG 17 9.944 -1.155 -5.494 130 HE ARG 17 HE ARG 17 10.856 -2.003 -8.067 131 HH11 ARG 17 1HH1 ARG 17 8.860 0.314 -6.404 132 HH12 ARG 17 2HH1 ARG 17 7.811 0.578 -7.757 133 HH21 ARG 17 1HH2 ARG 17 9.483 -1.664 -9.857 134 HH22 ARG 17 2HH2 ARG 17 8.166 -0.548 -9.721 135 H TYR 18 H TYR 18 13.234 2.630 -4.514 136 HA TYR 18 HA TYR 18 11.021 4.418 -5.259 137 HB2 TYR 18 2HB TYR 18 11.715 2.937 -2.779 138 HB3 TYR 18 3HB TYR 18 10.969 4.519 -2.580 139 HD1 TYR 18 HD1 TYR 18 8.673 4.910 -3.285 140 HD2 TYR 18 HD2 TYR 18 10.478 1.084 -3.743 141 HE1 TYR 18 HE1 TYR 18 6.456 3.917 -3.668 142 HE2 TYR 18 HE2 TYR 18 8.266 0.081 -4.128 143 HH TYR 18 HH TYR 18 5.540 1.855 -4.839 144 H TYR 19 H TYR 19 13.712 4.390 -2.914 145 HA TYR 19 HA TYR 19 13.876 7.286 -3.049 146 HB2 TYR 19 2HB TYR 19 15.719 5.493 -1.483 147 HB3 TYR 19 3HB TYR 19 15.284 7.168 -1.159 148 HD1 TYR 19 HD2 TYR 19 12.918 7.671 -0.400 149 HD2 TYR 19 HD1 TYR 19 14.496 3.721 -0.535 150 HE1 TYR 19 HE2 TYR 19 11.150 6.918 1.135 151 HE2 TYR 19 HE1 TYR 19 12.730 2.958 0.998 152 HH TYR 19 HH TYR 19 10.982 3.542 2.231 153 H GLY 20 H GLY 20 15.738 4.464 -4.022 154 HA2 GLY 20 2HA GLY 20 17.204 4.413 -5.863 155 HA3 GLY 20 3HA GLY 20 17.301 6.167 -5.806 156 H ARG 21 H ARG 21 17.668 4.541 -2.812 157 HA ARG 21 HA ARG 21 20.486 4.114 -2.949 158 HB2 ARG 21 2HB ARG 21 21.189 5.889 -1.434 159 HB3 ARG 21 3HB ARG 21 20.468 6.571 -2.885 160 HG2 ARG 21 2HG ARG 21 18.780 6.146 -0.463 161 HG3 ARG 21 3HG ARG 21 19.869 7.532 -0.545 162 HD2 ARG 21 2HD ARG 21 18.641 7.581 -2.998 163 HD3 ARG 21 3HD ARG 21 17.348 7.036 -1.931 164 HE ARG 21 HE ARG 21 18.433 9.656 -2.085 165 HH11 ARG 21 1HH1 ARG 21 17.109 7.332 0.143 166 HH12 ARG 21 2HH1 ARG 21 16.541 8.530 1.259 167 HH21 ARG 21 1HH2 ARG 21 17.690 11.243 -0.624 168 HH22 ARG 21 2HH2 ARG 21 16.871 10.754 0.821 169 H THR 22 H THR 22 21.388 3.456 -0.852 170 HA THR 22 HA THR 22 19.289 2.359 0.903 171 HB THR 22 HB THR 22 21.162 0.697 1.549 172 HG1 THR 22 HG1 THR 22 22.923 1.551 0.523 173 HG21 THR 22 3HG2 THR 22 20.680 -0.650 -0.597 174 HG22 THR 22 1HG2 THR 22 19.654 0.711 -1.047 175 HG23 THR 22 2HG2 THR 22 19.318 -0.198 0.426 176 H GLU 23 H GLU 23 22.167 4.262 0.728 177 HA GLU 23 HA GLU 23 22.981 4.130 3.423 178 HB2 GLU 23 2HB GLU 23 24.367 5.035 1.568 179 HB3 GLU 23 3HB GLU 23 23.309 6.437 1.497 180 HG2 GLU 23 2HG GLU 23 25.217 7.081 2.724 181 HG3 GLU 23 3HG GLU 23 23.907 6.890 3.888 182 H GLY 24 H GLY 24 21.741 4.629 5.106 183 HA2 GLY 24 2HA GLY 24 20.660 6.129 6.542 184 HA3 GLY 24 3HA GLY 24 20.467 7.243 5.197 185 H VAL 25 H VAL 25 19.475 4.513 3.859 186 HA VAL 25 HA VAL 25 16.672 5.022 4.567 187 HB VAL 25 HB VAL 25 17.710 3.451 2.208 188 HG11 VAL 25 1HG1 VAL 25 15.550 3.381 1.425 189 HG12 VAL 25 2HG1 VAL 25 15.277 3.267 3.165 190 HG13 VAL 25 3HG1 VAL 25 15.058 4.809 2.336 191 HG21 VAL 25 3HG2 VAL 25 17.142 5.517 0.901 192 HG22 VAL 25 1HG2 VAL 25 17.011 6.372 2.438 193 HG23 VAL 25 2HG2 VAL 25 18.552 5.666 1.950 194 H VAL 26 H VAL 26 18.827 2.277 3.834 195 HA VAL 26 HA VAL 26 17.158 0.201 4.550 196 HB VAL 26 HB VAL 26 19.198 -1.108 5.054 197 HG11 VAL 26 1HG1 VAL 26 20.334 -0.628 2.797 198 HG12 VAL 26 2HG1 VAL 26 18.635 -1.106 2.790 199 HG13 VAL 26 3HG1 VAL 26 19.076 0.589 2.585 200 HG21 VAL 26 3HG2 VAL 26 21.391 0.154 4.566 201 HG22 VAL 26 1HG2 VAL 26 20.461 1.607 4.932 202 HG23 VAL 26 2HG2 VAL 26 20.647 0.349 6.153 203 H GLU 27 H GLU 27 19.069 2.309 6.613 204 HA GLU 27 HA GLU 27 18.884 0.873 9.006 205 HB2 GLU 27 2HB GLU 27 20.088 3.182 8.274 206 HB3 GLU 27 3HB GLU 27 18.736 3.820 9.199 207 HG2 GLU 27 2HG GLU 27 20.288 1.619 10.421 208 HG3 GLU 27 3HG GLU 27 21.069 3.195 10.302 209 H THR 28 H THR 28 16.708 3.272 7.579 210 HA THR 28 HA THR 28 14.901 3.364 9.763 211 HB THR 28 HB THR 28 14.022 3.918 6.951 212 HG1 THR 28 HG1 THR 28 15.958 5.313 8.462 213 HG21 THR 28 3HG2 THR 28 12.456 5.246 7.912 214 HG22 THR 28 1HG2 THR 28 13.545 5.789 9.187 215 HG23 THR 28 2HG2 THR 28 12.757 4.216 9.312 216 H VAL 29 H VAL 29 14.602 1.804 6.565 217 HA VAL 29 HA VAL 29 12.208 0.490 6.958 218 HB VAL 29 HB VAL 29 14.564 -0.635 5.440 219 HG11 VAL 29 1HG1 VAL 29 12.942 -2.314 5.556 220 HG12 VAL 29 2HG1 VAL 29 11.611 -1.166 5.393 221 HG13 VAL 29 3HG1 VAL 29 12.638 -1.530 4.006 222 HG21 VAL 29 3HG2 VAL 29 14.359 1.451 4.481 223 HG22 VAL 29 1HG2 VAL 29 13.235 0.508 3.501 224 HG23 VAL 29 2HG2 VAL 29 12.626 1.542 4.793 225 H LEU 30 H LEU 30 15.458 -0.517 7.908 226 HA LEU 30 HA LEU 30 14.765 -3.111 8.783 227 HB2 LEU 30 2HB LEU 30 17.069 -1.292 9.066 228 HB3 LEU 30 3HB LEU 30 16.904 -2.522 10.317 229 HG LEU 30 HG LEU 30 16.955 -3.183 7.380 230 HD11 LEU 30 1HD1 LEU 30 19.366 -3.949 8.123 231 HD12 LEU 30 2HD1 LEU 30 19.181 -2.622 9.269 232 HD13 LEU 30 3HD1 LEU 30 19.059 -2.314 7.537 233 HD21 LEU 30 3HD2 LEU 30 17.989 -5.269 8.858 234 HD22 LEU 30 1HD2 LEU 30 16.356 -5.169 8.198 235 HD23 LEU 30 2HD2 LEU 30 16.668 -4.670 9.861 236 H ALA 31 H ALA 31 14.992 -0.005 10.469 237 HA ALA 31 HA ALA 31 14.493 -0.970 13.063 238 HB1 ALA 31 1HB ALA 31 14.584 1.634 11.738 239 HB2 ALA 31 2HB ALA 31 13.475 1.565 13.108 240 HB3 ALA 31 3HB ALA 31 15.174 1.146 13.327 241 H ALA 32 H ALA 32 12.350 -0.043 10.438 242 HA ALA 32 HA ALA 32 9.966 -0.162 12.038 243 HB1 ALA 32 1HB ALA 32 9.098 -0.331 9.457 244 HB2 ALA 32 2HB ALA 32 9.412 1.171 10.326 245 HB3 ALA 32 3HB ALA 32 10.648 0.488 9.270 246 H ASN 33 H ASN 33 11.804 -2.372 10.070 247 HA ASN 33 HA ASN 33 9.808 -4.467 10.630 248 HB2 ASN 33 2HB ASN 33 11.571 -4.100 8.204 249 HB3 ASN 33 3HB ASN 33 10.721 -5.602 8.556 250 HD21 ASN 33 1HD2 ASN 33 10.503 -2.459 7.276 251 HD22 ASN 33 2HD2 ASN 33 8.821 -2.485 6.878 252 HA PRO 34 HA PRO 34 13.805 -5.535 12.743 253 HB2 PRO 34 2HB PRO 34 12.642 -6.274 15.082 254 HB3 PRO 34 3HB PRO 34 13.097 -4.605 14.721 255 HG2 PRO 34 2HG PRO 34 10.414 -5.920 14.531 256 HG3 PRO 34 3HG PRO 34 10.833 -4.320 15.169 257 HD2 PRO 34 2HD PRO 34 9.798 -4.675 12.692 258 HD3 PRO 34 3HD PRO 34 10.944 -3.372 13.071 259 H GLY 35 H GLY 35 14.595 -7.604 13.245 260 HA2 GLY 35 2HA GLY 35 14.433 -9.933 13.571 261 HA3 GLY 35 3HA GLY 35 12.747 -9.862 13.079 262 H LEU 36 H LEU 36 13.623 -8.175 10.710 263 HA LEU 36 HA LEU 36 13.729 -10.240 8.815 264 HB2 LEU 36 2HB LEU 36 13.175 -7.627 8.689 265 HB3 LEU 36 3HB LEU 36 14.829 -7.590 8.082 266 HG LEU 36 HG LEU 36 13.187 -7.658 6.270 267 HD11 LEU 36 1HD1 LEU 36 15.491 -9.025 6.411 268 HD12 LEU 36 2HD1 LEU 36 14.469 -8.989 4.975 269 HD13 LEU 36 3HD1 LEU 36 14.375 -10.352 6.090 270 HD21 LEU 36 3HD2 LEU 36 12.010 -9.692 7.925 271 HD22 LEU 36 1HD2 LEU 36 12.319 -10.318 6.306 272 HD23 LEU 36 2HD2 LEU 36 11.341 -8.866 6.517 273 H ALA 37 H ALA 37 16.226 -8.557 10.544 274 HA ALA 37 HA ALA 37 18.417 -9.060 8.873 275 HB1 ALA 37 1HB ALA 37 19.360 -9.200 11.507 276 HB2 ALA 37 2HB ALA 37 19.330 -7.789 10.448 277 HB3 ALA 37 3HB ALA 37 17.983 -8.098 11.544 278 H GLU 38 H GLU 38 16.612 -11.149 10.954 279 HA GLU 38 HA GLU 38 18.673 -13.201 10.977 280 HB2 GLU 38 2HB GLU 38 15.931 -12.992 12.201 281 HB3 GLU 38 3HB GLU 38 16.828 -14.504 12.198 282 HG2 GLU 38 2HG GLU 38 17.725 -11.914 13.442 283 HG3 GLU 38 3HG GLU 38 17.103 -13.324 14.299 284 H LEU 39 H LEU 39 16.841 -12.177 8.621 285 HA LEU 39 HA LEU 39 15.515 -14.584 7.775 286 HB2 LEU 39 2HB LEU 39 14.697 -12.330 7.195 287 HB3 LEU 39 3HB LEU 39 16.144 -12.078 6.220 288 HG LEU 39 HG LEU 39 14.362 -14.389 5.596 289 HD11 LEU 39 1HD1 LEU 39 12.870 -13.093 4.319 290 HD12 LEU 39 2HD1 LEU 39 13.838 -11.633 4.519 291 HD13 LEU 39 3HD1 LEU 39 12.957 -12.300 5.892 292 HD21 LEU 39 3HD2 LEU 39 16.663 -13.229 4.489 293 HD22 LEU 39 1HD2 LEU 39 15.341 -12.838 3.389 294 HD23 LEU 39 2HD2 LEU 39 15.670 -14.519 3.808 295 H GLY 40 H GLY 40 18.330 -12.738 6.592 296 HA2 GLY 40 2HA GLY 40 20.285 -14.368 6.208 297 HA3 GLY 40 3HA GLY 40 19.164 -15.130 5.089 298 H ALA 41 H ALA 41 18.711 -14.153 3.122 299 HA ALA 41 HA ALA 41 20.294 -11.752 2.484 300 HB1 ALA 41 1HB ALA 41 21.556 -12.992 1.139 301 HB2 ALA 41 2HB ALA 41 20.517 -14.401 1.356 302 HB3 ALA 41 3HB ALA 41 20.134 -13.205 0.117 303 H VAL 42 H VAL 42 18.073 -13.793 0.601 304 HA VAL 42 HA VAL 42 16.538 -11.385 -0.067 305 HB VAL 42 HB VAL 42 16.338 -14.104 -1.362 306 HG11 VAL 42 1HG1 VAL 42 14.617 -13.218 -2.447 307 HG12 VAL 42 2HG1 VAL 42 14.840 -11.685 -1.601 308 HG13 VAL 42 3HG1 VAL 42 15.691 -11.990 -3.115 309 HG21 VAL 42 3HG2 VAL 42 18.320 -11.960 -1.682 310 HG22 VAL 42 1HG2 VAL 42 18.419 -13.671 -2.096 311 HG23 VAL 42 2HG2 VAL 42 17.609 -12.546 -3.186 312 H LEU 43 H LEU 43 14.344 -11.229 0.262 313 HA LEU 43 HA LEU 43 13.264 -12.926 2.338 314 HB2 LEU 43 2HB LEU 43 11.846 -10.698 0.902 315 HB3 LEU 43 3HB LEU 43 11.493 -11.359 2.498 316 HG LEU 43 HG LEU 43 13.995 -10.452 2.914 317 HD11 LEU 43 1HD1 LEU 43 14.624 -9.296 1.089 318 HD12 LEU 43 2HD1 LEU 43 13.630 -8.025 1.801 319 HD13 LEU 43 3HD1 LEU 43 12.967 -9.058 0.534 320 HD21 LEU 43 3HD2 LEU 43 11.394 -8.944 3.111 321 HD22 LEU 43 1HD2 LEU 43 12.899 -8.419 3.865 322 HD23 LEU 43 2HD2 LEU 43 12.155 -9.943 4.350 323 HA PRO 44 HA PRO 44 10.855 -15.609 -0.168 324 HB2 PRO 44 2HB PRO 44 8.715 -16.036 1.446 325 HB3 PRO 44 3HB PRO 44 10.311 -16.724 1.766 326 HG2 PRO 44 2HG PRO 44 9.020 -14.300 2.956 327 HG3 PRO 44 3HG PRO 44 9.960 -15.574 3.756 328 HD2 PRO 44 2HD PRO 44 11.019 -13.165 3.117 329 HD3 PRO 44 3HD PRO 44 11.978 -14.659 3.119 330 H HIS 45 H HIS 45 9.718 -15.107 -1.923 331 HA HIS 45 HA HIS 45 8.342 -12.761 -2.378 332 HB2 HIS 45 2HB HIS 45 7.234 -13.998 -4.268 333 HB3 HIS 45 3HB HIS 45 8.990 -14.129 -4.234 334 HD1 HIS 45 HD1 HIS 45 5.901 -16.134 -4.098 335 HD2 HIS 45 HD2 HIS 45 9.959 -16.698 -3.409 336 HE1 HIS 45 HE1 HIS 45 6.234 -18.627 -4.045 337 H GLY 46 H GLY 46 6.734 -12.022 -1.133 338 HA2 GLY 46 2HA GLY 46 4.185 -12.440 -1.151 339 HA3 GLY 46 3HA GLY 46 4.635 -13.900 -0.282 340 H THR 47 H THR 47 6.886 -12.010 0.844 341 HA THR 47 HA THR 47 5.347 -11.291 3.204 342 HB THR 47 HB THR 47 8.323 -11.183 2.676 343 HG1 THR 47 HG1 THR 47 6.773 -12.937 4.306 344 HG21 THR 47 3HG2 THR 47 8.080 -9.586 4.328 345 HG22 THR 47 1HG2 THR 47 8.269 -11.051 5.290 346 HG23 THR 47 2HG2 THR 47 6.663 -10.370 5.026 347 H ALA 48 H ALA 48 4.463 -9.348 3.387 348 HA ALA 48 HA ALA 48 5.168 -7.172 1.674 349 HB1 ALA 48 1HB ALA 48 3.265 -6.188 2.395 350 HB2 ALA 48 2HB ALA 48 2.903 -7.824 2.947 351 HB3 ALA 48 3HB ALA 48 3.542 -6.632 4.079 352 H VAL 49 H VAL 49 6.059 -5.163 2.252 353 HA VAL 49 HA VAL 49 7.415 -5.032 4.854 354 HB VAL 49 HB VAL 49 8.774 -4.304 2.258 355 HG11 VAL 49 1HG1 VAL 49 9.332 -3.759 5.020 356 HG12 VAL 49 2HG1 VAL 49 10.618 -4.745 4.324 357 HG13 VAL 49 3HG1 VAL 49 10.183 -3.207 3.578 358 HG21 VAL 49 3HG2 VAL 49 9.033 -6.778 3.960 359 HG22 VAL 49 1HG2 VAL 49 8.530 -6.682 2.272 360 HG23 VAL 49 2HG2 VAL 49 10.195 -6.310 2.719 361 H GLU 50 H GLU 50 7.130 -3.139 5.839 362 HA GLU 50 HA GLU 50 5.638 -1.055 4.579 363 HB2 GLU 50 2HB GLU 50 5.265 -1.441 6.909 364 HB3 GLU 50 3HB GLU 50 6.976 -1.269 7.274 365 HG2 GLU 50 2HG GLU 50 6.929 1.039 7.016 366 HG3 GLU 50 3HG GLU 50 5.424 1.001 6.098 367 H LEU 51 H LEU 51 6.295 0.894 3.813 368 HA LEU 51 HA LEU 51 9.199 1.397 3.779 369 HB2 LEU 51 2HB LEU 51 7.122 1.961 1.673 370 HB3 LEU 51 3HB LEU 51 8.765 2.596 1.623 371 HG LEU 51 HG LEU 51 8.333 -0.355 1.799 372 HD11 LEU 51 1HD1 LEU 51 7.214 1.206 -0.245 373 HD12 LEU 51 2HD1 LEU 51 7.426 -0.544 -0.214 374 HD13 LEU 51 3HD1 LEU 51 8.675 0.483 -0.918 375 HD21 LEU 51 3HD2 LEU 51 10.579 0.895 1.965 376 HD22 LEU 51 1HD2 LEU 51 10.398 1.142 0.228 377 HD23 LEU 51 2HD2 LEU 51 10.467 -0.494 0.883 378 HA PRO 52 HA PRO 52 7.483 4.950 6.063 379 HB2 PRO 52 2HB PRO 52 9.785 5.453 7.410 380 HB3 PRO 52 3HB PRO 52 8.617 4.231 7.928 381 HG2 PRO 52 2HG PRO 52 11.169 3.884 6.403 382 HG3 PRO 52 3HG PRO 52 10.523 2.914 7.739 383 HD2 PRO 52 2HD PRO 52 10.327 2.143 5.150 384 HD3 PRO 52 3HD PRO 52 9.093 1.742 6.362 385 H ASP 53 H ASP 53 7.964 7.191 5.971 386 HA ASP 53 HA ASP 53 8.657 9.122 4.988 387 HB2 ASP 53 2HB ASP 53 10.934 7.961 5.721 388 HB3 ASP 53 3HB ASP 53 11.169 7.874 3.978 389 H VAL 54 H VAL 54 6.991 7.479 3.497 390 HA VAL 54 HA VAL 54 7.959 7.978 0.757 391 HB VAL 54 HB VAL 54 6.164 5.728 1.675 392 HG11 VAL 54 1HG1 VAL 54 6.711 5.060 -0.827 393 HG12 VAL 54 2HG1 VAL 54 5.340 6.094 -0.421 394 HG13 VAL 54 3HG1 VAL 54 6.842 6.809 -1.007 395 HG21 VAL 54 3HG2 VAL 54 8.992 5.739 0.627 396 HG22 VAL 54 1HG2 VAL 54 8.464 5.298 2.250 397 HG23 VAL 54 2HG2 VAL 54 8.019 4.289 0.873 398 H GLN 55 H GLN 55 6.595 8.996 -0.637 399 HA GLN 55 HA GLN 55 3.936 9.731 0.398 400 HB2 GLN 55 2HB GLN 55 4.227 11.881 -0.884 401 HB3 GLN 55 3HB GLN 55 5.266 11.701 0.523 402 HG2 GLN 55 2HG GLN 55 7.129 11.082 -0.905 403 HG3 GLN 55 3HG GLN 55 6.093 11.198 -2.327 404 HE21 GLN 55 1HE2 GLN 55 7.260 13.095 0.423 405 HE22 GLN 55 2HE2 GLN 55 7.347 14.598 -0.426 406 H THR 56 H THR 56 2.265 9.272 -0.881 407 HA THR 56 HA THR 56 2.624 7.834 -3.297 408 HB THR 56 HB THR 56 0.075 8.261 -3.515 409 HG1 THR 56 HG1 THR 56 -0.691 9.612 -2.089 410 HG21 THR 56 3HG2 THR 56 0.412 6.891 -0.963 411 HG22 THR 56 1HG2 THR 56 1.573 6.370 -2.183 412 HG23 THR 56 2HG2 THR 56 -0.157 6.270 -2.512 413 H ALA 57 H ALA 57 2.190 8.412 -5.423 414 HA ALA 57 HA ALA 57 1.490 11.156 -6.056 415 HB1 ALA 57 1HB ALA 57 3.684 11.726 -6.051 416 HB2 ALA 57 2HB ALA 57 4.230 10.075 -6.351 417 HB3 ALA 57 3HB ALA 57 3.604 11.052 -7.679 418 HA PRO 58 HA PRO 58 -0.343 9.371 -9.620 419 HB2 PRO 58 2HB PRO 58 0.021 11.302 -11.494 420 HB3 PRO 58 3HB PRO 58 -1.120 11.467 -10.153 421 HG2 PRO 58 2HG PRO 58 1.651 12.566 -10.429 422 HG3 PRO 58 3HG PRO 58 0.191 13.356 -9.806 423 HD2 PRO 58 2HD PRO 58 2.100 12.331 -8.181 424 HD3 PRO 58 3HD PRO 58 0.381 12.355 -7.738 425 H VAL 59 H VAL 59 1.418 7.717 -9.670 426 HA VAL 59 HA VAL 59 3.330 8.145 -11.860 427 HB VAL 59 HB VAL 59 4.355 7.425 -9.778 428 HG11 VAL 59 1HG1 VAL 59 2.648 6.301 -8.622 429 HG12 VAL 59 2HG1 VAL 59 2.368 5.179 -9.955 430 HG13 VAL 59 3HG1 VAL 59 3.840 5.055 -8.991 431 HG21 VAL 59 3HG2 VAL 59 4.491 4.938 -11.393 432 HG22 VAL 59 1HG2 VAL 59 4.931 6.454 -12.180 433 HG23 VAL 59 2HG2 VAL 59 5.789 5.931 -10.731 434 H ALA 60 H ALA 60 3.432 6.771 -13.609 435 HA ALA 60 HA ALA 60 1.030 5.172 -14.077 436 HB1 ALA 60 1HB ALA 60 1.284 5.576 -16.296 437 HB2 ALA 60 2HB ALA 60 2.168 6.971 -15.676 438 HB3 ALA 60 3HB ALA 60 3.046 5.540 -16.215 439 H GLU 61 H GLU 61 1.152 3.105 -13.497 440 HA GLU 61 HA GLU 61 3.653 1.647 -14.053 441 HB2 GLU 61 2HB GLU 61 1.684 1.251 -11.795 442 HB3 GLU 61 3HB GLU 61 2.995 0.138 -12.164 443 HG2 GLU 61 2HG GLU 61 4.568 2.089 -11.858 444 HG3 GLU 61 3HG GLU 61 3.193 2.974 -11.201 445 H THR 62 H THR 62 3.509 -0.032 -15.391 446 HA THR 62 HA THR 62 1.001 -1.482 -15.680 447 HB THR 62 HB THR 62 1.469 -1.326 -18.282 448 HG1 THR 62 HG1 THR 62 2.420 1.175 -17.292 449 HG21 THR 62 3HG2 THR 62 -0.420 -0.061 -18.409 450 HG22 THR 62 1HG2 THR 62 0.159 1.119 -17.234 451 HG23 THR 62 2HG2 THR 62 -0.481 -0.431 -16.686 452 H VAL 63 H VAL 63 1.237 -3.493 -16.860 453 HA VAL 63 HA VAL 63 3.818 -4.418 -17.670 454 HB VAL 63 HB VAL 63 4.145 -4.568 -15.253 455 HG11 VAL 63 1HG1 VAL 63 2.645 -5.381 -13.792 456 HG12 VAL 63 2HG1 VAL 63 1.488 -5.116 -15.098 457 HG13 VAL 63 3HG1 VAL 63 2.189 -6.716 -14.850 458 HG21 VAL 63 3HG2 VAL 63 3.905 -7.401 -15.619 459 HG22 VAL 63 1HG2 VAL 63 4.452 -6.647 -17.117 460 HG23 VAL 63 2HG2 VAL 63 5.354 -6.396 -15.623 461 H ASN 64 H ASN 64 3.616 -6.082 -19.056 462 HA ASN 64 HA ASN 64 0.996 -7.424 -19.187 463 HB2 ASN 64 2HB ASN 64 1.749 -7.782 -21.668 464 HB3 ASN 64 3HB ASN 64 1.072 -6.233 -21.177 465 HD21 ASN 64 1HD2 ASN 64 3.874 -7.921 -22.249 466 HD22 ASN 64 2HD2 ASN 64 4.891 -6.539 -22.458 467 H LEU 65 H LEU 65 1.480 -9.227 -17.985 468 HA LEU 65 HA LEU 65 3.596 -10.969 -19.070 469 HB2 LEU 65 2HB LEU 65 3.439 -11.990 -16.676 470 HB3 LEU 65 3HB LEU 65 4.402 -10.545 -16.971 471 HG LEU 65 HG LEU 65 2.466 -9.190 -16.138 472 HD11 LEU 65 1HD1 LEU 65 0.730 -10.288 -14.870 473 HD12 LEU 65 2HD1 LEU 65 1.428 -11.868 -15.223 474 HD13 LEU 65 3HD1 LEU 65 0.734 -10.901 -16.524 475 HD21 LEU 65 3HD2 LEU 65 4.475 -10.465 -14.766 476 HD22 LEU 65 1HD2 LEU 65 3.035 -10.894 -13.844 477 HD23 LEU 65 2HD2 LEU 65 3.430 -9.198 -14.123 478 H TRP 66 H TRP 66 1.237 -11.130 -20.311 479 HA TRP 66 HA TRP 66 -0.122 -13.457 -19.125 480 HB2 TRP 66 2HB TRP 66 -1.954 -12.848 -20.807 481 HB3 TRP 66 3HB TRP 66 -1.733 -11.762 -19.438 482 HD1 TRP 66 HD1 TRP 66 -0.932 -9.299 -19.944 483 HE1 TRP 66 HE1 TRP 66 -0.700 -7.939 -22.117 484 HE3 TRP 66 HE3 TRP 66 -1.328 -13.107 -23.332 485 HZ2 TRP 66 HZ2 TRP 66 -0.686 -8.417 -24.899 486 HZ3 TRP 66 HZ3 TRP 66 -1.196 -12.572 -25.730 487 HH2 TRP 66 HH2 TRP 66 -0.882 -10.275 -26.495 488 H GLU 67 H GLU 67 1.911 -12.435 -21.648 489 HA GLU 67 HA GLU 67 1.271 -14.796 -23.276 490 HB2 GLU 67 2HB GLU 67 2.625 -13.704 -25.035 491 HB3 GLU 67 3HB GLU 67 1.261 -12.721 -24.522 492 HG2 GLU 67 2HG GLU 67 2.803 -11.434 -23.068 493 HG3 GLU 67 3HG GLU 67 4.144 -12.356 -23.745 494 H VAL 68 H VAL 68 2.688 -15.017 -20.781 495 HA VAL 68 HA VAL 68 5.465 -15.492 -21.519 496 HB VAL 68 HB VAL 68 4.879 -14.463 -19.320 497 HG11 VAL 68 1HG1 VAL 68 2.875 -16.065 -19.051 498 HG12 VAL 68 2HG1 VAL 68 4.065 -17.194 -18.398 499 HG13 VAL 68 3HG1 VAL 68 3.809 -15.631 -17.620 500 HG21 VAL 68 3HG2 VAL 68 6.194 -16.875 -18.392 501 HG22 VAL 68 1HG2 VAL 68 6.834 -16.323 -19.939 502 HG23 VAL 68 2HG2 VAL 68 6.825 -15.236 -18.551 503 H GLU 69 H GLU 69 2.515 -17.241 -21.000 504 HA GLU 69 HA GLU 69 3.931 -19.804 -21.016 505 HB2 GLU 69 2HB GLU 69 2.125 -19.370 -19.331 506 HB3 GLU 69 3HB GLU 69 0.975 -19.300 -20.659 507 HG2 GLU 69 2HG GLU 69 0.801 -21.464 -19.778 508 HG3 GLU 69 3HG GLU 69 1.726 -21.631 -21.268 509 H HIS 70 H HIS 70 4.572 -19.526 -23.258 510 HA HIS 70 HA HIS 70 2.375 -20.120 -25.132 511 HB2 HIS 70 2HB HIS 70 3.500 -17.910 -25.495 512 HB3 HIS 70 3HB HIS 70 4.999 -18.779 -25.811 513 HD1 HIS 70 HD1 HIS 70 5.409 -19.365 -28.182 514 HD2 HIS 70 HD2 HIS 70 1.381 -18.680 -27.426 515 HE1 HIS 70 HE1 HIS 70 4.271 -19.505 -30.420 516 H HIS 71 H HIS 71 2.556 -21.878 -26.425 517 HA HIS 71 HA HIS 71 4.838 -23.641 -25.921 518 HB2 HIS 71 2HB HIS 71 2.057 -24.107 -26.975 519 HB3 HIS 71 3HB HIS 71 3.318 -25.325 -27.142 520 HD1 HIS 71 HD1 HIS 71 1.110 -26.330 -25.560 521 HD2 HIS 71 HD2 HIS 71 4.051 -23.970 -23.815 522 HE1 HIS 71 HE1 HIS 71 1.003 -26.833 -23.098 Start of MODEL 5 1 H1 MET 1 H MET 1 2.350 -0.657 4.188 2 HA MET 1 HA MET 1 0.879 -2.601 2.787 3 HB2 MET 1 2HB MET 1 2.935 -1.178 1.090 4 HB3 MET 1 3HB MET 1 1.949 -2.554 0.613 5 HG2 MET 1 2HG MET 1 0.957 0.215 1.245 6 HG3 MET 1 3HG MET 1 1.095 -0.511 -0.354 7 HE1 MET 1 3HE MET 1 -2.490 -0.506 2.234 8 HE2 MET 1 1HE MET 1 -0.940 -0.542 3.074 9 HE3 MET 1 2HE MET 1 -1.262 0.708 1.872 10 H LYS 2 H LYS 2 1.716 -4.388 3.616 11 HA LYS 2 HA LYS 2 4.638 -4.667 3.727 12 HB2 LYS 2 2HB LYS 2 2.835 -5.654 5.933 13 HB3 LYS 2 3HB LYS 2 4.592 -5.571 5.929 14 HG2 LYS 2 2HG LYS 2 4.101 -2.990 5.606 15 HG3 LYS 2 3HG LYS 2 2.588 -3.437 6.397 16 HD2 LYS 2 2HD LYS 2 5.279 -4.203 7.503 17 HD3 LYS 2 3HD LYS 2 4.489 -2.677 7.906 18 HE2 LYS 2 2HE LYS 2 3.747 -3.992 9.628 19 HE3 LYS 2 3HE LYS 2 2.457 -4.253 8.455 20 HZ1 LYS 2 3HZ LYS 2 3.615 -6.252 9.645 21 HZ2 LYS 2 1HZ LYS 2 4.764 -6.060 8.418 22 HZ3 LYS 2 2HZ LYS 2 3.149 -6.368 8.023 23 H THR 3 H THR 3 5.414 -6.817 3.602 24 HA THR 3 HA THR 3 3.482 -8.933 3.063 25 HB THR 3 HB THR 3 3.945 -7.837 0.864 26 HG1 THR 3 HG1 THR 3 4.979 -10.485 1.086 27 HG21 THR 3 3HG2 THR 3 6.508 -7.626 1.709 28 HG22 THR 3 1HG2 THR 3 6.022 -7.557 0.015 29 HG23 THR 3 2HG2 THR 3 6.618 -9.068 0.701 30 H PHE 4 H PHE 4 4.403 -11.056 3.098 31 HA PHE 4 HA PHE 4 6.565 -11.287 4.965 32 HB2 PHE 4 2HB PHE 4 5.298 -13.554 3.432 33 HB3 PHE 4 3HB PHE 4 6.082 -13.613 5.007 34 HD1 PHE 4 HD1 PHE 4 4.910 -11.640 6.613 35 HD2 PHE 4 HD2 PHE 4 3.058 -13.978 3.578 36 HE1 PHE 4 HE1 PHE 4 2.729 -11.330 7.711 37 HE2 PHE 4 HE2 PHE 4 0.874 -13.672 4.669 38 HZ PHE 4 HZ PHE 4 0.708 -12.346 6.738 39 H ALA 5 H ALA 5 8.640 -11.895 4.622 40 HA ALA 5 HA ALA 5 9.644 -11.728 1.922 41 HB1 ALA 5 1HB ALA 5 10.684 -10.882 4.207 42 HB2 ALA 5 2HB ALA 5 11.426 -12.482 4.172 43 HB3 ALA 5 3HB ALA 5 11.694 -11.356 2.841 44 H LEU 6 H LEU 6 10.960 -13.329 0.907 45 HA LEU 6 HA LEU 6 10.907 -16.027 1.983 46 HB2 LEU 6 2HB LEU 6 9.600 -15.288 -0.630 47 HB3 LEU 6 3HB LEU 6 9.962 -16.939 -0.129 48 HG LEU 6 HG LEU 6 8.161 -15.132 1.465 49 HD11 LEU 6 1HD1 LEU 6 7.498 -16.917 -0.859 50 HD12 LEU 6 2HD1 LEU 6 7.083 -15.219 -0.627 51 HD13 LEU 6 3HD1 LEU 6 6.308 -16.459 0.360 52 HD21 LEU 6 3HD2 LEU 6 8.221 -16.839 2.883 53 HD22 LEU 6 1HD2 LEU 6 9.208 -17.788 1.771 54 HD23 LEU 6 2HD2 LEU 6 7.449 -17.838 1.650 55 H GLN 7 H GLN 7 11.836 -17.516 0.026 56 HA GLN 7 HA GLN 7 14.519 -16.910 -0.201 57 HB2 GLN 7 2HB GLN 7 13.225 -19.115 -0.681 58 HB3 GLN 7 3HB GLN 7 13.132 -18.507 -2.329 59 HG2 GLN 7 2HG GLN 7 15.011 -19.858 -2.351 60 HG3 GLN 7 3HG GLN 7 15.674 -18.236 -2.163 61 HE21 GLN 7 1HE2 GLN 7 15.598 -21.359 -0.944 62 HE22 GLN 7 2HE2 GLN 7 16.416 -21.073 0.550 63 H GLY 8 H GLY 8 15.631 -15.474 -1.345 64 HA2 GLY 8 2HA GLY 8 16.181 -13.923 -2.945 65 HA3 GLY 8 3HA GLY 8 15.229 -14.895 -4.057 66 H ASP 9 H ASP 9 13.705 -13.594 -1.238 67 HA ASP 9 HA ASP 9 12.405 -11.545 -2.912 68 HB2 ASP 9 2HB ASP 9 11.245 -13.527 -0.995 69 HB3 ASP 9 3HB ASP 9 10.461 -11.960 -1.177 70 H THR 10 H THR 10 14.739 -11.398 -1.074 71 HA THR 10 HA THR 10 13.925 -10.046 1.297 72 HB THR 10 HB THR 10 16.195 -9.670 1.741 73 HG1 THR 10 HG1 THR 10 16.813 -10.078 -1.010 74 HG21 THR 10 3HG2 THR 10 17.022 -11.787 1.697 75 HG22 THR 10 1HG2 THR 10 16.695 -11.996 -0.023 76 HG23 THR 10 2HG2 THR 10 15.387 -12.157 1.149 77 H LEU 11 H LEU 11 15.047 -7.767 1.666 78 HA LEU 11 HA LEU 11 13.551 -5.858 0.370 79 HB2 LEU 11 2HB LEU 11 16.302 -5.452 1.533 80 HB3 LEU 11 3HB LEU 11 15.086 -4.205 1.264 81 HG LEU 11 HG LEU 11 14.375 -6.472 3.050 82 HD11 LEU 11 1HD1 LEU 11 15.926 -6.098 4.588 83 HD12 LEU 11 2HD1 LEU 11 15.571 -4.371 4.583 84 HD13 LEU 11 3HD1 LEU 11 16.752 -5.031 3.452 85 HD21 LEU 11 3HD2 LEU 11 13.354 -4.484 4.283 86 HD22 LEU 11 1HD2 LEU 11 12.659 -4.911 2.719 87 HD23 LEU 11 2HD2 LEU 11 13.760 -3.540 2.849 88 H ASP 12 H ASP 12 16.811 -6.983 -0.428 89 HA ASP 12 HA ASP 12 17.457 -5.181 -2.429 90 HB2 ASP 12 2HB ASP 12 18.140 -8.114 -2.176 91 HB3 ASP 12 3HB ASP 12 18.872 -7.041 -3.366 92 H ALA 13 H ALA 13 15.380 -8.008 -2.549 93 HA ALA 13 HA ALA 13 15.021 -7.785 -5.422 94 HB1 ALA 13 1HB ALA 13 13.146 -9.595 -4.456 95 HB2 ALA 13 2HB ALA 13 14.718 -9.973 -5.161 96 HB3 ALA 13 3HB ALA 13 14.552 -9.807 -3.413 97 H ILE 14 H ILE 14 12.895 -7.667 -2.558 98 HA ILE 14 HA ILE 14 10.552 -6.899 -3.780 99 HB ILE 14 HB ILE 14 11.568 -5.977 -1.089 100 HG12 ILE 14 2HG1 ILE 14 9.720 -8.278 -1.738 101 HG13 ILE 14 3HG1 ILE 14 11.452 -8.465 -1.488 102 HG21 ILE 14 1HG2 ILE 14 9.176 -5.680 -0.547 103 HG22 ILE 14 2HG2 ILE 14 9.732 -4.590 -1.815 104 HG23 ILE 14 3HG2 ILE 14 8.779 -6.013 -2.233 105 HD11 ILE 14 3HD1 ILE 14 9.499 -7.396 0.536 106 HD12 ILE 14 1HD1 ILE 14 10.168 -9.027 0.508 107 HD13 ILE 14 2HD1 ILE 14 11.227 -7.644 0.784 108 H CYS 15 H CYS 15 13.067 -4.748 -2.461 109 HA CYS 15 HA CYS 15 11.909 -2.314 -3.091 110 HB2 CYS 15 2HB CYS 15 14.806 -3.149 -2.969 111 HB3 CYS 15 3HB CYS 15 14.314 -1.480 -3.230 112 HG CYS 15 HG CYS 15 12.607 -2.154 -0.690 113 H VAL 16 H VAL 16 13.518 -4.609 -5.159 114 HA VAL 16 HA VAL 16 13.677 -2.755 -7.386 115 HB VAL 16 HB VAL 16 14.307 -5.706 -7.235 116 HG11 VAL 16 1HG1 VAL 16 13.851 -5.376 -9.483 117 HG12 VAL 16 2HG1 VAL 16 14.465 -3.721 -9.469 118 HG13 VAL 16 3HG1 VAL 16 15.587 -5.081 -9.398 119 HG21 VAL 16 3HG2 VAL 16 16.595 -5.083 -7.117 120 HG22 VAL 16 1HG2 VAL 16 16.220 -3.391 -7.443 121 HG23 VAL 16 2HG2 VAL 16 15.749 -4.119 -5.907 122 H ARG 17 H ARG 17 11.569 -5.240 -6.193 123 HA ARG 17 HA ARG 17 10.140 -5.508 -8.701 124 HB2 ARG 17 2HB ARG 17 9.158 -7.345 -7.792 125 HB3 ARG 17 3HB ARG 17 10.533 -7.251 -6.700 126 HG2 ARG 17 2HG ARG 17 9.124 -5.978 -5.110 127 HG3 ARG 17 3HG ARG 17 7.749 -6.227 -6.189 128 HD2 ARG 17 2HD ARG 17 9.372 -8.381 -4.837 129 HD3 ARG 17 3HD ARG 17 7.748 -7.864 -4.385 130 HE ARG 17 HE ARG 17 7.582 -8.606 -7.028 131 HH11 ARG 17 1HH1 ARG 17 8.494 -10.128 -4.033 132 HH12 ARG 17 2HH1 ARG 17 7.987 -11.708 -4.530 133 HH21 ARG 17 1HH2 ARG 17 6.910 -10.681 -7.695 134 HH22 ARG 17 2HH2 ARG 17 7.087 -12.022 -6.614 135 H TYR 18 H TYR 18 10.088 -3.443 -6.022 136 HA TYR 18 HA TYR 18 7.295 -2.673 -6.535 137 HB2 TYR 18 2HB TYR 18 8.988 -2.712 -4.122 138 HB3 TYR 18 3HB TYR 18 7.997 -1.269 -4.306 139 HD1 TYR 18 HD2 TYR 18 7.931 -4.927 -3.901 140 HD2 TYR 18 HD1 TYR 18 5.611 -1.365 -4.067 141 HE1 TYR 18 HE2 TYR 18 5.990 -6.157 -3.022 142 HE2 TYR 18 HE1 TYR 18 3.664 -2.584 -3.188 143 HH TYR 18 HH TYR 18 3.804 -5.413 -1.660 144 H TYR 19 H TYR 19 10.344 -1.081 -5.577 145 HA TYR 19 HA TYR 19 9.503 1.335 -6.971 146 HB2 TYR 19 2HB TYR 19 12.080 0.951 -5.455 147 HB3 TYR 19 3HB TYR 19 11.244 2.457 -5.817 148 HD1 TYR 19 HD2 TYR 19 9.122 3.003 -4.619 149 HD2 TYR 19 HD1 TYR 19 11.543 -0.319 -3.520 150 HE1 TYR 19 HE2 TYR 19 7.984 2.900 -2.441 151 HE2 TYR 19 HE1 TYR 19 10.411 -0.431 -1.340 152 HH TYR 19 HH TYR 19 8.902 0.489 0.001 153 H GLY 20 H GLY 20 11.951 -1.185 -7.159 154 HA2 GLY 20 2HA GLY 20 12.945 -1.895 -9.180 155 HA3 GLY 20 3HA GLY 20 12.521 -0.351 -9.904 156 H ARG 21 H ARG 21 14.012 -0.386 -6.782 157 HA ARG 21 HA ARG 21 16.713 -0.227 -7.688 158 HB2 ARG 21 2HB ARG 21 17.128 2.117 -7.229 159 HB3 ARG 21 3HB ARG 21 15.878 1.969 -8.457 160 HG2 ARG 21 2HG ARG 21 14.920 2.152 -5.680 161 HG3 ARG 21 3HG ARG 21 15.707 3.594 -6.324 162 HD2 ARG 21 2HD ARG 21 14.118 2.974 -8.399 163 HD3 ARG 21 3HD ARG 21 13.149 2.323 -7.078 164 HE ARG 21 HE ARG 21 14.086 5.002 -6.620 165 HH11 ARG 21 1HH1 ARG 21 11.581 3.043 -8.036 166 HH12 ARG 21 2HH1 ARG 21 10.384 4.293 -7.969 167 HH21 ARG 21 1HH2 ARG 21 12.519 6.657 -6.526 168 HH22 ARG 21 2HH2 ARG 21 10.919 6.349 -7.111 169 H THR 22 H THR 22 18.203 0.389 -5.893 170 HA THR 22 HA THR 22 17.010 -0.266 -3.277 171 HB THR 22 HB THR 22 19.485 -1.095 -2.838 172 HG1 THR 22 HG1 THR 22 20.008 -2.242 -4.970 173 HG21 THR 22 3HG2 THR 22 17.030 -2.341 -3.590 174 HG22 THR 22 1HG2 THR 22 18.321 -2.975 -2.570 175 HG23 THR 22 2HG2 THR 22 18.365 -3.238 -4.313 176 H GLU 23 H GLU 23 19.336 1.658 -5.049 177 HA GLU 23 HA GLU 23 20.613 2.880 -2.856 178 HB2 GLU 23 2HB GLU 23 21.450 2.928 -5.200 179 HB3 GLU 23 3HB GLU 23 20.153 4.043 -5.608 180 HG2 GLU 23 2HG GLU 23 21.090 5.572 -3.824 181 HG3 GLU 23 3HG GLU 23 22.496 4.510 -3.793 182 H GLY 24 H GLY 24 19.634 4.019 -1.320 183 HA2 GLY 24 2HA GLY 24 18.596 6.001 -0.554 184 HA3 GLY 24 3HA GLY 24 17.804 6.161 -2.114 185 H VAL 25 H VAL 25 17.039 3.245 -1.962 186 HA VAL 25 HA VAL 25 14.582 3.681 -0.457 187 HB VAL 25 HB VAL 25 15.309 1.322 -2.196 188 HG11 VAL 25 1HG1 VAL 25 13.228 0.533 -1.862 189 HG12 VAL 25 2HG1 VAL 25 13.295 1.513 -0.396 190 HG13 VAL 25 3HG1 VAL 25 12.508 2.143 -1.844 191 HG21 VAL 25 3HG2 VAL 25 15.407 3.344 -3.526 192 HG22 VAL 25 1HG2 VAL 25 13.957 2.428 -3.938 193 HG23 VAL 25 2HG2 VAL 25 13.836 3.857 -2.911 194 H VAL 26 H VAL 26 17.281 1.387 -0.592 195 HA VAL 26 HA VAL 26 16.432 -0.426 1.332 196 HB VAL 26 HB VAL 26 18.815 -0.952 1.696 197 HG11 VAL 26 1HG1 VAL 26 17.833 -0.582 -1.118 198 HG12 VAL 26 2HG1 VAL 26 19.366 -1.378 -0.757 199 HG13 VAL 26 3HG1 VAL 26 17.856 -2.051 -0.143 200 HG21 VAL 26 3HG2 VAL 26 20.170 0.556 -0.178 201 HG22 VAL 26 1HG2 VAL 26 19.137 1.733 0.632 202 HG23 VAL 26 2HG2 VAL 26 20.257 0.749 1.573 203 H GLU 27 H GLU 27 17.784 2.771 1.700 204 HA GLU 27 HA GLU 27 18.361 2.518 4.493 205 HB2 GLU 27 2HB GLU 27 18.119 4.913 2.672 206 HB3 GLU 27 3HB GLU 27 18.543 5.035 4.374 207 HG2 GLU 27 2HG GLU 27 20.096 3.484 2.316 208 HG3 GLU 27 3HG GLU 27 20.496 5.104 2.884 209 H THR 28 H THR 28 15.581 3.350 2.600 210 HA THR 28 HA THR 28 14.139 4.692 4.668 211 HB THR 28 HB THR 28 12.705 3.311 2.442 212 HG1 THR 28 HG1 THR 28 13.354 5.375 1.242 213 HG21 THR 28 3HG2 THR 28 12.499 6.056 3.687 214 HG22 THR 28 1HG2 THR 28 11.452 4.678 4.026 215 HG23 THR 28 2HG2 THR 28 11.440 5.423 2.427 216 H VAL 29 H VAL 29 13.507 1.539 3.114 217 HA VAL 29 HA VAL 29 11.661 0.600 4.956 218 HB VAL 29 HB VAL 29 13.654 -1.115 3.471 219 HG11 VAL 29 1HG1 VAL 29 12.592 -2.623 4.804 220 HG12 VAL 29 2HG1 VAL 29 11.138 -1.634 4.956 221 HG13 VAL 29 3HG1 VAL 29 11.426 -2.560 3.482 222 HG21 VAL 29 3HG2 VAL 29 12.759 -0.312 1.596 223 HG22 VAL 29 1HG2 VAL 29 11.253 -1.098 2.070 224 HG23 VAL 29 2HG2 VAL 29 11.536 0.592 2.489 225 H LEU 30 H LEU 30 15.181 0.447 5.029 226 HA LEU 30 HA LEU 30 15.516 -1.337 7.144 227 HB2 LEU 30 2HB LEU 30 17.126 0.843 5.943 228 HB3 LEU 30 3HB LEU 30 17.613 0.262 7.534 229 HG LEU 30 HG LEU 30 17.358 -1.443 5.057 230 HD11 LEU 30 1HD1 LEU 30 19.987 -1.157 6.258 231 HD12 LEU 30 2HD1 LEU 30 19.344 0.371 5.657 232 HD13 LEU 30 3HD1 LEU 30 19.488 -1.012 4.572 233 HD21 LEU 30 3HD2 LEU 30 18.206 -2.033 7.881 234 HD22 LEU 30 1HD2 LEU 30 18.643 -3.063 6.518 235 HD23 LEU 30 2HD2 LEU 30 16.945 -2.818 6.929 236 H ALA 31 H ALA 31 15.257 2.211 7.221 237 HA ALA 31 HA ALA 31 15.494 2.543 9.984 238 HB1 ALA 31 1HB ALA 31 13.749 4.281 8.267 239 HB2 ALA 31 2HB ALA 31 14.714 4.732 9.673 240 HB3 ALA 31 3HB ALA 31 15.509 4.319 8.153 241 H ALA 32 H ALA 32 12.825 1.455 8.050 242 HA ALA 32 HA ALA 32 10.897 1.796 10.196 243 HB1 ALA 32 1HB ALA 32 10.790 1.231 7.332 244 HB2 ALA 32 2HB ALA 32 9.633 0.301 8.285 245 HB3 ALA 32 3HB ALA 32 9.632 2.062 8.370 246 H ASN 33 H ASN 33 12.960 -0.660 8.892 247 HA ASN 33 HA ASN 33 11.852 -2.572 10.835 248 HB2 ASN 33 2HB ASN 33 12.394 -2.938 7.931 249 HB3 ASN 33 3HB ASN 33 12.774 -4.284 9.001 250 HD21 ASN 33 1HD2 ASN 33 10.179 -1.959 8.352 251 HD22 ASN 33 2HD2 ASN 33 8.885 -3.081 8.578 252 HA PRO 34 HA PRO 34 16.392 -1.893 11.536 253 HB2 PRO 34 2HB PRO 34 16.175 -1.644 14.231 254 HB3 PRO 34 3HB PRO 34 15.981 -0.282 13.122 255 HG2 PRO 34 2HG PRO 34 13.885 -1.948 14.461 256 HG3 PRO 34 3HG PRO 34 13.943 -0.190 14.238 257 HD2 PRO 34 2HD PRO 34 12.452 -1.810 12.662 258 HD3 PRO 34 3HD PRO 34 13.198 -0.315 12.060 259 H GLY 35 H GLY 35 17.506 -3.739 11.489 260 HA2 GLY 35 2HA GLY 35 18.219 -5.530 13.166 261 HA3 GLY 35 3HA GLY 35 16.530 -6.010 13.096 262 H LEU 36 H LEU 36 16.639 -5.209 10.132 263 HA LEU 36 HA LEU 36 17.297 -7.848 9.185 264 HB2 LEU 36 2HB LEU 36 15.405 -6.169 8.441 265 HB3 LEU 36 3HB LEU 36 16.658 -5.601 7.339 266 HG LEU 36 HG LEU 36 15.236 -7.164 6.193 267 HD11 LEU 36 1HD1 LEU 36 17.640 -8.831 6.734 268 HD12 LEU 36 2HD1 LEU 36 17.861 -7.217 6.059 269 HD13 LEU 36 3HD1 LEU 36 16.880 -8.404 5.201 270 HD21 LEU 36 3HD2 LEU 36 15.758 -9.636 7.389 271 HD22 LEU 36 1HD2 LEU 36 14.223 -8.768 7.346 272 HD23 LEU 36 2HD2 LEU 36 15.319 -8.554 8.711 273 H ALA 37 H ALA 37 18.596 -4.584 8.829 274 HA ALA 37 HA ALA 37 20.501 -5.057 6.859 275 HB1 ALA 37 1HB ALA 37 19.855 -2.960 8.647 276 HB2 ALA 37 2HB ALA 37 21.593 -3.239 8.754 277 HB3 ALA 37 3HB ALA 37 20.851 -2.893 7.193 278 H GLU 38 H GLU 38 20.731 -5.475 10.372 279 HA GLU 38 HA GLU 38 23.442 -6.502 10.138 280 HB2 GLU 38 2HB GLU 38 23.342 -6.662 12.605 281 HB3 GLU 38 3HB GLU 38 22.976 -5.047 12.014 282 HG2 GLU 38 2HG GLU 38 20.658 -6.816 12.404 283 HG3 GLU 38 3HG GLU 38 21.522 -6.344 13.867 284 H LEU 39 H LEU 39 20.690 -7.818 9.334 285 HA LEU 39 HA LEU 39 20.730 -10.267 10.850 286 HB2 LEU 39 2HB LEU 39 18.681 -9.198 9.840 287 HB3 LEU 39 3HB LEU 39 19.278 -9.728 8.269 288 HG LEU 39 HG LEU 39 19.080 -12.051 8.951 289 HD11 LEU 39 1HD1 LEU 39 19.495 -12.190 11.209 290 HD12 LEU 39 2HD1 LEU 39 17.743 -12.383 11.164 291 HD13 LEU 39 3HD1 LEU 39 18.447 -10.825 11.596 292 HD21 LEU 39 3HD2 LEU 39 17.125 -11.422 7.923 293 HD22 LEU 39 1HD2 LEU 39 16.725 -10.236 9.166 294 HD23 LEU 39 2HD2 LEU 39 16.518 -11.957 9.491 295 H GLY 40 H GLY 40 21.520 -9.325 7.509 296 HA2 GLY 40 2HA GLY 40 23.780 -10.541 6.968 297 HA3 GLY 40 3HA GLY 40 22.741 -11.953 7.076 298 H ALA 41 H ALA 41 23.469 -12.272 4.834 299 HA ALA 41 HA ALA 41 22.813 -10.502 2.751 300 HB1 ALA 41 1HB ALA 41 23.046 -13.503 2.581 301 HB2 ALA 41 2HB ALA 41 23.216 -12.347 1.258 302 HB3 ALA 41 3HB ALA 41 24.410 -12.385 2.556 303 H VAL 42 H VAL 42 21.221 -13.628 3.398 304 HA VAL 42 HA VAL 42 18.751 -12.527 2.262 305 HB VAL 42 HB VAL 42 19.334 -15.415 2.917 306 HG11 VAL 42 1HG1 VAL 42 17.119 -15.524 2.569 307 HG12 VAL 42 2HG1 VAL 42 17.064 -13.946 1.781 308 HG13 VAL 42 3HG1 VAL 42 17.546 -15.375 0.865 309 HG21 VAL 42 3HG2 VAL 42 19.646 -14.001 0.269 310 HG22 VAL 42 1HG2 VAL 42 20.966 -14.562 1.295 311 HG23 VAL 42 2HG2 VAL 42 19.864 -15.727 0.562 312 H LEU 43 H LEU 43 16.743 -12.796 3.316 313 HA LEU 43 HA LEU 43 16.983 -12.949 6.236 314 HB2 LEU 43 2HB LEU 43 14.576 -11.972 6.023 315 HB3 LEU 43 3HB LEU 43 15.985 -10.937 5.801 316 HG LEU 43 HG LEU 43 15.711 -11.080 3.375 317 HD11 LEU 43 1HD1 LEU 43 13.391 -12.851 4.094 318 HD12 LEU 43 2HD1 LEU 43 14.761 -13.216 3.045 319 HD13 LEU 43 3HD1 LEU 43 13.540 -12.053 2.528 320 HD21 LEU 43 3HD2 LEU 43 13.018 -10.354 4.447 321 HD22 LEU 43 1HD2 LEU 43 14.000 -9.537 3.231 322 HD23 LEU 43 2HD2 LEU 43 14.441 -9.433 4.936 323 HA PRO 44 HA PRO 44 14.663 -16.657 6.572 324 HB2 PRO 44 2HB PRO 44 13.148 -16.187 8.776 325 HB3 PRO 44 3HB PRO 44 14.890 -16.476 8.851 326 HG2 PRO 44 2HG PRO 44 13.395 -13.883 8.926 327 HG3 PRO 44 3HG PRO 44 14.776 -14.407 9.907 328 HD2 PRO 44 2HD PRO 44 15.044 -12.758 7.776 329 HD3 PRO 44 3HD PRO 44 16.300 -13.921 8.247 330 H HIS 45 H HIS 45 12.848 -17.530 5.737 331 HA HIS 45 HA HIS 45 10.945 -15.919 4.429 332 HB2 HIS 45 2HB HIS 45 9.844 -17.959 3.828 333 HB3 HIS 45 3HB HIS 45 11.577 -18.274 3.805 334 HD1 HIS 45 HD1 HIS 45 8.573 -19.789 4.870 335 HD2 HIS 45 HD2 HIS 45 12.364 -19.421 6.528 336 HE1 HIS 45 HE1 HIS 45 8.733 -21.613 6.593 337 H GLY 46 H GLY 46 8.969 -15.181 4.998 338 HA2 GLY 46 2HA GLY 46 6.923 -15.445 6.291 339 HA3 GLY 46 3HA GLY 46 7.915 -16.010 7.628 340 H THR 47 H THR 47 9.931 -14.044 7.520 341 HA THR 47 HA THR 47 8.895 -12.065 9.155 342 HB THR 47 HB THR 47 11.351 -11.914 7.397 343 HG1 THR 47 HG1 THR 47 11.052 -13.589 9.174 344 HG21 THR 47 3HG2 THR 47 10.418 -10.190 9.685 345 HG22 THR 47 1HG2 THR 47 10.836 -9.688 8.047 346 HG23 THR 47 2HG2 THR 47 12.097 -10.246 9.148 347 H ALA 48 H ALA 48 7.523 -10.471 8.748 348 HA ALA 48 HA ALA 48 6.904 -9.657 6.067 349 HB1 ALA 48 1HB ALA 48 5.548 -9.649 8.472 350 HB2 ALA 48 2HB ALA 48 5.841 -7.939 8.151 351 HB3 ALA 48 3HB ALA 48 4.997 -8.928 6.960 352 H VAL 49 H VAL 49 7.253 -7.660 5.107 353 HA VAL 49 HA VAL 49 9.208 -5.912 6.455 354 HB VAL 49 HB VAL 49 9.109 -6.442 3.485 355 HG11 VAL 49 1HG1 VAL 49 11.554 -5.386 4.685 356 HG12 VAL 49 2HG1 VAL 49 10.679 -4.864 3.244 357 HG13 VAL 49 3HG1 VAL 49 10.166 -4.310 4.838 358 HG21 VAL 49 3HG2 VAL 49 11.298 -7.639 3.939 359 HG22 VAL 49 1HG2 VAL 49 10.830 -7.643 5.639 360 HG23 VAL 49 2HG2 VAL 49 9.831 -8.476 4.448 361 H GLU 50 H GLU 50 8.713 -3.808 6.545 362 HA GLU 50 HA GLU 50 6.178 -2.934 5.465 363 HB2 GLU 50 2HB GLU 50 6.687 -2.228 7.696 364 HB3 GLU 50 3HB GLU 50 8.245 -1.583 7.198 365 HG2 GLU 50 2HG GLU 50 7.118 0.137 5.885 366 HG3 GLU 50 3HG GLU 50 5.555 -0.509 6.380 367 H LEU 51 H LEU 51 5.873 -1.780 3.671 368 HA LEU 51 HA LEU 51 8.250 -0.775 2.260 369 HB2 LEU 51 2HB LEU 51 5.649 -1.910 1.365 370 HB3 LEU 51 3HB LEU 51 6.439 -0.717 0.336 371 HG LEU 51 HG LEU 51 8.452 -2.189 0.290 372 HD11 LEU 51 1HD1 LEU 51 7.915 -3.393 2.400 373 HD12 LEU 51 2HD1 LEU 51 8.311 -4.454 1.049 374 HD13 LEU 51 3HD1 LEU 51 6.630 -4.239 1.537 375 HD21 LEU 51 3HD2 LEU 51 7.672 -3.175 -1.567 376 HD22 LEU 51 1HD2 LEU 51 6.190 -2.283 -1.220 377 HD23 LEU 51 2HD2 LEU 51 6.346 -3.965 -0.711 378 HA PRO 52 HA PRO 52 6.289 3.125 3.577 379 HB2 PRO 52 2HB PRO 52 8.598 4.550 3.485 380 HB3 PRO 52 3HB PRO 52 8.137 3.556 4.872 381 HG2 PRO 52 2HG PRO 52 10.018 2.925 2.630 382 HG3 PRO 52 3HG PRO 52 10.203 2.615 4.366 383 HD2 PRO 52 2HD PRO 52 9.445 0.693 2.616 384 HD3 PRO 52 3HD PRO 52 8.879 0.729 4.298 385 H ASP 53 H ASP 53 5.665 4.883 2.374 386 HA ASP 53 HA ASP 53 5.258 6.163 0.538 387 HB2 ASP 53 2HB ASP 53 7.958 5.327 -0.514 388 HB3 ASP 53 3HB ASP 53 7.082 6.822 -0.831 389 H VAL 54 H VAL 54 3.932 3.936 0.368 390 HA VAL 54 HA VAL 54 4.076 3.237 -2.461 391 HB VAL 54 HB VAL 54 4.091 1.180 -0.251 392 HG11 VAL 54 1HG1 VAL 54 3.387 0.961 -3.154 393 HG12 VAL 54 2HG1 VAL 54 4.082 -0.410 -2.287 394 HG13 VAL 54 3HG1 VAL 54 2.555 0.292 -1.751 395 HG21 VAL 54 3HG2 VAL 54 5.989 1.700 -2.539 396 HG22 VAL 54 1HG2 VAL 54 6.295 2.021 -0.832 397 HG23 VAL 54 2HG2 VAL 54 6.107 0.361 -1.397 398 H GLN 55 H GLN 55 2.110 2.739 -3.373 399 HA GLN 55 HA GLN 55 -0.150 2.673 -3.621 400 HB2 GLN 55 2HB GLN 55 0.231 0.824 -1.836 401 HB3 GLN 55 3HB GLN 55 -0.445 1.995 -0.711 402 HG2 GLN 55 2HG GLN 55 -2.536 1.799 -1.543 403 HG3 GLN 55 3HG GLN 55 -1.975 1.507 -3.188 404 HE21 GLN 55 1HE2 GLN 55 -3.796 0.137 -1.064 405 HE22 GLN 55 2HE2 GLN 55 -3.369 -1.529 -1.224 406 H THR 56 H THR 56 0.996 5.147 -3.119 407 HA THR 56 HA THR 56 -1.042 6.475 -1.453 408 HB THR 56 HB THR 56 0.519 8.299 -1.088 409 HG1 THR 56 HG1 THR 56 1.774 8.342 -2.900 410 HG21 THR 56 3HG2 THR 56 0.655 6.547 0.536 411 HG22 THR 56 1HG2 THR 56 2.301 7.060 0.170 412 HG23 THR 56 2HG2 THR 56 1.668 5.568 -0.524 413 H ALA 57 H ALA 57 -0.947 9.005 -2.211 414 HA ALA 57 HA ALA 57 -2.423 9.157 -4.543 415 HB1 ALA 57 1HB ALA 57 -1.118 11.065 -2.752 416 HB2 ALA 57 2HB ALA 57 -1.318 11.649 -4.405 417 HB3 ALA 57 3HB ALA 57 -2.722 11.107 -3.485 418 HA PRO 58 HA PRO 58 0.334 9.058 -7.955 419 HB2 PRO 58 2HB PRO 58 -0.700 10.955 -9.598 420 HB3 PRO 58 3HB PRO 58 -1.486 9.398 -9.314 421 HG2 PRO 58 2HG PRO 58 -2.070 12.065 -8.087 422 HG3 PRO 58 3HG PRO 58 -3.201 10.837 -8.686 423 HD2 PRO 58 2HD PRO 58 -2.639 11.142 -6.054 424 HD3 PRO 58 3HD PRO 58 -3.029 9.565 -6.771 425 H VAL 59 H VAL 59 2.267 9.791 -6.996 426 HA VAL 59 HA VAL 59 2.863 12.642 -7.459 427 HB VAL 59 HB VAL 59 4.638 12.344 -5.675 428 HG11 VAL 59 1HG1 VAL 59 2.128 13.241 -5.498 429 HG12 VAL 59 2HG1 VAL 59 2.032 11.908 -4.344 430 HG13 VAL 59 3HG1 VAL 59 3.224 13.189 -4.118 431 HG21 VAL 59 3HG2 VAL 59 4.653 10.511 -4.262 432 HG22 VAL 59 1HG2 VAL 59 3.011 10.036 -4.694 433 HG23 VAL 59 2HG2 VAL 59 4.335 9.766 -5.829 434 H ALA 60 H ALA 60 3.344 11.669 -9.662 435 HA ALA 60 HA ALA 60 6.114 11.607 -10.074 436 HB1 ALA 60 1HB ALA 60 5.662 9.029 -11.032 437 HB2 ALA 60 2HB ALA 60 6.650 9.493 -9.646 438 HB3 ALA 60 3HB ALA 60 4.959 9.049 -9.414 439 H GLU 61 H GLU 61 6.583 11.979 -12.186 440 HA GLU 61 HA GLU 61 4.304 12.043 -14.030 441 HB2 GLU 61 2HB GLU 61 5.869 14.070 -13.486 442 HB3 GLU 61 3HB GLU 61 6.962 13.292 -14.622 443 HG2 GLU 61 2HG GLU 61 4.138 13.750 -15.434 444 HG3 GLU 61 3HG GLU 61 5.255 15.114 -15.410 445 H THR 62 H THR 62 4.850 9.560 -13.921 446 HA THR 62 HA THR 62 6.377 8.984 -16.353 447 HB THR 62 HB THR 62 7.261 6.885 -15.221 448 HG1 THR 62 HG1 THR 62 6.592 6.609 -13.238 449 HG21 THR 62 3HG2 THR 62 8.351 9.403 -13.991 450 HG22 THR 62 1HG2 THR 62 8.545 9.044 -15.706 451 HG23 THR 62 2HG2 THR 62 9.225 7.957 -14.495 452 H VAL 63 H VAL 63 6.071 6.483 -16.826 453 HA VAL 63 HA VAL 63 3.573 5.351 -16.004 454 HB VAL 63 HB VAL 63 2.669 6.985 -17.549 455 HG11 VAL 63 1HG1 VAL 63 3.700 5.997 -20.033 456 HG12 VAL 63 2HG1 VAL 63 3.737 7.637 -19.384 457 HG13 VAL 63 3HG1 VAL 63 5.031 6.503 -18.993 458 HG21 VAL 63 3HG2 VAL 63 2.652 4.294 -18.904 459 HG22 VAL 63 1HG2 VAL 63 1.728 4.665 -17.448 460 HG23 VAL 63 2HG2 VAL 63 1.395 5.530 -18.948 461 H ASN 64 H ASN 64 3.660 3.199 -16.215 462 HA ASN 64 HA ASN 64 5.736 2.081 -17.982 463 HB2 ASN 64 2HB ASN 64 4.703 1.131 -15.309 464 HB3 ASN 64 3HB ASN 64 5.663 0.107 -16.373 465 HD21 ASN 64 1HD2 ASN 64 7.682 1.358 -17.230 466 HD22 ASN 64 2HD2 ASN 64 8.614 2.136 -16.000 467 H LEU 65 H LEU 65 5.256 -0.261 -18.595 468 HA LEU 65 HA LEU 65 2.591 -1.197 -18.681 469 HB2 LEU 65 2HB LEU 65 2.060 -0.854 -21.001 470 HB3 LEU 65 3HB LEU 65 2.347 0.701 -20.224 471 HG LEU 65 HG LEU 65 4.780 0.311 -21.232 472 HD11 LEU 65 1HD1 LEU 65 3.604 -1.902 -22.225 473 HD12 LEU 65 2HD1 LEU 65 4.950 -1.069 -23.002 474 HD13 LEU 65 3HD1 LEU 65 3.297 -0.763 -23.536 475 HD21 LEU 65 3HD2 LEU 65 4.239 2.100 -22.449 476 HD22 LEU 65 1HD2 LEU 65 2.617 1.930 -21.778 477 HD23 LEU 65 2HD2 LEU 65 3.001 1.218 -23.345 478 H TRP 66 H TRP 66 2.403 -3.232 -19.704 479 HA TRP 66 HA TRP 66 4.979 -4.421 -20.501 480 HB2 TRP 66 2HB TRP 66 2.707 -5.848 -19.105 481 HB3 TRP 66 3HB TRP 66 4.301 -6.501 -19.475 482 HD1 TRP 66 HD1 TRP 66 6.380 -4.908 -18.224 483 HE1 TRP 66 HE1 TRP 66 6.430 -4.181 -15.755 484 HE3 TRP 66 HE3 TRP 66 1.406 -5.376 -17.139 485 HZ2 TRP 66 HZ2 TRP 66 4.603 -3.851 -13.629 486 HZ3 TRP 66 HZ3 TRP 66 0.639 -4.835 -14.864 487 HH2 TRP 66 HH2 TRP 66 2.206 -4.089 -13.147 488 H GLU 67 H GLU 67 4.781 -6.330 -21.927 489 HA GLU 67 HA GLU 67 2.324 -6.569 -23.447 490 HB2 GLU 67 2HB GLU 67 3.332 -4.731 -24.620 491 HB3 GLU 67 3HB GLU 67 4.887 -5.548 -24.672 492 HG2 GLU 67 2HG GLU 67 4.196 -7.037 -26.310 493 HG3 GLU 67 3HG GLU 67 2.487 -6.761 -25.976 494 H VAL 68 H VAL 68 2.084 -8.708 -23.258 495 HA VAL 68 HA VAL 68 4.408 -10.434 -23.797 496 HB VAL 68 HB VAL 68 3.166 -12.220 -22.634 497 HG11 VAL 68 1HG1 VAL 68 3.925 -11.583 -20.600 498 HG12 VAL 68 2HG1 VAL 68 4.616 -10.251 -21.529 499 HG13 VAL 68 3HG1 VAL 68 3.099 -10.026 -20.658 500 HG21 VAL 68 3HG2 VAL 68 0.958 -12.026 -22.435 501 HG22 VAL 68 1HG2 VAL 68 1.240 -10.817 -21.182 502 HG23 VAL 68 2HG2 VAL 68 1.013 -10.314 -22.857 503 H GLU 69 H GLU 69 1.200 -9.593 -24.806 504 HA GLU 69 HA GLU 69 0.710 -11.898 -26.407 505 HB2 GLU 69 2HB GLU 69 -0.511 -9.145 -26.328 506 HB3 GLU 69 3HB GLU 69 -1.027 -10.364 -27.485 507 HG2 GLU 69 2HG GLU 69 -1.018 -10.871 -24.530 508 HG3 GLU 69 3HG GLU 69 -2.386 -10.129 -25.358 509 H HIS 70 H HIS 70 2.672 -12.126 -27.588 510 HA HIS 70 HA HIS 70 3.469 -10.066 -29.444 511 HB2 HIS 70 2HB HIS 70 4.491 -12.749 -28.652 512 HB3 HIS 70 3HB HIS 70 4.944 -12.141 -30.242 513 HD1 HIS 70 HD1 HIS 70 6.036 -9.601 -30.129 514 HD2 HIS 70 HD2 HIS 70 6.136 -11.911 -26.678 515 HE1 HIS 70 HE1 HIS 70 7.810 -8.566 -28.678 516 H HIS 71 H HIS 71 2.625 -9.774 -31.390 517 HA HIS 71 HA HIS 71 1.393 -10.092 -33.281 518 HB2 HIS 71 2HB HIS 71 3.467 -11.678 -33.512 519 HB3 HIS 71 3HB HIS 71 2.272 -12.958 -33.324 520 HD1 HIS 71 HD1 HIS 71 1.220 -13.724 -35.427 521 HD2 HIS 71 HD2 HIS 71 2.738 -9.872 -35.771 522 HE1 HIS 71 HE1 HIS 71 0.875 -13.078 -37.832 Start of MODEL 6 1 H1 MET 1 H MET 1 7.729 0.580 -8.744 2 HA MET 1 HA MET 1 9.774 1.673 -10.313 3 HB2 MET 1 2HB MET 1 9.698 3.575 -8.811 4 HB3 MET 1 3HB MET 1 9.822 2.517 -7.411 5 HG2 MET 1 2HG MET 1 11.946 3.540 -7.804 6 HG3 MET 1 3HG MET 1 12.061 1.822 -8.180 7 HE1 MET 1 3HE MET 1 13.364 5.235 -10.521 8 HE2 MET 1 1HE MET 1 13.154 4.917 -8.799 9 HE3 MET 1 2HE MET 1 14.408 4.071 -9.705 10 H LYS 2 H LYS 2 11.302 0.161 -10.548 11 HA LYS 2 HA LYS 2 11.758 -1.755 -8.373 12 HB2 LYS 2 2HB LYS 2 10.925 -2.360 -11.187 13 HB3 LYS 2 3HB LYS 2 11.953 -3.495 -10.322 14 HG2 LYS 2 2HG LYS 2 10.308 -3.901 -8.690 15 HG3 LYS 2 3HG LYS 2 9.353 -2.505 -9.194 16 HD2 LYS 2 2HD LYS 2 8.338 -3.651 -10.837 17 HD3 LYS 2 3HD LYS 2 9.833 -4.451 -11.327 18 HE2 LYS 2 2HE LYS 2 8.110 -5.210 -8.970 19 HE3 LYS 2 3HE LYS 2 8.173 -6.056 -10.515 20 HZ1 LYS 2 3HZ LYS 2 10.785 -5.833 -9.577 21 HZ2 LYS 2 1HZ LYS 2 9.853 -7.237 -9.730 22 HZ3 LYS 2 2HZ LYS 2 9.844 -6.371 -8.278 23 H THR 3 H THR 3 13.807 -2.776 -8.404 24 HA THR 3 HA THR 3 15.749 -2.112 -10.416 25 HB THR 3 HB THR 3 15.851 -0.026 -9.206 26 HG1 THR 3 HG1 THR 3 17.902 -0.407 -9.671 27 HG21 THR 3 3HG2 THR 3 14.874 -0.956 -7.081 28 HG22 THR 3 1HG2 THR 3 16.231 0.148 -6.857 29 HG23 THR 3 2HG2 THR 3 16.475 -1.593 -6.707 30 H PHE 4 H PHE 4 17.733 -3.243 -10.156 31 HA PHE 4 HA PHE 4 17.437 -5.736 -8.774 32 HB2 PHE 4 2HB PHE 4 19.941 -4.720 -10.116 33 HB3 PHE 4 3HB PHE 4 19.464 -6.393 -9.841 34 HD1 PHE 4 HD2 PHE 4 16.818 -6.640 -10.814 35 HD2 PHE 4 HD1 PHE 4 19.990 -4.257 -12.356 36 HE1 PHE 4 HE2 PHE 4 15.783 -6.711 -13.045 37 HE2 PHE 4 HE1 PHE 4 18.959 -4.323 -14.589 38 HZ PHE 4 HZ PHE 4 16.854 -5.552 -14.936 39 H ALA 5 H ALA 5 18.354 -6.408 -6.911 40 HA ALA 5 HA ALA 5 19.634 -4.385 -5.256 41 HB1 ALA 5 1HB ALA 5 18.963 -7.187 -4.407 42 HB2 ALA 5 2HB ALA 5 19.139 -5.744 -3.408 43 HB3 ALA 5 3HB ALA 5 17.747 -5.911 -4.477 44 H LEU 6 H LEU 6 21.767 -4.170 -5.408 45 HA LEU 6 HA LEU 6 23.406 -6.559 -5.905 46 HB2 LEU 6 2HB LEU 6 24.433 -3.756 -6.067 47 HB3 LEU 6 3HB LEU 6 25.020 -5.205 -6.881 48 HG LEU 6 HG LEU 6 22.490 -3.700 -7.549 49 HD11 LEU 6 1HD1 LEU 6 23.656 -2.508 -9.021 50 HD12 LEU 6 2HD1 LEU 6 24.524 -3.928 -9.601 51 HD13 LEU 6 3HD1 LEU 6 25.104 -3.062 -8.179 52 HD21 LEU 6 3HD2 LEU 6 22.442 -6.190 -7.907 53 HD22 LEU 6 1HD2 LEU 6 23.764 -5.974 -9.054 54 HD23 LEU 6 2HD2 LEU 6 22.203 -5.212 -9.356 55 H GLN 7 H GLN 7 25.808 -5.945 -4.987 56 HA GLN 7 HA GLN 7 25.746 -6.464 -2.281 57 HB2 GLN 7 2HB GLN 7 27.707 -6.444 -4.069 58 HB3 GLN 7 3HB GLN 7 28.034 -4.875 -3.344 59 HG2 GLN 7 2HG GLN 7 28.467 -5.812 -1.241 60 HG3 GLN 7 3HG GLN 7 27.737 -7.354 -1.686 61 HE21 GLN 7 1HE2 GLN 7 30.065 -7.641 -0.602 62 HE22 GLN 7 2HE2 GLN 7 31.315 -7.946 -1.754 63 H GLY 8 H GLY 8 25.218 -5.305 -0.554 64 HA2 GLY 8 2HA GLY 8 24.873 -3.514 0.844 65 HA3 GLY 8 3HA GLY 8 26.021 -2.622 -0.143 66 H ASP 9 H ASP 9 23.290 -3.982 -1.734 67 HA ASP 9 HA ASP 9 21.964 -1.352 -1.738 68 HB2 ASP 9 2HB ASP 9 22.668 -3.143 -4.040 69 HB3 ASP 9 3HB ASP 9 21.269 -2.079 -4.150 70 H THR 10 H THR 10 21.505 -3.888 -0.222 71 HA THR 10 HA THR 10 19.148 -5.110 -1.258 72 HB THR 10 HB THR 10 19.014 -6.318 0.781 73 HG1 THR 10 HG1 THR 10 20.972 -4.762 2.063 74 HG21 THR 10 3HG2 THR 10 20.936 -6.915 -0.621 75 HG22 THR 10 1HG2 THR 10 21.290 -7.161 1.089 76 HG23 THR 10 2HG2 THR 10 21.933 -5.750 0.249 77 H LEU 11 H LEU 11 17.211 -5.222 0.457 78 HA LEU 11 HA LEU 11 15.757 -2.901 0.220 79 HB2 LEU 11 2HB LEU 11 15.455 -4.838 2.503 80 HB3 LEU 11 3HB LEU 11 14.210 -3.815 1.790 81 HG LEU 11 HG LEU 11 15.526 -6.197 0.485 82 HD11 LEU 11 1HD1 LEU 11 12.741 -5.782 1.560 83 HD12 LEU 11 2HD1 LEU 11 13.980 -6.840 2.234 84 HD13 LEU 11 3HD1 LEU 11 13.287 -7.192 0.651 85 HD21 LEU 11 3HD2 LEU 11 14.915 -5.260 -1.438 86 HD22 LEU 11 1HD2 LEU 11 14.063 -3.955 -0.611 87 HD23 LEU 11 2HD2 LEU 11 13.242 -5.484 -0.924 88 H ASP 12 H ASP 12 17.713 -3.958 2.985 89 HA ASP 12 HA ASP 12 17.119 -1.913 4.761 90 HB2 ASP 12 2HB ASP 12 19.584 -3.582 4.336 91 HB3 ASP 12 3HB ASP 12 19.544 -2.331 5.576 92 H ALA 13 H ALA 13 19.239 -1.919 1.978 93 HA ALA 13 HA ALA 13 20.329 0.696 2.616 94 HB1 ALA 13 1HB ALA 13 21.798 -0.951 1.606 95 HB2 ALA 13 2HB ALA 13 20.734 -1.070 0.204 96 HB3 ALA 13 3HB ALA 13 21.598 0.432 0.530 97 H ILE 14 H ILE 14 18.516 -0.700 -0.126 98 HA ILE 14 HA ILE 14 17.958 1.619 -1.498 99 HB ILE 14 HB ILE 14 16.136 -0.768 -1.170 100 HG12 ILE 14 2HG1 ILE 14 18.041 -0.170 -3.433 101 HG13 ILE 14 3HG1 ILE 14 18.497 -1.149 -2.043 102 HG21 ILE 14 1HG2 ILE 14 14.925 1.153 -2.032 103 HG22 ILE 14 2HG2 ILE 14 16.158 1.397 -3.268 104 HG23 ILE 14 3HG2 ILE 14 15.151 -0.050 -3.302 105 HD11 ILE 14 3HD1 ILE 14 16.708 -2.726 -2.579 106 HD12 ILE 14 1HD1 ILE 14 16.279 -1.750 -3.984 107 HD13 ILE 14 2HD1 ILE 14 17.852 -2.545 -3.909 108 H CYS 15 H CYS 15 16.144 0.194 1.194 109 HA CYS 15 HA CYS 15 14.006 1.997 1.215 110 HB2 CYS 15 2HB CYS 15 15.277 0.315 3.365 111 HB3 CYS 15 3HB CYS 15 13.903 1.360 3.708 112 HG CYS 15 HG CYS 15 12.756 -1.078 3.453 113 H VAL 16 H VAL 16 17.256 2.257 2.464 114 HA VAL 16 HA VAL 16 16.674 4.688 3.938 115 HB VAL 16 HB VAL 16 19.304 3.295 3.412 116 HG11 VAL 16 1HG1 VAL 16 19.971 5.455 3.856 117 HG12 VAL 16 2HG1 VAL 16 18.592 5.778 4.909 118 HG13 VAL 16 3HG1 VAL 16 19.920 4.766 5.479 119 HG21 VAL 16 3HG2 VAL 16 17.588 2.090 4.818 120 HG22 VAL 16 1HG2 VAL 16 19.137 2.405 5.602 121 HG23 VAL 16 2HG2 VAL 16 17.736 3.409 5.980 122 H ARG 17 H ARG 17 17.892 3.746 0.831 123 HA ARG 17 HA ARG 17 18.998 6.362 0.249 124 HB2 ARG 17 2HB ARG 17 19.977 5.403 -1.570 125 HB3 ARG 17 3HB ARG 17 19.702 3.940 -0.633 126 HG2 ARG 17 2HG ARG 17 17.592 3.591 -1.880 127 HG3 ARG 17 3HG ARG 17 17.993 4.993 -2.875 128 HD2 ARG 17 2HD ARG 17 19.878 2.676 -2.577 129 HD3 ARG 17 3HD ARG 17 18.586 2.667 -3.776 130 HE ARG 17 HE ARG 17 19.849 5.020 -4.231 131 HH11 ARG 17 1HH1 ARG 17 20.929 1.720 -3.982 132 HH12 ARG 17 2HH1 ARG 17 22.253 1.933 -5.078 133 HH21 ARG 17 1HH2 ARG 17 21.589 5.313 -5.677 134 HH22 ARG 17 2HH2 ARG 17 22.628 3.978 -6.041 135 H TYR 18 H TYR 18 15.973 4.852 0.104 136 HA TYR 18 HA TYR 18 15.006 6.747 -1.928 137 HB2 TYR 18 2HB TYR 18 14.218 4.000 -1.155 138 HB3 TYR 18 3HB TYR 18 12.902 5.093 -1.567 139 HD1 TYR 18 HD2 TYR 18 15.855 3.327 -2.832 140 HD2 TYR 18 HD1 TYR 18 12.626 5.911 -3.831 141 HE1 TYR 18 HE2 TYR 18 16.275 2.918 -5.221 142 HE2 TYR 18 HE1 TYR 18 13.036 5.509 -6.222 143 HH TYR 18 HH TYR 18 15.822 4.184 -7.412 144 H TYR 19 H TYR 19 13.758 5.174 1.023 145 HA TYR 19 HA TYR 19 12.125 7.522 1.570 146 HB2 TYR 19 2HB TYR 19 12.253 5.066 3.299 147 HB3 TYR 19 3HB TYR 19 10.919 6.193 3.083 148 HD1 TYR 19 HD1 TYR 19 9.577 6.128 0.990 149 HD2 TYR 19 HD2 TYR 19 12.536 3.195 1.852 150 HE1 TYR 19 HE1 TYR 19 8.595 4.646 -0.709 151 HE2 TYR 19 HE2 TYR 19 11.563 1.705 0.155 152 HH TYR 19 HH TYR 19 9.878 1.386 -1.266 153 H GLY 20 H GLY 20 14.877 5.777 2.895 154 HA2 GLY 20 2HA GLY 20 16.599 6.803 4.143 155 HA3 GLY 20 3HA GLY 20 15.497 8.113 4.542 156 H ARG 21 H ARG 21 14.385 4.859 4.881 157 HA ARG 21 HA ARG 21 15.188 4.496 7.594 158 HB2 ARG 21 2HB ARG 21 13.028 4.748 8.665 159 HB3 ARG 21 3HB ARG 21 13.480 6.260 7.889 160 HG2 ARG 21 2HG ARG 21 11.847 4.416 6.270 161 HG3 ARG 21 3HG ARG 21 11.055 5.139 7.672 162 HD2 ARG 21 2HD ARG 21 12.291 7.304 6.629 163 HD3 ARG 21 3HD ARG 21 11.978 6.376 5.163 164 HE ARG 21 HE ARG 21 9.700 6.638 6.907 165 HH11 ARG 21 1HH1 ARG 21 11.497 8.048 4.279 166 HH12 ARG 21 2HH1 ARG 21 10.150 8.954 3.672 167 HH21 ARG 21 1HH2 ARG 21 7.920 7.826 6.117 168 HH22 ARG 21 2HH2 ARG 21 8.117 8.827 4.719 169 H THR 22 H THR 22 14.114 2.570 8.575 170 HA THR 22 HA THR 22 13.258 0.681 6.478 171 HB THR 22 HB THR 22 14.218 -1.029 8.271 172 HG1 THR 22 HG1 THR 22 14.838 0.873 9.619 173 HG21 THR 22 3HG2 THR 22 15.365 -1.414 6.391 174 HG22 THR 22 1HG2 THR 22 16.565 -0.274 6.997 175 HG23 THR 22 2HG2 THR 22 15.290 0.282 5.913 176 H GLU 23 H GLU 23 12.804 1.837 9.749 177 HA GLU 23 HA GLU 23 10.914 -0.121 10.555 178 HB2 GLU 23 2HB GLU 23 10.362 1.474 12.363 179 HB3 GLU 23 3HB GLU 23 12.092 1.198 12.208 180 HG2 GLU 23 2HG GLU 23 12.436 3.367 12.001 181 HG3 GLU 23 3HG GLU 23 11.404 3.411 10.573 182 H GLY 24 H GLY 24 8.928 -0.404 9.804 183 HA2 GLY 24 2HA