NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599111 | 2rvc | 11595 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 11.504 -11.403 6.937 2 HB2 MET 1 2HB MET 1 13.882 -11.863 6.339 3 HB3 MET 1 1HB MET 1 13.532 -12.207 8.019 4 HG2 MET 1 2HG MET 1 13.437 -14.607 7.487 5 HG3 MET 1 1HG MET 1 13.829 -14.236 5.808 6 HE1 MET 1 2HE MET 1 17.161 -15.845 7.097 7 HE2 MET 1 3HE MET 1 15.912 -15.889 5.851 8 HE3 MET 1 1HE MET 1 15.517 -16.323 7.514 9 H SER 2 H SER 2 10.152 -11.194 5.314 10 HA SER 2 HA SER 2 11.027 -12.285 2.781 11 HB2 SER 2 2HB SER 2 8.170 -12.568 3.770 12 HB3 SER 2 1HB SER 2 8.752 -13.012 2.165 13 HG SER 2 HG SER 2 10.344 -14.243 3.729 14 H ALA 3 H ALA 3 8.348 -10.435 4.291 15 HA ALA 3 HA ALA 3 9.064 -7.956 3.187 16 HB1 ALA 3 1HB ALA 3 8.356 -9.049 1.044 17 HB2 ALA 3 2HB ALA 3 7.342 -7.670 1.469 18 HB3 ALA 3 3HB ALA 3 6.758 -9.311 1.743 19 H GLU 4 H GLU 4 8.372 -9.007 5.573 20 HA GLU 4 HA GLU 4 5.835 -8.476 6.505 21 HB2 GLU 4 2HB GLU 4 8.546 -8.331 7.557 22 HB3 GLU 4 1HB GLU 4 7.196 -8.045 8.683 23 HG2 GLU 4 2HG GLU 4 7.655 -10.300 9.067 24 HG3 GLU 4 1HG GLU 4 6.521 -10.467 7.737 25 H THR 5 H THR 5 8.687 -6.421 7.139 26 HA THR 5 HA THR 5 7.341 -4.149 8.008 27 HB THR 5 HB THR 5 10.101 -4.214 6.806 28 HG1 THR 5 HG1 THR 5 9.353 -5.146 9.394 29 HG21 THR 5 3HG2 THR 5 8.946 -2.887 9.279 30 HG22 THR 5 1HG2 THR 5 9.286 -2.081 7.746 31 HG23 THR 5 2HG2 THR 5 10.609 -2.739 8.710 32 H GLN 6 H GLN 6 7.799 -5.327 4.904 33 HA GLN 6 HA GLN 6 8.117 -2.974 3.356 34 HB2 GLN 6 2HB GLN 6 8.571 -5.278 2.519 35 HB3 GLN 6 1HB GLN 6 6.847 -5.604 2.576 36 HG2 GLN 6 2HG GLN 6 6.572 -3.658 0.980 37 HG3 GLN 6 1HG GLN 6 8.320 -3.718 0.768 38 HE21 GLN 6 2HE2 GLN 6 8.262 -6.582 -1.227 39 HE22 GLN 6 1HE2 GLN 6 9.227 -5.505 -0.294 40 H MET 7 H MET 7 5.409 -4.556 4.906 41 HA MET 7 HA MET 7 3.355 -3.456 3.276 42 HB2 MET 7 2HB MET 7 3.143 -4.389 6.146 43 HB3 MET 7 1HB MET 7 1.807 -4.163 5.029 44 HG2 MET 7 2HG MET 7 3.983 -6.234 4.837 45 HG3 MET 7 1HG MET 7 2.304 -6.511 5.290 46 HE1 MET 7 3HE MET 7 2.134 -8.465 3.543 47 HE2 MET 7 1HE MET 7 3.823 -8.207 3.100 48 HE3 MET 7 2HE MET 7 2.592 -8.320 1.844 49 H GLU 8 H GLU 8 4.634 -2.606 6.427 50 HA GLU 8 HA GLU 8 3.286 -0.296 7.001 51 HB2 GLU 8 2HB GLU 8 6.147 -1.113 7.452 52 HB3 GLU 8 1HB GLU 8 5.480 0.360 8.118 53 HG2 GLU 8 2HG GLU 8 5.606 -1.368 9.794 54 HG3 GLU 8 1HG GLU 8 3.938 -0.949 9.457 55 H ARG 9 H ARG 9 6.148 -0.716 5.051 56 HA ARG 9 HA ARG 9 6.565 2.109 4.625 57 HB2 ARG 9 2HB ARG 9 8.312 0.254 4.746 58 HB3 ARG 9 1HB ARG 9 7.771 -0.266 3.176 59 HG2 ARG 9 2HG ARG 9 8.972 2.448 3.703 60 HG3 ARG 9 1HG ARG 9 9.923 1.036 3.290 61 HD2 ARG 9 2HD ARG 9 8.349 0.937 1.204 62 HD3 ARG 9 1HD ARG 9 8.037 2.631 1.609 63 HE ARG 9 HE ARG 9 10.836 1.923 1.550 64 HH11 ARG 9 1HH1 ARG 9 8.214 3.303 -0.434 65 HH12 ARG 9 2HH1 ARG 9 9.264 3.892 -1.587 66 HH21 ARG 9 2HH2 ARG 9 11.687 3.595 -1.281 67 HH22 ARG 9 1HH2 ARG 9 12.145 2.632 0.066 68 H LYS 10 H LYS 10 4.898 -0.388 2.885 69 HA LYS 10 HA LYS 10 4.705 1.140 0.468 70 HB2 LYS 10 2HB LYS 10 3.207 -1.288 1.401 71 HB3 LYS 10 1HB LYS 10 2.877 -0.517 -0.144 72 HG2 LYS 10 2HG LYS 10 5.153 -0.945 -0.868 73 HG3 LYS 10 1HG LYS 10 5.539 -1.636 0.705 74 HD2 LYS 10 2HD LYS 10 3.516 -2.730 -1.264 75 HD3 LYS 10 1HD LYS 10 5.129 -3.384 -0.976 76 HE2 LYS 10 2HE LYS 10 4.439 -3.701 1.436 77 HE3 LYS 10 1HE LYS 10 2.799 -3.301 0.936 78 HZ1 LYS 10 3HZ LYS 10 4.438 -5.553 -0.056 79 HZ2 LYS 10 1HZ LYS 10 2.854 -5.205 -0.579 80 HZ3 LYS 10 2HZ LYS 10 3.152 -5.655 1.035 81 H ILE 11 H ILE 11 2.686 0.909 3.388 82 HA ILE 11 HA ILE 11 0.533 2.166 2.041 83 HB ILE 11 HB ILE 11 -0.441 2.394 4.229 84 HG12 ILE 11 2HG1 ILE 11 2.148 1.190 5.180 85 HG13 ILE 11 1HG1 ILE 11 1.439 2.731 5.639 86 HG21 ILE 11 1HG2 ILE 11 -0.774 0.349 2.925 87 HG22 ILE 11 2HG2 ILE 11 -0.637 -0.093 4.645 88 HG23 ILE 11 3HG2 ILE 11 0.756 -0.265 3.560 89 HD11 ILE 11 3HD1 ILE 11 0.412 0.035 6.215 90 HD12 ILE 11 1HD1 ILE 11 -0.369 1.532 6.756 91 HD13 ILE 11 2HD1 ILE 11 1.251 1.091 7.360 92 H ILE 12 H ILE 12 3.204 3.187 4.097 93 HA ILE 12 HA ILE 12 2.128 5.813 4.186 94 HB ILE 12 HB ILE 12 3.957 