GLY 24 6.712 0.258 9.370 184 HA3 GLY 24 3HA GLY 24 7.262 1.920 9.218 185 H VAL 25 H VAL 25 9.484 0.765 7.418 186 HA VAL 25 HA VAL 25 7.889 0.912 4.966 187 HB VAL 25 HB VAL 25 10.894 1.042 5.217 188 HG11 VAL 25 1HG1 VAL 25 9.748 2.466 3.006 189 HG12 VAL 25 2HG1 VAL 25 10.923 1.150 2.999 190 HG13 VAL 25 3HG1 VAL 25 9.195 0.792 2.999 191 HG21 VAL 25 3HG2 VAL 25 10.242 3.574 4.709 192 HG22 VAL 25 1HG2 VAL 25 8.805 3.106 5.618 193 HG23 VAL 25 2HG2 VAL 25 10.402 2.951 6.351 194 H VAL 26 H VAL 26 10.541 -1.009 6.365 195 HA VAL 26 HA VAL 26 10.809 -2.921 4.393 196 HB VAL 26 HB VAL 26 11.627 -4.452 6.148 197 HG11 VAL 26 1HG1 VAL 26 12.530 -1.598 6.098 198 HG12 VAL 26 2HG1 VAL 26 13.334 -2.778 7.135 199 HG13 VAL 26 3HG1 VAL 26 13.290 -3.022 5.389 200 HG21 VAL 26 3HG2 VAL 26 10.311 -2.442 7.918 201 HG22 VAL 26 1HG2 VAL 26 10.306 -4.203 8.015 202 HG23 VAL 26 2HG2 VAL 26 11.741 -3.297 8.495 203 H GLU 27 H GLU 27 8.384 -2.678 6.923 204 HA GLU 27 HA GLU 27 7.286 -5.248 6.715 205 HB2 GLU 27 2HB GLU 27 5.988 -2.629 7.480 206 HB3 GLU 27 3HB GLU 27 5.224 -4.201 7.671 207 HG2 GLU 27 2HG GLU 27 7.869 -3.553 8.925 208 HG3 GLU 27 3HG GLU 27 6.337 -3.183 9.713 209 H THR 28 H THR 28 6.816 -2.355 4.803 210 HA THR 28 HA THR 28 4.520 -3.311 3.392 211 HB THR 28 HB THR 28 6.409 -1.173 2.417 212 HG1 THR 28 HG1 THR 28 5.198 0.275 3.679 213 HG21 THR 28 3HG2 THR 28 3.420 -1.271 2.140 214 HG22 THR 28 1HG2 THR 28 4.476 -2.105 1.000 215 HG23 THR 28 2HG2 THR 28 4.589 -0.355 1.189 216 H VAL 29 H VAL 29 7.889 -2.760 2.344 217 HA VAL 29 HA VAL 29 7.738 -3.903 -0.160 218 HB VAL 29 HB VAL 29 10.102 -4.056 1.716 219 HG11 VAL 29 1HG1 VAL 29 10.725 -5.444 0.002 220 HG12 VAL 29 2HG1 VAL 29 9.738 -4.598 -1.190 221 HG13 VAL 29 3HG1 VAL 29 11.256 -3.890 -0.638 222 HG21 VAL 29 3HG2 VAL 29 9.990 -1.817 1.607 223 HG22 VAL 29 1HG2 VAL 29 10.608 -2.024 -0.032 224 HG23 VAL 29 2HG2 VAL 29 8.875 -1.843 0.241 225 H LEU 30 H LEU 30 8.252 -5.483 2.955 226 HA LEU 30 HA LEU 30 8.810 -8.059 1.946 227 HB2 LEU 30 2HB LEU 30 8.168 -6.858 4.541 228 HB3 LEU 30 3HB LEU 30 7.659 -8.537 4.373 229 HG LEU 30 HG LEU 30 10.093 -8.965 3.625 230 HD11 LEU 30 1HD1 LEU 30 11.745 -7.439 4.400 231 HD12 LEU 30 2HD1 LEU 30 10.530 -6.419 5.171 232 HD13 LEU 30 3HD1 LEU 30 10.606 -6.525 3.412 233 HD21 LEU 30 3HD2 LEU 30 9.699 -9.993 5.597 234 HD22 LEU 30 1HD2 LEU 30 8.963 -8.563 6.321 235 HD23 LEU 30 2HD2 LEU 30 10.719 -8.698 6.225 236 H ALA 31 H ALA 31 5.794 -6.543 3.041 237 HA ALA 31 HA ALA 31 4.123 -8.769 2.729 238 HB1 ALA 31 1HB ALA 31 3.216 -7.007 3.950 239 HB2 ALA 31 2HB ALA 31 3.621 -5.815 2.715 240 HB3 ALA 31 3HB ALA 31 2.315 -6.966 2.434 241 H ALA 32 H ALA 32 5.501 -6.605 0.405 242 HA ALA 32 HA ALA 32 3.692 -7.502 -1.705 243 HB1 ALA 32 1HB ALA 32 5.586 -5.260 -1.371 244 HB2 ALA 32 2HB ALA 32 5.402 -5.902 -3.004 245 HB3 ALA 32 3HB ALA 32 3.994 -5.301 -2.129 246 H ASN 33 H ASN 33 6.859 -8.091 -0.470 247 HA ASN 33 HA ASN 33 7.318 -10.012 -2.642 248 HB2 ASN 33 2HB ASN 33 9.502 -8.268 -1.488 249 HB3 ASN 33 3HB ASN 33 9.638 -9.397 -2.833 250 HD21 ASN 33 1HD2 ASN 33 8.445 -6.305 -1.790 251 HD22 ASN 33 2HD2 ASN 33 8.150 -5.661 -3.366 252 HA PRO 34 HA PRO 34 7.763 -11.922 1.570 253 HB2 PRO 34 2HB PRO 34 6.266 -14.111 0.991 254 HB3 PRO 34 3HB PRO 34 5.567 -12.598 1.579 255 HG2 PRO 34 2HG PRO 34 5.741 -13.643 -1.221 256 HG3 PRO 34 3HG PRO 34 4.381 -12.849 -0.406 257 HD2 PRO 34 2HD PRO 34 6.019 -11.539 -2.119 258 HD3 PRO 34 3HD PRO 34 5.255 -10.741 -0.730 259 H GLY 35 H GLY 35 9.236 -13.474 2.102 260 HA2 GLY 35 2HA GLY 35 10.562 -15.387 1.793 261 HA3 GLY 35 3HA GLY 35 10.081 -15.421 0.103 262 H LEU 36 H LEU 36 10.779 -12.382 0.206 263 HA LEU 36 HA LEU 36 13.457 -12.745 -0.796 264 HB2 LEU 36 2HB LEU 36 11.574 -11.148 -1.632 265 HB3 LEU 36 3HB LEU 36 12.185 -10.074 -0.376 266 HG LEU 36 HG LEU 36 13.100 -9.534 -2.584 267 HD11 LEU 36 1HD1 LEU 36 15.262 -9.146 -1.863 268 HD12 LEU 36 2HD1 LEU 36 15.360 -10.677 -0.995 269 HD13 LEU 36 3HD1 LEU 36 14.389 -9.355 -0.345 270 HD21 LEU 36 3HD2 LEU 36 14.982 -11.618 -2.922 271 HD22 LEU 36 1HD2 LEU 36 13.670 -11.141 -4.000 272 HD23 LEU 36 2HD2 LEU 36 13.390 -12.362 -2.759 273 H ALA 37 H ALA 37 11.928 -11.237 2.000 274 HA ALA 37 HA ALA 37 14.305 -10.061 3.031 275 HB1 ALA 37 1HB ALA 37 11.755 -10.774 4.476 276 HB2 ALA 37 2HB ALA 37 13.015 -9.686 5.059 277 HB3 ALA 37 3HB ALA 37 12.070 -9.257 3.633 278 H GLU 38 H GLU 38 12.948 -13.235 3.149 279 HA GLU 38 HA GLU 38 14.586 -14.048 5.411 280 HB2 GLU 38 2HB GLU 38 12.510 -15.420 3.725 281 HB3 GLU 38 3HB GLU 38 13.554 -16.341 4.798 282 HG2 GLU 38 2HG GLU 38 12.028 -14.003 5.850 283 HG3 GLU 38 3HG GLU 38 11.223 -15.554 5.614 284 H LEU 39 H LEU 39 15.410 -13.328 2.453 285 HA LEU 39 HA LEU 39 16.608 -15.606 1.338 286 HB2 LEU 39 2HB LEU 39 16.209 -13.340 0.266 287 HB3 LEU 39 3HB LEU 39 17.673 -12.806 1.089 288 HG LEU 39 HG LEU 39 19.010 -14.364 -0.171 289 HD11 LEU 39 1HD1 LEU 39 17.972 -15.731 -1.965 290 HD12 LEU 39 2HD1 LEU 39 16.388 -15.300 -1.322 291 HD13 LEU 39 3HD1 LEU 39 17.515 -16.231 -0.336 292 HD21 LEU 39 3HD2 LEU 39 17.128 -12.627 -1.728 293 HD22 LEU 39 1HD2 LEU 39 18.392 -13.557 -2.535 294 HD23 LEU 39 2HD2 LEU 39 18.823 -12.350 -1.323 295 H GLY 40 H GLY 40 17.652 -13.420 3.855 296 HA2 GLY 40 2HA GLY 40 19.198 -14.234 5.524 297 HA3 GLY 40 3HA GLY 40 20.015 -15.137 4.257 298 H ALA 41 H ALA 41 21.955 -14.340 3.848 299 HA ALA 41 HA ALA 41 22.850 -11.807 4.654 300 HB1 ALA 41 1HB ALA 41 24.882 -12.480 3.937 301 HB2 ALA 41 2HB ALA 41 24.087 -14.052 3.849 302 HB3 ALA 41 3HB ALA 41 24.263 -13.071 2.394 303 H VAL 42 H VAL 42 24.240 -10.739 2.519 304 HA VAL 42 HA VAL 42 22.452 -8.958 1.403 305 HB VAL 42 HB VAL 42 24.937 -8.691 1.443 306 HG11 VAL 42 1HG1 VAL 42 26.350 -9.918 0.188 307 HG12 VAL 42 2HG1 VAL 42 25.033 -11.092 0.208 308 HG13 VAL 42 3HG1 VAL 42 25.230 -10.011 -1.171 309 HG21 VAL 42 3HG2 VAL 42 23.577 -7.152 0.169 310 HG22 VAL 42 1HG2 VAL 42 25.063 -7.496 -0.718 311 HG23 VAL 42 2HG2 VAL 42 23.549 -8.261 -1.202 312 H LEU 43 H LEU 43 21.294 -8.827 -0.474 313 HA LEU 43 HA LEU 43 20.439 -11.251 -1.671 314 HB2 LEU 43 2HB LEU 43 20.018 -8.501 -2.805 315 HB3 LEU 43 3HB LEU 43 18.998 -9.926 -2.997 316 HG LEU 43 HG LEU 43 19.387 -8.609 -0.325 317 HD11 LEU 43 1HD1 LEU 43 17.345 -7.356 -0.713 318 HD12 LEU 43 2HD1 LEU 43 17.253 -7.980 -2.360 319 HD13 LEU 43 3HD1 LEU 43 18.576 -6.910 -1.895 320 HD21 LEU 43 3HD2 LEU 43 17.073 -9.632 -0.037 321 HD22 LEU 43 1HD2 LEU 43 18.440 -10.745 -0.100 322 HD23 LEU 43 2HD2 LEU 43 17.411 -10.533 -1.516 323 HA PRO 44 HA PRO 44 23.310 -11.789 -4.952 324 HB2 PRO 44 2HB PRO 44 21.725 -12.993 -6.798 325 HB3 PRO 44 3HB PRO 44 22.289 -13.811 -5.337 326 HG2 PRO 44 2HG PRO 44 19.644 -12.520 -5.883 327 HG3 PRO 44 3HG PRO 44 19.992 -14.063 -5.081 328 HD2 PRO 44 2HD PRO 44 19.406 -11.805 -3.706 329 HD3 PRO 44 3HD PRO 44 20.505 -13.048 -3.076 330 H HIS 45 H HIS 45 24.079 -10.206 -6.191 331 HA HIS 45 HA HIS 45 22.689 -8.039 -7.185 332 HB2 HIS 45 2HB HIS 45 24.632 -7.760 -8.761 333 HB3 HIS 45 3HB HIS 45 25.078 -7.953 -7.068 334 HD1 HIS 45 HD1 HIS 45 25.500 -9.472 -10.401 335 HD2 HIS 45 HD2 HIS 45 26.235 -10.498 -6.443 336 HE1 HIS 45 HE1 HIS 45 27.053 -11.448 -10.496 337 H GLY 46 H GLY 46 20.910 -8.221 -8.412 338 HA2 GLY 46 2HA GLY 46 20.619 -8.415 -10.983 339 HA3 GLY 46 3HA GLY 46 20.933 -10.114 -10.660 340 H THR 47 H THR 47 19.422 -9.345 -7.977 341 HA THR 47 HA THR 47 16.849 -10.260 -8.979 342 HB THR 47 HB THR 47 17.846 -9.856 -6.154 343 HG1 THR 47 HG1 THR 47 17.643 -12.057 -7.904 344 HG21 THR 47 3HG2 THR 47 15.481 -9.539 -6.113 345 HG22 THR 47 1HG2 THR 47 15.794 -11.180 -5.549 346 HG23 THR 47 2HG2 THR 47 15.218 -10.907 -7.193 347 H ALA 48 H ALA 48 15.341 -8.850 -9.552 348 HA ALA 48 HA ALA 48 15.469 -6.088 -8.762 349 HB1 ALA 48 1HB ALA 48 14.453 -5.876 -10.722 350 HB2 ALA 48 2HB ALA 48 14.178 -7.616 -10.813 351 HB3 ALA 48 3HB ALA 48 13.001 -6.578 -10.008 352 H VAL 49 H VAL 49 13.994 -4.949 -7.506 353 HA VAL 49 HA VAL 49 12.096 -6.558 -5.934 354 HB VAL 49 HB VAL 49 13.787 -4.344 -4.771 355 HG11 VAL 49 1HG1 VAL 49 12.782 -6.133 -2.825 356 HG12 VAL 49 2HG1 VAL 49 12.363 -4.436 -3.070 357 HG13 VAL 49 3HG1 VAL 49 11.441 -5.700 -3.885 358 HG21 VAL 49 3HG2 VAL 49 15.177 -6.274 -5.404 359 HG22 VAL 49 1HG2 VAL 49 15.081 -6.068 -3.655 360 HG23 VAL 49 2HG2 VAL 49 14.132 -7.325 -4.449 361 H GLU 50 H GLU 50 10.166 -5.592 -5.436 362 HA GLU 50 HA GLU 50 9.475 -3.258 -6.991 363 HB2 GLU 50 2HB GLU 50 7.862 -5.016 -6.970 364 HB3 GLU 50 3HB GLU 50 7.880 -5.100 -5.214 365 HG2 GLU 50 2HG GLU 50 6.668 -3.118 -4.988 366 HG3 GLU 50 3HG GLU 50 6.994 -2.626 -6.649 367 H LEU 51 H LEU 51 9.401 -1.231 -6.282 368 HA LEU 51 HA LEU 51 9.639 -0.762 -3.389 369 HB2 LEU 51 2HB LEU 51 10.240 1.220 -5.566 370 HB3 LEU 51 3HB LEU 51 10.722 1.285 -3.872 371 HG LEU 51 HG LEU 51 11.778 -0.658 -5.926 372 HD11 LEU 51 1HD1 LEU 51 13.181 1.660 -4.612 373 HD12 LEU 51 2HD1 LEU 51 12.475 1.719 -6.227 374 HD13 LEU 51 3HD1 LEU 51 13.800 0.607 -5.885 375 HD21 LEU 51 3HD2 LEU 51 12.332 -0.261 -3.000 376 HD22 LEU 51 1HD2 LEU 51 13.489 -1.040 -4.080 377 HD23 LEU 51 2HD2 LEU 51 11.888 -1.744 -3.846 378 HA PRO 52 HA PRO 52 5.361 0.613 -4.158 379 HB2 PRO 52 2HB PRO 52 4.561 0.226 -1.592 380 HB3 PRO 52 3HB PRO 52 4.626 -1.077 -2.786 381 HG2 PRO 52 2HG PRO 52 6.594 -0.371 -0.644 382 HG3 PRO 52 3HG PRO 52 6.003 -1.968 -1.138 383 HD2 PRO 52 2HD PRO 52 8.402 -0.994 -1.930 384 HD3 PRO 52 3HD PRO 52 7.428 -2.075 -2.946 385 H ASP 53 H ASP 53 4.216 2.461 -3.452 386 HA ASP 53 HA ASP 53 3.983 4.610 -2.743 387 HB2 ASP 53 2HB ASP 53 5.983 3.961 -0.577 388 HB3 ASP 53 3HB ASP 53 4.709 5.177 -0.542 389 H VAL 54 H VAL 54 6.162 3.799 -4.597 390 HA VAL 54 HA VAL 54 8.003 6.058 -4.155 391 HB VAL 54 HB VAL 54 8.464 3.548 -5.774 392 HG11 VAL 54 1HG1 VAL 54 9.595 5.393 -6.813 393 HG12 VAL 54 2HG1 VAL 54 10.236 5.933 -5.259 394 HG13 VAL 54 3HG1 VAL 54 10.788 4.412 -5.963 395 HG21 VAL 54 3HG2 VAL 54 10.328 3.313 -3.998 396 HG22 VAL 54 1HG2 VAL 54 9.349 4.435 -3.054 397 HG23 VAL 54 2HG2 VAL 54 8.675 2.884 -3.556 398 H GLN 55 H GLN 55 8.409 7.487 -5.821 399 HA GLN 55 HA GLN 55 6.627 7.256 -8.156 400 HB2 GLN 55 2HB GLN 55 7.636 9.808 -6.893 401 HB3 GLN 55 3HB GLN 55 6.474 9.670 -8.205 402 HG2 GLN 55 2HG GLN 55 4.984 8.427 -6.601 403 HG3 GLN 55 3HG GLN 55 6.103 8.905 -5.326 404 HE21 GLN 55 1HE2 GLN 55 5.904 10.863 -4.441 405 HE22 GLN 55 2HE2 GLN 55 4.820 12.093 -4.985 406 H THR 56 H THR 56 7.596 9.234 -9.738 407 HA THR 56 HA THR 56 9.197 9.733 -11.278 408 HB THR 56 HB THR 56 11.322 8.674 -9.435 409 HG1 THR 56 HG1 THR 56 11.243 10.856 -8.501 410 HG21 THR 56 3HG2 THR 56 12.473 10.756 -10.348 411 HG22 THR 56 1HG2 THR 56 11.147 10.853 -11.505 412 HG23 THR 56 2HG2 THR 56 12.202 9.439 -11.489 413 H ALA 57 H ALA 57 7.921 7.271 -11.510 414 HA ALA 57 HA ALA 57 10.014 5.720 -12.857 415 HB1 ALA 57 1HB ALA 57 9.888 4.156 -11.270 416 HB2 ALA 57 2HB ALA 57 8.418 4.847 -10.582 417 HB3 ALA 57 3HB ALA 57 8.316 3.755 -11.963 418 HA PRO 58 HA PRO 58 7.206 5.409 -16.214 419 HB2 PRO 58 2HB PRO 58 7.684 2.904 -17.146 420 HB3 PRO 58 3HB PRO 58 8.830 4.236 -17.340 421 HG2 PRO 58 2HG PRO 58 8.818 2.026 -15.320 422 HG3 PRO 58 3HG PRO 58 10.180 2.697 -16.237 423 HD2 PRO 58 2HD PRO 58 9.683 3.373 -13.662 424 HD3 PRO 58 3HD PRO 58 10.403 4.505 -14.824 425 H VAL 59 H VAL 59 5.123 5.457 -15.477 426 HA VAL 59 HA VAL 59 3.809 3.613 -13.899 427 HB VAL 59 HB VAL 59 2.912 5.845 -14.539 428 HG11 VAL 59 1HG1 VAL 59 1.973 4.520 -17.072 429 HG12 VAL 59 2HG1 VAL 59 1.839 6.220 -16.616 430 HG13 VAL 59 3HG1 VAL 59 3.417 5.528 -16.993 431 HG21 VAL 59 3HG2 VAL 59 0.888 3.729 -15.199 432 HG22 VAL 59 1HG2 VAL 59 1.554 3.899 -13.575 433 HG23 VAL 59 2HG2 VAL 59 0.664 5.234 -14.307 434 H ALA 60 H ALA 60 2.362 1.905 -14.338 435 HA ALA 60 HA ALA 60 2.741 0.631 -16.970 436 HB1 ALA 60 1HB ALA 60 2.394 -1.544 -15.663 437 HB2 ALA 60 2HB ALA 60 3.948 -0.725 -15.499 438 HB3 ALA 60 3HB ALA 60 2.735 -0.580 -14.226 439 H GLU 61 H GLU 61 0.980 -1.332 -16.990 440 HA GLU 61 HA GLU 61 -1.617 -0.091 -16.363 441 HB2 GLU 61 2HB GLU 61 -2.467 -1.221 -18.453 442 HB3 GLU 61 3HB GLU 61 -1.361 0.120 -18.717 443 HG2 GLU 61 2HG GLU 61 0.464 -1.444 -19.101 444 HG3 GLU 61 3HG GLU 61 -0.626 -2.798 -18.807 445 H THR 62 H THR 62 -0.944 -1.564 -14.417 446 HA THR 62 HA THR 62 -2.566 -3.950 -14.640 447 HB THR 62 HB THR 62 0.227 -4.312 -13.575 448 HG1 THR 62 HG1 THR 62 -0.599 -5.138 -16.160 449 HG21 THR 62 3HG2 THR 62 -0.509 -6.721 -14.406 450 HG22 THR 62 1HG2 THR 62 -2.118 -6.046 -14.160 451 HG23 THR 62 2HG2 THR 62 -0.974 -6.107 -12.820 452 H VAL 63 H VAL 63 -3.232 -4.783 -12.619 453 HA VAL 63 HA VAL 63 -2.292 -3.648 -10.158 454 HB VAL 63 HB VAL 63 -3.727 -1.809 -10.968 455 HG11 VAL 63 1HG1 VAL 63 -6.231 -3.266 -10.528 456 HG12 VAL 63 2HG1 VAL 63 -5.809 -2.078 -11.763 457 HG13 VAL 63 3HG1 VAL 63 -5.338 -3.766 -11.964 458 HG21 VAL 63 3HG2 VAL 63 -4.992 -3.225 -8.628 459 HG22 VAL 63 1HG2 VAL 63 -3.461 -2.353 -8.541 460 HG23 VAL 63 2HG2 VAL 63 -4.947 -1.489 -8.938 461 H ASN 64 H ASN 64 -3.080 -4.728 -8.332 462 HA ASN 64 HA ASN 64 -4.705 -7.115 -8.921 463 HB2 ASN 64 2HB ASN 64 -2.341 -6.755 -7.086 464 HB3 ASN 64 3HB ASN 64 -3.460 -8.102 -6.903 465 HD21 ASN 64 1HD2 ASN 64 -2.272 -9.788 -7.526 466 HD22 ASN 64 2HD2 ASN 64 -1.506 -9.946 -9.066 467 H LEU 65 H LEU 65 -5.619 -8.044 -6.755 468 HA LEU 65 HA LEU 65 -6.354 -6.054 -4.799 469 HB2 LEU 65 2HB LEU 65 -8.756 -6.250 -5.151 470 HB3 LEU 65 3HB LEU 65 -7.949 -5.564 -6.560 471 HG LEU 65 HG LEU 65 -8.508 -8.489 -6.534 472 HD11 LEU 65 1HD1 LEU 65 -10.547 -6.732 -5.943 473 HD12 LEU 65 2HD1 LEU 65 -10.728 -8.343 -6.637 474 HD13 LEU 65 3HD1 LEU 65 -10.670 -6.931 -7.691 475 HD21 LEU 65 3HD2 LEU 65 -9.043 -6.773 -8.866 476 HD22 LEU 65 1HD2 LEU 65 -8.208 -8.323 -8.760 477 HD23 LEU 65 2HD2 LEU 65 -7.363 -6.835 -8.333 478 H TRP 66 H TRP 66 -7.222 -6.940 -2.913 479 HA TRP 66 HA TRP 66 -6.670 -9.761 -2.568 480 HB2 TRP 66 2HB TRP 66 -7.344 -7.503 -0.701 481 HB3 TRP 66 3HB TRP 66 -7.387 -9.174 -0.145 482 HD1 TRP 66 HD1 TRP 66 -4.800 -10.306 -1.526 483 HE1 TRP 66 HE1 TRP 66 -2.473 -9.513 -0.763 484 HE3 TRP 66 HE3 TRP 66 -6.127 -5.879 0.661 485 HZ2 TRP 66 HZ2 TRP 66 -1.349 -7.304 0.588 486 HZ3 TRP 66 HZ3 TRP 66 -4.366 -4.486 1.666 487 HH2 TRP 66 HH2 TRP 66 -2.027 -5.186 1.630 488 H GLU 67 H GLU 67 -8.241 -11.007 -3.451 489 HA GLU 67 HA GLU 67 -11.000 -10.533 -2.528 490 HB2 GLU 67 2HB GLU 67 -11.640 -11.862 -4.611 491 HB3 GLU 67 3HB GLU 67 -11.046 -10.227 -4.862 492 HG2 GLU 67 2HG GLU 67 -10.062 -11.642 -6.503 493 HG3 GLU 67 3HG GLU 67 -8.808 -11.174 -5.357 494 H VAL 68 H VAL 68 -8.965 -12.028 -1.124 495 HA VAL 68 HA VAL 68 -9.914 -14.794 -1.411 496 HB VAL 68 HB VAL 68 -7.478 -14.494 -1.478 497 HG11 VAL 68 1HG1 VAL 68 -7.873 -12.567 0.427 498 HG12 VAL 68 2HG1 VAL 68 -7.180 -13.892 1.364 499 HG13 VAL 68 3HG1 VAL 68 -6.312 -13.248 -0.030 500 HG21 VAL 68 3HG2 VAL 68 -7.114 -16.424 -0.374 501 HG22 VAL 68 1HG2 VAL 68 -7.779 -15.804 1.137 502 HG23 VAL 68 2HG2 VAL 68 -8.860 -16.391 -0.126 503 H GLU 69 H GLU 69 -9.804 -12.076 0.767 504 HA GLU 69 HA GLU 69 -10.405 -13.315 3.186 505 HB2 GLU 69 2HB GLU 69 -9.915 -10.801 2.559 506 HB3 GLU 69 3HB GLU 69 -11.669 -10.692 2.510 507 HG2 GLU 69 2HG GLU 69 -11.876 -11.232 4.782 508 HG3 GLU 69 3HG GLU 69 -10.215 -11.813 4.880 509 H HIS 70 H HIS 70 -11.937 -14.860 3.272 510 HA HIS 70 HA HIS 70 -14.495 -14.495 1.954 511 HB2 HIS 70 2HB HIS 70 -13.249 -16.706 2.067 512 HB3 HIS 70 3HB HIS 70 -13.689 -16.767 3.771 513 HD1 HIS 70 HD1 HIS 70 -15.727 -18.082 4.197 514 HD2 HIS 70 HD2 HIS 70 -15.774 -16.361 0.415 515 HE1 HIS 70 HE1 HIS 70 -17.865 -18.865 3.128 516 H HIS 71 H HIS 71 -16.475 -14.287 2.970 517 HA HIS 71 HA HIS 71 -16.423 -12.972 5.523 518 HB2 HIS 71 2HB HIS 71 -17.961 -12.458 3.520 519 HB3 HIS 71 3HB HIS 71 -18.916 -13.831 4.071 520 HD1 HIS 71 HD1 HIS 71 -17.527 -10.623 5.587 521 HD2 HIS 71 HD2 HIS 71 -20.852 -13.105 5.803 522 HE1 HIS 71 HE1 HIS 71 -19.099 -9.501 7.197 Start of MODEL 7 1 H1 MET 1 H MET 1 6.317 -3.201 -8.482 2 HA MET 1 HA MET 1 8.338 -1.578 -9.748 3 HB2 MET 1 2HB MET 1 7.253 -0.713 -7.064 4 HB3 MET 1 3HB MET 1 8.554 0.050 -7.969 5 HG2 MET 1 2HG MET 1 7.111 1.329 -9.043 6 HG3 MET 1 3HG MET 1 6.228 -0.085 -9.613 7 HE1 MET 1 3HE MET 1 3.825 -0.652 -8.863 8 HE2 MET 1 1HE MET 1 4.770 -1.480 -7.624 9 HE3 MET 1 2HE MET 1 3.358 -0.528 -7.166 10 H LYS 2 H LYS 2 9.561 -3.475 -9.661 11 HA LYS 2 HA LYS 2 10.647 -4.071 -6.999 12 HB2 LYS 2 2HB LYS 2 10.122 -6.232 -9.034 13 HB3 LYS 2 3HB LYS 2 10.570 -6.422 -7.344 14 HG2 LYS 2 2HG LYS 2 8.255 -5.052 -7.092 15 HG3 LYS 2 3HG LYS 2 7.939 -5.971 -8.565 16 HD2 LYS 2 2HD LYS 2 9.032 -7.271 -6.086 17 HD3 LYS 2 3HD LYS 2 7.299 -7.052 -6.337 18 HE2 LYS 2 2HE LYS 2 7.261 -8.485 -8.172 19 HE3 LYS 2 3HE LYS 2 8.999 -8.348 -8.435 20 HZ1 LYS 2 3HZ LYS 2 8.105 -9.506 -5.906 21 HZ2 LYS 2 1HZ LYS 2 9.455 -9.885 -6.852 22 HZ3 LYS 2 2HZ LYS 2 7.925 -10.451 -7.298 23 H THR 3 H THR 3 12.808 -4.821 -6.982 24 HA THR 3 HA THR 3 14.263 -4.806 -9.513 25 HB THR 3 HB THR 3 14.347 -2.470 -8.702 26 HG1 THR 3 HG1 THR 3 16.821 -3.880 -8.519 27 HG21 THR 3 3HG2 THR 3 15.870 -3.585 -6.348 28 HG22 THR 3 1HG2 THR 3 14.198 -3.030 -6.276 29 HG23 THR 3 2HG2 THR 3 15.489 -1.893 -6.664 30 H PHE 4 H PHE 4 16.373 -5.747 -9.378 31 HA PHE 4 HA PHE 4 16.503 -7.892 -7.483 32 HB2 PHE 4 2HB PHE 4 18.674 -7.078 -9.414 33 HB3 PHE 4 3HB PHE 4 18.381 -8.672 -8.726 34 HD1 PHE 4 HD1 PHE 4 15.638 -9.232 -9.159 35 HD2 PHE 4 HD2 PHE 4 18.335 -7.112 -11.678 36 HE1 PHE 4 HE1 PHE 4 14.272 -9.827 -11.117 37 HE2 PHE 4 HE2 PHE 4 16.973 -7.702 -13.640 38 HZ PHE 4 HZ PHE 4 14.938 -9.061 -13.361 39 H ALA 5 H ALA 5 17.725 -8.086 -5.693 40 HA ALA 5 HA ALA 5 19.074 -5.704 -4.723 41 HB1 ALA 5 1HB ALA 5 17.556 -6.930 -3.242 42 HB2 ALA 5 2HB ALA 5 18.598 -8.349 -3.353 43 HB3 ALA 5 3HB ALA 5 19.195 -6.874 -2.593 44 H LEU 6 H LEU 6 21.050 -5.452 -5.615 45 HA LEU 6 HA LEU 6 22.846 -7.761 -5.763 46 HB2 LEU 6 2HB LEU 6 23.033 -5.000 -6.953 47 HB3 LEU 6 3HB LEU 6 24.285 -6.231 -7.104 48 HG LEU 6 HG LEU 6 21.767 -7.288 -7.991 49 HD11 LEU 6 1HD1 LEU 6 21.555 -5.822 -10.004 50 HD12 LEU 6 2HD1 LEU 6 22.621 -4.669 -9.204 51 HD13 LEU 6 3HD1 LEU 6 21.060 -5.068 -8.488 52 HD21 LEU 6 3HD2 LEU 6 24.159 -7.973 -8.525 53 HD22 LEU 6 1HD2 LEU 6 24.178 -6.618 -9.654 54 HD23 LEU 6 2HD2 LEU 6 23.020 -7.931 -9.872 55 H GLN 7 H GLN 7 25.293 -6.796 -5.537 56 HA GLN 7 HA GLN 7 25.782 -6.582 -2.831 57 HB2 GLN 7 2HB GLN 7 27.370 -6.960 -4.917 58 HB3 GLN 7 3HB GLN 7 27.662 -5.237 -4.718 59 HG2 GLN 7 2HG GLN 7 28.400 -5.594 -2.441 60 HG3 GLN 7 3HG GLN 7 28.038 -7.314 -2.573 61 HE21 GLN 7 1HE2 GLN 7 30.532 -6.420 -1.842 62 HE22 GLN 7 2HE2 GLN 7 31.663 -6.782 -3.097 63 H GLY 8 H GLY 8 25.257 -5.050 -1.428 64 HA2 GLY 8 2HA GLY 8 25.046 -2.963 -0.476 65 HA3 GLY 8 3HA GLY 8 25.937 -2.313 -1.844 66 H ASP 9 H ASP 9 23.064 -4.173 -2.396 67 HA ASP 9 HA ASP 9 21.576 -1.691 -2.948 68 HB2 ASP 9 2HB ASP 9 22.022 -4.088 -4.673 69 HB3 ASP 9 3HB ASP 9 20.470 -3.260 -4.776 70 H THR 10 H THR 10 21.597 -3.562 -0.632 71 HA THR 10 HA THR 10 19.203 -5.098 -0.697 72 HB THR 10 HB THR 10 19.532 -5.498 1.624 73 HG1 THR 10 HG1 THR 10 21.542 -3.526 1.816 74 HG21 THR 10 3HG2 THR 10 21.944 -6.076 1.749 75 HG22 THR 10 1HG2 THR 10 22.207 -5.164 0.263 76 HG23 THR 10 2HG2 THR 10 21.183 -6.600 0.247 77 H LEU 11 H LEU 11 17.591 -4.641 1.255 78 HA LEU 11 HA LEU 11 15.952 -2.555 0.531 79 HB2 LEU 11 2HB LEU 11 16.153 -3.588 3.347 80 HB3 LEU 11 3HB LEU 11 14.735 -2.928 2.536 81 HG LEU 11 HG LEU 11 16.051 -5.590 2.011 82 HD11 LEU 11 1HD1 LEU 11 13.604 -6.264 2.604 83 HD12 LEU 11 2HD1 LEU 11 13.572 -4.697 3.412 84 HD13 LEU 11 3HD1 LEU 11 14.760 -5.910 3.889 85 HD21 LEU 11 3HD2 LEU 11 15.325 -4.772 -0.099 86 HD22 LEU 11 1HD2 LEU 11 13.809 -4.180 0.580 87 HD23 LEU 11 2HD2 LEU 11 14.103 -5.915 0.459 88 H ASP 12 H ASP 12 18.378 -2.598 3.123 89 HA ASP 12 HA ASP 12 17.933 -0.066 4.171 90 HB2 ASP 12 2HB ASP 12 19.436 -1.748 5.183 91 HB3 ASP 12 3HB ASP 12 20.593 -1.478 3.882 92 H ALA 13 H ALA 13 19.577 -1.031 1.249 93 HA ALA 13 HA ALA 13 20.662 1.623 0.790 94 HB1 ALA 13 1HB ALA 13 21.096 0.304 -1.533 95 HB2 ALA 13 2HB ALA 13 22.178 0.249 -0.141 96 HB3 ALA 13 3HB ALA 13 21.005 -1.042 -0.398 97 H ILE 14 H ILE 14 18.478 -0.560 -1.003 98 HA ILE 14 HA ILE 14 17.606 1.209 -2.927 99 HB ILE 14 HB ILE 14 16.014 -0.970 -1.572 100 HG12 ILE 14 2HG1 ILE 14 17.423 -1.035 -4.242 101 HG13 ILE 14 3HG1 ILE 14 18.184 -1.573 -2.749 102 HG21 ILE 14 1HG2 ILE 14 14.505 0.556 -2.670 103 HG22 ILE 14 2HG2 ILE 14 15.482 0.521 -4.137 104 HG23 ILE 14 3HG2 ILE 14 14.622 -0.927 -3.616 105 HD11 ILE 14 3HD1 ILE 14 15.710 -2.722 -4.018 106 HD12 ILE 14 1HD1 ILE 14 17.311 -3.460 -3.958 107 HD13 ILE 14 2HD1 ILE 14 16.389 -3.233 -2.472 108 H CYS 15 H CYS 15 16.280 0.695 0.324 109 HA CYS 15 HA CYS 15 14.092 2.411 0.148 110 HB2 CYS 15 2HB CYS 15 15.804 1.534 2.464 111 HB3 CYS 15 3HB CYS 15 14.449 2.633 2.691 112 HG CYS 15 HG CYS 15 13.009 0.562 3.280 113 H VAL 16 H VAL 16 17.475 3.094 0.526 114 HA VAL 16 HA VAL 16 17.027 5.854 1.302 115 HB VAL 16 HB VAL 16 19.585 4.398 0.619 116 HG11 VAL 16 1HG1 VAL 16 20.341 6.539 2.087 117 HG12 VAL 16 2HG1 VAL 16 20.346 6.498 0.323 118 HG13 VAL 16 3HG1 VAL 16 18.989 7.223 1.186 119 HG21 VAL 16 3HG2 VAL 16 18.266 3.721 2.699 120 HG22 VAL 16 1HG2 VAL 16 19.958 4.163 2.924 121 HG23 VAL 16 2HG2 VAL 16 18.685 5.311 3.336 122 H ARG 17 H ARG 17 17.757 4.010 -1.570 123 HA ARG 17 HA ARG 17 18.387 6.366 -3.136 124 HB2 ARG 17 2HB ARG 17 19.091 4.934 -4.783 125 HB3 ARG 17 3HB ARG 17 19.285 3.891 -3.381 126 HG2 ARG 17 2HG ARG 17 17.075 2.898 -3.858 127 HG3 ARG 17 3HG ARG 17 16.979 3.888 -5.315 128 HD2 ARG 17 2HD ARG 17 19.276 2.024 -4.795 129 HD3 ARG 17 3HD ARG 17 17.792 1.484 -5.580 130 HE ARG 17 HE ARG 17 18.732 3.772 -6.900 131 HH11 ARG 17 1HH1 ARG 17 19.588 0.434 -6.403 132 HH12 ARG 17 2HH1 ARG 17 20.420 0.287 -7.916 133 HH21 ARG 17 1HH2 ARG 17 19.825 3.591 -8.894 134 HH22 ARG 17 2HH2 ARG 17 20.555 2.083 -9.332 135 H TYR 18 H TYR 18 15.600 4.783 -2.130 136 HA TYR 18 HA TYR 18 14.054 5.772 -4.430 137 HB2 TYR 18 2HB TYR 18 13.777 3.445 -2.638 138 HB3 TYR 18 3HB TYR 18 12.274 4.276 -3.021 139 HD1 TYR 18 HD1 TYR 18 15.190 2.548 -4.512 140 HD2 TYR 18 HD2 TYR 18 11.252 4.030 -5.140 141 HE1 TYR 18 HE1 TYR 18 15.098 1.370 -6.669 142 HE2 TYR 18 HE2 TYR 18 11.148 2.855 -7.299 143 HH TYR 18 HH TYR 18 13.930 1.033 -8.535 144 H TYR 19 H TYR 19 13.584 5.330 -0.919 145 HA TYR 19 HA TYR 19 11.856 7.683 -0.884 146 HB2 TYR 19 2HB TYR 19 12.479 5.960 1.500 147 HB3 TYR 19 3HB TYR 19 11.042 6.928 1.185 148 HD1 TYR 19 HD1 TYR 19 9.399 6.149 -0.541 149 HD2 TYR 19 HD2 TYR 19 12.614 3.703 0.795 150 HE1 TYR 19 HE1 TYR 19 8.252 4.164 -1.434 151 HE2 TYR 19 HE2 TYR 19 11.477 1.712 -0.096 152 HH TYR 19 HH TYR 19 9.809 1.045 -1.561 153 H GLY 20 H GLY 20 14.927 6.533 0.389 154 HA2 GLY 20 2HA GLY 20 16.754 7.950 0.872 155 HA3 GLY 20 3HA GLY 20 15.637 9.299 1.023 156 H ARG 21 H ARG 21 14.899 6.317 2.618 157 HA ARG 21 HA ARG 21 16.179 6.924 5.093 158 HB2 ARG 21 2HB ARG 21 14.152 7.389 6.404 159 HB3 ARG 21 3HB ARG 21 14.444 8.632 5.195 160 HG2 ARG 21 2HG ARG 21 12.622 6.365 4.546 161 HG3 ARG 21 3HG ARG 21 12.047 7.684 5.567 162 HD2 ARG 21 2HD ARG 21 13.141 9.131 3.618 163 HD3 ARG 21 3HD ARG 21 12.776 7.675 2.693 164 HE ARG 21 HE ARG 21 10.573 8.255 2.759 165 HH11 ARG 21 1HH1 ARG 21 12.238 9.921 5.323 166 HH12 ARG 21 2HH1 ARG 21 10.855 10.853 5.792 167 HH21 ARG 21 1HH2 ARG 21 8.745 9.476 3.368 168 HH22 ARG 21 2HH2 ARG 21 8.868 10.598 4.680 169 H THR 22 H THR 22 15.676 5.356 6.767 170 HA THR 22 HA THR 22 14.558 2.870 5.645 171 HB THR 22 HB THR 22 16.023 1.811 7.531 172 HG1 THR 22 HG1 THR 22 17.426 4.248 7.058 173 HG21 THR 22 3HG2 THR 22 17.206 1.084 5.786 174 HG22 THR 22 1HG2 THR 22 17.947 2.669 5.568 175 HG23 THR 22 2HG2 THR 22 16.403 2.304 4.797 176 H GLU 23 H GLU 23 14.590 5.071 8.345 177 HA GLU 23 HA GLU 23 13.219 3.459 10.213 178 HB2 GLU 23 2HB GLU 23 14.452 5.543 10.780 179 HB3 GLU 23 3HB GLU 23 13.190 6.473 9.985 180 HG2 GLU 23 2HG GLU 23 11.555 5.537 11.593 181 HG3 GLU 23 3HG GLU 23 12.889 4.748 12.430 182 H GLY 24 H GLY 24 11.282 2.587 9.884 183 HA2 GLY 24 2HA GLY 24 8.932 2.736 9.769 184 HA3 GLY 24 3HA GLY 24 9.091 4.324 9.035 185 H VAL 25 H VAL 25 11.196 3.037 7.203 186 HA VAL 25 HA VAL 25 9.263 2.186 5.188 187 HB VAL 25 HB VAL 25 12.215 2.691 4.816 188 HG11 VAL 25 1HG1 VAL 25 10.172 3.003 2.677 189 HG12 VAL 25 2HG1 VAL 25 11.868 2.529 2.561 190 HG13 VAL 25 3HG1 VAL 25 10.666 1.374 3.137 191 HG21 VAL 25 3HG2 VAL 25 11.658 4.813 5.357 192 HG22 VAL 25 1HG2 VAL 25 11.037 4.843 3.707 193 HG23 VAL 25 2HG2 VAL 25 9.940 4.553 5.057 194 H VAL 26 H VAL 26 12.313 1.067 6.631 195 HA VAL 26 HA VAL 26 12.589 -1.331 5.267 196 HB VAL 26 HB VAL 26 13.888 -2.136 7.202 197 HG11 VAL 26 1HG1 VAL 26 14.461 0.759 6.584 198 HG12 VAL 26 2HG1 VAL 26 15.617 -0.463 7.115 199 HG13 VAL 26 3HG1 VAL 26 14.864 -0.591 5.524 200 HG21 VAL 26 3HG2 VAL 26 12.604 0.223 8.522 201 HG22 VAL 26 1HG2 VAL 26 12.783 -1.429 9.112 202 HG23 VAL 26 2HG2 VAL 26 14.180 -0.354 9.064 203 H GLU 27 H GLU 27 10.536 -0.522 7.994 204 HA GLU 27 HA GLU 27 9.818 -3.171 8.695 205 HB2 GLU 27 2HB GLU 27 8.448 -0.521 9.156 206 HB3 GLU 27 3HB GLU 27 7.849 -2.041 9.806 207 HG2 GLU 27 2HG GLU 27 10.527 -0.801 10.394 208 HG3 GLU 27 3HG GLU 27 9.126 -0.809 11.464 209 H THR 28 H THR 28 8.764 -0.995 6.217 210 HA THR 28 HA THR 28 6.271 -2.295 5.677 211 HB THR 28 HB THR 28 7.734 -0.648 3.639 212 HG1 THR 28 HG1 THR 28 7.920 0.607 5.470 213 HG21 THR 28 3HG2 THR 28 5.512 0.060 3.024 214 HG22 THR 28 1HG2 THR 28 4.819 -0.768 4.418 215 HG23 THR 28 2HG2 THR 28 5.544 -1.701 3.109 216 H VAL 29 H VAL 29 9.361 -2.163 3.893 217 HA VAL 29 HA VAL 29 8.723 -4.028 1.928 218 HB VAL 29 HB VAL 29 11.467 -3.612 3.118 219 HG11 VAL 29 1HG1 VAL 29 10.453 -5.179 0.921 220 HG12 VAL 29 2HG1 VAL 29 11.612 -3.974 0.355 221 HG13 VAL 29 3HG1 VAL 29 12.076 -5.126 1.608 222 HG21 VAL 29 3HG2 VAL 29 9.780 -1.887 1.411 223 HG22 VAL 29 1HG2 VAL 29 11.057 -1.459 2.549 224 HG23 VAL 29 2HG2 VAL 29 11.471 -2.048 0.939 225 H LEU 30 H LEU 30 10.350 -4.536 5.050 226 HA LEU 30 HA LEU 30 10.863 -7.242 4.863 227 HB2 LEU 30 2HB LEU 30 10.396 -5.345 7.081 228 HB3 LEU 30 3HB LEU 30 10.262 -7.058 7.471 229 HG LEU 30 HG LEU 30 12.691 -5.760 6.238 230 HD11 LEU 30 1HD1 LEU 30 13.716 -5.902 8.399 231 HD12 LEU 30 2HD1 LEU 30 12.284 -6.675 9.079 232 HD13 LEU 30 3HD1 LEU 30 12.211 -4.994 8.551 233 HD21 LEU 30 3HD2 LEU 30 13.507 -7.808 5.956 234 HD22 LEU 30 1HD2 LEU 30 11.897 -8.433 6.312 235 HD23 LEU 30 2HD2 LEU 30 13.084 -8.268 7.606 236 H ALA 31 H ALA 31 7.854 -5.606 5.658 237 HA ALA 31 HA ALA 31 6.438 -7.938 6.463 238 HB1 ALA 31 1HB ALA 31 5.943 -5.320 6.720 239 HB2 ALA 31 2HB ALA 31 4.917 -5.673 5.329 240 HB3 ALA 31 3HB ALA 31 4.689 -6.554 6.840 241 H ALA 32 H ALA 32 7.021 -6.369 3.392 242 HA ALA 32 HA ALA 32 5.035 -7.866 1.957 243 HB1 ALA 32 1HB ALA 32 6.933 -5.743 1.373 244 HB2 ALA 32 2HB ALA 32 6.810 -6.927 0.071 245 HB3 ALA 32 3HB ALA 32 5.365 -6.094 0.644 246 H ASN 33 H ASN 33 8.427 -8.236 2.707 247 HA ASN 33 HA ASN 33 8.399 -10.822 1.300 248 HB2 ASN 33 2HB ASN 33 10.399 -8.622 1.203 249 HB3 ASN 33 3HB ASN 33 11.017 -10.272 1.220 250 HD21 ASN 33 1HD2 ASN 33 8.786 -8.113 -0.450 251 HD22 ASN 33 2HD2 ASN 33 8.917 -8.881 -1.993 252 HA PRO 34 HA PRO 34 9.339 -11.409 5.811 253 HB2 PRO 34 2HB PRO 34 7.652 -13.512 6.129 254 HB3 PRO 34 3HB PRO 34 7.133 -11.830 6.294 255 HG2 PRO 34 2HG PRO 34 6.840 -13.682 3.961 256 HG3 PRO 34 3HG PRO 34 5.660 -12.549 4.645 257 HD2 PRO 34 2HD PRO 34 7.104 -11.985 2.425 258 HD3 PRO 34 3HD PRO 34 6.597 -10.734 3.577 259 H GLY 35 H GLY 35 10.504 -13.113 6.786 260 HA2 GLY 35 2HA GLY 35 11.554 -15.222 6.842 261 HA3 GLY 35 3HA GLY 35 11.134 -15.451 5.151 262 H LEU 36 H LEU 36 12.183 -12.653 4.618 263 HA LEU 36 HA LEU 36 14.732 -13.380 3.714 264 HB2 LEU 36 2HB LEU 36 13.099 -11.366 3.146 265 HB3 LEU 36 3HB LEU 36 14.152 -10.523 4.280 266 HG LEU 36 HG LEU 36 14.828 -10.154 1.960 267 HD11 LEU 36 1HD1 LEU 36 17.026 -11.869 2.888 268 HD12 LEU 36 2HD1 LEU 36 16.441 -10.689 4.061 269 HD13 LEU 36 3HD1 LEU 36 17.013 -10.152 2.482 270 HD21 LEU 36 3HD2 LEU 36 15.443 -13.100 1.843 271 HD22 LEU 36 1HD2 LEU 36 15.607 -11.910 0.551 272 HD23 LEU 36 2HD2 LEU 36 14.005 -12.368 1.130 273 H ALA 37 H ALA 37 13.656 -11.955 6.718 274 HA ALA 37 HA ALA 37 16.040 -10.931 7.708 275 HB1 ALA 37 1HB ALA 37 14.765 -10.492 9.470 276 HB2 ALA 37 2HB ALA 37 13.464 -11.401 8.699 277 HB3 ALA 37 3HB ALA 37 14.565 -12.211 9.814 278 H GLU 38 H GLU 38 15.041 -14.220 7.288 279 HA GLU 38 HA GLU 38 17.061 -15.294 9.060 280 HB2 GLU 38 2HB GLU 38 15.400 -16.807 7.046 281 HB3 GLU 38 3HB GLU 38 16.219 -17.452 8.461 282 HG2 GLU 38 2HG GLU 38 13.937 -15.495 8.565 283 HG3 GLU 38 3HG GLU 38 13.765 -17.242 8.717 284 H LEU 39 H LEU 39 16.728 -14.500 5.709 285 HA LEU 39 HA LEU 39 18.580 -16.149 4.495 286 HB2 LEU 39 2HB LEU 39 17.113 -14.508 3.353 287 HB3 LEU 39 3HB LEU 39 18.170 -13.218 3.923 288 HG LEU 39 HG LEU 39 19.977 -14.023 2.553 289 HD11 LEU 39 1HD1 LEU 39 18.122 -16.273 1.790 290 HD12 LEU 39 2HD1 LEU 39 19.596 -16.408 2.749 291 HD13 LEU 39 3HD1 LEU 39 19.689 -15.942 1.051 292 HD21 LEU 39 3HD2 LEU 39 17.406 -13.242 1.484 293 HD22 LEU 39 1HD2 LEU 39 18.330 -14.198 0.325 294 HD23 LEU 39 2HD2 LEU 39 19.027 -12.731 1.011 295 H GLY 40 H GLY 40 19.187 -12.962 5.978 296 HA2 GLY 40 2HA GLY 40 21.376 -13.332 7.422 297 HA3 GLY 40 3HA GLY 40 22.063 -13.431 5.808 298 H ALA 41 H ALA 41 23.258 -11.603 5.736 299 HA ALA 41 HA ALA 41 22.116 -9.075 6.609 300 HB1 ALA 41 1HB ALA 41 24.379 -8.182 5.945 301 HB2 ALA 41 2HB ALA 41 24.378 -9.384 7.236 302 HB3 ALA 41 3HB ALA 41 24.842 -9.848 5.599 303 H VAL 42 H VAL 42 24.039 -9.791 3.707 304 HA VAL 42 HA VAL 42 22.348 -7.966 2.182 305 HB VAL 42 HB VAL 42 24.845 -7.797 2.079 306 HG11 VAL 42 1HG1 VAL 42 26.137 -9.395 0.892 307 HG12 VAL 42 2HG1 VAL 42 25.186 -10.293 2.077 308 HG13 VAL 42 3HG1 VAL 42 24.699 -10.278 0.381 309 HG21 VAL 42 3HG2 VAL 42 22.935 -7.716 -0.046 310 HG22 VAL 42 1HG2 VAL 42 24.364 -6.713 0.201 311 HG23 VAL 42 2HG2 VAL 42 24.495 -8.231 -0.686 312 H LEU 43 H LEU 43 21.165 -8.540 0.398 313 HA LEU 43 HA LEU 43 20.378 -11.306 0.226 314 HB2 LEU 43 2HB LEU 43 19.518 -9.062 -1.581 315 HB3 LEU 43 3HB LEU 43 18.671 -10.573 -1.251 316 HG LEU 43 HG LEU 43 18.717 -9.521 1.226 317 HD11 LEU 43 1HD1 LEU 43 17.890 -7.048 0.492 318 HD12 LEU 43 2HD1 LEU 43 19.221 -7.308 -0.635 319 HD13 LEU 43 3HD1 LEU 43 19.502 -7.423 1.102 320 HD21 LEU 43 3HD2 LEU 43 16.661 -10.216 0.519 321 HD22 LEU 43 1HD2 LEU 43 16.789 -9.387 -1.032 322 HD23 LEU 43 2HD2 LEU 43 16.426 -8.470 0.431 323 HA PRO 44 HA PRO 44 22.912 -12.592 -3.122 324 HB2 PRO 44 2HB PRO 44 21.267 -14.367 -4.351 325 HB3 PRO 44 3HB PRO 44 22.049 -14.697 -2.801 326 HG2 PRO 44 2HG PRO 44 19.255 -13.778 -3.355 327 HG3 PRO 44 3HG PRO 44 19.823 -15.002 -2.205 328 HD2 PRO 44 2HD PRO 44 19.172 -12.485 -1.450 329 HD3 PRO 44 3HD PRO 44 20.440 -13.427 -0.640 330 H HIS 45 H HIS 45 23.420 -11.555 -4.938 331 HA HIS 45 HA HIS 45 21.823 -9.748 -6.278 332 HB2 HIS 45 2HB HIS 45 23.475 -9.793 -8.062 333 HB3 HIS 45 3HB HIS 45 24.284 -9.880 -6.500 334 HD1 HIS 45 HD1 HIS 45 25.501 -12.081 -5.916 335 HD2 HIS 45 HD2 HIS 45 23.710 -12.078 -9.665 336 HE1 HIS 45 HE1 HIS 45 26.434 -14.088 -7.109 337 H GLY 46 H GLY 46 20.193 -9.893 -7.681 338 HA2 GLY 46 2HA GLY 46 19.326 -10.896 -9.739 339 HA3 GLY 46 3HA GLY 46 19.811 -12.458 -9.097 340 H THR 47 H THR 47 18.737 -11.164 -6.424 341 HA THR 47 HA THR 47 16.090 -12.332 -6.724 342 HB THR 47 HB THR 47 17.541 -11.307 -4.277 343 HG1 THR 47 HG1 THR 47 16.969 -13.924 -5.252 344 HG21 THR 47 3HG2 THR 47 14.807 -12.506 -4.623 345 HG22 THR 47 1HG2 THR 47 15.265 -11.039 -3.760 346 HG23 THR 47 2HG2 THR 47 15.682 -12.620 -3.097 347 H ALA 48 H ALA 48 14.445 -11.101 -7.334 348 HA ALA 48 HA ALA 48 14.517 -8.254 -7.256 349 HB1 ALA 48 1HB ALA 48 12.746 -10.318 -8.303 350 HB2 ALA 48 2HB ALA 48 11.887 -8.899 -7.701 351 HB3 ALA 48 3HB ALA 48 13.128 -8.719 -8.942 352 H VAL 49 H VAL 49 13.114 -6.846 -6.096 353 HA VAL 49 HA VAL 49 11.848 -7.973 -3.701 354 HB VAL 49 HB VAL 49 13.637 -5.543 -3.598 355 HG11 VAL 49 1HG1 VAL 49 13.084 -6.886 -1.102 356 HG12 VAL 49 2HG1 VAL 49 12.841 -5.196 -1.549 357 HG13 VAL 49 3HG1 VAL 49 11.595 -6.392 -1.908 358 HG21 VAL 49 3HG2 VAL 49 14.198 -8.350 -2.646 359 HG22 VAL 49 1HG2 VAL 49 14.968 -7.546 -4.014 360 HG23 VAL 49 2HG2 VAL 49 15.227 -6.944 -2.377 361 H GLU 50 H GLU 50 9.855 -7.217 -3.444 362 HA GLU 50 HA GLU 50 8.780 -5.233 -5.170 363 HB2 GLU 50 2HB GLU 50 7.440 -7.105 -4.301 364 HB3 GLU 50 3HB GLU 50 7.595 -6.459 -2.674 365 HG2 GLU 50 2HG GLU 50 6.474 -4.667 -4.745 366 HG3 GLU 50 3HG GLU 50 5.472 -6.010 -4.198 367 H LEU 51 H LEU 51 8.328 -3.115 -4.837 368 HA LEU 51 HA LEU 51 9.305 -1.943 -2.319 369 HB2 LEU 51 2HB LEU 51 9.008 -0.641 -5.021 370 HB3 LEU 51 3HB LEU 51 9.662 0.115 -3.571 371 HG LEU 51 HG LEU 51 10.908 -2.193 -5.064 372 HD11 LEU 51 1HD1 LEU 51 12.642 -0.059 -5.114 373 HD12 LEU 51 2HD1 LEU 51 11.070 0.694 -5.381 374 HD13 LEU 51 3HD1 LEU 51 11.622 -0.598 -6.448 375 HD21 LEU 51 3HD2 LEU 51 11.302 -2.134 -2.593 376 HD22 LEU 51 1HD2 LEU 51 12.052 -0.552 -2.811 377 HD23 LEU 51 2HD2 LEU 51 12.759 -1.976 -3.576 378 HA PRO 52 HA PRO 52 4.811 -1.264 -1.980 379 HB2 PRO 52 2HB PRO 52 4.838 -1.096 0.729 380 HB3 PRO 52 3HB PRO 52 4.797 -2.636 -0.138 381 HG2 PRO 52 2HG PRO 52 7.127 -1.218 1.098 382 HG3 PRO 52 3HG PRO 52 6.713 -2.942 1.144 383 HD2 PRO 52 2HD PRO 52 8.586 -1.937 -0.533 384 HD3 PRO 52 3HD PRO 52 7.575 -3.334 -0.957 385 H ASP 53 H ASP 53 3.582 0.539 -1.162 386 HA ASP 53 HA ASP 53 3.182 2.761 -0.886 387 HB2 ASP 53 2HB ASP 53 5.646 2.348 0.773 388 HB3 ASP 53 3HB ASP 53 4.999 3.972 0.554 389 H VAL 54 H VAL 54 4.508 1.928 -3.274 390 HA VAL 54 HA VAL 54 6.122 4.322 -3.873 391 HB VAL 54 HB VAL 54 6.253 1.598 -5.171 392 HG11 VAL 54 1HG1 VAL 54 6.637 3.160 -6.896 393 HG12 VAL 54 2HG1 VAL 54 7.603 4.199 -5.846 394 HG13 VAL 54 3HG1 VAL 54 8.235 2.636 -6.365 395 HG21 VAL 54 3HG2 VAL 54 8.591 1.641 -4.295 396 HG22 VAL 54 1HG2 VAL 54 8.170 3.097 -3.394 397 HG23 VAL 54 2HG2 VAL 54 7.351 1.575 -3.043 398 H GLN 55 H GLN 55 5.678 5.484 -5.723 399 HA GLN 55 HA GLN 55 3.004 5.146 -6.785 400 HB2 GLN 55 2HB GLN 55 5.093 7.263 -7.328 401 HB3 GLN 55 3HB GLN 55 3.438 7.298 -7.920 402 HG2 GLN 55 2HG GLN 55 4.232 7.302 -5.017 403 HG3 GLN 55 3HG GLN 55 3.793 8.730 -5.954 404 HE21 GLN 55 1HE2 GLN 55 2.514 7.773 -3.590 405 HE22 GLN 55 2HE2 GLN 55 0.881 7.392 -4.008 406 H THR 56 H THR 56 2.613 5.326 -9.136 407 HA THR 56 HA THR 56 3.765 3.272 -10.571 408 HB THR 56 HB THR 56 2.791 5.634 -12.110 409 HG1 THR 56 HG1 THR 56 1.237 4.094 -10.292 410 HG21 THR 56 3HG2 THR 56 3.090 3.820 -13.502 411 HG22 THR 56 1HG2 THR 56 1.393 3.628 -13.064 412 HG23 THR 56 2HG2 THR 56 2.626 2.655 -12.262 413 H ALA 57 H ALA 57 5.013 3.420 -12.623 414 HA ALA 57 HA ALA 57 6.798 5.668 -12.933 415 HB1 ALA 57 1HB ALA 57 8.687 4.841 -12.062 416 HB2 ALA 57 2HB ALA 57 7.621 3.760 -11.163 417 HB3 ALA 57 3HB ALA 57 8.367 3.215 -12.666 418 HA PRO 58 HA PRO 58 6.887 4.357 -17.120 419 HB2 PRO 58 2HB PRO 58 9.398 5.038 -17.893 420 HB3 PRO 58 3HB PRO 58 8.132 6.231 -17.581 421 HG2 PRO 58 2HG PRO 58 10.373 5.340 -15.807 422 HG3 PRO 58 3HG PRO 58 9.766 6.979 -16.105 423 HD2 PRO 58 2HD PRO 58 9.109 5.562 -13.894 424 HD3 PRO 58 3HD PRO 58 8.000 6.726 -14.646 425 H VAL 59 H VAL 59 6.767 2.060 -16.342 426 HA VAL 59 HA VAL 59 9.003 0.574 -17.457 427 HB VAL 59 HB VAL 59 8.026 0.059 -14.644 428 HG11 VAL 59 1HG1 VAL 59 8.458 -2.062 -15.466 429 HG12 VAL 59 2HG1 VAL 59 9.766 -1.502 -16.510 430 HG13 VAL 59 3HG1 VAL 59 10.011 -1.606 -14.766 431 HG21 VAL 59 3HG2 VAL 59 9.515 1.878 -14.540 432 HG22 VAL 59 1HG2 VAL 59 10.487 0.463 -14.136 433 HG23 VAL 59 2HG2 VAL 59 10.590 1.174 -15.747 434 H ALA 60 H ALA 60 8.430 -1.417 -18.281 435 HA ALA 60 HA ALA 60 5.655 -1.804 -18.839 436 HB1 ALA 60 1HB ALA 60 6.857 -2.523 -20.624 437 HB2 ALA 60 2HB ALA 60 8.195 -3.104 -19.632 438 HB3 ALA 60 3HB ALA 60 6.720 -4.060 -19.770 439 H GLU 61 H GLU 61 4.420 -2.378 -17.128 440 HA GLU 61 HA GLU 61 4.912 -5.001 -15.963 441 HB2 GLU 61 2HB GLU 61 4.362 -2.619 -14.192 442 HB3 GLU 61 3HB GLU 61 4.698 -4.269 -13.686 443 HG2 GLU 61 2HG GLU 61 6.957 -3.951 -14.863 444 HG3 GLU 61 3HG GLU 61 6.575 -2.231 -14.814 445 H THR 62 H THR 62 2.958 -5.187 -14.147 446 HA THR 62 HA THR 62 0.484 -4.221 -15.377 447 HB THR 62 HB THR 62 -0.520 -6.515 -15.146 448 HG1 THR 62 HG1 THR 62 1.033 -8.252 -15.111 449 HG21 THR 62 3HG2 THR 62 1.587 -5.794 -17.125 450 HG22 THR 62 1HG2 THR 62 -0.146 -6.022 -17.357 451 HG23 THR 62 2HG2 THR 62 0.911 -7.422 -17.173 452 H VAL 63 H VAL 63 -1.421 -5.281 -13.934 453 HA VAL 63 HA VAL 63 -0.923 -5.680 -11.186 454 HB VAL 63 HB VAL 63 -0.316 -3.265 -11.320 455 HG11 VAL 63 1HG1 VAL 63 -1.970 -2.706 -13.100 456 HG12 VAL 63 2HG1 VAL 63 -3.244 -2.825 -11.884 457 HG13 VAL 63 3HG1 VAL 63 -1.987 -1.598 -11.728 458 HG21 VAL 63 3HG2 VAL 63 -1.223 -4.365 -9.264 459 HG22 VAL 63 1HG2 VAL 63 -1.497 -2.625 -9.345 460 HG23 VAL 63 2HG2 VAL 63 -2.814 -3.742 -9.702 461 H ASN 64 H ASN 64 -2.835 -6.038 -9.981 462 HA ASN 64 HA ASN 64 -5.075 -6.833 -11.606 463 HB2 ASN 64 2HB ASN 64 -5.060 -6.867 -8.600 464 HB3 ASN 64 3HB ASN 64 -5.872 -7.964 -9.713 465 HD21 ASN 64 1HD2 ASN 64 -4.919 -9.823 -10.178 466 HD22 ASN 64 2HD2 ASN 64 -3.283 -10.233 -9.805 467 H LEU 65 H LEU 65 -7.340 -6.360 -10.561 468 HA LEU 65 HA LEU 65 -7.780 -3.891 -9.276 469 HB2 LEU 65 2HB LEU 65 -6.946 -3.220 -11.608 470 HB3 LEU 65 3HB LEU 65 -8.507 -3.802 -12.185 471 HG LEU 65 HG LEU 65 -9.636 -2.138 -10.778 472 HD11 LEU 65 1HD1 LEU 65 -7.791 -0.284 -10.072 473 HD12 LEU 65 2HD1 LEU 65 -6.907 -1.777 -9.760 474 HD13 LEU 65 3HD1 LEU 65 -8.461 -1.493 -8.977 475 HD21 LEU 65 3HD2 LEU 65 -9.527 -0.735 -12.496 476 HD22 LEU 65 1HD2 LEU 65 -8.191 -1.698 -13.126 477 HD23 LEU 65 2HD2 LEU 65 -7.864 -0.297 -12.106 478 H TRP 66 H TRP 66 -10.065 -3.351 -9.119 479 HA TRP 66 HA TRP 66 -12.234 -3.914 -8.735 480 HB2 TRP 66 2HB TRP 66 -11.818 -5.566 -11.236 481 HB3 TRP 66 3HB TRP 66 -13.384 -5.237 -10.500 482 HD1 TRP 66 HD1 TRP 66 -13.933 -2.443 -10.302 483 HE1 TRP 66 HE1 TRP 66 -13.549 -0.662 -12.120 484 HE3 TRP 66 HE3 TRP 66 -10.499 -4.928 -13.161 485 HZ2 TRP 66 HZ2 TRP 66 -11.996 -0.352 -14.457 486 HZ3 TRP 66 HZ3 TRP 66 -9.615 -3.820 -15.171 487 HH2 TRP 66 HH2 TRP 66 -10.349 -1.579 -15.805 488 H GLU 67 H GLU 67 -10.826 -5.126 -6.958 489 HA GLU 67 HA GLU 67 -11.541 -7.981 -7.032 490 HB2 GLU 67 2HB GLU 67 -9.271 -6.480 -5.819 491 HB3 GLU 67 3HB GLU 67 -9.850 -7.912 -4.978 492 HG2 GLU 67 2HG GLU 67 -8.272 -8.873 -6.286 493 HG3 GLU 67 3HG GLU 67 -9.645 -8.973 -7.387 494 H VAL 68 H VAL 68 -13.737 -7.013 -6.474 495 HA VAL 68 HA VAL 68 -13.981 -6.336 -3.635 496 HB VAL 68 HB VAL 68 -16.340 -5.803 -4.175 497 HG11 VAL 68 1HG1 VAL 68 -15.809 -3.708 -4.842 498 HG12 VAL 68 2HG1 VAL 68 -14.162 -4.286 -4.580 499 HG13 VAL 68 3HG1 VAL 68 -14.844 -4.270 -6.207 500 HG21 VAL 68 3HG2 VAL 68 -16.103 -5.646 -7.021 501 HG22 VAL 68 1HG2 VAL 68 -15.790 -7.301 -6.495 502 HG23 VAL 68 2HG2 VAL 68 -17.300 -6.505 -6.051 503 H GLU 69 H GLU 69 -13.239 -8.950 -4.061 504 HA GLU 69 HA GLU 69 -15.707 -10.412 -3.384 505 HB2 GLU 69 2HB GLU 69 -14.640 -11.001 -5.620 506 HB3 GLU 69 3HB GLU 69 -13.294 -11.654 -4.698 507 HG2 GLU 69 2HG GLU 69 -14.676 -13.479 -5.224 508 HG3 GLU 69 3HG GLU 69 -14.960 -13.127 -3.520 509 H HIS 70 H HIS 70 -15.632 -10.583 -1.226 510 HA HIS 70 HA HIS 70 -13.689 -12.256 -0.003 511 HB2 HIS 70 2HB HIS 70 -12.784 -10.587 1.598 512 HB3 HIS 70 3HB HIS 70 -12.299 -10.270 -0.065 513 HD1 HIS 70 HD1 HIS 70 -14.629 -8.981 2.605 514 HD2 HIS 70 HD2 HIS 70 -13.070 -7.824 -1.068 515 HE1 HIS 70 HE1 HIS 70 -15.294 -6.572 2.321 516 H HIS 71 H HIS 71 -14.387 -13.039 1.954 517 HA HIS 71 HA HIS 71 -17.141 -12.532 2.610 518 HB2 HIS 71 2HB HIS 71 -15.996 -14.800 2.681 519 HB3 HIS 71 3HB HIS 71 -15.204 -14.253 4.156 520 HD1 HIS 71 HD1 HIS 71 -17.618 -16.490 3.520 521 HD2 HIS 71 HD2 HIS 71 -17.752 -12.962 5.710 522 HE1 HIS 71 HE1 HIS 71 -19.563 -16.749 5.093 Start of MODEL 8 1 H1 MET 1 H MET 1 3.277 0.302 1.265 2 HA MET 1 HA MET 1 3.585 -0.132 -1.634 3 HB2 MET 1 2HB MET 1 5.232 1.784 0.010 4 HB3 MET 1 3HB MET 1 5.132 1.673 -1.742 5 HG2 MET 1 2HG MET 1 2.889 2.529 0.072 6 HG3 MET 1 3HG MET 1 3.936 3.614 -0.840 7 HE1 MET 1 3HE MET 1 0.565 2.251 -0.737 8 HE2 MET 1 1HE MET 1 0.884 3.945 -1.110 9 HE3 MET 1 2HE MET 1 0.044 2.928 -2.281 10 H LYS 2 H LYS 2 3.943 -2.357 -0.373 11 HA LYS 2 HA LYS 2 6.803 -2.597 0.271 12 HB2 LYS 2 2HB LYS 2 6.263 -4.637 1.437 13 HB3 LYS 2 3HB LYS 2 5.186 -3.365 1.998 14 HG2 LYS 2 2HG LYS 2 3.586 -4.321 0.164 15 HG3 LYS 2 3HG LYS 2 4.586 -5.765 0.341 16 HD2 LYS 2 2HD LYS 2 4.003 -6.025 2.599 17 HD3 LYS 2 3HD LYS 2 3.388 -4.375 2.719 18 HE2 LYS 2 2HE LYS 2 1.471 -4.903 1.428 19 HE3 LYS 2 3HE LYS 2 2.145 -6.456 0.936 20 HZ1 LYS 2 3HZ LYS 2 1.871 -7.312 3.107 21 HZ2 LYS 2 1HZ LYS 2 0.411 -6.552 2.715 22 HZ3 LYS 2 2HZ LYS 2 1.508 -5.791 3.754 23 H THR 3 H THR 3 8.028 -4.304 -0.636 24 HA THR 3 HA THR 3 6.850 -5.738 -2.896 25 HB THR 3 HB THR 3 7.765 -3.764 -3.952 26 HG1 THR 3 HG1 THR 3 8.104 -5.737 -5.056 27 HG21 THR 3 3HG2 THR 3 9.562 -2.705 -3.172 28 HG22 THR 3 1HG2 THR 3 10.565 -4.122 -3.478 29 HG23 THR 3 2HG2 THR 3 9.730 -3.949 -1.934 30 H PHE 4 H PHE 4 8.168 -7.521 -3.651 31 HA PHE 4 HA PHE 4 9.450 -8.879 -1.475 32 HB2 PHE 4 2HB PHE 4 9.395 -9.780 -4.354 33 HB3 PHE 4 3HB PHE 4 9.536 -10.777 -2.910 34 HD1 PHE 4 HD2 PHE 4 7.466 -10.269 -1.192 35 HD2 PHE 4 HD1 PHE 4 7.391 -9.932 -5.435 36 HE1 PHE 4 HE2 PHE 4 5.026 -10.582 -1.170 37 HE2 PHE 4 HE1 PHE 4 4.950 -10.243 -5.419 38 HZ PHE 4 HZ PHE 4 3.765 -10.570 -3.286 39 H ALA 5 H ALA 5 11.515 -8.731 -0.935 40 HA ALA 5 HA ALA 5 13.401 -7.343 -2.590 41 HB1 ALA 5 1HB ALA 5 13.375 -7.175 -0.116 42 HB2 ALA 5 2HB ALA 5 13.918 -8.851 -0.032 43 HB3 ALA 5 3HB ALA 5 14.949 -7.627 -0.772 44 H LEU 6 H LEU 6 14.360 -8.271 -4.271 45 HA LEU 6 HA LEU 6 14.985 -11.142 -4.141 46 HB2 LEU 6 2HB LEU 6 14.748 -9.339 -6.545 47 HB3 LEU 6 3HB LEU 6 15.095 -11.066 -6.584 48 HG LEU 6 HG LEU 6 12.666 -10.687 -5.155 49 HD11 LEU 6 1HD1 LEU 6 12.525 -9.474 -7.898 50 HD12 LEU 6 2HD1 LEU 6 12.698 -8.496 -6.441 51 HD13 LEU 6 3HD1 LEU 6 11.280 -9.523 -6.650 52 HD21 LEU 6 3HD2 LEU 6 12.642 -11.677 -7.940 53 HD22 LEU 6 1HD2 LEU 6 11.980 -12.395 -6.471 54 HD23 LEU 6 2HD2 LEU 6 13.707 -12.516 -6.811 55 H GLN 7 H GLN 7 16.907 -11.500 -5.919 56 HA GLN 7 HA GLN 7 19.258 -10.823 -4.650 57 HB2 GLN 7 2HB GLN 7 20.413 -11.525 -6.676 58 HB3 GLN 7 3HB GLN 7 19.071 -12.607 -6.331 59 HG2 GLN 7 2HG GLN 7 17.885 -10.799 -7.970 60 HG3 GLN 7 3HG GLN 7 19.527 -10.831 -8.612 61 HE21 GLN 7 1HE2 GLN 7 19.514 -12.065 -10.350 62 HE22 GLN 7 2HE2 GLN 7 18.797 -13.632 -10.477 63 H GLY 8 H GLY 8 20.386 -9.006 -4.446 64 HA2 GLY 8 2HA GLY 8 21.229 -6.909 -4.862 65 HA3 GLY 8 3HA GLY 8 20.803 -7.155 -6.550 66 H ASP 9 H ASP 9 18.257 -7.493 -4.282 67 HA ASP 9 HA ASP 9 17.326 -4.763 -4.878 68 HB2 ASP 9 2HB ASP 9 15.865 -7.374 -5.100 69 HB3 ASP 9 3HB ASP 9 14.976 -5.894 -4.755 70 H THR 10 H THR 10 18.689 -5.995 -2.523 71 HA THR 10 HA THR 10 16.768 -6.222 -0.426 72 HB THR 10 HB THR 10 18.588 -6.402 1.073 73 HG1 THR 10 HG1 THR 10 20.733 -5.754 0.390 74 HG21 THR 10 3HG2 THR 10 19.984 -8.074 0.082 75 HG22 THR 10 1HG2 THR 10 19.676 -7.451 -1.538 76 HG23 THR 10 2HG2 THR 10 18.380 -8.231 -0.632 77 H LEU 11 H LEU 11 17.283 -4.756 1.627 78 HA LEU 11 HA LEU 11 16.144 -2.290 1.218 79 HB2 LEU 11 2HB LEU 11 18.040 -3.181 3.380 80 HB3 LEU 11 3HB LEU 11 17.161 -1.655 3.424 81 HG LEU 11 HG LEU 11 15.777 -4.323 3.263 82 HD11 LEU 11 1HD1 LEU 11 16.693 -4.652 5.306 83 HD12 LEU 11 2HD1 LEU 11 15.370 -3.596 5.799 84 HD13 LEU 11 3HD1 LEU 11 16.989 -2.934 5.575 85 HD21 LEU 11 3HD2 LEU 11 13.830 -3.178 3.659 86 HD22 LEU 11 1HD2 LEU 11 14.715 -1.989 2.703 87 HD23 LEU 11 2HD2 LEU 11 14.651 -1.837 4.459 88 H ASP 12 H ASP 12 19.582 -3.115 1.270 89 HA ASP 12 HA ASP 12 20.681 -0.571 1.178 90 HB2 ASP 12 2HB ASP 12 22.201 -2.337 1.469 91 HB3 ASP 12 3HB ASP 12 21.588 -3.215 0.069 92 H ALA 13 H ALA 13 19.289 -2.512 -1.403 93 HA ALA 13 HA ALA 13 20.015 -0.562 -3.429 94 HB1 ALA 13 1HB ALA 13 18.258 -2.361 -4.591 95 HB2 ALA 13 2HB ALA 13 20.020 -2.430 -4.640 96 HB3 ALA 13 3HB ALA 13 19.137 -3.322 -3.401 97 H ILE 14 H ILE 14 16.984 -1.953 -2.162 98 HA ILE 14 HA ILE 14 15.172 -0.384 -3.516 99 HB ILE 14 HB ILE 14 14.960 -1.350 -0.662 100 HG12 ILE 14 2HG1 ILE 14 13.840 -2.589 -3.180 101 HG13 ILE 14 3HG1 ILE 14 15.370 -3.077 -2.460 102 HG21 ILE 14 1HG2 ILE 14 12.531 -1.154 -0.995 103 HG22 ILE 14 2HG2 ILE 14 13.347 0.405 -1.095 104 HG23 ILE 14 3HG2 ILE 14 12.821 -0.410 -2.567 105 HD11 ILE 14 3HD1 ILE 14 13.180 -3.069 -0.553 106 HD12 ILE 14 1HD1 ILE 14 12.909 -4.153 -1.917 107 HD13 ILE 14 2HD1 ILE 14 14.358 -4.326 -0.927 108 H CYS 15 H CYS 15 16.729 0.328 -0.398 109 HA CYS 15 HA CYS 15 15.483 2.768 0.109 110 HB2 CYS 15 2HB CYS 15 18.191 1.695 0.886 111 HB3 CYS 15 3HB CYS 15 17.614 3.263 1.437 112 HG CYS 15 HG CYS 15 16.553 0.167 2.319 113 H VAL 16 H VAL 16 18.063 1.953 -2.072 114 HA VAL 16 HA VAL 16 18.808 4.722 -2.521 115 HB VAL 16 HB VAL 16 19.723 2.189 -3.891 116 HG11 VAL 16 1HG1 VAL 16 21.650 3.948 -4.457 117 HG12 VAL 16 2HG1 VAL 16 20.260 3.684 -5.511 118 HG13 VAL 16 3HG1 VAL 16 20.276 5.052 -4.397 119 HG21 VAL 16 3HG2 VAL 16 20.319 2.551 -1.450 120 HG22 VAL 16 1HG2 VAL 16 21.667 2.304 -2.560 121 HG23 VAL 16 2HG2 VAL 16 21.278 3.928 -1.992 122 H ARG 17 H ARG 17 16.833 2.252 -3.992 123 HA ARG 17 HA ARG 17 16.477 3.746 -6.449 124 HB2 ARG 17 2HB ARG 17 15.472 1.872 -7.300 125 HB3 ARG 17 3HB ARG 17 16.444 1.130 -6.036 126 HG2 ARG 17 2HG ARG 17 14.472 1.177 -4.546 127 HG3 ARG 17 3HG ARG 17 13.516 1.809 -5.888 128 HD2 ARG 17 2HD ARG 17 15.083 -0.687 -6.305 129 HD3 ARG 17 3HD ARG 17 13.602 -0.773 -5.351 130 HE ARG 17 HE ARG 17 13.183 0.605 -7.803 131 HH11 ARG 17 1HH1 ARG 17 13.549 -2.570 -6.423 132 HH12 ARG 17 2HH1 ARG 17 12.629 -3.357 -7.663 133 HH21 ARG 17 1HH2 ARG 17 11.970 -0.419 -9.440 134 HH22 ARG 17 2HH2 ARG 17 11.732 -2.133 -9.379 135 H TYR 18 H TYR 18 15.149 3.776 -3.360 136 HA TYR 18 HA TYR 18 12.613 4.914 -4.323 137 HB2 TYR 18 2HB TYR 18 13.368 3.332 -1.944 138 HB3 TYR 18 3HB TYR 18 12.235 4.647 -1.651 139 HD1 TYR 18 HD1 TYR 18 12.744 1.435 -3.342 140 HD2 TYR 18 HD2 TYR 18 9.994 4.588 -2.569 141 HE1 TYR 18 HE1 TYR 18 10.903 0.020 -4.154 142 HE2 TYR 18 HE2 TYR 18 8.145 3.181 -3.378 143 HH TYR 18 HH TYR 18 8.734 0.018 -4.812 144 H TYR 19 H TYR 19 14.848 5.372 -1.577 145 HA TYR 19 HA TYR 19 14.167 8.211 -1.539 146 HB2 TYR 19 2HB TYR 19 16.003 6.809 0.394 147 HB3 TYR 19 3HB TYR 19 15.083 8.290 0.638 148 HD1 TYR 19 HD2 TYR 19 12.649 8.184 1.033 149 HD2 TYR 19 HD1 TYR 19 15.007 4.656 0.734 150 HE1 TYR 19 HE2 TYR 19 10.830 6.889 2.064 151 HE2 TYR 19 HE1 TYR 19 13.195 3.350 1.763 152 HH TYR 19 HH TYR 19 11.033 3.378 2.392 153 H GLY 20 H GLY 20 16.890 6.058 -2.098 154 HA2 GLY 20 2HA GLY 20 18.685 6.572 -3.545 155 HA3 GLY 20 3HA GLY 20 18.320 8.280 -3.352 156 H ARG 21 H ARG 21 18.479 6.278 -0.537 157 HA ARG 21 HA ARG 21 21.254 6.662 0.006 158 HB2 ARG 21 2HB ARG 21 21.043 8.229 1.861 159 HB3 ARG 21 3HB ARG 21 20.468 8.963 0.369 160 HG2 ARG 21 2HG ARG 21 18.487 7.626 2.134 161 HG3 ARG 21 3HG ARG 21 19.136 9.192 2.625 162 HD2 ARG 21 2HD ARG 21 18.568 9.763 0.084 163 HD3 ARG 21 3HD ARG 21 17.382 8.484 0.342 164 HE ARG 21 HE ARG 21 16.993 10.068 2.478 165 HH11 ARG 21 1HH1 ARG 21 17.225 10.742 -0.929 166 HH12 ARG 21 2HH1 ARG 21 16.167 12.112 -0.863 167 HH21 ARG 21 1HH2 ARG 21 15.599 11.870 2.579 168 HH22 ARG 21 2HH2 ARG 21 15.244 12.754 1.133 169 H THR 22 H THR 22 21.875 5.825 2.118 170 HA THR 22 HA THR 22 19.872 3.934 3.169 171 HB THR 22 HB THR 22 22.082 2.757 4.012 172 HG1 THR 22 HG1 THR 22 23.774 3.056 2.503 173 HG21 THR 22 3HG2 THR 22 20.561 2.591 1.499 174 HG22 THR 22 1HG2 THR 22 20.947 1.336 2.676 175 HG23 THR 22 2HG2 THR 22 22.141 1.809 1.467 176 H GLU 23 H GLU 23 22.084 6.472 3.920 177 HA GLU 23 HA GLU 23 22.232 5.968 6.736 178 HB2 GLU 23 2HB GLU 23 23.871 7.314 5.262 179 HB3 GLU 23 3HB GLU 23 22.727 8.637 5.442 180 HG2 GLU 23 2HG GLU 23 22.953 8.225 7.963 181 HG3 GLU 23 3HG GLU 23 24.389 7.295 7.537 182 H GLY 24 H GLY 24 20.508 6.125 8.010 183 HA2 GLY 24 2HA GLY 24 18.955 7.460 9.210 184 HA3 GLY 24 3HA GLY 24 18.860 8.543 7.828 185 H VAL 25 H VAL 25 18.639 5.982 6.131 186 HA VAL 25 HA VAL 25 15.728 5.813 6.350 187 HB VAL 25 HB VAL 25 17.484 4.712 4.155 188 HG11 VAL 25 1HG1 VAL 25 14.698 5.517 3.646 189 HG12 VAL 25 2HG1 VAL 25 15.603 4.118 3.063 190 HG13 VAL 25 3HG1 VAL 25 14.907 4.107 4.684 191 HG21 VAL 25 3HG2 VAL 25 17.886 7.038 4.138 192 HG22 VAL 25 1HG2 VAL 25 16.665 6.756 2.897 193 HG23 VAL 25 2HG2 VAL 25 16.193 7.411 4.465 194 H VAL 26 H VAL 26 18.584 3.717 6.217 195 HA VAL 26 HA VAL 26 17.329 1.241 6.299 196 HB VAL 26 HB VAL 26 19.407 0.386 7.349 197 HG11 VAL 26 1HG1 VAL 26 19.368 2.082 4.920 198 HG12 VAL 26 2HG1 VAL 26 20.944 1.545 5.506 199 HG13 VAL 26 3HG1 VAL 26 19.703 0.360 5.096 200 HG21 VAL 26 3HG2 VAL 26 21.122 2.568 7.253 201 HG22 VAL 26 1HG2 VAL 26 19.682 3.175 8.071 202 HG23 VAL 26 2HG2 VAL 26 20.525 1.760 8.702 203 H GLU 27 H GLU 27 17.713 3.622 8.785 204 HA GLU 27 HA GLU 27 17.200 1.835 10.977 205 HB2 GLU 27 2HB GLU 27 17.461 4.805 10.676 206 HB3 GLU 27 3HB GLU 27 16.782 4.135 12.153 207 HG2 GLU 27 2HG GLU 27 19.470 3.380 11.034 208 HG3 GLU 27 3HG GLU 27 19.214 4.614 12.266 209 H THR 28 H THR 28 15.311 3.825 8.836 210 HA THR 28 HA THR 28 12.935 3.887 10.398 211 HB THR 28 HB THR 28 12.749 4.021 7.430 212 HG1 THR 28 HG1 THR 28 14.353 5.684 9.033 213 HG21 THR 28 3HG2 THR 28 11.753 6.276 8.921 214 HG22 THR 28 1HG2 THR 28 11.171 4.767 9.623 215 HG23 THR 28 2HG2 THR 28 10.873 5.121 7.921 216 H VAL 29 H VAL 29 13.595 2.122 7.364 217 HA VAL 29 HA VAL 29 11.382 0.473 7.389 218 HB VAL 29 HB VAL 29 14.124 -0.323 6.403 219 HG11 VAL 29 1HG1 VAL 29 11.370 -1.386 6.005 220 HG12 VAL 29 2HG1 VAL 29 12.522 -1.482 4.672 221 HG13 VAL 29 3HG1 VAL 29 12.893 -2.249 6.217 222 HG21 VAL 29 3HG2 VAL 29 12.537 0.562 4.269 223 HG22 VAL 29 1HG2 VAL 29 12.363 1.776 5.536 224 HG23 VAL 29 2HG2 VAL 29 13.966 1.346 4.942 225 H LEU 30 H LEU 30 14.495 0.020 8.992 226 HA LEU 30 HA LEU 30 14.240 -2.607 9.829 227 HB2 LEU 30 2HB LEU 30 15.686 -0.219 10.812 228 HB3 LEU 30 3HB LEU 30 15.524 -1.569 11.934 229 HG LEU 30 HG LEU 30 16.730 -1.802 9.180 230 HD11 LEU 30 1HD1 LEU 30 18.687 -2.147 11.156 231 HD12 LEU 30 2HD1 LEU 30 17.824 -0.667 11.575 232 HD13 LEU 30 3HD1 LEU 30 18.558 -0.838 9.980 233 HD21 LEU 30 3HD2 LEU 30 17.126 -3.673 11.482 234 HD22 LEU 30 1HD2 LEU 30 17.324 -3.967 9.754 235 HD23 LEU 30 2HD2 LEU 30 15.707 -3.817 10.443 236 H ALA 31 H ALA 31 13.142 0.346 11.476 237 HA ALA 31 HA ALA 31 12.074 -0.882 13.753 238 HB1 ALA 31 1HB ALA 31 12.420 1.664 13.033 239 HB2 ALA 31 2HB ALA 31 10.692 1.517 12.709 240 HB3 ALA 31 3HB ALA 31 11.319 1.178 14.322 241 H ALA 32 H ALA 32 10.688 -0.297 10.568 242 HA ALA 32 HA ALA 32 8.048 -1.143 11.303 243 HB1 ALA 32 1HB ALA 32 7.693 0.073 9.468 244 HB2 ALA 32 2HB ALA 32 9.366 -0.095 8.932 245 HB3 ALA 32 3HB ALA 32 8.189 -1.355 8.560 246 H ASN 33 H ASN 33 10.945 -2.706 10.252 247 HA ASN 33 HA ASN 33 9.530 -5.277 10.277 248 HB2 ASN 33 2HB ASN 33 11.223 -4.151 8.094 249 HB3 ASN 33 3HB ASN 33 11.336 -5.878 8.422 250 HD21 ASN 33 1HD2 ASN 33 9.166 -3.277 7.530 251 HD22 ASN 33 2HD2 ASN 33 7.973 -4.276 6.779 252 HA PRO 34 HA PRO 34 13.263 -5.258 13.038 253 HB2 PRO 34 2HB PRO 34 12.001 -6.424 15.140 254 HB3 PRO 34 3HB PRO 34 11.996 -4.678 14.865 255 HG2 PRO 34 2HG PRO 34 9.891 -6.704 14.212 256 HG3 PRO 34 3HG PRO 34 9.707 -5.087 14.916 257 HD2 PRO 34 2HD PRO 34 9.246 -5.597 12.297 258 HD3 PRO 34 3HD PRO 34 9.878 -4.040 12.870 259 H GLY 35 H GLY 35 14.630 -6.962 13.324 260 HA2 GLY 35 2HA GLY 35 15.223 -9.225 13.608 261 HA3 GLY 35 3HA GLY 35 13.593 -9.687 13.141 262 H LEU 36 H LEU 36 14.143 -7.590 10.850 263 HA LEU 36 HA LEU 36 14.848 -9.584 8.913 264 HB2 LEU 36 2HB LEU 36 13.311 -7.392 8.805 265 HB3 LEU 36 3HB LEU 36 14.806 -6.725 8.153 266 HG LEU 36 HG LEU 36 13.279 -7.446 6.385 267 HD11 LEU 36 1HD1 LEU 36 15.900 -7.742 6.394 268 HD12 LEU 36 2HD1 LEU 36 14.912 -8.311 5.049 269 HD13 LEU 36 3HD1 LEU 36 15.471 -9.448 6.275 270 HD21 LEU 36 3HD2 LEU 36 13.554 -10.261 6.543 271 HD22 LEU 36 1HD2 LEU 36 12.078 -9.297 6.592 272 HD23 LEU 36 2HD2 LEU 36 12.922 -9.693 8.089 273 H ALA 37 H ALA 37 16.498 -7.031 10.596 274 HA ALA 37 HA ALA 37 18.715 -6.767 8.851 275 HB1 ALA 37 1HB ALA 37 19.550 -6.186 11.483 276 HB2 ALA 37 2HB ALA 37 19.079 -5.055 10.213 277 HB3 ALA 37 3HB ALA 37 17.871 -5.665 11.344 278 H GLU 38 H GLU 38 17.772 -9.248 10.959 279 HA GLU 38 HA GLU 38 20.338 -10.196 11.744 280 HB2 GLU 38 2HB GLU 38 17.555 -11.255 11.806 281 HB3 GLU 38 3HB GLU 38 18.872 -12.409 11.962 282 HG2 GLU 38 2HG GLU 38 18.553 -11.936 14.150 283 HG3 GLU 38 3HG GLU 38 19.706 -10.661 13.762 284 H LEU 39 H LEU 39 18.430 -10.501 8.881 285 HA LEU 39 HA LEU 39 19.317 -12.875 7.785 286 HB2 LEU 39 2HB LEU 39 17.674 -11.006 6.921 287 HB3 LEU 39 3HB LEU 39 19.102 -10.474 6.035 288 HG LEU 39 HG LEU 39 18.095 -11.801 4.467 289 HD11 LEU 39 1HD1 LEU 39 20.381 -12.641 4.994 290 HD12 LEU 39 2HD1 LEU 39 19.318 -13.843 4.262 291 HD13 LEU 39 3HD1 LEU 39 19.637 -13.888 5.996 292 HD21 LEU 39 3HD2 LEU 39 17.109 -13.425 6.787 293 HD22 LEU 39 1HD2 LEU 39 17.045 -14.047 5.137 294 HD23 LEU 39 2HD2 LEU 39 16.181 -12.567 5.555 295 H GLY 40 H GLY 40 20.780 -9.647 7.357 296 HA2 GLY 40 2HA GLY 40 23.063 -9.149 7.280 297 HA3 GLY 40 3HA GLY 40 23.414 -10.870 7.237 298 H ALA 41 H ALA 41 23.540 -11.935 5.275 299 HA ALA 41 HA ALA 41 24.407 -10.443 3.066 300 HB1 ALA 41 1HB ALA 41 24.399 -13.120 3.796 301 HB2 ALA 41 2HB ALA 41 23.442 -13.064 2.316 302 HB3 ALA 41 3HB ALA 41 25.086 -12.428 2.326 303 H VAL 42 H VAL 42 23.251 -11.444 0.815 304 HA VAL 42 HA VAL 42 21.114 -9.749 0.340 305 HB VAL 42 HB VAL 42 21.659 -12.345 -1.107 306 HG11 VAL 42 1HG1 VAL 42 20.348 -9.827 -2.119 307 HG12 VAL 42 2HG1 VAL 42 20.520 -11.363 -2.971 308 HG13 VAL 42 3HG1 VAL 42 19.467 -11.248 -1.560 309 HG21 VAL 42 3HG2 VAL 42 22.728 -10.373 -2.650 310 HG22 VAL 42 1HG2 VAL 42 23.101 -9.793 -1.026 311 HG23 VAL 42 2HG2 VAL 42 23.646 -11.390 -1.540 312 H LEU 43 H LEU 43 18.947 -9.867 0.547 313 HA LEU 43 HA LEU 43 17.829 -11.823 2.284 314 HB2 LEU 43 2HB LEU 43 16.275 -9.929 0.545 315 HB3 LEU 43 3HB LEU 43 15.798 -10.629 2.091 316 HG LEU 43 HG LEU 43 18.129 -8.752 1.912 317 HD11 LEU 43 1HD1 LEU 43 16.698 -6.876 2.287 318 HD12 LEU 43 2HD1 LEU 43 15.269 -7.909 2.341 319 HD13 LEU 43 3HD1 LEU 43 16.148 -7.697 0.826 320 HD21 LEU 43 3HD2 LEU 43 16.335 -9.838 4.032 321 HD22 LEU 43 1HD2 LEU 43 17.068 -8.249 4.254 322 HD23 LEU 43 2HD2 LEU 43 18.091 -9.666 4.018 323 HA PRO 44 HA PRO 44 16.475 -14.926 -0.511 324 HB2 PRO 44 2HB PRO 44 14.202 -15.765 0.713 325 HB3 PRO 44 3HB PRO 44 15.817 -16.126 1.334 326 HG2 PRO 44 2HG PRO 44 13.889 -14.002 2.190 327 HG3 PRO 44 3HG PRO 44 14.897 -15.067 3.188 328 HD2 PRO 44 2HD PRO 44 15.569 -12.497 2.663 329 HD3 PRO 44 3HD PRO 44 16.781 -13.774 2.887 330 H HIS 45 H HIS 45 15.700 -14.475 -2.472 331 HA HIS 45 HA HIS 45 13.900 -12.503 -3.162 332 HB2 HIS 45 2HB HIS 45 13.575 -13.804 -5.289 333 HB3 HIS 45 3HB HIS 45 15.257 -13.515 -4.857 334 HD1 HIS 45 HD1 HIS 45 12.819 -16.202 -5.496 335 HD2 HIS 45 HD2 HIS 45 16.638 -15.840 -3.899 336 HE1 HIS 45 HE1 HIS 45 13.748 -18.539 -5.438 337 H GLY 46 H GLY 46 11.935 -12.286 -2.278 338 HA2 GLY 46 2HA GLY 46 9.640 -13.312 -2.894 339 HA3 GLY 46 3HA GLY 46 10.253 -14.679 -1.976 340 H THR 47 H THR 47 11.633 -12.306 -0.378 341 HA THR 47 HA THR 47 9.526 -12.224 1.626 342 HB THR 47 HB THR 47 12.391 -11.263 1.713 343 HG1 THR 47 HG1 THR 47 11.606 -13.647 1.808 344 HG21 THR 47 3HG2 THR 47 11.540 -9.905 3.328 345 HG22 THR 47 1HG2 THR 47 11.681 -11.375 4.291 346 HG23 THR 47 2HG2 THR 47 10.125 -10.924 3.593 347 H ALA 48 H ALA 48 8.083 -10.639 1.604 348 HA ALA 48 HA ALA 48 8.526 -8.198 0.153 349 HB1 ALA 48 1HB ALA 48 6.298 -9.639 0.855 350 HB2 ALA 48 2HB ALA 48 6.209 -8.236 1.921 351 HB3 ALA 48 3HB ALA 48 6.300 -8.011 0.174 352 H VAL 49 H VAL 49 8.801 -6.145 0.952 353 HA VAL 49 HA VAL 49 9.167 -5.873 3.859 354 HB VAL 49 HB VAL 49 10.974 -4.601 1.802 355 HG11 VAL 49 1HG1 VAL 49 10.619 -4.328 4.699 356 HG12 VAL 49 2HG1 VAL 49 12.290 -4.564 4.184 357 HG13 VAL 49 3HG1 VAL 49 11.346 -3.222 3.534 358 HG21 VAL 49 3HG2 VAL 49 11.427 -6.938 1.745 359 HG22 VAL 49 1HG2 VAL 49 12.690 -6.188 2.721 360 HG23 VAL 49 2HG2 VAL 49 11.370 -7.056 3.504 361 H GLU 50 H GLU 50 8.251 -4.117 4.746 362 HA GLU 50 HA GLU 50 6.629 -2.418 3.085 363 HB2 GLU 50 2HB GLU 50 5.747 -3.132 5.217 364 HB3 GLU 50 3HB GLU 50 7.129 -2.453 6.064 365 HG2 GLU 50 2HG GLU 50 5.223 -1.016 6.336 366 HG3 GLU 50 3HG GLU 50 6.440 -0.205 5.352 367 H LEU 51 H LEU 51 6.946 -0.315 2.555 368 HA LEU 51 HA LEU 51 9.526 0.868 3.342 369 HB2 LEU 51 2HB LEU 51 7.880 1.346 0.862 370 HB3 LEU 51 3HB LEU 51 9.393 2.160 1.254 371 HG LEU 51 HG LEU 51 9.400 -0.811 1.082 372 HD11 LEU 51 1HD1 LEU 51 8.597 -0.831 -0.991 373 HD12 LEU 51 2HD1 LEU 51 10.057 0.034 -1.470 374 HD13 LEU 51 3HD1 LEU 51 8.588 0.930 -1.084 375 HD21 LEU 51 3HD2 LEU 51 11.440 0.960 -0.137 376 HD22 LEU 51 1HD2 LEU 51 11.632 -0.553 0.749 377 HD23 LEU 51 2HD2 LEU 51 11.323 0.947 1.624 378 HA PRO 52 HA PRO 52 6.518 3.602 5.407 379 HB2 PRO 52 2HB PRO 52 8.270 4.427 7.309 380 HB3 PRO 52 3HB PRO 52 7.362 2.916 7.430 381 HG2 PRO 52 2HG PRO 52 10.189 3.362 6.551 382 HG3 PRO 52 3HG PRO 52 9.533 2.100 7.610 383 HD2 PRO 52 2HD PRO 52 10.104 1.660 5.000 384 HD3 PRO 52 3HD PRO 52 8.777 0.831 5.841 385 H ASP 53 H ASP 53 6.360 5.856 5.477 386 HA ASP 53 HA ASP 53 6.727 8.003 4.823 387 HB2 ASP 53 2HB ASP 53 9.668 7.319 4.756 388 HB3 ASP 53 3HB ASP 53 8.937 8.905 4.988 389 H VAL 54 H VAL 54 6.063 6.186 2.840 390 HA VAL 54 HA VAL 54 7.528 7.286 0.532 391 HB VAL 54 HB VAL 54 6.427 4.483 0.781 392 HG11 VAL 54 1HG1 VAL 54 7.741 5.916 -1.520 393 HG12 VAL 54 2HG1 VAL 54 7.525 4.166 -1.445 394 HG13 VAL 54 3HG1 VAL 54 6.118 5.229 -1.466 395 HG21 VAL 54 3HG2 VAL 54 8.443 4.540 1.988 396 HG22 VAL 54 1HG2 VAL 54 8.883 3.916 0.398 397 HG23 VAL 54 2HG2 VAL 54 9.218 5.598 0.809 398 H GLN 55 H GLN 55 6.318 7.962 -1.188 399 HA GLN 55 HA GLN 55 3.409 7.577 -1.041 400 HB2 GLN 55 2HB GLN 55 4.755 10.195 -1.724 401 HB3 GLN 55 3HB GLN 55 3.024 9.899 -1.621 402 HG2 GLN 55 2HG GLN 55 3.378 10.876 0.399 403 HG3 GLN 55 3HG GLN 55 3.626 9.186 0.835 404 HE21 GLN 55 1HE2 GLN 55 5.471 11.939 -0.437 405 HE22 GLN 55 2HE2 GLN 55 6.875 11.664 0.532 406 H THR 56 H THR 56 6.162 8.561 -3.043 407 HA THR 56 HA THR 56 4.833 8.496 -5.521 408 HB THR 56 HB THR 56 7.069 8.334 -6.537 409 HG1 THR 56 HG1 THR 56 8.543 7.329 -5.409 410 HG21 THR 56 3HG2 THR 56 7.928 10.416 -5.741 411 HG22 THR 56 1HG2 THR 56 7.136 10.215 -4.179 412 HG23 THR 56 2HG2 THR 56 6.170 10.498 -5.628 413 H ALA 57 H ALA 57 3.661 6.716 -6.011 414 HA ALA 57 HA ALA 57 5.062 4.122 -5.979 415 HB1 ALA 57 1HB ALA 57 3.323 3.256 -4.913 416 HB2 ALA 57 2HB ALA 57 2.569 4.851 -4.864 417 HB3 ALA 57 3HB ALA 57 2.247 3.765 -6.216 418 HA PRO 58 HA PRO 58 4.601 3.724 -10.325 419 HB2 PRO 58 2HB PRO 58 4.002 1.092 -10.610 420 HB3 PRO 58 3HB PRO 58 5.608 1.667 -10.148 421 HG2 PRO 58 2HG PRO 58 3.411 0.594 -8.421 422 HG3 PRO 58 3HG PRO 58 5.150 0.257 -8.355 423 HD2 PRO 58 2HD PRO 58 3.937 1.994 -6.669 424 HD3 PRO 58 3HD PRO 58 5.612 2.208 -7.218 425 H VAL 59 H VAL 59 3.052 2.418 -11.974 426 HA VAL 59 HA VAL 59 0.408 3.517 -11.481 427 HB VAL 59 HB VAL 59 -0.058 2.957 -13.822 428 HG11 VAL 59 1HG1 VAL 59 2.616 4.195 -14.037 429 HG12 VAL 59 2HG1 VAL 59 1.052 4.757 -14.629 430 HG13 VAL 59 3HG1 VAL 59 1.479 4.964 -12.930 431 HG21 VAL 59 3HG2 VAL 59 2.491 2.277 -14.806 432 HG22 VAL 59 1HG2 VAL 59 2.162 1.189 -13.457 433 HG23 VAL 59 2HG2 VAL 59 1.031 1.289 -14.806 434 H ALA 60 H ALA 60 -1.485 2.153 -12.315 435 HA ALA 60 HA ALA 60 -1.786 -0.092 -10.669 436 HB1 ALA 60 1HB ALA 60 -3.932 -0.248 -11.484 437 HB2 ALA 60 2HB ALA 60 -3.552 1.439 -11.833 438 HB3 ALA 60 3HB ALA 60 -3.464 0.231 -13.116 439 H GLU 61 H GLU 61 -2.711 -2.227 -11.776 440 HA GLU 61 HA GLU 61 -1.391 -3.107 -14.141 441 HB2 GLU 61 2HB GLU 61 0.466 -3.064 -12.401 442 HB3 GLU 61 3HB GLU 61 -0.391 -4.368 -11.592 443 HG2 GLU 61 2HG GLU 61 0.419 -4.562 -14.470 444 HG3 GLU 61 3HG GLU 61 1.517 -4.990 -13.160 445 H THR 62 H THR 62 -2.673 -4.588 -15.009 446 HA THR 62 HA THR 62 -3.851 -6.697 -13.445 447 HB THR 62 HB THR 62 -6.184 -5.995 -14.536 448 HG1 THR 62 HG1 THR 62 -6.416 -3.853 -14.757 449 HG21 THR 62 3HG2 THR 62 -6.901 -5.481 -12.402 450 HG22 THR 62 1HG2 THR 62 -5.442 -4.568 -12.017 451 HG23 THR 62 2HG2 THR 62 -5.394 -6.330 -12.062 452 H VAL 63 H VAL 63 -3.402 -8.381 -14.700 453 HA VAL 63 HA VAL 63 -4.285 -8.344 -17.484 454 HB VAL 63 HB VAL 63 -1.494 -9.172 -16.676 455 HG11 VAL 63 1HG1 VAL 63 -1.829 -10.595 -18.406 456 HG12 VAL 63 2HG1 VAL 63 -3.124 -9.619 -19.102 457 HG13 VAL 63 3HG1 VAL 63 -1.440 -9.159 -19.352 458 HG21 VAL 63 3HG2 VAL 63 -1.776 -6.742 -16.765 459 HG22 VAL 63 1HG2 VAL 63 -0.751 -7.318 -18.080 460 HG23 VAL 63 2HG2 VAL 63 -2.428 -6.876 -18.398 461 H ASN 64 H ASN 64 -5.524 -10.064 -17.780 462 HA ASN 64 HA ASN 64 -5.848 -12.147 -15.964 463 HB2 ASN 64 2HB ASN 64 -6.415 -12.318 -18.928 464 HB3 ASN 64 3HB ASN 64 -7.199 -13.225 -17.638 465 HD21 ASN 64 1HD2 ASN 64 -8.689 -12.187 -16.304 466 HD22 ASN 64 2HD2 ASN 64 -9.424 -10.688 -16.751 467 H LEU 65 H LEU 65 -5.638 -14.550 -16.761 468 HA LEU 65 HA LEU 65 -2.798 -14.943 -17.364 469 HB2 LEU 65 2HB LEU 65 -4.120 -15.920 -15.317 470 HB3 LEU 65 3HB LEU 65 -4.607 -17.145 -16.487 471 HG LEU 65 HG LEU 65 -2.718 -17.909 -15.165 472 HD11 LEU 65 1HD1 LEU 65 -1.654 -17.293 -17.900 473 HD12 LEU 65 2HD1 LEU 65 -2.984 -18.424 -17.655 474 HD13 LEU 65 3HD1 LEU 65 -1.413 -18.736 -16.916 475 HD21 LEU 65 3HD2 LEU 65 -0.581 -16.375 -16.146 476 HD22 LEU 65 1HD2 LEU 65 -1.178 -16.463 -14.489 477 HD23 LEU 65 2HD2 LEU 65 -1.798 -15.227 -15.585 478 H TRP 66 H TRP 66 -2.738 -14.832 -19.585 479 HA TRP 66 HA TRP 66 -2.962 -15.504 -21.748 480 HB2 TRP 66 2HB TRP 66 -3.270 -18.074 -20.224 481 HB3 TRP 66 3HB TRP 66 -3.406 -18.055 -21.980 482 HD1 TRP 66 HD1 TRP 66 -0.940 -18.869 -19.563 483 HE1 TRP 66 HE1 TRP 66 1.458 -18.490 -20.416 484 HE3 TRP 66 HE3 TRP 66 -1.970 -15.883 -23.583 485 HZ2 TRP 66 HZ2 TRP 66 2.744 -17.108 -22.514 486 HZ3 TRP 66 HZ3 TRP 66 -0.099 -15.074 -24.961 487 HH2 TRP 66 HH2 TRP 66 2.208 -15.674 -24.436 488 H GLU 67 H GLU 67 -5.238 -14.292 -20.683 489 HA GLU 67 HA GLU 67 -7.415 -15.804 -21.972 490 HB2 GLU 67 2HB GLU 67 -7.484 -15.170 -19.430 491 HB3 GLU 67 3HB GLU 67 -7.922 -13.578 -20.033 492 HG2 GLU 67 2HG GLU 67 -9.855 -14.489 -21.154 493 HG3 GLU 67 3HG GLU 67 -9.393 -16.122 -20.677 494 H VAL 68 H VAL 68 -5.534 -14.122 -23.358 495 HA VAL 68 HA VAL 68 -7.105 -11.746 -24.040 496 HB VAL 68 HB VAL 68 -4.669 -11.490 -23.611 497 HG11 VAL 68 1HG1 VAL 68 -3.026 -12.402 -25.005 498 HG12 VAL 68 2HG1 VAL 68 -4.142 -13.739 -24.718 499 HG13 VAL 68 3HG1 VAL 68 -4.198 -12.854 -26.242 500 HG21 VAL 68 3HG2 VAL 68 -4.861 -10.791 -26.458 501 HG22 VAL 68 1HG2 VAL 68 -6.213 -10.250 -25.463 502 HG23 VAL 68 2HG2 VAL 68 -4.567 -9.766 -25.054 503 H GLU 69 H GLU 69 -6.188 -14.854 -25.261 504 HA GLU 69 HA GLU 69 -6.633 -14.400 -28.012 505 HB2 GLU 69 2HB GLU 69 -5.420 -16.357 -27.239 506 HB3 GLU 69 3HB GLU 69 -6.843 -16.938 -26.385 507 HG2 GLU 69 2HG GLU 69 -6.562 -18.174 -28.425 508 HG3 GLU 69 3HG GLU 69 -8.011 -17.176 -28.534 509 H HIS 70 H HIS 70 -8.524 -13.298 -28.392 510 HA HIS 70 HA HIS 70 -11.011 -14.730 -27.717 511 HB2 HIS 70 2HB HIS 70 -10.549 -12.392 -26.680 512 HB3 HIS 70 3HB HIS 70 -10.923 -11.782 -28.289 513 HD1 HIS 70 HD1 HIS 70 -13.154 -10.723 -27.888 514 HD2 HIS 70 HD2 HIS 70 -12.957 -14.610 -26.433 515 HE1 HIS 70 HE1 HIS 70 -15.499 -11.297 -27.181 516 H HIS 71 H HIS 71 -9.677 -12.402 -30.068 517 HA HIS 71 HA HIS 71 -11.613 -12.985 -32.061 518 HB2 HIS 71 2HB HIS 71 -10.260 -10.865 -31.895 519 HB3 HIS 71 3HB HIS 71 -8.876 -11.777 -32.489 520 HD1 HIS 71 HD1 HIS 71 -12.469 -11.243 -33.655 521 HD2 HIS 71 HD2 HIS 71 -8.598 -11.455 -35.148 522 HE1 HIS 71 HE1 HIS 71 -12.680 -10.841 -36.128 Start of MODEL 9 1 H1 MET 1 H MET 1 1.475 -1.163 -0.481 2 HA MET 1 HA MET 1 0.580 -3.276 -2.325 3 HB2 MET 1 2HB MET 1 1.034 -1.196 -3.567 4 HB3 MET 1 3HB MET 1 2.661 -1.159 -2.901 5 HG2 MET 1 2HG MET 1 3.030 -2.069 -4.969 6 HG3 MET 1 3HG MET 1 2.868 -3.514 -3.973 7 HE1 MET 1 3HE MET 1 1.345 -5.307 -6.548 8 HE2 MET 1 1HE MET 1 2.356 -5.167 -5.108 9 HE3 MET 1 2HE MET 1 0.638 -5.533 -4.947 10 H LYS 2 H LYS 2 1.235 -4.751 -0.648 11 HA LYS 2 HA LYS 2 4.161 -5.032 -0.427 12 HB2 LYS 2 2HB LYS 2 3.804 -6.160 1.705 13 HB3 LYS 2 3HB LYS 2 3.075 -4.559 1.728 14 HG2 LYS 2 2HG LYS 2 0.928 -5.888 0.994 15 HG3 LYS 2 3HG LYS 2 1.784 -7.235 1.748 16 HD2 LYS 2 2HD LYS 2 2.054 -5.819 3.789 17 HD3 LYS 2 3HD LYS 2 1.016 -4.612 3.025 18 HE2 LYS 2 2HE LYS 2 -0.792 -6.247 2.891 19 HE3 LYS 2 3HE LYS 2 0.246 -7.467 3.627 20 HZ1 LYS 2 3HZ LYS 2 0.413 -5.955 5.584 21 HZ2 LYS 2 1HZ LYS 2 -1.134 -6.584 5.318 22 HZ3 LYS 2 2HZ LYS 2 -0.785 -4.988 4.884 23 H THR 3 H THR 3 5.068 -7.085 -0.650 24 HA THR 3 HA THR 3 3.291 -9.253 -1.506 25 HB THR 3 HB THR 3 4.014 -8.206 -3.579 26 HG1 THR 3 HG1 THR 3 4.194 -10.173 -4.317 27 HG21 THR 3 3HG2 THR 3 6.335 -7.609 -2.236 28 HG22 THR 3 1HG2 THR 3 6.083 -7.430 -3.972 29 HG23 THR 3 2HG2 THR 3 6.846 -8.888 -3.337 30 H PHE 4 H PHE 4 4.415 -11.364 -1.601 31 HA PHE 4 HA PHE 4 6.033 -11.716 0.738 32 HB2 PHE 4 2HB PHE 4 5.417 -13.810 -1.346 33 HB3 PHE 4 3HB PHE 4 5.809 -14.058 0.352 34 HD1 PHE 4 HD1 PHE 4 4.099 -12.400 1.849 35 HD2 PHE 4 HD2 PHE 4 3.262 -14.422 -1.802 36 HE1 PHE 4 HE1 PHE 4 1.701 -12.401 2.403 37 HE2 PHE 4 HE2 PHE 4 0.863 -14.425 -1.254 38 HZ PHE 4 HZ PHE 4 0.080 -13.413 0.850 39 H ALA 5 H ALA 5 8.180 -11.930 0.892 40 HA ALA 5 HA ALA 5 9.772 -11.580 -1.516 41 HB1 ALA 5 1HB ALA 5 10.664 -11.684 1.363 42 HB2 ALA 5 2HB ALA 5 11.625 -11.161 -0.020 43 HB3 ALA 5 3HB ALA 5 10.225 -10.217 0.488 44 H LEU 6 H LEU 6 10.320 -13.337 -2.627 45 HA LEU 6 HA LEU 6 10.885 -15.824 -1.163 46 HB2 LEU 6 2HB LEU 6 10.514 -15.670 -4.126 47 HB3 LEU 6 3HB LEU 6 10.260 -17.036 -3.042 48 HG LEU 6 HG LEU 6 8.488 -14.597 -3.151 49 HD11 LEU 6 1HD1 LEU 6 8.493 -15.956 -5.251 50 HD12 LEU 6 2HD1 LEU 6 6.938 -15.883 -4.422 51 HD13 LEU 6 3HD1 LEU 6 7.939 -17.329 -4.292 52 HD21 LEU 6 3HD2 LEU 6 8.624 -15.964 -1.018 53 HD22 LEU 6 1HD2 LEU 6 7.911 -17.288 -1.940 54 HD23 LEU 6 2HD2 LEU 6 7.022 -15.778 -1.734 55 H GLN 7 H GLN 7 12.416 -17.238 -2.789 56 HA GLN 7 HA GLN 7 14.987 -16.322 -2.405 57 HB2 GLN 7 2HB GLN 7 14.292 -18.670 -2.970 58 HB3 GLN 7 3HB GLN 7 14.141 -18.160 -4.646 59 HG2 GLN 7 2HG GLN 7 16.411 -17.924 -4.924 60 HG3 GLN 7 3HG GLN 7 16.706 -17.702 -3.200 61 HE21 GLN 7 1HE2 GLN 7 16.313 -19.618 -1.826 62 HE22 GLN 7 2HE2 GLN 7 16.733 -21.170 -2.460 63 H GLY 8 H GLY 8 16.162 -14.763 -3.298 64 HA2 GLY 8 2HA GLY 8 16.975 -13.259 -4.834 65 HA3 GLY 8 3HA GLY 8 16.245 -14.253 -6.086 66 H ASP 9 H ASP 9 14.163 -13.117 -3.604 67 HA ASP 9 HA ASP 9 13.196 -10.966 -5.370 68 HB2 ASP 9 2HB ASP 9 11.668 -13.152 -3.999 69 HB3 ASP 9 3HB ASP 9 10.890 -11.602 -4.307 70 H THR 10 H THR 10 14.957 -11.005 -2.955 71 HA THR 10 HA THR 10 13.473 -9.919 -0.777 72 HB THR 10 HB THR 10 15.535 -9.552 0.307 73 HG1 THR 10 HG1 THR 10 17.353 -9.038 -0.729 74 HG21 THR 10 3HG2 THR 10 16.166 -11.843 -1.545 75 HG22 THR 10 1HG2 THR 10 14.966 -11.956 -0.258 76 HG23 THR 10 2HG2 THR 10 16.655 -11.637 0.137 77 H LEU 11 H LEU 11 14.429 -7.693 0.118 78 HA LEU 11 HA LEU 11 13.278 -5.649 -1.314 79 HB2 LEU 11 2HB LEU 11 15.635 -5.394 0.547 80 HB3 LEU 11 3HB LEU 11 14.515 -4.108 0.100 81 HG LEU 11 HG LEU 11 13.549 -6.574 1.508 82 HD11 LEU 11 1HD1 LEU 11 13.726 -5.032 3.582 83 HD12 LEU 11 2HD1 LEU 11 14.991 -4.221 2.658 84 HD13 LEU 11 3HD1 LEU 11 15.146 -5.934 3.051 85 HD21 LEU 11 3HD2 LEU 11 11.723 -5.370 0.793 86 HD22 LEU 11 1HD2 LEU 11 12.542 -3.817 0.968 87 HD23 LEU 11 2HD2 LEU 11 11.981 -4.684 2.398 88 H ASP 12 H ASP 12 16.663 -6.692 -1.357 89 HA ASP 12 HA ASP 12 17.739 -4.698 -2.954 90 HB2 ASP 12 2HB ASP 12 18.423 -7.616 -2.654 91 HB3 ASP 12 3HB ASP 12 19.348 -6.554 -3.711 92 H ALA 13 H ALA 13 15.845 -7.511 -3.848 93 HA ALA 13 HA ALA 13 16.236 -7.042 -6.687 94 HB1 ALA 13 1HB ALA 13 14.181 -8.963 -5.800 95 HB2 ALA 13 2HB ALA 13 15.443 -9.129 -7.020 96 HB3 ALA 13 3HB ALA 13 15.839 -9.315 -5.312 97 H ILE 14 H ILE 14 13.437 -7.181 -4.476 98 HA ILE 14 HA ILE 14 11.475 -6.310 -6.200 99 HB ILE 14 HB ILE 14 11.730 -5.644 -3.265 100 HG12 ILE 14 2HG1 ILE 14 10.137 -7.857 -4.564 101 HG13 ILE 14 3HG1 ILE 14 11.767 -8.088 -3.941 102 HG21 ILE 14 1HG2 ILE 14 10.122 -4.191 -4.361 103 HG22 ILE 14 2HG2 ILE 14 9.319 -5.589 -5.075 104 HG23 ILE 14 3HG2 ILE 14 9.293 -5.354 -3.327 105 HD11 ILE 14 3HD1 ILE 14 9.978 -6.846 -2.015 106 HD12 ILE 14 1HD1 ILE 14 9.442 -8.441 -2.542 107 HD13 ILE 14 2HD1 ILE 14 11.049 -8.236 -1.842 108 H CYS 15 H CYS 15 13.646 -4.330 -4.206 109 HA CYS 15 HA CYS 15 12.585 -1.829 -4.869 110 HB2 CYS 15 2HB CYS 15 15.344 -2.695 -4.019 111 HB3 CYS 15 3HB CYS 15 14.944 -1.006 -4.306 112 HG CYS 15 HG CYS 15 12.676 -2.278 -2.316 113 H VAL 16 H VAL 16 14.712 -3.956 -6.617 114 HA VAL 16 HA VAL 16 15.451 -1.926 -8.553 115 HB VAL 16 HB VAL 16 16.028 -4.890 -8.473 116 HG11 VAL 16 1HG1 VAL 16 17.851 -3.978 -10.176 117 HG12 VAL 16 2HG1 VAL 16 16.261 -4.528 -10.709 118 HG13 VAL 16 3HG1 VAL 16 16.578 -2.804 -10.509 119 HG21 VAL 16 3HG2 VAL 16 17.080 -3.378 -6.731 120 HG22 VAL 16 1HG2 VAL 16 18.193 -4.324 -7.719 121 HG23 VAL 16 2HG2 VAL 16 17.948 -2.611 -8.060 122 H ARG 17 H ARG 17 13.138 -4.502 -8.206 123 HA ARG 17 HA ARG 17 12.410 -4.476 -11.012 124 HB2 ARG 17 2HB ARG 17 11.194 -6.368 -10.590 125 HB3 ARG 17 3HB ARG 17 12.337 -6.463 -9.258 126 HG2 ARG 17 2HG ARG 17 10.669 -5.403 -7.786 127 HG3 ARG 17 3HG ARG 17 9.521 -5.407 -9.127 128 HD2 ARG 17 2HD ARG 17 9.306 -7.308 -7.478 129 HD3 ARG 17 3HD ARG 17 9.440 -7.768 -9.175 130 HE ARG 17 HE ARG 17 11.947 -7.719 -7.752 131 HH11 ARG 17 1HH1 ARG 17 9.174 -9.622 -8.651 132 HH12 ARG 17 2HH1 ARG 17 9.989 -11.139 -8.459 133 HH21 ARG 17 1HH2 ARG 17 13.031 -9.709 -7.496 134 HH22 ARG 17 2HH2 ARG 17 12.183 -11.187 -7.801 135 H TYR 18 H TYR 18 11.655 -2.688 -8.259 136 HA TYR 18 HA TYR 18 9.050 -1.874 -9.357 137 HB2 TYR 18 2HB TYR 18 10.139 -2.073 -6.609 138 HB3 TYR 18 3HB TYR 18 9.094 -0.694 -6.930 139 HD1 TYR 18 HD1 TYR 18 9.266 -4.344 -6.673 140 HD2 TYR 18 HD2 TYR 18 6.736 -1.005 -7.417 141 HE1 TYR 18 HE1 TYR 18 7.292 -5.781 -6.376 142 HE2 TYR 18 HE2 TYR 18 4.755 -2.432 -7.121 143 HH TYR 18 HH TYR 18 4.995 -5.685 -5.928 144 H TYR 19 H TYR 19 11.744 -0.382 -7.551 145 HA TYR 19 HA TYR 19 11.216 2.150 -8.898 146 HB2 TYR 19 2HB TYR 19 13.374 1.722 -6.854 147 HB3 TYR 19 3HB TYR 19 12.472 3.188 -7.218 148 HD1 TYR 19 HD1 TYR 19 10.135 3.430 -6.424 149 HD2 TYR 19 HD2 TYR 19 12.555 0.121 -5.284 150 HE1 TYR 19 HE1 TYR 19 8.584 2.939 -4.579 151 HE2 TYR 19 HE2 TYR 19 11.010 -0.379 -3.437 152 HH TYR 19 HH TYR 19 9.050 0.114 -2.490 153 H GLY 20 H GLY 20 13.677 -0.348 -8.677 154 HA2 GLY 20 2HA GLY 20 15.160 -0.867 -10.445 155 HA3 GLY 20 3HA GLY 20 14.934 0.757 -11.079 156 H ARG 21 H ARG 21 15.463 0.638 -7.721 157 HA ARG 21 HA ARG 21 18.356 0.956 -7.998 158 HB2 ARG 21 2HB ARG 21 16.754 2.979 -6.446 159 HB3 ARG 21 3HB ARG 21 18.441 3.065 -6.936 160 HG2 ARG 21 2HG ARG 21 17.598 4.446 -8.503 161 HG3 ARG 21 3HG ARG 21 17.302 2.926 -9.350 162 HD2 ARG 21 2HD ARG 21 15.023 2.882 -8.584 163 HD3 ARG 21 3HD ARG 21 15.298 4.292 -7.561 164 HE ARG 21 HE ARG 21 15.803 4.740 -10.363 165 HH11 ARG 21 1HH1 ARG 21 13.429 4.779 -7.817 166 HH12 ARG 21 2HH1 ARG 21 12.390 5.905 -8.626 167 HH21 ARG 21 1HH2 ARG 21 14.444 6.223 -11.438 168 HH22 ARG 21 2HH2 ARG 21 12.967 6.725 -10.685 169 H THR 22 H THR 22 19.437 1.073 -5.836 170 HA THR 22 HA THR 22 17.905 -0.374 -3.778 171 HB THR 22 HB THR 22 20.338 -1.362 -3.288 172 HG1 THR 22 HG1 THR 22 21.532 -1.601 -5.104 173 HG21 THR 22 3HG2 THR 22 19.174 -2.893 -5.458 174 HG22 THR 22 1HG2 THR 22 17.947 -2.327 -4.326 175 HG23 THR 22 2HG2 THR 22 19.305 -3.291 -3.745 176 H GLU 23 H GLU 23 20.623 1.747 -4.521 177 HA GLU 23 HA GLU 23 21.357 2.271 -1.833 178 HB2 GLU 23 2HB GLU 23 22.474 4.315 -2.868 179 HB3 GLU 23 3HB GLU 23 22.994 2.744 -3.461 180 HG2 GLU 23 2HG GLU 23 21.775 2.994 -5.471 181 HG3 GLU 23 3HG GLU 23 20.912 4.401 -4.852 182 H GLY 24 H GLY 24 20.048 3.181 -0.391 183 HA2 GLY 24 2HA GLY 24 18.976 5.067 0.536 184 HA3 GLY 24 3HA GLY 24 18.737 5.700 -1.086 185 H VAL 25 H VAL 25 17.621 3.245 -2.148 186 HA VAL 25 HA VAL 25 14.895 3.683 -1.413 187 HB VAL 25 HB VAL 25 15.965 1.415 -3.090 188 HG11 VAL 25 1HG1 VAL 25 13.353 2.208 -2.272 189 HG12 VAL 25 2HG1 VAL 25 13.497 2.434 -4.016 190 HG13 VAL 25 3HG1 VAL 25 13.828 0.857 -3.300 191 HG21 VAL 25 3HG2 VAL 25 15.450 4.287 -3.794 192 HG22 VAL 25 1HG2 VAL 25 16.873 3.302 -4.133 193 HG23 VAL 25 2HG2 VAL 25 15.369 3.009 -5.007 194 H VAL 26 H VAL 26 16.979 0.790 -1.231 195 HA VAL 26 HA VAL 26 15.269 -0.877 0.147 196 HB VAL 26 HB VAL 26 17.264 -2.057 0.980 197 HG11 VAL 26 1HG1 VAL 26 16.631 -2.661 -1.200 198 HG12 VAL 26 2HG1 VAL 26 17.235 -1.150 -1.884 199 HG13 VAL 26 3HG1 VAL 26 18.367 -2.367 -1.295 200 HG21 VAL 26 3HG2 VAL 26 18.516 0.532 0.383 201 HG22 VAL 26 1HG2 VAL 26 18.970 -0.710 1.551 202 HG23 VAL 26 2HG2 VAL 26 19.438 -0.877 -0.141 203 H GLU 27 H GLU 27 17.269 1.731 1.371 204 HA GLU 27 HA GLU 27 17.085 1.120 4.115 205 HB2 GLU 27 2HB GLU 27 17.742 3.555 2.524 206 HB3 GLU 27 3HB GLU 27 17.386 3.756 4.233 207 HG2 GLU 27 2HG GLU 27 19.521 1.983 3.067 208 HG3 GLU 27 3HG GLU 27 19.773 3.543 3.848 209 H THR 28 H THR 28 14.988 2.911 1.935 210 HA THR 28 HA THR 28 13.317 4.153 3.782 211 HB THR 28 HB THR 28 12.323 2.991 1.183 212 HG1 THR 28 HG1 THR 28 13.051 5.206 0.434 213 HG21 THR 28 3HG2 THR 28 11.611 5.696 2.178 214 HG22 THR 28 1HG2 THR 28 10.927 4.313 3.030 215 HG23 THR 28 2HG2 THR 28 10.632 4.518 1.303 216 H VAL 29 H VAL 29 12.679 1.082 2.072 217 HA VAL 29 HA VAL 29 10.398 0.331 3.433 218 HB VAL 29 HB VAL 29 12.564 -1.525 2.434 219 HG11 VAL 29 1HG1 VAL 29 10.332 -2.913 2.068 220 HG12 VAL 29 2HG1 VAL 29 11.227 -2.966 3.588 221 HG13 VAL 29 3HG1 VAL 29 9.801 -1.938 3.438 222 HG21 VAL 29 3HG2 VAL 29 12.033 -0.827 0.392 223 HG22 VAL 29 1HG2 VAL 29 10.395 -1.429 0.651 224 HG23 VAL 29 2HG2 VAL 29 10.791 0.245 1.038 225 H LEU 30 H LEU 30 13.780 -0.300 4.294 226 HA LEU 30 HA LEU 30 13.431 -1.968 6.463 227 HB2 LEU 30 2HB LEU 30 15.463 0.176 5.920 228 HB3 LEU 30 3HB LEU 30 15.543 -0.846 7.354 229 HG LEU 30 HG LEU 30 15.708 -1.781 4.489 230 HD11 LEU 30 1HD1 LEU 30 17.679 -0.854 6.393 231 HD12 LEU 30 2HD1 LEU 30 17.851 -1.223 4.677 232 HD13 LEU 30 3HD1 LEU 30 17.994 -2.510 5.874 233 HD21 LEU 30 3HD2 LEU 30 16.276 -3.965 5.519 234 HD22 LEU 30 1HD2 LEU 30 14.615 -3.456 5.824 235 HD23 LEU 30 2HD2 LEU 30 15.832 -3.300 7.092 236 H ALA 31 H ALA 31 13.530 1.591 6.477 237 HA ALA 31 HA ALA 31 13.142 1.991 9.201 238 HB1 ALA 31 1HB ALA 31 13.576 4.009 8.336 239 HB2 ALA 31 2HB ALA 31 12.877 3.594 6.770 240 HB3 ALA 31 3HB ALA 31 11.832 4.116 8.092 241 H ALA 32 H ALA 32 10.800 1.374 6.644 242 HA ALA 32 HA ALA 32 8.514 1.824 8.320 243 HB1 ALA 32 1HB ALA 32 7.627 0.325 6.184 244 HB2 ALA 32 2HB ALA 32 7.682 2.086 6.267 245 HB3 ALA 32 3HB ALA 32 9.012 1.196 5.526 246 H ASN 33 H ASN 33 10.580 -0.856 7.588 247 HA ASN 33 HA ASN 33 9.035 -2.519 9.430 248 HB2 ASN 33 2HB ASN 33 9.669 -3.175 6.576 249 HB3 ASN 33 3HB ASN 33 9.602 -4.471 7.766 250 HD21 ASN 33 1HD2 ASN 33 7.780 -1.886 6.256 251 HD22 ASN 33 2HD2 ASN 33 6.216 -2.544 6.580 252 HA PRO 34 HA PRO 34 13.605 -2.563 10.238 253 HB2 PRO 34 2HB PRO 34 13.369 -2.177 12.915 254 HB3 PRO 34 3HB PRO 34 13.424 -0.845 11.753 255 HG2 PRO 34 2HG PRO 34 11.055 -2.098 13.088 256 HG3 PRO 34 3HG PRO 34 11.402 -0.382 12.805 257 HD2 PRO 34 2HD PRO 34 9.706 -1.802 11.244 258 HD3 PRO 34 3HD PRO 34 10.698 -0.471 10.613 259 H GLY 35 H GLY 35 14.828 -4.168 11.315 260 HA2 GLY 35 2HA GLY 35 15.176 -6.140 12.514 261 HA3 GLY 35 3HA GLY 35 13.447 -6.231 12.819 262 H LEU 36 H LEU 36 13.489 -5.684 9.663 263 HA LEU 36 HA LEU 36 13.099 -8.473 9.021 264 HB2 LEU 36 2HB LEU 36 11.880 -6.241 8.175 265 HB3 LEU 36 3HB LEU 36 13.070 -6.424 6.888 266 HG LEU 36 HG LEU 36 10.908 -7.402 6.288 267 HD11 LEU 36 1HD1 LEU 36 13.190 -8.360 5.591 268 HD12 LEU 36 2HD1 LEU 36 11.752 -9.348 5.335 269 HD13 LEU 36 3HD1 LEU 36 12.814 -9.676 6.704 270 HD21 LEU 36 3HD2 LEU 36 10.278 -8.014 8.632 271 HD22 LEU 36 1HD2 LEU 36 11.384 -9.382 8.509 272 HD23 LEU 36 2HD2 LEU 36 9.987 -9.278 7.437 273 H ALA 37 H ALA 37 15.431 -5.942 8.322 274 HA ALA 37 HA ALA 37 16.859 -7.385 6.325 275 HB1 ALA 37 1HB ALA 37 18.628 -5.560 7.480 276 HB2 ALA 37 2HB ALA 37 17.644 -5.328 6.034 277 HB3 ALA 37 3HB ALA 37 17.035 -4.813 7.607 278 H GLU 38 H GLU 38 16.802 -7.487 9.760 279 HA GLU 38 HA GLU 38 19.421 -8.438 10.240 280 HB2 GLU 38 2HB GLU 38 16.845 -8.536 11.774 281 HB3 GLU 38 3HB GLU 38 18.250 -9.422 12.348 282 HG2 GLU 38 2HG GLU 38 19.496 -7.195 12.153 283 HG3 GLU 38 3HG GLU 38 17.895 -6.466 12.045 284 H LEU 39 H LEU 39 16.640 -9.910 8.899 285 HA LEU 39 HA LEU 39 16.876 -12.566 9.610 286 HB2 LEU 39 2HB LEU 39 15.165 -11.358 8.092 287 HB3 LEU 39 3HB LEU 39 16.276 -11.770 6.787 288 HG LEU 39 HG LEU 39 14.409 -13.353 6.968 289 HD11 LEU 39 1HD1 LEU 39 16.979 -14.688 7.779 290 HD12 LEU 39 2HD1 LEU 39 16.703 -14.014 6.173 291 HD13 LEU 39 3HD1 LEU 39 15.691 -15.333 6.761 292 HD21 LEU 39 3HD2 LEU 39 14.258 -13.089 9.497 293 HD22 LEU 39 1HD2 LEU 39 15.579 -14.255 9.583 294 HD23 LEU 39 2HD2 LEU 39 14.045 -14.715 8.845 295 H GLY 40 H GLY 40 18.411 -10.952 6.823 296 HA2 GLY 40 2HA GLY 40 20.922 -11.806 6.900 297 HA3 GLY 40 3HA GLY 40 20.113 -13.285 6.405 298 H ALA 41 H ALA 41 21.145 -13.350 4.407 299 HA ALA 41 HA ALA 41 21.036 -11.129 2.591 300 HB1 ALA 41 1HB ALA 41 21.968 -12.767 0.956 301 HB2 ALA 41 2HB ALA 41 22.910 -12.604 2.438 302 HB3 ALA 41 3HB ALA 41 21.860 -14.002 2.211 303 H VAL 42 H VAL 42 19.620 -14.407 2.482 304 HA VAL 42 HA VAL 42 17.568 -13.382 0.645 305 HB VAL 42 HB VAL 42 18.183 -16.272 1.259 306 HG11 VAL 42 1HG1 VAL 42 16.772 -16.831 -0.488 307 HG12 VAL 42 2HG1 VAL 42 15.931 -15.464 0.246 308 HG13 VAL 42 3HG1 VAL 42 16.879 -15.232 -1.223 309 HG21 VAL 42 3HG2 VAL 42 19.166 -14.605 -1.057 310 HG22 VAL 42 1HG2 VAL 42 20.150 -15.159 0.298 311 HG23 VAL 42 2HG2 VAL 42 19.447 -16.330 -0.818 312 H LEU 43 H LEU 43 15.659 -12.905 1.489 313 HA LEU 43 HA LEU 43 14.914 -13.641 4.134 314 HB2 LEU 43 2HB LEU 43 13.087 -12.564 2.002 315 HB3 LEU 43 3HB LEU 43 12.912 -12.423 3.750 316 HG LEU 43 HG LEU 43 15.285 -11.180 2.441 317 HD11 LEU 43 1HD1 LEU 43 14.142 -9.271 1.744 318 HD12 LEU 43 2HD1 LEU 43 12.673 -9.718 2.611 319 HD13 LEU 43 3HD1 LEU 43 13.142 -10.601 1.159 320 HD21 LEU 43 3HD2 LEU 43 13.798 -11.005 4.967 321 HD22 LEU 43 1HD2 LEU 43 14.313 -9.457 4.297 322 HD23 LEU 43 2HD2 LEU 43 15.505 -10.715 4.627 323 HA PRO 44 HA PRO 44 12.850 -17.467 3.513 324 HB2 PRO 44 2HB PRO 44 10.908 -17.313 5.404 325 HB3 PRO 44 3HB PRO 44 12.612 -17.566 5.796 326 HG2 PRO 44 2HG PRO 44 11.007 -15.040 5.870 327 HG3 PRO 44 3HG PRO 44 12.190 -15.649 7.043 328 HD2 PRO 44 2HD PRO 44 12.795 -13.741 5.219 329 HD3 PRO 44 3HD PRO 44 13.987 -14.923 5.795 330 H HIS 45 H HIS 45 11.581 -17.968 1.850 331 HA HIS 45 HA HIS 45 9.781 -16.311 0.576 332 HB2 HIS 45 2HB HIS 45 8.938 -18.301 -0.556 333 HB3 HIS 45 3HB HIS 45 10.692 -18.381 -0.409 334 HD1 HIS 45 HD1 HIS 45 11.669 -20.188 1.162 335 HD2 HIS 45 HD2 HIS 45 7.525 -20.243 0.877 336 HE1 HIS 45 HE1 HIS 45 10.953 -22.371 2.186 337 H GLY 46 H GLY 46 7.803 -15.591 1.025 338 HA2 GLY 46 2HA GLY 46 5.505 -16.198 1.667 339 HA3 GLY 46 3HA GLY 46 6.206 -17.083 3.014 340 H THR 47 H THR 47 8.142 -14.584 3.019 341 HA THR 47 HA THR 47 6.610 -13.188 5.052 342 HB THR 47 HB THR 47 9.469 -12.839 4.131 343 HG1 THR 47 HG1 THR 47 9.649 -13.649 6.463 344 HG21 THR 47 3HG2 THR 47 9.696 -11.477 6.218 345 HG22 THR 47 1HG2 THR 47 7.938 -11.491 6.356 346 HG23 THR 47 2HG2 THR 47 8.708 -10.723 4.967 347 H ALA 48 H ALA 48 5.277 -11.614 4.454 348 HA ALA 48 HA ALA 48 5.426 -10.265 1.966 349 HB1 ALA 48 1HB ALA 48 3.446 -9.287 2.538 350 HB2 ALA 48 2HB ALA 48 3.425 -10.659 3.647 351 HB3 ALA 48 3HB ALA 48 3.913 -9.066 4.224 352 H VAL 49 H VAL 49 5.787 -8.010 1.588 353 HA VAL 49 HA VAL 49 7.283 -6.557 3.636 354 HB VAL 49 HB VAL 49 8.365 -6.972 0.845 355 HG11 VAL 49 1HG1 VAL 49 10.333 -5.944 2.543 356 HG12 VAL 49 2HG1 VAL 49 9.507 -5.103 1.230 357 HG13 VAL 49 3HG1 VAL 49 8.883 -4.999 2.876 358 HG21 VAL 49 3HG2 VAL 49 9.194 -8.132 3.498 359 HG22 VAL 49 1HG2 VAL 49 8.688 -8.997 2.047 360 HG23 VAL 49 2HG2 VAL 49 10.228 -8.139 2.069 361 H GLU 50 H GLU 50 6.655 -4.503 3.724 362 HA GLU 50 HA GLU 50 4.755 -3.475 1.855 363 HB2 GLU 50 2HB GLU 50 4.560 -2.846 4.169 364 HB3 GLU 50 3HB GLU 50 6.196 -2.203 4.184 365 HG2 GLU 50 2HG GLU 50 4.537 -0.427 4.112 366 HG3 GLU 50 3HG GLU 50 5.538 -0.432 2.661 367 H LEU 51 H LEU 51 4.979 -1.850 0.349 368 HA LEU 51 HA LEU 51 7.747 -1.074 -0.301 369 HB2 LEU 51 2HB LEU 51 5.436 -1.712 -2.118 370 HB3 LEU 51 3HB LEU 51 6.890 -0.884 -2.670 371 HG LEU 51 HG LEU 51 7.072 -3.567 -1.347 372 HD11 LEU 51 1HD1 LEU 51 5.702 -3.023 -3.790 373 HD12 LEU 51 2HD1 LEU 51 6.017 -4.574 -3.012 374 HD13 LEU 51 3HD1 LEU 51 7.191 -3.900 -4.142 375 HD21 LEU 51 3HD2 LEU 51 9.011 -1.897 -2.000 376 HD22 LEU 51 1HD2 LEU 51 8.778 -2.621 -3.591 377 HD23 LEU 51 2HD2 LEU 51 9.185 -3.640 -2.210 378 HA PRO 52 HA PRO 52 5.664 2.868 0.650 379 HB2 PRO 52 2HB PRO 52 7.956 4.142 1.353 380 HB3 PRO 52 3HB PRO 52 7.053 3.105 2.464 381 HG2 PRO 52 2HG PRO 52 9.491 2.476 0.844 382 HG3 PRO 52 3HG PRO 52 9.129 2.059 2.529 383 HD2 PRO 52 2HD PRO 52 8.847 0.291 0.498 384 HD3 PRO 52 3HD PRO 52 7.803 0.271 1.934 385 H ASP 53 H ASP 53 5.636 4.834 -0.456 386 HA ASP 53 HA ASP 53 5.889 6.257 -2.213 387 HB2 ASP 53 2HB ASP 53 8.630 5.095 -2.672 388 HB3 ASP 53 3HB ASP 53 8.067 6.733 -2.994 389 H VAL 54 H VAL 54 4.497 4.001 -2.776 390 HA VAL 54 HA VAL 54 5.250 3.500 -5.571 391 HB VAL 54 HB VAL 54 4.295 1.390 -3.631 392 HG11 VAL 54 1HG1 VAL 54 4.547 1.438 -6.604 393 HG12 VAL 54 2HG1 VAL 54 4.844 -0.066 -5.730 394 HG13 VAL 54 3HG1 VAL 54 3.281 0.741 -5.594 395 HG21 VAL 54 3HG2 VAL 54 6.625 1.821 -3.302 396 HG22 VAL 54 1HG2 VAL 54 6.477 0.317 -4.213 397 HG23 VAL 54 2HG2 VAL 54 6.927 1.808 -5.040 398 H GLN 55 H GLN 55 3.552 3.298 -7.008 399 HA GLN 55 HA GLN 55 1.026 4.377 -6.088 400 HB2 GLN 55 2HB GLN 55 2.445 4.724 -8.380 401 HB3 GLN 55 3HB GLN 55 1.272 3.522 -8.900 402 HG2 GLN 55 2HG GLN 55 -0.507 4.936 -8.636 403 HG3 GLN 55 3HG GLN 55 0.309 5.911 -7.416 404 HE21 GLN 55 1HE2 GLN 55 -1.039 7.116 -9.448 405 HE22 GLN 55 2HE2 GLN 55 0.075 7.873 -10.530 406 H THR 56 H THR 56 -0.921 3.338 -7.490 407 HA THR 56 HA THR 56 -2.384 1.603 -7.683 408 HB THR 56 HB THR 56 -0.103 -0.349 -7.528 409 HG1 THR 56 HG1 THR 56 0.330 0.076 -9.698 410 HG21 THR 56 3HG2 THR 56 -1.640 -1.231 -9.504 411 HG22 THR 56 1HG2 THR 56 -2.857 -0.283 -8.651 412 HG23 THR 56 2HG2 THR 56 -2.008 -1.584 -7.816 413 H ALA 57 H ALA 57 -1.671 2.606 -5.085 414 HA ALA 57 HA ALA 57 -2.870 0.585 -3.478 415 HB1 ALA 57 1HB ALA 57 -0.050 0.480 -3.673 416 HB2 ALA 57 2HB ALA 57 -0.450 1.070 -2.059 417 HB3 ALA 57 3HB ALA 57 -1.112 -0.463 -2.627 418 HA PRO 58 HA PRO 58 -3.979 4.047 -1.021 419 HB2 PRO 58 2HB PRO 58 -4.101 2.982 1.473 420 HB3 PRO 58 3HB PRO 58 -5.294 2.628 0.218 421 HG2 PRO 58 2HG PRO 58 -2.938 1.007 1.103 422 HG3 PRO 58 3HG PRO 58 -4.585 0.471 0.724 423 HD2 PRO 58 2HD PRO 58 -2.531 0.213 -1.022 424 HD3 PRO 58 3HD PRO 58 -4.203 0.492 -1.549 425 H VAL 59 H VAL 59 -1.816 5.027 -1.484 426 HA VAL 59 HA VAL 59 -0.347 5.386 1.035 427 HB VAL 59 HB VAL 59 1.031 5.207 -1.643 428 HG11 VAL 59 1HG1 VAL 59 2.395 6.480 -0.277 429 HG12 VAL 59 2HG1 VAL 59 1.931 5.601 1.181 430 HG13 VAL 59 3HG1 VAL 59 3.007 4.850 0.002 431 HG21 VAL 59 3HG2 VAL 59 0.257 3.014 -1.242 432 HG22 VAL 59 1HG2 VAL 59 1.935 3.033 -0.698 433 HG23 VAL 59 2HG2 VAL 59 0.625 3.116 0.480 434 H ALA 60 H ALA 60 0.659 7.423 1.290 435 HA ALA 60 HA ALA 60 -0.769 9.629 0.456 436 HB1 ALA 60 1HB ALA 60 1.486 10.856 1.000 437 HB2 ALA 60 2HB ALA 60 0.552 10.074 2.275 438 HB3 ALA 60 3HB ALA 60 1.961 9.263 1.589 439 H GLU 61 H GLU 61 0.184 11.529 -0.798 440 HA GLU 61 HA GLU 61 0.349 10.921 -3.484 441 HB2 GLU 61 2HB GLU 61 1.265 13.226 -3.775 442 HB3 GLU 61 3HB GLU 61 -0.183 13.153 -2.781 443 HG2 GLU 61 2HG GLU 61 2.421 13.023 -1.384 444 HG3 GLU 61 3HG GLU 61 1.960 14.566 -2.103 445 H THR 62 H THR 62 1.936 10.441 -4.906 446 HA THR 62 HA THR 62 4.720 10.776 -4.282 447 HB THR 62 HB THR 62 3.876 7.925 -4.724 448 HG1 THR 62 HG1 THR 62 3.171 7.878 -2.737 449 HG21 THR 62 3HG2 THR 62 6.150 7.991 -3.181 450 HG22 THR 62 1HG2 THR 62 6.361 9.383 -4.242 451 HG23 THR 62 2HG2 THR 62 6.105 7.779 -4.930 452 H VAL 63 H VAL 63 6.124 10.063 -6.062 453 HA VAL 63 HA VAL 63 4.714 9.669 -8.607 454 HB VAL 63 HB VAL 63 5.230 12.090 -8.334 455 HG11 VAL 63 1HG1 VAL 63 7.437 12.908 -8.250 456 HG12 VAL 63 2HG1 VAL 63 7.369 11.623 -7.042 457 HG13 VAL 63 3HG1 VAL 63 8.124 11.324 -8.608 458 HG21 VAL 63 3HG2 VAL 63 5.106 10.923 -10.550 459 HG22 VAL 63 1HG2 VAL 63 6.075 12.396 -10.543 460 HG23 VAL 63 2HG2 VAL 63 6.866 10.820 -10.523 461 H ASN 64 H ASN 64 5.712 8.323 -10.016 462 HA ASN 64 HA ASN 64 8.478 7.788 -10.078 463 HB2 ASN 64 2HB ASN 64 7.892 6.676 -7.905 464 HB3 ASN 64 3HB ASN 64 6.843 5.585 -8.806 465 HD21 ASN 64 1HD2 ASN 64 10.095 6.874 -9.392 466 HD22 ASN 64 2HD2 ASN 64 10.854 5.335 -9.588 467 H LEU 65 H LEU 65 9.032 6.077 -11.605 468 HA LEU 65 HA LEU 65 6.817 5.120 -13.260 469 HB2 LEU 65 2HB LEU 65 7.806 7.324 -14.111 470 HB3 LEU 65 3HB LEU 65 9.237 6.378 -14.515 471 HG LEU 65 HG LEU 65 7.499 4.905 -15.827 472 HD11 LEU 65 1HD1 LEU 65 5.636 6.419 -14.870 473 HD12 LEU 65 2HD1 LEU 65 5.573 5.954 -16.570 474 HD13 LEU 65 3HD1 LEU 65 6.147 7.558 -16.116 475 HD21 LEU 65 3HD2 LEU 65 8.619 5.718 -17.565 476 HD22 LEU 65 1HD2 LEU 65 9.311 6.924 -16.481 477 HD23 LEU 65 2HD2 LEU 65 7.850 7.296 -17.396 478 H TRP 66 H TRP 66 7.144 3.139 -14.138 479 HA TRP 66 HA TRP 66 9.798 2.012 -14.343 480 HB2 TRP 66 2HB TRP 66 9.413 0.130 -12.874 481 HB3 TRP 66 3HB TRP 66 9.170 1.620 -11.965 482 HD1 TRP 66 HD1 TRP 66 7.210 -1.326 -13.455 483 HE1 TRP 66 HE1 TRP 66 4.907 -1.434 -12.309 484 HE3 TRP 66 HE3 TRP 66 7.449 3.000 -10.740 485 HZ2 TRP 66 HZ2 TRP 66 3.393 0.110 -10.495 486 HZ3 TRP 66 HZ3 TRP 66 5.531 3.612 -9.325 487 HH2 TRP 66 HH2 TRP 66 3.546 2.196 -9.207 488 H GLU 67 H GLU 67 9.450 -0.499 -14.905 489 HA GLU 67 HA GLU 67 7.116 -1.311 -16.215 490 HB2 GLU 67 2HB GLU 67 8.029 -1.124 -18.599 491 HB3 GLU 67 3HB GLU 67 7.384 0.338 -17.866 492 HG2 GLU 67 2HG GLU 67 9.618 1.119 -17.374 493 HG3 GLU 67 3HG GLU 67 10.304 -0.377 -18.004 494 H VAL 68 H VAL 68 7.249 -3.451 -16.306 495 HA VAL 68 HA VAL 68 9.626 -4.797 -17.217 496 HB VAL 68 HB VAL 68 10.291 -4.466 -14.918 497 HG11 VAL 68 1HG1 VAL 68 8.359 -6.058 -13.536 498 HG12 VAL 68 2HG1 VAL 68 8.836 -4.384 -13.243 499 HG13 VAL 68 3HG1 VAL 68 7.540 -4.747 -14.384 500 HG21 VAL 68 3HG2 VAL 68 10.903 -6.646 -14.429 501 HG22 VAL 68 1HG2 VAL 68 9.361 -7.308 -14.972 502 HG23 VAL 68 2HG2 VAL 68 10.540 -6.737 -16.152 503 H GLU 69 H GLU 69 8.942 -6.438 -18.412 504 HA GLU 69 HA GLU 69 6.759 -8.121 -17.497 505 HB2 GLU 69 2HB GLU 69 5.902 -6.136 -18.969 506 HB3 GLU 69 3HB GLU 69 6.568 -7.074 -20.299 507 HG2 GLU 69 2HG GLU 69 4.334 -7.700 -20.225 508 HG3 GLU 69 3HG GLU 69 5.172 -9.012 -19.397 509 H HIS 70 H HIS 70 7.043 -10.201 -18.065 510 HA HIS 70 HA HIS 70 8.729 -10.882 -20.340 511 HB2 HIS 70 2HB HIS 70 10.085 -12.452 -18.946 512 HB3 HIS 70 3HB HIS 70 10.368 -10.753 -18.578 513 HD1 HIS 70 HD1 HIS 70 9.359 -9.862 -16.312 514 HD2 HIS 70 HD2 HIS 70 9.127 -13.974 -16.854 515 HE1 HIS 70 HE1 HIS 70 8.843 -10.812 -14.041 516 H HIS 71 H HIS 71 8.894 -13.432 -20.395 517 HA HIS 71 HA HIS 71 6.144 -14.408 -20.057 518 HB2 HIS 71 2HB HIS 71 8.358 -15.175 -21.950 519 HB3 HIS 71 3HB HIS 71 6.945 -16.199 -21.712 520 HD1 HIS 71 HD1 HIS 71 4.576 -14.902 -22.210 521 HD2 HIS 71 HD2 HIS 71 8.028 -13.279 -23.857 522 HE1 HIS 71 HE1 HIS 71 3.791 -13.384 -24.056 Start of MODEL 10 1 H1 MET 1 H MET 1 3.151 -0.495 5.224 2 HA MET 1 HA MET 1 2.109 -2.369 3.380 3 HB2 MET 1 2HB MET 1 2.450 -0.633 1.734 4 HB3 MET 1 3HB MET 1 4.095 -0.367 2.296 5 HG2 MET 1 2HG MET 1 4.913 -2.083 1.117 6 HG3 MET 1 3HG MET 1 3.529 -3.115 1.467 7 HE1 MET 1 3HE MET 1 3.137 -3.977 -1.572 8 HE2 MET 1 1HE MET 1 2.382 -4.012 0.022 9 HE3 MET 1 2HE MET 1 1.519 -3.309 -1.346 10 H LYS 2 H LYS 2 2.909 -4.050 4.488 11 HA LYS 2 HA LYS 2 5.828 -4.255 4.717 12 HB2 LYS 2 2HB LYS 2 5.562 -5.304 6.956 13 HB3 LYS 2 3HB LYS 2 5.094 -3.609 6.922 14 HG2 LYS 2 2HG LYS 2 2.704 -4.595 6.506 15 HG3 LYS 2 3HG LYS 2 3.405 -6.038 7.240 16 HD2 LYS 2 2HD LYS 2 3.784 -3.399 8.579 17 HD3 LYS 2 3HD LYS 2 2.224 -4.215 8.717 18 HE2 LYS 2 2HE LYS 2 4.772 -5.685 9.278 19 HE3 LYS 2 3HE LYS 2 4.048 -4.649 10.506 20 HZ1 LYS 2 3HZ LYS 2 2.014 -5.943 10.349 21 HZ2 LYS 2 1HZ LYS 2 3.324 -6.940 10.741 22 HZ3 LYS 2 2HZ LYS 2 2.706 -6.936 9.167 23 H THR 3 H THR 3 6.646 -6.392 4.708 24 HA THR 3 HA THR 3 4.760 -8.560 4.194 25 HB THR 3 HB THR 3 5.229 -7.681 1.963 26 HG1 THR 3 HG1 THR 3 5.000 -9.856 1.892 27 HG21 THR 3 3HG2 THR 3 7.835 -7.307 3.003 28 HG22 THR 3 1HG2 THR 3 7.225 -6.863 1.409 29 HG23 THR 3 2HG2 THR 3 7.963 -8.445 1.662 30 H PHE 4 H PHE 4 5.744 -10.681 4.293 31 HA PHE 4 HA PHE 4 7.759 -10.819 6.328 32 HB2 PHE 4 2HB PHE 4 6.644 -13.126 4.730 33 HB3 PHE 4 3HB PHE 4 7.365 -13.176 6.336 34 HD1 PHE 4 HD2 PHE 4 6.144 -11.955 8.216 35 HD2 PHE 4 HD1 PHE 4 4.350 -12.882 4.469 36 HE1 PHE 4 HE2 PHE 4 3.915 -11.702 9.225 37 HE2 PHE 4 HE1 PHE 4 2.118 -12.629 5.472 38 HZ PHE 4 HZ PHE 4 1.898 -12.039 7.853 39 H ALA 5 H ALA 5 9.878 -11.277 6.143 40 HA ALA 5 HA ALA 5 11.039 -11.245 3.488 41 HB1 ALA 5 1HB ALA 5 12.470 -11.410 6.134 42 HB2 ALA 5 2HB ALA 5 13.141 -10.926 4.576 43 HB3 ALA 5 3HB ALA 5 11.955 -9.900 5.382 44 H LEU 6 H LEU 6 12.389 -12.840 2.626 45 HA LEU 6 HA LEU 6 12.605 -15.385 4.026 46 HB2 LEU 6 2HB LEU 6 11.523 -15.311 1.225 47 HB3 LEU 6 3HB LEU 6 11.611 -16.685 2.326 48 HG LEU 6 HG LEU 6 9.855 -14.307 2.874 49 HD11 LEU 6 1HD1 LEU 6 8.962 -16.848 1.538 50 HD12 LEU 6 2HD1 LEU 6 9.360 -15.381 0.644 51 HD13 LEU 6 3HD1 LEU 6 8.036 -15.372 1.809 52 HD21 LEU 6 3HD2 LEU 6 10.545 -16.670 4.289 53 HD22 LEU 6 1HD2 LEU 6 8.850 -16.787 3.814 54 HD23 LEU 6 2HD2 LEU 6 9.410 -15.401 4.750 55 H GLN 7 H GLN 7 13.710 -16.992 2.267 56 HA GLN 7 HA GLN 7 16.326 -16.149 1.986 57 HB2 GLN 7 2HB GLN 7 14.763 -18.440 1.207 58 HB3 GLN 7 3HB GLN 7 15.894 -18.021 -0.072 59 HG2 GLN 7 2HG GLN 7 17.709 -18.025 1.644 60 HG3 GLN 7 3HG GLN 7 16.534 -18.660 2.795 61 HE21 GLN 7 1HE2 GLN 7 16.646 -20.761 3.045 62 HE22 GLN 7 2HE2 GLN 7 17.097 -21.915 1.842 63 H GLY 8 H GLY 8 17.341 -14.812 0.642 64 HA2 GLY 8 2HA GLY 8 17.798 -13.493 -1.181 65 HA3 GLY 8 3HA GLY 8 16.812 -14.603 -2.122 66 H ASP 9 H ASP 9 15.353 -13.068 0.596 67 HA ASP 9 HA ASP 9 14.018 -11.145 -1.192 68 HB2 ASP 9 2HB ASP 9 12.837 -13.072 0.773 69 HB3 ASP 9 3HB ASP 9 12.023 -11.540 0.469 70 H THR 10 H THR 10 16.290 -10.928 0.742 71 HA THR 10 HA THR 10 15.348 -9.480 3.014 72 HB THR 10 HB THR 10 17.593 -9.110 3.580 73 HG1 THR 10 HG1 THR 10 18.572 -9.779 1.025 74 HG21 THR 10 3HG2 THR 10 16.903 -11.537 3.423 75 HG22 THR 10 1HG2 THR 10 18.640 -11.236 3.391 76 HG23 THR 10 2HG2 THR 10 17.781 -11.601 1.895 77 H LEU 11 H LEU 11 16.498 -7.203 3.351 78 HA LEU 11 HA LEU 11 15.108 -5.326 1.904 79 HB2 LEU 11 2HB LEU 11 17.795 -4.971 3.224 80 HB3 LEU 11 3HB LEU 11 16.702 -3.669 2.761 81 HG LEU 11 HG LEU 11 16.203 -5.756 4.882 82 HD11 LEU 11 1HD1 LEU 11 17.724 -4.223 5.775 83 HD12 LEU 11 2HD1 LEU 11 16.150 -3.635 6.309 84 HD13 LEU 11 3HD1 LEU 11 16.968 -2.856 4.955 85 HD21 LEU 11 3HD2 LEU 11 14.137 -5.164 3.744 86 HD22 LEU 11 1HD2 LEU 11 14.487 -3.450 3.968 87 HD23 LEU 11 2HD2 LEU 11 14.171 -4.475 5.368 88 H ASP 12 H ASP 12 18.361 -6.571 1.292 89 HA ASP 12 HA ASP 12 19.149 -4.867 -0.745 90 HB2 ASP 12 2HB ASP 12 19.746 -7.772 -0.218 91 HB3 ASP 12 3HB ASP 12 20.462 -6.913 -1.580 92 H ALA 13 H ALA 13 17.024 -7.665 -0.862 93 HA ALA 13 HA ALA 13 16.775 -7.511 -3.751 94 HB1 ALA 13 1HB ALA 13 16.677 -9.715 -3.169 95 HB2 ALA 13 2HB ALA 13 15.854 -9.391 -1.642 96 HB3 ALA 13 3HB ALA 13 14.955 -9.331 -3.158 97 H ILE 14 H ILE 14 14.562 -7.268 -0.962 98 HA ILE 14 HA ILE 14 12.264 -6.523 -2.277 99 HB ILE 14 HB ILE 14 13.213 -5.490 0.398 100 HG12 ILE 14 2HG1 ILE 14 11.387 -7.823 -0.202 101 HG13 ILE 14 3HG1 ILE 14 13.110 -7.992 0.117 102 HG21 ILE 14 1HG2 ILE 14 11.387 -4.151 -0.491 103 HG22 ILE 14 2HG2 ILE 14 10.440 -5.610 -0.780 104 HG23 ILE 14 3HG2 ILE 14 10.835 -5.127 0.870 105 HD11 ILE 14 3HD1 ILE 14 12.834 -7.141 2.340 106 HD12 ILE 14 1HD1 ILE 14 11.137 -6.774 2.032 107 HD13 ILE 14 2HD1 ILE 14 11.683 -8.451 2.077 108 H CYS 15 H CYS 15 14.788 -4.358 -1.003 109 HA CYS 15 HA CYS 15 13.667 -1.937 -1.767 110 HB2 CYS 15 2HB CYS 15 16.546 -2.794 -1.490 111 HB3 CYS 15 3HB CYS 15 16.088 -1.135 -1.853 112 HG CYS 15 HG CYS 15 14.514 -0.936 0.538 113 H VAL 16 H VAL 16 15.271 -4.356 -3.674 114 HA VAL 16 HA VAL 16 15.591 -2.609 -5.968 115 HB VAL 16 HB VAL 16 16.088 -5.572 -5.654 116 HG11 VAL 16 1HG1 VAL 16 17.336 -5.308 -7.813 117 HG12 VAL 16 2HG1 VAL 16 15.582 -5.176 -7.948 118 HG13 VAL 16 3HG1 VAL 16 16.582 -3.723 -7.979 119 HG21 VAL 16 3HG2 VAL 16 18.109 -3.364 -5.966 120 HG22 VAL 16 1HG2 VAL 16 17.560 -3.946 -4.394 121 HG23 VAL 16 2HG2 VAL 16 18.390 -5.042 -5.499 122 H ARG 17 H ARG 17 13.369 -5.020 -4.788 123 HA ARG 17 HA ARG 17 11.997 -5.261 -7.330 124 HB2 ARG 17 2HB ARG 17 10.902 -7.048 -6.427 125 HB3 ARG 17 3HB ARG 17 12.297 -7.026 -5.356 126 HG2 ARG 17 2HG ARG 17 10.972 -5.706 -3.732 127 HG3 ARG 17 3HG ARG 17 9.571 -5.884 -4.790 128 HD2 ARG 17 2HD ARG 17 10.170 -8.436 -4.612 129 HD3 ARG 17 3HD ARG 17 10.977 -7.923 -3.131 130 HE ARG 17 HE ARG 17 8.297 -6.945 -3.313 131 HH11 ARG 17 1HH1 ARG 17 10.241 -9.708 -2.474 132 HH12 ARG 17 2HH1 ARG 17 9.067 -10.367 -1.383 133 HH21 ARG 17 1HH2 ARG 17 6.743 -7.801 -1.880 134 HH22 ARG 17 2HH2 ARG 17 7.077 -9.282 -1.047 135 H TYR 18 H TYR 18 11.959 -3.141 -4.716 136 HA TYR 18 HA TYR 18 9.182 -2.332 -5.254 137 HB2 TYR 18 2HB TYR 18 10.884 -2.303 -2.839 138 HB3 TYR 18 3HB TYR 18 9.872 -0.881 -3.068 139 HD1 TYR 18 HD2 TYR 18 7.429 -1.077 -3.044 140 HD2 TYR 18 HD1 TYR 18 9.918 -4.453 -2.329 141 HE1 TYR 18 HE2 TYR 18 5.502 -2.296 -2.124 142 HE2 TYR 18 HE1 TYR 18 7.997 -5.682 -1.408 143 HH TYR 18 HH TYR 18 5.320 -5.464 -1.789 144 H TYR 19 H TYR 19 12.261 -0.776 -4.339 145 HA TYR 19 HA TYR 19 11.473 1.605 -5.829 146 HB2 TYR 19 2HB TYR 19 14.026 1.285 -4.269 147 HB3 TYR 19 3HB TYR 19 13.153 2.764 -4.653 148 HD1 TYR 19 HD2 TYR 19 11.086 3.336 -3.424 149 HD2 TYR 19 HD1 TYR 19 13.450 -0.037 -2.358 150 HE1 TYR 19 HE2 TYR 19 9.948 3.235 -1.247 151 HE2 TYR 19 HE1 TYR 19 12.317 -0.149 -0.177 152 HH TYR 19 HH TYR 19 10.984 1.011 1.267 153 H GLY 20 H GLY 20 13.887 -0.952 -5.863 154 HA2 GLY 20 2HA GLY 20 14.912 -1.748 -7.837 155 HA3 GLY 20 3HA GLY 20 14.545 -0.217 -8.618 156 H ARG 21 H ARG 21 15.957 -0.219 -5.454 157 HA ARG 21 HA ARG 21 18.680 -0.131 -6.298 158 HB2 ARG 21 2HB ARG 21 19.135 2.210 -5.876 159 HB3 ARG 21 3HB ARG 21 17.904 2.069 -7.123 160 HG2 ARG 21 2HG ARG 21 16.925 2.331 -4.354 161 HG3 ARG 21 3HG ARG 21 17.723 3.745 -5.045 162 HD2 ARG 21 2HD ARG 21 16.120 3.029 -7.098 163 HD3 ARG 21 3HD ARG 21 15.146 2.493 -5.730 164 HE ARG 21 HE ARG 21 16.138 5.155 -5.401 165 HH11 ARG 21 1HH1 ARG 21 13.639 3.232 -6.875 166 HH12 ARG 21 2HH1 ARG 21 12.493 4.529 -6.931 167 HH21 ARG 21 1HH2 ARG 21 14.638 6.872 -5.470 168 HH22 ARG 21 2HH2 ARG 21 13.062 6.600 -6.133 169 H THR 22 H THR 22 20.147 0.443 -4.487 170 HA THR 22 HA THR 22 18.879 -0.135 -1.888 171 HB THR 22 HB THR 22 21.363 -0.970 -1.405 172 HG1 THR 22 HG1 THR 22 22.310 -1.847 -3.211 173 HG21 THR 22 3HG2 THR 22 20.349 -3.222 -2.615 174 HG22 THR 22 1HG2 THR 22 18.903 -2.262 -2.307 175 HG23 THR 22 2HG2 THR 22 19.981 -2.685 -0.977 176 H GLU 23 H GLU 23 21.167 1.803 -3.656 177 HA GLU 23 HA GLU 23 22.382 3.037 -1.391 178 HB2 GLU 23 2HB GLU 23 23.293 2.900 -3.782 179 HB3 GLU 23 3HB GLU 23 22.212 4.238 -4.148 180 HG2 GLU 23 2HG GLU 23 24.174 4.408 -1.895 181 HG3 GLU 23 3HG GLU 23 24.653 4.752 -3.556 182 H GLY 24 H GLY 24 21.307 4.282 -0.009 183 HA2 GLY 24 2HA GLY 24 20.290 6.359 0.529 184 HA3 GLY 24 3HA GLY 24 19.595 6.406 -1.085 185 H VAL 25 H VAL 25 18.868 3.448 -0.588 186 HA VAL 25 HA VAL 25 16.305 4.059 0.692 187 HB VAL 25 HB VAL 25 17.051 1.565 -0.835 188 HG11 VAL 25 1HG1 VAL 25 14.267 2.464 -0.756 189 HG12 VAL 25 2HG1 VAL 25 14.949 0.854 -0.513 190 HG13 VAL 25 3HG1 VAL 25 14.926 2.013 0.817 191 HG21 VAL 25 3HG2 VAL 25 15.499 2.799 -2.576 192 HG22 VAL 25 1HG2 VAL 25 16.123 4.234 -1.763 193 HG23 VAL 25 2HG2 VAL 25 17.236 3.098 -2.525 194 H VAL 26 H VAL 26 18.984 1.750 0.847 195 HA VAL 26 HA VAL 26 18.035 0.049 2.817 196 HB VAL 26 HB VAL 26 20.411 -0.385 3.390 197 HG11 VAL 26 1HG1 VAL 26 19.690 -1.722 1.651 198 HG12 VAL 26 2HG1 VAL 26 19.462 -0.357 0.556 199 HG13 VAL 26 3HG1 VAL 26 21.089 -0.923 0.937 200 HG21 VAL 26 3HG2 VAL 26 21.768 1.026 1.393 201 HG22 VAL 26 1HG2 VAL 26 20.740 2.213 2.195 202 HG23 VAL 26 2HG2 VAL 26 21.887 1.261 3.137 203 H GLU 27 H GLU 27 19.204 3.307 3.080 204 HA GLU 27 HA GLU 27 19.688 3.243 5.900 205 HB2 GLU 27 2HB GLU 27 19.463 5.429 3.853 206 HB3 GLU 27 3HB GLU 27 19.549 5.812 5.567 207 HG2 GLU 27 2HG GLU 27 21.598 4.226 4.037 208 HG3 GLU 27 3HG GLU 27 21.732 5.931 4.462 209 H THR 28 H THR 28 16.948 3.930 3.848 210 HA THR 28 HA THR 28 15.336 5.222 5.787 211 HB THR 28 HB THR 28 14.016 3.611 3.666 212 HG1 THR 28 HG1 THR 28 14.665 5.501 2.234 213 HG21 THR 28 3HG2 THR 28 13.362 6.351 3.564 214 HG22 THR 28 1HG2 THR 28 13.475 5.924 5.271 215 HG23 THR 28 2HG2 THR 28 12.387 5.031 4.208 216 H VAL 29 H VAL 29 15.016 1.926 4.449 217 HA VAL 29 HA VAL 29 13.146 0.963 6.238 218 HB VAL 29 HB VAL 29 15.405 -0.612 4.996 219 HG11 VAL 29 1HG1 VAL 29 14.595 -2.235 6.315 220 HG12 VAL 29 2HG1 VAL 29 13.104 -1.352 6.651 221 HG13 VAL 29 3HG1 VAL 29 13.261 -2.285 5.163 222 HG21 VAL 29 3HG2 VAL 29 13.285 0.768 3.768 223 HG22 VAL 29 1HG2 VAL 29 14.393 -0.390 3.032 224 HG23 VAL 29 2HG2 VAL 29 12.864 -0.944 3.714 225 H LEU 30 H LEU 30 16.570 1.436 6.676 226 HA LEU 30 HA LEU 30 16.903 -0.200 8.962 227 HB2 LEU 30 2HB LEU 30 18.430 1.999 7.670 228 HB3 LEU 30 3HB LEU 30 18.840 1.569 9.329 229 HG LEU 30 HG LEU 30 18.878 -0.332 6.986 230 HD11 LEU 30 1HD1 LEU 30 20.918 1.462 8.164 231 HD12 LEU 30 2HD1 LEU 30 20.718 0.903 6.504 232 HD13 LEU 30 3HD1 LEU 30 21.429 -0.165 7.715 233 HD21 LEU 30 3HD2 LEU 30 18.649 -0.897 9.672 234 HD22 LEU 30 1HD2 LEU 30 20.383 -1.020 9.377 235 HD23 LEU 30 2HD2 LEU 30 19.257 -1.991 8.429 236 H ALA 31 H ALA 31 16.224 3.261 8.566 237 HA ALA 31 HA ALA 31 16.231 3.913 11.307 238 HB1 ALA 31 1HB ALA 31 15.308 5.201 8.814 239 HB2 ALA 31 2HB ALA 31 14.579 5.775 10.314 240 HB3 ALA 31 3HB ALA 31 16.330 5.828 10.109 241 H ALA 32 H ALA 32 13.725 2.690 9.166 242 HA ALA 32 HA ALA 32 11.628 3.008 11.118 243 HB1 ALA 32 1HB ALA 32 10.514 1.378 9.314 244 HB2 ALA 32 2HB ALA 32 10.651 3.121 9.079 245 HB3 ALA 32 3HB ALA 32 11.824 2.036 8.333 246 H ASN 33 H ASN 33 13.893 0.545 10.189 247 HA ASN 33 HA ASN 33 12.795 -1.196 12.282 248 HB2 ASN 33 2HB ASN 33 13.214 -1.838 9.416 249 HB3 ASN 33 3HB ASN 33 13.712 -3.066 10.576 250 HD21 ASN 33 1HD2 ASN 33 10.990 -0.910 9.869 251 HD22 ASN 33 2HD2 ASN 33 9.758 -2.050 10.281 252 HA PRO 34 HA PRO 34 17.349 -0.442 12.792 253 HB2 PRO 34 2HB PRO 34 17.200 0.079 15.453 254 HB3 PRO 34 3HB PRO 34 16.971 1.321 14.216 255 HG2 PRO 34 2HG PRO 34 14.918 -0.204 15.772 256 HG3 PRO 34 3HG PRO 34 14.962 1.523 15.370 257 HD2 PRO 34 2HD PRO 34 13.438 -0.251 14.006 258 HD3 PRO 34 3HD PRO 34 14.162 1.176 13.236 259 H GLY 35 H GLY 35 18.837 -1.880 13.616 260 HA2 GLY 35 2HA GLY 35 19.595 -3.657 14.963 261 HA3 GLY 35 3HA GLY 35 17.932 -3.983 15.429 262 H LEU 36 H LEU 36 17.277 -3.772 12.433 263 HA LEU 36 HA LEU 36 17.287 -6.548 11.916 264 HB2 LEU 36 2HB LEU 36 15.835 -4.536 10.980 265 HB3 LEU 36 3HB LEU 36 17.019 -4.613 9.677 266 HG LEU 36 HG LEU 36 14.985 -5.856 9.136 267 HD11 LEU 36 1HD1 LEU 36 17.535 -6.645 8.715 268 HD12 LEU 36 2HD1 LEU 36 16.122 -7.457 8.044 269 HD13 LEU 36 3HD1 LEU 36 16.877 -8.073 9.513 270 HD21 LEU 36 3HD2 LEU 36 14.231 -7.719 10.363 271 HD22 LEU 36 1HD2 LEU 36 14.526 -6.457 11.560 272 HD23 LEU 36 2HD2 LEU 36 15.693 -7.763 11.350 273 H ALA 37 H ALA 37 19.447 -3.946 11.022 274 HA ALA 37 HA ALA 37 20.860 -5.268 8.973 275 HB1 ALA 37 1HB ALA 37 22.712 -3.582 10.066 276 HB2 ALA 37 2HB ALA 37 21.507 -3.128 8.860 277 HB3 ALA 37 3HB ALA 37 21.191 -2.844 10.572 278 H GLU 38 H GLU 38 21.126 -5.342 12.463 279 HA GLU 38 HA GLU 38 23.596 -6.874 12.367 280 HB2 GLU 38 2HB GLU 38 21.912 -6.123 14.762 281 HB3 GLU 38 3HB GLU 38 23.550 -6.761 14.792 282 HG2 GLU 