6.495 5.404 95 HG12 ILE 12 2HG1 ILE 12 6.131 4.803 5.155 96 HG13 ILE 12 1HG1 ILE 12 5.464 4.868 3.545 97 HG21 ILE 12 1HG2 ILE 12 4.668 4.780 6.967 98 HG22 ILE 12 2HG2 ILE 12 3.954 3.555 5.919 99 HG23 ILE 12 3HG2 ILE 12 2.931 4.782 6.663 100 HD11 ILE 12 3HD1 ILE 12 6.204 7.373 5.090 101 HD12 ILE 12 1HD1 ILE 12 5.464 7.335 3.499 102 HD13 ILE 12 2HD1 ILE 12 7.084 6.706 3.710 103 H ASP 13 H ASP 13 4.033 3.967 1.942 104 HA ASP 13 HA ASP 13 5.204 6.166 0.628 105 HB2 ASP 13 2HB ASP 13 5.950 3.751 0.382 106 HB3 ASP 13 1HB ASP 13 4.578 3.532 -0.703 107 H PHE 14 H PHE 14 2.212 4.403 0.192 108 HA PHE 14 HA PHE 14 1.188 5.689 -2.048 109 HB2 PHE 14 2HB PHE 14 0.047 3.797 -1.122 110 HB3 PHE 14 1HB PHE 14 -0.088 4.566 0.450 111 HD1 PHE 14 HD1 PHE 14 -1.756 6.119 0.903 112 HD2 PHE 14 HD2 PHE 14 -1.427 4.419 -2.945 113 HE1 PHE 14 HE1 PHE 14 -4.006 6.953 0.380 114 HE2 PHE 14 HE2 PHE 14 -3.690 5.241 -3.524 115 HZ PHE 14 HZ PHE 14 -4.988 6.517 -1.855 116 H LEU 15 H LEU 15 0.867 6.511 1.377 117 HA LEU 15 HA LEU 15 -0.458 8.942 1.268 118 HB2 LEU 15 2HB LEU 15 -0.280 8.263 3.251 119 HB3 LEU 15 1HB LEU 15 1.322 7.520 3.118 120 HG LEU 15 HG LEU 15 1.915 10.116 2.925 121 HD11 LEU 15 1HD1 LEU 15 -0.180 10.912 3.111 122 HD12 LEU 15 2HD1 LEU 15 0.779 11.459 4.494 123 HD13 LEU 15 3HD1 LEU 15 -0.447 10.186 4.708 124 HD21 LEU 15 3HD2 LEU 15 3.119 8.811 4.308 125 HD22 LEU 15 1HD2 LEU 15 1.754 8.428 5.365 126 HD23 LEU 15 2HD2 LEU 15 2.454 10.063 5.370 127 H ARG 16 H ARG 16 2.881 8.196 1.318 128 HA ARG 16 HA ARG 16 4.138 10.552 1.311 129 HB2 ARG 16 2HB ARG 16 5.407 8.630 1.484 130 HB3 ARG 16 1HB ARG 16 4.685 7.950 0.037 131 HG2 ARG 16 2HG ARG 16 5.898 9.363 -1.335 132 HG3 ARG 16 1HG ARG 16 6.524 10.261 0.043 133 HD2 ARG 16 2HD ARG 16 7.519 8.040 0.820 134 HD3 ARG 16 1HD ARG 16 7.022 7.371 -0.717 135 HE ARG 16 HE ARG 16 8.594 9.697 -1.058 136 HH11 ARG 16 1HH1 ARG 16 8.712 6.172 -0.828 137 HH12 ARG 16 2HH1 ARG 16 10.449 6.116 -0.893 138 HH21 ARG 16 2HH2 ARG 16 11.718 8.001 -1.283 139 HH22 ARG 16 1HH2 ARG 16 10.989 9.533 -1.379 140 H GLN 17 H GLN 17 2.833 8.836 -1.272 141 HA GLN 17 HA GLN 17 3.636 10.574 -3.379 142 HB2 GLN 17 2HB GLN 17 1.588 8.357 -3.412 143 HB3 GLN 17 1HB GLN 17 2.139 9.225 -4.837 144 HG2 GLN 17 2HG GLN 17 4.405 8.386 -4.490 145 HG3 GLN 17 1HG GLN 17 3.882 7.564 -3.024 146 HE21 GLN 17 2HE2 GLN 17 3.576 4.746 -5.040 147 HE22 GLN 17 1HE2 GLN 17 4.463 5.504 -3.779 148 H ASN 18 H ASN 18 0.716 10.427 -1.298 149 HA ASN 18 HA ASN 18 -0.398 12.458 -3.110 150 HB2 ASN 18 2HB ASN 18 -1.682 11.495 -0.530 151 HB3 ASN 18 1HB ASN 18 -2.449 12.436 -1.802 152 HD21 ASN 18 2HD2 ASN 18 -2.353 8.450 -1.903 153 HD22 ASN 18 1HD2 ASN 18 -1.852 9.462 -0.584 154 H GLY 19 H GLY 19 1.138 12.106 -0.134 155 HA2 GLY 19 2HA GLY 19 2.393 14.407 0.111 156 HA3 GLY 19 1HA GLY 19 0.773 14.872 0.608 157 H LYS 20 H LYS 20 3.495 12.597 1.403 158 HA LYS 20 HA LYS 20 3.054 11.656 3.794 159 HB2 LYS 20 2HB LYS 20 5.447 12.841 4.284 160 HB3 LYS 20 1HB LYS 20 5.229 11.335 3.418 161 HG2 LYS 20 2HG LYS 20 6.765 12.777 2.271 162 HG3 LYS 20 1HG LYS 20 5.313 12.520 1.302 163 HD2 LYS 20 2HD LYS 20 6.022 14.849 1.072 164 HD3 LYS 20 1HD LYS 20 4.533 14.800 2.004 165 HE2 LYS 20 2HE LYS 20 6.062 16.396 2.963 166 HE3 LYS 20 1HE LYS 20 5.830 15.046 4.062 167 HZ1 LYS 20 3HZ LYS 20 8.148 15.776 3.898 168 HZ2 LYS 20 1HZ LYS 20 8.179 15.445 2.270 169 HZ3 LYS 20 2HZ LYS 20 8.043 14.167 3.341 170 H SER 21 H SER 21 3.227 12.297 5.999 171 HA SER 21 HA SER 21 2.926 14.984 6.824 172 HB2 SER 21 2HB SER 21 0.947 14.827 5.258 173 HB3 SER 21 1HB SER 21 0.313 13.529 6.258 174 HG SER 21 HG SER 21 0.306 16.230 6.618 175 H ILE 22 H ILE 22 0.874 14.508 8.712 176 HA ILE 22 HA ILE 22 2.340 12.785 10.506 177 HB ILE 22 HB ILE 22 0.858 13.486 12.296 178 HG12 ILE 22 2HG1 ILE 22 -1.200 13.763 10.801 179 HG13 ILE 22 1HG1 ILE 22 -1.029 14.950 12.095 180 HG21 ILE 22 1HG2 ILE 22 1.903 15.800 10.699 181 HG22 ILE 22 2HG2 ILE 22 2.777 14.849 11.901 182 HG23 ILE 22 3HG2 ILE 22 1.432 15.876 12.397 183 HD11 ILE 22 3HD1 ILE 22 -0.159 16.522 10.330 184 HD12 ILE 22 1HD1 ILE 22 -1.831 16.007 10.109 185 HD13 ILE 