38 2HG GLU 38 24.227 -4.702 13.485 283 HG3 GLU 38 3HG GLU 38 22.627 -4.064 13.857 284 H LEU 39 H LEU 39 20.653 -7.707 11.600 285 HA LEU 39 HA LEU 39 19.993 -9.876 13.287 286 HB2 LEU 39 2HB LEU 39 18.446 -8.738 11.699 287 HB3 LEU 39 3HB LEU 39 19.298 -9.531 10.375 288 HG LEU 39 HG LEU 39 18.546 -11.694 11.122 289 HD11 LEU 39 1HD1 LEU 39 18.473 -11.740 13.407 290 HD12 LEU 39 2HD1 LEU 39 16.756 -11.582 13.041 291 HD13 LEU 39 3HD1 LEU 39 17.687 -10.166 13.526 292 HD21 LEU 39 3HD2 LEU 39 16.001 -11.223 11.083 293 HD22 LEU 39 1HD2 LEU 39 16.975 -10.795 9.677 294 HD23 LEU 39 2HD2 LEU 39 16.484 -9.547 10.822 295 H GLY 40 H GLY 40 21.844 -9.659 10.275 296 HA2 GLY 40 2HA GLY 40 23.766 -11.451 10.627 297 HA3 GLY 40 3HA GLY 40 22.400 -12.523 10.355 298 H ALA 41 H ALA 41 23.871 -13.187 8.546 299 HA ALA 41 HA ALA 41 24.442 -11.536 6.363 300 HB1 ALA 41 1HB ALA 41 24.303 -14.457 6.822 301 HB2 ALA 41 2HB ALA 41 24.268 -13.903 5.147 302 HB3 ALA 41 3HB ALA 41 25.620 -13.467 6.192 303 H VAL 42 H VAL 42 21.892 -14.032 6.494 304 HA VAL 42 HA VAL 42 20.294 -12.347 4.676 305 HB VAL 42 HB VAL 42 21.107 -14.475 3.657 306 HG11 VAL 42 1HG1 VAL 42 20.175 -16.589 4.372 307 HG12 VAL 42 2HG1 VAL 42 21.026 -15.831 5.719 308 HG13 VAL 42 3HG1 VAL 42 19.264 -15.788 5.652 309 HG21 VAL 42 3HG2 VAL 42 19.318 -14.124 2.383 310 HG22 VAL 42 1HG2 VAL 42 18.404 -15.185 3.455 311 HG23 VAL 42 2HG2 VAL 42 18.424 -13.445 3.744 312 H LEU 43 H LEU 43 18.202 -11.937 5.189 313 HA LEU 43 HA LEU 43 17.354 -12.155 7.850 314 HB2 LEU 43 2HB LEU 43 16.058 -11.407 5.277 315 HB3 LEU 43 3HB LEU 43 15.032 -11.701 6.680 316 HG LEU 43 HG LEU 43 16.087 -9.911 7.892 317 HD11 LEU 43 1HD1 LEU 43 18.325 -9.892 7.342 318 HD12 LEU 43 2HD1 LEU 43 17.735 -8.461 6.497 319 HD13 LEU 43 3HD1 LEU 43 18.010 -9.958 5.608 320 HD21 LEU 43 3HD2 LEU 43 14.812 -9.516 5.307 321 HD22 LEU 43 1HD2 LEU 43 15.798 -8.140 5.804 322 HD23 LEU 43 2HD2 LEU 43 14.507 -8.725 6.855 323 HA PRO 44 HA PRO 44 15.478 -16.102 8.234 324 HB2 PRO 44 2HB PRO 44 13.266 -15.556 9.710 325 HB3 PRO 44 3HB PRO 44 14.902 -15.515 10.379 326 HG2 PRO 44 2HG PRO 44 13.183 -13.252 9.437 327 HG3 PRO 44 3HG PRO 44 14.202 -13.355 10.884 328 HD2 PRO 44 2HD PRO 44 14.983 -12.054 8.642 329 HD3 PRO 44 3HD PRO 44 16.131 -12.884 9.713 330 H HIS 45 H HIS 45 13.046 -17.069 8.245 331 HA HIS 45 HA HIS 45 11.755 -16.070 5.791 332 HB2 HIS 45 2HB HIS 45 11.069 -18.509 5.458 333 HB3 HIS 45 3HB HIS 45 12.761 -18.117 5.171 334 HD1 HIS 45 HD1 HIS 45 10.580 -20.282 7.157 335 HD2 HIS 45 HD2 HIS 45 14.516 -18.963 7.320 336 HE1 HIS 45 HE1 HIS 45 11.744 -21.835 8.757 337 H GLY 46 H GLY 46 10.277 -14.825 7.007 338 HA2 GLY 46 2HA GLY 46 7.788 -15.502 7.384 339 HA3 GLY 46 3HA GLY 46 8.473 -16.304 8.789 340 H THR 47 H THR 47 10.464 -13.887 8.709 341 HA THR 47 HA THR 47 9.060 -12.377 10.700 342 HB THR 47 HB THR 47 11.741 -11.860 9.398 343 HG1 THR 47 HG1 THR 47 11.266 -12.839 12.016 344 HG21 THR 47 3HG2 THR 47 10.139 -10.276 11.220 345 HG22 THR 47 1HG2 THR 47 11.637 -9.860 10.388 346 HG23 THR 47 2HG2 THR 47 11.692 -10.711 11.931 347 H ALA 48 H ALA 48 7.815 -10.652 10.407 348 HA ALA 48 HA ALA 48 7.246 -9.615 7.838 349 HB1 ALA 48 1HB ALA 48 6.571 -7.998 10.228 350 HB2 ALA 48 2HB ALA 48 5.575 -8.449 8.843 351 HB3 ALA 48 3HB ALA 48 5.886 -9.621 10.124 352 H VAL 49 H VAL 49 7.579 -7.471 7.045 353 HA VAL 49 HA VAL 49 9.697 -5.908 8.315 354 HB VAL 49 HB VAL 49 9.846 -6.787 5.428 355 HG11 VAL 49 1HG1 VAL 49 11.132 -5.002 5.125 356 HG12 VAL 49 2HG1 VAL 49 11.000 -4.568 6.831 357 HG13 VAL 49 3HG1 VAL 49 12.271 -5.669 6.295 358 HG21 VAL 49 3HG2 VAL 49 10.589 -8.659 6.531 359 HG22 VAL 49 1HG2 VAL 49 12.090 -7.741 6.408 360 HG23 VAL 49 2HG2 VAL 49 11.178 -7.742 7.917 361 H GLU 50 H GLU 50 9.353 -3.774 8.166 362 HA GLU 50 HA GLU 50 7.042 -2.868 6.642 363 HB2 GLU 50 2HB GLU 50 7.244 -2.199 8.996 364 HB3 GLU 50 3HB GLU 50 8.773 -1.406 8.643 365 HG2 GLU 50 2HG GLU 50 7.329 0.368 8.632 366 HG3 GLU 50 3HG GLU 50 7.364 -0.058 6.922 367 H LEU 51 H LEU 51 7.113 -1.503 4.933 368 HA LEU 51 HA LEU 51 9.784 -0.691 3.990 369 HB2 LEU 51 2HB LEU 51 7.312 -1.344 2.392 370 HB3 LEU 51 3HB LEU 51 8.829 -0.755 1.715 371 HG LEU 51 HG LEU 51 8.640 -3.336 3.249 372 HD11 LEU 51 1HD1 LEU 51 7.458 -2.780 0.748 373 HD12 LEU 51 2HD1 LEU 51 7.651 -4.342 1.542 374 HD13 LEU 51 3HD1 LEU 51 8.897 -3.752 0.443 375 HD21 LEU 51 3HD2 LEU 51 10.848 -2.104 2.819 376 HD22 LEU 51 1HD2 LEU 51 10.618 -2.563 1.131 377 HD23 LEU 51 2HD2 LEU 51 10.752 -3.809 2.372 378 HA PRO 52 HA PRO 52 7.738 3.286 4.866 379 HB2 PRO 52 2HB PRO 52 10.066 4.632 5.236 380 HB3 PRO 52 3HB PRO 52 9.302 3.669 6.505 381 HG2 PRO 52 2HG PRO 52 11.571 2.951 4.689 382 HG3 PRO 52 3HG PRO 52 11.392 2.653 6.428 383 HD2 PRO 52 2HD PRO 52 10.935 0.740 4.568 384 HD3 PRO 52 3HD PRO 52 10.044 0.812 6.102 385 H ASP 53 H ASP 53 7.635 5.225 3.673 386 HA ASP 53 HA ASP 53 7.699 6.530 1.811 387 HB2 ASP 53 2HB ASP 53 10.259 6.234 2.409 388 HB3 ASP 53 3HB ASP 53 10.273 5.311 0.909 389 H VAL 54 H VAL 54 6.256 4.184 1.626 390 HA VAL 54 HA VAL 54 6.693 3.414 -1.187 391 HB VAL 54 HB VAL 54 5.578 1.694 1.032 392 HG11 VAL 54 1HG1 VAL 54 5.822 1.229 -1.930 393 HG12 VAL 54 2HG1 VAL 54 5.633 -0.084 -0.766 394 HG13 VAL 54 3HG1 VAL 54 4.374 1.142 -0.927 395 HG21 VAL 54 3HG2 VAL 54 7.985 1.883 1.159 396 HG22 VAL 54 1HG2 VAL 54 7.550 0.280 0.566 397 HG23 VAL 54 2HG2 VAL 54 8.136 1.507 -0.557 398 H GLN 55 H GLN 55 4.920 3.334 -2.527 399 HA GLN 55 HA GLN 55 2.383 4.294 -1.376 400 HB2 GLN 55 2HB GLN 55 3.468 4.905 -4.130 401 HB3 GLN 55 3HB GLN 55 1.968 5.512 -3.442 402 HG2 GLN 55 2HG GLN 55 3.414 6.560 -1.629 403 HG3 GLN 55 3HG GLN 55 4.783 6.206 -2.682 404 HE21 GLN 55 1HE2 GLN 55 2.290 8.359 -1.966 405 HE22 GLN 55 2HE2 GLN 55 2.460 9.402 -3.332 406 H THR 56 H THR 56 0.921 2.729 -1.419 407 HA THR 56 HA THR 56 1.091 0.604 -3.398 408 HB THR 56 HB THR 56 0.648 0.073 -1.004 409 HG1 THR 56 HG1 THR 56 -0.024 -1.471 -2.445 410 HG21 THR 56 3HG2 THR 56 -2.173 0.977 -1.369 411 HG22 THR 56 1HG2 THR 56 -0.957 2.150 -0.866 412 HG23 THR 56 2HG2 THR 56 -1.260 0.716 0.116 413 H ALA 57 H ALA 57 -1.111 -0.184 -4.263 414 HA ALA 57 HA ALA 57 -2.869 0.158 -5.668 415 HB1 ALA 57 1HB ALA 57 -3.899 1.082 -3.631 416 HB2 ALA 57 2HB ALA 57 -3.289 2.679 -4.066 417 HB3 ALA 57 3HB ALA 57 -4.475 1.877 -5.097 418 HA PRO 58 HA PRO 58 -0.365 2.872 -8.385 419 HB2 PRO 58 2HB PRO 58 -0.649 1.288 -10.572 420 HB3 PRO 58 3HB PRO 58 0.584 1.008 -9.336 421 HG2 PRO 58 2HG PRO 58 -2.073 -0.323 -9.696 422 HG3 PRO 58 3HG PRO 58 -0.505 -1.046 -9.295 423 HD2 PRO 58 2HD PRO 58 -2.402 -0.554 -7.427 424 HD3 PRO 58 3HD PRO 58 -0.665 -0.468 -7.070 425 H VAL 59 H VAL 59 -0.959 3.667 -10.667 426 HA VAL 59 HA VAL 59 -3.462 4.936 -10.563 427 HB VAL 59 HB VAL 59 -1.697 4.524 -12.981 428 HG11 VAL 59 1HG1 VAL 59 -3.679 5.277 -13.883 429 HG12 VAL 59 2HG1 VAL 59 -4.097 6.219 -12.450 430 HG13 VAL 59 3HG1 VAL 59 -2.847 6.797 -13.552 431 HG21 VAL 59 3HG2 VAL 59 -1.100 6.979 -12.328 432 HG22 VAL 59 1HG2 VAL 59 -1.640 6.479 -10.725 433 HG23 VAL 59 2HG2 VAL 59 -0.307 5.632 -11.511 434 H ALA 60 H ALA 60 -5.418 4.166 -10.970 435 HA ALA 60 HA ALA 60 -5.711 1.648 -12.410 436 HB1 ALA 60 1HB ALA 60 -7.940 1.574 -11.538 437 HB2 ALA 60 2HB ALA 60 -6.848 2.020 -10.226 438 HB3 ALA 60 3HB ALA 60 -7.840 3.253 -11.006 439 H GLU 61 H GLU 61 -5.765 4.912 -13.118 440 HA GLU 61 HA GLU 61 -7.812 4.715 -15.184 441 HB2 GLU 61 2HB GLU 61 -6.114 7.016 -14.215 442 HB3 GLU 61 3HB GLU 61 -7.236 7.140 -15.563 443 HG2 GLU 61 2HG GLU 61 -9.084 6.545 -14.073 444 HG3 GLU 61 3HG GLU 61 -7.954 6.447 -12.723 445 H THR 62 H THR 62 -5.917 2.963 -15.814 446 HA THR 62 HA THR 62 -4.788 4.085 -18.238 447 HB THR 62 HB THR 62 -2.944 2.611 -16.359 448 HG1 THR 62 HG1 THR 62 -2.014 4.814 -16.137 449 HG21 THR 62 3HG2 THR 62 -2.362 2.505 -18.731 450 HG22 THR 62 1HG2 THR 62 -1.201 3.493 -17.845 451 HG23 THR 62 2HG2 THR 62 -2.439 4.264 -18.837 452 H VAL 63 H VAL 63 -4.928 2.668 -19.864 453 HA VAL 63 HA VAL 63 -5.240 -0.187 -19.199 454 HB VAL 63 HB VAL 63 -7.390 0.834 -19.892 455 HG11 VAL 63 1HG1 VAL 63 -5.948 2.304 -21.634 456 HG12 VAL 63 2HG1 VAL 63 -6.552 1.041 -22.709 457 HG13 VAL 63 3HG1 VAL 63 -7.683 2.028 -21.782 458 HG21 VAL 63 3HG2 VAL 63 -6.841 -1.555 -20.312 459 HG22 VAL 63 1HG2 VAL 63 -8.002 -0.883 -21.458 460 HG23 VAL 63 2HG2 VAL 63 -6.319 -1.108 -21.936 461 H ASN 64 H ASN 64 -4.272 -1.671 -20.554 462 HA ASN 64 HA ASN 64 -1.916 -0.917 -21.853 463 HB2 ASN 64 2HB ASN 64 -3.562 -3.423 -21.820 464 HB3 ASN 64 3HB ASN 64 -2.196 -3.292 -22.924 465 HD21 ASN 64 1HD2 ASN 64 -2.975 -4.644 -20.184 466 HD22 ASN 64 2HD2 ASN 64 -1.501 -4.509 -19.293 467 H LEU 65 H LEU 65 -1.529 -1.758 -24.234 468 HA LEU 65 HA LEU 65 -3.726 -0.989 -25.997 469 HB2 LEU 65 2HB LEU 65 -2.524 1.077 -25.622 470 HB3 LEU 65 3HB LEU 65 -0.998 0.294 -26.029 471 HG LEU 65 HG LEU 65 -2.128 -0.108 -28.340 472 HD11 LEU 65 1HD1 LEU 65 -4.216 0.650 -28.477 473 HD12 LEU 65 2HD1 LEU 65 -3.521 2.270 -28.487 474 HD13 LEU 65 3HD1 LEU 65 -4.072 1.557 -26.971 475 HD21 LEU 65 3HD2 LEU 65 -0.260 1.578 -27.503 476 HD22 LEU 65 1HD2 LEU 65 -1.502 2.762 -27.909 477 HD23 LEU 65 2HD2 LEU 65 -0.913 1.644 -29.141 478 H TRP 66 H TRP 66 -3.854 -2.286 -27.712 479 HA TRP 66 HA TRP 66 -2.043 -4.445 -28.045 480 HB2 TRP 66 2HB TRP 66 -4.255 -3.443 -29.850 481 HB3 TRP 66 3HB TRP 66 -3.403 -4.970 -30.058 482 HD1 TRP 66 HD1 TRP 66 -3.418 -6.060 -27.116 483 HE1 TRP 66 HE1 TRP 66 -5.626 -6.784 -26.010 484 HE3 TRP 66 HE3 TRP 66 -6.688 -3.439 -30.043 485 HZ2 TRP 66 HZ2 TRP 66 -8.389 -6.307 -26.336 486 HZ3 TRP 66 HZ3 TRP 66 -9.098 -3.628 -29.580 487 HH2 TRP 66 HH2 TRP 66 -9.928 -5.034 -27.765 488 H GLU 67 H GLU 67 -1.454 -4.882 -30.562 489 HA GLU 67 HA GLU 67 -0.362 -2.540 -31.856 490 HB2 GLU 67 2HB GLU 67 1.356 -4.547 -30.441 491 HB3 GLU 67 3HB GLU 67 1.952 -3.759 -31.895 492 HG2 GLU 67 2HG GLU 67 1.435 -1.562 -30.769 493 HG3 GLU 67 3HG GLU 67 1.178 -2.486 -29.289 494 H VAL 68 H VAL 68 -1.016 -2.874 -33.872 495 HA VAL 68 HA VAL 68 -0.987 -5.599 -34.961 496 HB VAL 68 HB VAL 68 -2.381 -4.670 -36.790 497 HG11 VAL 68 1HG1 VAL 68 -3.677 -5.686 -35.174 498 HG12 VAL 68 2HG1 VAL 68 -3.238 -4.511 -33.932 499 HG13 VAL 68 3HG1 VAL 68 -4.364 -4.062 -35.213 500 HG21 VAL 68 3HG2 VAL 68 -3.004 -2.476 -36.948 501 HG22 VAL 68 1HG2 VAL 68 -2.842 -2.190 -35.216 502 HG23 VAL 68 2HG2 VAL 68 -1.404 -2.278 -36.234 503 H GLU 69 H GLU 69 1.483 -4.234 -34.661 504 HA GLU 69 HA GLU 69 2.214 -3.826 -37.487 505 HB2 GLU 69 2HB GLU 69 2.321 -1.784 -35.935 506 HB3 GLU 69 3HB GLU 69 3.692 -2.582 -35.179 507 HG2 GLU 69 2HG GLU 69 4.760 -1.254 -36.692 508 HG3 GLU 69 3HG GLU 69 4.575 -2.732 -37.635 509 H HIS 70 H HIS 70 2.806 -5.969 -37.811 510 HA HIS 70 HA HIS 70 4.475 -7.449 -36.081 511 HB2 HIS 70 2HB HIS 70 3.911 -7.758 -39.034 512 HB3 HIS 70 3HB HIS 70 4.814 -8.929 -38.078 513 HD1 HIS 70 HD1 HIS 70 1.633 -8.607 -39.420 514 HD2 HIS 70 HD2 HIS 70 2.995 -9.546 -35.609 515 HE1 HIS 70 HE1 HIS 70 -0.272 -9.809 -38.302 516 H HIS 71 H HIS 71 6.659 -8.290 -36.751 517 HA HIS 71 HA HIS 71 8.394 -6.037 -37.234 518 HB2 HIS 71 2HB HIS 71 8.816 -7.890 -35.540 519 HB3 HIS 71 3HB HIS 71 9.229 -8.919 -36.909 520 HD1 HIS 71 HD1 HIS 71 10.475 -6.005 -34.923 521 HD2 HIS 71 HD2 HIS 71 11.701 -8.383 -38.102 522 HE1 HIS 71 HE1 HIS 71 12.904 -5.456 -35.276 Start of MODEL 11 1 H1 MET 1 H MET 1 4.144 -7.113 -1.414 2 HA MET 1 HA MET 1 4.543 -9.373 -2.971 3 HB2 MET 1 2HB MET 1 6.181 -6.995 -3.829 4 HB3 MET 1 3HB MET 1 6.712 -8.647 -4.115 5 HG2 MET 1 2HG MET 1 4.208 -8.757 -5.113 6 HG3 MET 1 3HG MET 1 4.616 -7.074 -5.439 7 HE1 MET 1 3HE MET 1 6.600 -10.842 -6.338 8 HE2 MET 1 1HE MET 1 4.892 -10.570 -5.992 9 HE3 MET 1 2HE MET 1 5.446 -10.676 -7.663 10 H LYS 2 H LYS 2 5.898 -10.733 -1.934 11 HA LYS 2 HA LYS 2 7.848 -9.612 -0.049 12 HB2 LYS 2 2HB LYS 2 5.756 -11.697 0.579 13 HB3 LYS 2 3HB LYS 2 7.167 -11.409 1.590 14 HG2 LYS 2 2HG LYS 2 6.343 -9.484 2.431 15 HG3 LYS 2 3HG LYS 2 5.531 -9.045 0.927 16 HD2 LYS 2 2HD LYS 2 3.906 -9.523 2.677 17 HD3 LYS 2 3HD LYS 2 3.797 -10.719 1.383 18 HE2 LYS 2 2HE LYS 2 4.849 -12.372 2.675 19 HE3 LYS 2 3HE LYS 2 5.460 -11.195 3.837 20 HZ1 LYS 2 3HZ LYS 2 3.146 -10.784 4.517 21 HZ2 LYS 2 1HZ LYS 2 3.624 -12.385 4.787 22 HZ3 LYS 2 2HZ LYS 2 2.628 -12.010 3.472 23 H THR 3 H THR 3 9.604 -10.992 0.452 24 HA THR 3 HA THR 3 9.833 -13.583 -0.772 25 HB THR 3 HB THR 3 10.341 -12.398 -2.764 26 HG1 THR 3 HG1 THR 3 12.514 -13.001 -3.066 27 HG21 THR 3 3HG2 THR 3 11.952 -10.582 -2.895 28 HG22 THR 3 1HG2 THR 3 12.273 -10.712 -1.166 29 HG23 THR 3 2HG2 THR 3 10.688 -10.184 -1.732 30 H PHE 4 H PHE 4 11.756 -14.702 -0.154 31 HA PHE 4 HA PHE 4 12.712 -13.921 2.432 32 HB2 PHE 4 2HB PHE 4 13.762 -16.188 0.739 33 HB3 PHE 4 3HB PHE 4 13.814 -16.036 2.493 34 HD1 PHE 4 HD1 PHE 4 11.196 -15.427 3.341 35 HD2 PHE 4 HD2 PHE 4 12.402 -17.914 0.104 36 HE1 PHE 4 HE1 PHE 4 9.080 -16.672 3.513 37 HE2 PHE 4 HE2 PHE 4 10.289 -19.162 0.270 38 HZ PHE 4 HZ PHE 4 8.624 -18.541 1.976 39 H ALA 5 H ALA 5 14.751 -13.270 3.033 40 HA ALA 5 HA ALA 5 16.365 -12.103 0.901 41 HB1 ALA 5 1HB ALA 5 16.536 -11.777 3.894 42 HB2 ALA 5 2HB ALA 5 17.516 -10.910 2.711 43 HB3 ALA 5 3HB ALA 5 15.770 -10.662 2.762 44 H LEU 6 H LEU 6 17.655 -13.629 0.013 45 HA LEU 6 HA LEU 6 19.166 -15.412 1.779 46 HB2 LEU 6 2HB LEU 6 19.251 -15.536 -1.205 47 HB3 LEU 6 3HB LEU 6 19.477 -16.828 -0.028 48 HG LEU 6 HG LEU 6 16.828 -15.517 -0.627 49 HD11 LEU 6 1HD1 LEU 6 16.380 -17.782 -1.709 50 HD12 LEU 6 2HD1 LEU 6 18.131 -17.981 -1.740 51 HD13 LEU 6 3HD1 LEU 6 17.382 -16.640 -2.606 52 HD21 LEU 6 3HD2 LEU 6 15.903 -16.868 0.921 53 HD22 LEU 6 1HD2 LEU 6 17.530 -16.865 1.602 54 HD23 LEU 6 2HD2 LEU 6 17.007 -18.200 0.575 55 H GLN 7 H GLN 7 21.415 -15.955 0.496 56 HA GLN 7 HA GLN 7 23.143 -13.884 1.103 57 HB2 GLN 7 2HB GLN 7 23.535 -16.436 0.498 58 HB3 GLN 7 3HB GLN 7 23.900 -15.763 -1.086 59 HG2 GLN 7 2HG GLN 7 25.715 -14.527 -0.264 60 HG3 GLN 7 3HG GLN 7 25.213 -14.749 1.411 61 HE21 GLN 7 1HE2 GLN 7 27.336 -15.738 -0.900 62 HE22 GLN 7 2HE2 GLN 7 27.792 -17.266 -0.237 63 H GLY 8 H GLY 8 23.467 -11.967 0.200 64 HA2 GLY 8 2HA GLY 8 23.767 -10.349 -1.412 65 HA3 GLY 8 3HA GLY 8 23.771 -11.628 -2.617 66 H ASP 9 H ASP 9 21.051 -11.588 -0.555 67 HA ASP 9 HA ASP 9 19.465 -10.260 -2.655 68 HB2 ASP 9 2HB ASP 9 18.968 -12.770 -1.103 69 HB3 ASP 9 3HB ASP 9 17.592 -11.802 -1.626 70 H THR 10 H THR 10 20.706 -9.180 -0.179 71 HA THR 10 HA THR 10 18.648 -8.725 1.734 72 HB THR 10 HB THR 10 20.133 -7.217 2.807 73 HG1 THR 10 HG1 THR 10 21.741 -7.168 0.457 74 HG21 THR 10 3HG2 THR 10 21.740 -9.369 1.428 75 HG22 THR 10 1HG2 THR 10 20.877 -9.516 2.957 76 HG23 THR 10 2HG2 THR 10 22.281 -8.455 2.836 77 H LEU 11 H LEU 11 18.306 -6.224 2.310 78 HA LEU 11 HA LEU 11 16.470 -5.210 0.525 79 HB2 LEU 11 2HB LEU 11 18.137 -3.486 2.340 80 HB3 LEU 11 3HB LEU 11 16.489 -3.198 1.788 81 HG LEU 11 HG LEU 11 17.391 -5.295 3.760 82 HD11 LEU 11 1HD1 LEU 11 17.341 -3.075 4.710 83 HD12 LEU 11 2HD1 LEU 11 15.979 -4.015 5.320 84 HD13 LEU 11 3HD1 LEU 11 15.722 -2.803 4.064 85 HD21 LEU 11 3HD2 LEU 11 14.989 -5.077 2.124 86 HD22 LEU 11 1HD2 LEU 11 14.649 -5.170 3.852 87 HD23 LEU 11 2HD2 LEU 11 15.598 -6.435 3.071 88 H ASP 12 H ASP 12 19.907 -4.396 0.824 89 HA ASP 12 HA ASP 12 20.003 -2.346 -1.068 90 HB2 ASP 12 2HB ASP 12 22.073 -4.336 -0.148 91 HB3 ASP 12 3HB ASP 12 22.444 -3.069 -1.314 92 H ALA 13 H ALA 13 19.903 -5.808 -1.455 93 HA ALA 13 HA ALA 13 20.557 -5.678 -4.281 94 HB1 ALA 13 1HB ALA 13 21.305 -7.715 -3.795 95 HB2 ALA 13 2HB ALA 13 20.442 -7.739 -2.257 96 HB3 ALA 13 3HB ALA 13 19.620 -8.235 -3.736 97 H ILE 14 H ILE 14 17.786 -6.903 -2.390 98 HA ILE 14 HA ILE 14 16.014 -7.335 -4.445 99 HB ILE 14 HB ILE 14 15.394 -6.288 -1.682 100 HG12 ILE 14 2HG1 ILE 14 15.146 -9.114 -2.708 101 HG13 ILE 14 3HG1 ILE 14 16.623 -8.513 -1.962 102 HG21 ILE 14 1HG2 ILE 14 13.219 -7.742 -2.512 103 HG22 ILE 14 2HG2 ILE 14 13.329 -5.983 -2.477 104 HG23 ILE 14 3HG2 ILE 14 13.679 -6.859 -3.967 105 HD11 ILE 14 3HD1 ILE 14 14.962 -9.792 -0.506 106 HD12 ILE 14 1HD1 ILE 14 15.616 -8.279 0.119 107 HD13 ILE 14 2HD1 ILE 14 13.988 -8.323 -0.559 108 H CYS 15 H CYS 15 16.468 -4.312 -2.623 109 HA CYS 15 HA CYS 15 14.540 -2.763 -3.863 110 HB2 CYS 15 2HB CYS 15 17.214 -2.065 -2.669 111 HB3 CYS 15 3HB CYS 15 16.163 -0.828 -3.348 112 HG CYS 15 HG CYS 15 15.862 -2.556 -0.477 113 H VAL 16 H VAL 16 17.724 -3.682 -4.992 114 HA VAL 16 HA VAL 16 17.611 -1.897 -7.273 115 HB VAL 16 HB VAL 16 19.612 -4.061 -6.606 116 HG11 VAL 16 1HG1 VAL 16 19.733 -3.690 -8.933 117 HG12 VAL 16 2HG1 VAL 16 19.548 -1.945 -8.743 118 HG13 VAL 16 3HG1 VAL 16 21.039 -2.736 -8.230 119 HG21 VAL 16 3HG2 VAL 16 19.416 -2.111 -5.002 120 HG22 VAL 16 1HG2 VAL 16 21.007 -2.373 -5.716 121 HG23 VAL 16 2HG2 VAL 16 19.968 -1.086 -6.327 122 H ARG 17 H ARG 17 16.720 -5.125 -6.499 123 HA ARG 17 HA ARG 17 16.707 -6.032 -9.252 124 HB2 ARG 17 2HB ARG 17 15.684 -7.360 -6.735 125 HB3 ARG 17 3HB ARG 17 15.788 -8.121 -8.317 126 HG2 ARG 17 2HG ARG 17 18.339 -7.257 -7.979 127 HG3 ARG 17 3HG ARG 17 17.870 -7.629 -6.318 128 HD2 ARG 17 2HD ARG 17 18.011 -9.816 -6.698 129 HD3 ARG 17 3HD ARG 17 16.971 -9.690 -8.116 130 HE ARG 17 HE ARG 17 19.398 -8.781 -8.968 131 HH11 ARG 17 1HH1 ARG 17 18.256 -11.704 -7.462 132 HH12 ARG 17 2HH1 ARG 17 19.453 -12.710 -8.207 133 HH21 ARG 17 1HH2 ARG 17 20.980 -10.095 -9.955 134 HH22 ARG 17 2HH2 ARG 17 21.003 -11.794 -9.624 135 H TYR 18 H TYR 18 14.591 -4.444 -7.089 136 HA TYR 18 HA TYR 18 12.265 -5.095 -8.768 137 HB2 TYR 18 2HB TYR 18 12.548 -4.246 -5.906 138 HB3 TYR 18 3HB TYR 18 11.045 -3.931 -6.767 139 HD1 TYR 18 HD1 TYR 18 13.433 -6.768 -6.255 140 HD2 TYR 18 HD2 TYR 18 9.380 -5.506 -6.547 141 HE1 TYR 18 HE1 TYR 18 12.690 -9.065 -5.783 142 HE2 TYR 18 HE2 TYR 18 8.626 -7.799 -6.075 143 HH TYR 18 HH TYR 18 9.312 -9.831 -5.257 144 H TYR 19 H TYR 19 13.453 -2.310 -6.878 145 HA TYR 19 HA TYR 19 12.166 -0.482 -8.725 146 HB2 TYR 19 2HB TYR 19 13.933 0.301 -6.415 147 HB3 TYR 19 3HB TYR 19 12.629 1.222 -7.156 148 HD1 TYR 19 HD2 TYR 19 10.253 0.466 -6.801 149 HD2 TYR 19 HD1 TYR 19 13.515 -1.171 -4.615 150 HE1 TYR 19 HE2 TYR 19 8.684 -0.384 -5.109 151 HE2 TYR 19 HE1 TYR 19 11.956 -2.027 -2.917 152 HH TYR 19 HH TYR 19 9.818 -2.317 -2.360 153 H GLY 20 H GLY 20 15.413 -1.507 -7.839 154 HA2 GLY 20 2HA GLY 20 17.249 -1.484 -9.320 155 HA3 GLY 20 3HA GLY 20 16.414 -0.287 -10.300 156 H ARG 21 H ARG 21 16.464 0.266 -6.913 157 HA ARG 21 HA ARG 21 18.925 1.703 -6.799 158 HB2 ARG 21 2HB ARG 21 18.016 3.955 -6.587 159 HB3 ARG 21 3HB ARG 21 17.619 3.279 -8.161 160 HG2 ARG 21 2HG ARG 21 15.651 3.010 -5.944 161 HG3 ARG 21 3HG ARG 21 15.830 4.568 -6.754 162 HD2 ARG 21 2HD ARG 21 15.736 2.660 -8.798 163 HD3 ARG 21 3HD ARG 21 14.491 2.179 -7.646 164 HE ARG 21 HE ARG 21 14.460 4.471 -9.364 165 HH11 ARG 21 1HH1 ARG 21 13.310 3.171 -6.346 166 HH12 ARG 21 2HH1 ARG 21 11.914 4.195 -6.287 167 HH21 ARG 21 1HH2 ARG 21 12.626 5.825 -9.297 168 HH22 ARG 21 2HH2 ARG 21 11.525 5.703 -7.966 169 H THR 22 H THR 22 19.092 2.966 -4.719 170 HA THR 22 HA THR 22 17.441 1.691 -2.635 171 HB THR 22 HB THR 22 19.610 2.269 -1.211 172 HG1 THR 22 HG1 THR 22 21.183 2.866 -2.491 173 HG21 THR 22 3HG2 THR 22 20.452 -0.054 -1.771 174 HG22 THR 22 1HG2 THR 22 19.177 -0.126 -2.987 175 HG23 THR 22 2HG2 THR 22 18.761 0.055 -1.283 176 H GLU 23 H GLU 23 18.991 4.612 -3.772 177 HA GLU 23 HA GLU 23 18.604 6.253 -1.541 178 HB2 GLU 23 2HB GLU 23 19.826 6.643 -3.859 179 HB3 GLU 23 3HB GLU 23 18.292 7.391 -4.282 180 HG2 GLU 23 2HG GLU 23 19.753 8.163 -1.788 181 HG3 GLU 23 3HG GLU 23 20.166 8.869 -3.349 182 H GLY 24 H GLY 24 16.739 6.588 -0.526 183 HA2 GLY 24 2HA GLY 24 14.624 7.586 -0.319 184 HA3 GLY 24 3HA GLY 24 14.446 7.520 -2.066 185 H VAL 25 H VAL 25 15.425 4.573 -1.673 186 HA VAL 25 HA VAL 25 12.715 3.519 -1.318 187 HB VAL 25 HB VAL 25 15.134 2.052 -2.369 188 HG11 VAL 25 1HG1 VAL 25 12.755 1.048 -1.509 189 HG12 VAL 25 2HG1 VAL 25 12.437 1.287 -3.228 190 HG13 VAL 25 3HG1 VAL 25 13.794 0.284 -2.712 191 HG21 VAL 25 3HG2 VAL 25 14.941 3.623 -4.015 192 HG22 VAL 25 1HG2 VAL 25 13.742 2.461 -4.583 193 HG23 VAL 25 2HG2 VAL 25 13.227 3.901 -3.704 194 H VAL 26 H VAL 26 16.031 3.055 -0.170 195 HA VAL 26 HA VAL 26 15.659 0.871 1.495 196 HB VAL 26 HB VAL 26 17.566 1.745 2.827 197 HG11 VAL 26 1HG1 VAL 26 19.184 1.821 0.901 198 HG12 VAL 26 2HG1 VAL 26 18.097 0.430 0.921 199 HG13 VAL 26 3HG1 VAL 26 17.787 1.777 -0.175 200 HG21 VAL 26 3HG2 VAL 26 17.128 4.097 2.800 201 HG22 VAL 26 1HG2 VAL 26 18.672 3.824 1.992 202 HG23 VAL 26 2HG2 VAL 26 17.223 4.148 1.039 203 H GLU 27 H GLU 27 14.969 4.276 2.074 204 HA GLU 27 HA GLU 27 14.439 4.071 4.838 205 HB2 GLU 27 2HB GLU 27 13.403 6.042 2.795 206 HB3 GLU 27 3HB GLU 27 13.221 6.219 4.534 207 HG2 GLU 27 2HG GLU 27 15.562 6.458 4.841 208 HG3 GLU 27 3HG GLU 27 15.889 5.991 3.173 209 H THR 28 H THR 28 12.583 3.282 2.026 210 HA THR 28 HA THR 28 10.016 3.305 3.274 211 HB THR 28 HB THR 28 10.418 1.498 0.969 212 HG1 THR 28 HG1 THR 28 10.666 4.313 0.625 213 HG21 THR 28 3HG2 THR 28 8.372 2.389 0.249 214 HG22 THR 28 1HG2 THR 28 8.576 3.861 1.198 215 HG23 THR 28 2HG2 THR 28 8.221 2.333 2.005 216 H VAL 29 H VAL 29 12.031 0.583 2.137 217 HA VAL 29 HA VAL 29 10.583 -1.484 3.249 218 HB VAL 29 HB VAL 29 13.594 -1.375 3.027 219 HG11 VAL 29 1HG1 VAL 29 13.292 -3.321 4.163 220 HG12 VAL 29 2HG1 VAL 29 11.636 -3.529 3.590 221 HG13 VAL 29 3HG1 VAL 29 12.993 -3.920 2.532 222 HG21 VAL 29 3HG2 VAL 29 12.668 -2.793 0.871 223 HG22 VAL 29 1HG2 VAL 29 11.483 -1.494 1.014 224 HG23 VAL 29 2HG2 VAL 29 13.195 -1.110 0.839 225 H LEU 30 H LEU 30 13.077 0.518 4.755 226 HA LEU 30 HA LEU 30 13.193 -0.931 7.190 227 HB2 LEU 30 2HB LEU 30 14.193 1.649 6.169 228 HB3 LEU 30 3HB LEU 30 13.993 1.540 7.917 229 HG LEU 30 HG LEU 30 15.365 -0.752 7.387 230 HD11 LEU 30 1HD1 LEU 30 17.227 -0.104 5.903 231 HD12 LEU 30 2HD1 LEU 30 16.338 1.354 5.462 232 HD13 LEU 30 3HD1 LEU 30 15.687 -0.233 5.054 233 HD21 LEU 30 3HD2 LEU 30 16.233 0.385 9.134 234 HD22 LEU 30 1HD2 LEU 30 16.028 1.955 8.357 235 HD23 LEU 30 2HD2 LEU 30 17.393 0.927 7.920 236 H ALA 31 H ALA 31 11.128 1.606 5.987 237 HA ALA 31 HA ALA 31 10.026 2.308 8.540 238 HB1 ALA 31 1HB ALA 31 8.473 3.672 7.300 239 HB2 ALA 31 2HB ALA 31 10.092 3.873 6.626 240 HB3 ALA 31 3HB ALA 31 8.910 2.862 5.795 241 H ALA 32 H ALA 32 9.259 0.026 6.007 242 HA ALA 32 HA ALA 32 6.676 -0.624 7.168 243 HB1 ALA 32 1HB ALA 32 7.015 -2.507 5.278 244 HB2 ALA 32 2HB ALA 32 6.391 -0.890 4.946 245 HB3 ALA 32 3HB ALA 32 8.093 -1.254 4.662 246 H ASN 33 H ASN 33 9.942 -1.750 7.260 247 HA ASN 33 HA ASN 33 9.100 -3.950 9.016 248 HB2 ASN 33 2HB ASN 33 11.273 -4.139 6.918 249 HB3 ASN 33 3HB ASN 33 10.828 -5.403 8.060 250 HD21 ASN 33 1HD2 ASN 33 10.011 -3.761 5.143 251 HD22 ASN 33 2HD2 ASN 33 8.713 -4.798 4.670 252 HA PRO 34 HA PRO 34 12.270 -1.213 11.023 253 HB2 PRO 34 2HB PRO 34 10.956 -1.036 13.392 254 HB3 PRO 34 3HB PRO 34 10.642 0.053 12.036 255 HG2 PRO 34 2HG PRO 34 9.118 -2.370 12.911 256 HG3 PRO 34 3HG PRO 34 8.504 -0.794 12.379 257 HD2 PRO 34 2HD PRO 34 8.571 -2.956 10.751 258 HD3 PRO 34 3HD PRO 34 8.778 -1.300 10.147 259 H GLY 35 H GLY 35 13.845 -1.857 12.461 260 HA2 GLY 35 2HA GLY 35 14.804 -3.182 14.151 261 HA3 GLY 35 3HA GLY 35 13.428 -4.270 14.049 262 H LEU 36 H LEU 36 13.874 -4.139 10.996 263 HA LEU 36 HA LEU 36 15.318 -6.563 10.803 264 HB2 LEU 36 2HB LEU 36 13.550 -5.350 9.220 265 HB3 LEU 36 3HB LEU 36 15.029 -4.831 8.414 266 HG LEU 36 HG LEU 36 14.065 -6.817 7.363 267 HD11 LEU 36 1HD1 LEU 36 16.082 -7.714 6.922 268 HD12 LEU 36 2HD1 LEU 36 16.465 -7.964 8.625 269 HD13 LEU 36 3HD1 LEU 36 16.667 -6.369 7.902 270 HD21 LEU 36 3HD2 LEU 36 13.752 -7.653 10.082 271 HD22 LEU 36 1HD2 LEU 36 14.712 -8.843 9.203 272 HD23 LEU 36 2HD2 LEU 36 13.115 -8.387 8.610 273 H ALA 37 H ALA 37 16.179 -3.193 10.213 274 HA ALA 37 HA ALA 37 18.703 -3.649 9.053 275 HB1 ALA 37 1HB ALA 37 18.952 -1.239 10.368 276 HB2 ALA 37 2HB ALA 37 18.338 -1.473 8.731 277 HB3 ALA 37 3HB ALA 37 17.216 -1.376 10.088 278 H GLU 38 H GLU 38 17.646 -3.408 12.400 279 HA GLU 38 HA GLU 38 20.175 -3.203 13.607 280 HB2 GLU 38 2HB GLU 38 17.716 -4.539 14.746 281 HB3 GLU 38 3HB GLU 38 19.079 -3.903 15.655 282 HG2 GLU 38 2HG GLU 38 18.392 -1.676 14.390 283 HG3 GLU 38 3HG GLU 38 16.825 -2.482 14.366 284 H LEU 39 H LEU 39 18.564 -5.849 12.116 285 HA LEU 39 HA LEU 39 19.604 -8.056 13.409 286 HB2 LEU 39 2HB LEU 39 17.950 -8.073 11.553 287 HB3 LEU 39 3HB LEU 39 19.270 -7.757 10.429 288 HG LEU 39 HG LEU 39 20.251 -9.906 10.900 289 HD11 LEU 39 1HD1 LEU 39 18.011 -10.277 12.883 290 HD12 LEU 39 2HD1 LEU 39 19.716 -10.050 13.271 291 HD13 LEU 39 3HD1 LEU 39 19.192 -11.501 12.416 292 HD21 LEU 39 3HD2 LEU 39 17.515 -9.607 9.940 293 HD22 LEU 39 1HD2 LEU 39 17.882 -11.237 10.505 294 HD23 LEU 39 2HD2 LEU 39 18.871 -10.497 9.246 295 H GLY 40 H GLY 40 21.046 -6.299 10.659 296 HA2 GLY 40 2HA GLY 40 23.607 -6.078 11.386 297 HA3 GLY 40 3HA GLY 40 23.527 -7.784 10.968 298 H ALA 41 H ALA 41 24.961 -7.570 9.246 299 HA ALA 41 HA ALA 41 24.561 -5.672 7.150 300 HB1 ALA 41 1HB ALA 41 26.765 -6.315 7.304 301 HB2 ALA 41 2HB ALA 41 26.363 -8.013 7.565 302 HB3 ALA 41 3HB ALA 41 26.207 -7.307 5.956 303 H VAL 42 H VAL 42 24.659 -9.204 6.765 304 HA VAL 42 HA VAL 42 22.573 -8.975 4.721 305 HB VAL 42 HB VAL 42 24.384 -11.308 5.363 306 HG11 VAL 42 1HG1 VAL 42 22.813 -12.455 4.247 307 HG12 VAL 42 2HG1 VAL 42 22.058 -10.992 3.612 308 HG13 VAL 42 3HG1 VAL 42 23.479 -11.670 2.816 309 HG21 VAL 42 3HG2 VAL 42 25.931 -10.414 4.033 310 HG22 VAL 42 1HG2 VAL 42 24.742 -10.073 2.776 311 HG23 VAL 42 2HG2 VAL 42 25.003 -8.915 4.081 312 H LEU 43 H LEU 43 20.696 -10.200 4.762 313 HA LEU 43 HA LEU 43 19.801 -10.971 7.405 314 HB2 LEU 43 2HB LEU 43 18.293 -11.103 4.801 315 HB3 LEU 43 3HB LEU 43 17.616 -11.156 6.428 316 HG LEU 43 HG LEU 43 17.130 -9.001 5.808 317 HD11 LEU 43 1HD1 LEU 43 18.546 -9.078 7.875 318 HD12 LEU 43 2HD1 LEU 43 18.531 -7.527 7.038 319 HD13 LEU 43 3HD1 LEU 43 19.917 -8.604 6.873 320 HD21 LEU 43 3HD2 LEU 43 17.988 -8.026 4.005 321 HD22 LEU 43 1HD2 LEU 43 19.027 -9.439 3.816 322 HD23 LEU 43 2HD2 LEU 43 19.610 -8.028 4.700 323 HA PRO 44 HA PRO 44 20.341 -15.312 7.025 324 HB2 PRO 44 2HB PRO 44 18.229 -16.220 8.471 325 HB3 PRO 44 3HB PRO 44 19.645 -15.464 9.210 326 HG2 PRO 44 2HG PRO 44 16.974 -14.270 8.580 327 HG3 PRO 44 3HG PRO 44 17.970 -14.078 10.034 328 HD2 PRO 44 2HD PRO 44 17.876 -12.211 8.076 329 HD3 PRO 44 3HD PRO 44 19.334 -12.506 9.045 330 H HIS 45 H HIS 45 19.991 -16.481 5.253 331 HA HIS 45 HA HIS 45 17.957 -16.154 3.420 332 HB2 HIS 45 2HB HIS 45 18.571 -18.458 2.612 333 HB3 HIS 45 3HB HIS 45 19.931 -17.353 2.790 334 HD1 HIS 45 HD1 HIS 45 18.603 -20.579 3.979 335 HD2 HIS 45 HD2 HIS 45 21.620 -17.925 5.035 336 HE1 HIS 45 HE1 HIS 45 20.109 -21.857 5.536 337 H GLY 46 H GLY 46 15.854 -16.211 3.948 338 HA2 GLY 46 2HA GLY 46 14.174 -18.184 4.064 339 HA3 GLY 46 3HA GLY 46 14.887 -18.401 5.655 340 H THR 47 H THR 47 15.131 -15.284 5.557 341 HA THR 47 HA THR 47 12.587 -14.851 6.895 342 HB THR 47 HB THR 47 15.005 -13.057 6.613 343 HG1 THR 47 HG1 THR 47 13.980 -14.524 8.836 344 HG21 THR 47 3HG2 THR 47 12.288 -12.536 7.562 345 HG22 THR 47 1HG2 THR 47 13.567 -11.407 7.118 346 HG23 THR 47 2HG2 THR 47 13.539 -12.118 8.732 347 H ALA 48 H ALA 48 10.885 -14.133 5.812 348 HA ALA 48 HA ALA 48 11.141 -12.953 3.201 349 HB1 ALA 48 1HB ALA 48 9.104 -13.794 2.963 350 HB2 ALA 48 2HB ALA 48 9.109 -14.279 4.659 351 HB3 ALA 48 3HB ALA 48 8.490 -12.694 4.197 352 H VAL 49 H VAL 49 10.507 -10.871 2.575 353 HA VAL 49 HA VAL 49 10.153 -8.917 4.746 354 HB VAL 49 HB VAL 49 11.906 -8.436 2.336 355 HG11 VAL 49 1HG1 VAL 49 12.628 -6.638 4.243 356 HG12 VAL 49 2HG1 VAL 49 11.480 -6.315 2.942 357 HG13 VAL 49 3HG1 VAL 49 10.895 -6.784 4.539 358 HG21 VAL 49 3HG2 VAL 49 13.809 -8.610 3.871 359 HG22 VAL 49 1HG2 VAL 49 12.714 -9.087 5.169 360 HG23 VAL 49 2HG2 VAL 49 12.923 -10.131 3.763 361 H GLU 50 H GLU 50 8.716 -7.304 4.356 362 HA GLU 50 HA GLU 50 6.968 -7.613 2.093 363 HB2 GLU 50 2HB GLU 50 5.941 -7.080 4.183 364 HB3 GLU 50 3HB GLU 50 6.998 -5.696 4.421 365 HG2 GLU 50 2HG GLU 50 5.911 -4.453 2.732 366 HG3 GLU 50 3HG GLU 50 5.042 -5.872 2.151 367 H LEU 51 H LEU 51 6.884 -6.428 0.277 368 HA LEU 51 HA LEU 51 8.841 -4.249 -0.003 369 HB2 LEU 51 2HB LEU 51 7.522 -5.773 -2.234 370 HB3 LEU 51 3HB LEU 51 8.928 -4.715 -2.330 371 HG LEU 51 HG LEU 51 8.862 -7.390 -0.934 372 HD11 LEU 51 1HD1 LEU 51 8.636 -7.613 -3.358 373 HD12 LEU 51 2HD1 LEU 51 10.208 -8.184 -2.799 374 HD13 LEU 51 3HD1 LEU 51 10.070 -6.611 -3.585 375 HD21 LEU 51 3HD2 LEU 51 11.384 -7.036 -1.082 376 HD22 LEU 51 1HD2 LEU 51 10.506 -6.096 0.124 377 HD23 LEU 51 2HD2 LEU 51 11.009 -5.339 -1.387 378 HA PRO 52 HA PRO 52 4.908 -1.943 -0.042 379 HB2 PRO 52 2HB PRO 52 6.033 0.384 0.787 380 HB3 PRO 52 3HB PRO 52 5.558 -0.904 1.901 381 HG2 PRO 52 2HG PRO 52 8.265 -0.252 0.801 382 HG3 PRO 52 3HG PRO 52 7.807 -0.696 2.456 383 HD2 PRO 52 2HD PRO 52 8.901 -2.465 0.723 384 HD3 PRO 52 3HD PRO 52 7.726 -2.946 1.964 385 H ASP 53 H ASP 53 4.127 -0.397 -1.471 386 HA ASP 53 HA ASP 53 3.992 0.792 -3.405 387 HB2 ASP 53 2HB ASP 53 5.971 1.973 -2.013 388 HB3 ASP 53 3HB ASP 53 6.880 1.470 -3.435 389 H VAL 54 H VAL 54 4.262 -1.879 -3.783 390 HA VAL 54 HA VAL 54 6.008 -2.037 -6.153 391 HB VAL 54 HB VAL 54 5.376 -4.239 -4.185 392 HG11 VAL 54 1HG1 VAL 54 6.573 -4.286 -6.920 393 HG12 VAL 54 2HG1 VAL 54 7.112 -5.449 -5.707 394 HG13 VAL 54 3HG1 VAL 54 5.414 -5.391 -6.183 395 HG21 VAL 54 3HG2 VAL 54 7.897 -2.740 -4.863 396 HG22 VAL 54 1HG2 VAL 54 7.084 -2.854 -3.302 397 HG23 VAL 54 2HG2 VAL 54 7.893 -4.267 -3.980 398 H GLN 55 H GLN 55 5.188 -3.036 -7.971 399 HA GLN 55 HA GLN 55 2.436 -2.872 -8.425 400 HB2 GLN 55 2HB GLN 55 4.369 -2.901 -10.120 401 HB3 GLN 55 3HB GLN 55 4.268 -4.653 -10.015 402 HG2 GLN 55 2HG GLN 55 3.034 -3.682 -11.928 403 HG3 GLN 55 3HG GLN 55 2.032 -4.646 -10.845 404 HE21 GLN 55 1HE2 GLN 55 0.082 -3.763 -10.978 405 HE22 GLN 55 2HE2 GLN 55 -0.282 -2.093 -10.728 406 H THR 56 H THR 56 1.035 -4.698 -9.171 407 HA THR 56 HA THR 56 -0.082 -6.642 -8.774 408 HB THR 56 HB THR 56 2.399 -7.889 -7.635 409 HG1 THR 56 HG1 THR 56 3.403 -7.670 -9.480 410 HG21 THR 56 3HG2 THR 56 0.883 -9.339 -9.644 411 HG22 THR 56 1HG2 THR 56 -0.122 -8.843 -8.283 412 HG23 THR 56 2HG2 THR 56 1.323 -9.815 -8.004 413 H ALA 57 H ALA 57 -0.243 -4.682 -6.827 414 HA ALA 57 HA ALA 57 -0.877 -6.305 -4.506 415 HB1 ALA 57 1HB ALA 57 1.336 -4.349 -4.554 416 HB2 ALA 57 2HB ALA 57 0.274 -4.303 -3.147 417 HB3 ALA 57 3HB ALA 57 1.117 -5.794 -3.568 418 HA PRO 58 HA PRO 58 -4.273 -3.558 -4.096 419 HB2 PRO 58 2HB PRO 58 -4.590 -3.417 -1.403 420 HB3 PRO 58 3HB PRO 58 -4.992 -4.859 -2.344 421 HG2 PRO 58 2HG PRO 58 -2.540 -4.272 -0.731 422 HG3 PRO 58 3HG PRO 58 -3.482 -5.771 -0.829 423 HD2 PRO 58 2HD PRO 58 -1.163 -5.417 -2.181 424 HD3 PRO 58 3HD PRO 58 -2.493 -6.412 -2.809 425 H VAL 59 H VAL 59 -3.332 -1.635 -4.915 426 HA VAL 59 HA VAL 59 -2.778 0.357 -2.833 427 HB VAL 59 HB VAL 59 -1.051 1.371 -4.401 428 HG11 VAL 59 1HG1 VAL 59 -0.295 0.405 -2.382 429 HG12 VAL 59 2HG1 VAL 59 -0.579 -1.234 -2.973 430 HG13 VAL 59 3HG1 VAL 59 0.729 -0.264 -3.652 431 HG21 VAL 59 3HG2 VAL 59 -0.369 0.324 -6.267 432 HG22 VAL 59 1HG2 VAL 59 -0.436 -1.270 -5.513 433 HG23 VAL 59 2HG2 VAL 59 -1.906 -0.533 -6.151 434 H ALA 60 H ALA 60 -5.087 -0.304 -4.584 435 HA ALA 60 HA ALA 60 -5.293 1.667 -6.619 436 HB1 ALA 60 1HB ALA 60 -7.630 0.406 -5.217 437 HB2 ALA 60 2HB ALA 60 -7.517 0.968 -6.886 438 HB3 ALA 60 3HB ALA 60 -6.645 -0.480 -6.382 439 H GLU 61 H GLU 61 -4.849 3.706 -5.868 440 HA GLU 61 HA GLU 61 -6.956 5.137 -4.640 441 HB2 GLU 61 2HB GLU 61 -5.961 3.952 -2.649 442 HB3 GLU 61 3HB GLU 61 -4.487 4.869 -2.924 443 HG2 GLU 61 2HG GLU 61 -5.818 5.895 -1.188 444 HG3 GLU 61 3HG GLU 61 -5.717 6.952 -2.595 445 H THR 62 H THR 62 -6.804 6.736 -6.098 446 HA THR 62 HA THR 62 -6.038 8.604 -7.152 447 HB THR 62 HB THR 62 -3.658 8.679 -5.318 448 HG1 THR 62 HG1 THR 62 -4.996 9.639 -3.755 449 HG21 THR 62 3HG2 THR 62 -3.473 10.814 -5.978 450 HG22 THR 62 1HG2 THR 62 -5.203 11.106 -5.809 451 HG23 THR 62 2HG2 THR 62 -4.572 10.375 -7.285 452 H VAL 63 H VAL 63 -5.113 5.898 -7.895 453 HA VAL 63 HA VAL 63 -2.482 6.495 -9.055 454 HB VAL 63 HB VAL 63 -2.747 4.373 -7.770 455 HG11 VAL 63 1HG1 VAL 63 -4.288 3.250 -10.068 456 HG12 VAL 63 2HG1 VAL 63 -4.156 2.665 -8.408 457 HG13 VAL 63 3HG1 VAL 63 -5.142 4.082 -8.769 458 HG21 VAL 63 3HG2 VAL 63 -2.186 3.841 -10.679 459 HG22 VAL 63 1HG2 VAL 63 -1.083 4.736 -9.634 460 HG23 VAL 63 2HG2 VAL 63 -1.472 3.054 -9.272 461 H ASN 64 H ASN 64 -2.082 6.126 -11.279 462 HA ASN 64 HA ASN 64 -4.070 7.064 -13.017 463 HB2 ASN 64 2HB ASN 64 -1.669 5.449 -13.876 464 HB3 ASN 64 3HB ASN 64 -2.509 6.706 -14.780 465 HD21 ASN 64 1HD2 ASN 64 -2.666 8.809 -13.290 466 HD22 ASN 64 2HD2 ASN 64 -1.129 9.337 -12.704 467 H LEU 65 H LEU 65 -4.098 5.529 -15.259 468 HA LEU 65 HA LEU 65 -4.853 2.817 -14.634 469 HB2 LEU 65 2HB LEU 65 -7.146 3.294 -15.792 470 HB3 LEU 65 3HB LEU 65 -6.938 3.553 -14.061 471 HG LEU 65 HG LEU 65 -6.582 5.981 -14.551 472 HD11 LEU 65 1HD1 LEU 65 -7.585 5.242 -17.294 473 HD12 LEU 65 2HD1 LEU 65 -5.922 5.687 -16.914 474 HD13 LEU 65 3HD1 LEU 65 -7.219 6.861 -16.698 475 HD21 LEU 65 3HD2 LEU 65 -8.764 6.316 -14.192 476 HD22 LEU 65 1HD2 LEU 65 -8.899 4.558 -14.239 477 HD23 LEU 65 2HD2 LEU 65 -9.230 5.507 -15.688 478 H TRP 66 H TRP 66 -6.008 1.891 -16.752 479 HA TRP 66 HA TRP 66 -4.069 2.156 -18.823 480 HB2 TRP 66 2HB TRP 66 -6.743 0.770 -19.037 481 HB3 TRP 66 3HB TRP 66 -5.282 0.441 -19.965 482 HD1 TRP 66 HD1 TRP 66 -3.123 -0.439 -18.294 483 HE1 TRP 66 HE1 TRP 66 -3.254 -2.208 -16.429 484 HE3 TRP 66 HE3 TRP 66 -8.155 -0.306 -17.402 485 HZ2 TRP 66 HZ2 TRP 66 -5.229 -3.390 -14.796 486 HZ3 TRP 66 HZ3 TRP 66 -9.085 -1.788 -15.672 487 HH2 TRP 66 HH2 TRP 66 -7.651 -3.298 -14.397 488 H GLU 67 H GLU 67 -5.307 2.095 -21.194 489 HA GLU 67 HA GLU 67 -7.290 4.141 -21.485 490 HB2 GLU 67 2HB GLU 67 -4.412 4.776 -21.846 491 HB3 GLU 67 3HB GLU 67 -5.521 5.400 -23.060 492 HG2 GLU 67 2HG GLU 67 -6.874 6.264 -21.036 493 HG3 GLU 67 3HG GLU 67 -5.374 6.021 -20.143 494 H VAL 68 H VAL 68 -8.510 3.132 -22.942 495 HA VAL 68 HA VAL 68 -7.228 1.691 -25.149 496 HB VAL 68 HB VAL 68 -9.033 0.608 -23.720 497 HG11 VAL 68 1HG1 VAL 68 -11.164 1.345 -23.705 498 HG12 VAL 68 2HG1 VAL 68 -10.420 2.888 -24.131 499 HG13 VAL 68 3HG1 VAL 68 -11.108 1.862 -25.390 500 HG21 VAL 68 3HG2 VAL 68 -10.297 0.014 -26.070 501 HG22 VAL 68 1HG2 VAL 68 -8.746 0.641 -26.630 502 HG23 VAL 68 2HG2 VAL 68 -8.795 -0.721 -25.510 503 H GLU 69 H GLU 69 -7.542 4.674 -24.917 504 HA GLU 69 HA GLU 69 -9.343 5.237 -27.150 505 HB2 GLU 69 2HB GLU 69 -9.133 7.547 -26.574 506 HB3 GLU 69 3HB GLU 69 -9.376 6.653 -25.080 507 HG2 GLU 69 2HG GLU 69 -7.033 6.803 -24.552 508 HG3 GLU 69 3HG GLU 69 -6.699 7.567 -26.105 509 H HIS 70 H HIS 70 -6.750 3.814 -27.429 510 HA HIS 70 HA HIS 70 -5.842 5.153 -29.772 511 HB2 HIS 70 2HB HIS 70 -4.724 6.330 -27.701 512 HB3 HIS 70 3HB HIS 70 -3.677 4.914 -27.718 513 HD1 HIS 70 HD1 HIS 70 -4.973 6.990 -30.632 514 HD2 HIS 70 HD2 HIS 70 -1.398 5.803 -28.878 515 HE1 HIS 70 HE1 HIS 70 -3.160 7.869 -32.138 516 H HIS 71 H HIS 71 -3.840 4.004 -30.678 517 HA HIS 71 HA HIS 71 -4.385 1.281 -30.930 518 HB2 HIS 71 2HB HIS 71 -2.378 1.126 -32.218 519 HB3 HIS 71 3HB HIS 71 -3.072 2.713 -32.537 520 HD1 HIS 71 HD1 HIS 71 -1.601 4.691 -32.126 521 HD2 HIS 71 HD2 HIS 71 -0.101 1.219 -30.408 522 HE1 HIS 71 HE1 HIS 71 0.691 5.294 -31.284 Start of MODEL 12 1 H1 MET 1 H MET 1 13.421 -1.640 -12.180 2 HA MET 1 HA MET 1 15.802 -0.101 -11.433 3 HB2 MET 1 2HB MET 1 13.558 1.166 -11.129 4 HB3 MET 1 3HB MET 1 13.306 0.076 -9.773 5 HG2 MET 1 2HG MET 1 14.232 2.064 -8.900 6 HG3 MET 1 3HG MET 1 15.503 0.844 -8.860 7 HE1 MET 1 3HE MET 1 15.163 4.084 -8.819 8 HE2 MET 1 1HE MET 1 16.225 4.873 -9.986 9 HE3 MET 1 2HE MET 1 14.566 4.474 -10.433 10 H LYS 2 H LYS 2 16.801 -2.157 -11.179 11 HA LYS 2 HA LYS 2 16.086 -3.453 -8.643 12 HB2 LYS 2 2HB LYS 2 16.559 -5.660 -9.612 13 HB3 LYS 2 3HB LYS 2 15.210 -4.874 -10.421 14 HG2 LYS 2 2HG LYS 2 16.778 -4.172 -12.219 15 HG3 LYS 2 3HG LYS 2 18.031 -5.135 -11.434 16 HD2 LYS 2 2HD LYS 2 16.291 -7.056 -11.588 17 HD3 LYS 2 3HD LYS 2 15.531 -6.038 -12.813 18 HE2 LYS 2 2HE LYS 2 16.940 -7.374 -14.074 19 HE3 LYS 2 3HE LYS 2 17.909 -5.920 -13.834 20 HZ1 LYS 2 3HZ LYS 2 18.684 -7.301 -11.735 21 HZ2 LYS 2 1HZ LYS 2 19.429 -7.470 -13.245 22 HZ3 LYS 2 2HZ LYS 2 18.276 -8.599 -12.740 23 H THR 3 H THR 3 17.829 -4.440 -7.535 24 HA THR 3 HA THR 3 20.513 -4.109 -8.602 25 HB THR 3 HB THR 3 19.964 -1.937 -7.482 26 HG1 THR 3 HG1 THR 3 21.916 -2.133 -6.034 27 HG21 THR 3 3HG2 THR 3 19.047 -1.864 -5.453 28 HG22 THR 3 1HG2 THR 3 20.346 -2.849 -4.783 29 HG23 THR 3 2HG2 THR 3 18.927 -3.623 -5.488 30 H PHE 4 H PHE 4 22.133 -5.226 -7.372 31 HA PHE 4 HA PHE 4 21.135 -7.642 -6.195 32 HB2 PHE 4 2HB PHE 4 24.010 -6.726 -6.234 33 HB3 PHE 4 3HB PHE 4 23.402 -8.376 -6.154 34 HD1 PHE 4 HD2 PHE 4 22.055 -9.215 -8.183 35 HD2 PHE 4 HD1 PHE 4 24.590 -5.797 -8.271 36 HE1 PHE 4 HE2 PHE 4 22.192 -9.384 -10.633 37 HE2 PHE 4 HE1 PHE 4 24.731 -5.960 -10.722 38 HZ PHE 4 HZ PHE 4 23.532 -7.756 -11.906 39 H ALA 5 H ALA 5 21.217 -8.310 -4.088 40 HA ALA 5 HA ALA 5 21.475 -6.202 -2.100 41 HB1 ALA 5 1HB ALA 5 19.565 -7.926 -2.245 42 HB2 ALA 5 2HB ALA 5 20.712 -9.034 -1.490 43 HB3 ALA 5 3HB ALA 5 20.243 -7.550 -0.661 44 H LEU 6 H LEU 6 22.798 -6.349 -0.255 45 HA LEU 6 HA LEU 6 24.793 -8.461 -0.136 46 HB2 LEU 6 2HB LEU 6 25.551 -5.555 -0.395 47 HB3 LEU 6 3HB LEU 6 26.663 -6.881 -0.064 48 HG LEU 6 HG LEU 6 25.035 -6.713 -2.590 49 HD11 LEU 6 1HD1 LEU 6 27.847 -5.729 -2.127 50 HD12 LEU 6 2HD1 LEU 6 26.434 -4.715 -2.417 51 HD13 LEU 6 3HD1 LEU 6 27.012 -5.803 -3.679 52 HD21 LEU 6 3HD2 LEU 6 27.024 -8.544 -1.462 53 HD22 LEU 6 1HD2 LEU 6 27.343 -8.054 -3.126 54 HD23 LEU 6 2HD2 LEU 6 25.807 -8.814 -2.710 55 H GLN 7 H GLN 7 26.442 -7.682 1.755 56 HA GLN 7 HA GLN 7 25.055 -7.903 4.131 57 HB2 GLN 7 2HB GLN 7 27.775 -7.526 3.332 58 HB3 GLN 7 3HB GLN 7 27.433 -6.457 4.686 59 HG2 GLN 7 2HG GLN 7 26.365 -8.628 5.707 60 HG3 GLN 7 3HG GLN 7 27.445 -9.426 4.565 61 HE21 GLN 7 1HE2 GLN 7 28.191 -10.192 6.784 62 HE22 GLN 7 2HE2 GLN 7 29.469 -9.284 7.510 63 H GLY 8 H GLY 8 23.828 -6.562 5.276 64 HA2 GLY 8 2HA GLY 8 22.884 -4.634 6.088 65 HA3 GLY 8 3HA GLY 8 24.424 -3.854 5.761 66 H ASP 9 H ASP 9 22.728 -5.383 3.162 67 HA ASP 9 HA ASP 9 21.826 -2.748 2.203 68 HB2 ASP 9 2HB ASP 9 23.408 -4.861 0.790 69 HB3 ASP 9 3HB ASP 9 22.313 -3.838 -0.136 70 H THR 10 H THR 10 20.444 -5.008 3.580 71 HA THR 10 HA THR 10 18.778 -6.305 1.661 72 HB THR 10 HB THR 10 17.628 -7.269 3.463 73 HG1 THR 10 HG1 THR 10 18.638 -5.470 5.375 74 HG21 THR 10 3HG2 THR 10 20.314 -6.660 4.688 75 HG22 THR 10 1HG2 THR 10 20.097 -7.795 3.356 76 HG23 THR 10 2HG2 THR 10 19.323 -8.101 4.911 77 H LEU 11 H LEU 11 16.265 -6.115 2.136 78 HA LEU 11 HA LEU 11 15.345 -3.792 0.997 79 HB2 LEU 11 2HB LEU 11 13.769 -5.418 2.978 80 HB3 LEU 11 3HB LEU 11 13.144 -4.445 1.649 81 HG LEU 11 HG LEU 11 14.700 -7.018 1.401 82 HD11 LEU 11 1HD1 LEU 11 12.182 -6.908 2.148 83 HD12 LEU 11 2HD1 LEU 11 12.732 -8.096 0.967 84 HD13 LEU 11 3HD1 LEU 11 11.916 -6.629 0.426 85 HD21 LEU 11 3HD2 LEU 11 13.912 -6.738 -1.033 86 HD22 LEU 11 1HD2 LEU 11 15.304 -5.801 -0.489 87 HD23 LEU 11 2HD2 LEU 11 13.721 -5.033 -0.620 88 H ASP 12 H ASP 12 15.717 -4.531 4.431 89 HA ASP 12 HA ASP 12 14.443 -2.338 5.543 90 HB2 ASP 12 2HB ASP 12 15.158 -3.994 7.049 91 HB3 ASP 12 3HB ASP 12 16.808 -3.970 6.433 92 H ALA 13 H ALA 13 17.677 -2.589 4.172 93 HA ALA 13 HA ALA 13 18.315 0.155 4.879 94 HB1 ALA 13 1HB ALA 13 19.803 -2.186 4.160 95 HB2 ALA 13 2HB ALA 13 20.257 -0.841 3.112 96 HB3 ALA 13 3HB ALA 13 20.374 -0.673 4.863 97 H ILE 14 H ILE 14 18.014 -1.738 1.872 98 HA ILE 14 HA ILE 14 18.346 0.282 0.031 99 HB ILE 14 HB ILE 14 16.428 -2.044 -0.167 100 HG12 ILE 14 2HG1 ILE 14 19.257 -1.792 -1.205 101 HG13 ILE 14 3HG1 ILE 14 18.832 -2.605 0.297 102 HG21 ILE 14 1HG2 ILE 14 16.875 0.158 -1.918 103 HG22 ILE 14 2HG2 ILE 14 17.485 -1.309 -2.682 104 HG23 ILE 14 3HG2 ILE 14 15.810 -1.230 -2.135 105 HD11 ILE 14 3HD1 ILE 14 17.276 -3.566 -1.949 106 HD12 ILE 14 1HD1 ILE 14 19.011 -3.755 -2.196 107 HD13 ILE 14 2HD1 ILE 14 18.241 -4.456 -0.772 108 H CYS 15 H CYS 15 15.290 -0.770 1.528 109 HA CYS 15 HA CYS 15 13.574 0.998 0.261 110 HB2 CYS 15 2HB CYS 15 13.500 -0.233 3.011 111 HB3 CYS 15 3HB CYS 15 12.200 0.792 2.416 112 HG CYS 15 HG CYS 15 11.913 -0.956 0.082 113 H VAL 16 H VAL 16 15.884 1.577 2.781 114 HA VAL 16 HA VAL 16 14.783 4.174 3.462 115 HB VAL 16 HB VAL 16 17.333 2.829 4.366 116 HG11 VAL 16 1HG1 VAL 16 16.116 5.481 4.975 117 HG12 VAL 16 2HG1 VAL 16 16.985 4.622 6.248 118 HG13 VAL 16 3HG1 VAL 16 17.809 5.043 4.746 119 HG21 VAL 16 3HG2 VAL 16 15.148 1.769 5.039 120 HG22 VAL 16 1HG2 VAL 16 16.189 2.274 6.370 121 HG23 VAL 16 2HG2 VAL 16 14.791 3.253 5.924 122 H ARG 17 H ARG 17 17.345 2.822 1.508 123 HA ARG 17 HA ARG 17 18.569 5.403 1.020 124 HB2 ARG 17 2HB ARG 17 20.298 4.262 0.035 125 HB3 ARG 17 3HB ARG 17 19.675 3.004 1.095 126 HG2 ARG 17 2HG ARG 17 18.382 2.093 -0.798 127 HG3 ARG 17 3HG ARG 17 19.107 3.314 -1.845 128 HD2 ARG 17 2HD ARG 17 20.197 1.049 -1.910 129 HD3 ARG 17 3HD ARG 17 21.276 2.398 -1.557 130 HE ARG 17 HE ARG 17 20.226 1.092 0.783 131 HH11 ARG 17 1HH1 ARG 17 22.756 1.111 -1.609 132 HH12 ARG 17 2HH1 ARG 17 23.892 0.276 -0.603 133 HH21 ARG 17 1HH2 ARG 17 21.713 -0.009 2.117 134 HH22 ARG 17 2HH2 ARG 17 23.298 -0.362 1.516 135 H TYR 18 H TYR 18 15.948 3.693 -0.189 136 HA TYR 18 HA TYR 18 16.111 5.032 -2.804 137 HB2 TYR 18 2HB TYR 18 15.024 2.448 -1.907 138 HB3 TYR 18 3HB TYR 18 13.979 3.334 -3.013 139 HD1 TYR 18 HD1 TYR 18 17.405 1.959 -2.626 140 HD2 TYR 18 HD2 TYR 18 14.437 3.383 -5.321 141 HE1 TYR 18 HE1 TYR 18 18.757 1.169 -4.522 142 HE2 TYR 18 HE2 TYR 18 15.780 2.596 -7.225 143 HH TYR 18 HH TYR 18 18.524 2.145 -7.478 144 H TYR 19 H TYR 19 13.582 4.059 -0.479 145 HA TYR 19 HA TYR 19 12.015 6.398 -1.261 146 HB2 TYR 19 2HB TYR 19 11.151 4.265 0.681 147 HB3 TYR 19 3HB TYR 19 10.144 5.339 -0.283 148 HD1 TYR 19 HD2 TYR 19 9.730 4.877 -2.638 149 HD2 TYR 19 HD1 TYR 19 12.133 2.269 -0.288 150 HE1 TYR 19 HE2 TYR 19 9.543 3.148 -4.377 151 HE2 TYR 19 HE1 TYR 19 11.954 0.533 -2.021 152 HH TYR 19 HH TYR 19 10.161 0.010 -3.924 153 H GLY 20 H GLY 20 13.669 5.008 1.512 154 HA2 GLY 20 2HA GLY 20 14.629 6.301 3.241 155 HA3 GLY 20 3HA GLY 20 13.539 7.617 2.829 156 H ARG 21 H ARG 21 12.299 4.396 3.169 157 HA ARG 21 HA ARG 21 11.640 4.580 5.938 158 HB2 ARG 21 2HB ARG 21 9.219 4.822 5.706 159 HB3 ARG 21 3HB ARG 21 10.052 6.235 5.074 160 HG2 ARG 21 2HG ARG 21 9.350 4.058 3.180 161 HG3 ARG 21 3HG ARG 21 8.061 5.105 3.776 162 HD2 ARG 21 2HD ARG 21 9.818 6.988 3.140 163 HD3 ARG 21 3HD ARG 21 10.379 5.738 2.031 164 HE ARG 21 HE ARG 21 7.732 5.777 1.564 165 HH11 ARG 21 1HH1 ARG 21 10.123 8.302 1.735 166 HH12 ARG 21 2HH1 ARG 21 9.311 9.327 0.599 167 HH21 ARG 21 1HH2 ARG 21 6.653 7.118 0.067 168 HH22 ARG 21 2HH2 ARG 21 7.337 8.653 -0.349 169 H THR 22 H THR 22 10.345 2.751 6.671 170 HA THR 22 HA THR 22 10.512 0.480 4.798 171 HB THR 22 HB THR 22 10.470 -0.800 7.140 172 HG1 THR 22 HG1 THR 22 10.846 0.514 8.745 173 HG21 THR 22 3HG2 THR 22 12.278 -1.423 5.936 174 HG22 THR 22 1HG2 THR 22 13.131 -0.323 7.018 175 HG23 THR 22 2HG2 THR 22 12.631 0.225 5.418 176 H GLU 23 H GLU 23 8.516 2.272 6.980 177 HA GLU 23 HA GLU 23 6.468 0.319 7.303 178 HB2 GLU 23 2HB GLU 23 6.895 2.345 8.780 179 HB3 GLU 23 3HB GLU 23 6.126 3.306 7.525 180 HG2 GLU 23 2HG GLU 23 4.109 1.847 7.767 181 HG3 GLU 23 3HG GLU 23 4.888 1.118 9.170 182 H GLY 24 H GLY 24 5.307 -0.443 5.662 183 HA2 GLY 24 2HA GLY 24 3.572 -0.216 4.075 184 HA3 GLY 24 3HA GLY 24 4.030 1.466 3.850 185 H VAL 25 H VAL 25 6.921 0.438 3.683 186 HA VAL 25 HA VAL 25 6.829 -0.052 0.803 187 HB VAL 25 HB VAL 25 9.260 0.499 2.506 188 HG11 VAL 25 1HG1 VAL 25 9.320 -0.538 0.094 189 HG12 VAL 25 2HG1 VAL 25 9.036 1.133 -0.396 190 HG13 VAL 25 3HG1 VAL 25 10.458 0.724 0.565 191 HG21 VAL 25 3HG2 VAL 25 8.124 2.465 2.820 192 HG22 VAL 25 1HG2 VAL 25 8.943 2.817 1.297 193 HG23 VAL 25 2HG2 VAL 25 7.248 2.330 1.295 194 H VAL 26 H VAL 26 8.131 -1.464 3.774 195 HA VAL 26 HA VAL 26 9.596 -3.561 2.714 196 HB VAL 26 HB VAL 26 9.149 -4.766 4.835 197 HG11 VAL 26 1HG1 VAL 26 10.960 -3.319 4.986 198 HG12 VAL 26 2HG1 VAL 26 9.948 -1.879 4.854 199 HG13 VAL 26 3HG1 VAL 26 9.947 -2.827 6.342 200 HG21 VAL 26 3HG2 VAL 26 6.896 -4.279 5.314 201 HG22 VAL 26 1HG2 VAL 26 7.824 -3.452 6.565 202 HG23 VAL 26 2HG2 VAL 26 7.164 -2.539 5.208 203 H GLU 27 H GLU 27 6.131 -3.236 3.118 204 HA GLU 27 HA GLU 27 5.535 -5.982 2.576 205 HB2 GLU 27 2HB GLU 27 3.829 -3.491 2.593 206 HB3 GLU 27 3HB GLU 27 3.186 -5.095 2.271 207 HG2 GLU 27 2HG GLU 27 4.758 -4.617 4.757 208 HG3 GLU 27 3HG GLU 27 3.079 -4.086 4.666 209 H THR 28 H THR 28 6.052 -3.134 0.664 210 HA THR 28 HA THR 28 4.766 -3.994 -1.709 211 HB THR 28 HB THR 28 7.157 -2.197 -1.814 212 HG1 THR 28 HG1 THR 28 4.658 -1.623 -0.588 213 HG21 THR 28 3HG2 THR 28 4.833 -1.164 -3.077 214 HG22 THR 28 1HG2 THR 28 4.967 -2.869 -3.506 215 HG23 THR 28 2HG2 THR 28 6.308 -1.771 -3.828 216 H VAL 29 H VAL 29 8.264 -3.764 -1.022 217 HA VAL 29 HA VAL 29 9.180 -5.157 -3.224 218 HB VAL 29 HB VAL 29 10.418 -5.250 -0.470 219 HG11 VAL 29 1HG1 VAL 29 11.759 -6.690 -1.581 220 HG12 VAL 29 2HG1 VAL 29 11.296 -6.069 -3.166 221 HG13 VAL 29 3HG1 VAL 29 12.482 -5.202 -2.190 222 HG21 VAL 29 3HG2 VAL 29 10.210 -2.975 -0.846 223 HG22 VAL 29 1HG2 VAL 29 11.799 -3.321 -1.528 224 HG23 VAL 29 2HG2 VAL 29 10.404 -3.140 -2.591 225 H LEU 30 H LEU 30 7.815 -6.380 -0.249 226 HA LEU 30 HA LEU 30 8.665 -9.054 -0.455 227 HB2 LEU 30 2HB LEU 30 7.416 -7.694 1.443 228 HB3 LEU 30 3HB LEU 30 5.997 -8.423 0.694 229 HG LEU 30 HG LEU 30 7.264 -10.656 1.018 230 HD11 LEU 30 1HD1 LEU 30 9.378 -10.222 1.722 231 HD12 LEU 30 2HD1 LEU 30 8.588 -10.307 3.296 232 HD13 LEU 30 3HD1 LEU 30 8.917 -8.739 2.558 233 HD21 LEU 30 3HD2 LEU 30 5.876 -9.008 3.085 234 HD22 LEU 30 1HD2 LEU 30 6.527 -10.588 3.520 235 HD23 LEU 30 2HD2 LEU 30 5.322 -10.454 2.239 236 H ALA 31 H ALA 31 5.982 -7.312 -1.888 237 HA ALA 31 HA ALA 31 4.675 -9.664 -2.892 238 HB1 ALA 31 1HB ALA 31 3.580 -7.721 -4.364 239 HB2 ALA 31 2HB ALA 31 3.104 -8.044 -2.696 240 HB3 ALA 31 3HB ALA 31 4.241 -6.743 -3.052 241 H ALA 32 H ALA 32 7.047 -7.383 -4.076 242 HA ALA 32 HA ALA 32 6.894 -8.301 -6.804 243 HB1 ALA 32 1HB ALA 32 7.509 -6.042 -6.557 244 HB2 ALA 32 2HB ALA 32 8.744 -6.425 -5.358 245 HB3 ALA 32 3HB ALA 32 8.983 -6.879 -7.045 246 H ASN 33 H ASN 33 8.755 -9.044 -3.954 247 HA ASN 33 HA ASN 33 10.214 -11.082 -5.499 248 HB2 ASN 33 2HB ASN 33 11.259 -9.318 -3.280 249 HB3 ASN 33 3HB ASN 33 12.097 -10.762 -3.840 250 HD21 ASN 33 1HD2 ASN 33 10.760 -7.690 -4.960 251 HD22 ASN 33 2HD2 ASN 33 11.931 -7.432 -6.204 252 HA PRO 34 HA PRO 34 7.762 -13.064 -2.094 253 HB2 PRO 34 2HB PRO 34 6.829 -15.094 -3.636 254 HB3 PRO 34 3HB PRO 34 6.023 -13.525 -3.524 255 HG2 PRO 34 2HG PRO 34 7.868 -14.560 -5.642 256 HG3 PRO 34 3HG PRO 34 6.359 -13.644 -5.821 257 HD2 PRO 34 2HD PRO 34 8.799 -12.486 -6.017 258 HD3 PRO 34 3HD PRO 34 7.383 -11.628 -5.375 259 H GLY 35 H GLY 35 8.421 -14.781 -0.867 260 HA2 GLY 35 2HA GLY 35 9.506 -16.810 -0.403 261 HA3 GLY 35 3HA GLY 35 10.228 -16.766 -2.004 262 H LEU 36 H LEU 36 10.887 -13.812 -1.227 263 HA LEU 36 HA LEU 36 13.580 -14.338 -0.487 264 HB2 LEU 36 2HB LEU 36 12.464 -12.340 -1.794 265 HB3 LEU 36 3HB LEU 36 12.381 -11.629 -0.183 266 HG LEU 36 HG LEU 36 14.345 -10.865 -1.434 267 HD11 LEU 36 1HD1 LEU 36 15.572 -10.767 0.435 268 HD12 LEU 36 2HD1 LEU 36 15.662 -12.522 0.586 269 HD13 LEU 36 3HD1 LEU 36 14.240 -11.659 1.171 270 HD21 LEU 36 3HD2 LEU 36 15.989 -12.257 -2.267 271 HD22 LEU 36 1HD2 LEU 36 14.523 -13.172 -2.620 272 HD23 LEU 36 2HD2 LEU 36 15.521 -13.606 -1.232 273 H ALA 37 H ALA 37 10.711 -13.336 1.264 274 HA ALA 37 HA ALA 37 11.932 -12.502 3.650 275 HB1 ALA 37 1HB ALA 37 9.459 -13.704 4.296 276 HB2 ALA 37 2HB ALA 37 9.818 -11.990 4.080 277 HB3 ALA 37 3HB ALA 37 9.280 -12.958 2.707 278 H GLU 38 H GLU 38 11.603 -15.611 2.278 279 HA GLU 38 HA GLU 38 11.852 -17.009 4.815 280 HB2 GLU 38 2HB GLU 38 11.670 -17.959 1.957 281 HB3 GLU 38 3HB GLU 38 11.939 -19.048 3.310 282 HG2 GLU 38 2HG GLU 38 9.821 -18.317 4.305 283 HG3 GLU 38 3HG GLU 38 9.546 -17.266 2.917 284 H LEU 39 H LEU 39 13.897 -15.519 2.629 285 HA LEU 39 HA LEU 39 16.082 -17.186 2.369 286 HB2 LEU 39 2HB LEU 39 15.663 -14.818 1.451 287 HB3 LEU 39 3HB LEU 39 16.394 -14.263 2.956 288 HG LEU 39 HG LEU 39 17.971 -14.288 1.059 289 HD11 LEU 39 1HD1 LEU 39 19.076 -16.406 2.764 290 HD12 LEU 39 2HD1 LEU 39 18.420 -15.017 3.629 291 HD13 LEU 39 3HD1 LEU 39 19.684 -14.787 2.421 292 HD21 LEU 39 3HD2 LEU 39 16.857 -16.401 0.082 293 HD22 LEU 39 1HD2 LEU 39 17.927 -17.281 1.173 294 HD23 LEU 39 2HD2 LEU 39 18.606 -16.221 -0.062 295 H GLY 40 H GLY 40 15.488 -14.825 4.978 296 HA2 GLY 40 2HA GLY 40 16.081 -16.195 7.184 297 HA3 GLY 40 3HA GLY 40 17.689 -15.949 6.520 298 H ALA 41 H ALA 41 18.400 -14.657 8.201 299 HA ALA 41 HA ALA 41 16.940 -12.350 9.068 300 HB1 ALA 41 1HB ALA 41 19.694 -13.400 9.624 301 HB2 ALA 41 2HB ALA 41 19.166 -11.827 10.222 302 HB3 ALA 41 3HB ALA 41 18.309 -13.289 10.711 303 H VAL 42 H VAL 42 20.071 -12.703 7.385 304 HA VAL 42 HA VAL 42 19.614 -10.046 6.192 305 HB VAL 42 HB VAL 42 21.570 -10.156 7.714 306 HG11 VAL 42 1HG1 VAL 42 22.110 -12.546 7.207 307 HG12 VAL 42 2HG1 VAL 42 22.785 -12.006 5.669 308 HG13 VAL 42 3HG1 VAL 42 23.499 -11.460 7.187 309 HG21 VAL 42 3HG2 VAL 42 21.561 -9.297 4.948 310 HG22 VAL 42 1HG2 VAL 42 22.180 -8.478 6.381 311 HG23 VAL 42 2HG2 VAL 42 23.193 -9.639 5.523 312 H LEU 43 H LEU 43 19.616 -9.856 4.028 313 HA LEU 43 HA LEU 43 19.347 -12.095 2.375 314 HB2 LEU 43 2HB LEU 43 19.732 -9.178 1.920 315 HB3 LEU 43 3HB LEU 43 19.903 -10.274 0.550 316 HG LEU 43 HG LEU 43 17.625 -11.012 0.790 317 HD11 LEU 43 1HD1 LEU 43 17.768 -9.493 3.354 318 HD12 LEU 43 2HD1 LEU 43 17.119 -11.100 3.032 319 HD13 LEU 43 3HD1 LEU 43 16.220 -9.670 2.527 320 HD21 LEU 43 3HD2 LEU 43 17.239 -9.251 -0.520 321 HD22 LEU 43 1HD2 LEU 43 18.346 -8.228 0.396 322 HD23 LEU 43 2HD2 LEU 43 16.676 -8.419 0.930 323 HA PRO 44 HA PRO 44 23.405 -13.318 1.240 324 HB2 PRO 44 2HB PRO 44 23.127 -13.875 -1.402 325 HB3 PRO 44 3HB PRO 44 22.444 -14.893 -0.129 326 HG2 PRO 44 2HG PRO 44 21.106 -12.808 -1.809 327 HG3 PRO 44 3HG PRO 44 20.519 -14.415 -1.342 328 HD2 PRO 44 2HD PRO 44 19.711 -12.150 -0.097 329 HD3 PRO 44 3HD PRO 44 19.858 -13.704 0.749 330 H HIS 45 H HIS 45 24.955 -13.029 -0.868 331 HA HIS 45 HA HIS 45 25.087 -10.129 -1.377 332 HB2 HIS 45 2HB HIS 45 27.610 -10.516 -1.492 333 HB3 HIS 45 3HB HIS 45 26.871 -10.576 0.106 334 HD1 HIS 45 HD1 HIS 45 28.964 -12.493 -2.171 335 HD2 HIS 45 HD2 HIS 45 26.488 -13.315 1.062 336 HE1 HIS 45 HE1 HIS 45 29.602 -14.802 -1.406 337 H GLY 46 H GLY 46 24.007 -10.361 -3.372 338 HA2 GLY 46 2HA GLY 46 25.212 -10.279 -5.686 339 HA3 GLY 46 3HA GLY 46 25.332 -12.010 -5.405 340 H THR 47 H THR 47 22.629 -11.757 -3.971 341 HA THR 47 HA THR 47 21.041 -12.551 -6.184 342 HB THR 47 HB THR 47 20.219 -11.842 -3.362 343 HG1 THR 47 HG1 THR 47 20.537 -14.394 -4.589 344 HG21 THR 47 3HG2 THR 47 18.277 -13.468 -4.150 345 HG22 THR 47 1HG2 THR 47 18.681 -12.789 -5.726 346 HG23 THR 47 2HG2 THR 47 18.186 -11.726 -4.408 347 H ALA 48 H ALA 48 19.856 -11.377 -7.542 348 HA ALA 48 HA ALA 48 19.849 -8.540 -7.432 349 HB1 ALA 48 1HB ALA 48 19.164 -10.562 -9.324 350 HB2 ALA 48 2HB ALA 48 17.841 -9.400 -9.218 351 HB3 ALA 48 3HB ALA 48 19.472 -8.846 -9.595 352 H VAL 49 H VAL 49 18.013 -7.136 -7.293 353 HA VAL 49 HA VAL 49 15.585 -8.221 -6.098 354 HB VAL 49 HB VAL 49 17.234 -6.096 -4.720 355 HG11 VAL 49 1HG1 VAL 49 14.418 -6.907 -4.503 356 HG12 VAL 49 2HG1 VAL 49 15.282 -6.776 -2.970 357 HG13 VAL 49 3HG1 VAL 49 15.202 -5.391 -4.060 358 HG21 VAL 49 3HG2 VAL 49 17.186 -7.820 -2.849 359 HG22 VAL 49 1HG2 VAL 49 16.664 -8.976 -4.075 360 HG23 VAL 49 2HG2 VAL 49 18.228 -8.174 -4.227 361 H GLU 50 H GLU 50 13.853 -7.238 -6.910 362 HA GLU 50 HA GLU 50 14.220 -4.848 -8.526 363 HB2 GLU 50 2HB GLU 50 12.935 -6.744 -9.433 364 HB3 GLU 50 3HB GLU 50 11.774 -6.578 -8.122 365 HG2 GLU 50 2HG GLU 50 11.144 -4.378 -8.925 366 HG3 GLU 50 3HG GLU 50 12.347 -4.486 -10.209 367 H LEU 51 H LEU 51 13.171 -2.902 -8.199 368 HA LEU 51 HA LEU 51 12.087 -2.520 -5.492 369 HB2 LEU 51 2HB LEU 51 13.641 -0.785 -7.350 370 HB3 LEU 51 3HB LEU 51 12.550 -0.029 -6.191 371 HG LEU 51 HG LEU 51 14.805 -0.044 -5.324 372 HD11 LEU 51 1HD1 LEU 51 13.914 -0.315 -3.315 373 HD12 LEU 51 2HD1 LEU 51 13.989 -2.067 -3.505 374 HD13 LEU 51 3HD1 LEU 51 12.556 -1.183 -4.032 375 HD21 LEU 51 3HD2 LEU 51 14.671 -3.030 -5.721 376 HD22 LEU 51 1HD2 LEU 51 15.932 -2.189 -4.819 377 HD23 LEU 51 2HD2 LEU 51 15.739 -1.895 -6.548 378 HA PRO 52 HA PRO 52 8.318 -2.071 -8.016 379 HB2 PRO 52 2HB PRO 52 6.638 -2.723 -5.986 380 HB3 PRO 52 3HB PRO 52 7.463 -3.933 -6.976 381 HG2 PRO 52 2HG PRO 52 8.177 -2.903 -4.257 382 HG3 PRO 52 3HG PRO 52 8.197 -4.569 -4.863 383 HD2 PRO 52 2HD PRO 52 10.441 -3.068 -4.655 384 HD3 PRO 52 3HD PRO 52 10.226 -4.294 -5.921 385 H ASP 53 H ASP 53 6.529 -0.604 -7.856 386 HA ASP 53 HA ASP 53 5.541 1.391 -7.388 387 HB2 ASP 53 2HB ASP 53 5.606 0.203 -5.027 388 HB3 ASP 53 3HB ASP 53 6.763 1.480 -4.663 389 H VAL 54 H VAL 54 8.045 1.417 -8.661 390 HA VAL 54 HA VAL 54 9.109 3.991 -7.701 391 HB VAL 54 HB VAL 54 10.682 1.670 -8.821 392 HG11 VAL 54 1HG1 VAL 54 12.601 3.385 -8.219 393 HG12 VAL 54 2HG1 VAL 54 11.820 3.391 -9.801 394 HG13 VAL 54 3HG1 VAL 54 11.334 4.559 -8.572 395 HG21 VAL 54 3HG2 VAL 54 10.212 1.423 -6.472 396 HG22 VAL 54 1HG2 VAL 54 11.907 1.868 -6.671 397 HG23 VAL 54 2HG2 VAL 54 10.733 3.077 -6.153 398 H GLN 55 H GLN 55 9.598 5.514 -9.243 399 HA GLN 55 HA GLN 55 9.510 6.613 -11.233 400 HB2 GLN 55 2HB GLN 55 11.019 4.601 -11.836 401 HB3 GLN 55 3HB GLN 55 9.600 3.970 -12.660 402 HG2 GLN 55 2HG GLN 55 10.656 5.050 -14.372 403 HG3 GLN 55 3HG GLN 55 9.571 6.315 -13.798 404 HE21 GLN 55 1HE2 GLN 55 10.617 8.158 -14.092 405 HE22 GLN 55 2HE2 GLN 55 12.224 8.501 -13.559 406 H THR 56 H THR 56 7.113 6.275 -10.050 407 HA THR 56 HA THR 56 5.086 4.973 -11.411 408 HB THR 56 HB THR 56 4.730 6.060 -9.245 409 HG1 THR 56 HG1 THR 56 2.783 5.801 -10.113 410 HG21 THR 56 3HG2 THR 56 6.077 8.127 -9.896 411 HG22 THR 56 1HG2 THR 56 4.613 8.397 -8.950 412 HG23 THR 56 2HG2 THR 56 4.608 8.698 -10.688 413 H ALA 57 H ALA 57 3.546 5.660 -12.957 414 HA ALA 57 HA ALA 57 3.936 8.110 -14.418 415 HB1 ALA 57 1HB ALA 57 5.139 7.391 -16.140 416 HB2 ALA 57 2HB ALA 57 5.412 5.891 -15.253 417 HB3 ALA 57 3HB ALA 57 4.065 6.014 -16.384 418 HA PRO 58 HA PRO 58 -0.315 7.586 -15.366 419 HB2 PRO 58 2HB PRO 58 -0.507 8.708 -17.831 420 HB3 PRO 58 3HB PRO 58 -0.251 9.656 -16.361 421 HG2 PRO 58 2HG PRO 58 1.742 8.756 -18.406 422 HG3 PRO 58 3HG PRO 58 1.593 10.331 -17.606 423 HD2 PRO 58 2HD PRO 58 3.406 8.472 -16.838 424 HD3 PRO 58 3HD PRO 58 2.652 9.601 -15.693 425 H VAL 59 H VAL 59 0.044 5.194 -15.484 426 HA VAL 59 HA VAL 59 -0.806 4.233 -18.099 427 HB VAL 59 HB VAL 59 1.669 3.992 -18.079 428 HG11 VAL 59 1HG1 VAL 59 2.830 2.923 -16.461 429 HG12 VAL 59 2HG1 VAL 59 1.442 3.379 -15.472 430 HG13 VAL 59 3HG1 VAL 59 1.543 1.757 -16.156 431 HG21 VAL 59 3HG2 VAL 59 1.577 2.035 -19.224 432 HG22 VAL 59 1HG2 VAL 59 0.682 1.205 -17.951 433 HG23 VAL 59 2HG2 VAL 59 -0.158 2.299 -19.050 434 H ALA 60 H ALA 60 -1.945 2.274 -18.035 435 HA ALA 60 HA ALA 60 -3.318 0.687 -17.153 436 HB1 ALA 60 1HB ALA 60 -2.559 -0.598 -15.355 437 HB2 ALA 60 2HB ALA 60 -1.083 0.027 -16.091 438 HB3 ALA 60 3HB ALA 60 -1.715 0.765 -14.619 439 H GLU 61 H GLU 61 -4.402 3.108 -17.063 440 HA GLU 61 HA GLU 61 -5.187 3.912 -14.426 441 HB2 GLU 61 2HB GLU 61 -5.945 4.737 -17.206 442 HB3 GLU 61 3HB GLU 61 -6.913 5.272 -15.840 443 HG2 GLU 61 2HG GLU 61 -5.367 6.992 -16.288 444 HG3 GLU 61 3HG GLU 61 -4.804 6.179 -14.828 445 H THR 62 H THR 62 -7.646 4.226 -14.040 446 HA THR 62 HA THR 62 -9.662 3.281 -13.566 447 HB THR 62 HB THR 62 -9.384 1.429 -15.911 448 HG1 THR 62 HG1 THR 62 -10.234 3.282 -17.149 449 HG21 THR 62 3HG2 THR 62 -11.854 2.876 -15.686 450 HG22 THR 62 1HG2 THR 62 -11.455 2.127 -14.141 451 HG23 THR 62 2HG2 THR 62 -11.571 1.138 -15.596 452 H VAL 63 H VAL 63 -7.135 2.095 -12.597 453 HA VAL 63 HA VAL 63 -8.146 -0.611 -12.007 454 HB VAL 63 HB VAL 63 -5.244 0.206 -12.201 455 HG11 VAL 63 1HG1 VAL 63 -4.975 -2.343 -12.123 456 HG12 VAL 63 2HG1 VAL 63 -5.342 -1.506 -10.614 457 HG13 VAL 63 3HG1 VAL 63 -6.617 -2.362 -11.481 458 HG21 VAL 63 3HG2 VAL 63 -5.695 0.040 -14.411 459 HG22 VAL 63 1HG2 VAL 63 -5.550 -1.687 -14.084 460 HG23 VAL 63 2HG2 VAL 63 -7.143 -0.934 -14.153 461 H ASN 64 H ASN 64 -8.966 -0.468 -10.009 462 HA ASN 64 HA ASN 64 -8.095 1.335 -8.023 463 HB2 ASN 64 2HB ASN 64 -9.817 -1.133 -7.967 464 HB3 ASN 64 3HB ASN 64 -9.417 -0.267 -6.486 465 HD21 ASN 64 1HD2 ASN 64 -11.900 -0.690 -8.255 466 HD22 ASN 64 2HD2 ASN 64 -12.574 0.897 -8.367 467 H LEU 65 H LEU 65 -7.429 0.489 -5.775 468 HA LEU 65 HA LEU 65 -5.693 -1.815 -5.776 469 HB2 LEU 65 2HB LEU 65 -3.767 -0.313 -4.928 470 HB3 LEU 65 3HB LEU 65 -4.047 -0.472 -6.661 471 HG LEU 65 HG LEU 65 -3.512 1.851 -5.763 472 HD11 LEU 65 1HD1 LEU 65 -5.024 0.985 -7.888 473 HD12 LEU 65 2HD1 LEU 65 -4.421 2.624 -7.645 474 HD13 LEU 65 3HD1 LEU 65 -6.055 2.202 -7.133 475 HD21 LEU 65 3HD2 LEU 65 -5.154 3.087 -4.655 476 HD22 LEU 65 1HD2 LEU 65 -5.165 1.529 -3.830 477 HD23 LEU 65 2HD2 LEU 65 -6.417 1.908 -5.013 478 H TRP 66 H TRP 66 -8.037 -0.718 -4.330 479 HA TRP 66 HA TRP 66 -7.050 -0.118 -1.675 480 HB2 TRP 66 2HB TRP 66 -9.900 -0.667 -2.518 481 HB3 TRP 66 3HB TRP 66 -9.358 0.153 -1.057 482 HD1 TRP 66 HD1 TRP 66 -10.922 1.021 -4.130 483 HE1 TRP 66 HE1 TRP 66 -10.402 3.433 -4.863 484 HE3 TRP 66 HE3 TRP 66 -6.888 1.932 -1.125 485 HZ2 TRP 66 HZ2 TRP 66 -8.530 5.454 -4.250 486 HZ3 TRP 66 HZ3 TRP 66 -5.789 4.130 -1.260 487 HH2 TRP 66 HH2 TRP 66 -6.594 5.853 -2.791 488 H GLU 67 H GLU 67 -7.350 -1.409 0.164 489 HA GLU 67 HA GLU 67 -7.841 -4.259 -0.409 490 HB2 GLU 67 2HB GLU 67 -5.502 -3.906 0.105 491 HB3 GLU 67 3HB GLU 67 -5.919 -3.012 1.560 492 HG2 GLU 67 2HG GLU 67 -5.167 -5.288 2.047 493 HG3 GLU 67 3HG GLU 67 -6.823 -5.003 2.577 494 H VAL 68 H VAL 68 -9.988 -4.310 0.171 495 HA VAL 68 HA VAL 68 -10.544 -3.807 3.021 496 HB VAL 68 HB VAL 68 -12.889 -3.259 2.365 497 HG11 VAL 68 1HG1 VAL 68 -12.149 -1.002 1.219 498 HG12 VAL 68 2HG1 VAL 68 -11.750 -1.348 2.903 499 HG13 VAL 68 3HG1 VAL 68 -10.539 -1.583 1.642 500 HG21 VAL 68 3HG2 VAL 68 -12.060 -2.617 -0.394 501 HG22 VAL 68 1HG2 VAL 68 -12.298 -4.326 -0.032 502 HG23 VAL 68 2HG2 VAL 68 -13.613 -3.179 0.224 503 H GLU 69 H GLU 69 -9.695 -6.273 1.848 504 HA GLU 69 HA GLU 69 -12.139 -7.890 2.166 505 HB2 GLU 69 2HB GLU 69 -10.768 -7.860 -0.087 506 HB3 GLU 69 3HB GLU 69 -9.717 -8.968 0.784 507 HG2 GLU 69 2HG GLU 69 -11.201 -10.333 -0.391 508 HG3 GLU 69 3HG GLU 69 -11.800 -10.331 1.267 509 H HIS 70 H HIS 70 -12.172 -8.736 4.139 510 HA HIS 70 HA HIS 70 -9.750 -9.248 5.616 511 HB2 HIS 70 2HB HIS 70 -11.835 -8.385 6.685 512 HB3 HIS 70 3HB HIS 70 -12.600 -9.938 6.358 513 HD1 HIS 70 HD1 HIS 70 -12.266 -11.738 8.057 514 HD2 HIS 70 HD2 HIS 70 -9.605 -8.585 8.548 515 HE1 HIS 70 HE1 HIS 70 -11.061 -12.204 10.215 516 H HIS 71 H HIS 71 -8.895 -11.215 6.186 517 HA HIS 71 HA HIS 71 -10.203 -13.670 5.366 518 HB2 HIS 71 2HB HIS 71 -8.839 -12.733 3.390 519 HB3 HIS 71 3HB HIS 71 -7.419 -13.165 4.338 520 HD1 HIS 71 HD1 HIS 71 -10.620 -14.985 3.339 521 HD2 HIS 71 HD2 HIS 71 -6.516 -15.584 3.580 522 HE1 HIS 71 HE1 HIS 71 -10.235 -17.336 2.531 Start of MODEL 13 1 H1 MET 1 H MET 1 4.212 -6.495 -5.195 2 HA MET 1 HA MET 1 5.679 -4.964 -7.243 3 HB2 MET 1 2HB MET 1 4.514 -4.099 -4.609 4 HB3 MET 1 3HB MET 1 5.825 -3.201 -5.361 5 HG2 MET 1 2HG MET 1 3.951 -2.074 -6.085 6 HG3 MET 1 3HG MET 1 4.305 -3.148 -7.436 7 HE1 MET 1 3HE MET 1 1.016 -2.795 -4.570 8 HE2 MET 1 1HE MET 1 1.733 -4.320 -4.047 9 HE3 MET 1 2HE MET 1 2.725 -2.865 -4.140 10 H LYS 2 H LYS 2 6.676 -7.379 -6.371 11 HA LYS 2 HA LYS 2 8.839 -6.606 -4.527 12 HB2 LYS 2 2HB LYS 2 9.105 -9.003 -4.054 13 HB3 LYS 2 3HB LYS 2 7.482 -8.443 -3.673 14 HG2 LYS 2 2HG LYS 2 7.073 -9.278 -6.182 15 HG3 LYS 2 3HG LYS 2 8.400 -10.350 -5.729 16 HD2 LYS 2 2HD LYS 2 6.912 -10.626 -3.542 17 HD3 LYS 2 3HD LYS 2 5.628 -10.197 -4.675 18 HE2 LYS 2 2HE LYS 2 6.326 -12.019 -6.151 19 HE3 LYS 2 3HE LYS 2 7.613 -12.443 -5.023 20 HZ1 LYS 2 3HZ LYS 2 6.099 -13.208 -3.462 21 HZ2 LYS 2 1HZ LYS 2 5.432 -13.746 -4.920 22 HZ3 LYS 2 2HZ LYS 2 4.794 -12.381 -4.150 23 H THR 3 H THR 3 10.970 -7.105 -5.048 24 HA THR 3 HA THR 3 11.469 -8.134 -7.754 25 HB THR 3 HB THR 3 11.584 -5.708 -7.938 26 HG1 THR 3 HG1 THR 3 13.422 -5.781 -9.055 27 HG21 THR 3 3HG2 THR 3 12.433 -5.694 -5.365 28 HG22 THR 3 1HG2 THR 3 12.608 -4.331 -6.469 29 HG23 THR 3 2HG2 THR 3 13.957 -5.438 -6.214 30 H PHE 4 H PHE 4 13.767 -8.746 -8.086 31 HA PHE 4 HA PHE 4 14.686 -10.297 -5.858 32 HB2 PHE 4 2HB PHE 4 16.144 -9.854 -8.463 33 HB3 PHE 4 3HB PHE 4 16.293 -11.220 -7.362 34 HD1 PHE 4 HD2 PHE 4 13.581 -12.014 -6.836 35 HD2 PHE 4 HD1 PHE 4 15.322 -10.627 -10.464 36 HE1 PHE 4 HE2 PHE 4 11.871 -13.233 -8.118 37 HE2 PHE 4 HE1 PHE 4 13.614 -11.843 -11.752 38 HZ PHE 4 HZ PHE 4 11.887 -13.150 -10.579 39 H ALA 5 H ALA 5 16.776 -10.182 -4.891 40 HA ALA 5 HA ALA 5 17.963 -7.484 -4.977 41 HB1 ALA 5 1HB ALA 5 17.205 -9.212 -2.697 42 HB2 ALA 5 2HB ALA 5 18.697 -8.285 -2.542 43 HB3 ALA 5 3HB ALA 5 17.172 -7.455 -2.852 44 H LEU 6 H LEU 6 19.831 -7.604 -6.043 45 HA LEU 6 HA LEU 6 21.479 -10.009 -5.812 46 HB2 LEU 6 2HB LEU 6 21.667 -7.631 -7.654 47 HB3 LEU 6 3HB LEU 6 22.779 -8.998 -7.667 48 HG LEU 6 HG LEU 6 20.531 -10.352 -8.041 49 HD11 LEU 6 1HD1 LEU 6 18.984 -9.121 -9.463 50 HD12 LEU 6 2HD1 LEU 6 19.917 -7.645 -9.219 51 HD13 LEU 6 3HD1 LEU 6 19.081 -8.394 -7.859 52 HD21 LEU 6 3HD2 LEU 6 21.867 -8.806 -10.258 53 HD22 LEU 6 1HD2 LEU 6 21.001 -10.336 -10.399 54 HD23 LEU 6 2HD2 LEU 6 22.524 -10.264 -9.512 55 H GLN 7 H GLN 7 23.980 -9.221 -6.152 56 HA GLN 7 HA GLN 7 24.868 -8.423 -3.665 57 HB2 GLN 7 2HB GLN 7 26.118 -9.407 -5.778 58 HB3 GLN 7 3HB GLN 7 26.510 -7.715 -6.056 59 HG2 GLN 7 2HG GLN 7 28.319 -8.576 -4.854 60 HG3 GLN 7 3HG GLN 7 27.371 -7.672 -3.674 61 HE21 GLN 7 1HE2 GLN 7 27.072 -8.652 -1.817 62 HE22 GLN 7 2HE2 GLN 7 27.064 -10.359 -1.550 63 H GLY 8 H GLY 8 24.834 -6.555 -2.609 64 HA2 GLY 8 2HA GLY 8 24.858 -4.295 -2.183 65 HA3 GLY 8 3HA GLY 8 25.467 -4.062 -3.815 66 H ASP 9 H ASP 9 22.533 -5.806 -3.539 67 HA ASP 9 HA ASP 9 21.005 -3.385 -4.237 68 HB2 ASP 9 2HB ASP 9 21.019 -6.095 -5.529 69 HB3 ASP 9 3HB ASP 9 19.581 -5.081 -5.610 70 H THR 10 H THR 10 21.384 -4.819 -1.666 71 HA THR 10 HA THR 10 19.002 -6.255 -1.067 72 HB THR 10 HB THR 10 19.728 -6.325 1.167 73 HG1 THR 10 HG1 THR 10 21.051 -4.781 2.080 74 HG21 THR 10 3HG2 THR 10 21.319 -7.278 -0.647 75 HG22 THR 10 1HG2 THR 10 21.896 -7.156 1.014 76 HG23 THR 10 2HG2 THR 10 22.380 -5.950 -0.178 77 H LEU 11 H LEU 11 17.808 -5.359 1.075 78 HA LEU 11 HA LEU 11 16.023 -3.434 0.259 79 HB2 LEU 11 2HB LEU 11 16.869 -4.087 3.077 80 HB3 LEU 11 3HB LEU 11 15.419 -3.185 2.640 81 HG LEU 11 HG LEU 11 15.691 -5.873 1.443 82 HD11 LEU 11 1HD1 LEU 11 14.643 -5.868 4.201 83 HD12 LEU 11 2HD1 LEU 11 16.396 -5.784 4.027 84 HD13 LEU 11 3HD1 LEU 11 15.502 -7.125 3.311 85 HD21 LEU 11 3HD2 LEU 11 13.574 -4.030 2.397 86 HD22 LEU 11 1HD2 LEU 11 13.235 -5.760 2.451 87 HD23 LEU 11 2HD2 LEU 11 13.661 -4.993 0.921 88 H ASP 12 H ASP 12 18.955 -2.988 2.201 89 HA ASP 12 HA ASP 12 18.706 -0.297 2.804 90 HB2 ASP 12 2HB ASP 12 20.478 -1.434 3.847 91 HB3 ASP 12 3HB ASP 12 21.104 -2.046 2.319 92 H ALA 13 H ALA 13 19.702 -1.835 -0.183 93 HA ALA 13 HA ALA 13 20.462 0.692 -1.396 94 HB1 ALA 13 1HB ALA 13 21.851 -1.001 -2.138 95 HB2 ALA 13 2HB ALA 13 20.533 -2.166 -2.272 96 HB3 ALA 13 3HB ALA 13 20.687 -0.868 -3.457 97 H ILE 14 H ILE 14 18.103 -1.880 -2.152 98 HA ILE 14 HA ILE 14 16.711 -0.626 -4.161 99 HB ILE 14 HB ILE 14 15.568 -2.402 -2.001 100 HG12 ILE 14 2HG1 ILE 14 16.354 -3.188 -4.802 101 HG13 ILE 14 3HG1 ILE 14 17.502 -3.242 -3.469 102 HG21 ILE 14 1HG2 ILE 14 14.414 -1.250 -4.487 103 HG22 ILE 14 2HG2 ILE 14 13.972 -2.898 -4.044 104 HG23 ILE 14 3HG2 ILE 14 13.653 -1.571 -2.929 105 HD11 ILE 14 3HD1 ILE 14 16.520 -5.421 -3.876 106 HD12 ILE 14 1HD1 ILE 14 16.058 -4.810 -2.288 107 HD13 ILE 14 2HD1 ILE 14 14.907 -4.755 -3.623 108 H CYS 15 H CYS 15 16.046 -0.435 -0.669 109 HA CYS 15 HA CYS 15 13.825 1.212 -0.741 110 HB2 CYS 15 2HB CYS 15 16.044 0.947 1.281 111 HB3 CYS 15 3HB CYS 15 14.671 2.015 1.543 112 HG CYS 15 HG CYS 15 14.529 -1.383 1.163 113 H VAL 16 H VAL 16 17.239 2.058 -0.939 114 HA VAL 16 HA VAL 16 16.748 4.892 -0.874 115 HB VAL 16 HB VAL 16 19.245 3.382 -1.660 116 HG11 VAL 16 1HG1 VAL 16 19.665 5.445 -2.546 117 HG12 VAL 16 2HG1 VAL 16 18.602 6.275 -1.407 118 HG13 VAL 16 3HG1 VAL 16 20.195 5.722 -0.887 119 HG21 VAL 16 3HG2 VAL 16 18.715 4.790 0.943 120 HG22 VAL 16 1HG2 VAL 16 18.350 3.082 0.701 121 HG23 VAL 16 2HG2 VAL 16 20.010 3.660 0.552 122 H ARG 17 H ARG 17 16.751 2.440 -3.269 123 HA ARG 17 HA ARG 17 17.242 4.245 -5.481 124 HB2 ARG 17 2HB ARG 17 16.401 1.341 -5.428 125 HB3 ARG 17 3HB ARG 17 16.796 2.247 -6.883 126 HG2 ARG 17 2HG ARG 17 19.013 2.661 -5.354 127 HG3 ARG 17 3HG ARG 17 18.550 1.021 -4.895 128 HD2 ARG 17 2HD ARG 17 18.844 0.197 -7.028 129 HD3 ARG 17 3HD ARG 17 18.606 1.774 -7.781 130 HE ARG 17 HE ARG 17 21.076 0.671 -6.808 131 HH11 ARG 17 1HH1 ARG 17 19.345 3.596 -7.562 132 HH12 ARG 17 2HH1 ARG 17 20.779 4.535 -7.812 133 HH21 ARG 17 1HH2 ARG 17 22.972 1.897 -7.134 134 HH22 ARG 17 2HH2 ARG 17 22.841 3.568 -7.568 135 H TYR 18 H TYR 18 14.542 2.923 -3.755 136 HA TYR 18 HA TYR 18 12.687 4.006 -5.765 137 HB2 TYR 18 2HB TYR 18 12.403 1.869 -3.670 138 HB3 TYR 18 3HB TYR 18 10.983 2.658 -4.349 139 HD1 TYR 18 HD1 TYR 18 13.919 0.564 -5.161 140 HD2 TYR 18 HD2 TYR 18 10.194 2.105 -6.522 141 HE1 TYR 18 HE1 TYR 18 13.984 -0.983 -7.072 142 HE2 TYR 18 HE2 TYR 18 10.248 0.562 -8.436 143 HH TYR 18 HH TYR 18 11.325 -1.652 -8.987 144 H TYR 19 H TYR 19 12.796 3.623 -2.217 145 HA TYR 19 HA TYR 19 11.046 5.837 -1.785 146 HB2 TYR 19 2HB TYR 19 12.843 4.507 0.247 147 HB3 TYR 19 3HB TYR 19 11.375 5.427 0.559 148 HD1 TYR 19 HD2 TYR 19 9.274 4.430 -0.879 149 HD2 TYR 19 HD1 TYR 19 12.647 2.231 0.494 150 HE1 TYR 19 HE2 TYR 19 7.952 2.358 -0.970 151 HE2 TYR 19 HE1 TYR 19 11.335 0.152 0.406 152 HH TYR 19 HH TYR 19 8.262 -0.085 0.436 153 H GLY 20 H GLY 20 14.526 5.372 -1.779 154 HA2 GLY 20 2HA GLY 20 16.116 7.053 -2.154 155 HA3 GLY 20 3HA GLY 20 14.884 8.262 -1.823 156 H ARG 21 H ARG 21 14.847 5.871 0.528 157 HA ARG 21 HA ARG 21 16.969 6.812 2.188 158 HB2 ARG 21 2HB ARG 21 15.167 7.564 3.977 159 HB3 ARG 21 3HB ARG 21 15.813 8.694 2.795 160 HG2 ARG 21 2HG ARG 21 13.366 8.844 3.062 161 HG3 ARG 21 3HG ARG 21 13.863 8.451 1.415 162 HD2 ARG 21 2HD ARG 21 13.092 6.287 1.555 163 HD3 ARG 21 3HD ARG 21 13.243 6.236 3.311 164 HE ARG 21 HE ARG 21 10.944 6.980 1.833 165 HH11 ARG 21 1HH1 ARG 21 12.730 7.761 4.718 166 HH12 ARG 21 2HH1 ARG 21 11.346 8.360 5.570 167 HH21 ARG 21 1HH2 ARG 21 9.114 7.767 2.945 168 HH22 ARG 21 2HH2 ARG 21 9.289 8.363 4.560 169 H THR 22 H THR 22 16.548 5.987 4.550 170 HA THR 22 HA THR 22 15.149 3.400 4.427 171 HB THR 22 HB THR 22 17.109 2.687 6.060 172 HG1 THR 22 HG1 THR 22 19.093 3.641 5.225 173 HG21 THR 22 3HG2 THR 22 18.009 1.453 4.317 174 HG22 THR 22 1HG2 THR 22 17.819 2.764 3.153 175 HG23 THR 22 2HG2 THR 22 16.409 1.851 3.692 176 H GLU 23 H GLU 23 15.229 6.312 5.855 177 HA GLU 23 HA GLU 23 14.932 5.508 8.612 178 HB2 GLU 23 2HB GLU 23 15.918 7.704 7.907 179 HB3 GLU 23 3HB GLU 23 14.319 8.189 7.364 180 HG2 GLU 23 2HG GLU 23 13.509 8.418 9.485 181 HG3 GLU 23 3HG GLU 23 14.631 7.237 10.160 182 H GLY 24 H GLY 24 13.143 4.500 9.250 183 HA2 GLY 24 2HA GLY 24 10.877 4.387 9.806 184 HA3 GLY 24 3HA GLY 24 10.561 5.704 8.686 185 H VAL 25 H VAL 25 12.348 3.814 6.843 186 HA VAL 25 HA VAL 25 10.010 2.470 5.706 187 HB VAL 25 HB VAL 25 12.748 2.762 4.470 188 HG11 VAL 25 1HG1 VAL 25 10.464 1.274 3.741 189 HG12 VAL 25 2HG1 VAL 25 10.589 2.622 2.609 190 HG13 VAL 25 3HG1 VAL 25 11.947 1.515 2.818 191 HG21 VAL 25 3HG2 VAL 25 10.321 4.527 4.163 192 HG22 VAL 25 1HG2 VAL 25 11.855 4.971 4.910 193 HG23 VAL 25 2HG2 VAL 25 11.782 4.628 3.181 194 H VAL 26 H VAL 26 13.402 1.763 6.525 195 HA VAL 26 HA VAL 26 13.409 -0.955 5.968 196 HB VAL 26 HB VAL 26 15.286 -1.161 7.502 197 HG11 VAL 26 1HG1 VAL 26 16.685 0.755 6.620 198 HG12 VAL 26 2HG1 VAL 26 15.867 -0.232 5.407 199 HG13 VAL 26 3HG1 VAL 26 15.217 1.349 5.845 200 HG21 VAL 26 3HG2 VAL 26 14.104 1.288 8.657 201 HG22 VAL 26 1HG2 VAL 26 14.960 -0.041 9.440 202 HG23 VAL 26 2HG2 VAL 26 15.865 1.219 8.601 203 H GLU 27 H GLU 27 12.134 0.765 8.733 204 HA GLU 27 HA GLU 27 11.815 -1.506 10.417 205 HB2 GLU 27 2HB GLU 27 10.546 1.232 10.428 206 HB3 GLU 27 3HB GLU 27 10.204 0.015 11.650 207 HG2 GLU 27 2HG GLU 27 12.540 -0.020 12.304 208 HG3 GLU 27 3HG GLU 27 12.924 1.152 11.044 209 H THR 28 H THR 28 9.976 -0.142 7.821 210 HA THR 28 HA THR 28 7.519 -1.489 8.483 211 HB THR 28 HB THR 28 8.243 -0.296 5.808 212 HG1 THR 28 HG1 THR 28 6.991 1.044 7.986 213 HG21 THR 28 3HG2 THR 28 6.223 -1.228 5.391 214 HG22 THR 28 1HG2 THR 28 5.623 0.215 6.208 215 HG23 THR 28 2HG2 THR 28 5.785 -1.299 7.097 216 H VAL 29 H VAL 29 9.701 -1.763 5.668 217 HA VAL 29 HA VAL 29 8.680 -4.094 4.605 218 HB VAL 29 HB VAL 29 11.604 -3.340 4.616 219 HG11 VAL 29 1HG1 VAL 29 9.940 -5.245 3.043 220 HG12 VAL 29 2HG1 VAL 29 11.290 -4.434 2.248 221 HG13 VAL 29 3HG1 VAL 29 11.576 -5.431 3.675 222 HG21 VAL 29 3HG2 VAL 29 11.036 -1.513 3.484 223 HG22 VAL 29 1HG2 VAL 29 10.397 -2.553 2.211 224 HG23 VAL 29 2HG2 VAL 29 9.335 -1.979 3.497 225 H LEU 30 H LEU 30 11.080 -3.706 7.167 226 HA LEU 30 HA LEU 30 11.900 -6.355 7.418 227 HB2 LEU 30 2HB LEU 30 11.774 -4.017 9.253 228 HB3 LEU 30 3HB LEU 30 12.110 -5.604 9.942 229 HG LEU 30 HG LEU 30 13.744 -4.242 7.800 230 HD11 LEU 30 1HD1 LEU 30 14.346 -3.034 9.633 231 HD12 LEU 30 2HD1 LEU 30 15.418 -4.418 9.842 232 HD13 LEU 30 3HD1 LEU 30 13.917 -4.319 10.762 233 HD21 LEU 30 3HD2 LEU 30 15.372 -6.081 8.432 234 HD22 LEU 30 1HD2 LEU 30 13.962 -6.569 7.491 235 HD23 LEU 30 2HD2 LEU 30 14.013 -6.875 9.228 236 H ALA 31 H ALA 31 9.139 -4.682 8.867 237 HA ALA 31 HA ALA 31 8.282 -6.931 10.406 238 HB1 ALA 31 1HB ALA 31 7.657 -4.232 10.328 239 HB2 ALA 31 2HB ALA 31 6.179 -5.035 9.798 240 HB3 ALA 31 3HB ALA 31 6.904 -5.458 11.349 241 H ALA 32 H ALA 32 7.824 -5.891 7.142 242 HA ALA 32 HA ALA 32 5.479 -7.515 6.686 243 HB1 ALA 32 1HB ALA 32 7.086 -5.600 5.121 244 HB2 ALA 32 2HB ALA 32 6.289 -6.879 4.204 245 HB3 ALA 32 3HB ALA 32 5.337 -5.801 5.224 246 H ASN 33 H ASN 33 8.929 -7.824 6.373 247 HA ASN 33 HA ASN 33 8.547 -10.525 5.258 248 HB2 ASN 33 2HB ASN 33 10.828 -8.603 4.743 249 HB3 ASN 33 3HB ASN 33 10.779 -10.274 4.188 250 HD21 ASN 33 1HD2 ASN 33 9.669 -7.064 3.687 251 HD22 ASN 33 2HD2 ASN 33 8.805 -7.357 2.220 252 HA PRO 34 HA PRO 34 10.570 -10.818 9.429 253 HB2 PRO 34 2HB PRO 34 9.018 -12.869 10.295 254 HB3 PRO 34 3HB PRO 34 8.551 -11.173 10.465 255 HG2 PRO 34 2HG PRO 34 7.699 -13.175 8.409 256 HG3 PRO 34 3HG PRO 34 6.720 -11.981 9.281 257 HD2 PRO 34 2HD PRO 34 7.574 -11.591 6.741 258 HD3 PRO 34 3HD PRO 34 7.361 -10.256 7.893 259 H GLY 35 H GLY 35 12.381 -11.982 9.570 260 HA2 GLY 35 2HA GLY 35 13.375 -14.208 9.718 261 HA3 GLY 35 3HA GLY 35 12.428 -14.650 8.305 262 H LEU 36 H LEU 36 13.129 -11.857 7.228 263 HA LEU 36 HA LEU 36 15.409 -12.724 5.722 264 HB2 LEU 36 2HB LEU 36 13.397 -11.210 5.028 265 HB3 LEU 36 3HB LEU 36 14.393 -9.915 5.688 266 HG LEU 36 HG LEU 36 14.610 -10.094 3.257 267 HD11 LEU 36 1HD1 LEU 36 16.807 -9.587 3.283 268 HD12 LEU 36 2HD1 LEU 36 17.250 -11.055 4.155 269 HD13 LEU 36 3HD1 LEU 36 16.583 -9.677 5.030 270 HD21 LEU 36 3HD2 LEU 36 14.647 -12.080 2.271 271 HD22 LEU 36 1HD2 LEU 36 14.750 -12.884 3.838 272 HD23 LEU 36 2HD2 LEU 36 16.223 -12.397 2.999 273 H ALA 37 H ALA 37 14.806 -10.297 8.222 274 HA ALA 37 HA ALA 37 17.308 -9.051 8.203 275 HB1 ALA 37 1HB ALA 37 16.283 -9.201 10.877 276 HB2 ALA 37 2HB ALA 37 16.356 -7.818 9.783 277 HB3 ALA 37 3HB ALA 37 14.967 -8.904 9.741 278 H GLU 38 H GLU 38 16.320 -12.135 9.426 279 HA GLU 38 HA GLU 38 18.414 -12.541 11.288 280 HB2 GLU 38 2HB GLU 38 16.963 -14.680 9.728 281 HB3 GLU 38 3HB GLU 38 17.762 -14.850 11.284 282 HG2 GLU 38 2HG GLU 38 15.225 -13.365 10.672 283 HG3 GLU 38 3HG GLU 38 15.430 -14.792 11.686 284 H LEU 39 H LEU 39 18.232 -12.750 7.841 285 HA LEU 39 HA LEU 39 20.254 -14.524 7.217 286 HB2 LEU 39 2HB LEU 39 18.674 -13.136 5.705 287 HB3 LEU 39 3HB LEU 39 19.965 -11.936 5.739 288 HG LEU 39 HG LEU 39 20.035 -13.331 3.722 289 HD11 LEU 39 1HD1 LEU 39 22.439 -14.258 5.140 290 HD12 LEU 39 2HD1 LEU 39 22.118 -12.527 5.238 291 HD13 LEU 39 3HD1 LEU 39 22.283 -13.305 3.664 292 HD21 LEU 39 3HD2 LEU 39 19.135 -15.373 5.001 293 HD22 LEU 39 1HD2 LEU 39 20.818 -15.656 5.444 294 HD23 LEU 39 2HD2 LEU 39 20.346 -15.640 3.745 295 H GLY 40 H GLY 40 20.573 -11.008 7.742 296 HA2 GLY 40 2HA GLY 40 22.695 -10.799 9.323 297 HA3 GLY 40 3HA GLY 40 23.476 -11.278 7.823 298 H ALA 41 H ALA 41 24.287 -9.631 6.732 299 HA ALA 41 HA ALA 41 23.020 -6.991 7.016 300 HB1 ALA 41 1HB ALA 41 25.442 -6.524 5.825 301 HB2 ALA 41 2HB ALA 41 25.109 -6.404 7.553 302 HB3 ALA 41 3HB ALA 41 25.794 -7.886 6.889 303 H VAL 42 H VAL 42 24.192 -9.352 4.691 304 HA VAL 42 HA VAL 42 22.823 -7.838 2.566 305 HB VAL 42 HB VAL 42 25.383 -7.839 2.445 306 HG11 VAL 42 1HG1 VAL 42 25.522 -10.292 3.033 307 HG12 VAL 42 2HG1 VAL 42 24.972 -10.627 1.390 308 HG13 VAL 42 3HG1 VAL 42 26.493 -9.773 1.655 309 HG21 VAL 42 3HG2 VAL 42 24.070 -7.149 0.568 310 HG22 VAL 42 1HG2 VAL 42 25.336 -8.224 -0.024 311 HG23 VAL 42 2HG2 VAL 42 23.686 -8.820 0.154 312 H LEU 43 H LEU 43 21.855 -9.084 0.903 313 HA LEU 43 HA LEU 43 21.296 -11.863 1.701 314 HB2 LEU 43 2HB LEU 43 19.329 -11.202 -0.080 315 HB3 LEU 43 3HB LEU 43 19.181 -11.167 1.676 316 HG LEU 43 HG LEU 43 20.130 -8.736 0.212 317 HD11 LEU 43 1HD1 LEU 43 17.966 -9.717 -0.792 318 HD12 LEU 43 2HD1 LEU 43 17.990 -8.018 -0.321 319 HD13 LEU 43 3HD1 LEU 43 17.219 -9.212 0.723 320 HD21 LEU 43 3HD2 LEU 43 18.839 -9.369 2.838 321 HD22 LEU 43 1HD2 LEU 43 18.726 -7.749 2.149 322 HD23 LEU 43 2HD2 LEU 43 20.306 -8.447 2.505 323 HA PRO 44 HA PRO 44 22.964 -13.408 -2.052 324 HB2 PRO 44 2HB PRO 44 21.280 -15.466 -2.601 325 HB3 PRO 44 3HB PRO 44 22.458 -15.514 -1.284 326 HG2 PRO 44 2HG PRO 44 19.526 -14.915 -1.183 327 HG3 PRO 44 3HG PRO 44 20.502 -15.918 -0.094 328 HD2 PRO 44 2HD PRO 44 19.774 -13.384 0.521 329 HD3 PRO 44 3HD PRO 44 21.305 -14.097 1.069 330 H HIS 45 H HIS 45 22.526 -13.799 -4.341 331 HA HIS 45 HA HIS 45 20.761 -11.821 -5.421 332 HB2 HIS 45 2HB HIS 45 21.627 -12.514 -7.591 333 HB3 HIS 45 3HB HIS 45 22.950 -12.332 -6.443 334 HD1 HIS 45 HD1 HIS 45 24.268 -14.436 -5.812 335 HD2 HIS 45 HD2 HIS 45 21.117 -15.160 -8.421 336 HE1 HIS 45 HE1 HIS 45 24.609 -16.785 -6.642 337 H GLY 46 H GLY 46 18.749 -12.049 -6.183 338 HA2 GLY 46 2HA GLY 46 17.131 -13.360 -7.443 339 HA3 GLY 46 3HA GLY 46 17.739 -14.788 -6.620 340 H THR 47 H THR 47 17.833 -13.100 -4.080 341 HA THR 47 HA THR 47 15.458 -13.997 -2.934 342 HB THR 47 HB THR 47 17.218 -11.712 -2.024 343 HG1 THR 47 HG1 THR 47 18.360 -13.243 -0.979 344 HG21 THR 47 3HG2 THR 47 15.743 -11.370 -0.392 345 HG22 THR 47 1HG2 THR 47 15.977 -13.033 0.145 346 HG23 THR 47 2HG2 THR 47 14.710 -12.653 -1.022 347 H ALA 48 H ALA 48 13.463 -13.398 -3.455 348 HA ALA 48 HA ALA 48 12.925 -10.760 -4.528 349 HB1 ALA 48 1HB ALA 48 10.496 -11.821 -4.429 350 HB2 ALA 48 2HB ALA 48 11.650 -12.238 -5.697 351 HB3 ALA 48 3HB ALA 48 11.430 -13.313 -4.317 352 H VAL 49 H VAL 49 12.536 -9.090 -3.244 353 HA VAL 49 HA VAL 49 11.315 -9.581 -0.608 354 HB VAL 49 HB VAL 49 12.872 -7.134 -1.442 355 HG11 VAL 49 1HG1 VAL 49 11.899 -6.344 0.414 356 HG12 VAL 49 2HG1 VAL 49 11.409 -7.951 0.955 357 HG13 VAL 49 3HG1 VAL 49 13.045 -7.373 1.274 358 HG21 VAL 49 3HG2 VAL 49 14.688 -8.126 -0.003 359 HG22 VAL 49 1HG2 VAL 49 13.793 -9.645 -0.061 360 HG23 VAL 49 2HG2 VAL 49 14.419 -8.933 -1.548 361 H GLU 50 H GLU 50 9.586 -8.338 0.081 362 HA GLU 50 HA GLU 50 7.983 -7.193 -2.044 363 HB2 GLU 50 2HB GLU 50 6.816 -8.615 -0.521 364 HB3 GLU 50 3HB GLU 50 7.445 -7.746 0.872 365 HG2 GLU 50 2HG GLU 50 6.103 -5.840 0.383 366 HG3 GLU 50 3HG GLU 50 5.613 -6.516 -1.169 367 H LEU 51 H LEU 51 7.198 -5.079 -2.102 368 HA LEU 51 HA LEU 51 8.654 -3.164 -0.400 369 HB2 LEU 51 2HB LEU 51 7.855 -2.957 -3.294 370 HB3 LEU 51 3HB LEU 51 8.396 -1.578 -2.339 371 HG LEU 51 HG LEU 51 10.071 -4.036 -2.829 372 HD11 LEU 51 1HD1 LEU 51 10.487 -3.299 -4.875 373 HD12 LEU 51 2HD1 LEU 51 11.091 -1.789 -4.195 374 HD13 LEU 51 3HD1 LEU 51 9.390 -1.939 -4.635 375 HD21 LEU 51 3HD2 LEU 51 10.976 -1.294 -2.005 376 HD22 LEU 51 1HD2 LEU 51 11.852 -2.822 -1.911 377 HD23 LEU 51 2HD2 LEU 51 10.497 -2.515 -0.824 378 HA PRO 52 HA PRO 52 4.268 -2.482 0.637 379 HB2 PRO 52 2HB PRO 52 4.798 -1.487 3.107 380 HB3 PRO 52 3HB PRO 52 4.711 -3.220 2.768 381 HG2 PRO 52 2HG PRO 52 7.118 -1.457 3.018 382 HG3 PRO 52 3HG PRO 52 6.854 -3.088 3.660 383 HD2 PRO 52 2HD PRO 52 8.290 -2.622 1.412 384 HD3 PRO 52 3HD PRO 52 7.327 -4.096 1.642 385 H ASP 53 H ASP 53 3.063 -0.567 0.907 386 HA ASP 53 HA ASP 53 2.556 1.632 0.619 387 HB2 ASP 53 2HB ASP 53 4.267 1.735 2.581 388 HB3 ASP 53 3HB ASP 53 5.363 2.389 1.367 389 H VAL 54 H VAL 54 3.488 0.136 -1.604 390 HA VAL 54 HA VAL 54 4.696 2.294 -3.208 391 HB VAL 54 HB VAL 54 5.180 -0.670 -3.539 392 HG11 VAL 54 1HG1 VAL 54 5.126 0.392 -5.693 393 HG12 VAL 54 2HG1 VAL 54 6.169 1.697 -5.124 394 HG13 VAL 54 3HG1 VAL 54 6.805 0.058 -5.272 395 HG21 VAL 54 3HG2 VAL 54 7.580 0.089 -3.086 396 HG22 VAL 54 1HG2 VAL 54 6.859 1.567 -2.448 397 HG23 VAL 54 2HG2 VAL 54 6.480 0.011 -1.710 398 H GLN 55 H GLN 55 3.878 2.616 -5.259 399 HA GLN 55 HA GLN 55 1.519 1.009 -5.985 400 HB2 GLN 55 2HB GLN 55 0.458 3.038 -6.851 401 HB3 GLN 55 3HB GLN 55 0.811 3.191 -5.135 402 HG2 GLN 55 2HG GLN 55 2.981 4.350 -5.935 403 HG3 GLN 55 3HG GLN 55 2.115 4.538 -7.458 404 HE21 GLN 55 1HE2 GLN 55 1.043 6.357 -7.671 405 HE22 GLN 55 2HE2 GLN 55 0.412 7.329 -6.390 406 H THR 56 H THR 56 1.477 0.232 -8.003 407 HA THR 56 HA THR 56 3.694 0.170 -9.644 408 HB THR 56 HB THR 56 2.163 -0.573 -11.462 409 HG1 THR 56 HG1 THR 56 0.041 -0.350 -9.606 410 HG21 THR 56 3HG2 THR 56 2.129 -1.733 -8.722 411 HG22 THR 56 1HG2 THR 56 2.782 -2.395 -10.220 412 HG23 THR 56 2HG2 THR 56 1.043 -2.422 -9.929 413 H ALA 57 H ALA 57 3.876 0.999 -11.901 414 HA ALA 57 HA ALA 57 2.986 3.806 -12.028 415 HB1 ALA 57 1HB ALA 57 5.567 2.842 -12.024 416 HB2 ALA 57 2HB ALA 57 5.245 3.143 -13.732 417 HB3 ALA 57 3HB ALA 57 5.056 4.444 -12.557 418 HA PRO 58 HA PRO 58 0.932 3.103 -15.841 419 HB2 PRO 58 2HB PRO 58 1.518 5.352 -17.244 420 HB3 PRO 58 3HB PRO 58 0.413 5.341 -15.865 421 HG2 PRO 58 2HG PRO 58 3.295 6.142 -15.976 422 HG3 PRO 58 3HG PRO 58 1.944 6.935 -15.144 423 HD2 PRO 58 2HD PRO 58 3.722 5.352 -13.854 424 HD3 PRO 58 3HD PRO 58 2.021 5.476 -13.361 425 H VAL 59 H VAL 59 2.419 1.303 -16.367 426 HA VAL 59 HA VAL 59 4.311 2.000 -18.515 427 HB VAL 59 HB VAL 59 5.333 0.850 -16.585 428 HG11 VAL 59 1HG1 VAL 59 3.033 -0.611 -16.491 429 HG12 VAL 59 2HG1 VAL 59 4.159 -1.758 -17.220 430 HG13 VAL 59 3HG1 VAL 59 4.530 -1.028 -15.657 431 HG21 VAL 59 3HG2 VAL 59 6.641 -0.649 -17.843 432 HG22 VAL 59 1HG2 VAL 59 5.310 -1.014 -18.942 433 HG23 VAL 59 2HG2 VAL 59 6.092 0.565 -18.998 434 H ALA 60 H ALA 60 4.270 0.856 -20.451 435 HA ALA 60 HA ALA 60 1.687 -0.207 -21.175 436 HB1 ALA 60 1HB ALA 60 4.151 -0.036 -22.898 437 HB2 ALA 60 2HB ALA 60 2.473 -0.173 -23.425 438 HB3 ALA 60 3HB ALA 60 3.035 1.306 -22.646 439 H GLU 61 H GLU 61 1.631 -2.120 -19.897 440 HA GLU 61 HA GLU 61 2.904 -4.375 -21.215 441 HB2 GLU 61 2HB GLU 61 3.528 -3.496 -18.439 442 HB3 GLU 61 3HB GLU 61 3.379 -5.223 -18.735 443 HG2 GLU 61 2HG GLU 61 5.063 -4.988 -20.553 444 HG3 GLU 61 3HG GLU 61 5.285 -3.310 -20.059 445 H THR 62 H THR 62 2.086 -6.482 -20.239 446 HA THR 62 HA THR 62 -0.780 -6.164 -19.667 447 HB THR 62 HB THR 62 -0.421 -7.441 -21.663 448 HG1 THR 62 HG1 THR 62 -2.056 -8.272 -20.321 449 HG21 THR 62 3HG2 THR 62 0.891 -9.545 -21.635 450 HG22 THR 62 1HG2 THR 62 1.419 -9.162 -19.997 451 HG23 THR 62 2HG2 THR 62 1.881 -8.116 -21.339 452 H VAL 63 H VAL 63 -1.718 -7.072 -17.898 453 HA VAL 63 HA VAL 63 -0.564 -9.095 -16.304 454 HB VAL 63 HB VAL 63 1.022 -7.353 -15.659 455 HG11 VAL 63 1HG1 VAL 63 0.418 -5.229 -15.434 456 HG12 VAL 63 2HG1 VAL 63 -1.255 -5.684 -15.765 457 HG13 VAL 63 3HG1 VAL 63 -0.661 -5.653 -14.105 458 HG21 VAL 63 3HG2 VAL 63 -0.162 -9.053 -14.009 459 HG22 VAL 63 1HG2 VAL 63 1.007 -7.863 -13.435 460 HG23 VAL 63 2HG2 VAL 63 -0.722 -7.557 -13.261 461 H ASN 64 H ASN 64 -1.975 -9.842 -14.743 462 HA ASN 64 HA ASN 64 -4.687 -8.882 -14.968 463 HB2 ASN 64 2HB ASN 64 -3.370 -11.232 -13.647 464 HB3 ASN 64 3HB ASN 64 -5.025 -10.802 -13.224 465 HD21 ASN 64 1HD2 ASN 64 -3.639 -13.045 -14.780 466 HD22 ASN 64 2HD2 ASN 64 -4.592 -13.184 -16.214 467 H LEU 65 H LEU 65 -5.594 -7.428 -13.681 468 HA LEU 65 HA LEU 65 -5.104 -7.347 -10.864 469 HB2 LEU 65 2HB LEU 65 -3.167 -6.087 -12.018 470 HB3 LEU 65 3HB LEU 65 -4.371 -4.837 -12.327 471 HG LEU 65 HG LEU 65 -3.986 -5.802 -9.532 472 HD11 LEU 65 1HD1 LEU 65 -2.185 -3.804 -10.892 473 HD12 LEU 65 2HD1 LEU 65 -1.714 -5.421 -10.371 474 HD13 LEU 65 3HD1 LEU 65 -2.188 -4.213 -9.177 475 HD21 LEU 65 3HD2 LEU 65 -4.662 -3.571 -8.984 476 HD22 LEU 65 1HD2 LEU 65 -5.783 -4.208 -10.187 477 HD23 LEU 65 2HD2 LEU 65 -4.530 -3.064 -10.669 478 H TRP 66 H TRP 66 -7.038 -6.966 -10.034 479 HA TRP 66 HA TRP 66 -9.026 -5.526 -11.612 480 HB2 TRP 66 2HB TRP 66 -9.413 -6.952 -8.974 481 HB3 TRP 66 3HB TRP 66 -10.666 -6.431 -10.098 482 HD1 TRP 66 HD1 TRP 66 -10.171 -7.659 -12.728 483 HE1 TRP 66 HE1 TRP 66 -9.855 -10.182 -13.127 484 HE3 TRP 66 HE3 TRP 66 -8.803 -9.061 -8.006 485 HZ2 TRP 66 HZ2 TRP 66 -9.124 -12.465 -11.637 486 HZ3 TRP 66 HZ3 TRP 66 -8.313 -11.434 -7.576 487 HH2 TRP 66 HH2 TRP 66 -8.471 -13.099 -9.355 488 H GLU 67 H GLU 67 -10.259 -3.793 -10.754 489 HA GLU 67 HA GLU 67 -9.623 -2.595 -8.242 490 HB2 GLU 67 2HB GLU 67 -8.706 -0.479 -9.179 491 HB3 GLU 67 3HB GLU 67 -7.635 -1.859 -9.382 492 HG2 GLU 67 2HG GLU 67 -8.556 -2.088 -11.712 493 HG3 GLU 67 3HG GLU 67 -9.345 -0.531 -11.464 494 H VAL 68 H VAL 68 -11.545 -1.900 -7.609 495 HA VAL 68 HA VAL 68 -13.228 -0.445 -9.536 496 HB VAL 68 HB VAL 68 -15.225 -1.450 -8.337 497 HG11 VAL 68 1HG1 VAL 68 -15.413 -3.075 -9.930 498 HG12 VAL 68 2HG1 VAL 68 -14.054 -2.167 -10.597 499 HG13 VAL 68 3HG1 VAL 68 -13.764 -3.654 -9.693 500 HG21 VAL 68 3HG2 VAL 68 -13.401 -2.418 -6.586 501 HG22 VAL 68 1HG2 VAL 68 -15.018 -3.086 -6.804 502 HG23 VAL 68 2HG2 VAL 68 -13.642 -3.824 -7.623 503 H GLU 69 H GLU 69 -12.007 1.311 -8.342 504 HA GLU 69 HA GLU 69 -13.758 2.485 -6.421 505 HB2 GLU 69 2HB GLU 69 -12.037 2.710 -4.617 506 HB3 GLU 69 3HB GLU 69 -12.637 1.073 -4.844 507 HG2 GLU 69 2HG GLU 69 -10.645 0.451 -6.034 508 HG3 GLU 69 3HG GLU 69 -10.057 2.112 -5.989 509 H HIS 70 H HIS 70 -13.521 4.674 -6.343 510 HA HIS 70 HA HIS 70 -11.449 5.803 -8.085 511 HB2 HIS 70 2HB HIS 70 -14.120 6.848 -7.149 512 HB3 HIS 70 3HB HIS 70 -12.938 7.873 -7.957 513 HD1 HIS 70 HD1 HIS 70 -14.232 8.251 -10.095 514 HD2 HIS 70 HD2 HIS 70 -13.747 4.227 -9.183 515 HE1 HIS 70 HE1 HIS 70 -15.006 7.001 -12.135 516 H HIS 71 H HIS 71 -10.564 7.947 -7.446 517 HA HIS 71 HA HIS 71 -9.196 7.839 -5.051 518 HB2 HIS 71 2HB HIS 71 -9.914 10.210 -6.776 519 HB3 HIS 71 3HB HIS 71 -8.827 10.323 -5.394 520 HD1 HIS 71 HD1 HIS 71 -6.521 10.461 -6.256 521 HD2 HIS 71 HD2 HIS 71 -8.811 7.755 -8.421 522 HE1 HIS 71 HE1 HIS 71 -4.952 9.451 -7.941 Start of MODEL 14 1 H1 MET 1 H MET 1 8.715 -3.319 -8.781 2 HA MET 1 HA MET 1 10.943 -1.896 -10.084 3 HB2 MET 1 2HB MET 1 8.978 -0.525 -9.077 4 HB3 MET 1 3HB MET 1 9.691 -0.947 -7.526 5 HG2 MET 1 2HG MET 1 10.735 1.029 -7.879 6 HG3 MET 1 3HG MET 1 11.879 -0.039 -8.687 7 HE1 MET 1 3HE MET 1 12.984 1.390 -10.703 8 HE2 MET 1 1HE MET 1 12.329 -0.216 -11.026 9 HE3 MET 1 2HE MET 1 12.042 1.098 -12.166 10 H LYS 2 H LYS 2 11.878 -4.133 -9.575 11 HA LYS 2 HA LYS 2 12.956 -4.133 -6.832 12 HB2 LYS 2 2HB LYS 2 13.109 -6.511 -6.910 13 HB3 LYS 2 3HB LYS 2 11.492 -6.085 -7.456 14 HG2 LYS 2 2HG LYS 2 12.499 -6.227 -9.826 15 HG3 LYS 2 3HG LYS 2 13.807 -7.116 -9.043 16 HD2 LYS 2 2HD LYS 2 12.231 -8.750 -8.195 17 HD3 LYS 2 3HD LYS 2 10.881 -7.833 -8.865 18 HE2 LYS 2 2HE LYS 2 11.245 -9.542 -10.419 19 HE3 LYS 2 3HE LYS 2 12.038 -8.135 -11.127 20 HZ1 LYS 2 3HZ LYS 2 14.153 -8.955 -10.284 21 HZ2 LYS 2 1HZ LYS 2 13.426 -10.097 -11.298 22 HZ3 LYS 2 2HZ LYS 2 13.388 -10.310 -9.621 23 H THR 3 H THR 3 15.158 -4.674 -6.548 24 HA THR 3 HA THR 3 16.823 -4.764 -8.954 25 HB THR 3 HB THR 3 16.687 -2.383 -8.285 26 HG1 THR 3 HG1 THR 3 18.725 -2.215 -8.850 27 HG21 THR 3 3HG2 THR 3 17.031 -1.636 -6.189 28 HG22 THR 3 1HG2 THR 3 18.365 -2.752 -5.904 29 HG23 THR 3 2HG2 THR 3 16.700 -3.303 -5.718 30 H PHE 4 H PHE 4 19.053 -5.410 -8.507 31 HA PHE 4 HA PHE 4 19.135 -7.521 -6.568 32 HB2 PHE 4 2HB PHE 4 21.454 -6.491 -8.202 33 HB3 PHE 4 3HB PHE 4 21.246 -8.100 -7.517 34 HD1 PHE 4 HD1 PHE 4 18.882 -9.197 -8.323 35 HD2 PHE 4 HD2 PHE 4 21.223 -6.363 -10.470 36 HE1 PHE 4 HE1 PHE 4 17.872 -9.965 -10.431 37 HE2 PHE 4 HE2 PHE 4 20.216 -7.126 -12.581 38 HZ PHE 4 HZ PHE 4 18.538 -8.929 -12.564 39 H ALA 5 H ALA 5 19.845 -7.424 -4.544 40 HA ALA 5 HA ALA 5 20.865 -4.956 -3.479 41 HB1 ALA 5 1HB ALA 5 20.817 -6.108 -1.324 42 HB2 ALA 5 2HB ALA 5 19.295 -6.309 -2.194 43 HB3 ALA 5 3HB ALA 5 20.463 -7.630 -2.143 44 H LEU 6 H LEU 6 22.915 -4.462 -4.006 45 HA LEU 6 HA LEU 6 24.964 -6.554 -3.858 46 HB2 LEU 6 2HB LEU 6 25.460 -3.769 -4.826 47 HB3 LEU 6 3HB LEU 6 26.298 -5.261 -5.250 48 HG LEU 6 HG LEU 6 23.566 -4.389 -6.187 49 HD11 LEU 6 1HD1 LEU 6 25.871 -5.014 -7.965 50 HD12 LEU 6 2HD1 LEU 6 25.824 -3.455 -7.143 51 HD13 LEU 6 3HD1 LEU 6 24.509 -3.924 -8.221 52 HD21 LEU 6 3HD2 LEU 6 24.115 -6.517 -7.702 53 HD22 LEU 6 1HD2 LEU 6 23.217 -6.630 -6.188 54 HD23 LEU 6 2HD2 LEU 6 24.938 -7.012 -6.223 55 H GLN 7 H GLN 7 27.218 -5.312 -3.269 56 HA GLN 7 HA GLN 7 27.252 -5.057 -0.522 57 HB2 GLN 7 2HB GLN 7 29.479 -4.039 -0.787 58 HB3 GLN 7 3HB GLN 7 29.273 -5.450 -1.815 59 HG2 GLN 7 2HG GLN 7 28.621 -3.749 -3.637 60 HG3 GLN 7 3HG GLN 7 29.385 -2.564 -2.580 61 HE21 GLN 7 1HE2 GLN 7 30.979 -2.160 -4.130 62 HE22 GLN 7 2HE2 GLN 7 32.272 -3.270 -4.415 63 H GLY 8 H GLY 8 26.413 -3.586 0.792 64 HA2 GLY 8 2HA GLY 8 25.817 -1.542 1.665 65 HA3 GLY 8 3HA GLY 8 26.799 -0.790 0.417 66 H ASP 9 H ASP 9 24.297 -2.981 -0.527 67 HA ASP 9 HA ASP 9 22.585 -0.703 -1.273 68 HB2 ASP 9 2HB ASP 9 23.562 -2.992 -2.933 69 HB3 ASP 9 3HB ASP 9 21.970 -2.315 -3.265 70 H THR 10 H THR 10 22.527 -2.618 1.005 71 HA THR 10 HA THR 10 20.394 -4.454 0.579 72 HB THR 10 HB THR 10 20.440 -4.874 2.919 73 HG1 THR 10 HG1 THR 10 21.506 -3.434 4.359 74 HG21 THR 10 3HG2 THR 10 22.859 -5.148 3.385 75 HG22 THR 10 1HG2 THR 10 23.216 -4.151 1.975 76 HG23 THR 10 2HG2 THR 10 22.404 -5.704 1.774 77 H LEU 11 H LEU 11 18.491 -4.256 2.321 78 HA LEU 11 HA LEU 11 16.688 -2.406 1.377 79 HB2 LEU 11 2HB LEU 11 16.663 -3.435 4.202 80 HB3 LEU 11 3HB LEU 11 15.285 -2.966 3.209 81 HG LEU 11 HG LEU 11 16.484 -5.031 1.789 82 HD11 LEU 11 1HD1 LEU 11 17.566 -5.273 4.258 83 HD12 LEU 11 2HD1 LEU 11 17.269 -6.623 3.164 84 HD13 LEU 11 3HD1 LEU 11 16.107 -6.247 4.435 85 HD21 LEU 11 3HD2 LEU 11 14.274 -5.622 3.685 86 HD22 LEU 11 1HD2 LEU 11 14.430 -6.006 1.971 87 HD23 LEU 11 2HD2 LEU 11 14.019 -4.366 2.472 88 H ASP 12 H ASP 12 18.755 -2.144 4.250 89 HA ASP 12 HA ASP 12 17.832 0.286 5.226 90 HB2 ASP 12 2HB ASP 12 20.543 -1.024 5.326 91 HB3 ASP 12 3HB ASP 12 20.234 0.524 6.109 92 H ALA 13 H ALA 13 19.951 -0.400 2.539 93 HA ALA 13 HA ALA 13 20.691 2.388 2.205 94 HB1 ALA 13 1HB ALA 13 22.200 0.367 1.739 95 HB2 ALA 13 2HB ALA 13 21.281 0.199 0.242 96 HB3 ALA 13 3HB ALA 13 22.186 1.679 0.560 97 H ILE 14 H ILE 14 19.085 -0.068 0.170 98 HA ILE 14 HA ILE 14 18.223 1.573 -1.868 99 HB ILE 14 HB ILE 14 16.782 -0.811 -0.700 100 HG12 ILE 14 2HG1 ILE 14 18.519 -0.699 -3.165 101 HG13 ILE 14 3HG1 ILE 14 19.165 -1.085 -1.574 102 HG21 ILE 14 1HG2 ILE 14 16.406 0.611 -3.331 103 HG22 ILE 14 2HG2 ILE 14 15.707 -0.957 -2.931 104 HG23 ILE 14 3HG2 ILE 14 15.237 0.476 -2.018 105 HD11 ILE 14 3HD1 ILE 14 17.056 -2.622 -3.069 106 HD12 ILE 14 1HD1 ILE 14 18.733 -3.103 -2.815 107 HD13 ILE 14 2HD1 ILE 14 17.628 -2.997 -1.444 108 H CYS 15 H CYS 15 16.576 0.851 1.193 109 HA CYS 15 HA CYS 15 14.217 2.261 0.714 110 HB2 CYS 15 2HB CYS 15 15.697 1.586 3.249 111 HB3 CYS 15 3HB CYS 15 14.177 2.472 3.276 112 HG CYS 15 HG CYS 15 14.338 -0.513 1.655 113 H VAL 16 H VAL 16 17.396 3.373 1.560 114 HA VAL 16 HA VAL 16 16.486 6.034 2.272 115 HB VAL 16 HB VAL 16 19.271 4.905 1.963 116 HG11 VAL 16 1HG1 VAL 16 18.285 7.654 2.577 117 HG12 VAL 16 2HG1 VAL 16 19.771 7.075 3.334 118 HG13 VAL 16 3HG1 VAL 16 19.643 7.143 1.575 119 HG21 VAL 16 3HG2 VAL 16 19.353 4.791 4.317 120 HG22 VAL 16 1HG2 VAL 16 17.882 5.747 4.493 121 HG23 VAL 16 2HG2 VAL 16 17.794 4.101 3.868 122 H ARG 17 H ARG 17 17.821 4.361 -0.482 123 HA ARG 17 HA ARG 17 18.347 6.809 -1.940 124 HB2 ARG 17 2HB ARG 17 19.447 5.514 -3.477 125 HB3 ARG 17 3HB ARG 17 19.574 4.467 -2.070 126 HG2 ARG 17 2HG ARG 17 17.638 3.189 -2.851 127 HG3 ARG 17 3HG ARG 17 17.530 4.234 -4.269 128 HD2 ARG 17 2HD ARG 17 18.671 2.199 -4.869 129 HD3 ARG 17 3HD ARG 17 19.817 3.539 -4.904 130 HE ARG 17 HE ARG 17 19.769 1.325 -3.013 131 HH11 ARG 17 1HH1 ARG 17 21.130 4.385 -3.964 132 HH12 ARG 17 2HH1 ARG 17 22.559 4.197 -3.003 133 HH21 ARG 17 1HH2 ARG 17 21.646 1.065 -1.743 134 HH22 ARG 17 2HH2 ARG 17 22.852 2.308 -1.740 135 H TYR 18 H TYR 18 15.680 4.855 -1.328 136 HA TYR 18 HA TYR 18 14.337 5.694 -3.808 137 HB2 TYR 18 2HB TYR 18 14.114 3.313 -2.070 138 HB3 TYR 18 3HB TYR 18 12.593 3.949 -2.686 139 HD1 TYR 18 HD2 TYR 18 15.893 2.607 -3.684 140 HD2 TYR 18 HD1 TYR 18 11.962 3.632 -4.950 141 HE1 TYR 18 HE2 TYR 18 16.290 1.461 -5.824 142 HE2 TYR 18 HE1 TYR 18 12.348 2.488 -7.093 143 HH TYR 18 HH TYR 18 14.567 0.315 -7.643 144 H TYR 19 H TYR 19 13.472 5.113 -0.394 145 HA TYR 19 HA TYR 19 11.456 7.215 -0.575 146 HB2 TYR 19 2HB TYR 19 12.010 5.496 1.835 147 HB3 TYR 19 3HB TYR 19 10.522 6.334 1.411 148 HD1 TYR 19 HD2 TYR 19 9.094 5.460 -0.425 149 HD2 TYR 19 HD1 TYR 19 12.486 3.317 0.991 150 HE1 TYR 19 HE2 TYR 19 8.244 3.417 -1.499 151 HE2 TYR 19 HE1 TYR 19 11.646 1.268 -0.080 152 HH TYR 19 HH TYR 19 8.755 0.671 -0.894 153 H GLY 20 H GLY 20 14.467 6.459 1.078 154 HA2 GLY 20 2HA GLY 20 16.007 8.103 1.793 155 HA3 GLY 20 3HA GLY 20 14.702 9.279 1.821 156 H ARG 21 H ARG 21 14.213 6.176 3.277 157 HA ARG 21 HA ARG 21 15.082 6.888 5.900 158 HB2 ARG 21 2HB ARG 21 12.924 7.106 6.974 159 HB3 ARG 21 3HB ARG 21 13.068 8.316 5.707 160 HG2 ARG 21 2HG ARG 21 11.804 5.762 4.941 161 HG3 ARG 21 3HG ARG 21 10.899 6.794 6.050 162 HD2 ARG 21 2HD ARG 21 11.727 8.609 4.217 163 HD3 ARG 21 3HD ARG 21 11.552 7.175 3.207 164 HE ARG 21 HE ARG 21 9.287 7.609 4.895 165 HH11 ARG 21 1HH1 ARG 21 10.801 8.553 1.906 166 HH12 ARG 21 2HH1 ARG 21 9.316 9.032 1.153 167 HH21 ARG 21 1HH2 ARG 21 7.325 8.238 3.915 168 HH22 ARG 21 2HH2 ARG 21 7.340 8.854 2.297 169 H THR 22 H THR 22 14.463 5.235 7.515 170 HA THR 22 HA THR 22 13.934 2.639 6.220 171 HB THR 22 HB THR 22 15.244 1.803 8.363 172 HG1 THR 22 HG1 THR 22 16.085 3.437 9.407 173 HG21 THR 22 3HG2 THR 22 16.372 1.074 6.566 174 HG22 THR 22 1HG2 THR 22 17.398 2.488 6.800 175 HG23 THR 22 2HG2 THR 22 16.056 2.552 5.658 176 H GLU 23 H GLU 23 13.241 4.765 8.885 177 HA GLU 23 HA GLU 23 11.816 2.875 10.471 178 HB2 GLU 23 2HB GLU 23 12.777 4.956 11.394 179 HB3 GLU 23 3HB GLU 23 11.623 5.892 10.455 180 HG2 GLU 23 2HG GLU 23 10.540 5.851 12.445 181 HG3 GLU 23 3HG GLU 23 9.883 4.380 11.732 182 H GLY 24 H GLY 24 10.018 1.906 9.801 183 HA2 GLY 24 2HA GLY 24 7.678 1.972 9.401 184 HA3 GLY 24 3HA GLY 24 7.871 3.570 8.694 185 H VAL 25 H VAL 25 10.286 2.359 7.208 186 HA VAL 25 HA VAL 25 8.699 1.393 4.945 187 HB VAL 25 HB VAL 25 11.614 2.175 4.958 188 HG11 VAL 25 1HG1 VAL 25 11.621 1.874 2.716 189 HG12 VAL 25 2HG1 VAL 25 10.326 0.738 3.095 190 HG13 VAL 25 3HG1 VAL 25 9.937 2.364 2.534 191 HG21 VAL 25 3HG2 VAL 25 10.555 4.244 3.741 192 HG22 VAL 25 1HG2 VAL 25 9.134 3.807 4.689 193 HG23 VAL 25 2HG2 VAL 25 10.651 4.191 5.501 194 H VAL 26 H VAL 26 11.545 0.524 6.872 195 HA VAL 26 HA VAL 26 12.302 -1.798 5.564 196 HB VAL 26 HB VAL 26 13.250 -2.546 7.726 197 HG11 VAL 26 1HG1 VAL 26 13.675 0.255 6.759 198 HG12 VAL 26 2HG1 VAL 26 14.601 -0.378 8.121 199 HG13 VAL 26 3HG1 VAL 26 14.697 -1.166 6.546 200 HG21 VAL 26 3HG2 VAL 26 11.600 -0.266 8.759 201 HG22 VAL 26 1HG2 VAL 26 11.708 -1.922 9.357 202 HG23 VAL 26 2HG2 VAL 26 13.047 -0.803 9.611 203 H GLU 27 H GLU 27 9.586 -1.214 7.649 204 HA GLU 27 HA GLU 27 9.027 -3.953 8.237 205 HB2 GLU 27 2HB GLU 27 7.486 -1.389 8.509 206 HB3 GLU 27 3HB GLU 27 6.707 -2.939 8.798 207 HG2 GLU 27 2HG GLU 27 8.082 -3.417 10.632 208 HG3 GLU 27 3HG GLU 27 9.239 -2.159 10.199 209 H THR 28 H THR 28 8.056 -1.691 5.737 210 HA THR 28 HA THR 28 5.947 -3.225 4.646 211 HB THR 28 HB THR 28 7.564 -1.488 2.846 212 HG1 THR 28 HG1 THR 28 6.990 0.351 3.890 213 HG21 THR 28 3HG2 THR 28 4.627 -1.894 3.395 214 HG22 THR 28 1HG2 THR 28 5.533 -2.381 1.963 215 HG23 THR 28 2HG2 THR 28 5.251 -0.671 2.288 216 H VAL 29 H VAL 29 9.216 -2.690 3.311 217 HA VAL 29 HA VAL 29 9.129 -4.610 1.323 218 HB VAL 29 HB VAL 29 11.585 -3.886 2.924 219 HG11 VAL 29 1HG1 VAL 29 12.702 -4.322 0.705 220 HG12 VAL 29 2HG1 VAL 29 12.058 -5.744 1.530 221 HG13 VAL 29 3HG1 VAL 29 11.180 -5.036 0.173 222 HG21 VAL 29 3HG2 VAL 29 11.381 -1.812 2.152 223 HG22 VAL 29 1HG2 VAL 29 11.484 -2.442 0.508 224 HG23 VAL 29 2HG2 VAL 29 9.910 -2.247 1.281 225 H LEU 30 H LEU 30 9.994 -4.973 4.727 226 HA LEU 30 HA LEU 30 10.972 -7.582 4.657 227 HB2 LEU 30 2HB LEU 30 9.775 -5.824 6.717 228 HB3 LEU 30 3HB LEU 30 9.836 -7.549 7.076 229 HG LEU 30 HG LEU 30 12.233 -5.861 6.364 230 HD11 LEU 30 1HD1 LEU 30 10.817 -6.272 8.882 231 HD12 LEU 30 2HD1 LEU 30 12.016 -5.059 8.438 232 HD13 LEU 30 3HD1 LEU 30 12.535 -6.661 8.962 233 HD21 LEU 30 3HD2 LEU 30 13.428 -7.740 6.342 234 HD22 LEU 30 1HD2 LEU 30 11.893 -8.603 6.249 235 HD23 LEU 30 2HD2 LEU 30 12.661 -8.337 7.814 236 H ALA 31 H ALA 31 7.653 -6.403 5.053 237 HA ALA 31 HA ALA 31 6.471 -8.950 5.417 238 HB1 ALA 31 1HB ALA 31 4.347 -7.783 4.875 239 HB2 ALA 31 2HB ALA 31 5.299 -6.978 6.123 240 HB3 ALA 31 3HB ALA 31 5.285 -6.343 4.478 241 H ALA 32 H ALA 32 7.488 -7.184 2.612 242 HA ALA 32 HA ALA 32 5.943 -8.792 0.766 243 HB1 ALA 32 1HB ALA 32 7.824 -7.442 -0.731 244 HB2 ALA 32 2HB ALA 32 6.185 -6.894 -0.378 245 HB3 ALA 32 3HB ALA 32 7.529 -6.362 0.631 246 H ASN 33 H ASN 33 9.149 -8.744 2.122 247 HA ASN 33 HA ASN 33 9.790 -11.161 0.569 248 HB2 ASN 33 2HB ASN 33 11.655 -8.886 1.271 249 HB3 ASN 33 3HB ASN 33 12.183 -10.429 0.608 250 HD21 ASN 33 1HD2 ASN 33 10.967 -7.342 -0.069 251 HD22 ASN 33 2HD2 ASN 33 10.764 -7.532 -1.774 252 HA PRO 34 HA PRO 34 10.031 -11.988 5.133 253 HB2 PRO 34 2HB PRO 34 8.682 -14.342 5.013 254 HB3 PRO 34 3HB PRO 34 7.874 -12.779 5.179 255 HG2 PRO 34 2HG PRO 34 8.293 -14.444 2.727 256 HG3 PRO 34 3HG PRO 34 6.843 -13.565 3.248 257 HD2 PRO 34 2HD PRO 34 8.534 -12.600 1.367 258 HD3 PRO 34 3HD PRO 34 7.638 -11.544 2.478 259 H GLY 35 H GLY 35 11.316 -13.529 6.193 260 HA2 GLY 35 2HA GLY 35 12.680 -15.445 6.334 261 HA3 GLY 35 3HA GLY 35 12.561 -15.630 4.590 262 H LEU 36 H LEU 36 13.199 -12.663 4.357 263 HA LEU 36 HA LEU 36 15.940 -12.925 3.829 264 HB2 LEU 36 2HB LEU 36 14.130 -11.175 3.053 265 HB3 LEU 36 3HB LEU 36 14.765 -10.250 4.412 266 HG LEU 36 HG LEU 36 15.786 -9.582 2.292 267 HD11 LEU 36 1HD1 LEU 36 18.079 -10.909 3.537 268 HD12 LEU 36 2HD1 LEU 36 17.048 -10.027 4.663 269 HD13 LEU 36 3HD1 LEU 36 17.757 -9.194 3.280 270 HD21 LEU 36 3HD2 LEU 36 17.540 -11.724 1.780 271 HD22 LEU 36 1HD2 LEU 36 16.250 -11.105 0.748 272 HD23 LEU 36 2HD2 LEU 36 15.918 -12.411 1.887 273 H ALA 37 H ALA 37 14.207 -11.772 6.657 274 HA ALA 37 HA ALA 37 16.314 -10.554 8.028 275 HB1 ALA 37 1HB ALA 37 14.633 -11.870 9.906 276 HB2 ALA 37 2HB ALA 37 14.671 -10.163 9.463 277 HB3 ALA 37 3HB ALA 37 13.633 -11.280 8.578 278 H GLU 38 H GLU 38 15.604 -13.900 7.477 279 HA GLU 38 HA GLU 38 17.428 -14.804 9.554 280 HB2 GLU 38 2HB GLU 38 15.842 -16.357 7.501 281 HB3 GLU 38 3HB GLU 38 16.805 -17.072 8.787 282 HG2 GLU 38 2HG GLU 38 14.319 -15.408 9.065 283 HG3 GLU 38 3HG GLU 38 14.532 -17.110 9.469 284 H LEU 39 H LEU 39 18.021 -13.373 6.808 285 HA LEU 39 HA LEU 39 19.844 -15.263 5.587 286 HB2 LEU 39 2HB LEU 39 18.457 -13.565 4.331 287 HB3 LEU 39 3HB LEU 39 19.548 -12.334 4.964 288 HG LEU 39 HG LEU 39 21.410 -13.332 3.768 289 HD11 LEU 39 1HD1 LEU 39 19.387 -15.435 3.092 290 HD12 LEU 39 2HD1 LEU 39 21.017 -15.624 3.736 291 HD13 LEU 39 3HD1 LEU 39 20.784 -15.144 2.055 292 HD21 LEU 39 3HD2 LEU 39 19.107 -13.090 1.849 293 HD22 LEU 39 1HD2 LEU 39 20.802 -12.683 1.582 294 HD23 LEU 39 2HD2 LEU 39 19.821 -11.699 2.667 295 H GLY 40 H GLY 40 20.128 -12.078 7.169 296 HA2 GLY 40 2HA GLY 40 22.104 -12.411 8.908 297 HA3 GLY 40 3HA GLY 40 23.013 -12.447 7.405 298 H ALA 41 H ALA 41 24.132 -10.577 7.520 299 HA ALA 41 HA ALA 41 22.794 -8.113 8.287 300 HB1 ALA 41 1HB ALA 41 24.885 -8.080 9.206 301 HB2 ALA 41 2HB ALA 41 25.617 -8.940 7.851 302 HB3 ALA 41 3HB ALA 41 25.207 -7.232 7.692 303 H VAL 42 H VAL 42 25.097 -8.689 5.641 304 HA VAL 42 HA VAL 42 23.461 -6.961 3.930 305 HB VAL 42 HB VAL 42 25.891 -6.442 4.240 306 HG11 VAL 42 1HG1 VAL 42 26.306 -8.923 2.576 307 HG12 VAL 42 2HG1 VAL 42 27.552 -7.796 3.116 308 HG13 VAL 42 3HG1 VAL 42 26.680 -8.779 4.293 309 HG21 VAL 42 3HG2 VAL 42 25.538 -5.349 2.338 310 HG22 VAL 42 1HG2 VAL 42 26.073 -6.781 1.456 311 HG23 VAL 42 2HG2 VAL 42 24.362 -6.556 1.818 312 H LEU 43 H LEU 43 22.639 -7.618 1.988 313 HA LEU 43 HA LEU 43 22.294 -10.447 1.619 314 HB2 LEU 43 2HB LEU 43 21.451 -8.246 -0.251 315 HB3 LEU 43 3HB LEU 43 20.789 -9.876 -0.137 316 HG LEU 43 HG LEU 43 20.266 -8.961 2.353 317 HD11 LEU 43 1HD1 LEU 43 20.759 -6.761 2.365 318 HD12 LEU 43 2HD1 LEU 43 19.177 -6.627 1.597 319 HD13 LEU 43 3HD1 LEU 43 20.640 -6.611 0.611 320 HD21 LEU 43 3HD2 LEU 43 18.524 -9.970 1.245 321 HD22 LEU 43 1HD2 LEU 43 18.717 -8.972 -0.196 322 HD23 LEU 43 2HD2 LEU 43 17.986 -8.290 1.257 323 HA PRO 44 HA PRO 44 25.495 -11.264 -1.273 324 HB2 PRO 44 2HB PRO 44 24.324 -13.173 -2.807 325 HB3 PRO 44 3HB PRO 44 24.870 -13.472 -1.153 326 HG2 PRO 44 2HG PRO 44 22.114 -12.882 -2.161 327 HG3 PRO 44 3HG PRO 44 22.633 -14.076 -0.957 328 HD2 PRO 44 2HD PRO 44 21.544 -11.693 -0.271 329 HD3 PRO 44 3HD PRO 44 22.769 -12.506 0.725 330 H HIS 45 H HIS 45 26.123 -9.973 -2.876 331 HA HIS 45 HA HIS 45 24.518 -8.397 -4.467 332 HB2 HIS 45 2HB HIS 45 26.512 -8.235 -5.994 333 HB3 HIS 45 3HB HIS 45 26.857 -7.910 -4.298 334 HD1 HIS 45 HD1 HIS 45 27.752 -10.136 -7.090 335 HD2 HIS 45 HD2 HIS 45 28.296 -10.012 -2.973 336 HE1 HIS 45 HE1 HIS 45 29.568 -11.806 -6.601 337 H GLY 46 H GLY 46 22.864 -9.206 -5.624 338 HA2 GLY 46 2HA GLY 46 22.795 -10.097 -8.067 339 HA3 GLY 46 3HA GLY 46 23.331 -11.580 -7.290 340 H THR 47 H THR 47 21.565 -10.488 -4.932 341 HA THR 47 HA THR 47 19.207 -11.966 -5.775 342 HB THR 47 HB THR 47 19.970 -10.824 -3.081 343 HG1 THR 47 HG1 THR 47 20.061 -13.422 -4.228 344 HG21 THR 47 3HG2 THR 47 17.547 -12.339 -4.004 345 HG22 THR 47 1HG2 THR 47 17.630 -10.870 -3.032 346 HG23 THR 47 2HG2 THR 47 18.095 -12.420 -2.330 347 H ALA 48 H ALA 48 17.512 -10.974 -6.628 348 HA ALA 48 HA ALA 48 17.230 -8.128 -6.584 349 HB1 ALA 48 1HB ALA 48 15.903 -10.391 -7.902 350 HB2 ALA 48 2HB ALA 48 14.861 -9.007 -7.569 351 HB3 ALA 48 3HB ALA 48 16.326 -8.798 -8.528 352 H VAL 49 H VAL 49 15.690 -6.878 -5.555 353 HA VAL 49 HA VAL 49 14.049 -8.218 -3.511 354 HB VAL 49 HB VAL 49 15.492 -5.602 -3.076 355 HG11 VAL 49 1HG1 VAL 49 13.639 -5.569 -1.684 356 HG12 VAL 49 2HG1 VAL 49 13.688 -7.312 -1.409 357 HG13 VAL 49 3HG1 VAL 49 14.885 -6.264 -0.647 358 HG21 VAL 49 3HG2 VAL 49 16.993 -6.821 -1.598 359 HG22 VAL 49 1HG2 VAL 49 16.180 -8.335 -1.998 360 HG23 VAL 49 2HG2 VAL 49 17.084 -7.465 -3.238 361 H GLU 50 H GLU 50 11.969 -7.669 -3.568 362 HA GLU 50 HA GLU 50 11.027 -5.750 -5.469 363 HB2 GLU 50 2HB GLU 50 9.703 -7.712 -5.126 364 HB3 GLU 50 3HB GLU 50 9.628 -7.433 -3.392 365 HG2 GLU 50 2HG GLU 50 8.090 -5.716 -3.602 366 HG3 GLU 50 3HG GLU 50 8.491 -5.430 -5.294 367 H LEU 51 H LEU 51 10.074 -3.773 -5.126 368 HA LEU 51 HA LEU 51 10.329 -2.671 -2.404 369 HB2 LEU 51 2HB LEU 51 10.807 -1.365 -5.072 370 HB3 LEU 51 3HB LEU 51 10.640 -0.458 -3.570 371 HG LEU 51 HG LEU 51 12.725 -2.593 -3.827 372 HD11 LEU 51 1HD1 LEU 51 13.956 -1.445 -5.268 373 HD12 LEU 51 2HD1 LEU 51 13.799 0.021 -4.301 374 HD13 LEU 51 3HD1 LEU 51 12.586 -0.363 -5.522 375 HD21 LEU 51 3HD2 LEU 51 13.093 -0.037 -2.373 376 HD22 LEU 51 1HD2 LEU 51 13.630 -1.666 -1.962 377 HD23 LEU 51 2HD2 LEU 51 11.950 -1.198 -1.698 378 HA PRO 52 HA PRO 52 5.868 -2.417 -3.310 379 HB2 PRO 52 2HB PRO 52 5.131 -2.454 -0.697 380 HB3 PRO 52 3HB PRO 52 5.492 -3.921 -1.614 381 HG2 PRO 52 2HG PRO 52 7.230 -2.404 0.294 382 HG3 PRO 52 3HG PRO 52 7.003 -4.156 0.138 383 HD2 PRO 52 2HD PRO 52 9.149 -2.868 -0.895 384 HD3 PRO 52 3HD PRO 52 8.445 -4.310 -1.653 385 H ASP 53 H ASP 53 4.303 -0.779 -2.850 386 HA ASP 53 HA ASP 53 3.620 1.377 -2.607 387 HB2 ASP 53 2HB ASP 53 5.466 1.024 -0.270 388 HB3 ASP 53 3HB ASP 53 4.765 2.606 -0.601 389 H VAL 54 H VAL 54 5.305 1.114 -4.664 390 HA VAL 54 HA VAL 54 6.965 3.543 -4.504 391 HB VAL 54 HB VAL 54 7.628 1.012 -6.016 392 HG11 VAL 54 1HG1 VAL 54 9.855 2.499 -6.187 393 HG12 VAL 54 2HG1 VAL 54 8.587 2.512 -7.414 394 HG13 VAL 54 3HG1 VAL 54 8.644 3.781 -6.190 395 HG21 VAL 54 3HG2 VAL 54 8.927 2.321 -3.629 396 HG22 VAL 54 1HG2 VAL 54 8.078 0.776 -3.658 397 HG23 VAL 54 2HG2 VAL 54 9.604 0.960 -4.523 398 H GLN 55 H GLN 55 6.936 4.901 -6.270 399 HA GLN 55 HA GLN 55 5.018 4.208 -8.397 400 HB2 GLN 55 2HB GLN 55 5.489 6.852 -7.023 401 HB3 GLN 55 3HB GLN 55 4.598 6.703 -8.532 402 HG2 GLN 55 2HG GLN 55 3.851 5.265 -5.999 403 HG3 GLN 55 3HG GLN 55 3.189 6.827 -6.479 404 HE21 GLN 55 1HE2 GLN 55 1.211 5.411 -6.230 405 HE22 GLN 55 2HE2 GLN 55 0.656 4.605 -7.653 406 H THR 56 H THR 56 5.667 4.447 -10.456 407 HA THR 56 HA THR 56 8.087 5.998 -11.022 408 HB THR 56 HB THR 56 8.760 3.615 -10.708 409 HG1 THR 56 HG1 THR 56 9.085 4.161 -13.443 410 HG21 THR 56 3HG2 THR 56 7.132 3.130 -13.204 411 HG22 THR 56 1HG2 THR 56 6.656 2.621 -11.584 412 HG23 THR 56 2HG2 THR 56 8.107 1.949 -12.330 413 H ALA 57 H ALA 57 8.454 6.005 -13.510 414 HA ALA 57 HA ALA 57 6.371 7.335 -14.734 415 HB1 ALA 57 1HB ALA 57 7.969 5.933 -16.690 416 HB2 ALA 57 2HB ALA 57 7.875 7.659 -16.339 417 HB3 ALA 57 3HB ALA 57 8.971 6.630 -15.417 418 HA PRO 58 HA PRO 58 3.476 4.387 -16.211 419 HB2 PRO 58 2HB PRO 58 2.834 5.373 -18.658 420 HB3 PRO 58 3HB PRO 58 2.318 6.136 -17.149 421 HG2 PRO 58 2HG PRO 58 4.599 6.852 -18.950 422 HG3 PRO 58 3HG PRO 58 3.433 7.917 -18.143 423 HD2 PRO 58 2HD PRO 58 5.937 7.514 -17.194 424 HD3 PRO 58 3HD PRO 58 4.550 7.824 -16.129 425 H VAL 59 H VAL 59 4.120 2.378 -16.690 426 HA VAL 59 HA VAL 59 5.447 1.930 -19.279 427 HB VAL 59 HB VAL 59 6.730 0.074 -18.259 428 HG11 VAL 59 1HG1 VAL 59 7.751 2.278 -18.570 429 HG12 VAL 59 2HG1 VAL 59 7.204 2.758 -16.963 430 HG13 VAL 59 3HG1 VAL 59 8.391 1.465 -17.142 431 HG21 VAL 59 3HG2 VAL 59 5.195 -0.289 -16.342 432 HG22 VAL 59 1HG2 VAL 59 6.889 -0.162 -15.868 433 HG23 VAL 59 2HG2 VAL 59 5.799 1.202 -15.621 434 H ALA 60 H ALA 60 5.063 -0.146 -20.235 435 HA ALA 60 HA ALA 60 2.433 -0.979 -20.251 436 HB1 ALA 60 1HB ALA 60 3.581 -1.679 -22.104 437 HB2 ALA 60 2HB ALA 60 4.983 -2.208 -21.173 438 HB3 ALA 60 3HB ALA 60 3.513 -3.183 -21.186 439 H GLU 61 H GLU 61 1.239 -1.942 -18.756 440 HA GLU 61 HA GLU 61 2.308 -4.179 -17.247 441 HB2 GLU 61 2HB GLU 61 1.682 -3.275 -15.073 442 HB3 GLU 61 3HB GLU 61 2.872 -2.239 -15.847 443 HG2 GLU 61 2HG GLU 61 1.378 -0.714 -14.999 444 HG3 GLU 61 3HG GLU 61 0.817 -0.896 -16.660 445 H THR 62 H THR 62 0.394 -4.776 -15.545 446 HA THR 62 HA THR 62 -2.220 -4.451 -16.780 447 HB THR 62 HB THR 62 -1.368 -7.266 -16.216 448 HG1 THR 62 HG1 THR 62 -0.466 -7.463 -18.199 449 HG21 THR 62 3HG2 THR 62 -3.587 -5.862 -17.543 450 HG22 THR 62 1HG2 THR 62 -3.563 -7.421 -16.720 451 HG23 THR 62 2HG2 THR 62 -2.999 -7.295 -18.386 452 H VAL 63 H VAL 63 -3.969 -5.215 -15.435 453 HA VAL 63 HA VAL 63 -3.391 -6.101 -12.750 454 HB VAL 63 HB VAL 63 -3.013 -3.685 -12.530 455 HG11 VAL 63 1HG1 VAL 63 -4.947 -3.369 -14.392 456 HG12 VAL 63 2HG1 VAL 63 -5.846 -2.990 -12.921 457 HG13 VAL 63 3HG1 VAL 63 -4.386 -2.085 -13.322 458 HG21 VAL 63 3HG2 VAL 63 -5.605 -4.485 -11.214 459 HG22 VAL 63 1HG2 VAL 63 -4.014 -5.034 -10.687 460 HG23 VAL 63 2HG2 VAL 63 -4.420 -3.319 -10.624 461 H ASN 64 H ASN 64 -5.104 -7.124 -11.825 462 HA ASN 64 HA ASN 64 -7.443 -7.508 -13.505 463 HB2 ASN 64 2HB ASN 64 -8.025 -9.229 -11.725 464 HB3 ASN 64 3HB ASN 64 -6.545 -9.527 -12.632 465 HD21 ASN 64 1HD2 ASN 64 -4.783 -9.954 -11.512 466 HD22 ASN 64 2HD2 ASN 64 -4.546 -9.626 -9.833 467 H LEU 65 H LEU 65 -9.613 -7.630 -12.397 468 HA LEU 65 HA LEU 65 -9.931 -5.801 -10.153 469 HB2 LEU 65 2HB LEU 65 -10.896 -5.291 -12.930 470 HB3 LEU 65 3HB LEU 65 -11.864 -4.739 -11.565 471 HG LEU 65 HG LEU 65 -8.999 -3.945 -12.082 472 HD11 LEU 65 1HD1 LEU 65 -11.540 -2.384 -12.524 473 HD12 LEU 65 2HD1 LEU 65 -10.526 -3.073 -13.792 474 HD13 LEU 65 3HD1 LEU 65 -9.894 -1.793 -12.755 475 HD21 LEU 65 3HD2 LEU 65 -11.037 -2.973 -10.082 476 HD22 LEU 65 1HD2 LEU 65 -9.458 -2.239 -10.365 477 HD23 LEU 65 2HD2 LEU 65 -9.566 -3.881 -9.730 478 H TRP 66 H TRP 66 -11.083 -6.974 -8.774 479 HA TRP 66 HA TRP 66 -12.751 -9.133 -9.520 480 HB2 TRP 66 2HB TRP 66 -12.474 -7.602 -6.930 481 HB3 TRP 66 3HB TRP 66 -13.506 -9.017 -7.109 482 HD1 TRP 66 HD1 TRP 66 -11.435 -10.742 -8.898 483 HE1 TRP 66 HE1 TRP 66 -9.389 -11.784 -7.735 484 HE3 TRP 66 HE3 TRP 66 -11.237 -7.743 -4.763 485 HZ2 TRP 66 HZ2 TRP 66 -7.890 -11.387 -5.376 486 HZ3 TRP 66 HZ3 TRP 66 -9.467 -8.141 -3.101 487 HH2 TRP 66 HH2 TRP 66 -7.829 -9.926 -3.403 488 H GLU 67 H GLU 67 -14.565 -8.858 -10.650 489 HA GLU 67 HA GLU 67 -16.365 -6.655 -9.883 490 HB2 GLU 67 2HB GLU 67 -15.924 -8.005 -12.543 491 HB3 GLU 67 3HB GLU 67 -17.321 -6.988 -12.219 492 HG2 GLU 67 2HG GLU 67 -15.881 -5.092 -11.787 493 HG3 GLU 67 3HG GLU 67 -14.453 -6.100 -12.012 494 H VAL 68 H VAL 68 -16.220 -9.282 -8.632 495 HA VAL 68 HA VAL 68 -18.847 -10.375 -9.400 496 HB VAL 68 HB VAL 68 -17.209 -12.081 -9.667 497 HG11 VAL 68 1HG1 VAL 68 -16.067 -12.559 -7.182 498 HG12 VAL 68 2HG1 VAL 68 -15.271 -11.859 -8.593 499 HG13 VAL 68 3HG1 VAL 68 -15.990 -10.807 -7.372 500 HG21 VAL 68 3HG2 VAL 68 -19.376 -12.381 -8.076 501 HG22 VAL 68 1HG2 VAL 68 -18.319 -13.704 -8.568 502 HG23 VAL 68 2HG2 VAL 68 -18.098 -12.938 -6.995 503 H GLU 69 H GLU 69 -20.276 -9.324 -8.126 504 HA GLU 69 HA GLU 69 -20.478 -10.008 -5.399 505 HB2 GLU 69 2HB GLU 69 -18.618 -8.147 -5.552 506 HB3 GLU 69 3HB GLU 69 -20.002 -7.070 -5.676 507 HG2 GLU 69 2HG GLU 69 -20.855 -8.225 -3.561 508 HG3 GLU 69 3HG GLU 69 -19.217 -8.856 -3.404 509 H HIS 70 H HIS 70 -22.559 -9.882 -4.831 510 HA HIS 70 HA HIS 70 -24.323 -8.167 -6.454 511 HB2 HIS 70 2HB HIS 70 -26.112 -9.822 -5.982 512 HB3 HIS 70 3HB HIS 70 -24.765 -10.513 -6.883 513 HD1 HIS 70 HD1 HIS 70 -26.698 -10.889 -3.785 514 HD2 HIS 70 HD2 HIS 70 -23.068 -12.226 -5.299 515 HE1 HIS 70 HE1 HIS 70 -26.018 -12.805 -2.306 516 H HIS 71 H HIS 71 -23.475 -9.258 -3.246 517 HA HIS 71 HA HIS 71 -25.594 -7.669 -2.026 518 HB2 HIS 71 2HB HIS 71 -24.749 -10.024 -1.254 519 HB3 HIS 71 3HB HIS 71 -23.473 -9.102 -0.465 520 HD1 HIS 71 HD1 HIS 71 -24.209 -9.478 1.922 521 HD2 HIS 71 HD2 HIS 71 -27.224 -7.926 -0.479 522 HE1 HIS 71 HE1 HIS 71 -26.067 -8.850 3.497 Start of MODEL 15 1 H1 MET 1 H MET 1 2.821 -2.691 -2.726 2 HA MET 1 HA MET 1 3.754 -2.620 -5.518 3 HB2 MET 1 2HB MET 1 3.677 -0.495 -3.972 4 HB3 MET 1 3HB MET 1 5.162 -1.168 -3.313 5 HG2 MET 1 2HG MET 1 5.877 0.312 -4.956 6 HG3 MET 1 3HG MET 1 5.983 -1.272 -5.722 7 HE1 MET 1 3HE MET 1 4.407 -2.104 -7.659 8 HE2 MET 1 1HE MET 1 4.139 -0.849 -8.868 9 HE3 MET 1 2HE MET 1 5.738 -1.057 -8.153 10 H LYS 2 H LYS 2 3.723 -4.996 -3.893 11 HA LYS 2 HA LYS 2 6.399 -5.458 -2.942 12 HB2 LYS 2 2HB LYS 2 5.621 -7.786 -2.615 13 HB3 LYS 2 3HB LYS 2 4.558 -6.603 -1.863 14 HG2 LYS 2 2HG LYS 2 3.000 -6.803 -3.726 15 HG3 LYS 2 3HG LYS 2 4.072 -7.970 -4.503 16 HD2 LYS 2 2HD LYS 2 3.839 -9.258 -2.243 17 HD3 LYS 2 3HD LYS 2 2.383 -8.277 -2.055 18 HE2 LYS 2 2HE LYS 2 1.638 -9.084 -4.293 19 HE3 LYS 2 3HE LYS 2 3.028 -10.168 -4.314 20 HZ1 LYS 2 3HZ LYS 2 0.639 -10.863 -3.385 21 HZ2 LYS 2 1HZ LYS 2 1.346 -10.309 -1.951 22 HZ3 LYS 2 2HZ LYS 2 2.082 -11.551 -2.833 23 H THR 3 H THR 3 7.906 -6.938 -3.824 24 HA THR 3 HA THR 3 7.468 -7.864 -6.553 25 HB THR 3 HB THR 3 8.434 -5.629 -6.856 26 HG1 THR 3 HG1 THR 3 10.346 -6.386 -8.042 27 HG21 THR 3 3HG2 THR 3 9.962 -4.838 -5.444 28 HG22 THR 3 1HG2 THR 3 11.104 -6.059 -6.003 29 HG23 THR 3 2HG2 THR 3 10.044 -6.402 -4.636 30 H PHE 4 H PHE 4 9.184 -9.330 -7.295 31 HA PHE 4 HA PHE 4 10.048 -11.032 -5.121 32 HB2 PHE 4 2HB PHE 4 10.577 -11.451 -8.062 33 HB3 PHE 4 3HB PHE 4 10.535 -12.664 -6.787 34 HD1 PHE 4 HD2 PHE 4 8.184 -12.636 -5.451 35 HD2 PHE 4 HD1 PHE 4 8.791 -11.421 -9.485 36 HE1 PHE 4 HE2 PHE 4 5.809 -13.060 -5.933 37 HE2 PHE 4 HE1 PHE 4 6.417 -11.842 -9.973 38 HZ PHE 4 HZ PHE 4 4.923 -12.664 -8.197 39 H ALA 5 H ALA 5 11.844 -10.450 -4.078 40 HA ALA 5 HA ALA 5 13.900 -8.844 -5.075 41 HB1 ALA 5 1HB ALA 5 14.397 -10.883 -2.940 42 HB2 ALA 5 2HB ALA 5 15.017 -9.238 -3.080 43 HB3 ALA 5 3HB ALA 5 13.330 -9.510 -2.644 44 H LEU 6 H LEU 6 16.024 -9.325 -5.746 45 HA LEU 6 HA LEU 6 16.683 -12.078 -6.410 46 HB2 LEU 6 2HB LEU 6 16.596 -9.921 -8.514 47 HB3 LEU 6 3HB LEU 6 17.153 -11.578 -8.743 48 HG LEU 6 HG LEU 6 14.324 -10.869 -7.985 49 HD11 LEU 6 1HD1 LEU 6 14.872 -11.792 -10.714 50 HD12 LEU 6 2HD1 LEU 6 15.452 -10.167 -10.350 51 HD13 LEU 6 3HD1 LEU 6 13.748 -10.564 -10.131 52 HD21 LEU 6 3HD2 LEU 6 13.930 -13.063 -7.951 53 HD22 LEU 6 1HD2 LEU 6 15.680 -13.268 -7.891 54 HD23 LEU 6 2HD2 LEU 6 14.838 -13.333 -9.439 55 H GLN 7 H GLN 7 18.905 -11.887 -7.800 56 HA GLN 7 HA GLN 7 20.869 -11.121 -6.022 57 HB2 GLN 7 2HB GLN 7 22.452 -11.360 -7.851 58 HB3 GLN 7 3HB GLN 7 21.241 -12.632 -7.933 59 HG2 GLN 7 2HG GLN 7 20.030 -11.177 -9.615 60 HG3 GLN 7 3HG GLN 7 21.495 -10.198 -9.667 61 HE21 GLN 7 1HE2 GLN 7 22.969 -10.743 -11.105 62 HE22 GLN 7 2HE2 GLN 7 23.101 -12.273 -11.895 63 H GLY 8 H GLY 8 21.649 -9.227 -5.373 64 HA2 GLY 8 2HA GLY 8 22.133 -6.985 -5.297 65 HA3 GLY 8 3HA GLY 8 22.213 -7.048 -7.052 66 H ASP 9 H ASP 9 19.291 -7.960 -5.421 67 HA ASP 9 HA ASP 9 18.081 -5.380 -6.167 68 HB2 ASP 9 2HB ASP 9 17.175 -8.166 -6.770 69 HB3 ASP 9 3HB ASP 9 15.964 -6.912 -6.516 70 H THR 10 H THR 10 19.112 -6.444 -3.594 71 HA THR 10 HA THR 10 16.889 -7.101 -1.939 72 HB THR 10 HB THR 10 18.369 -6.956 -0.088 73 HG1 THR 10 HG1 THR 10 20.419 -5.751 -1.594 74 HG21 THR 10 3HG2 THR 10 19.904 -7.842 -2.532 75 HG22 THR 10 1HG2 THR 10 18.866 -8.840 -1.515 76 HG23 THR 10 2HG2 THR 10 20.375 -8.195 -0.870 77 H LEU 11 H LEU 11 16.694 -5.639 0.178 78 HA LEU 11 HA LEU 11 15.197 -3.425 -0.465 79 HB2 LEU 11 2HB LEU 11 16.799 -3.722 2.068 80 HB3 LEU 11 3HB LEU 11 15.323 -2.785 1.845 81 HG LEU 11 HG LEU 11 15.583 -5.790 1.854 82 HD11 LEU 11 1HD1 LEU 11 15.236 -3.923 3.922 83 HD12 LEU 11 2HD1 LEU 11 15.079 -5.677 4.009 84 HD13 LEU 11 3HD1 LEU 11 13.665 -4.681 3.666 85 HD21 LEU 11 3HD2 LEU 11 13.946 -5.240 0.208 86 HD22 LEU 11 1HD2 LEU 11 13.219 -4.021 1.255 87 HD23 LEU 11 2HD2 LEU 11 13.088 -5.730 1.669 88 H ASP 12 H ASP 12 18.643 -3.568 0.323 89 HA ASP 12 HA ASP 12 19.216 -0.861 0.440 90 HB2 ASP 12 2HB ASP 12 20.945 -2.343 1.054 91 HB3 ASP 12 3HB ASP 12 20.847 -3.222 -0.470 92 H ALA 13 H ALA 13 18.770 -2.935 -2.359 93 HA ALA 13 HA ALA 13 19.523 -0.825 -4.206 94 HB1 ALA 13 1HB ALA 13 20.180 -2.718 -5.230 95 HB2 ALA 13 2HB ALA 13 18.991 -3.713 -4.387 96 HB3 ALA 13 3HB ALA 13 18.509 -2.762 -5.792 97 H ILE 14 H ILE 14 16.603 -2.787 -3.605 98 HA ILE 14 HA ILE 14 14.854 -1.507 -5.301 99 HB ILE 14 HB ILE 14 14.218 -2.607 -2.561 100 HG12 ILE 14 2HG1 ILE 14 13.932 -3.966 -5.242 101 HG13 ILE 14 3HG1 ILE 14 15.354 -4.152 -4.222 102 HG21 ILE 14 1HG2 ILE 14 11.935 -2.888 -3.465 103 HG22 ILE 14 2HG2 ILE 14 12.424 -1.199 -3.344 104 HG23 ILE 14 3HG2 ILE 14 12.428 -2.008 -4.911 105 HD11 ILE 14 3HD1 ILE 14 14.017 -5.140 -2.478 106 HD12 ILE 14 1HD1 ILE 14 12.546 -4.861 -3.409 107 HD13 ILE 14 2HD1 ILE 14 13.757 -6.002 -3.994 108 H CYS 15 H CYS 15 15.442 -0.722 -1.874 109 HA CYS 15 HA CYS 15 13.732 1.433 -1.631 110 HB2 CYS 15 2HB CYS 15 16.396 0.881 -0.328 111 HB3 CYS 15 3HB CYS 15 15.388 2.251 0.123 112 HG CYS 15 HG CYS 15 13.177 0.457 0.724 113 H VAL 16 H VAL 16 16.834 1.243 -3.202 114 HA VAL 16 HA VAL 16 17.064 4.122 -3.485 115 HB VAL 16 HB VAL 16 18.766 1.893 -4.611 116 HG11 VAL 16 1HG1 VAL 16 19.105 3.678 -6.075 117 HG12 VAL 16 2HG1 VAL 16 18.981 4.879 -4.789 118 HG13 VAL 16 3HG1 VAL 16 20.408 3.848 -4.899 119 HG21 VAL 16 3HG2 VAL 16 20.320 2.376 -2.881 120 HG22 VAL 16 1HG2 VAL 16 19.423 3.812 -2.386 121 HG23 VAL 16 2HG2 VAL 16 18.742 2.209 -2.111 122 H ARG 17 H ARG 17 15.927 1.394 -5.304 123 HA ARG 17 HA ARG 17 15.873 2.839 -7.816 124 HB2 ARG 17 2HB ARG 17 15.490 0.832 -8.809 125 HB3 ARG 17 3HB ARG 17 16.134 0.220 -7.292 126 HG2 ARG 17 2HG ARG 17 13.812 0.006 -6.450 127 HG3 ARG 17 3HG ARG 17 13.233 0.488 -8.046 128 HD2 ARG 17 2HD ARG 17 15.087 -1.842 -7.636 129 HD3 ARG 17 3HD ARG 17 13.333 -2.006 -7.561 130 HE ARG 17 HE ARG 17 13.965 -0.713 -9.947 131 HH11 ARG 17 1HH1 ARG 17 14.439 -3.814 -8.438 132 HH12 ARG 17 2HH1 ARG 17 14.486 -4.682 -9.937 133 HH21 ARG 17 1HH2 ARG 17 14.024 -1.844 -11.926 134 HH22 ARG 17 2HH2 ARG 17 14.251 -3.560 -11.921 135 H TYR 18 H TYR 18 13.893 2.524 -5.092 136 HA TYR 18 HA TYR 18 11.496 3.303 -6.610 137 HB2 TYR 18 2HB TYR 18 11.932 1.715 -4.164 138 HB3 TYR 18 3HB TYR 18 10.582 2.842 -4.086 139 HD1 TYR 18 HD2 TYR 18 11.929 -0.121 -5.797 140 HD2 TYR 18 HD1 TYR 18 8.599 2.497 -5.402 141 HE1 TYR 18 HE2 TYR 18 10.533 -1.719 -7.040 142 HE2 TYR 18 HE1 TYR 18 7.193 0.906 -6.643 143 HH TYR 18 HH TYR 18 7.977 -2.236 -7.145 144 H TYR 19 H TYR 19 12.924 3.956 -3.404 145 HA TYR 19 HA TYR 19 11.775 6.633 -3.454 146 HB2 TYR 19 2HB TYR 19 13.425 5.447 -1.230 147 HB3 TYR 19 3HB TYR 19 12.241 6.745 -1.135 148 HD1 TYR 19 HD2 TYR 19 9.810 6.205 -1.357 149 HD2 TYR 19 HD1 TYR 19 12.776 3.173 -1.023 150 HE1 TYR 19 HE2 TYR 19 8.070 4.580 -0.739 151 HE2 TYR 19 HE1 TYR 19 11.045 1.539 -0.405 152 HH TYR 19 HH TYR 19 8.738 1.177 -0.499 153 H GLY 20 H GLY 20 14.905 5.029 -3.499 154 HA2 GLY 20 2HA GLY 20 16.821 5.931 -4.543 155 HA3 GLY 20 3HA GLY 20 16.116 7.534 -4.399 156 H ARG 21 H ARG 21 16.069 5.465 -1.635 157 HA ARG 21 HA ARG 21 18.572 6.286 -0.538 158 HB2 ARG 21 2HB ARG 21 17.757 7.731 1.228 159 HB3 ARG 21 3HB ARG 21 17.301 8.398 -0.334 160 HG2 ARG 21 2HG ARG 21 15.320 6.634 0.956 161 HG3 ARG 21 3HG ARG 21 15.618 8.190 1.735 162 HD2 ARG 21 2HD ARG 21 15.426 8.938 -0.864 163 HD3 ARG 21 3HD ARG 21 14.315 7.570 -0.827 164 HE ARG 21 HE ARG 21 13.928 9.456 1.314 165 HH11 ARG 21 1HH1 ARG 21 13.117 8.624 -1.968 166 HH12 ARG 21 2HH1 ARG 21 11.625 9.504 -1.960 167 HH21 ARG 21 1HH2 ARG 21 11.966 10.618 1.336 168 HH22 ARG 21 2HH2 ARG 21 10.972 10.639 -0.081 169 H THR 22 H THR 22 18.800 5.581 1.753 170 HA THR 22 HA THR 22 17.031 3.290 2.317 171 HB THR 22 HB THR 22 19.183 2.482 3.611 172 HG1 THR 22 HG1 THR 22 20.257 4.130 1.544 173 HG21 THR 22 3HG2 THR 22 18.114 2.030 0.987 174 HG22 THR 22 1HG2 THR 22 18.913 0.893 2.072 175 HG23 THR 22 2HG2 THR 22 19.869 1.864 0.951 176 H GLU 23 H GLU 23 18.731 6.055 3.589 177 HA GLU 23 HA GLU 23 18.387 5.533 6.338 178 HB2 GLU 23 2HB GLU 23 19.929 7.246 5.359 179 HB3 GLU 23 3HB GLU 23 18.523 8.239 5.001 180 HG2 GLU 23 2HG GLU 23 18.032 7.976 7.543 181 HG3 GLU 23 3HG GLU 23 19.744 7.566 7.635 182 H GLY 24 H GLY 24 16.492 5.213 7.301 183 HA2 GLY 24 2HA GLY 24 14.470 6.020 8.213 184 HA3 GLY 24 3HA GLY 24 14.369 7.184 6.900 185 H VAL 25 H VAL 25 14.994 4.956 4.959 186 HA VAL 25 HA VAL 25 12.233 4.089 4.635 187 HB VAL 25 HB VAL 25 14.550 3.607 2.763 188 HG11 VAL 25 1HG1 VAL 25 12.092 2.463 2.749 189 HG12 VAL 25 2HG1 VAL 25 11.810 3.884 1.741 190 HG13 VAL 25 3HG1 VAL 25 13.074 2.733 1.309 191 HG21 VAL 25 3HG2 VAL 25 13.342 5.565 1.519 192 HG22 VAL 25 1HG2 VAL 25 12.786 5.984 3.140 193 HG23 VAL 25 2HG2 VAL 25 14.513 5.910 2.791 194 H VAL 26 H VAL 26 15.463 2.690 4.999 195 HA VAL 26 HA VAL 26 14.841 0.004 4.656 196 HB VAL 26 HB VAL 26 16.805 -0.482 6.090 197 HG11 VAL 26 1HG1 VAL 26 16.977 1.568 3.912 198 HG12 VAL 26 2HG1 VAL 26 18.432 0.961 4.706 199 HG13 VAL 26 3HG1 VAL 26 17.360 -0.152 3.854 200 HG21 VAL 26 3HG2 VAL 26 17.920 2.043 6.485 201 HG22 VAL 26 1HG2 VAL 26 16.250 2.188 7.032 202 HG23 VAL 26 2HG2 VAL 26 17.299 0.950 7.722 203 H GLU 27 H GLU 27 14.290 2.112 7.384 204 HA GLU 27 HA GLU 27 13.737 0.040 9.269 205 HB2 GLU 27 2HB GLU 27 13.139 2.996 9.244 206 HB3 GLU 27 3HB GLU 27 12.690 1.945 10.580 207 HG2 GLU 27 2HG GLU 27 14.933 1.496 11.120 208 HG3 GLU 27 3HG GLU 27 15.515 2.158 9.593 209 H THR 28 H THR 28 11.910 1.697 6.839 210 HA THR 28 HA THR 28 9.320 1.076 7.879 211 HB THR 28 HB THR 28 9.741 1.556 4.961 212 HG1 THR 28 HG1 THR 28 10.219 3.678 5.290 213 HG21 THR 28 3HG2 THR 28 7.764 2.668 6.954 214 HG22 THR 28 1HG2 THR 28 7.479 1.270 5.919 215 HG23 THR 28 2HG2 THR 28 7.712 2.865 5.203 216 H VAL 29 H VAL 29 10.977 -0.109 4.945 217 HA VAL 29 HA VAL 29 9.266 -2.214 4.387 218 HB VAL 29 HB VAL 29 12.247 -2.221 3.900 219 HG11 VAL 29 1HG1 VAL 29 9.954 -3.823 2.881 220 HG12 VAL 29 2HG1 VAL 29 11.293 -3.470 1.788 221 HG13 VAL 29 3HG1 VAL 29 11.590 -4.332 3.298 222 HG21 VAL 29 3HG2 VAL 29 10.805 -1.443 1.594 223 HG22 VAL 29 1HG2 VAL 29 10.250 -0.435 2.930 224 HG23 VAL 29 2HG2 VAL 29 11.966 -0.498 2.527 225 H LEU 30 H LEU 30 11.930 -2.043 6.660 226 HA LEU 30 HA LEU 30 12.219 -4.789 7.179 227 HB2 LEU 30 2HB LEU 30 12.970 -2.267 8.513 228 HB3 LEU 30 3HB LEU 30 12.880 -3.690 9.549 229 HG LEU 30 HG LEU 30 14.605 -3.418 7.087 230 HD11 LEU 30 1HD1 LEU 30 15.058 -2.179 9.423 231 HD12 LEU 30 2HD1 LEU 30 16.342 -2.811 8.393 232 HD13 LEU 30 3HD1 LEU 30 15.777 -3.751 9.774 233 HD21 LEU 30 3HD2 LEU 30 14.427 -5.666 7.162 234 HD22 LEU 30 1HD2 LEU 30 13.886 -5.676 8.841 235 HD23 LEU 30 2HD2 LEU 30 15.602 -5.505 8.468 236 H ALA 31 H ALA 31 10.162 -2.323 8.675 237 HA ALA 31 HA ALA 31 9.086 -3.962 10.700 238 HB1 ALA 31 1HB ALA 31 7.742 -1.605 9.388 239 HB2 ALA 31 2HB ALA 31 7.433 -2.255 10.999 240 HB3 ALA 31 3HB ALA 31 8.974 -1.475 10.644 241 H ALA 32 H ALA 32 8.168 -3.410 7.351 242 HA ALA 32 HA ALA 32 5.666 -4.773 7.512 243 HB1 ALA 32 1HB ALA 32 6.482 -4.871 4.857 244 HB2 ALA 32 2HB ALA 32 5.461 -3.643 5.607 245 HB3 ALA 32 3HB ALA 32 7.203 -3.392 5.492 246 H ASN 33 H ASN 33 8.964 -5.727 6.826 247 HA ASN 33 HA ASN 33 8.055 -8.522 6.652 248 HB2 ASN 33 2HB ASN 33 9.918 -7.010 4.891 249 HB3 ASN 33 3HB ASN 33 10.326 -8.685 5.251 250 HD21 ASN 33 1HD2 ASN 33 7.602 -6.678 4.205 251 HD22 ASN 33 2HD2 ASN 33 6.950 -7.835 3.100 252 HA PRO 34 HA PRO 34 11.034 -7.979 10.173 253 HB2 PRO 34 2HB PRO 34 9.568 -9.427 11.941 254 HB3 PRO 34 3HB PRO 34 9.320 -7.697 11.676 255 HG2 PRO 34 2HG PRO 34 7.792 -10.022 10.570 256 HG3 PRO 34 3HG PRO 34 7.181 -8.489 11.220 257 HD2 PRO 34 2HD PRO 34 7.396 -8.962 8.563 258 HD3 PRO 34 3HD PRO 34 7.607 -7.345 9.264 259 H GLY 35 H GLY 35 12.406 -9.549 11.094 260 HA2 GLY 35 2HA GLY 35 13.207 -11.732 11.468 261 HA3 GLY 35 3HA GLY 35 11.982 -12.345 10.368 262 H LEU 36 H LEU 36 12.854 -10.119 8.451 263 HA LEU 36 HA LEU 36 14.545 -11.703 6.853 264 HB2 LEU 36 2HB LEU 36 12.971 -9.614 6.353 265 HB3 LEU 36 3HB LEU 36 14.510 -8.763 6.462 266 HG LEU 36 HG LEU 36 13.918 -9.303 4.149 267 HD11 LEU 36 1HD1 LEU 36 16.343 -9.534 5.307 268 HD12 LEU 36 2HD1 LEU 36 16.057 -9.694 3.575 269 HD13 LEU 36 3HD1 LEU 36 16.179 -11.134 4.585 270 HD21 LEU 36 3HD2 LEU 36 13.370 -11.367 3.394 271 HD22 LEU 36 1HD2 LEU 36 12.847 -11.576 5.066 272 HD23 LEU 36 2HD2 LEU 36 14.418 -12.191 4.551 273 H ALA 37 H ALA 37 15.189 -9.272 9.265 274 HA ALA 37 HA ALA 37 17.804 -8.567 8.622 275 HB1 ALA 37 1HB ALA 37 17.606 -7.341 10.461 276 HB2 ALA 37 2HB ALA 37 16.038 -8.099 10.740 277 HB3 ALA 37 3HB ALA 37 17.491 -8.782 11.470 278 H GLU 38 H GLU 38 16.542 -11.517 9.897 279 HA GLU 38 HA GLU 38 19.138 -12.448 10.818 280 HB2 GLU 38 2HB GLU 38 16.403 -13.724 10.774 281 HB3 GLU 38 3HB GLU 38 17.848 -14.566 11.316 282 HG2 GLU 38 2HG GLU 38 17.988 -13.384 13.248 283 HG3 GLU 38 3HG GLU 38 17.258 -11.940 12.550 284 H LEU 39 H LEU 39 17.243 -12.507 7.977 285 HA LEU 39 HA LEU 39 17.890 -14.907 6.777 286 HB2 LEU 39 2HB LEU 39 16.431 -12.919 5.967 287 HB3 LEU 39 3HB LEU 39 17.920 -12.359 5.209 288 HG LEU 39 HG LEU 39 16.482 -13.557 3.633 289 HD11 LEU 39 1HD1 LEU 39 18.226 -14.504 2.568 290 HD12 LEU 39 2HD1 LEU 39 18.691 -15.478 3.963 291 HD13 LEU 39 3HD1 LEU 39 19.152 -13.778 3.882 292 HD21 LEU 39 3HD2 LEU 39 15.980 -15.880 3.869 293 HD22 LEU 39 1HD2 LEU 39 15.460 -15.063 5.343 294 HD23 LEU 39 2HD2 LEU 39 16.955 -15.998 5.335 295 H GLY 40 H GLY 40 19.704 -11.842 6.547 296 HA2 GLY 40 2HA GLY 40 22.226 -12.566 6.929 297 HA3 GLY 40 3HA GLY 40 21.949 -13.259 5.338 298 H ALA 41 H ALA 41 22.933 -12.030 3.880 299 HA ALA 41 HA ALA 41 22.857 -9.109 4.206 300 HB1 ALA 41 1HB ALA 41 25.092 -9.863 4.042 301 HB2 ALA 41 2HB ALA 41 24.716 -10.906 2.670 302 HB3 ALA 41 3HB ALA 41 24.696 -9.154 2.476 303 H VAL 42 H VAL 42 22.413 -11.666 1.780 304 HA VAL 42 HA VAL 42 20.746 -9.785 0.237 305 HB VAL 42 HB VAL 42 22.903 -10.395 -0.891 306 HG11 VAL 42 1HG1 VAL 42 21.636 -13.128 -1.064 307 HG12 VAL 42 2HG1 VAL 42 23.137 -12.623 -1.841 308 HG13 VAL 42 3HG1 VAL 42 23.039 -12.708 -0.082 309 HG21 VAL 42 3HG2 VAL 42 21.687 -9.796 -2.655 310 HG22 VAL 42 1HG2 VAL 42 21.289 -11.498 -2.892 311 HG23 VAL 42 2HG2 VAL 42 20.222 -10.467 -1.939 312 H LEU 43 H LEU 43 18.792 -10.505 -0.503 313 HA LEU 43 HA LEU 43 17.728 -12.867 0.765 314 HB2 LEU 43 2HB LEU 43 16.320 -11.100 -1.216 315 HB3 LEU 43 3HB LEU 43 15.605 -12.138 0.016 316 HG LEU 43 HG LEU 43 17.001 -10.456 1.586 317 HD11 LEU 43 1HD1 LEU 43 16.652 -9.107 -1.015 318 HD12 LEU 43 2HD1 LEU 43 17.848 -8.843 0.254 319 HD13 LEU 43 3HD1 LEU 43 16.225 -8.172 0.418 320 HD21 LEU 43 3HD2 LEU 43 14.825 -10.674 2.200 321 HD22 LEU 43 1HD2 LEU 43 14.225 -10.505 0.550 322 HD23 LEU 43 2HD2 LEU 43 14.726 -9.077 1.457 323 HA PRO 44 HA PRO 44 18.111 -15.702 -2.566 324 HB2 PRO 44 2HB PRO 44 15.886 -17.216 -2.208 325 HB3 PRO 44 3HB PRO 44 17.288 -17.301 -1.136 326 HG2 PRO 44 2HG PRO 44 14.708 -15.830 -0.765 327 HG3 PRO 44 3HG PRO 44 15.628 -16.788 0.409 328 HD2 PRO 44 2HD PRO 44 15.722 -14.083 0.344 329 HD3 PRO 44 3HD PRO 44 17.109 -15.075 0.836 330 H HIS 45 H HIS 45 17.647 -15.706 -4.687 331 HA HIS 45 HA HIS 45 15.999 -13.861 -5.900 332 HB2 HIS 45 2HB HIS 45 16.170 -15.320 -7.938 333 HB3 HIS 45 3HB HIS 45 17.713 -14.948 -7.176 334 HD1 HIS 45 HD1 HIS 45 15.538 -17.747 -8.153 335 HD2 HIS 45 HD2 HIS 45 18.864 -17.157 -5.734 336 HE1 HIS 45 HE1 HIS 45 16.461 -20.043 -7.708 337 H GLY 46 H GLY 46 13.893 -13.666 -5.392 338 HA2 GLY 46 2HA GLY 46 11.730 -14.559 -6.296 339 HA3 GLY 46 3HA GLY 46 12.221 -16.095 -5.596 340 H THR 47 H THR 47 13.197 -13.554 -3.643 341 HA THR 47 HA THR 47 11.388 -14.282 -1.567 342 HB THR 47 HB THR 47 13.216 -11.875 -1.671 343 HG1 THR 47 HG1 THR 47 14.020 -14.255 -1.868 344 HG21 THR 47 3HG2 THR 47 13.150 -12.521 0.901 345 HG22 THR 47 1HG2 THR 47 11.572 -13.163 0.449 346 HG23 THR 47 2HG2 THR 47 11.940 -11.458 0.183 347 H ALA 48 H ALA 48 9.474 -13.444 -1.026 348 HA ALA 48 HA ALA 48 8.377 -11.306 -2.660 349 HB1 ALA 48 1HB ALA 48 6.252 -11.854 -1.503 350 HB2 ALA 48 2HB ALA 48 6.981 -13.232 -2.328 351 HB3 ALA 48 3HB ALA 48 7.116 -13.080 -0.576 352 H VAL 49 H VAL 49 8.949 -9.310 -2.042 353 HA VAL 49 HA VAL 49 8.705 -8.632 0.818 354 HB VAL 49 HB VAL 49 10.469 -7.224 -1.187 355 HG11 VAL 49 1HG1 VAL 49 10.583 -5.656 0.382 356 HG12 VAL 49 2HG1 VAL 49 9.607 -6.625 1.488 357 HG13 VAL 49 3HG1 VAL 49 11.358 -6.835 1.440 358 HG21 VAL 49 3HG2 VAL 49 12.192 -8.408 0.528 359 HG22 VAL 49 1HG2 VAL 49 10.923 -9.630 0.445 360 HG23 VAL 49 2HG2 VAL 49 11.725 -9.090 -1.030 361 H GLU 50 H GLU 50 7.655 -6.743 1.381 362 HA GLU 50 HA GLU 50 6.043 -5.537 -0.760 363 HB2 GLU 50 2HB GLU 50 4.708 -6.550 0.980 364 HB3 GLU 50 3HB GLU 50 5.593 -5.677 2.223 365 HG2 GLU 50 2HG GLU 50 4.646 -3.609 1.576 366 HG3 GLU 50 3HG GLU 50 3.983 -4.299 0.096 367 H LEU 51 H LEU 51 5.900 -3.319 -0.999 368 HA LEU 51 HA LEU 51 8.009 -1.789 0.365 369 HB2 LEU 51 2HB LEU 51 6.836 -1.703 -2.361 370 HB3 LEU 51 3HB LEU 51 7.384 -0.183 -1.656 371 HG LEU 51 HG LEU 51 9.631 -1.244 -1.335 372 HD11 LEU 51 1HD1 LEU 51 9.361 -3.525 -1.363 373 HD12 LEU 51 2HD1 LEU 51 9.933 -3.228 -3.005 374 HD13 LEU 51 3HD1 LEU 51 8.214 -3.483 -2.703 375 HD21 LEU 51 3HD2 LEU 51 9.901 -1.411 -4.008 376 HD22 LEU 51 1HD2 LEU 51 9.781 0.114 -3.129 377 HD23 LEU 51 2HD2 LEU 51 8.353 -0.570 -3.905 378 HA PRO 52 HA PRO 52 4.261 -0.020 2.267 379 HB2 PRO 52 2HB PRO 52 5.549 0.814 4.507 380 HB3 PRO 52 3HB PRO 52 4.965 -0.841 4.294 381 HG2 PRO 52 2HG PRO 52 7.726 0.257 3.927 382 HG3 PRO 52 3HG PRO 52 7.217 -1.254 4.704 383 HD2 PRO 52 2HD PRO 52 8.194 -1.172 2.181 384 HD3 PRO 52 3HD PRO 52 6.972 -2.353 2.693 385 H ASP 53 H ASP 53 3.832 2.193 3.078 386 HA ASP 53 HA ASP 53 3.836 4.448 2.783 387 HB2 ASP 53 2HB ASP 53 6.766 3.831 2.977 388 HB3 ASP 53 3HB ASP 53 6.234 5.472 2.621 389 H VAL 54 H VAL 54 3.498 2.823 0.476 390 HA VAL 54 HA VAL 54 4.653 4.579 -1.592 391 HB VAL 54 HB VAL 54 3.983 1.642 -1.821 392 HG11 VAL 54 1HG1 VAL 54 5.178 2.070 -4.111 393 HG12 VAL 54 2HG1 VAL 54 3.455 2.401 -3.928 394 HG13 VAL 54 3HG1 VAL 54 4.619 3.724 -3.861 395 HG21 VAL 54 3HG2 VAL 54 6.053 1.871 -0.698 396 HG22 VAL 54 1HG2 VAL 54 6.447 1.512 -2.379 397 HG23 VAL 54 2HG2 VAL 54 6.579 3.164 -1.776 398 H GLN 55 H GLN 55 3.313 5.296 -3.223 399 HA GLN 55 HA GLN 55 0.512 5.371 -2.600 400 HB2 GLN 55 2HB GLN 55 2.218 6.571 -4.761 401 HB3 GLN 55 3HB GLN 55 0.464 6.658 -4.847 402 HG2 GLN 55 2HG GLN 55 1.833 7.544 -2.358 403 HG3 GLN 55 3HG GLN 55 1.860 8.591 -3.776 404 HE21 GLN 55 1HE2 GLN 55 0.337 8.173 -0.994 405 HE22 GLN 55 2HE2 GLN 55 -1.250 8.724 -1.399 406 H THR 56 H THR 56 -1.160 4.908 -4.251 407 HA THR 56 HA THR 56 -0.704 2.269 -5.372 408 HB THR 56 HB THR 56 -2.787 2.842 -4.083 409 HG1 THR 56 HG1 THR 56 -4.164 1.789 -5.724 410 HG21 THR 56 3HG2 THR 56 -2.945 5.097 -5.427 411 HG22 THR 56 1HG2 THR 56 -4.405 4.266 -4.894 412 HG23 THR 56 2HG2 THR 56 -3.860 4.108 -6.564 413 H ALA 57 H ALA 57 0.034 5.177 -6.479 414 HA ALA 57 HA ALA 57 -1.111 4.979 -9.140 415 HB1 ALA 57 1HB ALA 57 0.996 6.957 -8.788 416 HB2 ALA 57 2HB ALA 57 -0.677 7.162 -9.311 417 HB3 ALA 57 3HB ALA 57 -0.292 7.100 -7.591 418 HA PRO 58 HA PRO 58 2.223 2.955 -11.149 419 HB2 PRO 58 2HB PRO 58 2.393 4.301 -13.501 420 HB3 PRO 58 3HB PRO 58 1.063 3.202 -13.117 421 HG2 PRO 58 2HG PRO 58 1.159 6.189 -12.951 422 HG3 PRO 58 3HG PRO 58 -0.134 5.144 -13.568 423 HD2 PRO 58 2HD PRO 58 -0.210 6.252 -11.099 424 HD3 PRO 58 3HD PRO 58 -0.929 4.669 -11.457 425 H VAL 59 H VAL 59 4.313 3.445 -12.454 426 HA VAL 59 HA VAL 59 5.621 5.901 -11.549 427 HB VAL 59 HB VAL 59 6.970 3.230 -11.195 428 HG11 VAL 59 1HG1 VAL 59 8.079 5.029 -9.451 429 HG12 VAL 59 2HG1 VAL 59 8.733 4.599 -11.033 430 HG13 VAL 59 3HG1 VAL 59 7.719 6.031 -10.856 431 HG21 VAL 59 3HG2 VAL 59 5.313 4.805 -9.245 432 HG22 VAL 59 1HG2 VAL 59 5.184 3.099 -9.672 433 HG23 VAL 59 2HG2 VAL 59 6.554 3.669 -8.719 434 H ALA 60 H ALA 60 7.507 6.458 -12.741 435 HA ALA 60 HA ALA 60 7.357 5.870 -15.494 436 HB1 ALA 60 1HB ALA 60 8.338 7.885 -15.298 437 HB2 ALA 60 2HB ALA 60 9.085 7.489 -13.750 438 HB3 ALA 60 3HB ALA 60 9.827 6.942 -15.253 439 H GLU 61 H GLU 61 8.783 4.174 -12.925 440 HA GLU 61 HA GLU 61 10.776 2.858 -14.591 441 HB2 GLU 61 2HB GLU 61 10.100 2.770 -11.665 442 HB3 GLU 61 3HB GLU 61 11.128 1.539 -12.386 443 HG2 GLU 61 2HG GLU 61 12.786 3.111 -12.956 444 HG3 GLU 61 3HG GLU 61 11.709 4.471 -12.643 445 H THR 62 H THR 62 7.623 2.289 -13.229 446 HA THR 62 HA THR 62 7.378 -0.134 -14.818 447 HB THR 62 HB THR 62 6.388 -1.400 -12.891 448 HG1 THR 62 HG1 THR 62 6.368 -0.525 -10.949 449 HG21 THR 62 3HG2 THR 62 8.643 -1.893 -13.660 450 HG22 THR 62 1HG2 THR 62 8.558 -2.029 -11.904 451 HG23 THR 62 2HG2 THR 62 9.293 -0.607 -12.644 452 H VAL 63 H VAL 63 5.376 -0.378 -15.639 453 HA VAL 63 HA VAL 63 3.240 1.341 -14.553 454 HB VAL 63 HB VAL 63 4.033 2.145 -16.742 455 HG11 VAL 63 1HG1 VAL 63 2.877 -0.176 -18.164 456 HG12 VAL 63 2HG1 VAL 63 4.233 0.866 -18.602 457 HG13 VAL 63 3HG1 VAL 63 4.451 -0.412 -17.406 458 HG21 VAL 63 3HG2 VAL 63 1.648 2.356 -16.011 459 HG22 VAL 63 1HG2 VAL 63 1.887 2.395 -17.758 460 HG23 VAL 63 2HG2 VAL 63 1.286 0.930 -16.982 461 H ASN 64 H ASN 64 4.104 -1.753 -15.951 462 HA ASN 64 HA ASN 64 1.629 -2.912 -16.331 463 HB2 ASN 64 2HB ASN 64 4.023 -3.851 -16.737 464 HB3 ASN 64 3HB ASN 64 3.873 -4.485 -15.101 465 HD21 ASN 64 1HD2 ASN 64 3.033 -4.870 -18.373 466 HD22 ASN 64 2HD2 ASN 64 2.038 -6.272 -18.196 467 H LEU 65 H LEU 65 0.473 -4.493 -15.005 468 HA LEU 65 HA LEU 65 0.673 -3.933 -12.122 469 HB2 LEU 65 2HB LEU 65 -1.953 -4.471 -13.452 470 HB3 LEU 65 3HB LEU 65 -1.631 -3.707 -11.896 471 HG LEU 65 HG LEU 65 -1.015 -2.431 -14.558 472 HD11 LEU 65 1HD1 LEU 65 -3.438 -2.222 -12.790 473 HD12 LEU 65 2HD1 LEU 65 -3.368 -2.659 -14.496 474 HD13 LEU 65 3HD1 LEU 65 -3.014 -1.005 -13.995 475 HD21 LEU 65 3HD2 LEU 65 0.272 -1.694 -12.532 476 HD22 LEU 65 1HD2 LEU 65 -1.262 -1.182 -11.829 477 HD23 LEU 65 2HD2 LEU 65 -0.679 -0.431 -13.315 478 H TRP 66 H TRP 66 1.019 -5.704 -10.971 479 HA TRP 66 HA TRP 66 0.127 -8.289 -12.069 480 HB2 TRP 66 2HB TRP 66 2.576 -7.583 -10.456 481 HB3 TRP 66 3HB TRP 66 2.008 -9.242 -10.628 482 HD1 TRP 66 HD1 TRP 66 1.379 -9.494 -13.623 483 HE1 TRP 66 HE1 TRP 66 3.214 -9.270 -15.414 484 HE3 TRP 66 HE3 TRP 66 4.835 -6.869 -10.921 485 HZ2 TRP 66 HZ2 TRP 66 5.786 -8.132 -15.650 486 HZ3 TRP 66 HZ3 TRP 66 6.957 -6.252 -12.003 487 HH2 TRP 66 HH2 TRP 66 7.421 -6.872 -14.319 488 H GLU 67 H GLU 67 0.149 -6.155 -9.343 489 HA GLU 67 HA GLU 67 -1.256 -8.169 -7.722 490 HB2 GLU 67 2HB GLU 67 -0.776 -6.529 -5.828 491 HB3 GLU 67 3HB GLU 67 0.599 -7.397 -6.494 492 HG2 GLU 67 2HG GLU 67 -0.086 -4.709 -7.575 493 HG3 GLU 67 3HG GLU 67 0.738 -4.836 -6.022 494 H VAL 68 H VAL 68 -3.303 -7.913 -8.621 495 HA VAL 68 HA VAL 68 -4.565 -5.286 -8.178 496 HB VAL 68 HB VAL 68 -6.275 -6.047 -9.859 497 HG11 VAL 68 1HG1 VAL 68 -4.562 -4.457 -10.474 498 HG12 VAL 68 2HG1 VAL 68 -3.418 -5.765 -10.784 499 HG13 VAL 68 3HG1 VAL 68 -4.840 -5.574 -11.811 500 HG21 VAL 68 3HG2 VAL 68 -4.581 -7.898 -11.241 501 HG22 VAL 68 1HG2 VAL 68 -4.890 -8.482 -9.605 502 HG23 VAL 68 2HG2 VAL 68 -6.239 -8.112 -10.679 503 H GLU 69 H GLU 69 -4.785 -8.736 -7.675 504 HA GLU 69 HA GLU 69 -6.179 -10.038 -6.427 505 HB2 GLU 69 2HB GLU 69 -5.154 -8.298 -4.763 506 HB3 GLU 69 3HB GLU 69 -6.789 -7.652 -4.720 507 HG2 GLU 69 2HG GLU 69 -7.665 -9.638 -3.818 508 HG3 GLU 69 3HG GLU 69 -6.199 -10.544 -4.189 509 H HIS 70 H HIS 70 -7.361 -8.641 -8.671 510 HA HIS 70 HA HIS 70 -10.102 -8.184 -7.712 511 HB2 HIS 70 2HB HIS 70 -8.690 -7.363 -10.250 512 HB3 HIS 70 3HB HIS 70 -10.434 -7.231 -10.049 513 HD1 HIS 70 HD1 HIS 70 -9.777 -6.382 -6.874 514 HD2 HIS 70 HD2 HIS 70 -8.712 -4.495 -10.419 515 HE1 HIS 70 HE1 HIS 70 -9.353 -3.981 -6.257 516 H HIS 71 H HIS 71 -11.826 -9.325 -8.542 517 HA HIS 71 HA HIS 71 -11.122 -11.833 -9.872 518 HB2 HIS 71 2HB HIS 71 -13.668 -10.977 -8.480 519 HB3 HIS 71 3HB HIS 71 -13.399 -12.561 -9.202 520 HD1 HIS 71 HD1 HIS 71 -11.102 -13.773 -8.129 521 HD2 HIS 71 HD2 HIS 71 -13.132 -10.963 -5.839 522 HE1 HIS 71 HE1 HIS 71 -10.390 -14.199 -5.755 Start of MODEL 16 1 H1 MET 1 H MET 1 1.091 -0.693 3.004 2 HA MET 1 HA MET 1 0.163 -1.893 0.620 3 HB2 MET 1 2HB MET 1 0.948 0.286 -0.305 4 HB3 MET 1 3HB MET 1 2.565 -0.092 0.274 5 HG2 MET 1 2HG MET 1 2.652 -0.698 -1.951 6 HG3 MET 1 3HG MET 1 2.340 -2.229 -1.135 7 HE1 MET 1 3HE MET 1 0.220 -3.194 -4.041 8 HE2 MET 1 1HE MET 1 1.605 -2.152 -4.367 9 HE3 MET 1 2HE MET 1 1.707 -3.387 -3.112 10 H LYS 2 H LYS 2 0.664 -3.888 1.290 11 HA LYS 2 HA LYS 2 3.492 -4.480 1.802 12 HB2 LYS 2 2HB LYS 2 1.290 -5.756 3.415 13 HB3 LYS 2 3HB LYS 2 3.023 -5.813 3.708 14 HG2 LYS 2 2HG LYS 2 2.692 -3.188 3.902 15 HG3 LYS 2 3HG LYS 2 1.057 -3.690 4.339 16 HD2 LYS 2 2HD LYS 2 3.489 -4.898 5.626 17 HD3 LYS 2 3HD LYS 2 2.750 -3.414 6.234 18 HE2 LYS 2 2HE LYS 2 1.030 -5.801 5.752 19 HE3 LYS 2 3HE LYS 2 2.055 -5.763 7.186 20 HZ1 LYS 2 3HZ LYS 2 0.058 -3.690 6.455 21 HZ2 LYS 2 1HZ LYS 2 1.014 -3.701 7.850 22 HZ3 LYS 2 2HZ LYS 2 -0.165 -4.891 7.624 23 H THR 3 H THR 3 4.135 -6.618 1.298 24 HA THR 3 HA THR 3 2.191 -8.364 0.010 25 HB THR 3 HB THR 3 2.839 -7.123 -1.904 26 HG1 THR 3 HG1 THR 3 3.240 -8.895 -2.982 27 HG21 THR 3 3HG2 THR 3 5.612 -7.415 -2.162 28 HG22 THR 3 1HG2 THR 3 5.347 -6.879 -0.504 29 HG23 THR 3 2HG2 THR 3 4.720 -5.927 -1.849 30 H PHE 4 H PHE 4 3.033 -10.511 -0.418 31 HA PHE 4 HA PHE 4 4.788 -11.387 1.672 32 HB2 PHE 4 2HB PHE 4 3.774 -13.070 -0.617 33 HB3 PHE 4 3HB PHE 4 4.244 -13.601 0.995 34 HD1 PHE 4 HD1 PHE 4 2.845 -12.001 2.837 35 HD2 PHE 4 HD2 PHE 4 1.536 -13.370 -0.974 36 HE1 PHE 4 HE1 PHE 4 0.507 -11.820 3.580 37 HE2 PHE 4 HE2 PHE 4 -0.805 -13.190 -0.238 38 HZ PHE 4 HZ PHE 4 -1.322 -12.414 2.041 39 H ALA 5 H ALA 5 6.863 -12.102 1.546 40 HA ALA 5 HA ALA 5 8.315 -11.430 -0.894 41 HB1 ALA 5 1HB ALA 5 9.110 -10.577 1.285 42 HB2 ALA 5 2HB ALA 5 9.405 -12.239 1.798 43 HB3 ALA 5 3HB ALA 5 10.314 -11.558 0.449 44 H LEU 6 H LEU 6 8.227 -13.043 -2.352 45 HA LEU 6 HA LEU 6 8.645 -15.800 -1.444 46 HB2 LEU 6 2HB LEU 6 7.969 -15.049 -4.256 47 HB3 LEU 6 3HB LEU 6 7.607 -16.535 -3.380 48 HG LEU 6 HG LEU 6 6.276 -13.884 -2.836 49 HD11 LEU 6 1HD1 LEU 6 4.781 -16.084 -4.109 50 HD12 LEU 6 2HD1 LEU 6 5.948 -15.243 -5.129 51 HD13 LEU 6 3HD1 LEU 6 4.657 -14.340 -4.338 52 HD21 LEU 6 3HD2 LEU 6 5.062 -14.922 -1.242 53 HD22 LEU 6 1HD2 LEU 6 6.460 -15.995 -1.179 54 HD23 LEU 6 2HD2 LEU 6 5.034 -16.458 -2.109 55 H GLN 7 H GLN 7 9.735 -17.067 -3.492 56 HA GLN 7 HA GLN 7 12.446 -16.583 -3.330 57 HB2 GLN 7 2HB GLN 7 10.742 -18.376 -4.735 58 HB3 GLN 7 3HB GLN 7 11.912 -17.740 -5.883 59 HG2 GLN 7 2HG GLN 7 13.740 -18.478 -4.512 60 HG3 GLN 7 3HG GLN 7 12.629 -18.982 -3.239 61 HE21 GLN 7 1HE2 GLN 7 13.988 -20.974 -3.649 62 HE22 GLN 7 2HE2 GLN 7 13.369 -22.105 -4.799 63 H GLY 8 H GLY 8 13.668 -14.972 -4.041 64 HA2 GLY 8 2HA GLY 8 14.532 -13.349 -5.425 65 HA3 GLY 8 3HA GLY 8 13.530 -13.998 -6.714 66 H ASP 9 H ASP 9 11.988 -13.052 -3.777 67 HA ASP 9 HA ASP 9 11.097 -10.547 -5.044 68 HB2 ASP 9 2HB ASP 9 9.488 -12.728 -3.768 69 HB3 ASP 9 3HB ASP 9 8.908 -11.066 -3.692 70 H THR 10 H THR 10 13.175 -11.163 -2.998 71 HA THR 10 HA THR 10 12.214 -10.291 -0.464 72 HB THR 10 HB THR 10 14.438 -10.342 0.283 73 HG1 THR 10 HG1 THR 10 15.281 -10.134 -2.435 74 HG21 THR 10 3HG2 THR 10 14.553 -12.280 -2.017 75 HG22 THR 10 1HG2 THR 10 13.508 -12.535 -0.620 76 HG23 THR 10 2HG2 THR 10 15.257 -12.447 -0.409 77 H LEU 11 H LEU 11 13.528 -8.341 0.565 78 HA LEU 11 HA LEU 11 12.442 -5.993 -0.364 79 HB2 LEU 11 2HB LEU 11 15.076 -6.165 1.081 80 HB3 LEU 11 3HB LEU 11 13.925 -4.830 1.102 81 HG LEU 11 HG LEU 11 13.564 -7.544 2.371 82 HD11 LEU 11 1HD1 LEU 11 14.900 -6.427 3.852 83 HD12 LEU 11 2HD1 LEU 11 13.313 -5.879 4.390 84 HD13 LEU 11 3HD1 LEU 11 14.304 -4.839 3.367 85 HD21 LEU 11 3HD2 LEU 11 11.620 -5.647 1.471 86 HD22 LEU 11 1HD2 LEU 11 11.601 -5.722 3.233 87 HD23 LEU 11 2HD2 LEU 11 11.376 -7.193 2.286 88 H ASP 12 H ASP 12 15.686 -7.279 -1.014 89 HA ASP 12 HA ASP 12 16.708 -5.169 -2.495 90 HB2 ASP 12 2HB ASP 12 17.194 -8.139 -2.631 91 HB3 ASP 12 3HB ASP 12 18.060 -7.012 -3.672 92 H ALA 13 H ALA 13 14.441 -7.663 -3.416 93 HA ALA 13 HA ALA 13 14.543 -6.935 -6.225 94 HB1 ALA 13 1HB ALA 13 12.924 -8.704 -6.558 95 HB2 ALA 13 2HB ALA 13 14.255 -9.286 -5.556 96 HB3 ALA 13 3HB ALA 13 12.709 -8.869 -4.815 97 H ILE 14 H ILE 14 11.976 -7.067 -3.745 98 HA ILE 14 HA ILE 14 9.985 -5.759 -5.116 99 HB ILE 14 HB ILE 14 10.608 -5.586 -2.167 100 HG12 ILE 14 2HG1 ILE 14 8.560 -7.288 -3.591 101 HG13 ILE 14 3HG1 ILE 14 10.175 -7.860 -3.190 102 HG21 ILE 14 1HG2 ILE 14 8.114 -4.822 -3.676 103 HG22 ILE 14 2HG2 ILE 14 8.219 -4.971 -1.923 104 HG23 ILE 14 3HG2 ILE 14 9.174 -3.749 -2.763 105 HD11 ILE 14 3HD1 ILE 14 8.580 -8.612 -1.546 106 HD12 ILE 14 1HD1 ILE 14 9.703 -7.464 -0.816 107 HD13 ILE 14 2HD1 ILE 14 8.070 -6.951 -1.243 108 H CYS 15 H CYS 15 12.615 -4.333 -3.219 109 HA CYS 15 HA CYS 15 11.848 -1.676 -3.267 110 HB2 CYS 15 2HB CYS 15 14.514 -3.044 -3.194 111 HB3 CYS 15 3HB CYS 15 14.442 -1.292 -3.344 112 HG CYS 15 HG CYS 15 12.570 -1.422 -0.963 113 H VAL 16 H VAL 16 13.308 -3.621 -5.787 114 HA VAL 16 HA VAL 16 13.738 -1.341 -7.525 115 HB VAL 16 HB VAL 16 14.023 -4.293 -8.103 116 HG11 VAL 16 1HG1 VAL 16 13.863 -3.405 -10.208 117 HG12 VAL 16 2HG1 VAL 16 14.499 -1.835 -9.714 118 HG13 VAL 16 3HG1 VAL 16 15.590 -3.206 -9.916 119 HG21 VAL 16 3HG2 VAL 16 16.519 -3.000 -8.065 120 HG22 VAL 16 1HG2 VAL 16 15.662 -2.474 -6.616 121 HG23 VAL 16 2HG2 VAL 16 15.903 -4.194 -6.923 122 H ARG 17 H ARG 17 11.262 -3.630 -6.875 123 HA ARG 17 HA ARG 17 9.957 -3.310 -9.443 124 HB2 ARG 17 2HB ARG 17 8.999 -4.687 -6.927 125 HB3 ARG 17 3HB ARG 17 8.228 -4.776 -8.505 126 HG2 ARG 17 2HG ARG 17 10.484 -5.709 -9.318 127 HG3 ARG 17 3HG ARG 17 10.814 -5.977 -7.605 128 HD2 ARG 17 2HD ARG 17 9.749 -7.922 -7.846 129 HD3 ARG 17 3HD ARG 17 8.265 -6.974 -7.926 130 HE ARG 17 HE ARG 17 9.584 -7.254 -10.461 131 HH11 ARG 17 1HH1 ARG 17 7.361 -8.721 -8.220 132 HH12 ARG 17 2HH1 ARG 17 6.553 -9.658 -9.433 133 HH21 ARG 17 1HH2 ARG 17 8.529 -8.483 -12.067 134 HH22 ARG 17 2HH2 ARG 17 7.218 -9.522 -11.621 135 H TYR 18 H TYR 18 9.972 -1.772 -6.388 136 HA TYR 18 HA TYR 18 7.430 -0.414 -6.978 137 HB2 TYR 18 2HB TYR 18 8.918 -0.927 -4.419 138 HB3 TYR 18 3HB TYR 18 7.732 0.370 -4.522 139 HD1 TYR 18 HD2 TYR 18 7.929 -3.212 -5.599 140 HD2 TYR 18 HD1 TYR 18 5.669 -0.169 -3.665 141 HE1 TYR 18 HE2 TYR 18 6.129 -4.832 -5.166 142 HE2 TYR 18 HE1 TYR 18 3.864 -1.781 -3.225 143 HH TYR 18 HH TYR 18 4.019 -5.094 -4.459 144 H TYR 19 H TYR 19 10.537 0.384 -5.413 145 HA TYR 19 HA TYR 19 10.281 3.145 -6.255 146 HB2 TYR 19 2HB TYR 19 12.651 1.920 -4.853 147 HB3 TYR 19 3HB TYR 19 12.134 3.602 -4.847 148 HD1 TYR 19 HD1 TYR 19 10.215 4.308 -3.485 149 HD2 TYR 19 HD2 TYR 19 11.652 0.304 -3.376 150 HE1 TYR 19 HE1 TYR 19 8.955 3.918 -1.408 151 HE2 TYR 19 HE2 TYR 19 10.395 -0.096 -1.300 152 HH TYR 19 HH TYR 19 9.463 1.226 0.571 153 H GLY 20 H GLY 20 12.232 0.318 -7.022 154 HA2 GLY 20 2HA GLY 20 13.186 -0.074 -9.147 155 HA3 GLY 20 3HA GLY 20 13.098 1.650 -9.478 156 H ARG 21 H ARG 21 14.339 0.857 -6.405 157 HA ARG 21 HA ARG 21 17.072 0.503 -7.149 158 HB2 ARG 21 2HB ARG 21 17.980 2.605 -6.586 159 HB3 ARG 21 3HB ARG 21 16.607 2.964 -7.624 160 HG2 ARG 21 2HG ARG 21 16.477 3.033 -4.621 161 HG3 ARG 21 3HG ARG 21 16.851 4.439 -5.620 162 HD2 ARG 21 2HD ARG 21 14.314 2.815 -5.614 163 HD3 ARG 21 3HD ARG 21 14.515 4.488 -5.095 164 HE ARG 21 HE ARG 21 14.096 3.566 -7.753 165 HH11 ARG 21 1HH1 ARG 21 15.712 6.014 -5.878 166 HH12 ARG 21 2HH1 ARG 21 15.721 7.177 -7.163 167 HH21 ARG 21 1HH2 ARG 21 14.101 5.089 -9.452 168 HH22 ARG 21 2HH2 ARG 21 14.804 6.650 -9.195 169 H THR 22 H THR 22 18.525 0.715 -5.176 170 HA THR 22 HA THR 22 17.020 -0.071 -2.765 171 HB THR 22 HB THR 22 19.220 -1.339 -2.209 172 HG1 THR 22 HG1 THR 22 19.392 -1.210 -5.053 173 HG21 THR 22 3HG2 THR 22 18.242 -3.056 -4.183 174 HG22 THR 22 1HG2 THR 22 16.863 -2.064 -3.711 175 HG23 THR 22 2HG2 THR 22 17.743 -2.987 -2.493 176 H GLU 23 H GLU 23 19.680 1.757 -4.095 177 HA GLU 23 HA GLU 23 20.990 2.481 -1.731 178 HB2 GLU 23 2HB GLU 23 21.808 4.443 -3.029 179 HB3 GLU 23 3HB GLU 23 22.015 2.910 -3.865 180 HG2 GLU 23 2HG GLU 23 19.811 3.458 -5.034 181 HG3 GLU 23 3HG GLU 23 20.046 5.095 -4.424 182 H GLY 24 H GLY 24 20.106 3.416 -0.012 183 HA2 GLY 24 2HA GLY 24 19.147 5.153 1.202 184 HA3 GLY 24 3HA GLY 24 18.667 5.908 -0.310 185 H VAL 25 H VAL 25 17.657 2.845 -0.646 186 HA VAL 25 HA VAL 25 14.972 3.506 0.355 187 HB VAL 25 HB VAL 25 15.747 1.452 -1.720 188 HG11 VAL 25 1HG1 VAL 25 13.013 2.384 -1.758 189 HG12 VAL 25 2HG1 VAL 25 13.640 0.736 -1.681 190 HG13 VAL 25 3HG1 VAL 25 13.427 1.671 -0.200 191 HG21 VAL 25 3HG2 VAL 25 16.200 3.538 -2.703 192 HG22 VAL 25 1HG2 VAL 25 14.582 3.115 -3.263 193 HG23 VAL 25 2HG2 VAL 25 14.786 4.289 -1.963 194 H VAL 26 H VAL 26 17.191 0.739 0.018 195 HA VAL 26 HA VAL 26 15.795 -1.146 1.469 196 HB VAL 26 HB VAL 26 17.975 -2.191 1.988 197 HG11 VAL 26 1HG1 VAL 26 17.430 -1.187 -0.785 198 HG12 VAL 26 2HG1 VAL 26 18.784 -2.268 -0.448 199 HG13 VAL 26 3HG1 VAL 26 17.133 -2.787 -0.106 200 HG21 VAL 26 3HG2 VAL 26 19.040 0.417 0.932 201 HG22 VAL 26 1HG2 VAL 26 19.375 -0.356 2.482 202 HG23 VAL 26 2HG2 VAL 26 20.012 -1.053 0.992 203 H GLU 27 H GLU 27 17.797 1.500 2.637 204 HA GLU 27 HA GLU 27 18.030 0.741 5.315 205 HB2 GLU 27 2HB GLU 27 18.880 2.865 3.829 206 HB3 GLU 27 3HB GLU 27 17.658 3.623 4.840 207 HG2 GLU 27 2HG GLU 27 18.912 2.339 6.756 208 HG3 GLU 27 3HG GLU 27 20.243 2.371 5.602 209 H THR 28 H THR 28 15.493 2.573 3.661 210 HA THR 28 HA THR 28 13.977 3.249 5.923 211 HB THR 28 HB THR 28 12.529 2.654 3.395 212 HG1 THR 28 HG1 THR 28 14.413 4.783 3.632 213 HG21 THR 28 3HG2 THR 28 11.083 4.051 4.350 214 HG22 THR 28 1HG2 THR 28 12.289 5.336 4.312 215 HG23 THR 28 2HG2 THR 28 12.184 4.266 5.710 216 H VAL 29 H VAL 29 13.709 0.476 3.711 217 HA VAL 29 HA VAL 29 11.496 -0.733 4.943 218 HB VAL 29 HB VAL 29 13.724 -2.183 3.513 219 HG11 VAL 29 1HG1 VAL 29 11.812 -3.681 2.851 220 HG12 VAL 29 2HG1 VAL 29 12.253 -3.725 4.559 221 HG13 VAL 29 3HG1 VAL 29 10.830 -2.823 4.037 222 HG21 VAL 29 3HG2 VAL 29 12.177 -1.876 1.505 223 HG22 VAL 29 1HG2 VAL 29 11.411 -0.594 2.443 224 HG23 VAL 29 2HG2 VAL 29 13.118 -0.476 2.018 225 H LEU 30 H LEU 30 14.870 -0.697 5.770 226 HA LEU 30 HA LEU 30 14.870 -2.977 7.464 227 HB2 LEU 30 2HB LEU 30 16.692 -0.782 6.802 228 HB3 LEU 30 3HB LEU 30 16.852 -1.377 8.453 229 HG LEU 30 HG LEU 30 18.452 -2.476 7.017 230 HD11 LEU 30 1HD1 LEU 30 16.248 -4.429 7.641 231 HD12 LEU 30 2HD1 LEU 30 17.318 -3.736 8.860 232 HD13 LEU 30 3HD1 LEU 30 17.983 -4.741 7.573 233 HD21 LEU 30 3HD2 LEU 30 17.607 -2.379 4.859 234 HD22 LEU 30 1HD2 LEU 30 16.038 -3.029 5.335 235 HD23 LEU 30 2HD2 LEU 30 17.446 -4.089 5.264 236 H ALA 31 H ALA 31 14.529 0.503 8.084 237 HA ALA 31 HA ALA 31 14.257 0.248 10.897 238 HB1 ALA 31 1HB ALA 31 14.941 2.345 9.930 239 HB2 ALA 31 2HB ALA 31 13.425 2.470 9.037 240 HB3 ALA 31 3HB ALA 31 13.423 2.576 10.798 241 H ALA 32 H ALA 32 12.006 0.111 8.224 242 HA ALA 32 HA ALA 32 9.672 0.238 9.923 243 HB1 ALA 32 1HB ALA 32 8.405 -0.105 7.872 244 HB2 ALA 32 2HB ALA 32 9.610 1.166 7.659 245 HB3 ALA 32 3HB ALA 32 9.898 -0.441 6.993 246 H ASN 33 H ASN 33 11.752 -2.195 8.611 247 HA ASN 33 HA ASN 33 10.026 -4.261 9.797 248 HB2 ASN 33 2HB ASN 33 11.531 -4.448 7.178 249 HB3 ASN 33 3HB ASN 33 10.733 -5.803 7.972 250 HD21 ASN 33 1HD2 ASN 33 10.373 -3.118 5.928 251 HD22 ASN 33 2HD2 ASN 33 8.663 -3.220 5.701 252 HA PRO 34 HA PRO 34 14.306 -4.408 11.580 253 HB2 PRO 34 2HB PRO 34 13.473 -4.694 14.148 254 HB3 PRO 34 3HB PRO 34 13.674 -3.118 13.374 255 HG2 PRO 34 2HG PRO 34 11.177 -4.711 13.807 256 HG3 PRO 34 3HG PRO 34 11.445 -2.971 14.019 257 HD2 PRO 34 2HD PRO 34 10.235 -4.002 11.827 258 HD3 PRO 34 3HD PRO 34 11.235 -2.536 11.766 259 H GLY 35 H GLY 35 15.410 -6.253 12.050 260 HA2 GLY 35 2HA GLY 35 15.620 -8.441 12.976 261 HA3 GLY 35 3HA GLY 35 13.883 -8.647 12.803 262 H LEU 36 H LEU 36 14.251 -7.404 10.007 263 HA LEU 36 HA LEU 36 14.392 -9.890 8.620 264 HB2 LEU 36 2HB LEU 36 13.318 -7.421 8.104 265 HB3 LEU 36 3HB LEU 36 14.693 -7.474 7.002 266 HG LEU 36 HG LEU 36 12.602 -8.199 5.937 267 HD11 LEU 36 1HD1 LEU 36 13.657 -9.735 4.673 268 HD12 LEU 36 2HD1 LEU 36 14.111 -10.725 6.059 269 HD13 LEU 36 3HD1 LEU 36 15.049 -9.287 5.658 270 HD21 LEU 36 3HD2 LEU 36 11.154 -9.443 7.067 271 HD22 LEU 36 1HD2 LEU 36 12.323 -9.687 8.365 272 HD23 LEU 36 2HD2 LEU 36 12.291 -10.790 6.989 273 H ALA 37 H ALA 37 16.699 -7.507 9.509 274 HA ALA 37 HA ALA 37 18.617 -8.024 7.464 275 HB1 ALA 37 1HB ALA 37 19.812 -7.077 9.904 276 HB2 ALA 37 2HB ALA 37 19.634 -6.260 8.351 277 HB3 ALA 37 3HB ALA 37 18.337 -6.181 9.543 278 H GLU 38 H GLU 38 17.547 -9.863 10.046 279 HA GLU 38 HA GLU 38 20.097 -11.161 10.566 280 HB2 GLU 38 2HB GLU 38 17.336 -11.418 11.719 281 HB3 GLU 38 3HB GLU 38 18.555 -12.645 12.031 282 HG2 GLU 38 2HG GLU 38 19.932 -11.144 13.188 283 HG3 GLU 38 3HG GLU 38 19.060 -9.741 12.573 284 H LEU 39 H LEU 39 17.116 -11.725 8.830 285 HA LEU 39 HA LEU 39 17.223 -14.450 8.392 286 HB2 LEU 39 2HB LEU 39 15.771 -12.281 7.394 287 HB3 LEU 39 3HB LEU 39 16.472 -13.062 5.978 288 HG LEU 39 HG LEU 39 15.396 -15.153 6.556 289 HD11 LEU 39 1HD1 LEU 39 15.087 -13.854 9.124 290 HD12 LEU 39 2HD1 LEU 39 14.987 -15.563 8.702 291 HD13 LEU 39 3HD1 LEU 39 13.566 -14.531 8.540 292 HD21 LEU 39 3HD2 LEU 39 14.084 -13.739 5.177 293 HD22 LEU 39 1HD2 LEU 39 13.601 -12.736 6.545 294 HD23 LEU 39 2HD2 LEU 39 13.000 -14.389 6.408 295 H GLY 40 H GLY 40 18.668 -11.887 6.373 296 HA2 GLY 40 2HA GLY 40 20.678 -11.952 5.208 297 HA3 GLY 40 3HA GLY 40 20.891 -13.618 5.723 298 H ALA 41 H ALA 41 20.009 -15.295 4.489 299 HA ALA 41 HA ALA 41 20.024 -14.928 1.718 300 HB1 ALA 41 1HB ALA 41 19.301 -17.217 1.549 301 HB2 ALA 41 2HB ALA 41 20.462 -17.075 2.870 302 HB3 ALA 41 3HB ALA 41 18.738 -17.203 3.220 303 H VAL 42 H VAL 42 17.937 -16.151 0.558 304 HA VAL 42 HA VAL 42 16.030 -14.169 0.244 305 HB VAL 42 HB VAL 42 16.430 -16.077 -1.327 306 HG11 VAL 42 1HG1 VAL 42 14.433 -17.747 0.053 307 HG12 VAL 42 2HG1 VAL 42 15.862 -18.213 -0.872 308 HG13 VAL 42 3HG1 VAL 42 16.028 -17.683 0.802 309 HG21 VAL 42 3HG2 VAL 42 13.560 -15.619 -0.512 310 HG22 VAL 42 1HG2 VAL 42 14.510 -14.585 -1.579 311 HG23 VAL 42 2HG2 VAL 42 14.108 -16.229 -2.074 312 H LEU 43 H LEU 43 13.874 -13.942 0.917 313 HA LEU 43 HA LEU 43 13.401 -14.796 3.633 314 HB2 LEU 43 2HB LEU 43 11.340 -13.372 2.026 315 HB3 LEU 43 3HB LEU 43 11.765 -13.190 3.727 316 HG LEU 43 HG LEU 43 13.352 -12.140 1.384 317 HD11 LEU 43 1HD1 LEU 43 12.644 -9.986 2.840 318 HD12 LEU 43 2HD1 LEU 43 11.231 -11.011 3.086 319 HD13 LEU 43 3HD1 LEU 43 11.732 -10.579 1.451 320 HD21 LEU 43 3HD2 LEU 43 13.794 -11.940 4.359 321 HD22 LEU 43 1HD2 LEU 43 14.638 -10.962 3.158 322 HD23 LEU 43 2HD2 LEU 43 14.844 -12.714 3.171 323 HA PRO 44 HA PRO 44 10.780 -18.234 2.867 324 HB2 PRO 44 2HB PRO 44 9.035 -18.037 4.937 325 HB3 PRO 44 3HB PRO 44 10.717 -18.541 5.143 326 HG2 PRO 44 2HG PRO 44 9.475 -15.856 5.602 327 HG3 PRO 44 3HG PRO 44 10.657 -16.727 6.597 328 HD2 PRO 44 2HD PRO 44 11.361 -14.729 4.910 329 HD3 PRO 44 3HD PRO 44 12.428 -16.105 5.259 330 H HIS 45 H HIS 45 9.397 -18.302 1.214 331 HA HIS 45 HA HIS 45 7.686 -16.308 0.368 332 HB2 HIS 45 2HB HIS 45 6.520 -18.078 -0.927 333 HB3 HIS 45 3HB HIS 45 8.273 -18.169 -1.071 334 HD1 HIS 45 HD1 HIS 45 5.340 -20.140 -0.156 335 HD2 HIS 45 HD2 HIS 45 9.435 -20.310 0.524 336 HE1 HIS 45 HE1 HIS 45 5.795 -22.486 0.628 337 H GLY 46 H GLY 46 5.978 -15.419 1.311 338 HA2 GLY 46 2HA GLY 46 3.616 -15.977 1.958 339 HA3 GLY 46 3HA GLY 46 4.335 -17.110 3.093 340 H THR 47 H THR 47 6.492 -14.815 3.299 341 HA THR 47 HA THR 47 5.224 -13.599 5.617 342 HB THR 47 HB THR 47 8.064 -13.424 4.595 343 HG1 THR 47 HG1 THR 47 7.253 -14.627 7.013 344 HG21 THR 47 3HG2 THR 47 6.629 -11.953 6.705 345 HG22 THR 47 1HG2 THR 47 8.096 -11.529 5.825 346 HG23 THR 47 2HG2 THR 47 8.177 -12.645 7.188 347 H ALA 48 H ALA 48 4.150 -11.754 5.431 348 HA ALA 48 HA ALA 48 4.388 -10.074 3.123 349 HB1 ALA 48 1HB ALA 48 2.977 -8.971 5.445 350 HB2 ALA 48 2HB ALA 48 2.431 -9.195 3.782 351 HB3 ALA 48 3HB ALA 48 2.396 -10.549 4.912 352 H VAL 49 H VAL 49 5.170 -7.970 3.000 353 HA VAL 49 HA VAL 49 6.786 -7.044 5.280 354 HB VAL 49 HB VAL 49 7.639 -6.821 2.392 355 HG11 VAL 49 1HG1 VAL 49 8.481 -5.523 4.788 356 HG12 VAL 49 2HG1 VAL 49 9.786 -6.559 4.208 357 HG13 VAL 49 3HG1 VAL 49 9.098 -5.329 3.147 358 HG21 VAL 49 3HG2 VAL 49 8.381 -8.811 4.519 359 HG22 VAL 49 1HG2 VAL 49 7.809 -9.116 2.879 360 HG23 VAL 49 2HG2 VAL 49 9.429 -8.472 3.142 361 H GLU 50 H GLU 50 6.649 -4.915 5.751 362 HA GLU 50 HA GLU 50 4.617 -3.374 4.410 363 HB2 GLU 50 2HB GLU 50 4.699 -3.201 6.794 364 HB3 GLU 50 3HB GLU 50 6.411 -2.801 6.767 365 HG2 GLU 50 2HG GLU 50 6.042 -0.635 6.127 366 HG3 GLU 50 3HG GLU 50 4.500 -1.010 5.359 367 H LEU 51 H LEU 51 4.875 -1.642 3.093 368 HA LEU 51 HA LEU 51 7.640 -0.947 2.347 369 HB2 LEU 51 2HB LEU 51 5.133 -0.952 0.675 370 HB3 LEU 51 3HB LEU 51 6.685 -0.311 0.139 371 HG LEU 51 HG LEU 51 6.629 -3.130 1.060 372 HD11 LEU 51 1HD1 LEU 51 5.123 -3.859 -0.390 373 HD12 LEU 51 2HD1 LEU 51 6.018 -3.111 -1.712 374 HD13 LEU 51 3HD1 LEU 51 4.770 -2.197 -0.864 375 HD21 LEU 51 3HD2 LEU 51 8.632 -1.797 0.195 376 HD22 LEU 51 1HD2 LEU 51 7.889 -1.952 -1.396 377 HD23 LEU 51 2HD2 LEU 51 8.355 -3.396 -0.498 378 HA PRO 52 HA PRO 52 6.048 2.910 4.183 379 HB2 PRO 52 2HB PRO 52 8.508 3.841 4.858 380 HB3 PRO 52 3HB PRO 52 7.607 2.695 5.857 381 HG2 PRO 52 2HG PRO 52 9.820 2.177 3.909 382 HG3 PRO 52 3HG PRO 52 9.567 1.488 5.524 383 HD2 PRO 52 2HD PRO 52 8.935 0.153 3.255 384 HD3 PRO 52 3HD PRO 52 8.023 -0.045 4.765 385 H ASP 53 H ASP 53 6.109 5.037 3.441 386 HA ASP 53 HA ASP 53 6.346 6.731 1.942 387 HB2 ASP 53 2HB ASP 53 8.865 6.055 2.525 388 HB3 ASP 53 3HB ASP 53 8.868 5.619 0.818 389 H VAL 54 H VAL 54 4.748 4.647 1.150 390 HA VAL 54 HA VAL 54 5.210 4.623 -1.756 391 HB VAL 54 HB VAL 54 4.182 2.295 -0.126 392 HG11 VAL 54 1HG1 VAL 54 4.180 1.091 -2.284 393 HG12 VAL 54 2HG1 VAL 54 3.023 2.423 -2.243 394 HG13 VAL 54 3HG1 VAL 54 4.552 2.607 -3.103 395 HG21 VAL 54 3HG2 VAL 54 6.241 1.200 -1.204 396 HG22 VAL 54 1HG2 VAL 54 6.791 2.850 -1.498 397 HG23 VAL 54 2HG2 VAL 54 6.501 2.298 0.152 398 H GLN 55 H GLN 55 3.403 4.848 -3.039 399 HA GLN 55 HA GLN 55 0.872 5.361 -1.621 400 HB2 GLN 55 2HB GLN 55 2.137 7.361 -2.647 401 HB3 GLN 55 3HB GLN 55 1.635 6.705 -4.200 402 HG2 GLN 55 2HG GLN 55 0.026 8.308 -3.691 403 HG3 GLN 55 3HG GLN 55 -0.735 6.773 -3.277 404 HE21 GLN 55 1HE2 GLN 55 -1.416 6.439 -1.246 405 HE22 GLN 55 2HE2 GLN 55 -1.207 7.553 0.057 406 H THR 56 H THR 56 -0.793 4.145 -2.216 407 HA THR 56 HA THR 56 -0.613 2.045 -4.027 408 HB THR 56 HB THR 56 -3.279 3.293 -3.477 409 HG1 THR 56 HG1 THR 56 -1.482 2.208 -1.592 410 HG21 THR 56 3HG2 THR 56 -3.472 0.661 -2.889 411 HG22 THR 56 1HG2 THR 56 -2.173 0.626 -4.081 412 HG23 THR 56 2HG2 THR 56 -3.735 1.328 -4.501 413 H ALA 57 H ALA 57 -1.530 1.692 -6.087 414 HA ALA 57 HA ALA 57 -2.019 2.193 -8.253 415 HB1 ALA 57 1HB ALA 57 -3.825 3.485 -8.528 416 HB2 ALA 57 2HB ALA 57 -3.792 3.652 -6.772 417 HB3 ALA 57 3HB ALA 57 -3.051 4.888 -7.789 418 HA PRO 58 HA PRO 58 1.277 4.571 -9.904 419 HB2 PRO 58 2HB PRO 58 0.278 5.372 -12.298 420 HB3 PRO 58 3HB PRO 58 0.747 3.701 -11.964 421 HG2 PRO 58 2HG PRO 58 -1.975 4.947 -11.935 422 HG3 PRO 58 3HG PRO 58 -1.467 3.382 -12.597 423 HD2 PRO 58 2HD PRO 58 -2.698 3.618 -10.197 424 HD3 PRO 58 3HD PRO 58 -1.494 2.358 -10.532 425 H VAL 59 H VAL 59 1.847 6.736 -10.870 426 HA VAL 59 HA VAL 59 0.091 8.835 -9.772 427 HB VAL 59 HB VAL 59 3.096 8.993 -10.022 428 HG11 VAL 59 