22 2HD1 ILE 22 -0.568 15.289 9.133 186 H ALA 23 H ALA 23 1.034 11.381 11.987 187 HA ALA 23 HA ALA 23 0.148 9.144 10.636 188 HB1 ALA 23 1HB ALA 23 -0.525 8.309 12.804 189 HB2 ALA 23 2HB ALA 23 -0.493 9.955 13.442 190 HB3 ALA 23 3HB ALA 23 1.010 9.184 12.926 191 H LEU 24 H LEU 24 -1.650 11.921 11.525 192 HA LEU 24 HA LEU 24 -4.223 10.691 11.696 193 HB2 LEU 24 2HB LEU 24 -3.535 12.829 12.835 194 HB3 LEU 24 1HB LEU 24 -3.495 13.607 11.275 195 HG LEU 24 HG LEU 24 -6.023 12.458 12.498 196 HD11 LEU 24 1HD1 LEU 24 -4.974 15.282 12.552 197 HD12 LEU 24 2HD1 LEU 24 -5.118 14.198 13.939 198 HD13 LEU 24 3HD1 LEU 24 -6.566 14.764 13.106 199 HD21 LEU 24 3HD2 LEU 24 -7.157 13.914 10.901 200 HD22 LEU 24 1HD2 LEU 24 -6.082 12.792 10.062 201 HD23 LEU 24 2HD2 LEU 24 -5.600 14.476 10.287 202 H THR 25 H THR 25 -2.280 12.222 9.202 203 HA THR 25 HA THR 25 -4.344 12.303 7.262 204 HB THR 25 HB THR 25 -1.361 12.311 6.909 205 HG1 THR 25 HG1 THR 25 -1.448 14.344 7.506 206 HG21 THR 25 3HG2 THR 25 -3.592 13.298 5.091 207 HG22 THR 25 1HG2 THR 25 -2.726 11.776 4.922 208 HG23 THR 25 2HG2 THR 25 -1.853 13.297 4.724 209 H ILE 26 H ILE 26 -1.543 10.235 7.917 210 HA ILE 26 HA ILE 26 -1.694 8.415 5.885 211 HB ILE 26 HB ILE 26 -1.187 7.547 8.746 212 HG12 ILE 26 2HG1 ILE 26 0.667 8.973 6.797 213 HG13 ILE 26 1HG1 ILE 26 0.126 9.556 8.345 214 HG21 ILE 26 1HG2 ILE 26 -0.192 6.519 6.097 215 HG22 ILE 26 2HG2 ILE 26 -1.391 5.787 7.172 216 HG23 ILE 26 3HG2 ILE 26 0.292 5.916 7.696 217 HD11 ILE 26 3HD1 ILE 26 1.938 7.192 7.935 218 HD12 ILE 26 1HD1 ILE 26 1.389 7.815 9.492 219 HD13 ILE 26 2HD1 ILE 26 2.425 8.804 8.463 220 H ALA 27 H ALA 27 -3.565 8.443 8.860 221 HA ALA 27 HA ALA 27 -4.926 6.039 8.541 222 HB1 ALA 27 1HB ALA 27 -5.871 8.561 9.884 223 HB2 ALA 27 2HB ALA 27 -4.826 7.327 10.588 224 HB3 ALA 27 3HB ALA 27 -6.497 6.926 10.164 225 H LYS 28 H LYS 28 -5.740 9.298 7.421 226 HA LYS 28 HA LYS 28 -8.258 8.577 6.297 227 HB2 LYS 28 2HB LYS 28 -6.455 10.926 5.718 228 HB3 LYS 28 1HB LYS 28 -8.087 10.749 5.092 229 HG2 LYS 28 2HG LYS 28 -8.972 10.799 7.359 230 HG3 LYS 28 1HG LYS 28 -7.330 10.935 7.998 231 HD2 LYS 28 2HD LYS 28 -7.029 13.050 6.852 232 HD3 LYS 28 1HD LYS 28 -8.633 12.911 6.128 233 HE2 LYS 28 2HE LYS 28 -9.651 13.000 8.332 234 HE3 LYS 28 1HE LYS 28 -8.058 13.072 9.080 235 HZ1 LYS 28 3HZ LYS 28 -9.057 15.261 8.924 236 HZ2 LYS 28 1HZ LYS 28 -9.194 15.111 7.242 237 HZ3 LYS 28 2HZ LYS 28 -7.667 15.175 7.966 238 H GLU 29 H GLU 29 -5.013 8.942 4.978 239 HA GLU 29 HA GLU 29 -5.356 8.651 2.264 240 HB2 GLU 29 2HB GLU 29 -3.211 7.572 4.074 241 HB3 GLU 29 1HB GLU 29 -3.089 7.587 2.324 242 HG2 GLU 29 2HG GLU 29 -3.523 10.051 3.961 243 HG3 GLU 29 1HG GLU 29 -1.924 9.428 3.552 244 H ILE 30 H ILE 30 -4.861 6.153 4.648 245 HA ILE 30 HA ILE 30 -5.406 4.146 2.582 246 HB ILE 30 HB ILE 30 -4.600 2.446 4.223 247 HG12 ILE 30 2HG1 ILE 30 -3.806 4.911 5.791 248 HG13 ILE 30 1HG1 ILE 30 -4.951 3.688 6.310 249 HG21 ILE 30 1HG2 ILE 30 -2.717 4.669 3.437 250 HG22 ILE 30 2HG2 ILE 30 -3.182 3.287 2.441 251 HG23 ILE 30 3HG2 ILE 30 -2.229 3.040 3.907 252 HD11 ILE 30 3HD1 ILE 30 -1.982 3.337 5.921 253 HD12 ILE 30 1HD1 ILE 30 -3.098 2.047 6.365 254 HD13 ILE 30 2HD1 ILE 30 -2.848 3.407 7.456 255 H GLY 31 H GLY 31 -7.165 5.734 4.722 256 HA2 GLY 31 2HA GLY 31 -9.324 5.474 5.463 257 HA3 GLY 31 1HA GLY 31 -9.427 4.055 4.436 258 H LEU 32 H LEU 32 -7.052 4.359 6.937 259 HA LEU 32 HA LEU 32 -8.458 2.216 8.385 260 HB2 LEU 32 2HB LEU 32 -5.469 2.689 8.414 261 HB3 LEU 32 1HB LEU 32 -6.322 1.376 9.186 262 HG LEU 32 HG LEU 32 -5.738 1.778 6.270 263 HD11 LEU 32 1HD1 LEU 32 -5.213 -0.513 8.125 264 HD12 LEU 32 2HD1 LEU 32 -4.046 0.692 7.604 265 HD13 LEU 32 3HD1 LEU 32 -4.749 -0.421 6.426 266 HD21 LEU 32 3HD2 LEU 32 -8.047 1.179 6.353 267 HD22 LEU 32 1HD2 LEU 32 -7.720 -0.194 7.424 268 HD23 LEU 32 2HD2 LEU 32 -7.099 -0.181 5.762 269 H ASP 33 H ASP 33 -7.295 2.160 10.759 270 HA ASP 33 HA ASP 33 -8.137 4.696 11.849 271 HB2 ASP 33 2HB ASP 33 -8.956 2.587 12.888 272 HB3 ASP 33 1HB ASP 33 -7.299 2.160 13.284 273 H LYS 34 H LYS 34 -6.836 5.671 13.574 274 HA LYS 34 HA LYS 34 -4.233 6.209 12.534 275 HB2 LYS 34 2HB LYS 34 -4.088 8.035 14.002 276 HB3 LYS 34 1HB LYS 34 -5.798 7.923 13.656 277 HG2 LYS 34 2HG LYS 34 -4.439 6.955 16.189 278 HG3 LYS 34 1HG LYS 34 -5.328 8.458 16.016 279 HD2 LYS 34 2HD LYS 34 -6.525 5.705 15.670 280 HD3 LYS 34 1HD LYS 34 -6.577 6.625 17.167 281 HE2 LYS 34 2HE LYS 34 -7.854 8.383 16.030 282 HE3 LYS 34 1HE LYS 34 -7.782 7.460 14.529 283 HZ1 LYS 34 3HZ LYS 34 -9.050 6.457 17.031 284 HZ2 LYS 34 1HZ LYS 34 -9.003 5.695 15.540 285 HZ3 LYS 34 2HZ LYS 34 -9.905 7.088 15.695 286 H SER 35 H SER 35 -5.395 3.882 14.774 287 HA SER 35 HA SER 35 -3.008 3.867 16.402 288 HB2 SER 35 2HB SER 35 -5.266 1.850 16.295 289 HB3 SER 35 1HB SER 35 -4.151 2.148 17.635 290 HG SER 35 HG SER 35 -6.320 3.620 16.712 291 H THR 36 H THR 36 -4.575 2.238 13.730 292 HA THR 36 HA THR 36 -2.925 0.105 13.354 293 HB THR 36 HB THR 36 -4.186 1.720 11.174 294 HG1 THR 36 HG1 THR 36 -5.692 0.109 12.996 295 HG21 THR 36 3HG2 THR 36 -3.165 -0.489 10.826 296 HG22 THR 36 1HG2 THR 36 -4.930 -0.455 10.523 297 HG23 THR 36 2HG2 THR 36 -4.308 -1.082 12.065 298 H VAL 37 H VAL 37 -2.941 3.429 12.019 299 HA VAL 37 HA VAL 37 -0.634 3.387 10.497 300 HB VAL 37 HB VAL 37 -1.920 5.550 12.110 301 HG11 VAL 37 1HG1 VAL 37 0.093 5.790 9.874 302 HG12 VAL 37 2HG1 VAL 37 0.342 6.158 11.586 303 HG13 VAL 37 3HG1 VAL 37 -0.767 7.136 10.638 304 HG21 VAL 37 3HG2 VAL 37 -2.918 6.229 9.959 305 HG22 VAL 37 1HG2 VAL 37 -3.411 4.614 10.470 306 HG23 VAL 37 2HG2 VAL 37 -2.191 4.808 9.213 307 H ASN 38 H ASN 38 -1.086 4.322 13.889 308 HA ASN 38 HA ASN 38 1.503 5.001 14.508 309 HB2 ASN 38 2HB ASN 38 -0.746 4.000 16.168 310 HB3 ASN 38 1HB ASN 38 0.864 3.941 16.873 311 HD21 ASN 38 2HD2 ASN 38 -1.027 7.468 16.382 312 HD22 ASN 38 1HD2 ASN 38 -1.636 6.011 15.653 313 H ARG 39 H ARG 39 0.088 1.788 14.662 314 HA ARG 39 HA ARG 39 2.455 0.608 15.749 315 HB2 ARG 39 2HB ARG 39 1.679 -1.603 15.188 316 HB3 ARG 39 1HB ARG 39 0.286 -0.666 15.727 317 HG2 ARG 39 2HG ARG 39 -0.614 -0.583 13.581 318 HG3 ARG 39 1HG ARG 39 0.926 -0.945 12.829 319 HD2 ARG 39 2HD ARG 39 -0.697 -2.899 14.464 320 HD3 ARG 39 1HD ARG 39 -0.627 -2.857 12.703 321 HE ARG 39 HE ARG 39 1.315 -3.926 14.517 322 HH11 ARG 39 1HH1 ARG 39 0.938 -2.648 11.179 323 HH12 ARG 39 2HH1 ARG 39 2.344 -3.417 10.608 324 HH21 ARG 39 2HH2 ARG 39 3.568 -4.789 11.886 325 HH22 ARG 39 1HH2 ARG 39 3.252 -5.066 13.547 326 H HIS 40 H HIS 40 1.453 1.173 12.485 327 HA HIS 40 HA HIS 40 3.526 -0.359 11.300 328 HB2 HIS 40 2HB HIS 40 1.691 1.744 10.143 329 HB3 HIS 40 1HB HIS 40 2.953 1.001 9.177 330 HD1 HIS 40 HD1 HIS 40 2.387 -1.349 8.165 331 HD2 HIS 40 HD2 HIS 40 -0.388 -0.043 10.959 332 HE1 HIS 40 HE1 HIS 40 0.454 -2.917 8.000 333 H LEU 41 H LEU 41 3.238 3.002 12.177 334 HA LEU 41 HA LEU 41 5.693 3.663 10.849 335 HB2 LEU 41 2HB LEU 41 5.445 5.888 11.840 336 HB3 LEU 41 1HB LEU 41 4.051 5.397 10.896 337 HG LEU 41 HG LEU 41 3.099 4.738 13.253 338 HD11 LEU 41 1HD1 LEU 41 5.089 6.848 14.002 339 HD12 LEU 41 2HD1 LEU 41 5.089 5.166 14.538 340 HD13 LEU 41 3HD1 LEU 41 3.785 6.249 15.029 341 HD21 LEU 41 3HD2 LEU 41 3.293 7.607 12.419 342 HD22 LEU 41 1HD2 LEU 41 2.042 6.845 13.416 343 HD23 LEU 41 2HD2 LEU 41 2.233 6.377 11.713 344 H TYR 42 H TYR 42 4.749 2.698 14.086 345 HA TYR 42 HA TYR 42 6.930 3.469 15.491 346 HB2 TYR 42 2HB TYR 42 4.839 1.447 15.468 347 HB3 TYR 42 1HB TYR 42 6.117 1.201 16.579 348 HD1 TYR 42 HD1 TYR 42 3.486 1.294 17.565 349 HD2 TYR 42 HD2 TYR 42 5.934 4.631 16.626 350 HE1 TYR 42 HE1 TYR 42 2.117 2.710 19.051 351 HE2 TYR 42 HE2 TYR 42 4.589 6.050 18.103 352 HH TYR 42 HH TYR 42 2.221 6.021 18.949 353 H ASN 43 H ASN 43 6.179 0.681 13.516 354 HA ASN 43 HA ASN 43 8.460 -0.903 14.127 355 HB2 ASN 43 2HB ASN 43 6.850 -0.851 11.560 356 HB3 ASN 43 1HB ASN 43 7.986 -2.111 12.015 357 HD21 ASN 43 2HD2 ASN 43 4.397 -2.887 12.838 358 HD22 ASN 43 1HD2 ASN 43 5.132 -2.226 11.431 359 H LEU 44 H LEU 44 7.767 1.237 11.432 360 HA LEU 44 HA LEU 44 10.291 0.990 10.206 361 HB2 LEU 44 2HB LEU 44 8.400 3.318 9.979 362 HB3 LEU 44 1HB LEU 44 9.619 2.827 8.860 363 HG LEU 44 HG LEU 44 7.190 1.151 9.438 364 HD11 LEU 44 1HD1 LEU 44 6.396 