1HG1 VAL 59 2.288 11.175 -10.023 429 HG12 VAL 59 2HG1 VAL 59 0.981 10.796 -8.900 430 HG13 VAL 59 3HG1 VAL 59 2.646 10.877 -8.323 431 HG21 VAL 59 3HG2 VAL 59 3.019 8.819 -7.499 432 HG22 VAL 59 1HG2 VAL 59 1.362 8.244 -7.680 433 HG23 VAL 59 2HG2 VAL 59 2.694 7.330 -8.386 434 H ALA 60 H ALA 60 -0.257 10.670 -10.976 435 HA ALA 60 HA ALA 60 -0.018 10.424 -13.798 436 HB1 ALA 60 1HB ALA 60 -1.801 11.736 -13.528 437 HB2 ALA 60 2HB ALA 60 -1.292 12.239 -11.916 438 HB3 ALA 60 3HB ALA 60 -0.654 13.063 -13.339 439 H GLU 61 H GLU 61 2.248 10.208 -14.136 440 HA GLU 61 HA GLU 61 3.614 12.793 -14.255 441 HB2 GLU 61 2HB GLU 61 4.647 10.312 -12.907 442 HB3 GLU 61 3HB GLU 61 5.748 11.518 -13.560 443 HG2 GLU 61 2HG GLU 61 4.556 13.217 -12.143 444 HG3 GLU 61 3HG GLU 61 3.723 11.870 -11.370 445 H THR 62 H THR 62 5.685 12.585 -15.579 446 HA THR 62 HA THR 62 5.167 10.777 -17.848 447 HB THR 62 HB THR 62 4.984 13.278 -18.260 448 HG1 THR 62 HG1 THR 62 5.589 12.856 -20.268 449 HG21 THR 62 3HG2 THR 62 6.884 14.631 -18.314 450 HG22 THR 62 1HG2 THR 62 7.984 13.254 -18.296 451 HG23 THR 62 2HG2 THR 62 7.100 13.695 -16.835 452 H VAL 63 H VAL 63 7.225 11.317 -15.292 453 HA VAL 63 HA VAL 63 9.604 10.321 -16.682 454 HB VAL 63 HB VAL 63 9.372 11.188 -13.799 455 HG11 VAL 63 1HG1 VAL 63 11.428 9.906 -15.282 456 HG12 VAL 63 2HG1 VAL 63 11.961 11.545 -14.899 457 HG13 VAL 63 3HG1 VAL 63 11.457 10.455 -13.607 458 HG21 VAL 63 3HG2 VAL 63 8.830 13.109 -15.066 459 HG22 VAL 63 1HG2 VAL 63 10.536 13.270 -14.650 460 HG23 VAL 63 2HG2 VAL 63 10.069 12.756 -16.271 461 H ASN 64 H ASN 64 8.480 8.222 -16.974 462 HA ASN 64 HA ASN 64 9.391 6.338 -15.061 463 HB2 ASN 64 2HB ASN 64 7.458 6.978 -13.777 464 HB3 ASN 64 3HB ASN 64 6.414 6.847 -15.190 465 HD21 ASN 64 1HD2 ASN 64 8.490 4.992 -13.030 466 HD22 ASN 64 2HD2 ASN 64 7.633 3.501 -13.195 467 H LEU 65 H LEU 65 9.399 4.249 -15.866 468 HA LEU 65 HA LEU 65 7.851 3.359 -18.049 469 HB2 LEU 65 2HB LEU 65 9.531 3.298 -19.794 470 HB3 LEU 65 3HB LEU 65 9.210 4.957 -19.293 471 HG LEU 65 HG LEU 65 11.339 4.499 -17.766 472 HD11 LEU 65 1HD1 LEU 65 11.277 2.125 -19.048 473 HD12 LEU 65 2HD1 LEU 65 12.745 2.871 -18.418 474 HD13 LEU 65 3HD1 LEU 65 12.330 3.046 -20.123 475 HD21 LEU 65 3HD2 LEU 65 12.254 6.059 -19.072 476 HD22 LEU 65 1HD2 LEU 65 10.781 5.952 -20.036 477 HD23 LEU 65 2HD2 LEU 65 12.205 5.018 -20.496 478 H TRP 66 H TRP 66 8.019 1.179 -18.294 479 HA TRP 66 HA TRP 66 9.621 -0.229 -16.356 480 HB2 TRP 66 2HB TRP 66 7.756 -1.284 -18.494 481 HB3 TRP 66 3HB TRP 66 8.468 -2.238 -17.196 482 HD1 TRP 66 HD1 TRP 66 7.864 -0.878 -14.622 483 HE1 TRP 66 HE1 TRP 66 5.487 -0.287 -13.832 484 HE3 TRP 66 HE3 TRP 66 5.480 -0.893 -19.144 485 HZ2 TRP 66 HZ2 TRP 66 2.938 0.119 -14.975 486 HZ3 TRP 66 HZ3 TRP 66 3.071 -0.394 -19.209 487 HH2 TRP 66 HH2 TRP 66 1.828 0.101 -17.167 488 H GLU 67 H GLU 67 10.818 -2.243 -17.057 489 HA GLU 67 HA GLU 67 12.128 -1.929 -19.659 490 HB2 GLU 67 2HB GLU 67 13.468 -0.811 -17.816 491 HB3 GLU 67 3HB GLU 67 13.701 -2.413 -17.131 492 HG2 GLU 67 2HG GLU 67 15.049 -3.109 -18.871 493 HG3 GLU 67 3HG GLU 67 14.426 -1.887 -19.978 494 H VAL 68 H VAL 68 10.267 -3.834 -18.051 495 HA VAL 68 HA VAL 68 9.799 -6.063 -18.102 496 HB VAL 68 HB VAL 68 12.191 -6.411 -19.905 497 HG11 VAL 68 1HG1 VAL 68 11.537 -8.543 -19.691 498 HG12 VAL 68 2HG1 VAL 68 9.969 -8.094 -19.016 499 HG13 VAL 68 3HG1 VAL 68 10.213 -8.087 -20.763 500 HG21 VAL 68 3HG2 VAL 68 9.604 -5.092 -20.403 501 HG22 VAL 68 1HG2 VAL 68 11.152 -4.910 -21.229 502 HG23 VAL 68 2HG2 VAL 68 10.102 -6.274 -21.613 503 H GLU 69 H GLU 69 10.855 -5.506 -15.841 504 HA GLU 69 HA GLU 69 13.175 -7.263 -15.420 505 HB2 GLU 69 2HB GLU 69 12.712 -4.675 -14.548 506 HB3 GLU 69 3HB GLU 69 12.345 -5.652 -13.133 507 HG2 GLU 69 2HG GLU 69 14.865 -6.151 -14.642 508 HG3 GLU 69 3HG GLU 69 14.761 -4.775 -13.546 509 H HIS 70 H HIS 70 12.488 -9.266 -14.984 510 HA HIS 70 HA HIS 70 11.083 -9.801 -12.571 511 HB2 HIS 70 2HB HIS 70 9.112 -9.235 -13.829 512 HB3 HIS 70 3HB HIS 70 9.619 -10.249 -15.177 513 HD1 HIS 70 HD1 HIS 70 9.407 -11.140 -11.487 514 HD2 HIS 70 HD2 HIS 70 7.797 -12.257 -15.151 515 HE1 HIS 70 HE1 HIS 70 7.971 -13.148 -11.006 516 H HIS 71 H HIS 71 11.333 -11.911 -11.910 517 HA HIS 71 HA HIS 71 13.103 -13.534 -13.585 518 HB2 HIS 71 2HB HIS 71 13.556 -14.797 -11.507 519 HB3 HIS 71 3HB HIS 71 13.903 -13.080 -11.332 520 HD1 HIS 71 HD1 HIS 71 11.043 -15.469 -10.560 521 HD2 HIS 71 HD2 HIS 71 12.802 -11.994 -9.115 522 HE1 HIS 71 HE1 HIS 71 9.826 -14.938 -8.424 Start of MODEL 17 1 H1 MET 1 H MET 1 3.747 -4.449 -5.691 2 HA MET 1 HA MET 1 5.215 -3.993 -7.869 3 HB2 MET 1 2HB MET 1 4.882 -1.510 -7.114 4 HB3 MET 1 3HB MET 1 6.195 -1.865 -5.999 5 HG2 MET 1 2HG MET 1 6.555 -2.547 -8.867 6 HG3 MET 1 3HG MET 1 6.638 -0.854 -8.385 7 HE1 MET 1 3HE MET 1 8.460 -4.465 -7.867 8 HE2 MET 1 1HE MET 1 8.490 -3.569 -9.386 9 HE3 MET 1 2HE MET 1 9.958 -3.715 -8.420 10 H LYS 2 H LYS 2 6.202 -5.887 -7.435 11 HA LYS 2 HA LYS 2 8.026 -5.944 -5.123 12 HB2 LYS 2 2HB LYS 2 6.615 -8.378 -6.209 13 HB3 LYS 2 3HB LYS 2 7.538 -8.241 -4.718 14 HG2 LYS 2 2HG LYS 2 5.711 -6.453 -4.124 15 HG3 LYS 2 3HG LYS 2 4.771 -7.337 -5.329 16 HD2 LYS 2 2HD LYS 2 5.937 -9.308 -3.740 17 HD3 LYS 2 3HD LYS 2 5.424 -8.057 -2.606 18 HE2 LYS 2 2HE LYS 2 3.667 -9.726 -2.982 19 HE3 LYS 2 3HE LYS 2 3.174 -8.121 -3.519 20 HZ1 LYS 2 3HZ LYS 2 3.067 -8.777 -5.649 21 HZ2 LYS 2 1HZ LYS 2 2.931 -10.331 -4.995 22 HZ3 LYS 2 2HZ LYS 2 4.431 -9.772 -5.541 23 H THR 3 H THR 3 9.968 -7.125 -5.401 24 HA THR 3 HA THR 3 10.602 -7.999 -8.123 25 HB THR 3 HB THR 3 11.392 -5.729 -8.128 26 HG1 THR 3 HG1 THR 3 13.675 -7.334 -7.586 27 HG21 THR 3 3HG2 THR 3 12.917 -4.842 -6.474 28 HG22 THR 3 1HG2 THR 3 12.953 -6.388 -5.628 29 HG23 THR 3 2HG2 THR 3 11.468 -5.438 -5.665 30 H PHE 4 H PHE 4 12.399 -9.423 -8.266 31 HA PHE 4 HA PHE 4 12.698 -11.098 -5.958 32 HB2 PHE 4 2HB PHE 4 14.265 -11.299 -8.529 33 HB3 PHE 4 3HB PHE 4 13.899 -12.584 -7.382 34 HD1 PHE 4 HD2 PHE 4 11.113 -12.494 -6.928 35 HD2 PHE 4 HD1 PHE 4 13.225 -11.674 -10.531 36 HE1 PHE 4 HE2 PHE 4 9.112 -13.087 -8.231 37 HE2 PHE 4 HE1 PHE 4 11.227 -12.265 -11.840 38 HZ PHE 4 HZ PHE 4 9.167 -12.974 -10.691 39 H ALA 5 H ALA 5 14.051 -10.671 -4.355 40 HA ALA 5 HA ALA 5 16.225 -8.825 -4.631 41 HB1 ALA 5 1HB ALA 5 16.622 -9.218 -2.280 42 HB2 ALA 5 2HB ALA 5 14.892 -9.017 -2.564 43 HB3 ALA 5 3HB ALA 5 15.562 -10.628 -2.307 44 H LEU 6 H LEU 6 18.051 -9.375 -5.624 45 HA LEU 6 HA LEU 6 19.090 -12.105 -5.256 46 HB2 LEU 6 2HB LEU 6 19.945 -10.204 -7.414 47 HB3 LEU 6 3HB LEU 6 20.149 -11.953 -7.348 48 HG LEU 6 HG LEU 6 17.477 -10.590 -7.652 49 HD11 LEU 6 1HD1 LEU 6 19.502 -11.440 -9.674 50 HD12 LEU 6 2HD1 LEU 6 18.488 -9.999 -9.635 51 HD13 LEU 6 3HD1 LEU 6 17.782 -11.561 -10.047 52 HD21 LEU 6 3HD2 LEU 6 18.122 -13.394 -8.444 53 HD22 LEU 6 1HD2 LEU 6 16.577 -12.683 -7.979 54 HD23 LEU 6 2HD2 LEU 6 17.798 -13.020 -6.751 55 H GLN 7 H GLN 7 21.658 -11.924 -5.860 56 HA GLN 7 HA GLN 7 22.905 -10.975 -3.588 57 HB2 GLN 7 2HB GLN 7 25.013 -11.258 -4.779 58 HB3 GLN 7 3HB GLN 7 23.923 -12.591 -5.136 59 HG2 GLN 7 2HG GLN 7 23.305 -11.393 -7.249 60 HG3 GLN 7 3HG GLN 7 24.609 -10.259 -6.902 61 HE21 GLN 7 1HE2 GLN 7 26.774 -11.126 -6.736 62 HE22 GLN 7 2HE2 GLN 7 27.204 -12.517 -7.666 63 H GLY 8 H GLY 8 23.411 -9.018 -2.859 64 HA2 GLY 8 2HA GLY 8 23.940 -6.780 -2.818 65 HA3 GLY 8 3HA GLY 8 24.381 -6.922 -4.513 66 H ASP 9 H ASP 9 21.211 -7.929 -3.696 67 HA ASP 9 HA ASP 9 20.123 -5.349 -4.613 68 HB2 ASP 9 2HB ASP 9 19.496 -8.131 -5.542 69 HB3 ASP 9 3HB ASP 9 18.255 -6.883 -5.614 70 H THR 10 H THR 10 20.484 -6.561 -1.914 71 HA THR 10 HA THR 10 17.926 -7.363 -0.952 72 HB THR 10 HB THR 10 18.860 -7.400 1.199 73 HG1 THR 10 HG1 THR 10 20.333 -5.985 1.892 74 HG21 THR 10 3HG2 THR 10 20.926 -8.566 0.965 75 HG22 THR 10 1HG2 THR 10 21.285 -7.755 -0.559 76 HG23 THR 10 2HG2 THR 10 19.969 -8.927 -0.471 77 H LEU 11 H LEU 11 17.063 -6.067 1.070 78 HA LEU 11 HA LEU 11 15.763 -3.817 0.174 79 HB2 LEU 11 2HB LEU 11 16.543 -4.379 3.030 80 HB3 LEU 11 3HB LEU 11 15.232 -3.332 2.491 81 HG LEU 11 HG LEU 11 15.320 -6.306 2.002 82 HD11 LEU 11 1HD1 LEU 11 13.492 -6.272 3.788 83 HD12 LEU 11 2HD1 LEU 11 14.150 -4.703 4.251 84 HD13 LEU 11 3HD1 LEU 11 15.166 -6.142 4.328 85 HD21 LEU 11 3HD2 LEU 11 12.832 -5.871 1.698 86 HD22 LEU 11 1HD2 LEU 11 13.904 -5.307 0.416 87 HD23 LEU 11 2HD2 LEU 11 13.255 -4.162 1.591 88 H ASP 12 H ASP 12 18.789 -3.982 2.015 89 HA ASP 12 HA ASP 12 19.214 -1.280 2.445 90 HB2 ASP 12 2HB ASP 12 20.659 -2.863 3.498 91 HB3 ASP 12 3HB ASP 12 21.174 -3.521 1.947 92 H ALA 13 H ALA 13 19.695 -3.185 -0.454 93 HA ALA 13 HA ALA 13 20.997 -0.992 -1.846 94 HB1 ALA 13 1HB ALA 13 20.111 -3.337 -3.389 95 HB2 ALA 13 2HB ALA 13 21.673 -2.517 -3.360 96 HB3 ALA 13 3HB ALA 13 21.256 -3.667 -2.089 97 H ILE 14 H ILE 14 18.061 -2.957 -2.363 98 HA ILE 14 HA ILE 14 16.940 -1.526 -4.429 99 HB ILE 14 HB ILE 14 15.515 -2.886 -2.140 100 HG12 ILE 14 2HG1 ILE 14 16.040 -3.869 -4.951 101 HG13 ILE 14 3HG1 ILE 14 17.051 -4.276 -3.568 102 HG21 ILE 14 1HG2 ILE 14 14.455 -1.917 -4.790 103 HG22 ILE 14 2HG2 ILE 14 13.580 -2.977 -3.686 104 HG23 ILE 14 3HG2 ILE 14 13.999 -1.338 -3.188 105 HD11 ILE 14 3HD1 ILE 14 15.126 -5.334 -2.490 106 HD12 ILE 14 1HD1 ILE 14 14.138 -4.951 -3.900 107 HD13 ILE 14 2HD1 ILE 14 15.499 -6.063 -4.052 108 H CYS 15 H CYS 15 16.510 -0.970 -0.943 109 HA CYS 15 HA CYS 15 14.731 1.163 -1.093 110 HB2 CYS 15 2HB CYS 15 16.847 0.461 0.937 111 HB3 CYS 15 3HB CYS 15 15.765 1.832 1.149 112 HG CYS 15 HG CYS 15 14.125 0.369 2.479 113 H VAL 16 H VAL 16 18.155 1.045 -1.666 114 HA VAL 16 HA VAL 16 18.453 3.931 -1.612 115 HB VAL 16 HB VAL 16 20.409 1.755 -2.364 116 HG11 VAL 16 1HG1 VAL 16 20.604 4.727 -2.401 117 HG12 VAL 16 2HG1 VAL 16 22.021 3.784 -1.933 118 HG13 VAL 16 3HG1 VAL 16 21.279 3.538 -3.514 119 HG21 VAL 16 3HG2 VAL 16 19.617 1.983 0.053 120 HG22 VAL 16 1HG2 VAL 16 21.357 2.017 -0.232 121 HG23 VAL 16 2HG2 VAL 16 20.483 3.519 0.067 122 H ARG 17 H ARG 17 18.026 1.368 -3.941 123 HA ARG 17 HA ARG 17 18.638 3.075 -6.200 124 HB2 ARG 17 2HB ARG 17 18.600 1.181 -7.486 125 HB3 ARG 17 3HB ARG 17 18.943 0.459 -5.920 126 HG2 ARG 17 2HG ARG 17 16.529 -0.004 -5.650 127 HG3 ARG 17 3HG ARG 17 16.263 0.619 -7.280 128 HD2 ARG 17 2HD ARG 17 18.001 -1.732 -6.538 129 HD3 ARG 17 3HD ARG 17 16.401 -1.819 -7.273 130 HE ARG 17 HE ARG 17 17.846 -0.280 -8.995 131 HH11 ARG 17 1HH1 ARG 17 18.252 -3.448 -7.611 132 HH12 ARG 17 2HH1 ARG 17 19.120 -4.075 -8.974 133 HH21 ARG 17 1HH2 ARG 17 18.987 -1.093 -10.795 134 HH22 ARG 17 2HH2 ARG 17 19.538 -2.734 -10.784 135 H TYR 18 H TYR 18 15.980 2.511 -4.223 136 HA TYR 18 HA TYR 18 14.085 3.319 -6.324 137 HB2 TYR 18 2HB TYR 18 13.868 1.598 -3.934 138 HB3 TYR 18 3HB TYR 18 12.500 2.669 -4.216 139 HD1 TYR 18 HD2 TYR 18 14.532 -0.037 -5.714 140 HD2 TYR 18 HD1 TYR 18 10.934 2.223 -5.938 141 HE1 TYR 18 HE2 TYR 18 13.654 -1.612 -7.386 142 HE2 TYR 18 HE1 TYR 18 10.045 0.653 -7.610 143 HH TYR 18 HH TYR 18 11.458 -2.355 -8.240 144 H TYR 19 H TYR 19 14.505 3.800 -2.812 145 HA TYR 19 HA TYR 19 13.330 6.460 -3.067 146 HB2 TYR 19 2HB TYR 19 14.220 5.198 -0.486 147 HB3 TYR 19 3HB TYR 19 12.973 6.413 -0.744 148 HD1 TYR 19 HD1 TYR 19 10.804 5.735 -1.799 149 HD2 TYR 19 HD2 TYR 19 13.713 2.885 -0.567 150 HE1 TYR 19 HE1 TYR 19 9.091 3.971 -1.854 151 HE2 TYR 19 HE2 TYR 19 12.008 1.113 -0.620 152 HH TYR 19 HH TYR 19 9.781 0.704 -0.734 153 H GLY 20 H GLY 20 16.349 4.879 -2.201 154 HA2 GLY 20 2HA GLY 20 18.475 5.857 -2.518 155 HA3 GLY 20 3HA GLY 20 17.720 7.444 -2.510 156 H ARG 21 H ARG 21 16.906 5.142 -0.048 157 HA ARG 21 HA ARG 21 18.883 5.957 1.840 158 HB2 ARG 21 2HB ARG 21 17.389 7.159 3.379 159 HB3 ARG 21 3HB ARG 21 17.560 8.004 1.846 160 HG2 ARG 21 2HG ARG 21 15.269 6.139 2.213 161 HG3 ARG 21 3HG ARG 21 15.219 7.728 2.979 162 HD2 ARG 21 2HD ARG 21 15.983 8.486 0.548 163 HD3 ARG 21 3HD ARG 21 15.158 6.992 0.105 164 HE ARG 21 HE ARG 21 13.158 8.001 0.569 165 HH11 ARG 21 1HH1 ARG 21 15.733 9.872 1.980 166 HH12 ARG 21 2HH1 ARG 21 14.702 11.187 2.437 167 HH21 ARG 21 1HH2 ARG 21 11.791 9.727 1.166 168 HH22 ARG 21 2HH2 ARG 21 12.460 11.103 1.975 169 H THR 22 H THR 22 18.545 4.980 3.963 170 HA THR 22 HA THR 22 16.767 2.633 3.809 171 HB THR 22 HB THR 22 18.515 1.779 5.617 172 HG1 THR 22 HG1 THR 22 20.082 3.500 3.968 173 HG21 THR 22 3HG2 THR 22 19.927 1.227 3.309 174 HG22 THR 22 1HG2 THR 22 18.298 1.554 2.720 175 HG23 THR 22 2HG2 THR 22 18.562 0.302 3.934 176 H GLU 23 H GLU 23 17.792 5.363 5.674 177 HA GLU 23 HA GLU 23 16.613 4.509 8.145 178 HB2 GLU 23 2HB GLU 23 18.512 6.213 7.815 179 HB3 GLU 23 3HB GLU 23 17.242 7.359 7.410 180 HG2 GLU 23 2HG GLU 23 17.645 7.727 9.668 181 HG3 GLU 23 3HG GLU 23 16.196 6.723 9.649 182 H GLY 24 H GLY 24 14.487 4.295 8.370 183 HA2 GLY 24 2HA GLY 24 12.353 5.309 8.679 184 HA3 GLY 24 3HA GLY 24 12.765 6.485 7.440 185 H VAL 25 H VAL 25 13.831 4.082 5.837 186 HA VAL 25 HA VAL 25 11.250 3.469 4.599 187 HB VAL 25 HB VAL 25 14.005 2.879 3.515 188 HG11 VAL 25 1HG1 VAL 25 11.762 3.316 1.685 189 HG12 VAL 25 2HG1 VAL 25 13.007 2.066 1.679 190 HG13 VAL 25 3HG1 VAL 25 11.590 1.896 2.715 191 HG21 VAL 25 3HG2 VAL 25 14.088 5.171 3.563 192 HG22 VAL 25 1HG2 VAL 25 13.292 4.915 2.010 193 HG23 VAL 25 2HG2 VAL 25 12.339 5.348 3.430 194 H VAL 26 H VAL 26 14.202 1.815 5.693 195 HA VAL 26 HA VAL 26 13.495 -0.800 5.155 196 HB VAL 26 HB VAL 26 14.988 -1.458 7.012 197 HG11 VAL 26 1HG1 VAL 26 17.013 -0.153 6.176 198 HG12 VAL 26 2HG1 VAL 26 16.088 -1.057 4.976 199 HG13 VAL 26 3HG1 VAL 26 15.886 0.690 5.114 200 HG21 VAL 26 3HG2 VAL 26 16.197 0.507 8.145 201 HG22 VAL 26 1HG2 VAL 26 14.800 1.465 7.655 202 HG23 VAL 26 2HG2 VAL 26 14.587 0.079 8.724 203 H GLU 27 H GLU 27 12.506 1.262 7.821 204 HA GLU 27 HA GLU 27 11.363 -0.716 9.461 205 HB2 GLU 27 2HB GLU 27 10.997 2.242 9.177 206 HB3 GLU 27 3HB GLU 27 9.891 1.330 10.194 207 HG2 GLU 27 2HG GLU 27 11.927 0.430 11.385 208 HG3 GLU 27 3HG GLU 27 12.859 1.642 10.507 209 H THR 28 H THR 28 10.140 1.037 6.683 210 HA THR 28 HA THR 28 7.417 0.271 6.989 211 HB THR 28 HB THR 28 8.657 0.927 4.331 212 HG1 THR 28 HG1 THR 28 8.397 3.147 4.921 213 HG21 THR 28 3HG2 THR 28 6.546 1.266 3.668 214 HG22 THR 28 1HG2 THR 28 6.164 2.214 5.104 215 HG23 THR 28 2HG2 THR 28 6.060 0.454 5.156 216 H VAL 29 H VAL 29 9.789 -0.764 4.528 217 HA VAL 29 HA VAL 29 8.366 -2.882 3.482 218 HB VAL 29 HB VAL 29 11.364 -2.822 3.843 219 HG11 VAL 29 1HG1 VAL 29 10.924 -4.001 1.459 220 HG12 VAL 29 2HG1 VAL 29 11.103 -4.888 2.975 221 HG13 VAL 29 3HG1 VAL 29 9.494 -4.535 2.342 222 HG21 VAL 29 3HG2 VAL 29 11.307 -0.975 2.590 223 HG22 VAL 29 1HG2 VAL 29 10.785 -2.015 1.265 224 HG23 VAL 29 2HG2 VAL 29 9.588 -1.168 2.245 225 H LEU 30 H LEU 30 10.367 -2.782 6.373 226 HA LEU 30 HA LEU 30 10.592 -5.501 6.904 227 HB2 LEU 30 2HB LEU 30 11.763 -3.705 8.128 228 HB3 LEU 30 3HB LEU 30 10.242 -3.275 8.907 229 HG LEU 30 HG LEU 30 10.276 -5.720 9.769 230 HD11 LEU 30 1HD1 LEU 30 12.040 -6.664 8.535 231 HD12 LEU 30 2HD1 LEU 30 12.678 -6.441 10.163 232 HD13 LEU 30 3HD1 LEU 30 13.117 -5.311 8.882 233 HD21 LEU 30 3HD2 LEU 30 12.269 -4.694 11.398 234 HD22 LEU 30 1HD2 LEU 30 10.531 -4.469 11.593 235 HD23 LEU 30 2HD2 LEU 30 11.483 -3.266 10.724 236 H ALA 31 H ALA 31 8.019 -3.238 7.829 237 HA ALA 31 HA ALA 31 6.476 -5.076 9.302 238 HB1 ALA 31 1HB ALA 31 5.281 -3.256 9.726 239 HB2 ALA 31 2HB ALA 31 6.302 -2.365 8.596 240 HB3 ALA 31 3HB ALA 31 4.811 -3.120 8.032 241 H ALA 32 H ALA 32 6.634 -4.329 5.878 242 HA ALA 32 HA ALA 32 4.293 -5.856 5.202 243 HB1 ALA 32 1HB ALA 32 6.188 -4.141 3.813 244 HB2 ALA 32 2HB ALA 32 5.717 -5.552 2.866 245 HB3 ALA 32 3HB ALA 32 4.484 -4.451 3.480 246 H ASN 33 H ASN 33 7.665 -6.494 5.622 247 HA ASN 33 HA ASN 33 7.195 -9.296 4.904 248 HB2 ASN 33 2HB ASN 33 9.230 -7.460 3.730 249 HB3 ASN 33 3HB ASN 33 9.705 -9.128 4.033 250 HD21 ASN 33 1HD2 ASN 33 7.299 -7.122 2.424 251 HD22 ASN 33 2HD2 ASN 33 6.940 -8.248 1.163 252 HA PRO 34 HA PRO 34 9.250 -8.779 9.036 253 HB2 PRO 34 2HB PRO 34 7.619 -10.524 10.325 254 HB3 PRO 34 3HB PRO 34 7.228 -8.812 10.126 255 HG2 PRO 34 2HG PRO 34 6.268 -11.169 8.551 256 HG3 PRO 34 3HG PRO 34 5.352 -9.772 9.145 257 HD2 PRO 34 2HD PRO 34 6.195 -9.976 6.580 258 HD3 PRO 34 3HD PRO 34 6.053 -8.417 7.417 259 H GLY 35 H GLY 35 10.622 -10.241 10.080 260 HA2 GLY 35 2HA GLY 35 11.588 -12.350 10.494 261 HA3 GLY 35 3HA GLY 35 10.677 -13.008 9.144 262 H LEU 36 H LEU 36 11.617 -10.571 7.548 263 HA LEU 36 HA LEU 36 13.762 -11.839 6.239 264 HB2 LEU 36 2HB LEU 36 12.068 -9.925 5.524 265 HB3 LEU 36 3HB LEU 36 13.418 -8.898 6.002 266 HG LEU 36 HG LEU 36 13.392 -9.320 3.591 267 HD11 LEU 36 1HD1 LEU 36 15.539 -9.357 5.237 268 HD12 LEU 36 2HD1 LEU 36 15.633 -9.372 3.476 269 HD13 LEU 36 3HD1 LEU 36 15.750 -10.883 4.378 270 HD21 LEU 36 3HD2 LEU 36 12.534 -11.816 4.203 271 HD22 LEU 36 1HD2 LEU 36 14.236 -12.122 3.856 272 HD23 LEU 36 2HD2 LEU 36 13.214 -11.351 2.643 273 H ALA 37 H ALA 37 13.634 -9.475 8.809 274 HA ALA 37 HA ALA 37 16.292 -8.565 8.700 275 HB1 ALA 37 1HB ALA 37 15.588 -8.489 11.380 276 HB2 ALA 37 2HB ALA 37 15.346 -7.209 10.190 277 HB3 ALA 37 3HB ALA 37 14.052 -8.360 10.523 278 H GLU 38 H GLU 38 14.930 -11.541 9.776 279 HA GLU 38 HA GLU 38 17.121 -12.280 11.486 280 HB2 GLU 38 2HB GLU 38 14.784 -13.809 10.349 281 HB3 GLU 38 3HB GLU 38 16.018 -14.570 11.343 282 HG2 GLU 38 2HG GLU 38 14.636 -12.138 12.362 283 HG3 GLU 38 3HG GLU 38 13.796 -13.688 12.397 284 H LEU 39 H LEU 39 16.513 -12.332 8.128 285 HA LEU 39 HA LEU 39 17.875 -14.556 7.222 286 HB2 LEU 39 2HB LEU 39 16.630 -12.594 5.986 287 HB3 LEU 39 3HB LEU 39 18.264 -11.956 5.820 288 HG LEU 39 HG LEU 39 18.023 -13.077 3.835 289 HD11 LEU 39 1HD1 LEU 39 18.961 -15.339 5.585 290 HD12 LEU 39 2HD1 LEU 39 19.962 -13.953 5.154 291 HD13 LEU 39 3HD1 LEU 39 19.370 -15.038 3.896 292 HD21 LEU 39 3HD2 LEU 39 16.971 -15.496 3.931 293 HD22 LEU 39 1HD2 LEU 39 15.960 -14.055 3.827 294 HD23 LEU 39 2HD2 LEU 39 16.204 -14.849 5.383 295 H GLY 40 H GLY 40 19.236 -11.304 7.787 296 HA2 GLY 40 2HA GLY 40 21.333 -10.800 8.684 297 HA3 GLY 40 3HA GLY 40 21.748 -12.506 8.613 298 H ALA 41 H ALA 41 22.604 -13.373 6.706 299 HA ALA 41 HA ALA 41 24.293 -11.683 5.242 300 HB1 ALA 41 1HB ALA 41 23.707 -14.115 3.808 301 HB2 ALA 41 2HB ALA 41 25.199 -13.608 4.601 302 HB3 ALA 41 3HB ALA 41 23.945 -14.432 5.527 303 H VAL 42 H VAL 42 24.131 -12.320 2.606 304 HA VAL 42 HA VAL 42 22.340 -10.464 1.576 305 HB VAL 42 HB VAL 42 24.331 -11.302 0.365 306 HG11 VAL 42 1HG1 VAL 42 24.336 -13.401 -0.759 307 HG12 VAL 42 2HG1 VAL 42 23.911 -13.713 0.925 308 HG13 VAL 42 3HG1 VAL 42 22.658 -13.712 -0.316 309 HG21 VAL 42 3HG2 VAL 42 23.269 -10.264 -1.296 310 HG22 VAL 42 1HG2 VAL 42 22.676 -11.846 -1.800 311 HG23 VAL 42 2HG2 VAL 42 21.697 -10.834 -0.737 312 H LEU 43 H LEU 43 20.265 -10.512 0.943 313 HA LEU 43 HA LEU 43 18.480 -12.424 1.830 314 HB2 LEU 43 2HB LEU 43 18.364 -10.277 -0.228 315 HB3 LEU 43 3HB LEU 43 17.041 -11.438 -0.150 316 HG LEU 43 HG LEU 43 16.498 -10.766 2.085 317 HD11 LEU 43 1HD1 LEU 43 17.824 -8.740 3.008 318 HD12 LEU 43 2HD1 LEU 43 19.098 -9.300 1.926 319 HD13 LEU 43 3HD1 LEU 43 18.486 -10.364 3.192 320 HD21 LEU 43 3HD2 LEU 43 16.447 -8.119 1.556 321 HD22 LEU 43 1HD2 LEU 43 15.318 -9.285 0.867 322 HD23 LEU 43 2HD2 LEU 43 16.724 -8.765 -0.062 323 HA PRO 44 HA PRO 44 18.545 -15.805 -0.965 324 HB2 PRO 44 2HB PRO 44 15.910 -16.420 -1.196 325 HB3 PRO 44 3HB PRO 44 16.846 -16.735 0.271 326 HG2 PRO 44 2HG PRO 44 14.985 -14.471 -0.339 327 HG3 PRO 44 3HG PRO 44 15.143 -15.419 1.151 328 HD2 PRO 44 2HD PRO 44 16.236 -12.958 0.869 329 HD3 PRO 44 3HD PRO 44 16.979 -14.224 1.867 330 H HIS 45 H HIS 45 18.857 -15.902 -3.094 331 HA HIS 45 HA HIS 45 17.851 -13.895 -4.851 332 HB2 HIS 45 2HB HIS 45 19.038 -15.129 -6.608 333 HB3 HIS 45 3HB HIS 45 20.057 -14.915 -5.188 334 HD1 HIS 45 HD1 HIS 45 18.669 -17.473 -7.408 335 HD2 HIS 45 HD2 HIS 45 20.347 -17.331 -3.610 336 HE1 HIS 45 HE1 HIS 45 19.276 -19.849 -6.852 337 H GLY 46 H GLY 46 15.974 -13.854 -5.893 338 HA2 GLY 46 2HA GLY 46 14.406 -14.911 -7.393 339 HA3 GLY 46 3HA GLY 46 14.659 -16.416 -6.521 340 H THR 47 H THR 47 14.538 -14.230 -4.146 341 HA THR 47 HA THR 47 11.747 -14.826 -3.581 342 HB THR 47 HB THR 47 13.865 -13.504 -1.875 343 HG1 THR 47 HG1 THR 47 13.363 -15.649 -0.728 344 HG21 THR 47 3HG2 THR 47 11.639 -12.721 -1.255 345 HG22 THR 47 1HG2 THR 47 12.281 -13.804 -0.021 346 HG23 THR 47 2HG2 THR 47 11.066 -14.386 -1.159 347 H ALA 48 H ALA 48 10.143 -13.440 -3.919 348 HA ALA 48 HA ALA 48 10.690 -10.776 -4.866 349 HB1 ALA 48 1HB ALA 48 8.769 -11.094 -5.924 350 HB2 ALA 48 2HB ALA 48 8.558 -12.630 -5.082 351 HB3 ALA 48 3HB ALA 48 7.916 -11.144 -4.381 352 H VAL 49 H VAL 49 10.456 -8.885 -3.803 353 HA VAL 49 HA VAL 49 9.527 -9.012 -1.007 354 HB VAL 49 HB VAL 49 11.620 -7.136 -2.112 355 HG11 VAL 49 1HG1 VAL 49 10.020 -6.866 0.118 356 HG12 VAL 49 2HG1 VAL 49 11.514 -7.548 0.764 357 HG13 VAL 49 3HG1 VAL 49 11.557 -6.049 -0.164 358 HG21 VAL 49 3HG2 VAL 49 12.972 -8.919 -1.998 359 HG22 VAL 49 1HG2 VAL 49 12.864 -8.712 -0.250 360 HG23 VAL 49 2HG2 VAL 49 11.805 -9.860 -1.069 361 H GLU 50 H GLU 50 7.946 -7.655 -0.421 362 HA GLU 50 HA GLU 50 6.661 -6.047 -2.412 363 HB2 GLU 50 2HB GLU 50 5.259 -7.159 -0.831 364 HB3 GLU 50 3HB GLU 50 6.143 -6.479 0.528 365 HG2 GLU 50 2HG GLU 50 5.225 -4.349 0.206 366 HG3 GLU 50 3HG GLU 50 4.663 -4.744 -1.417 367 H LEU 51 H LEU 51 7.058 -3.996 -2.891 368 HA LEU 51 HA LEU 51 8.616 -2.387 -0.983 369 HB2 LEU 51 2HB LEU 51 8.283 -1.903 -3.935 370 HB3 LEU 51 3HB LEU 51 9.413 -1.109 -2.841 371 HG LEU 51 HG LEU 51 9.514 -3.981 -3.760 372 HD11 LEU 51 1HD1 LEU 51 10.988 -1.490 -4.495 373 HD12 LEU 51 2HD1 LEU 51 10.337 -2.759 -5.532 374 HD13 LEU 51 3HD1 LEU 51 11.798 -3.054 -4.590 375 HD21 LEU 51 3HD2 LEU 51 11.663 -4.044 -2.534 376 HD22 LEU 51 1HD2 LEU 51 10.266 -3.854 -1.474 377 HD23 LEU 51 2HD2 LEU 51 11.286 -2.463 -1.848 378 HA PRO 52 HA PRO 52 4.531 -0.375 -0.750 379 HB2 PRO 52 2HB PRO 52 4.951 0.646 1.730 380 HB3 PRO 52 3HB PRO 52 4.401 -1.011 1.454 381 HG2 PRO 52 2HG PRO 52 7.158 -0.005 2.043 382 HG3 PRO 52 3HG PRO 52 6.321 -1.424 2.699 383 HD2 PRO 52 2HD PRO 52 8.156 -1.602 0.716 384 HD3 PRO 52 3HD PRO 52 6.771 -2.706 0.837 385 H ASP 53 H ASP 53 3.940 1.799 -0.872 386 HA ASP 53 HA ASP 53 4.169 4.008 -1.365 387 HB2 ASP 53 2HB ASP 53 6.823 3.920 0.069 388 HB3 ASP 53 3HB ASP 53 5.750 5.302 -0.140 389 H VAL 54 H VAL 54 4.941 2.222 -3.330 390 HA VAL 54 HA VAL 54 7.213 3.623 -4.585 391 HB VAL 54 HB VAL 54 6.402 0.729 -4.858 392 HG11 VAL 54 1HG1 VAL 54 6.970 1.510 -7.052 393 HG12 VAL 54 2HG1 VAL 54 8.411 2.324 -6.441 394 HG13 VAL 54 3HG1 VAL 54 8.322 0.562 -6.434 395 HG21 VAL 54 3HG2 VAL 54 7.725 1.111 -2.900 396 HG22 VAL 54 1HG2 VAL 54 8.757 0.358 -4.115 397 HG23 VAL 54 2HG2 VAL 54 8.878 2.090 -3.807 398 H GLN 55 H GLN 55 7.013 4.255 -6.706 399 HA GLN 55 HA GLN 55 5.965 4.967 -8.595 400 HB2 GLN 55 2HB GLN 55 4.728 2.285 -8.128 401 HB3 GLN 55 3HB GLN 55 4.084 3.315 -9.399 402 HG2 GLN 55 2HG GLN 55 6.488 3.484 -10.236 403 HG3 GLN 55 3HG GLN 55 6.822 2.125 -9.164 404 HE21 GLN 55 1HE2 GLN 55 4.391 3.083 -11.569 405 HE22 GLN 55 2HE2 GLN 55 4.323 1.550 -12.362 406 H THR 56 H THR 56 4.938 5.729 -5.921 407 HA THR 56 HA THR 56 2.085 5.981 -6.190 408 HB THR 56 HB THR 56 3.671 7.653 -4.279 409 HG1 THR 56 HG1 THR 56 2.993 5.020 -3.567 410 HG21 THR 56 3HG2 THR 56 1.284 6.079 -3.504 411 HG22 THR 56 1HG2 THR 56 1.028 7.402 -4.641 412 HG23 THR 56 2HG2 THR 56 1.750 7.722 -3.064 413 H ALA 57 H ALA 57 2.751 6.984 -8.464 414 HA ALA 57 HA ALA 57 2.270 9.846 -8.179 415 HB1 ALA 57 1HB ALA 57 4.033 9.853 -10.273 416 HB2 ALA 57 2HB ALA 57 4.409 10.329 -8.617 417 HB3 ALA 57 3HB ALA 57 4.763 8.691 -9.165 418 HA PRO 58 HA PRO 58 -0.441 9.321 -11.589 419 HB2 PRO 58 2HB PRO 58 -0.155 11.664 -12.930 420 HB3 PRO 58 3HB PRO 58 -0.987 11.543 -11.375 421 HG2 PRO 58 2HG PRO 58 1.814 12.422 -11.962 422 HG3 PRO 58 3HG PRO 58 0.629 13.130 -10.848 423 HD2 PRO 58 2HD PRO 58 2.637 11.518 -10.008 424 HD3 PRO 58 3HD PRO 58 1.054 11.570 -9.205 425 H VAL 59 H VAL 59 -0.031 7.900 -13.162 426 HA VAL 59 HA VAL 59 2.372 8.108 -14.775 427 HB VAL 59 HB VAL 59 1.699 5.973 -15.744 428 HG11 VAL 59 1HG1 VAL 59 2.375 4.769 -13.957 429 HG12 VAL 59 2HG1 VAL 59 2.607 6.364 -13.239 430 HG13 VAL 59 3HG1 VAL 59 1.139 5.447 -12.897 431 HG21 VAL 59 3HG2 VAL 59 -0.781 6.243 -14.045 432 HG22 VAL 59 1HG2 VAL 59 -0.714 6.345 -15.804 433 HG23 VAL 59 2HG2 VAL 59 -0.328 4.827 -14.993 434 H ALA 60 H ALA 60 1.776 7.259 -17.207 435 HA ALA 60 HA ALA 60 -0.322 9.036 -18.251 436 HB1 ALA 60 1HB ALA 60 1.394 9.351 -20.218 437 HB2 ALA 60 2HB ALA 60 1.470 10.362 -18.774 438 HB3 ALA 60 3HB ALA 60 2.571 8.996 -18.953 439 H GLU 61 H GLU 61 -0.075 6.089 -17.803 440 HA GLU 61 HA GLU 61 -1.188 5.271 -20.314 441 HB2 GLU 61 2HB GLU 61 0.412 3.513 -20.828 442 HB3 GLU 61 3HB GLU 61 1.214 5.078 -20.819 443 HG2 GLU 61 2HG GLU 61 2.268 4.643 -18.761 444 HG3 GLU 61 3HG GLU 61 1.235 3.252 -18.439 445 H THR 62 H THR 62 -1.830 2.928 -20.251 446 HA THR 62 HA THR 62 -2.888 2.337 -17.609 447 HB THR 62 HB THR 62 -4.020 0.414 -18.925 448 HG1 THR 62 HG1 THR 62 -2.476 0.994 -20.784 449 HG21 THR 62 3HG2 THR 62 -4.987 2.959 -20.054 450 HG22 THR 62 1HG2 THR 62 -4.807 2.929 -18.300 451 HG23 THR 62 2HG2 THR 62 -5.839 1.744 -19.101 452 H VAL 63 H VAL 63 -1.661 1.194 -16.265 453 HA VAL 63 HA VAL 63 -0.741 -1.414 -16.966 454 HB VAL 63 HB VAL 63 1.074 -0.057 -17.965 455 HG11 VAL 63 1HG1 VAL 63 2.281 1.508 -16.845 456 HG12 VAL 63 2HG1 VAL 63 0.770 1.656 -15.945 457 HG13 VAL 63 3HG1 VAL 63 2.098 0.697 -15.290 458 HG21 VAL 63 3HG2 VAL 63 2.253 -1.412 -15.579 459 HG22 VAL 63 1HG2 VAL 63 1.330 -2.353 -16.751 460 HG23 VAL 63 2HG2 VAL 63 2.763 -1.464 -17.266 461 H ASN 64 H ASN 64 -0.133 -2.641 -15.165 462 HA ASN 64 HA ASN 64 -0.296 -3.296 -12.990 463 HB2 ASN 64 2HB ASN 64 1.020 -0.600 -12.761 464 HB3 ASN 64 3HB ASN 64 0.674 -1.565 -11.329 465 HD21 ASN 64 1HD2 ASN 64 3.156 -1.144 -11.450 466 HD22 ASN 64 2HD2 ASN 64 4.070 -2.440 -12.135 467 H LEU 65 H LEU 65 -2.715 -2.675 -13.845 468 HA LEU 65 HA LEU 65 -4.005 -0.629 -12.314 469 HB2 LEU 65 2HB LEU 65 -4.898 -2.802 -14.151 470 HB3 LEU 65 3HB LEU 65 -6.084 -2.012 -13.114 471 HG LEU 65 HG LEU 65 -4.309 -0.402 -14.915 472 HD11 LEU 65 1HD1 LEU 65 -6.306 -2.304 -15.744 473 HD12 LEU 65 2HD1 LEU 65 -5.229 -1.306 -16.720 474 HD13 LEU 65 3HD1 LEU 65 -6.779 -0.661 -16.179 475 HD21 LEU 65 3HD2 LEU 65 -6.453 1.007 -14.869 476 HD22 LEU 65 1HD2 LEU 65 -5.460 0.963 -13.412 477 HD23 LEU 65 2HD2 LEU 65 -6.928 -0.009 -13.507 478 H TRP 66 H TRP 66 -3.509 -1.083 -10.153 479 HA TRP 66 HA TRP 66 -3.845 -3.535 -8.864 480 HB2 TRP 66 2HB TRP 66 -4.279 -0.828 -7.593 481 HB3 TRP 66 3HB TRP 66 -3.761 -2.313 -6.801 482 HD1 TRP 66 HD1 TRP 66 -2.333 0.804 -7.783 483 HE1 TRP 66 HE1 TRP 66 0.195 0.632 -8.237 484 HE3 TRP 66 HE3 TRP 66 -1.927 -4.275 -8.197 485 HZ2 TRP 66 HZ2 TRP 66 2.107 -1.390 -8.709 486 HZ3 TRP 66 HZ3 TRP 66 0.287 -5.248 -8.651 487 HH2 TRP 66 HH2 TRP 66 2.261 -3.834 -8.903 488 H GLU 67 H GLU 67 -5.548 -4.592 -8.001 489 HA GLU 67 HA GLU 67 -8.101 -3.256 -7.657 490 HB2 GLU 67 2HB GLU 67 -9.358 -4.673 -9.102 491 HB3 GLU 67 3HB GLU 67 -8.021 -4.034 -10.048 492 HG2 GLU 67 2HG GLU 67 -6.803 -6.195 -9.498 493 HG3 GLU 67 3HG GLU 67 -8.361 -6.798 -8.936 494 H VAL 68 H VAL 68 -6.051 -4.648 -6.023 495 HA VAL 68 HA VAL 68 -6.016 -5.973 -4.171 496 HB VAL 68 HB VAL 68 -8.972 -6.422 -4.560 497 HG11 VAL 68 1HG1 VAL 68 -8.697 -7.652 -2.725 498 HG12 VAL 68 2HG1 VAL 68 -7.031 -7.104 -2.525 499 HG13 VAL 68 3HG1 VAL 68 -8.360 -6.150 -1.865 500 HG21 VAL 68 3HG2 VAL 68 -8.950 -4.435 -2.793 501 HG22 VAL 68 1HG2 VAL 68 -7.493 -4.004 -3.687 502 HG23 VAL 68 2HG2 VAL 68 -9.035 -4.146 -4.530 503 H GLU 69 H GLU 69 -5.002 -7.250 -6.168 504 HA GLU 69 HA GLU 69 -6.369 -9.851 -6.353 505 HB2 GLU 69 2HB GLU 69 -5.352 -8.235 -8.374 506 HB3 GLU 69 3HB GLU 69 -4.131 -9.484 -8.176 507 HG2 GLU 69 2HG GLU 69 -5.727 -10.123 -9.870 508 HG3 GLU 69 3HG GLU 69 -5.841 -11.204 -8.482 509 H HIS 70 H HIS 70 -5.611 -11.069 -4.722 510 HA HIS 70 HA HIS 70 -2.690 -11.381 -4.519 511 HB2 HIS 70 2HB HIS 70 -4.664 -11.436 -2.227 512 HB3 HIS 70 3HB HIS 70 -2.931 -11.719 -2.098 513 HD1 HIS 70 HD1 HIS 70 -1.399 -9.679 -2.084 514 HD2 HIS 70 HD2 HIS 70 -5.405 -8.737 -2.661 515 HE1 HIS 70 HE1 HIS 70 -1.546 -7.181 -1.832 516 H HIS 71 H HIS 71 -5.838 -12.887 -3.860 517 HA HIS 71 HA HIS 71 -4.711 -15.517 -3.616 518 HB2 HIS 71 2HB HIS 71 -7.002 -16.278 -3.391 519 HB3 HIS 71 3HB HIS 71 -6.777 -14.826 -2.421 520 HD1 HIS 71 HD1 HIS 71 -8.931 -16.261 -4.954 521 HD2 HIS 71 HD2 HIS 71 -7.852 -12.430 -3.760 522 HE1 HIS 71 HE1 HIS 71 -10.682 -14.737 -5.920 Start of MODEL 18 1 H1 MET 1 H MET 1 15.323 5.325 -5.084 2 HA MET 1 HA MET 1 13.103 6.432 -3.498 3 HB2 MET 1 2HB MET 1 13.260 4.195 -5.471 4 HB3 MET 1 3HB MET 1 12.086 4.088 -4.166 5 HG2 MET 1 2HG MET 1 10.952 5.023 -6.000 6 HG3 MET 1 3HG MET 1 11.252 6.349 -4.879 7 HE1 MET 1 3HE MET 1 13.346 5.616 -8.896 8 HE2 MET 1 1HE MET 1 13.992 4.785 -7.481 9 HE3 MET 1 2HE MET 1 12.334 4.484 -7.999 10 H LYS 2 H LYS 2 15.812 5.566 -2.599 11 HA LYS 2 HA LYS 2 15.258 3.174 -1.037 12 HB2 LYS 2 2HB LYS 2 17.593 3.334 -0.333 13 HB3 LYS 2 3HB LYS 2 17.461 3.420 -2.084 14 HG2 LYS 2 2HG LYS 2 17.455 6.006 -1.639 15 HG3 LYS 2 3HG LYS 2 18.239 5.525 -0.133 16 HD2 LYS 2 2HD LYS 2 19.199 4.527 -2.798 17 HD3 LYS 2 3HD LYS 2 19.735 6.075 -2.142 18 HE2 LYS 2 2HE LYS 2 20.421 4.827 -0.065 19 HE3 LYS 2 3HE LYS 2 20.108 3.335 -0.950 20 HZ1 LYS 2 3HZ LYS 2 21.834 3.771 -2.435 21 HZ2 LYS 2 1HZ LYS 2 22.476 4.209 -0.932 22 HZ3 LYS 2 2HZ LYS 2 21.939 5.403 -2.002 23 H THR 3 H THR 3 15.385 3.107 1.248 24 HA THR 3 HA THR 3 15.261 5.673 2.654 25 HB THR 3 HB THR 3 12.931 5.154 2.225 26 HG1 THR 3 HG1 THR 3 12.732 5.915 4.187 27 HG21 THR 3 3HG2 THR 3 13.794 2.464 2.672 28 HG22 THR 3 1HG2 THR 3 12.246 3.042 2.056 29 HG23 THR 3 2HG2 THR 3 12.486 2.846 3.792 30 H PHE 4 H PHE 4 15.569 5.493 4.960 31 HA PHE 4 HA PHE 4 17.496 3.478 5.627 32 HB2 PHE 4 2HB PHE 4 16.247 5.479 7.511 33 HB3 PHE 4 3HB PHE 4 17.805 4.674 7.673 34 HD1 PHE 4 HD2 PHE 4 19.008 5.017 5.057 35 HD2 PHE 4 HD1 PHE 4 16.671 7.737 7.351 36 HE1 PHE 4 HE2 PHE 4 20.101 6.907 3.924 37 HE2 PHE 4 HE1 PHE 4 17.760 9.632 6.220 38 HZ PHE 4 HZ PHE 4 19.478 9.218 4.505 39 H ALA 5 H ALA 5 17.087 1.543 6.447 40 HA ALA 5 HA ALA 5 14.424 0.861 7.338 41 HB1 ALA 5 1HB ALA 5 16.129 -0.567 5.948 42 HB2 ALA 5 2HB ALA 5 16.711 -1.037 7.545 43 HB3 ALA 5 3HB ALA 5 15.033 -1.337 7.095 44 H LEU 6 H LEU 6 13.745 0.609 9.383 45 HA LEU 6 HA LEU 6 15.755 0.740 11.532 46 HB2 LEU 6 2HB LEU 6 12.989 1.863 11.803 47 HB3 LEU 6 3HB LEU 6 14.407 2.171 12.803 48 HG LEU 6 HG LEU 6 14.082 3.127 9.960 49 HD11 LEU 6 1HD1 LEU 6 13.788 4.693 12.517 50 HD12 LEU 6 2HD1 LEU 6 12.445 4.144 11.515 51 HD13 LEU 6 3HD1 LEU 6 13.610 5.300 10.870 52 HD21 LEU 6 3HD2 LEU 6 15.992 4.558 10.510 53 HD22 LEU 6 1HD2 LEU 6 16.400 2.848 10.647 54 HD23 LEU 6 2HD2 LEU 6 16.100 3.801 12.100 55 H GLN 7 H GLN 7 14.402 0.218 13.721 56 HA GLN 7 HA GLN 7 13.992 -2.513 13.746 57 HB2 GLN 7 2HB GLN 7 14.235 -0.743 15.684 58 HB3 GLN 7 3HB GLN 7 12.477 -0.801 15.673 59 HG2 GLN 7 2HG GLN 7 12.466 -3.116 16.194 60 HG3 GLN 7 3HG GLN 7 14.205 -3.245 15.933 61 HE21 GLN 7 1HE2 GLN 7 12.462 -3.805 18.284 62 HE22 GLN 7 2HE2 GLN 7 13.171 -2.915 19.584 63 H GLY 8 H GLY 8 12.412 -3.809 13.076 64 HA2 GLY 8 2HA GLY 8 10.358 -4.543 12.357 65 HA3 GLY 8 3HA GLY 8 9.658 -3.232 13.294 66 H ASP 9 H ASP 9 11.969 -2.392 10.889 67 HA ASP 9 HA ASP 9 9.800 -1.616 9.052 68 HB2 ASP 9 2HB ASP 9 12.084 0.012 10.112 69 HB3 ASP 9 3HB ASP 9 11.435 0.358 8.511 70 H THR 10 H THR 10 11.690 -3.921 9.118 71 HA THR 10 HA THR 10 13.624 -3.520 7.058 72 HB THR 10 HB THR 10 14.111 -5.821 7.214 73 HG1 THR 10 HG1 THR 10 12.568 -7.252 7.411 74 HG21 THR 10 3HG2 THR 10 14.441 -4.405 9.321 75 HG22 THR 10 1HG2 THR 10 14.493 -6.157 9.510 76 HG23 THR 10 2HG2 THR 10 13.044 -5.262 9.970 77 H LEU 11 H LEU 11 13.515 -5.313 5.195 78 HA LEU 11 HA LEU 11 11.739 -4.434 3.293 79 HB2 LEU 11 2HB LEU 11 12.948 -7.188 3.512 80 HB3 LEU 11 3HB LEU 11 12.242 -6.494 2.054 81 HG LEU 11 HG LEU 11 14.724 -5.516 3.465 82 HD11 LEU 11 1HD1 LEU 11 15.214 -7.556 2.354 83 HD12 LEU 11 2HD1 LEU 11 15.804 -6.252 1.323 84 HD13 LEU 11 3HD1 LEU 11 14.295 -7.075 0.927 85 HD21 LEU 11 3HD2 LEU 11 12.999 -4.347 1.392 86 HD22 LEU 11 1HD2 LEU 11 14.723 -4.354 1.019 87 HD23 LEU 11 2HD2 LEU 11 14.143 -3.574 2.491 88 H ASP 12 H ASP 12 11.307 -6.992 5.664 89 HA ASP 12 HA ASP 12 9.015 -8.205 4.660 90 HB2 ASP 12 2HB ASP 12 10.103 -9.243 6.495 91 HB3 ASP 12 3HB ASP 12 9.988 -7.789 7.483 92 H ALA 13 H ALA 13 9.364 -5.297 6.633 93 HA ALA 13 HA ALA 13 6.488 -4.906 6.747 94 HB1 ALA 13 1HB ALA 13 7.196 -4.077 8.706 95 HB2 ALA 13 2HB ALA 13 8.832 -3.792 8.109 96 HB3 ALA 13 3HB ALA 13 7.555 -2.624 7.772 97 H ILE 14 H ILE 14 9.310 -3.178 5.428 98 HA ILE 14 HA ILE 14 8.031 -1.054 4.226 99 HB ILE 14 HB ILE 14 10.402 -2.571 3.131 100 HG12 ILE 14 2HG1 ILE 14 10.380 -0.087 4.852 101 HG13 ILE 14 3HG1 ILE 14 10.582 -1.711 5.501 102 HG21 ILE 14 1HG2 ILE 14 10.953 -0.515 1.958 103 HG22 ILE 14 2HG2 ILE 14 9.357 -1.091 1.479 104 HG23 ILE 14 3HG2 ILE 14 9.506 0.259 2.603 105 HD11 ILE 14 3HD1 ILE 14 12.648 -0.210 4.976 106 HD12 ILE 14 1HD1 ILE 14 12.686 -1.939 4.635 107 HD13 ILE 14 2HD1 ILE 14 12.394 -0.789 3.330 108 H CYS 15 H CYS 15 8.845 -4.159 2.668 109 HA CYS 15 HA CYS 15 7.674 -3.728 0.213 110 HB2 CYS 15 2HB CYS 15 7.944 -6.262 1.830 111 HB3 CYS 15 3HB CYS 15 7.332 -6.251 0.181 112 HG CYS 15 HG CYS 15 10.040 -4.588 -0.056 113 H VAL 16 H VAL 16 6.153 -4.311 3.268 114 HA VAL 16 HA VAL 16 3.575 -4.947 2.105 115 HB VAL 16 HB VAL 16 4.367 -4.447 4.977 116 HG11 VAL 16 1HG1 VAL 16 2.142 -5.612 5.409 117 HG12 VAL 16 2HG1 VAL 16 2.076 -3.938 4.856 118 HG13 VAL 16 3HG1 VAL 16 1.758 -5.254 3.726 119 HG21 VAL 16 3HG2 VAL 16 5.301 -6.484 3.783 120 HG22 VAL 16 1HG2 VAL 16 4.392 -6.788 5.264 121 HG23 VAL 16 2HG2 VAL 16 3.639 -7.069 3.694 122 H ARG 17 H ARG 17 4.971 -2.298 4.031 123 HA ARG 17 HA ARG 17 2.658 -0.663 3.920 124 HB2 ARG 17 2HB ARG 17 4.005 1.049 4.892 125 HB3 ARG 17 3HB ARG 17 4.522 -0.475 5.599 126 HG2 ARG 17 2HG ARG 17 6.603 -0.045 4.995 127 HG3 ARG 17 3HG ARG 17 6.108 -0.020 3.301 128 HD2 ARG 17 2HD ARG 17 5.777 2.360 5.106 129 HD3 ARG 17 3HD ARG 17 7.267 2.060 4.213 130 HE ARG 17 HE ARG 17 5.386 1.935 2.287 131 HH11 ARG 17 1HH1 ARG 17 6.075 4.272 4.773 132 HH12 ARG 17 2HH1 ARG 17 5.490 5.618 3.852 133 HH21 ARG 17 1HH2 ARG 17 4.613 3.698 1.064 134 HH22 ARG 17 2HH2 ARG 17 4.658 5.290 1.743 135 H TYR 18 H TYR 18 4.882 -1.499 1.560 136 HA TYR 18 HA TYR 18 4.409 0.974 0.039 137 HB2 TYR 18 2HB TYR 18 6.650 -0.957 0.161 138 HB3 TYR 18 3HB TYR 18 6.260 -0.331 -1.438 139 HD1 TYR 18 HD1 TYR 18 6.508 2.055 -1.934 140 HD2 TYR 18 HD2 TYR 18 7.596 0.468 1.860 141 HE1 TYR 18 HE1 TYR 18 7.770 4.109 -1.444 142 HE2 TYR 18 HE2 TYR 18 8.860 2.517 2.362 143 HH TYR 18 HH TYR 18 10.005 4.482 0.465 144 H TYR 19 H TYR 19 4.746 -2.530 -0.556 145 HA TYR 19 HA TYR 19 2.883 -2.265 -2.805 146 HB2 TYR 19 2HB TYR 19 4.466 -4.735 -2.134 147 HB3 TYR 19 3HB TYR 19 3.784 -4.258 -3.684 148 HD1 TYR 19 HD2 TYR 19 4.817 -2.298 -4.906 149 HD2 TYR 19 HD1 TYR 19 6.664 -4.132 -1.541 150 HE1 TYR 19 HE2 TYR 19 6.969 -1.299 -5.551 151 HE2 TYR 19 HE1 TYR 19 8.822 -3.136 -2.175 152 HH TYR 19 HH TYR 19 9.947 -2.170 -3.971 153 H GLY 20 H GLY 20 3.360 -3.933 0.254 154 HA2 GLY 20 2HA GLY 20 1.582 -4.596 1.663 155 HA3 GLY 20 3HA GLY 20 0.510 -4.598 0.271 156 H ARG 21 H ARG 21 3.615 -6.141 0.080 157 HA ARG 21 HA ARG 21 2.745 -8.740 0.869 158 HB2 ARG 21 2HB ARG 21 2.766 -9.804 -1.329 159 HB3 ARG 21 3HB ARG 21 1.518 -8.567 -1.249 160 HG2 ARG 21 2HG ARG 21 4.181 -7.807 -2.324 161 HG3 ARG 21 3HG ARG 21 3.114 -8.790 -3.329 162 HD2 ARG 21 2HD ARG 21 1.344 -6.967 -2.585 163 HD3 ARG 21 3HD ARG 21 2.797 -5.990 -2.381 164 HE ARG 21 HE ARG 21 3.125 -7.009 -4.848 165 HH11 ARG 21 1HH1 ARG 21 0.457 -5.386 -3.309 166 HH12 ARG 21 2HH1 ARG 21 -0.134 -4.684 -4.779 167 HH21 ARG 21 1HH2 ARG 21 2.357 -6.089 -6.790 168 HH22 ARG 21 2HH2 ARG 21 0.948 -5.085 -6.758 169 H THR 22 H THR 22 4.410 -10.365 0.580 170 HA THR 22 HA THR 22 7.079 -9.164 0.222 171 HB THR 22 HB THR 22 7.739 -11.255 1.687 172 HG1 THR 22 HG1 THR 22 6.007 -12.269 2.358 173 HG21 THR 22 3HG2 THR 22 7.130 -8.515 2.236 174 HG22 THR 22 1HG2 THR 22 8.322 -9.559 3.008 175 HG23 THR 22 2HG2 THR 22 6.672 -9.499 3.626 176 H GLU 23 H GLU 23 4.949 -11.781 -0.603 177 HA GLU 23 HA GLU 23 6.935 -13.464 -1.779 178 HB2 GLU 23 2HB GLU 23 4.779 -14.339 -0.976 179 HB3 GLU 23 3HB GLU 23 3.943 -13.407 -2.210 180 HG2 GLU 23 2HG GLU 23 4.142 -15.728 -2.867 181 HG3 GLU 23 3HG GLU 23 5.065 -14.690 -3.952 182 H GLY 24 H GLY 24 8.068 -12.878 -3.509 183 HA2 GLY 24 2HA GLY 24 8.197 -12.576 -5.865 184 HA3 GLY 24 3HA GLY 24 6.615 -11.814 -5.826 185 H VAL 25 H VAL 25 7.693 -10.285 -3.369 186 HA VAL 25 HA VAL 25 8.875 -8.120 -4.953 187 HB VAL 25 HB VAL 25 7.828 -7.957 -2.128 188 HG11 VAL 25 1HG1 VAL 25 9.379 -6.192 -3.523 189 HG12 VAL 25 2HG1 VAL 25 7.751 -5.599 -3.856 190 HG13 VAL 25 3HG1 VAL 25 8.305 -5.769 -2.190 191 HG21 VAL 25 3HG2 VAL 25 5.875 -8.490 -3.193 192 HG22 VAL 25 1HG2 VAL 25 5.901 -6.748 -3.470 193 HG23 VAL 25 2HG2 VAL 25 6.418 -7.851 -4.745 194 H VAL 26 H VAL 26 9.373 -9.911 -1.930 195 HA VAL 26 HA VAL 26 11.660 -8.656 -1.009 196 HB VAL 26 HB VAL 26 12.227 -10.796 0.105 197 HG11 VAL 26 1HG1 VAL 26 9.450 -9.690 0.205 198 HG12 VAL 26 2HG1 VAL 26 9.903 -11.052 1.231 199 HG13 VAL 26 3HG1 VAL 26 10.766 -9.519 1.366 200 HG21 VAL 26 3HG2 VAL 26 11.694 -12.482 -1.410 201 HG22 VAL 26 1HG2 VAL 26 10.429 -12.621 -0.189 202 HG23 VAL 26 2HG2 VAL 26 10.088 -11.825 -1.726 203 H GLU 27 H GLU 27 11.318 -11.118 -3.501 204 HA GLU 27 HA GLU 27 14.067 -11.703 -3.797 205 HB2 GLU 27 2HB GLU 27 11.782 -12.772 -4.796 206 HB3 GLU 27 3HB GLU 27 12.368 -11.897 -6.204 207 HG2 GLU 27 2HG GLU 27 14.301 -13.602 -4.742 208 HG3 GLU 27 3HG GLU 27 13.058 -14.400 -5.703 209 H THR 28 H THR 28 11.992 -9.215 -5.114 210 HA THR 28 HA THR 28 13.667 -8.331 -7.198 211 HB THR 28 HB THR 28 11.951 -6.391 -5.699 212 HG1 THR 28 HG1 THR 28 10.246 -7.410 -7.205 213 HG21 THR 28 3HG2 THR 28 12.456 -6.935 -8.626 214 HG22 THR 28 1HG2 THR 28 13.124 -5.610 -7.675 215 HG23 THR 28 2HG2 THR 28 11.392 -5.677 -7.999 216 H VAL 29 H VAL 29 13.115 -6.752 -4.043 217 HA VAL 29 HA VAL 29 15.167 -4.908 -4.176 218 HB VAL 29 HB VAL 29 14.248 -6.306 -1.662 219 HG11 VAL 29 1HG1 VAL 29 15.905 -5.051 -0.805 220 HG12 VAL 29 2HG1 VAL 29 15.981 -4.001 -2.221 221 HG13 VAL 29 3HG1 VAL 29 14.751 -3.730 -0.985 222 HG21 VAL 29 3HG2 VAL 29 13.013 -3.782 -1.979 223 HG22 VAL 29 1HG2 VAL 29 12.788 -4.673 -3.485 224 HG23 VAL 29 2HG2 VAL 29 12.254 -5.374 -1.957 225 H LEU 30 H LEU 30 15.271 -8.250 -3.013 226 HA LEU 30 HA LEU 30 17.845 -8.293 -1.975 227 HB2 LEU 30 2HB LEU 30 15.946 -10.106 -2.108 228 HB3 LEU 30 3HB LEU 30 16.844 -10.630 -3.531 229 HG LEU 30 HG LEU 30 18.873 -10.639 -1.872 230 HD11 LEU 30 1HD1 LEU 30 17.739 -11.580 0.353 231 HD12 LEU 30 2HD1 LEU 30 16.512 -10.401 -0.108 232 HD13 LEU 30 3HD1 LEU 30 18.179 -9.884 0.146 233 HD21 LEU 30 3HD2 LEU 30 16.813 -12.606 -2.538 234 HD22 LEU 30 1HD2 LEU 30 17.733 -12.991 -1.083 235 HD23 LEU 30 2HD2 LEU 30 18.572 -12.730 -2.612 236 H ALA 31 H ALA 31 16.787 -9.001 -5.297 237 HA ALA 31 HA ALA 31 19.284 -9.593 -6.383 238 HB1 ALA 31 1HB ALA 31 17.607 -10.131 -7.831 239 HB2 ALA 31 2HB ALA 31 16.690 -8.663 -7.491 240 HB3 ALA 31 3HB ALA 31 18.113 -8.592 -8.530 241 H ALA 32 H ALA 32 17.691 -6.489 -5.874 242 HA ALA 32 HA ALA 32 19.649 -4.957 -7.281 243 HB1 ALA 32 1HB ALA 32 17.922 -3.557 -7.175 244 HB2 ALA 32 2HB ALA 32 17.184 -4.451 -5.845 245 HB3 ALA 32 3HB ALA 32 18.409 -3.227 -5.512 246 H ASN 33 H ASN 33 19.273 -6.080 -3.997 247 HA ASN 33 HA ASN 33 21.856 -4.835 -3.333 248 HB2 ASN 33 2HB ASN 33 19.293 -4.822 -1.807 249 HB3 ASN 33 3HB ASN 33 20.796 -4.939 -0.896 250 HD21 ASN 33 1HD2 ASN 33 19.187 -3.039 -3.403 251 HD22 ASN 33 2HD2 ASN 33 19.909 -1.531 -2.970 252 HA PRO 34 HA PRO 34 22.042 -9.442 -2.778 253 HB2 PRO 34 2HB PRO 34 24.446 -9.727 -4.006 254 HB3 PRO 34 3HB PRO 34 22.912 -9.734 -4.884 255 HG2 PRO 34 2HG PRO 34 24.877 -7.505 -4.524 256 HG3 PRO 34 3HG PRO 34 24.000 -7.998 -5.984 257 HD2 PRO 34 2HD PRO 34 23.227 -5.898 -4.460 258 HD3 PRO 34 3HD PRO 34 22.070 -6.914 -5.343 259 H GLY 35 H GLY 35 23.011 -10.399 -1.070 260 HA2 GLY 35 2HA GLY 35 24.729 -10.812 0.481 261 HA3 GLY 35 3HA GLY 35 25.502 -9.312 -0.009 262 H LEU 36 H LEU 36 22.681 -8.076 0.283 263 HA LEU 36 HA LEU 36 23.104 -7.005 2.871 264 HB2 LEU 36 2HB LEU 36 21.851 -6.048 0.788 265 HB3 LEU 36 3HB LEU 36 20.457 -6.862 1.495 266 HG LEU 36 HG LEU 36 20.527 -4.485 2.075 267 HD11 LEU 36 1HD1 LEU 36 21.153 -5.969 4.592 268 HD12 LEU 36 2HD1 LEU 36 19.725 -6.383 3.645 269 HD13 LEU 36 3HD1 LEU 36 19.914 -4.752 4.286 270 HD21 LEU 36 3HD2 LEU 36 22.830 -4.837 3.891 271 HD22 LEU 36 1HD2 LEU 36 22.304 -3.421 2.979 272 HD23 LEU 36 2HD2 LEU 36 23.198 -4.708 2.170 273 H ALA 37 H ALA 37 20.951 -9.488 1.598 274 HA ALA 37 HA ALA 37 19.334 -9.834 3.862 275 HB1 ALA 37 1HB ALA 37 19.632 -12.353 2.649 276 HB2 ALA 37 2HB ALA 37 18.335 -11.182 2.411 277 HB3 ALA 37 3HB ALA 37 19.749 -11.157 1.358 278 H GLU 38 H GLU 38 22.603 -10.736 3.249 279 HA GLU 38 HA GLU 38 22.830 -12.901 5.048 280 HB2 GLU 38 2HB GLU 38 24.925 -10.932 4.113 281 HB3 GLU 38 3HB GLU 38 25.262 -12.431 4.967 282 HG2 GLU 38 2HG GLU 38 23.716 -12.472 2.413 283 HG3 GLU 38 3HG GLU 38 25.474 -12.347 2.392 284 H LEU 39 H LEU 39 22.370 -9.588 5.572 285 HA LEU 39 HA LEU 39 23.805 -9.020 7.861 286 HB2 LEU 39 2HB LEU 39 22.435 -7.398 6.628 287 HB3 LEU 39 3HB LEU 39 20.977 -8.185 7.230 288 HG LEU 39 HG LEU 39 21.751 -6.002 8.346 289 HD11 LEU 39 1HD1 LEU 39 21.350 -8.255 10.277 290 HD12 LEU 39 2HD1 LEU 39 20.070 -7.776 9.162 291 HD13 LEU 39 3HD1 LEU 39 20.706 -6.613 10.326 292 HD21 LEU 39 3HD2 LEU 39 24.136 -7.096 8.551 293 HD22 LEU 39 1HD2 LEU 39 23.463 -7.747 10.045 294 HD23 LEU 39 2HD2 LEU 39 23.525 -6.002 9.792 295 H GLY 40 H GLY 40 20.527 -10.416 7.675 296 HA2 GLY 40 2HA GLY 40 20.519 -12.424 9.363 297 HA3 GLY 40 3HA GLY 40 20.697 -11.110 10.516 298 H ALA 41 H ALA 41 18.719 -11.595 11.505 299 HA ALA 41 HA ALA 41 16.269 -11.817 10.115 300 HB1 ALA 41 1HB ALA 41 17.011 -11.329 12.970 301 HB2 ALA 41 2HB ALA 41 15.328 -11.209 12.453 302 HB3 ALA 41 3HB ALA 41 16.210 -12.722 12.243 303 H VAL 42 H VAL 42 17.022 -9.210 12.410 304 HA VAL 42 HA VAL 42 15.477 -7.372 10.734 305 HB VAL 42 HB VAL 42 14.918 -7.592 13.162 306 HG11 VAL 42 1HG1 VAL 42 16.343 -6.776 14.849 307 HG12 VAL 42 2HG1 VAL 42 17.359 -7.802 13.835 308 HG13 VAL 42 3HG1 VAL 42 17.443 -6.047 13.680 309 HG21 VAL 42 3HG2 VAL 42 14.088 -5.648 12.215 310 HG22 VAL 42 1HG2 VAL 42 15.044 -5.031 13.563 311 HG23 VAL 42 2HG2 VAL 42 15.695 -4.981 11.925 312 H LEU 43 H LEU 43 16.329 -5.583 9.802 313 HA LEU 43 HA LEU 43 19.180 -5.450 9.518 314 HB2 LEU 43 2HB LEU 43 17.172 -3.425 8.564 315 HB3 LEU 43 3HB LEU 43 18.788 -3.727 7.929 316 HG LEU 43 HG LEU 43 16.894 -5.990 7.788 317 HD11 LEU 43 1HD1 LEU 43 16.624 -3.763 5.797 318 HD12 LEU 43 2HD1 LEU 43 15.588 -3.864 7.221 319 HD13 LEU 43 3HD1 LEU 43 15.588 -5.170 6.036 320 HD21 LEU 43 3HD2 LEU 43 18.632 -6.636 6.551 321 HD22 LEU 43 1HD2 LEU 43 19.285 -5.000 6.472 322 HD23 LEU 43 2HD2 LEU 43 18.048 -5.511 5.323 323 HA PRO 44 HA PRO 44 20.182 -2.516 12.628 324 HB2 PRO 44 2HB PRO 44 22.240 -1.200 11.444 325 HB3 PRO 44 3HB PRO 44 22.382 -2.851 12.059 326 HG2 PRO 44 2HG PRO 44 21.937 -1.907 9.254 327 HG3 PRO 44 3HG PRO 44 23.011 -3.188 9.846 328 HD2 PRO 44 2HD PRO 44 20.600 -3.709 8.730 329 HD3 PRO 44 3HD PRO 44 21.298 -4.722 10.009 330 H HIS 45 H HIS 45 19.347 -0.619 13.245 331 HA HIS 45 HA HIS 45 17.722 0.964 11.692 332 HB2 HIS 45 2HB HIS 45 18.222 2.770 13.465 333 HB3 HIS 45 3HB HIS 45 17.514 1.252 14.009 334 HD1 HIS 45 HD1 HIS 45 18.849 -0.137 15.644 335 HD2 HIS 45 HD2 HIS 45 20.992 3.081 14.123 336 HE1 HIS 45 HE1 HIS 45 20.952 -0.019 17.019 337 H GLY 46 H GLY 46 18.350 1.815 9.795 338 HA2 GLY 46 2HA GLY 46 19.342 3.977 9.012 339 HA3 GLY 46 3HA GLY 46 20.823 3.434 9.787 340 H THR 47 H THR 47 19.206 0.842 8.410 341 HA THR 47 HA THR 47 21.230 0.414 6.470 342 HB THR 47 HB THR 47 18.552 -0.958 6.778 343 HG1 THR 47 HG1 THR 47 20.987 -2.131 7.515 344 HG21 THR 47 3HG2 THR 47 21.017 -1.797 5.246 345 HG22 THR 47 1HG2 THR 47 19.480 -1.294 4.544 346 HG23 THR 47 2HG2 THR 47 19.574 -2.781 5.487 347 H ALA 48 H ALA 48 21.396 1.207 4.485 348 HA ALA 48 HA ALA 48 19.176 2.675 3.324 349 HB1 ALA 48 1HB ALA 48 21.319 2.655 1.519 350 HB2 ALA 48 2HB ALA 48 20.846 3.954 2.615 351 HB3 ALA 48 3HB ALA 48 22.039 2.759 3.126 352 H VAL 49 H VAL 49 17.679 1.291 2.511 353 HA VAL 49 HA VAL 49 18.606 -0.742 0.592 354 HB VAL 49 HB VAL 49 15.930 -0.667 1.986 355 HG11 VAL 49 1HG1 VAL 49 15.374 -2.269 0.555 356 HG12 VAL 49 2HG1 VAL 49 16.968 -2.183 -0.196 357 HG13 VAL 49 3HG1 VAL 49 16.693 -3.262 1.173 358 HG21 VAL 49 3HG2 VAL 49 16.794 -2.444 3.430 359 HG22 VAL 49 1HG2 VAL 49 18.382 -2.282 2.680 360 HG23 VAL 49 2HG2 VAL 49 17.715 -0.952 3.628 361 H GLU 50 H GLU 50 17.787 -0.791 -1.456 362 HA GLU 50 HA GLU 50 16.349 1.597 -2.315 363 HB2 GLU 50 2HB GLU 50 18.331 1.039 -3.579 364 HB3 GLU 50 3HB GLU 50 17.739 -0.591 -3.866 365 HG2 GLU 50 2HG GLU 50 17.428 0.652 -5.861 366 HG3 GLU 50 3HG GLU 50 15.841 0.398 -5.139 367 H LEU 51 H LEU 51 14.353 1.596 -3.250 368 HA LEU 51 HA LEU 51 12.864 -0.936 -3.107 369 HB2 LEU 51 2HB LEU 51 11.743 1.858 -3.159 370 HB3 LEU 51 3HB LEU 51 10.869 0.364 -2.828 371 HG LEU 51 HG LEU 51 13.044 1.451 -1.048 372 HD11 LEU 51 1HD1 LEU 51 11.294 3.079 -1.061 373 HD12 LEU 51 2HD1 LEU 51 11.164 2.145 0.429 374 HD13 LEU 51 3HD1 LEU 51 10.059 1.829 -0.909 375 HD21 LEU 51 3HD2 LEU 51 10.860 -0.501 -0.378 376 HD22 LEU 51 1HD2 LEU 51 12.337 -0.149 0.521 377 HD23 LEU 51 2HD2 LEU 51 12.424 -1.016 -1.012 378 HA PRO 52 HA PRO 52 13.156 -0.328 -7.617 379 HB2 PRO 52 2HB PRO 52 12.855 -2.963 -8.194 380 HB3 PRO 52 3HB PRO 52 14.408 -2.250 -7.744 381 HG2 PRO 52 2HG PRO 52 12.467 -3.782 -6.057 382 HG3 PRO 52 3HG PRO 52 14.235 -3.904 -6.118 383 HD2 PRO 52 2HD PRO 52 12.935 -2.540 -4.174 384 HD3 PRO 52 3HD PRO 52 14.534 -2.056 -4.774 385 H ASP 53 H ASP 53 11.574 -0.379 -9.210 386 HA ASP 53 HA ASP 53 9.469 -0.308 -10.069 387 HB2 ASP 53 2HB ASP 53 8.983 -2.654 -8.220 388 HB3 ASP 53 3HB ASP 53 7.988 -2.199 -9.600 389 H VAL 54 H VAL 54 9.744 1.651 -8.375 390 HA VAL 54 HA VAL 54 7.258 1.642 -6.794 391 HB VAL 54 HB VAL 54 9.887 2.918 -6.028 392 HG11 VAL 54 1HG1 VAL 54 8.436 3.370 -3.881 393 HG12 VAL 54 2HG1 VAL 54 8.415 4.491 -5.243 394 HG13 VAL 54 3HG1 VAL 54 7.107 3.324 -5.039 395 HG21 VAL 54 3HG2 VAL 54 9.872 0.572 -5.528 396 HG22 VAL 54 1HG2 VAL 54 9.647 1.461 -4.021 397 HG23 VAL 54 2HG2 VAL 54 8.268 0.688 -4.804 398 H GLN 55 H GLN 55 6.028 3.498 -6.845 399 HA GLN 55 HA GLN 55 6.337 5.164 -9.135 400 HB2 GLN 55 2HB GLN 55 4.295 6.229 -8.428 401 HB3 GLN 55 3HB GLN 55 4.136 4.494 -8.191 402 HG2 GLN 55 2HG GLN 55 4.531 4.741 -5.823 403 HG3 GLN 55 3HG GLN 55 4.820 6.468 -6.026 404 HE21 GLN 55 1HE2 GLN 55 2.353 4.033 -6.787 405 HE22 GLN 55 2HE2 GLN 55 1.001 5.026 -6.373 406 H THR 56 H THR 56 5.620 7.674 -8.384 407 HA THR 56 HA THR 56 6.434 9.672 -7.652 408 HB THR 56 HB THR 56 7.936 8.238 -5.474 409 HG1 THR 56 HG1 THR 56 6.062 8.026 -4.344 410 HG21 THR 56 3HG2 THR 56 6.923 10.983 -5.976 411 HG22 THR 56 1HG2 THR 56 8.409 10.452 -5.190 412 HG23 THR 56 2HG2 THR 56 6.880 10.392 -4.315 413 H ALA 57 H ALA 57 7.851 8.274 -9.660 414 HA ALA 57 HA ALA 57 10.448 9.555 -9.370 415 HB1 ALA 57 1HB ALA 57 10.713 6.871 -10.503 416 HB2 ALA 57 2HB ALA 57 11.737 7.724 -9.347 417 HB3 ALA 57 3HB ALA 57 10.284 6.893 -8.792 418 HA PRO 58 HA PRO 58 9.986 10.476 -13.635 419 HB2 PRO 58 2HB PRO 58 12.542 10.344 -14.542 420 HB3 PRO 58 3HB PRO 58 11.959 11.646 -13.498 421 HG2 PRO 58 2HG PRO 58 13.516 9.193 -12.777 422 HG3 PRO 58 3HG PRO 58 13.733 10.861 -12.215 423 HD2 PRO 58 2HD PRO 58 12.467 8.979 -10.736 424 HD3 PRO 58 3HD PRO 58 12.026 10.698 -10.675 425 H VAL 59 H VAL 59 8.788 8.473 -14.057 426 HA VAL 59 HA VAL 59 10.351 6.631 -15.742 427 HB VAL 59 HB VAL 59 8.884 4.787 -15.064 428 HG11 VAL 59 1HG1 VAL 59 9.672 4.651 -12.644 429 HG12 VAL 59 2HG1 VAL 59 10.913 4.863 -13.881 430 HG13 VAL 59 3HG1 VAL 59 10.391 6.239 -12.909 431 HG21 VAL 59 3HG2 VAL 59 7.551 6.957 -13.537 432 HG22 VAL 59 1HG2 VAL 59 6.857 5.572 -14.379 433 HG23 VAL 59 2HG2 VAL 59 7.615 5.355 -12.802 434 H ALA 60 H ALA 60 8.516 5.169 -16.941 435 HA ALA 60 HA ALA 60 6.920 7.139 -18.418 436 HB1 ALA 60 1HB ALA 60 7.659 6.105 -20.234 437 HB2 ALA 60 2HB ALA 60 8.561 4.974 -19.225 438 HB3 ALA 60 3HB ALA 60 6.903 4.603 -19.700 439 H GLU 61 H GLU 61 4.954 5.837 -19.545 440 HA GLU 61 HA GLU 61 3.133 5.330 -17.412 441 HB2 GLU 61 2HB GLU 61 2.652 6.356 -19.729 442 HB3 GLU 61 3HB GLU 61 2.595 4.695 -20.302 443 HG2 GLU 61 2HG GLU 61 0.376 5.627 -19.784 444 HG3 GLU 61 3HG GLU 61 0.765 4.190 -18.839 445 H THR 62 H THR 62 1.727 3.376 -17.351 446 HA THR 62 HA THR 62 3.100 0.924 -18.189 447 HB THR 62 HB THR 62 2.442 -0.059 -15.908 448 HG1 THR 62 HG1 THR 62 2.511 2.702 -15.199 449 HG21 THR 62 3HG2 THR 62 4.740 1.523 -16.711 450 HG22 THR 62 1HG2 THR 62 4.677 -0.004 -15.831 451 HG23 THR 62 2HG2 THR 62 4.517 1.522 -14.962 452 H VAL 63 H VAL 63 1.694 -1.019 -17.951 453 HA VAL 63 HA VAL 63 -1.093 -0.797 -17.551 454 HB VAL 63 HB VAL 63 -0.970 0.471 -19.672 455 HG11 VAL 63 1HG1 VAL 63 -0.387 -1.971 -21.233 456 HG12 VAL 63 2HG1 VAL 63 0.009 -0.284 -21.570 457 HG13 VAL 63 3HG1 VAL 63 0.978 -1.206 -20.420 458 HG21 VAL 63 3HG2 VAL 63 -2.322 -1.977 -20.564 459 HG22 VAL 63 1HG2 VAL 63 -2.770 -1.432 -18.948 460 HG23 VAL 63 2HG2 VAL 63 -2.959 -0.349 -20.327 461 H ASN 64 H ASN 64 -2.043 -2.784 -17.430 462 HA ASN 64 HA ASN 64 -0.412 -5.089 -18.273 463 HB2 ASN 64 2HB ASN 64 -0.951 -6.261 -16.289 464 HB3 ASN 64 3HB ASN 64 -0.514 -4.638 -15.760 465 HD21 ASN 64 1HD2 ASN 64 -2.153 -6.640 -14.438 466 HD22 ASN 64 2HD2 ASN 64 -3.693 -5.904 -14.174 467 H LEU 65 H LEU 65 -1.813 -7.155 -18.293 468 HA LEU 65 HA LEU 65 -4.563 -6.653 -19.122 469 HB2 LEU 65 2HB LEU 65 -2.425 -7.820 -20.879 470 HB3 LEU 65 3HB LEU 65 -4.136 -8.143 -21.149 471 HG LEU 65 HG LEU 65 -3.032 -5.347 -21.076 472 HD11 LEU 65 1HD1 LEU 65 -2.882 -7.380 -23.224 473 HD12 LEU 65 2HD1 LEU 65 -1.815 -6.023 -22.866 474 HD13 LEU 65 3HD1 LEU 65 -3.351 -5.744 -23.688 475 HD21 LEU 65 3HD2 LEU 65 -5.102 -5.246 -22.730 476 HD22 LEU 65 1HD2 LEU 65 -5.295 -5.113 -20.982 477 HD23 LEU 65 2HD2 LEU 65 -5.603 -6.651 -21.788 478 H TRP 66 H TRP 66 -5.913 -8.255 -18.547 479 HA TRP 66 HA TRP 66 -5.119 -10.266 -16.790 480 HB2 TRP 66 2HB TRP 66 -7.609 -10.172 -18.507 481 HB3 TRP 66 3HB TRP 66 -7.381 -11.188 -17.086 482 HD1 TRP 66 HD1 TRP 66 -6.138 -9.019 -15.123 483 HE1 TRP 66 HE1 TRP 66 -7.634 -7.139 -14.202 484 HE3 TRP 66 HE3 TRP 66 -9.825 -9.109 -18.663 485 HZ2 TRP 66 HZ2 TRP 66 -10.058 -5.864 -14.885 486 HZ3 TRP 66 HZ3 TRP 66 -11.698 -7.527 -18.455 487 HH2 TRP 66 HH2 TRP 66 -11.810 -5.939 -16.604 488 H GLU 67 H GLU 67 -4.510 -12.354 -17.009 489 HA GLU 67 HA GLU 67 -4.573 -13.555 -19.687 490 HB2 GLU 67 2HB GLU 67 -2.177 -13.278 -17.883 491 HB3 GLU 67 3HB GLU 67 -2.261 -14.512 -19.132 492 HG2 GLU 67 2HG GLU 67 -2.575 -12.747 -20.819 493 HG3 GLU 67 3HG GLU 67 -2.401 -11.535 -19.551 494 H VAL 68 H VAL 68 -6.404 -14.124 -17.734 495 HA VAL 68 HA VAL 68 -5.639 -16.863 -16.977 496 HB VAL 68 HB VAL 68 -7.272 -14.979 -15.269 497 HG11 VAL 68 1HG1 VAL 68 -8.167 -16.993 -14.691 498 HG12 VAL 68 2HG1 VAL 68 -6.723 -17.894 -15.157 499 HG13 VAL 68 3HG1 VAL 68 -6.755 -17.002 -13.635 500 HG21 VAL 68 3HG2 VAL 68 -5.040 -14.294 -15.035 501 HG22 VAL 68 1HG2 VAL 68 -5.321 -15.372 -13.668 502 HG23 VAL 68 2HG2 VAL 68 -4.436 -15.950 -15.079 503 H GLU 69 H GLU 69 -6.733 -17.553 -18.882 504 HA GLU 69 HA GLU 69 -9.551 -17.991 -18.449 505 HB2 GLU 69 2HB GLU 69 -9.152 -15.735 -19.742 506 HB3 GLU 69 3HB GLU 69 -8.873 -16.804 -21.110 507 HG2 GLU 69 2HG GLU 69 -11.101 -17.821 -20.689 508 HG3 GLU 69 3HG GLU 69 -11.372 -16.597 -19.449 509 H HIS 70 H HIS 70 -10.023 -19.997 -19.055 510 HA HIS 70 HA HIS 70 -8.130 -21.414 -20.783 511 HB2 HIS 70 2HB HIS 70 -9.198 -23.467 -19.920 512 HB3 HIS 70 3HB HIS 70 -8.579 -22.450 -18.622 513 HD1 HIS 70 HD1 HIS 70 -11.845 -23.397 -20.277 514 HD2 HIS 70 HD2 HIS 70 -10.438 -21.693 -16.759 515 HE1 HIS 70 HE1 HIS 70 -13.852 -23.203 -18.775 516 H HIS 71 H HIS 71 -11.417 -20.307 -20.636 517 HA HIS 71 HA HIS 71 -12.165 -21.833 -23.009 518 HB2 HIS 71 2HB HIS 71 -13.686 -21.492 -20.966 519 HB3 HIS 71 3HB HIS 71 -13.911 -19.850 -21.561 520 HD1 HIS 71 HD1 HIS 71 -14.476 -20.077 -24.418 521 HD2 HIS 71 HD2 HIS 71 -15.803 -22.962 -21.740 522 HE1 HIS 71 HE1 HIS 71 -16.398 -21.224 -25.564 Start of MODEL 19 1 H1 MET 1 H MET 1 12.587 -1.737 -12.722 2 HA MET 1 HA MET 1 14.653 0.192 -11.910 3 HB2 MET 1 2HB MET 1 11.758 0.110 -11.133 4 HB3 MET 1 3HB MET 1 12.950 0.754 -10.012 5 HG2 MET 1 2HG MET 1 12.168 2.627 -11.129 6 HG3 MET 1 3HG MET 1 13.684 2.255 -11.945 7 HE1 MET 1 3HE MET 1 9.611 1.110 -12.763 8 HE2 MET 1 1HE MET 1 10.102 2.522 -11.828 9 HE3 MET 1 2HE MET 1 9.598 2.709 -13.507 10 H LYS 2 H LYS 2 15.479 -2.246 -11.835 11 HA LYS 2 HA LYS 2 15.122 -3.141 -9.051 12 HB2 LYS 2 2HB LYS 2 15.467 -5.437 -9.777 13 HB3 LYS 2 3HB LYS 2 14.107 -4.729 -10.638 14 HG2 LYS 2 2HG LYS 2 15.950 -4.185 -12.433 15 HG3 LYS 2 3HG LYS 2 16.785 -5.527 -11.647 16 HD2 LYS 2 2HD LYS 2 13.935 -5.734 -12.585 17 HD3 LYS 2 3HD LYS 2 15.304 -6.097 -13.639 18 HE2 LYS 2 2HE LYS 2 16.009 -7.885 -12.261 19 HE3 LYS 2 3HE LYS 2 14.943 -7.389 -10.947 20 HZ1 LYS 2 3HZ LYS 2 14.403 -9.173 -13.031 21 HZ2 LYS 2 1HZ LYS 2 13.385 -7.836 -13.229 22 HZ3 LYS 2 2HZ LYS 2 13.379 -8.695 -11.772 23 H THR 3 H THR 3 16.967 -3.987 -7.999 24 HA THR 3 HA THR 3 19.540 -3.600 -9.347 25 HB THR 3 HB THR 3 19.231 -1.520 -8.170 26 HG1 THR 3 HG1 THR 3 20.953 -1.975 -6.425 27 HG21 THR 3 3HG2 THR 3 18.878 -3.093 -5.622 28 HG22 THR 3 1HG2 THR 3 17.532 -2.437 -6.552 29 HG23 THR 3 2HG2 THR 3 18.727 -1.351 -5.844 30 H PHE 4 H PHE 4 21.354 -4.579 -8.152 31 HA PHE 4 HA PHE 4 20.624 -7.181 -7.196 32 HB2 PHE 4 2HB PHE 4 23.383 -5.958 -7.144 33 HB3 PHE 4 3HB PHE 4 22.960 -7.666 -7.197 34 HD1 PHE 4 HD1 PHE 4 21.061 -7.906 -9.316 35 HD2 PHE 4 HD2 PHE 4 24.489 -5.395 -9.072 36 HE1 PHE 4 HE1 PHE 4 21.203 -7.866 -11.773 37 HE2 PHE 4 HE2 PHE 4 24.635 -5.350 -11.528 38 HZ PHE 4 HZ PHE 4 22.991 -6.586 -12.881 39 H ALA 5 H ALA 5 20.711 -7.994 -5.154 40 HA ALA 5 HA ALA 5 20.949 -6.032 -2.995 41 HB1 ALA 5 1HB ALA 5 19.854 -8.841 -2.905 42 HB2 ALA 5 2HB ALA 5 19.766 -7.636 -1.619 43 HB3 ALA 5 3HB ALA 5 18.892 -7.379 -3.129 44 H LEU 6 H LEU 6 22.969 -5.843 -2.250 45 HA LEU 6 HA LEU 6 24.595 -8.269 -1.933 46 HB2 LEU 6 2HB LEU 6 25.637 -5.482 -1.623 47 HB3 LEU 6 3HB LEU 6 26.507 -6.951 -2.061 48 HG LEU 6 HG LEU 6 24.534 -5.546 -3.859 49 HD11 LEU 6 1HD1 LEU 6 26.900 -4.488 -3.149 50 HD12 LEU 6 2HD1 LEU 6 26.181 -4.290 -4.746 51 HD13 LEU 6 3HD1 LEU 6 27.415 -5.523 -4.481 52 HD21 LEU 6 3HD2 LEU 6 26.525 -7.222 -5.106 53 HD22 LEU 6 1HD2 LEU 6 24.767 -7.264 -5.250 54 HD23 LEU 6 2HD2 LEU 6 25.565 -8.132 -3.938 55 H GLN 7 H GLN 7 26.333 -7.694 -0.026 56 HA GLN 7 HA GLN 7 25.027 -8.169 2.359 57 HB2 GLN 7 2HB GLN 7 27.708 -7.777 1.512 58 HB3 GLN 7 3HB GLN 7 27.451 -6.763 2.926 59 HG2 GLN 7 2HG GLN 7 26.437 -8.880 3.986 60 HG3 GLN 7 3HG GLN 7 27.257 -9.736 2.680 61 HE21 GLN 7 1HE2 GLN 7 29.583 -8.383 2.435 62 HE22 GLN 7 2HE2 GLN 7 30.513 -8.515 3.886 63 H GLY 8 H GLY 8 23.816 -6.957 3.650 64 HA2 GLY 8 2HA GLY 8 22.987 -5.126 4.770 65 HA3 GLY 8 3HA GLY 8 24.460 -4.273 4.333 66 H ASP 9 H ASP 9 22.694 -5.630 1.734 67 HA ASP 9 HA ASP 9 21.510 -2.998 1.136 68 HB2 ASP 9 2HB ASP 9 23.102 -4.843 -0.611 69 HB3 ASP 9 3HB ASP 9 21.888 -3.790 -1.330 70 H THR 10 H THR 10 20.398 -5.475 2.369 71 HA THR 10 HA THR 10 18.688 -6.718 0.457 72 HB THR 10 HB THR 10 17.716 -7.897 2.247 73 HG1 THR 10 HG1 THR 10 18.674 -5.815 3.946 74 HG21 THR 10 3HG2 THR 10 20.341 -8.002 1.906 75 HG22 THR 10 1HG2 THR 10 19.542 -8.914 3.186 76 HG23 THR 10 2HG2 THR 10 20.339 -7.385 3.558 77 H LEU 11 H LEU 11 16.199 -6.765 1.233 78 HA LEU 11 HA LEU 11 15.015 -4.465 0.302 79 HB2 LEU 11 2HB LEU 11 13.771 -6.289 2.347 80 HB3 LEU 11 3HB LEU 11 12.940 -5.296 1.152 81 HG LEU 11 HG LEU 11 14.614 -7.744 0.597 82 HD11 LEU 11 1HD1 LEU 11 12.528 -8.406 1.503 83 HD12 LEU 11 2HD1 LEU 11 12.404 -8.601 -0.245 84 HD13 LEU 11 3HD1 LEU 11 11.653 -7.213 0.542 85 HD21 LEU 11 3HD2 LEU 11 13.380 -7.282 -1.713 86 HD22 LEU 11 1HD2 LEU 11 14.964 -6.605 -1.337 87 HD23 LEU 11 2HD2 LEU 11 13.516 -5.616 -1.150 88 H ASP 12 H ASP 12 15.641 -5.365 3.676 89 HA ASP 12 HA ASP 12 14.405 -3.236 4.949 90 HB2 ASP 12 2HB ASP 12 15.205 -4.991 6.314 91 HB3 ASP 12 3HB ASP 12 16.838 -4.863 5.664 92 H ALA 13 H ALA 13 17.489 -3.372 3.297 93 HA ALA 13 HA ALA 13 18.247 -0.713 4.184 94 HB1 ALA 13 1HB ALA 13 19.582 -2.973 2.945 95 HB2 ALA 13 2HB ALA 13 20.013 -1.438 2.190 96 HB3 ALA 13 3HB ALA 13 20.245 -1.664 3.924 97 H ILE 14 H ILE 14 17.749 -2.272 1.010 98 HA ILE 14 HA ILE 14 17.833 -0.046 -0.595 99 HB ILE 14 HB ILE 14 15.998 -2.424 -0.912 100 HG12 ILE 14 2HG1 ILE 14 18.658 -1.947 -2.250 101 HG13 ILE 14 3HG1 ILE 14 18.521 -2.806 -0.719 102 HG21 ILE 14 1HG2 ILE 14 16.000 -1.838 -3.303 103 HG22 ILE 14 2HG2 ILE 14 15.264 -0.585 -2.304 104 HG23 ILE 14 3HG2 ILE 14 16.901 -0.369 -2.925 105 HD11 ILE 14 3HD1 ILE 14 17.052 -4.449 -1.805 106 HD12 ILE 14 1HD1 ILE 14 17.278 -3.608 -3.338 107 HD13 ILE 14 2HD1 ILE 14 18.653 -4.372 -2.540 108 H CYS 15 H CYS 15 14.954 -1.398 1.005 109 HA CYS 15 HA CYS 15 13.065 0.401 0.092 110 HB2 CYS 15 2HB CYS 15 13.296 -1.087 2.702 111 HB3 CYS 15 3HB CYS 15 11.906 -0.075 2.328 112 HG CYS 15 HG CYS 15 10.862 -2.437 1.715 113 H VAL 16 H VAL 16 15.454 0.777 2.626 114 HA VAL 16 HA VAL 16 14.354 3.308 3.511 115 HB VAL 16 HB VAL 16 16.937 1.942 4.284 116 HG11 VAL 16 1HG1 VAL 16 16.361 3.558 6.351 117 HG12 VAL 16 2HG1 VAL 16 17.399 4.035 5.006 118 HG13 VAL 16 3HG1 VAL 16 15.703 4.519 5.027 119 HG21 VAL 16 3HG2 VAL 16 14.747 0.768 4.828 120 HG22 VAL 16 1HG2 VAL 16 15.829 1.097 6.182 121 HG23 VAL 16 2HG2 VAL 16 14.417 2.118 5.914 122 H ARG 17 H ARG 17 16.660 2.174 1.227 123 HA ARG 17 HA ARG 17 18.077 4.697 1.052 124 HB2 ARG 17 2HB ARG 17 18.260 2.218 -0.671 125 HB3 ARG 17 3HB ARG 17 19.338 3.606 -0.759 126 HG2 ARG 17 2HG ARG 17 19.496 2.927 1.882 127 HG3 ARG 17 3HG ARG 17 19.320 1.356 1.097 128 HD2 ARG 17 2HD ARG 17 21.279 1.595 -0.111 129 HD3 ARG 17 3HD ARG 17 21.262 3.354 0.017 130 HE ARG 17 HE ARG 17 22.400 1.493 1.882 131 HH11 ARG 17 1HH1 ARG 17 21.045 4.675 1.493 132 HH12 ARG 17 2HH1 ARG 17 21.864 5.335 2.869 133 HH21 ARG 17 1HH2 ARG 17 23.485 2.349 3.697 134 HH22 ARG 17 2HH2 ARG 17 23.252 4.011 4.122 135 H TYR 18 H TYR 18 15.312 3.237 -0.322 136 HA TYR 18 HA TYR 18 15.309 5.156 -2.551 137 HB2 TYR 18 2HB TYR 18 13.981 2.492 -2.151 138 HB3 TYR 18 3HB TYR 18 13.340 3.641 -3.321 139 HD1 TYR 18 HD1 TYR 18 16.589 2.059 -2.363 140 HD2 TYR 18 HD2 TYR 18 14.109 3.522 -5.496 141 HE1 TYR 18 HE1 TYR 18 18.229 1.275 -4.020 142 HE2 TYR 18 HE2 TYR 18 15.742 2.741 -7.161 143 HH TYR 18 HH TYR 18 18.604 2.238 -6.835 144 H TYR 19 H TYR 19 12.913 3.599 -0.411 145 HA TYR 19 HA TYR 19 11.200 5.933 -0.603 146 HB2 TYR 19 2HB TYR 19 10.708 3.497 1.101 147 HB3 TYR 19 3HB TYR 19 9.526 4.625 0.446 148 HD1 TYR 19 HD1 TYR 19 9.092 4.625 -2.035 149 HD2 TYR 19 HD2 TYR 19 11.385 1.594 -0.123 150 HE1 TYR 19 HE1 TYR 19 8.765 3.159 -3.982 151 HE2 TYR 19 HE2 TYR 19 11.066 0.120 -2.065 152 HH TYR 19 HH TYR 19 8.862 0.291 -4.161 153 H GLY 20 H GLY 20 13.230 4.314 1.771 154 HA2 GLY 20 2HA GLY 20 14.298 5.390 3.569 155 HA3 GLY 20 3HA GLY 20 13.173 6.730 3.406 156 H ARG 21 H ARG 21 11.891 3.527 3.442 157 HA ARG 21 HA ARG 21 11.521 3.323 6.264 158 HB2 ARG 21 2HB ARG 21 9.094 3.642 6.313 159 HB3 ARG 21 3HB ARG 21 9.915 5.117 5.820 160 HG2 ARG 21 2HG ARG 21 8.916 3.245 3.729 161 HG3 ARG 21 3HG ARG 21 7.776 4.298 4.570 162 HD2 ARG 21 2HD ARG 21 9.671 6.093 3.982 163 HD3 ARG 21 3HD ARG 21 9.930 4.964 2.652 164 HE ARG 21 HE ARG 21 7.972 5.683 1.719 165 HH11 ARG 21 1HH1 ARG 21 8.039 6.628 5.069 166 HH12 ARG 21 2HH1 ARG 21 6.596 7.582 4.964 167 HH21 ARG 21 1HH2 ARG 21 6.072 6.936 1.567 168 HH22 ARG 21 2HH2 ARG 21 5.478 7.755 2.972 169 H THR 22 H THR 22 10.245 1.435 6.862 170 HA THR 22 HA THR 22 10.142 -0.546 4.681 171 HB THR 22 HB THR 22 10.274 -2.131 6.842 172 HG1 THR 22 HG1 THR 22 11.898 -1.129 8.238 173 HG21 THR 22 3HG2 THR 22 12.031 -1.289 4.790 174 HG22 THR 22 1HG2 THR 22 12.087 -2.783 5.725 175 HG23 THR 22 2HG2 THR 22 12.967 -1.360 6.284 176 H GLU 23 H GLU 23 8.433 0.965 7.277 177 HA GLU 23 HA GLU 23 6.365 -0.970 7.555 178 HB2 GLU 23 2HB GLU 23 7.021 0.894 9.192 179 HB3 GLU 23 3HB GLU 23 6.081 1.965 8.162 180 HG2 GLU 23 2HG GLU 23 4.712 1.273 9.986 181 HG3 GLU 23 3HG GLU 23 4.114 0.504 8.517 182 H GLY 24 H GLY 24 5.028 -1.502 5.958 183 HA2 GLY 24 2HA GLY 24 3.162 -1.059 4.585 184 HA3 GLY 24 3HA GLY 24 3.628 0.635 4.536 185 H VAL 25 H VAL 25 6.470 -0.416 3.961 186 HA VAL 25 HA VAL 25 6.085 -0.531 1.061 187 HB VAL 25 HB VAL 25 8.679 -0.165 2.561 188 HG11 VAL 25 1HG1 VAL 25 8.261 -0.787 -0.067 189 HG12 VAL 25 2HG1 VAL 25 8.364 0.974 -0.114 190 HG13 VAL 25 3HG1 VAL 25 9.688 0.030 0.571 191 HG21 VAL 25 3HG2 VAL 25 8.255 2.280 1.696 192 HG22 VAL 25 1HG2 VAL 25 6.564 1.784 1.782 193 HG23 VAL 25 2HG2 VAL 25 7.572 1.733 3.228 194 H VAL 26 H VAL 26 7.651 -2.280 3.704 195 HA VAL 26 HA VAL 26 9.002 -4.224 2.256 196 HB VAL 26 HB VAL 26 8.805 -5.661 4.252 197 HG11 VAL 26 1HG1 VAL 26 10.593 -4.246 4.496 198 HG12 VAL 26 2HG1 VAL 26 9.591 -2.794 4.457 199 HG13 VAL 26 3HG1 VAL 26 9.636 -3.797 5.907 200 HG21 VAL 26 3HG2 VAL 26 6.689 -3.681 4.938 201 HG22 VAL 26 1HG2 VAL 26 6.715 -5.431 5.160 202 HG23 VAL 26 2HG2 VAL 26 7.640 -4.390 6.243 203 H GLU 27 H GLU 27 5.599 -3.941 3.003 204 HA GLU 27 HA GLU 27 4.895 -6.613 2.304 205 HB2 GLU 27 2HB GLU 27 3.423 -4.090 2.876 206 HB3 GLU 27 3HB GLU 27 2.569 -5.347 1.993 207 HG2 GLU 27 2HG GLU 27 3.999 -5.984 4.538 208 HG3 GLU 27 3HG GLU 27 2.391 -5.263 4.563 209 H THR 28 H THR 28 5.440 -3.697 0.523 210 HA THR 28 HA THR 28 4.020 -4.488 -1.836 211 HB THR 28 HB THR 28 6.234 -2.524 -2.064 212 HG1 THR 28 HG1 THR 28 4.669 -0.968 -1.046 213 HG21 THR 28 3HG2 THR 28 4.206 -3.203 -3.677 214 HG22 THR 28 1HG2 THR 28 4.908 -1.586 -3.655 215 HG23 THR 28 2HG2 THR 28 3.421 -1.914 -2.765 216 H VAL 29 H VAL 29 7.513 -3.996 -1.274 217 HA VAL 29 HA VAL 29 8.418 -5.222 -3.591 218 HB VAL 29 HB VAL 29 9.799 -5.155 -0.904 219 HG11 VAL 29 1HG1 VAL 29 11.012 -6.702 -2.143 220 HG12 VAL 29 2HG1 VAL 29 10.739 -5.847 -3.663 221 HG13 VAL 29 3HG1 VAL 29 11.854 -5.187 -2.466 222 HG21 VAL 29 3HG2 VAL 29 9.070 -3.056 -2.634 223 HG22 VAL 29 1HG2 VAL 29 10.124 -2.982 -1.222 224 HG23 VAL 29 2HG2 VAL 29 10.809 -3.283 -2.819 225 H LEU 30 H LEU 30 7.937 -6.656 -0.373 226 HA LEU 30 HA LEU 30 8.845 -9.214 -0.867 227 HB2 LEU 30 2HB LEU 30 8.287 -8.677 1.344 228 HB3 LEU 30 3HB LEU 30 6.662 -8.162 0.899 229 HG LEU 30 HG LEU 30 6.039 -10.499 0.493 230 HD11 LEU 30 1HD1 LEU 30 8.909 -10.875 0.726 231 HD12 LEU 30 2HD1 LEU 30 7.683 -11.920 0.008 232 HD13 LEU 30 3HD1 LEU 30 7.993 -11.988 1.742 233 HD21 LEU 30 3HD2 LEU 30 7.120 -10.862 3.152 234 HD22 LEU 30 1HD2 LEU 30 5.446 -10.671 2.630 235 HD23 LEU 30 2HD2 LEU 30 6.442 -9.247 2.937 236 H ALA 31 H ALA 31 5.557 -7.947 -1.353 237 HA ALA 31 HA ALA 31 4.354 -10.278 -2.275 238 HB1 ALA 31 1HB ALA 31 2.616 -8.902 -2.264 239 HB2 ALA 31 2HB ALA 31 3.692 -7.509 -2.132 240 HB3 ALA 31 3HB ALA 31 3.236 -8.124 -3.721 241 H ALA 32 H ALA 32 6.248 -7.862 -4.016 242 HA ALA 32 HA ALA 32 5.775 -8.969 -6.603 243 HB1 ALA 32 1HB ALA 32 7.242 -6.740 -5.481 244 HB2 ALA 32 2HB ALA 32 8.148 -7.544 -6.764 245 HB3 ALA 32 3HB ALA 32 6.526 -6.929 -7.082 246 H ASN 33 H ASN 33 8.112 -9.526 -4.071 247 HA ASN 33 HA ASN 33 9.321 -11.639 -5.725 248 HB2 ASN 33 2HB ASN 33 10.645 -9.513 -4.096 249 HB3 ASN 33 3HB ASN 33 11.408 -11.097 -4.189 250 HD21 ASN 33 1HD2 ASN 33 10.276 -8.361 -6.062 251 HD22 ASN 33 2HD2 ASN 33 11.288 -8.641 -7.434 252 HA PRO 34 HA PRO 34 7.604 -13.397 -1.788 253 HB2 PRO 34 2HB PRO 34 6.439 -15.540 -2.981 254 HB3 PRO 34 3HB PRO 34 5.635 -13.974 -2.822 255 HG2 PRO 34 2HG PRO 34 7.063 -15.138 -5.181 256 HG3 PRO 34 3HG PRO 34 5.528 -14.252 -5.128 257 HD2 PRO 34 2HD PRO 34 7.859 -13.087 -5.866 258 HD3 PRO 34 3HD PRO 34 6.573 -12.200 -5.024 259 H GLY 35 H GLY 35 8.612 -14.929 -0.584 260 HA2 GLY 35 2HA GLY 35 9.810 -16.907 -0.173 261 HA3 GLY 35 3HA GLY 35 10.145 -17.036 -1.893 262 H LEU 36 H LEU 36 10.915 -14.031 -1.636 263 HA LEU 36 HA LEU 36 13.725 -14.562 -1.246 264 HB2 LEU 36 2HB LEU 36 12.535 -12.994 -2.974 265 HB3 LEU 36 3HB LEU 36 12.614 -11.824 -1.659 266 HG LEU 36 HG LEU 36 14.457 -11.556 -3.251 267 HD11 LEU 36 1HD1 LEU 36 14.626 -11.208 -0.688 268 HD12 LEU 36 2HD1 LEU 36 16.094 -11.183 -1.663 269 HD13 LEU 36 3HD1 LEU 36 15.675 -12.625 -0.739 270 HD21 LEU 36 3HD2 LEU 36 14.519 -14.076 -3.743 271 HD22 LEU 36 1HD2 LEU 36 15.552 -14.187 -2.318 272 HD23 LEU 36 2HD2 LEU 36 16.050 -13.201 -3.693 273 H ALA 37 H ALA 37 11.154 -12.826 0.410 274 HA ALA 37 HA ALA 37 12.778 -11.501 2.307 275 HB1 ALA 37 1HB ALA 37 9.871 -12.284 2.362 276 HB2 ALA 37 2HB ALA 37 10.646 -11.313 3.615 277 HB3 ALA 37 3HB ALA 37 10.560 -10.711 1.959 278 H GLU 38 H GLU 38 11.811 -14.769 1.990 279 HA GLU 38 HA GLU 38 12.206 -15.387 4.804 280 HB2 GLU 38 2HB GLU 38 11.371 -16.989 2.402 281 HB3 GLU 38 3HB GLU 38 11.843 -17.785 3.897 282 HG2 GLU 38 2HG GLU 38 10.097 -16.156 4.963 283 HG3 GLU 38 3HG GLU 38 9.464 -16.093 3.319 284 H LEU 39 H LEU 39 14.298 -14.572 2.593 285 HA LEU 39 HA LEU 39 16.115 -16.751 2.459 286 HB2 LEU 39 2HB LEU 39 15.986 -14.731 0.926 287 HB3 LEU 39 3HB LEU 39 16.824 -13.841 2.195 288 HG LEU 39 HG LEU 39 18.279 -14.645 0.328 289 HD11 LEU 39 1HD1 LEU 39 20.087 -15.117 1.722 290 HD12 LEU 39 2HD1 LEU 39 19.079 -15.940 2.911 291 HD13 LEU 39 3HD1 LEU 39 18.993 -14.187 2.746 292 HD21 LEU 39 3HD2 LEU 39 18.177 -17.376 1.507 293 HD22 LEU 39 1HD2 LEU 39 18.643 -16.860 -0.114 294 HD23 LEU 39 2HD2 LEU 39 16.939 -16.911 0.339 295 H GLY 40 H GLY 40 16.146 -13.741 4.374 296 HA2 GLY 40 2HA GLY 40 16.744 -14.542 6.826 297 HA3 GLY 40 3HA GLY 40 18.289 -14.824 6.036 298 H ALA 41 H ALA 41 19.112 -13.281 7.611 299 HA ALA 41 HA ALA 41 18.292 -10.594 7.720 300 HB1 ALA 41 1HB ALA 41 20.938 -10.479 8.375 301 HB2 ALA 41 2HB ALA 41 19.634 -10.896 9.487 302 HB3 ALA 41 3HB ALA 41 20.556 -12.171 8.691 303 H VAL 42 H VAL 42 21.040 -12.066 5.985 304 HA VAL 42 HA VAL 42 21.230 -9.640 4.341 305 HB VAL 42 HB VAL 42 23.206 -11.917 4.479 306 HG11 VAL 42 1HG1 VAL 42 23.370 -9.118 3.371 307 HG12 VAL 42 2HG1 VAL 42 24.749 -10.205 3.544 308 HG13 VAL 42 3HG1 VAL 42 23.420 -10.628 2.463 309 HG21 VAL 42 3HG2 VAL 42 24.528 -10.528 5.975 310 HG22 VAL 42 1HG2 VAL 42 23.275 -9.286 5.954 311 HG23 VAL 42 2HG2 VAL 42 22.946 -10.859 6.681 312 H LEU 43 H LEU 43 21.335 -9.771 2.071 313 HA LEU 43 HA LEU 43 19.958 -12.117 0.977 314 HB2 LEU 43 2HB LEU 43 19.969 -9.251 0.390 315 HB3 LEU 43 3HB LEU 43 20.043 -10.274 -1.043 316 HG LEU 43 HG LEU 43 17.960 -11.328 -0.463 317 HD11 LEU 43 1HD1 LEU 43 17.380 -11.528 1.668 318 HD12 LEU 43 2HD1 LEU 43 16.965 -9.814 1.672 319 HD13 LEU 43 3HD1 LEU 43 18.580 -10.331 2.157 320 HD21 LEU 43 3HD2 LEU 43 16.574 -9.069 -0.167 321 HD22 LEU 43 1HD2 LEU 43 17.350 -9.519 -1.686 322 HD23 LEU 43 2HD2 LEU 43 18.138 -8.376 -0.598 323 HA PRO 44 HA PRO 44 23.378 -13.502 -1.396 324 HB2 PRO 44 2HB PRO 44 22.219 -14.208 -3.747 325 HB3 PRO 44 3HB PRO 44 22.005 -15.132 -2.255 326 HG2 PRO 44 2HG PRO 44 20.183 -13.118 -3.513 327 HG3 PRO 44 3HG PRO 44 19.784 -14.679 -2.773 328 HD2 PRO 44 2HD PRO 44 19.453 -12.325 -1.476 329 HD3 PRO 44 3HD PRO 44 19.874 -13.829 -0.632 330 H HIS 45 H HIS 45 24.891 -12.101 -2.048 331 HA HIS 45 HA HIS 45 24.460 -9.723 -3.442 332 HB2 HIS 45 2HB HIS 45 26.870 -9.648 -3.764 333 HB3 HIS 45 3HB HIS 45 26.504 -10.223 -2.140 334 HD1 HIS 45 HD1 HIS 45 27.098 -12.672 -1.587 335 HD2 HIS 45 HD2 HIS 45 28.092 -11.520 -5.453 336 HE1 HIS 45 HE1 HIS 45 28.598 -14.490 -2.467 337 H GLY 46 H GLY 46 24.100 -9.260 -5.516 338 HA2 GLY 46 2HA GLY 46 24.600 -9.530 -7.852 339 HA3 GLY 46 3HA GLY 46 24.864 -11.242 -7.555 340 H THR 47 H THR 47 22.254 -10.733 -5.786 341 HA THR 47 HA THR 47 20.473 -11.669 -7.887 342 HB THR 47 HB THR 47 20.053 -11.431 -4.902 343 HG1 THR 47 HG1 THR 47 20.882 -13.481 -6.636 344 HG21 THR 47 3HG2 THR 47 17.872 -11.480 -5.457 345 HG22 THR 47 1HG2 THR 47 18.169 -13.182 -5.809 346 HG23 THR 47 2HG2 THR 47 18.204 -11.993 -7.111 347 H ALA 48 H ALA 48 19.323 -10.260 -9.022 348 HA ALA 48 HA ALA 48 18.955 -7.552 -8.239 349 HB1 ALA 48 1HB ALA 48 17.566 -7.379 -10.260 350 HB2 ALA 48 2HB ALA 48 19.113 -8.163 -10.579 351 HB3 ALA 48 3HB ALA 48 17.645 -9.131 -10.449 352 H VAL 49 H VAL 49 16.951 -6.461 -7.851 353 HA VAL 49 HA VAL 49 14.707 -8.131 -6.988 354 HB VAL 49 HB VAL 49 15.833 -5.953 -5.227 355 HG11 VAL 49 1HG1 VAL 49 14.223 -7.661 -3.746 356 HG12 VAL 49 2HG1 VAL 49 13.805 -6.042 -4.308 357 HG13 VAL 49 3HG1 VAL 49 13.357 -7.452 -5.268 358 HG21 VAL 49 3HG2 VAL 49 16.201 -8.934 -5.150 359 HG22 VAL 49 1HG2 VAL 49 17.431 -7.670 -5.108 360 HG23 VAL 49 2HG2 VAL 49 16.385 -7.930 -3.712 361 H GLU 50 H GLU 50 12.872 -7.358 -7.783 362 HA GLU 50 HA GLU 50 12.766 -4.870 -9.161 363 HB2 GLU 50 2HB GLU 50 11.418 -6.664 -9.981 364 HB3 GLU 50 3HB GLU 50 10.645 -6.882 -8.417 365 HG2 GLU 50 2HG GLU 50 9.354 -4.956 -8.650 366 HG3 GLU 50 3HG GLU 50 10.375 -4.318 -9.938 367 H LEU 51 H LEU 51 11.821 -2.952 -8.608 368 HA LEU 51 HA LEU 51 10.899 -2.705 -5.819 369 HB2 LEU 51 2HB LEU 51 12.459 -0.765 -7.513 370 HB3 LEU 51 3HB LEU 51 11.712 -0.337 -5.975 371 HG LEU 51 HG LEU 51 13.701 -2.573 -6.141 372 HD11 LEU 51 1HD1 LEU 51 15.275 -1.140 -6.792 373 HD12 LEU 51 2HD1 LEU 51 15.096 -0.384 -5.209 374 HD13 LEU 51 3HD1 LEU 51 14.207 0.249 -6.594 375 HD21 LEU 51 3HD2 LEU 51 12.128 -1.797 -4.123 376 HD22 LEU 51 1HD2 LEU 51 13.489 -0.707 -3.857 377 HD23 LEU 51 2HD2 LEU 51 13.749 -2.451 -3.880 378 HA PRO 52 HA PRO 52 7.252 -1.568 -8.308 379 HB2 PRO 52 2HB PRO 52 5.472 -2.233 -6.370 380 HB3 PRO 52 3HB PRO 52 6.173 -3.418 -7.478 381 HG2 PRO 52 2HG PRO 52 6.948 -2.768 -4.660 382 HG3 PRO 52 3HG PRO 52 6.790 -4.353 -5.440 383 HD2 PRO 52 2HD PRO 52 9.186 -3.149 -5.059 384 HD3 PRO 52 3HD PRO 52 8.857 -4.202 -6.450 385 H ASP 53 H ASP 53 5.727 0.122 -8.076 386 HA ASP 53 HA ASP 53 4.990 2.175 -7.429 387 HB2 ASP 53 2HB ASP 53 4.709 0.699 -5.235 388 HB3 ASP 53 3HB ASP 53 5.951 1.793 -4.632 389 H VAL 54 H VAL 54 7.493 2.099 -8.570 390 HA VAL 54 HA VAL 54 8.931 4.195 -7.076 391 HB VAL 54 HB VAL 54 10.078 2.030 -8.840 392 HG11 VAL 54 1HG1 VAL 54 11.389 3.849 -9.419 393 HG12 VAL 54 2HG1 VAL 54 11.269 4.576 -7.815 394 HG13 VAL 54 3HG1 VAL 54 12.281 3.153 -8.066 395 HG21 VAL 54 3HG2 VAL 54 9.602 1.291 -6.584 396 HG22 VAL 54 1HG2 VAL 54 11.345 1.449 -6.803 397 HG23 VAL 54 2HG2 VAL 54 10.452 2.685 -5.918 398 H GLN 55 H GLN 55 9.641 5.977 -8.199 399 HA GLN 55 HA GLN 55 9.628 7.589 -9.803 400 HB2 GLN 55 2HB GLN 55 9.969 5.081 -11.400 401 HB3 GLN 55 3HB GLN 55 9.725 6.608 -12.237 402 HG2 GLN 55 2HG GLN 55 11.658 7.481 -10.802 403 HG3 GLN 55 3HG GLN 55 11.990 5.783 -10.464 404 HE21 GLN 55 1HE2 GLN 55 11.718 8.183 -13.010 405 HE22 GLN 55 2HE2 GLN 55 12.725 7.363 -14.149 406 H THR 56 H THR 56 7.092 6.478 -8.802 407 HA THR 56 HA THR 56 5.158 6.202 -10.791 408 HB THR 56 HB THR 56 4.686 7.510 -8.110 409 HG1 THR 56 HG1 THR 56 4.715 5.532 -7.219 410 HG21 THR 56 3HG2 THR 56 2.959 6.106 -10.121 411 HG22 THR 56 1HG2 THR 56 2.705 7.663 -9.335 412 HG23 THR 56 2HG2 THR 56 2.498 6.170 -8.420 413 H ALA 57 H ALA 57 3.777 7.626 -11.822 414 HA ALA 57 HA ALA 57 4.141 10.490 -11.403 415 HB1 ALA 57 1HB ALA 57 5.576 10.609 -13.119 416 HB2 ALA 57 2HB ALA 57 5.131 9.015 -13.730 417 HB3 ALA 57 3HB ALA 57 4.141 10.419 -14.127 418 HA PRO 58 HA PRO 58 -0.154 10.759 -12.259 419 HB2 PRO 58 2HB PRO 58 -0.342 13.134 -13.562 420 HB3 PRO 58 3HB PRO 58 -0.001 13.012 -11.832 421 HG2 PRO 58 2HG PRO 58 1.891 13.449 -14.110 422 HG3 PRO 58 3HG PRO 58 1.847 14.241 -12.524 423 HD2 PRO 58 2HD PRO 58 3.574 12.238 -13.104 424 HD3 PRO 58 3HD PRO 58 2.910 12.484 -11.476 425 H VAL 59 H VAL 59 0.056 8.902 -13.789 426 HA VAL 59 HA VAL 59 -0.609 9.777 -16.520 427 HB VAL 59 HB VAL 59 0.990 7.298 -15.878 428 HG11 VAL 59 1HG1 VAL 59 -0.089 6.855 -17.874 429 HG12 VAL 59 2HG1 VAL 59 -0.039 8.540 -18.396 430 HG13 VAL 59 3HG1 VAL 59 1.430 7.563 -18.423 431 HG21 VAL 59 3HG2 VAL 59 2.309 9.294 -15.402 432 HG22 VAL 59 1HG2 VAL 59 2.907 8.476 -16.846 433 HG23 VAL 59 2HG2 VAL 59 1.931 9.937 -17.001 434 H ALA 60 H ALA 60 -2.205 8.620 -17.571 435 HA ALA 60 HA ALA 60 -4.107 7.299 -15.914 436 HB1 ALA 60 1HB ALA 60 -5.529 7.369 -17.718 437 HB2 ALA 60 2HB ALA 60 -4.435 8.699 -18.099 438 HB3 ALA 60 3HB ALA 60 -4.232 7.135 -18.889 439 H GLU 61 H GLU 61 -4.255 5.217 -15.403 440 HA GLU 61 HA GLU 61 -3.622 3.100 -17.180 441 HB2 GLU 61 2HB GLU 61 -1.336 3.995 -16.311 442 HB3 GLU 61 3HB GLU 61 -1.774 3.179 -14.817 443 HG2 GLU 61 2HG GLU 61 -0.558 1.553 -15.862 444 HG3 GLU 61 3HG GLU 61 -2.189 1.139 -16.389 445 H THR 62 H THR 62 -4.267 1.075 -16.391 446 HA THR 62 HA THR 62 -5.966 1.233 -14.011 447 HB THR 62 HB THR 62 -7.068 0.451 -16.040 448 HG1 THR 62 HG1 THR 62 -6.751 -1.853 -14.429 449 HG21 THR 62 3HG2 THR 62 -4.925 -1.670 -16.014 450 HG22 THR 62 1HG2 THR 62 -5.275 -0.502 -17.288 451 HG23 THR 62 2HG2 THR 62 -6.413 -1.807 -16.951 452 H VAL 63 H VAL 63 -5.888 -0.320 -12.364 453 HA VAL 63 HA VAL 63 -4.029 -2.471 -12.341 454 HB VAL 63 HB VAL 63 -2.451 -0.570 -12.070 455 HG11 VAL 63 1HG1 VAL 63 -3.185 -0.046 -9.297 456 HG12 VAL 63 2HG1 VAL 63 -2.733 1.076 -10.582 457 HG13 VAL 63 3HG1 VAL 63 -4.396 0.500 -10.456 458 HG21 VAL 63 3HG2 VAL 63 -1.178 -1.571 -10.345 459 HG22 VAL 63 1HG2 VAL 63 -2.620 -2.185 -9.538 460 HG23 VAL 63 2HG2 VAL 63 -2.112 -2.874 -11.080 461 H ASN 64 H ASN 64 -4.311 -3.829 -10.576 462 HA ASN 64 HA ASN 64 -6.797 -3.763 -9.295 463 HB2 ASN 64 2HB ASN 64 -5.117 -5.731 -9.690 464 HB3 ASN 64 3HB ASN 64 -4.483 -5.262 -8.115 465 HD21 ASN 64 1HD2 ASN 64 -5.117 -7.131 -7.103 466 HD22 ASN 64 2HD2 ASN 64 -6.772 -7.512 -6.785 467 H LEU 65 H LEU 65 -7.388 -3.379 -7.138 468 HA LEU 65 HA LEU 65 -5.588 -1.532 -5.721 469 HB2 LEU 65 2HB LEU 65 -7.992 -0.909 -6.572 470 HB3 LEU 65 3HB LEU 65 -8.498 -1.745 -5.106 471 HG LEU 65 HG LEU 65 -6.611 0.607 -5.155 472 HD11 LEU 65 1HD1 LEU 65 -8.714 1.686 -4.061 473 HD12 LEU 65 2HD1 LEU 65 -9.582 0.432 -4.945 474 HD13 LEU 65 3HD1 LEU 65 -8.582 1.593 -5.817 475 HD21 LEU 65 3HD2 LEU 65 -6.162 -0.171 -3.103 476 HD22 LEU 65 1HD2 LEU 65 -7.568 -1.236 -3.094 477 HD23 LEU 65 2HD2 LEU 65 -7.752 0.469 -2.681 478 H TRP 66 H TRP 66 -4.542 -2.497 -4.114 479 HA TRP 66 HA TRP 66 -5.445 -4.894 -2.870 480 HB2 TRP 66 2HB TRP 66 -3.106 -4.628 -2.950 481 HB3 TRP 66 3HB TRP 66 -3.185 -2.982 -2.325 482 HD1 TRP 66 HD1 TRP 66 -4.823 -6.087 -0.704 483 HE1 TRP 66 HE1 TRP 66 -3.838 -6.367 1.657 484 HE3 TRP 66 HE3 TRP 66 -1.318 -2.367 -0.840 485 HZ2 TRP 66 HZ2 TRP 66 -1.841 -5.169 3.252 486 HZ3 TRP 66 HZ3 TRP 66 0.088 -1.999 1.145 487 HH2 TRP 66 HH2 TRP 66 -0.170 -3.372 3.148 488 H GLU 67 H GLU 67 -6.957 -5.066 -1.364 489 HA GLU 67 HA GLU 67 -7.022 -3.503 0.981 490 HB2 GLU 67 2HB GLU 67 -9.217 -2.381 0.609 491 HB3 GLU 67 3HB GLU 67 -7.917 -1.741 -0.387 492 HG2 GLU 67 2HG GLU 67 -9.256 -1.997 -2.129 493 HG3 GLU 67 3HG GLU 67 -9.048 -3.738 -1.941 494 H VAL 68 H VAL 68 -7.688 -4.926 2.432 495 HA VAL 68 HA VAL 68 -9.786 -6.850 1.663 496 HB VAL 68 HB VAL 68 -7.553 -7.879 2.073 497 HG11 VAL 68 1HG1 VAL 68 -7.926 -7.314 4.986 498 HG12 VAL 68 2HG1 VAL 68 -6.470 -7.804 4.118 499 HG13 VAL 68 3HG1 VAL 68 -7.082 -6.158 3.957 500 HG21 VAL 68 3HG2 VAL 68 -9.655 -8.648 4.095 501 HG22 VAL 68 1HG2 VAL 68 -9.661 -9.120 2.396 502 HG23 VAL 68 2HG2 VAL 68 -8.374 -9.682 3.462 503 H GLU 69 H GLU 69 -8.610 -4.623 4.082 504 HA GLU 69 HA GLU 69 -9.529 -3.764 5.980 505 HB2 GLU 69 2HB GLU 69 -11.312 -3.369 4.056 506 HB3 GLU 69 3HB GLU 69 -12.268 -4.473 5.034 507 HG2 GLU 69 2HG GLU 69 -12.866 -2.311 5.724 508 HG3 GLU 69 3HG GLU 69 -11.815 -2.947 6.988 509 H HIS 70 H HIS 70 -8.594 -6.098 6.619 510 HA HIS 70 HA HIS 70 -10.424 -7.078 8.609 511 HB2 HIS 70 2HB HIS 70 -11.110 -8.388 6.624 512 HB3 HIS 70 3HB HIS 70 -9.461 -8.984 6.465 513 HD1 HIS 70 HD1 HIS 70 -12.580 -9.430 8.443 514 HD2 HIS 70 HD2 HIS 70 -8.701 -10.916 8.375 515 HE1 HIS 70 HE1 HIS 70 -12.610 -11.457 9.931 516 H HIS 71 H HIS 71 -9.206 -7.218 10.363 517 HA HIS 71 HA HIS 71 -6.371 -7.945 10.068 518 HB2 HIS 71 2HB HIS 71 -7.160 -5.714 11.158 519 HB3 HIS 71 3HB HIS 71 -7.538 -6.723 12.551 520 HD1 HIS 71 HD1 HIS 71 -5.673 -5.360 13.835 521 HD2 HIS 71 HD2 HIS 71 -4.310 -7.705 10.688 522 HE1 HIS 71 HE1 HIS 71 -3.185 -5.531 14.153 Start of MODEL 20 1 H1 MET 1 H MET 1 1.831 0.510 1.383 2 HA MET 1 HA MET 1 1.915 0.400 -1.558 3 HB2 MET 1 2HB MET 1 3.719 2.164 0.091 4 HB3 MET 1 3HB MET 1 3.489 2.178 -1.653 5 HG2 MET 1 2HG MET 1 1.426 2.967 0.392 6 HG3 MET 1 3HG MET 1 2.409 4.076 -0.562 7 HE1 MET 1 3HE MET 1 -1.364 2.195 -1.071 8 HE2 MET 1 1HE MET 1 -0.583 3.235 0.120 9 HE3 MET 1 2HE MET 1 -1.416 3.948 -1.262 10 H LYS 2 H LYS 2 2.333 -1.917 -0.765 11 HA LYS 2 HA LYS 2 5.216 -2.256 -0.255 12 HB2 LYS 2 2HB LYS 2 4.676 -4.425 0.751 13 HB3 LYS 2 3HB LYS 2 3.846 -3.115 1.580 14 HG2 LYS 2 2HG LYS 2 1.893 -3.718 -0.049 15 HG3 LYS 2 3HG LYS 2 2.738 -5.264 -0.158 16 HD2 LYS 2 2HD LYS 2 2.709 -5.327 2.362 17 HD3 LYS 2 3HD LYS 2 1.624 -3.936 2.307 18 HE2 LYS 2 2HE LYS 2 1.040 -6.475 0.812 19 HE3 LYS 2 3HE LYS 2 0.565 -6.254 2.495 20 HZ1 LYS 2 3HZ LYS 2 -0.878 -5.495 0.316 21 HZ2 LYS 2 1HZ LYS 2 -0.186 -4.042 0.840 22 HZ3 LYS 2 2HZ LYS 2 -1.128 -4.962 1.902 23 H THR 3 H THR 3 6.311 -3.926 -1.373 24 HA THR 3 HA THR 3 4.895 -5.116 -3.649 25 HB THR 3 HB THR 3 5.922 -3.176 -4.624 26 HG1 THR 3 HG1 THR 3 7.644 -4.362 -5.909 27 HG21 THR 3 3HG2 THR 3 7.933 -3.627 -2.672 28 HG22 THR 3 1HG2 THR 3 7.767 -2.262 -3.776 29 HG23 THR 3 2HG2 THR 3 8.701 -3.678 -4.258 30 H PHE 4 H PHE 4 6.059 -6.915 -4.634 31 HA PHE 4 HA PHE 4 7.265 -8.579 -2.634 32 HB2 PHE 4 2HB PHE 4 7.064 -9.174 -5.586 33 HB3 PHE 4 3HB PHE 4 7.183 -10.325 -4.259 34 HD1 PHE 4 HD1 PHE 4 5.200 -9.539 -2.376 35 HD2 PHE 4 HD2 PHE 4 5.035 -9.399 -6.626 36 HE1 PHE 4 HE1 PHE 4 2.745 -9.685 -2.282 37 HE2 PHE 4 HE2 PHE 4 2.580 -9.544 -6.539 38 HZ PHE 4 HZ PHE 4 1.432 -9.687 -4.365 39 H ALA 5 H ALA 5 9.359 -9.297 -2.490 40 HA ALA 5 HA ALA 5 11.357 -7.616 -3.747 41 HB1 ALA 5 1HB ALA 5 12.760 -8.228 -2.069 42 HB2 ALA 5 2HB ALA 5 11.226 -8.581 -1.273 43 HB3 ALA 5 3HB ALA 5 12.154 -9.884 -2.014 44 H LEU 6 H LEU 6 13.200 -8.451 -4.874 45 HA LEU 6 HA LEU 6 13.052 -11.169 -5.892 46 HB2 LEU 6 2HB LEU 6 12.996 -8.772 -7.720 47 HB3 LEU 6 3HB LEU 6 13.179 -10.448 -8.233 48 HG LEU 6 HG LEU 6 10.738 -9.421 -6.796 49 HD11 LEU 6 1HD1 LEU 6 9.800 -9.693 -9.227 50 HD12 LEU 6 2HD1 LEU 6 11.471 -9.365 -9.683 51 HD13 LEU 6 3HD1 LEU 6 10.573 -8.190 -8.723 52 HD21 LEU 6 3HD2 LEU 6 10.209 -11.602 -8.495 53 HD22 LEU 6 1HD2 LEU 6 10.192 -11.570 -6.732 54 HD23 LEU 6 2HD2 LEU 6 11.669 -12.007 -7.591 55 H GLN 7 H GLN 7 14.927 -11.274 -7.727 56 HA GLN 7 HA GLN 7 17.335 -11.148 -6.377 57 HB2 GLN 7 2HB GLN 7 16.698 -12.348 -8.589 58 HB3 GLN 7 3HB GLN 7 17.220 -10.857 -9.363 59 HG2 GLN 7 2HG GLN 7 19.431 -11.109 -8.577 60 HG3 GLN 7 3HG GLN 7 18.964 -12.394 -7.465 61 HE21 GLN 7 1HE2 GLN 7 18.707 -14.463 -8.220 62 HE22 GLN 7 2HE2 GLN 7 19.180 -14.953 -9.808 63 H GLY 8 H GLY 8 18.647 -9.544 -5.809 64 HA2 GLY 8 2HA GLY 8 19.628 -7.472 -5.701 65 HA3 GLY 8 3HA GLY 8 19.354 -7.370 -7.434 66 H ASP 9 H ASP 9 16.607 -7.837 -5.412 67 HA ASP 9 HA ASP 9 15.899 -4.994 -5.744 68 HB2 ASP 9 2HB ASP 9 14.296 -7.489 -6.146 69 HB3 ASP 9 3HB ASP 9 13.477 -6.021 -5.619 70 H THR 10 H THR 10 17.209 -6.423 -3.484 71 HA THR 10 HA THR 10 15.313 -6.678 -1.373 72 HB THR 10 HB THR 10 17.114 -7.087 0.060 73 HG1 THR 10 HG1 THR 10 18.546 -5.387 -1.686 74 HG21 THR 10 3HG2 THR 10 18.203 -8.800 -0.983 75 HG22 THR 10 1HG2 THR 10 18.586 -7.836 -2.409 76 HG23 THR 10 2HG2 THR 10 16.963 -8.492 -2.197 77 H LEU 11 H LEU 11 15.898 -5.347 0.747 78 HA LEU 11 HA LEU 11 14.860 -2.814 0.472 79 HB2 LEU 11 2HB LEU 11 16.808 -3.683 2.601 80 HB3 LEU 11 3HB LEU 11 15.646 -2.363 2.714 81 HG LEU 11 HG LEU 11 14.990 -5.305 2.558 82 HD11 LEU 11 1HD1 LEU 11 14.596 -3.378 4.837 83 HD12 LEU 11 2HD1 LEU 11 15.963 -4.484 4.707 84 HD13 LEU 11 3HD1 LEU 11 14.324 -5.121 4.838 85 HD21 LEU 11 3HD2 LEU 11 13.381 -2.875 2.203 86 HD22 LEU 11 1HD2 LEU 11 12.721 -4.046 3.344 87 HD23 LEU 11 2HD2 LEU 11 13.070 -4.533 1.685 88 H ASP 12 H ASP 12 18.257 -3.795 0.477 89 HA ASP 12 HA ASP 12 19.457 -1.290 0.523 90 HB2 ASP 12 2HB ASP 12 20.303 -3.875 -0.783 91 HB3 ASP 12 3HB ASP 12 21.327 -2.442 -0.771 92 H ALA 13 H ALA 13 17.988 -3.045 -2.139 93 HA ALA 13 HA ALA 13 18.840 -1.070 -4.089 94 HB1 ALA 13 1HB ALA 13 18.711 -2.865 -5.392 95 HB2 ALA 13 2HB ALA 13 17.825 -3.770 -4.165 96 HB3 ALA 13 3HB ALA 13 16.956 -2.728 -5.291 97 H ILE 14 H ILE 14 15.722 -2.307 -2.873 98 HA ILE 14 HA ILE 14 14.025 -0.566 -4.171 99 HB ILE 14 HB ILE 14 13.713 -1.622 -1.358 100 HG12 ILE 14 2HG1 ILE 14 12.572 -2.741 -3.920 101 HG13 ILE 14 3HG1 ILE 14 14.083 -3.308 -3.217 102 HG21 ILE 14 1HG2 ILE 14 11.649 -0.562 -3.283 103 HG22 ILE 14 2HG2 ILE 14 11.316 -1.284 -1.710 104 HG23 ILE 14 3HG2 ILE 14 12.204 0.236 -1.812 105 HD11 ILE 14 3HD1 ILE 14 12.173 -4.740 -2.660 106 HD12 ILE 14 1HD1 ILE 14 12.924 -4.033 -1.230 107 HD13 ILE 14 2HD1 ILE 14 11.407 -3.377 -1.845 108 H CYS 15 H CYS 15 15.657 -0.095 -1.051 109 HA CYS 15 HA CYS 15 14.551 2.380 -0.398 110 HB2 CYS 15 2HB CYS 15 17.184 1.089 0.281 111 HB3 CYS 15 3HB CYS 15 16.765 2.688 0.883 112 HG CYS 15 HG CYS 15 14.181 1.231 1.748 113 H VAL 16 H VAL 16 17.031 1.536 -2.676 114 HA VAL 16 HA VAL 16 17.929 4.277 -3.002 115 HB VAL 16 HB VAL 16 18.660 1.781 -4.539 116 HG11 VAL 16 1HG1 VAL 16 19.709 4.597 -4.675 117 HG12 VAL 16 2HG1 VAL 16 20.606 3.206 -5.287 118 HG13 VAL 16 3HG1 VAL 16 19.038 3.621 -5.980 119 HG21 VAL 16 3HG2 VAL 16 20.353 3.279 -2.557 120 HG22 VAL 16 1HG2 VAL 16 19.308 1.937 -2.090 121 HG23 VAL 16 2HG2 VAL 16 20.622 1.673 -3.236 122 H ARG 17 H ARG 17 15.782 2.005 -4.550 123 HA ARG 17 HA ARG 17 15.459 3.648 -6.915 124 HB2 ARG 17 2HB ARG 17 14.324 1.884 -7.838 125 HB3 ARG 17 3HB ARG 17 15.292 1.021 -6.650 126 HG2 ARG 17 2HG ARG 17 13.372 1.079 -5.097 127 HG3 ARG 17 3HG ARG 17 12.410 1.842 -6.365 128 HD2 ARG 17 2HD ARG 17 13.244 -0.240 -7.758 129 HD3 ARG 17 3HD ARG 17 13.415 -0.950 -6.154 130 HE ARG 17 HE ARG 17 10.861 0.287 -6.589 131 HH11 ARG 17 1HH1 ARG 17 12.735 -2.616 -7.011 132 HH12 ARG 17 2HH1 ARG 17 11.351 -3.657 -7.073 133 HH21 ARG 17 1HH2 ARG 17 9.031 -1.072 -6.669 134 HH22 ARG 17 2HH2 ARG 17 9.245 -2.777 -6.879 135 H TYR 18 H TYR 18 14.202 3.581 -3.797 136 HA TYR 18 HA TYR 18 11.712 4.905 -4.635 137 HB2 TYR 18 2HB TYR 18 12.432 3.161 -2.362 138 HB3 TYR 18 3HB TYR 18 11.384 4.518 -1.969 139 HD1 TYR 18 HD2 TYR 18 11.662 1.366 -3.809 140 HD2 TYR 18 HD1 TYR 18 9.125 4.646 -2.856 141 HE1 TYR 18 HE2 TYR 18 9.725 0.102 -4.644 142 HE2 TYR 18 HE1 TYR 18 7.180 3.390 -3.688 143 HH TYR 18 HH TYR 18 6.466 1.220 -4.188 144 H TYR 19 H TYR 19 14.028 5.097 -1.925 145 HA TYR 19 HA TYR 19 13.505 7.961 -1.719 146 HB2 TYR 19 2HB TYR 19 15.305 6.347 0.079 147 HB3 TYR 19 3HB TYR 19 14.501 7.873 0.428 148 HD1 TYR 19 HD2 TYR 19 12.020 7.899 0.767 149 HD2 TYR 19 HD1 TYR 19 14.226 4.273 0.472 150 HE1 TYR 19 HE2 TYR 19 10.144 6.681 1.790 151 HE2 TYR 19 HE1 TYR 19 12.356 3.045 1.492 152 HH TYR 19 HH TYR 19 10.414 3.293 2.670 153 H GLY 20 H GLY 20 16.098 5.704 -2.465 154 HA2 GLY 20 2HA GLY 20 17.880 6.199 -3.933 155 HA3 GLY 20 3HA GLY 20 17.605 7.912 -3.651 156 H ARG 21 H ARG 21 17.723 5.797 -0.923 157 HA ARG 21 HA ARG 21 20.528 5.997 -0.442 158 HB2 ARG 21 2HB ARG 21 20.428 7.490 1.501 159 HB3 ARG 21 3HB ARG 21 19.934 8.318 0.030 160 HG2 ARG 21 2HG ARG 21 17.864 7.088 1.788 161 HG3 ARG 21 3HG ARG 21 18.588 8.634 2.234 162 HD2 ARG 21 2HD ARG 21 18.034 9.163 -0.319 163 HD3 ARG 21 3HD ARG 21 16.790 7.949 -0.021 164 HE ARG 21 HE ARG 21 15.674 9.468 1.275 165 HH11 ARG 21 1HH1 ARG 21 18.950 10.554 0.818 166 HH12 ARG 21 2HH1 ARG 21 18.680 12.098 1.557 167 HH21 ARG 21 1HH2 ARG 21 15.306 11.496 2.251 168 HH22 ARG 21 2HH2 ARG 21 16.607 12.632 2.373 169 H THR 22 H THR 22 21.162 5.003 1.576 170 HA THR 22 HA THR 22 19.069 3.219 2.636 171 HB THR 22 HB THR 22 21.150 1.813 3.335 172 HG1 THR 22 HG1 THR 22 22.809 3.155 2.749 173 HG21 THR 22 3HG2 THR 22 20.302 0.473 1.773 174 HG22 THR 22 1HG2 THR 22 21.103 1.413 0.514 175 HG23 THR 22 2HG2 THR 22 19.478 1.851 1.043 176 H GLU 23 H GLU 23 21.516 5.538 3.410 177 HA GLU 23 HA GLU 23 21.766 4.925 6.176 178 HB2 GLU 23 2HB GLU 23 23.363 6.298 4.722 179 HB3 GLU 23 3HB GLU 23 22.240 7.632 4.941 180 HG2 GLU 23 2HG GLU 23 22.594 7.644 7.296 181 HG3 GLU 23 3HG GLU 23 23.526 6.149 7.218 182 H GLY 24 H GLY 24 20.160 5.070 7.593 183 HA2 GLY 24 2HA GLY 24 18.672 6.303 8.941 184 HA3 GLY 24 3HA GLY 24 18.567 7.517 7.675 185 H VAL 25 H VAL 25 18.162 5.184 5.729 186 HA VAL 25 HA VAL 25 15.262 5.104 6.052 187 HB VAL 25 HB VAL 25 16.904 4.125 3.714 188 HG11 VAL 25 1HG1 VAL 25 14.314 3.575 4.287 189 HG12 VAL 25 2HG1 VAL 25 14.141 5.053 3.339 190 HG13 VAL 25 3HG1 VAL 25 14.975 3.657 2.655 191 HG21 VAL 25 3HG2 VAL 25 17.400 6.395 3.759 192 HG22 VAL 25 1HG2 VAL 25 15.995 6.320 2.695 193 HG23 VAL 25 2HG2 VAL 25 15.806 6.833 4.372 194 H VAL 26 H VAL 26 17.997 2.888 5.615 195 HA VAL 26 HA VAL 26 16.613 0.480 5.556 196 HB VAL 26 HB VAL 26 18.688 -0.565 6.424 197 HG11 VAL 26 1HG1 VAL 26 18.946 1.502 4.251 198 HG12 VAL 26 2HG1 VAL 26 20.183 0.290 4.589 199 HG13 VAL 26 3HG1 VAL 26 18.571 -0.212 4.078 200 HG21 VAL 26 3HG2 VAL 26 20.479 1.590 6.402 201 HG22 VAL 26 1HG2 VAL 26 19.127 2.095 7.416 202 HG23 VAL 26 2HG2 VAL 26 19.999 0.607 7.785 203 H GLU 27 H GLU 27 17.288 2.602 8.219 204 HA GLU 27 HA GLU 27 16.811 0.689 10.289 205 HB2 GLU 27 2HB GLU 27 17.077 3.672 10.181 206 HB3 GLU 27 3HB GLU 27 16.468 2.904 11.640 207 HG2 GLU 27 2HG GLU 27 19.006 1.928 10.425 208 HG3 GLU 27 3HG GLU 27 19.007 3.415 11.372 209 H THR 28 H THR 28 14.836 2.854 8.403 210 HA THR 28 HA THR 28 12.533 2.728 10.092 211 HB THR 28 HB THR 28 12.234 3.306 7.184 212 HG1 THR 28 HG1 THR 28 13.484 5.039 7.237 213 HG21 THR 28 3HG2 THR 28 10.402 4.383 7.880 214 HG22 THR 28 1HG2 THR 28 11.302 5.269 9.111 215 HG23 THR 28 2HG2 THR 28 10.687 3.653 9.460 216 H VAL 29 H VAL 29 13.089 1.410 6.819 217 HA VAL 29 HA VAL 29 10.852 -0.222 6.701 218 HB VAL 29 HB VAL 29 13.533 -0.847 5.458 219 HG11 VAL 29 1HG1 VAL 29 10.757 -1.843 5.059 220 HG12 VAL 29 2HG1 VAL 29 11.818 -1.711 3.655 221 HG13 VAL 29 3HG1 VAL 29 12.287 -2.718 5.025 222 HG21 VAL 29 3HG2 VAL 29 11.818 0.368 3.589 223 HG22 VAL 29 1HG2 VAL 29 11.776 1.375 5.037 224 HG23 VAL 29 2HG2 VAL 29 13.317 1.012 4.260 225 H LEU 30 H LEU 30 13.955 -0.783 8.227 226 HA LEU 30 HA LEU 30 13.696 -3.563 8.632 227 HB2 LEU 30 2HB LEU 30 15.827 -2.426 8.832 228 HB3 LEU 30 3HB LEU 30 15.226 -1.493 10.200 229 HG LEU 30 HG LEU 30 15.056 -3.584 11.507 230 HD11 LEU 30 1HD1 LEU 30 16.180 -4.767 8.987 231 HD12 LEU 30 2HD1 LEU 30 14.754 -5.264 9.898 232 HD13 LEU 30 3HD1 LEU 30 16.365 -5.547 10.559 233 HD21 LEU 30 3HD2 LEU 30 17.478 -2.299 10.578 234 HD22 LEU 30 1HD2 LEU 30 17.766 -3.969 11.065 235 HD23 LEU 30 2HD2 LEU 30 17.034 -2.834 12.199 236 H ALA 31 H ALA 31 12.633 -0.769 10.485 237 HA ALA 31 HA ALA 31 11.818 -2.245 12.785 238 HB1 ALA 31 1HB ALA 31 12.250 0.002 13.207 239 HB2 ALA 31 2HB ALA 31 11.316 0.544 11.812 240 HB3 ALA 31 3HB ALA 31 10.489 -0.090 13.234 241 H ALA 32 H ALA 32 10.320 -1.382 9.758 242 HA ALA 32 HA ALA 32 7.655 -2.083 10.631 243 HB1 ALA 32 1HB ALA 32 7.255 -0.630 8.985 244 HB2 ALA 32 2HB ALA 32 8.861 -0.846 8.287 245 HB3 ALA 32 3HB ALA 32 7.566 -1.975 7.886 246 H ASN 33 H ASN 33 10.348 -3.635 9.080 247 HA ASN 33 HA ASN 33 8.787 -6.122 8.958 248 HB2 ASN 33 2HB ASN 33 10.344 -4.808 6.788 249 HB3 ASN 33 3HB ASN 33 10.443 -6.563 6.906 250 HD21 ASN 33 1HD2 ASN 33 8.029 -3.966 6.969 251 HD22 ASN 33 2HD2 ASN 33 6.849 -4.809 6.030 252 HA PRO 34 HA PRO 34 12.722 -6.628 11.379 253 HB2 PRO 34 2HB PRO 34 11.554 -7.936 13.452 254 HB3 PRO 34 3HB PRO 34 11.652 -6.174 13.361 255 HG2 PRO 34 2HG PRO 34 9.361 -7.980 12.690 256 HG3 PRO 34 3HG PRO 34 9.352 -6.441 13.572 257 HD2 PRO 34 2HD PRO 34 8.644 -6.631 10.965 258 HD3 PRO 34 3HD PRO 34 9.430 -5.189 11.638 259 H GLY 35 H GLY 35 13.993 -8.396 11.218 260 HA2 GLY 35 2HA GLY 35 14.243 -10.815 11.427 261 HA3 GLY 35 3HA GLY 35 12.684 -10.977 10.633 262 H LEU 36 H LEU 36 13.461 -8.791 8.720 263 HA LEU 36 HA LEU 36 14.388 -10.427 6.634 264 HB2 LEU 36 2HB LEU 36 13.119 -8.138 6.631 265 HB3 LEU 36 3HB LEU 36 14.746 -7.464 6.562 266 HG LEU 36 HG LEU 36 13.718 -7.610 4.347 267 HD11 LEU 36 1HD1 LEU 36 16.236 -8.084 4.908 268 HD12 LEU 36 2HD1 LEU 36 15.618 -8.298 3.270 269 HD13 LEU 36 3HD1 LEU 36 15.840 -9.699 4.318 270 HD21 LEU 36 3HD2 LEU 36 12.878 -9.520 3.413 271 HD22 LEU 36 1HD2 LEU 36 12.481 -9.810 5.107 272 HD23 LEU 36 2HD2 LEU 36 13.896 -10.580 4.389 273 H ALA 37 H ALA 37 16.055 -8.146 8.750 274 HA ALA 37 HA ALA 37 18.535 -8.104 7.458 275 HB1 ALA 37 1HB ALA 37 18.444 -6.489 9.057 276 HB2 ALA 37 2HB ALA 37 17.583 -7.515 10.205 277 HB3 ALA 37 3HB ALA 37 19.318 -7.724 9.965 278 H GLU 38 H GLU 38 17.059 -10.503 9.494 279 HA GLU 38 HA GLU 38 19.466 -11.914 10.120 280 HB2 GLU 38 2HB GLU 38 16.635 -12.966 10.163 281 HB3 GLU 38 3HB GLU 38 18.022 -13.629 11.016 282 HG2 GLU 38 2HG GLU 38 16.592 -11.044 11.551 283 HG3 GLU 38 3HG GLU 38 16.717 -12.455 12.600 284 H LEU 39 H LEU 39 17.296 -11.847 7.440 285 HA LEU 39 HA LEU 39 17.571 -14.363 6.337 286 HB2 LEU 39 2HB LEU 39 16.292 -12.191 5.563 287 HB3 LEU 39 3HB LEU 39 17.716 -11.990 4.543 288 HG LEU 39 HG LEU 39 16.071 -13.048 3.215 289 HD11 LEU 39 1HD1 LEU 39 17.972 -15.161 4.220 290 HD12 LEU 39 2HD1 LEU 39 18.315 -13.966 2.970 291 HD13 LEU 39 3HD1 LEU 39 17.089 -15.204 2.694 292 HD21 LEU 39 3HD2 LEU 39 15.303 -14.260 5.696 293 HD22 LEU 39 1HD2 LEU 39 15.529 -15.504 4.466 294 HD23 LEU 39 2HD2 LEU 39 14.413 -14.169 4.175 295 H GLY 40 H GLY 40 19.644 -11.522 5.736 296 HA2 GLY 40 2HA GLY 40 22.111 -12.339 5.910 297 HA3 GLY 40 3HA GLY 40 21.637 -13.301 4.518 298 H ALA 41 H ALA 41 22.615 -12.438 2.805 299 HA ALA 41 HA ALA 41 22.973 -9.567 2.586 300 HB1 ALA 41 1HB ALA 41 23.991 -11.948 1.122 301 HB2 ALA 41 2HB ALA 41 23.986 -10.389 0.297 302 HB3 ALA 41 3HB ALA 41 24.869 -10.583 1.811 303 H VAL 42 H VAL 42 21.194 -12.145 0.939 304 HA VAL 42 HA VAL 42 19.571 -10.068 -0.379 305 HB VAL 42 HB VAL 42 21.100 -11.279 -1.969 306 HG11 VAL 42 1HG1 VAL 42 19.277 -13.616 -1.415 307 HG12 VAL 42 2HG1 VAL 42 20.598 -13.557 -2.584 308 HG13 VAL 42 3HG1 VAL 42 20.944 -13.484 -0.855 309 HG21 VAL 42 3HG2 VAL 42 18.557 -12.097 -3.047 310 HG22 VAL 42 1HG2 VAL 42 18.419 -10.540 -2.231 311 HG23 VAL 42 2HG2 VAL 42 19.598 -10.756 -3.524 312 H LEU 43 H LEU 43 17.366 -10.497 -0.608 313 HA LEU 43 HA LEU 43 16.351 -12.529 1.239 314 HB2 LEU 43 2HB LEU 43 14.157 -11.219 0.753 315 HB3 LEU 43 3HB LEU 43 15.374 -10.543 1.833 316 HG LEU 43 HG LEU 43 16.169 -9.098 0.015 317 HD11 LEU 43 1HD1 LEU 43 13.999 -10.484 -1.531 318 HD12 LEU 43 2HD1 LEU 43 15.704 -10.311 -1.943 319 HD13 LEU 43 3HD1 LEU 43 14.637 -8.908 -2.000 320 HD21 LEU 43 3HD2 LEU 43 14.528 -7.511 0.278 321 HD22 LEU 43 1HD2 LEU 43 14.157 -8.603 1.613 322 HD23 LEU 43 2HD2 LEU 43 13.217 -8.681 0.122 323 HA PRO 44 HA PRO 44 14.659 -15.113 -1.878 324 HB2 PRO 44 2HB PRO 44 12.305 -15.881 -0.764 325 HB3 PRO 44 3HB PRO 44 13.874 -16.461 -0.191 326 HG2 PRO 44 2HG PRO 44 12.138 -14.288 0.916 327 HG3 PRO 44 3HG PRO 44 13.033 -15.553 1.778 328 HD2 PRO 44 2HD PRO 44 13.943 -13.011 1.567 329 HD3 PRO 44 3HD PRO 44 15.031 -14.412 1.635 330 H HIS 45 H HIS 45 13.350 -15.064 -3.660 331 HA HIS 45 HA HIS 45 12.035 -12.629 -4.288 332 HB2 HIS 45 2HB HIS 45 11.528 -13.636 -6.411 333 HB3 HIS 45 3HB HIS 45 13.154 -14.132 -5.952 334 HD1 HIS 45 HD1 HIS 45 9.990 -15.461 -7.081 335 HD2 HIS 45 HD2 HIS 45 13.178 -16.863 -4.815 336 HE1 HIS 45 HE1 HIS 45 9.764 -17.966 -7.080 337 H GLY 46 H GLY 46 9.952 -12.039 -4.125 338 HA2 GLY 46 2HA GLY 46 7.592 -12.678 -4.272 339 HA3 GLY 46 3HA GLY 46 8.001 -14.118 -3.351 340 H THR 47 H THR 47 9.619 -12.929 -1.381 341 HA THR 47 HA THR 47 7.768 -12.238 0.555 342 HB THR 47 HB THR 47 10.695 -11.487 0.446 343 HG1 THR 47 HG1 THR 47 9.546 -13.582 1.960 344 HG21 THR 47 3HG2 THR 47 9.702 -10.097 2.091 345 HG22 THR 47 1HG2 THR 47 10.431 -11.443 2.966 346 HG23 THR 47 2HG2 THR 47 8.689 -11.409 2.692 347 H ALA 48 H ALA 48 6.497 -10.523 0.731 348 HA ALA 48 HA ALA 48 7.089 -8.082 -0.709 349 HB1 ALA 48 1HB ALA 48 4.785 -9.227 -0.423 350 HB2 ALA 48 2HB ALA 48 4.760 -8.410 1.140 351 HB3 ALA 48 3HB ALA 48 4.886 -7.468 -0.345 352 H VAL 49 H VAL 49 7.393 -6.048 0.204 353 HA VAL 49 HA VAL 49 7.889 -5.970 3.103 354 HB VAL 49 HB VAL 49 9.669 -4.656 1.047 355 HG11 VAL 49 1HG1 VAL 49 9.287 -4.200 3.816 356 HG12 VAL 49 2HG1 VAL 49 10.866 -4.961 3.611 357 HG13 VAL 49 3HG1 VAL 49 10.482 -3.475 2.741 358 HG21 VAL 49 3HG2 VAL 49 11.311 -6.403 2.156 359 HG22 VAL 49 1HG2 VAL 49 9.812 -7.298 2.406 360 HG23 VAL 49 2HG2 VAL 49 10.303 -6.838 0.776 361 H GLU 50 H GLU 50 7.107 -4.219 4.129 362 HA GLU 50 HA GLU 50 5.468 -2.380 2.644 363 HB2 GLU 50 2HB GLU 50 4.679 -3.176 4.788 364 HB3 GLU 50 3HB GLU 50 6.125 -2.573 5.587 365 HG2 GLU 50 2HG GLU 50 4.169 -1.145 5.963 366 HG3 GLU 50 3HG GLU 50 5.478 -0.297 5.141 367 H LEU 51 H LEU 51 5.870 -0.297 2.141 368 HA LEU 51 HA LEU 51 8.530 0.749 2.837 369 HB2 LEU 51 2HB LEU 51 6.755 1.632 0.571 370 HB3 LEU 51 3HB LEU 51 8.444 2.060 0.838 371 HG LEU 51 HG LEU 51 7.699 -0.801 0.401 372 HD11 LEU 51 1HD1 LEU 51 8.475 0.174 -2.077 373 HD12 LEU 51 2HD1 LEU 51 7.289 1.342 -1.496 374 HD13 LEU 51 3HD1 LEU 51 6.862 -0.365 -1.611 375 HD21 LEU 51 3HD2 LEU 51 10.016 0.147 1.065 376 HD22 LEU 51 1HD2 LEU 51 10.106 0.652 -0.622 377 HD23 LEU 51 2HD2 LEU 51 9.915 -1.055 -0.222 378 HA PRO 52 HA PRO 52 5.816 3.466 5.295 379 HB2 PRO 52 2HB PRO 52 7.743 4.091 7.103 380 HB3 PRO 52 3HB PRO 52 6.776 2.614 7.201 381 HG2 PRO 52 2HG PRO 52 9.547 2.998 6.134 382 HG3 PRO 52 3HG PRO 52 8.914 1.698 7.161 383 HD2 PRO 52 2HD PRO 52 9.267 1.405 4.492 384 HD3 PRO 52 3HD PRO 52 7.969 0.580 5.380 385 H ASP 53 H ASP 53 5.762 5.713 5.505 386 HA ASP 53 HA ASP 53 6.173 7.879 4.947 387 HB2 ASP 53 2HB ASP 53 9.077 7.140 4.617 388 HB3 ASP 53 3HB ASP 53 8.396 8.696 5.083 389 H VAL 54 H VAL 54 5.428 6.061 2.901 390 HA VAL 54 HA VAL 54 6.763 7.289 0.576 391 HB VAL 54 HB VAL 54 5.559 4.522 0.742 392 HG11 VAL 54 1HG1 VAL 54 6.765 6.056 -1.549 393 HG12 VAL 54 2HG1 VAL 54 6.574 4.302 -1.558 394 HG13 VAL 54 3HG1 VAL 54 5.155 5.344 -1.443 395 HG21 VAL 54 3HG2 VAL 54 7.976 3.894 0.180 396 HG22 VAL 54 1HG2 VAL 54 8.387 5.530 0.695 397 HG23 VAL 54 2HG2 VAL 54 7.632 4.411 1.831 398 H GLN 55 H GLN 55 5.486 8.035 -1.085 399 HA GLN 55 HA GLN 55 2.579 7.973 -0.608 400 HB2 GLN 55 2HB GLN 55 4.093 10.218 -1.940 401 HB3 GLN 55 3HB GLN 55 2.403 10.210 -1.456 402 HG2 GLN 55 2HG GLN 55 2.992 10.236 0.856 403 HG3 GLN 55 3HG GLN 55 4.697 10.003 0.475 404 HE21 GLN 55 1HE2 GLN 55 2.560 12.217 1.469 405 HE22 GLN 55 2HE2 GLN 55 3.301 13.659 0.872 406 H THR 56 H THR 56 1.616 9.019 -2.883 407 HA THR 56 HA THR 56 1.592 6.911 -4.677 408 HB THR 56 HB THR 56 1.080 9.786 -5.447 409 HG1 THR 56 HG1 THR 56 -0.548 7.918 -4.049 410 HG21 THR 56 3HG2 THR 56 1.067 8.281 -7.332 411 HG22 THR 56 1HG2 THR 56 -0.594 8.735 -6.957 412 HG23 THR 56 2HG2 THR 56 0.017 7.153 -6.474 413 H ALA 57 H ALA 57 2.764 6.325 -6.424 414 HA ALA 57 HA ALA 57 4.802 8.156 -7.456 415 HB1 ALA 57 1HB ALA 57 5.904 6.774 -5.747 416 HB2 ALA 57 2HB ALA 57 5.416 5.323 -6.624 417 HB3 ALA 57 3HB ALA 57 6.537 6.466 -7.364 418 HA PRO 58 HA PRO 58 2.536 6.160 -10.904 419 HB2 PRO 58 2HB PRO 58 2.710 8.321 -12.539 420 HB3 PRO 58 3HB PRO 58 1.452 8.145 -11.310 421 HG2 PRO 58 2HG PRO 58 4.001 9.711 -11.201 422 HG3 PRO 58 3HG PRO 58 2.379 10.174 -10.654 423 HD2 PRO 58 2HD PRO 58 4.297 9.305 -8.952 424 HD3 PRO 58 3HD PRO 58 2.570 8.995 -8.683 425 H VAL 59 H VAL 59 4.039 4.681 -11.578 426 HA VAL 59 HA VAL 59 6.293 5.718 -13.173 427 HB VAL 59 HB VAL 59 7.515 3.660 -12.645 428 HG11 VAL 59 1HG1 VAL 59 7.695 5.713 -11.222 429 HG12 VAL 59 2HG1 VAL 59 6.555 4.963 -10.103 430 HG13 VAL 59 3HG1 VAL 59 8.122 4.210 -10.405 431 HG21 VAL 59 3HG2 VAL 59 6.705 2.096 -10.979 432 HG22 VAL 59 1HG2 VAL 59 5.224 3.034 -10.786 433 HG23 VAL 59 2HG2 VAL 59 5.552 2.208 -12.309 434 H ALA 60 H ALA 60 7.119 3.698 -14.600 435 HA ALA 60 HA ALA 60 4.790 2.958 -16.224 436 HB1 ALA 60 1HB ALA 60 6.123 3.012 -18.089 437 HB2 ALA 60 2HB ALA 60 6.911 4.235 -17.091 438 HB3 ALA 60 3HB ALA 60 7.586 2.609 -17.191 439 H GLU 61 H GLU 61 4.932 1.417 -14.032 440 HA GLU 61 HA GLU 61 6.111 -1.108 -14.992 441 HB2 GLU 61 2HB GLU 61 5.815 0.008 -12.220 442 HB3 GLU 61 3HB GLU 61 5.939 -1.727 -12.475 443 HG2 GLU 61 2HG GLU 61 8.126 -1.204 -12.118 444 HG3 GLU 61 3HG GLU 61 8.050 -1.060 -13.873 445 H THR 62 H THR 62 3.682 -0.447 -15.987 446 HA THR 62 HA THR 62 1.841 -2.195 -14.489 447 HB THR 62 HB THR 62 0.010 -0.855 -15.725 448 HG1 THR 62 HG1 THR 62 0.817 0.654 -16.968 449 HG21 THR 62 3HG2 THR 62 1.637 0.160 -13.413 450 HG22 THR 62 1HG2 THR 62 0.075 -0.658 -13.390 451 HG23 THR 62 2HG2 THR 62 0.190 1.007 -13.961 452 H VAL 63 H VAL 63 0.156 -3.211 -15.893 453 HA VAL 63 HA VAL 63 -0.324 -4.699 -17.554 454 HB VAL 63 HB VAL 63 0.922 -2.601 -19.335 455 HG11 VAL 63 1HG1 VAL 63 -1.199 -3.749 -20.661 456 HG12 VAL 63 2HG1 VAL 63 0.507 -4.115 -20.924 457 HG13 VAL 63 3HG1 VAL 63 -0.454 -5.117 -19.835 458 HG21 VAL 63 3HG2 VAL 63 -1.454 -1.817 -19.579 459 HG22 VAL 63 1HG2 VAL 63 -1.860 -2.848 -18.207 460 HG23 VAL 63 2HG2 VAL 63 -0.725 -1.514 -18.002 461 H ASN 64 H ASN 64 1.281 -6.187 -16.716 462 HA ASN 64 HA ASN 64 3.378 -6.701 -18.694 463 HB2 ASN 64 2HB ASN 64 3.844 -6.768 -15.704 464 HB3 ASN 64 3HB ASN 64 5.018 -7.199 -16.944 465 HD21 ASN 64 1HD2 ASN 64 5.341 -5.410 -18.619 466 HD22 ASN 64 2HD2 ASN 64 5.528 -3.814 -17.984 467 H LEU 65 H LEU 65 1.304 -8.123 -19.046 468 HA LEU 65 HA LEU 65 2.007 -10.766 -18.094 469 HB2 LEU 65 2HB LEU 65 -0.175 -11.317 -17.247 470 HB3 LEU 65 3HB LEU 65 0.463 -9.924 -16.376 471 HG LEU 65 HG LEU 65 -0.988 -8.622 -18.190 472 HD11 LEU 65 1HD1 LEU 65 -1.633 -11.133 -18.926 473 HD12 LEU 65 2HD1 LEU 65 -2.697 -9.742 -19.133 474 HD13 LEU 65 3HD1 LEU 65 -2.905 -10.811 -17.746 475 HD21 LEU 65 3HD2 LEU 65 -1.167 -9.174 -15.492 476 HD22 LEU 65 1HD2 LEU 65 -2.749 -9.641 -16.116 477 HD23 LEU 65 2HD2 LEU 65 -2.143 -8.007 -16.385 478 H TRP 66 H TRP 66 1.434 -12.371 -19.504 479 HA TRP 66 HA TRP 66 0.027 -11.502 -21.943 480 HB2 TRP 66 2HB TRP 66 2.154 -13.634 -21.645 481 HB3 TRP 66 3HB TRP 66 1.334 -13.213 -23.146 482 HD1 TRP 66 HD1 TRP 66 1.629 -10.345 -23.663 483 HE1 TRP 66 HE1 TRP 66 3.866 -9.071 -23.674 484 HE3 TRP 66 HE3 TRP 66 4.424 -13.584 -20.863 485 HZ2 TRP 66 HZ2 TRP 66 6.470 -9.396 -22.634 486 HZ3 TRP 66 HZ3 TRP 66 6.779 -13.029 -20.418 487 HH2 TRP 66 HH2 TRP 66 7.779 -10.978 -21.287 488 H GLU 67 H GLU 67 0.270 -13.917 -19.447 489 HA GLU 67 HA GLU 67 -2.305 -14.997 -20.259 490 HB2 GLU 67 2HB GLU 67 -0.868 -16.495 -21.438 491 HB3 GLU 67 3HB GLU 67 0.203 -16.660 -20.053 492 HG2 GLU 67 2HG GLU 67 -1.128 -18.646 -20.296 493 HG3 GLU 67 3HG GLU 67 -1.592 -17.798 -18.822 494 H VAL 68 H VAL 68 -3.220 -14.227 -18.391 495 HA VAL 68 HA VAL 68 -2.096 -15.173 -15.844 496 HB VAL 68 HB VAL 68 -2.460 -12.717 -16.095 497 HG11 VAL 68 1HG1 VAL 68 -5.397 -13.361 -15.974 498 HG12 VAL 68 2HG1 VAL 68 -4.637 -11.784 -16.197 499 HG13 VAL 68 3HG1 VAL 68 -4.551 -12.995 -17.476 500 HG21 VAL 68 3HG2 VAL 68 -4.016 -14.198 -13.983 501 HG22 VAL 68 1HG2 VAL 68 -2.360 -13.600 -13.886 502 HG23 VAL 68 2HG2 VAL 68 -3.707 -12.463 -13.929 503 H GLU 69 H GLU 69 -4.869 -15.333 -17.934 504 HA GLU 69 HA GLU 69 -6.533 -16.625 -15.943 505 HB2 GLU 69 2HB GLU 69 -6.930 -15.940 -18.851 506 HB3 GLU 69 3HB GLU 69 -8.097 -16.894 -17.945 507 HG2 GLU 69 2HG GLU 69 -7.202 -14.208 -16.974 508 HG3 GLU 69 3HG GLU 69 -8.488 -14.375 -18.169 509 H HIS 70 H HIS 70 -4.566 -18.221 -15.838 510 HA HIS 70 HA HIS 70 -4.361 -20.201 -17.870 511 HB2 HIS 70 2HB HIS 70 -3.005 -21.437 -16.268 512 HB3 HIS 70 3HB HIS 70 -2.547 -19.736 -16.257 513 HD1 HIS 70 HD1 HIS 70 -4.700 -22.128 -14.237 514 HD2 HIS 70 HD2 HIS 70 -2.524 -18.619 -13.785 515 HE1 HIS 70 HE1 HIS 70 -4.767 -21.609 -11.778 516 H HIS 71 H HIS 71 -4.644 -22.612 -17.121 517 HA HIS 71 HA HIS 71 -6.983 -23.090 -15.498 518 HB2 HIS 71 2HB HIS 71 -8.140 -24.311 -17.414 519 HB3 HIS 71 3HB HIS 71 -8.182 -22.552 -17.466 520 HD1 HIS 71 HD1 HIS 71 -6.260 -25.435 -19.010 521 HD2 HIS 71 HD2 HIS 71 -7.234 -21.469 -19.777 522 HE1 HIS 71 HE1 HIS 71 -5.426 -24.976 -21.337
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