1.953 7.243 365 HD12 LEU 44 2HD1 LEU 44 7.770 3.051 7.165 366 HD13 LEU 44 3HD1 LEU 44 6.543 3.264 8.412 367 HD21 LEU 44 3HD2 LEU 44 7.875 -0.006 7.379 368 HD22 LEU 44 1HD2 LEU 44 9.113 -0.113 8.632 369 HD23 LEU 44 2HD2 LEU 44 9.302 1.020 7.292 370 H GLN 45 H GLN 45 9.073 3.059 12.753 371 HA GLN 45 HA GLN 45 10.900 5.179 12.610 372 HB2 GLN 45 2HB GLN 45 8.759 5.020 14.036 373 HB3 GLN 45 1HB GLN 45 9.727 4.089 15.110 374 HG2 GLN 45 2HG GLN 45 11.087 5.766 15.787 375 HG3 GLN 45 1HG GLN 45 10.849 6.703 14.316 376 HE21 GLN 45 2HE2 GLN 45 8.137 8.438 15.459 377 HE22 GLN 45 1HE2 GLN 45 9.119 7.980 14.120 378 H ARG 46 H ARG 46 10.842 2.366 14.543 379 HA ARG 46 HA ARG 46 13.340 2.854 15.886 380 HB2 ARG 46 2HB ARG 46 11.623 0.405 15.650 381 HB3 ARG 46 1HB ARG 46 13.043 0.519 16.683 382 HG2 ARG 46 2HG ARG 46 12.049 2.145 18.053 383 HG3 ARG 46 1HG ARG 46 10.755 2.440 16.887 384 HD2 ARG 46 2HD ARG 46 11.230 -0.205 18.094 385 HD3 ARG 46 1HD ARG 46 10.191 0.992 18.921 386 HE ARG 46 HE ARG 46 9.259 0.832 16.371 387 HH11 ARG 46 1HH1 ARG 46 9.783 -1.576 18.933 388 HH12 ARG 46 2HH1 ARG 46 8.534 -2.625 18.444 389 HH21 ARG 46 2HH2 ARG 46 7.201 -2.071 16.501 390 HH22 ARG 46 1HH2 ARG 46 7.503 -0.643 15.682 391 H SER 47 H SER 47 12.343 1.294 13.091 392 HA SER 47 HA SER 47 14.790 -0.096 12.595 393 HB2 SER 47 2HB SER 47 12.635 -0.964 11.757 394 HB3 SER 47 1HB SER 47 12.461 0.461 10.740 395 HG SER 47 HG SER 47 14.669 -0.311 9.951 396 H ASN 48 H ASN 48 13.939 3.271 12.375 397 HA ASN 48 HA ASN 48 14.867 5.020 11.469 398 HB2 ASN 48 2HB ASN 48 17.080 3.044 11.081 399 HB3 ASN 48 1HB ASN 48 17.287 4.719 10.542 400 HD21 ASN 48 2HD2 ASN 48 17.517 3.694 14.452 401 HD22 ASN 48 1HD2 ASN 48 17.028 2.551 13.246 402 H GLN 49 H GLN 49 13.084 3.512 10.037 403 HA GLN 49 HA GLN 49 13.989 3.709 7.260 404 HB2 GLN 49 2HB GLN 49 13.037 1.539 8.168 405 HB3 GLN 49 1HB GLN 49 11.558 2.378 8.533 406 HG2 GLN 49 2HG GLN 49 12.682 1.797 5.785 407 HG3 GLN 49 1HG GLN 49 11.322 0.986 6.550 408 HE21 GLN 49 2HE2 GLN 49 10.825 4.421 4.631 409 HE22 GLN 49 1HE2 GLN 49 12.356 3.591 4.706 410 H VAL 50 H VAL 50 11.496 4.479 9.628 411 HA VAL 50 HA VAL 50 10.839 6.876 8.103 412 HB VAL 50 HB VAL 50 9.083 4.884 8.252 413 HG11 VAL 50 1HG1 VAL 50 8.476 6.496 10.758 414 HG12 VAL 50 2HG1 VAL 50 9.197 4.922 10.763 415 HG13 VAL 50 3HG1 VAL 50 7.510 5.126 10.177 416 HG21 VAL 50 3HG2 VAL 50 8.361 7.787 8.592 417 HG22 VAL 50 1HG2 VAL 50 7.236 6.530 8.073 418 HG23 VAL 50 2HG2 VAL 50 8.640 6.922 7.081 419 H PHE 51 H PHE 51 10.470 8.502 9.370 420 HA PHE 51 HA PHE 51 10.321 8.568 12.156 421 HB2 PHE 51 2HB PHE 51 12.624 9.836 12.498 422 HB3 PHE 51 1HB PHE 51 12.593 8.076 12.475 423 HD1 PHE 51 HD1 PHE 51 13.972 6.914 11.126 424 HD2 PHE 51 HD2 PHE 51 13.228 10.998 10.225 425 HE1 PHE 51 HE1 PHE 51 15.653 6.795 9.399 426 HE2 PHE 51 HE2 PHE 51 14.937 10.917 8.453 427 HZ PHE 51 HZ PHE 51 16.166 8.814 8.023 428 H ASN 52 H ASN 52 11.033 11.108 12.805 429 HA ASN 52 HA ASN 52 9.476 12.623 10.901 430 HB2 ASN 52 2HB ASN 52 11.038 13.724 13.213 431 HB3 ASN 52 1HB ASN 52 9.812 14.542 12.301 432 HD21 ASN 52 2HD2 ASN 52 7.059 13.190 13.937 433 HD22 ASN 52 1HD2 ASN 52 7.611 14.113 12.595 434 H SER 53 H SER 53 10.314 14.148 9.507 435 HA SER 53 HA SER 53 13.170 13.868 9.244 436 HB2 SER 53 2HB SER 53 12.133 12.205 7.812 437 HB3 SER 53 1HB SER 53 11.134 13.442 7.059 438 HG SER 53 HG SER 53 13.007 12.810 5.879 439 H ASN 54 H ASN 54 14.051 15.526 9.120 440 HA ASN 54 HA ASN 54 15.003 17.556 8.644 441 HB2 ASN 54 2HB ASN 54 15.760 17.401 6.512 442 HB3 ASN 54 1HB ASN 54 14.970 15.836 6.817 443 HD21 ASN 54 2HD2 ASN 54 12.492 16.190 4.403 444 HD22 ASN 54 1HD2 ASN 54 13.095 15.263 5.731 445 H GLU 55 H GLU 55 11.623 17.713 7.730 446 HA GLU 55 HA GLU 55 12.086 20.368 6.794 447 HB2 GLU 55 2HB GLU 55 9.615 20.323 6.160 448 HB3 GLU 55 1HB GLU 55 10.698 19.264 5.280 449 HG2 GLU 55 2HG GLU 55 9.975 17.425 6.778 450 HG3 GLU 55 1HG GLU 55 8.733 18.509 7.424 451 H LYS 56 H LYS 56 9.963 21.802 7.423 452 HA LYS 56 HA LYS 56 10.790 22.243 10.088 453 HB2 LYS 56 2HB LYS 56 9.263 24.016 8.207 454 HB3 LYS 56 1HB LYS 56 9.443 24.425 9.913 455 HG2 LYS 56 2HG LYS 56 11.179 25.544 8.689 456 HG3 LYS 56 1HG LYS 56 11.918 24.263 9.650 457 HD2 LYS 56 2HD LYS 56 11.423 23.017 7.230 458 HD3 LYS 56 1HD LYS 56 11.850 24.655 6.737 459 HE2 LYS 56 2HE LYS 56 13.871 23.365 6.769 460 HE3 LYS 56 1HE LYS 56 13.922 24.443 8.159 461 HZ1 LYS 56 3HZ LYS 56 13.097 22.459 9.522 462 HZ2 LYS 56 1HZ LYS 56 14.644 22.280 8.864 463 HZ3 LYS 56 2HZ LYS 56 13.372 21.506 8.158 464 HA PRO 57 HA PRO 57 6.615 20.842 11.359 465 HB2 PRO 57 2HB PRO 57 5.269 19.560 9.124 466 HB3 PRO 57 1HB PRO 57 4.664 20.926 10.079 467 HG2 PRO 57 2HG PRO 57 5.333 21.136 7.456 468 HG3 PRO 57 1HG PRO 57 5.403 22.484 8.609 469 HD2 PRO 57 2HD PRO 57 7.622 20.771 7.594 470 HD3 PRO 57 1HD PRO 57 7.586 22.525 7.890 471 HA PRO 58 HA PRO 58 9.451 17.247 11.152 472 HB2 PRO 58 2HB PRO 58 7.719 16.400 13.441 473 HB3 PRO 58 1HB PRO 58 9.493 16.463 13.348 474 HG2 PRO 58 2HG PRO 58 8.213 18.289 14.721 475 HG3 PRO 58 1HG PRO 58 9.590 18.734 13.693 476 HD2 PRO 58 2HD PRO 58 6.677 19.143 13.198 477 HD3 PRO 58 1HD PRO 58 8.055 20.198 12.818 478 H VAL 59 H VAL 59 8.891 16.119 9.349 479 HA VAL 59 HA VAL 59 6.170 15.169 8.998 480 HB VAL 59 HB VAL 59 7.515 16.199 7.178 481 HG11 VAL 59 1HG1 VAL 59 9.093 14.800 5.942 482 HG12 VAL 59 2HG1 VAL 59 9.038 13.643 7.283 483 HG13 VAL 59 3HG1 VAL 59 9.651 15.269 7.549 484 HG21 VAL 59 3HG2 VAL 59 5.573 15.011 6.463 485 HG22 VAL 59 1HG2 VAL 59 6.377 13.455 6.785 486 HG23 VAL 59 2HG2 VAL 59 6.947 14.425 5.480 487 H TRP 60 H TRP 60 5.368 13.218 9.031 488 HA TRP 60 HA TRP 60 7.224 11.120 9.699 489 HB2 TRP 60 2HB TRP 60 4.188 11.011 9.453 490 HB3 TRP 60 1HB TRP 60 5.231 9.745 10.104 491 HD1 TRP 60 HD1 TRP 60 4.285 13.352 10.876 492 HE1 TRP 60 HE1 TRP 60 4.267 13.715 13.450 493 HE3 TRP 60 HE3 TRP 60 5.935 8.764 12.315 494 HZ2 TRP 60 HZ2 TRP 60 4.895 12.223 15.755 495 HZ3 TRP 60 HZ3 TRP 60 6.221 8.315 14.727 496 HH2 TRP 60 HH2 TRP 60 5.709 10.001 16.396 497 H ASP 61 H ASP 61 8.234 10.751 8.079 498 HA ASP 61 HA ASP 61 7.214 9.780 5.598 499 HB2 ASP 61 2HB ASP 61 7.124 12.294 5.331 500 HB3 ASP 61 1HB ASP 61 8.829 12.363 5.718 501 H LEU 62 H LEU 62 9.499 9.928 4.334 502 HA LEU 62 HA LEU 62 11.399 8.746 6.203 503 HB2 LEU 62 2HB LEU 62 11.596 6.746 4.683 504 HB3 LEU 62 1HB LEU 62 10.120 7.060 5.602 505 HG LEU 62 HG LEU 62 8.908 7.745 3.636 506 HD11 LEU 62 1HD1 LEU 62 9.776 7.677 1.422 507 HD12 LEU 62 2HD1 LEU 62 11.322 7.099 2.010 508 HD13 LEU 62 3HD1 LEU 62 10.792 8.743 2.402 509 HD21 LEU 62 3HD2 LEU 62 10.339 5.160 3.094 510 HD22 LEU 62 1HD2 LEU 62 8.788 5.653 2.426 511 HD23 LEU 62 2HD2 LEU 62 8.946 5.355 4.160 512 H MET 63 H MET 63 13.233 7.741 4.402 513 HA MET 63 HA MET 63 14.204 10.106 2.930 514 HB2 MET 63 2HB MET 63 15.178 9.873 5.279 515 HB3 MET 63 1HB MET 63 15.828 8.329 4.738 516 HG2 MET 63 2HG MET 63 17.224 9.441 3.095 517 HG3 MET 63 1HG MET 63 16.531 11.004 3.523 518 HE1 MET 63 3HE MET 63 16.948 12.211 5.869 519 HE2 MET 63 1HE MET 63 17.917 11.515 7.169 520 HE3 MET 63 2HE MET 63 16.379 10.779 6.730 521 H GLU 64 H GLU 64 12.883 7.759 2.047 522 HA GLU 64 HA GLU 64 15.005 6.218 0.746 523 HB2 GLU 64 2HB GLU 64 13.984 5.262 2.868 524 HB3 GLU 64 1HB GLU 64 12.487 5.107 1.975 525 HG2 GLU 64 2HG GLU 64 13.737 3.644 0.354 526 HG3 GLU 64 1HG GLU 64 15.082 3.666 1.502 Start of MODEL 2 1 HA MET 1 HA MET 1 12.452 -11.932 1.719 2 HB2 MET 1 2HB MET 1 12.746 -10.519 4.396 3 HB3 MET 1 1HB MET 1 12.175 -12.165 4.194 4 HG2 MET 1 2HG MET 1 14.345 -12.840 3.347 5 HG3 MET 1 1HG MET 1 14.920 -11.174 3.445 6 HE1 MET 1 2HE MET 1 17.028 -12.026 4.873 7 HE2 MET 1 3HE MET 1 16.431 -13.684 4.803 8 HE3 MET 1 1HE MET 1 16.872 -12.969 6.355 9 H SER 2 H SER 2 10.257 -12.440 2.959 10 HA SER 2 HA SER 2 8.493 -10.203 2.369 11 HB2 SER 2 2HB SER 2 8.091 -12.380 1.153 12 HB3 SER 2 1HB SER 2 7.850 -13.158 2.717 13 HG SER 2 HG SER 2 5.845 -12.618 2.225 14 H ALA 3 H ALA 3 7.499 -9.260 4.066 15 HA ALA 3 HA ALA 3 7.077 -10.600 6.540 16 HB1 ALA 3 1HB ALA 3 9.065 -8.318 6.419 17 HB2 ALA 3 2HB ALA 3 9.444 -9.994 6.814 18 HB3 ALA 3 3HB ALA 3 8.422 -9.043 7.892 19 H GLU 4 H GLU 4 6.001 -9.067 8.055 20 HA GLU 4 HA GLU 4 3.958 -7.705 6.705 21 HB2 GLU 4 2HB GLU 4 3.647 -8.824 8.865 22 HB3 GLU 4 1HB GLU 4 4.722 -7.668 9.629 23 HG2 GLU 4 2HG GLU 4 3.166 -5.880 9.180 24 HG3 GLU 4 1HG GLU 4 2.108 -6.990 8.317 25 H THR 5 H THR 5 7.040 -6.639 7.923 26 HA THR 5 HA THR 5 6.523 -3.897 8.157 27 HB THR 5 HB THR 5 9.091 -3.834 7.787 28 HG1 THR 5 HG1 THR 5 10.075 -5.786 7.752 29 HG21 THR 5 3HG2 THR 5 8.002 -3.718 10.003 30 HG22 THR 5 1HG2 THR 5 9.466 -4.700 10.067 31 HG23 THR 5 2HG2 THR 5 7.883 -5.476 10.030 32 H GLN 6 H GLN 6 6.953 -5.927 5.420 33 HA GLN 6 HA GLN 6 7.819 -3.888 3.597 34 HB2 GLN 6 2HB GLN 6 8.118 -6.502 3.490 35 HB3 GLN 6 1HB GLN 6 6.500 -6.501 2.823 36 HG2 GLN 6 2HG GLN 6 8.728 -4.905 1.591 37 HG3 GLN 6 1HG GLN 6 8.477 -6.600 1.211 38 HE21 GLN 6 2HE2 GLN 6 6.820 -4.213 -1.193 39 HE22 GLN 6 1HE2 GLN 6 8.367 -4.220 -0.437 40 H MET 7 H MET 7 4.864 -5.109 4.873 41 HA MET 7 HA MET 7 3.067 -3.929 2.965 42 HB2 MET 7 2HB MET 7 2.604 -4.931 5.784 43 HB3 MET 7 1HB MET 7 1.327 -4.358 4.728 44 HG2 MET 7 2HG MET 7 3.114 -6.718 4.162 45 HG3 MET 7 1HG MET 7 1.497 -6.820 4.851 46 HE1 MET 7 3HE MET 7 -0.776 -5.596 1.918 47 HE2 MET 7 1HE MET 7 -0.129 -4.610 3.229 48 HE3 MET 7 2HE MET 7 -0.721 -6.237 3.559 49 H GLU 8 H GLU 8 4.280 -3.122 6.148 50 HA GLU 8 HA GLU 8 2.973 -0.752 6.664 51 HB2 GLU 8 2HB GLU 8 5.883 -1.325 7.230 52 HB3 GLU 8 1HB GLU 8 4.868 -0.188 8.107 53 HG2 GLU 8 2HG GLU 8 4.553 -3.189 8.069 54 HG3 GLU 8 1HG GLU 8 5.324 -2.260 9.351 55 H ARG 9 H ARG 9 5.884 -1.292 4.821 56 HA ARG 9 HA ARG 9 6.353 1.460 4.150 57 HB2 ARG 9 2HB ARG 9 8.311 0.292 3.741 58 HB3 ARG 9 1HB ARG 9 7.461 -1.183 3.328 59 HG2 ARG 9 2HG ARG 9 8.608 -0.533 1.364 60 HG3 ARG 9 1HG ARG 9 6.928 -0.108 1.092 61 HD2 ARG 9 2HD ARG 9 8.133 1.720 0.274 62 HD3 ARG 9 1HD ARG 9 7.606 2.244 1.872 63 HE ARG 9 HE ARG 9 9.998 1.254 2.433 64 HH11 ARG 9 1HH1 ARG 9 9.018 3.481 -0.248 65 HH12 ARG 9 2HH1 ARG 9 10.578 4.184 -0.271 66 HH21 ARG 9 2HH2 ARG 9 12.238 3.555 1.016 67 HH22 ARG 9 1HH2 ARG 9 12.121 2.282 2.198 68 H LYS 10 H LYS 10 4.535 -1.058 2.513 69 HA LYS 10 HA LYS 10 4.309 0.499 0.136 70 HB2 LYS 10 2HB LYS 10 2.693 -1.854 1.066 71 HB3 LYS 10 1HB LYS 10 2.448 -1.073 -0.493 72 HG2 LYS 10 2HG LYS 10 4.709 -1.595 -1.158 73 HG3 LYS 10 1HG LYS 10 5.044 -2.280 0.429 74 HD2 LYS 10 2HD LYS 10 3.049 -3.335 -1.580 75 HD3 LYS 10 1HD LYS 10 4.627 -4.037 -1.215 76 HE2 LYS 10 2HE LYS 10 3.819 -4.179 1.182 77 HE3 LYS 10 1HE LYS 10 2.194 -3.887 0.549 78 HZ1 LYS 10 3HZ LYS 10 2.582 -6.216 0.790 79 HZ2 LYS 10 1HZ LYS 10 4.032 -6.101 -0.068 80 HZ3 LYS 10 2HZ LYS 10 2.550 -5.890 -0.882 81 H ILE 11 H ILE 11 2.428 0.466 3.062 82 HA ILE 11 HA ILE 11 0.295 1.853 1.780 83 HB ILE 11 HB ILE 11 -0.639 2.042 4.020 84 HG12 ILE 11 2HG1 ILE 11 1.942 0.704 4.817 85 HG13 ILE 11 1HG1 ILE 11 1.269 2.209 5.421 86 HG21 ILE 11 1HG2 ILE 11 -0.989 -0.413 4.299 87 HG22 ILE 11 2HG2 ILE 11 0.418 -0.640 3.244 88 HG23 ILE 11 3HG2 ILE 11 -1.057 0.090 2.590 89 HD11 ILE 11 3HD1 ILE 11 0.236 -0.534 5.853 90 HD12 ILE 11 1HD1 ILE 11 -0.532 0.932 6.485 91 HD13 ILE 11 2HD1 ILE 11 1.089 0.467 7.036 92 H ILE 12 H ILE 12 3.029 2.685 3.879 93 HA ILE 12 HA ILE 12 2.129 5.401 3.942 94 HB ILE 12 HB ILE 12 3.910 5.917 5.295 95 HG12 ILE 12 2HG1 ILE 12 5.964 4.115 5.180 96 HG13 ILE 12 1HG1 ILE 12 5.435 4.207 3.523 97 HG21 ILE 12 1HG2 ILE 12 3.665 2.996 5.768 98 HG22 ILE 12 2HG2 ILE 12 2.682 4.287 6.456 99 HG23 ILE 12 3HG2 ILE 12 4.393 4.165 6.869 100 HD11 ILE 12 3HD1 ILE 12 7.133 5.966 3.790 101 HD12 ILE 12 1HD1 ILE 12 6.206 6.682 5.114 102 HD13 ILE 12 2HD1 ILE 12 5.555 6.689 3.505 103 H ASP 13 H ASP 13 4.097 3.456 1.860 104 HA ASP 13 HA ASP 13 5.540 5.490 0.569 105 HB2 ASP 13 2HB ASP 13 5.754 2.890 0.353 106 HB3 ASP 13 1HB ASP 13 4.521 3.061 -0.893 107 H PHE 14 H PHE 14 2.477 3.953 -0.128 108 HA PHE 14 HA PHE 14 1.777 5.534 -2.270 109 HB2 PHE 14 2HB PHE 14 0.407 3.651 -1.944 110 HB3 PHE 14 1HB PHE 14 0.213 3.981 -0.234 111 HD1 PHE 14 HD1 PHE 14 -1.492 5.366 0.558 112 HD2 PHE 14 HD2 PHE 14 -0.953 4.834 -3.609 113 HE1 PHE 14 HE1 PHE 14 -3.717 6.332 0.177 114 HE2 PHE 14 HE2 PHE 14 -3.180 5.813 -4.035 115 HZ PHE 14 HZ PHE 14 -4.572 6.564 -2.140 116 H LEU 15 H LEU 15 1.160 6.105 1.180 117 HA LEU 15 HA LEU 15 -0.077 8.530 0.887 118 HB2 LEU 15 2HB LEU 15 -0.506 7.688 2.786 119 HB3 LEU 15 1HB LEU 15 0.945 6.730 2.916 120 HG LEU 15 HG LEU 15 0.518 8.149 4.772 121 HD11 LEU 15 1HD1 LEU 15 3.003 9.014 3.306 122 HD12 LEU 15 2HD1 LEU 15 2.838 7.652 4.413 123 HD13 LEU 15 3HD1 LEU 15 2.714 9.303 5.023 124 HD21 LEU 15 3HD2 LEU 15 0.819 10.371 2.865 125 HD22 LEU 15 1HD2 LEU 15 0.813 10.642 4.617 126 HD23 LEU 15 2HD2 LEU 15 -0.633 9.980 3.823 127 H ARG 16 H ARG 16 3.165 7.719 0.421 128 HA ARG 16 HA ARG 16 4.193 10.271 1.292 129 HB2 ARG 16 2HB ARG 16 6.293 9.233 1.271 130 HB3 ARG 16 1HB ARG 16 5.215 7.832 1.167 131 HG2 ARG 16 2HG ARG 16 5.536 7.556 -1.125 132 HG3 ARG 16 1HG ARG 16 6.423 9.074 -1.261 133 HD2 ARG 16 2HD ARG 16 8.255 8.235 -0.088 134 HD3 ARG 16 1HD ARG 16 7.333 6.862 0.533 135 HE ARG 16 HE ARG 16 7.238 6.166 -1.898 136 HH11 ARG 16 1HH1 ARG 16 10.025 8.126 -0.862 137 HH12 ARG 16 2HH1 ARG 16 11.150 7.077 -1.622 138 HH21 ARG 16 2HH2 ARG 16 10.487 5.289 -2.836 139 HH22 ARG 16 1HH2 ARG 16 8.805 4.857 -2.919 140 H GLN 17 H GLN 17 3.031 8.673 -1.467 141 HA GLN 17 HA GLN 17 4.023 10.756 -3.174 142 HB2 GLN 17 2HB GLN 17 2.624 8.183 -3.725 143 HB3 GLN 17 1HB GLN 17 2.576 9.457 -4.941 144 HG2 GLN 17 2HG GLN 17 4.574 8.597 -5.657 145 HG3 GLN 17 1HG GLN 17 5.126 9.489 -4.230 146 HE21 GLN 17 2HE2 GLN 17 4.845 5.634 -3.322 147 HE22 GLN 17 1HE2 GLN 17 3.423 6.443 -3.919 148 H ASN 18 H ASN 18 1.240 10.067 -1.376 149 HA ASN 18 HA ASN 18 -0.348 12.084 -2.712 150 HB2 ASN 18 2HB ASN 18 -0.654 10.945 0.079 151 HB3 ASN 18 1HB ASN 18 -1.882 11.813 -0.835 152 HD21 ASN 18 2HD2 ASN 18 -2.129 8.061 -0.967 153 HD22 ASN 18 1HD2 ASN 18 -1.765 9.152 0.336 154 H GLY 19 H GLY 19 1.658 11.752 0.184 155 HA2 GLY 19 2HA GLY 19 3.003 13.946 0.313 156 HA3 GLY 19 1HA GLY 19 1.416 14.534 0.814 157 H LYS 20 H LYS 20 4.051 12.208 1.632 158 HA LYS 20 HA LYS 20 3.507 11.125 3.933 159 HB2 LYS 20 2HB LYS 20 5.810 11.463 4.515 160 HB3 LYS 20 1HB LYS 20 5.709 11.280 2.766 161 HG2 LYS 20 2HG LYS 20 5.520 13.987 3.849 162 HG3 LYS 20 1HG LYS 20 7.119 13.230 3.938 163 HD2 LYS 20 2HD LYS 20 7.094 13.059 1.499 164 HD3 LYS 20 1HD LYS 20 5.451 13.720 1.462 165 HE2 LYS 20 2HE LYS 20 7.329 15.396 1.021 166 HE3 LYS 20 1HE LYS 20 6.166 15.834 2.270 167 HZ1 LYS 20 3HZ LYS 20 8.841 14.599 2.855 168 HZ2 LYS 20 1HZ LYS 20 7.716 15.137 3.943 169 HZ3 LYS 20 2HZ LYS 20 8.467 16.272 3.077 170 H SER 21 H SER 21 3.693 11.837 6.268 171 HA SER 21 HA SER 21 3.538 14.510 7.030 172 HB2 SER 21 2HB SER 21 1.565 14.548 5.479 173 HB3 SER 21 1HB SER 21 0.796 13.314 6.465 174 HG SER 21 HG SER 21 1.062 16.007 6.834 175 H ILE 22 H ILE 22 1.440 14.291 8.858 176 HA ILE 22 HA ILE 22 2.692 12.640 10.866 177 HB ILE 22 HB ILE 22 1.060 13.658 12.427 178 HG12 ILE 22 2HG1 ILE 22 0.128 15.232 10.000 179 HG13 ILE 22 1HG1 ILE 22 -0.795 13.964 10.795 180 HG21 ILE 22 1HG2 ILE 22 3.217 14.717 12.074 181 HG22 ILE 22 2HG2 ILE 22 1.975 15.945 12.325 182 HG23 ILE 22 3HG2 ILE 22 2.574 15.617 10.700 183 HD11 ILE 22 3HD1 ILE 22 -0.905 15.324 12.823 184 HD12 ILE 22 1HD1 ILE 22 -1.579 16.174 11.434 185 HD13 ILE 22 2HD1 ILE 22 0.031 16.588 12.025 186 H ALA 23 H ALA 23 1.019 11.645 12.440 187 HA ALA 23 HA ALA 23 0.161 9.283 11.329 188 HB1 ALA 23 1HB ALA 23 -0.726 10.519 13.898 189 HB2 ALA 23 2HB ALA 23 0.764 9.597 13.666 190 HB3 ALA 23 3HB ALA 23 -0.809 8.802 13.497 191 H LEU 24 H LEU 24 -1.587 12.251 11.631 192 HA LEU 24 HA LEU 24 -4.209 11.090 11.639 193 HB2 LEU 24 2HB LEU 24 -3.639 13.309 12.664 194 HB3 LEU 24 1HB LEU 24 -3.352 13.944 11.068 195 HG LEU 24 HG LEU 24 -5.509 14.654 12.130 196 HD11 LEU 24 1HD1 LEU 24 -5.291 14.823 9.732 197 HD12 LEU 24 2HD1 LEU 24 -6.936 14.365 10.171 198 HD13 LEU 24 3HD1 LEU 24 -5.820 13.151 9.545 199 HD21 LEU 24 3HD2 LEU 24 -6.300 11.776 11.711 200 HD22 LEU 24 1HD2 LEU 24 -7.383 13.083 12.188 201 HD23 LEU 24 2HD2 LEU 24 -6.079 12.581 13.265 202 H THR 25 H THR 25 -2.085 12.597 9.254 203 HA THR 25 HA THR 25 -3.885 12.610 7.131 204 HB THR 25 HB THR 25 -0.914 12.376 7.030 205 HG1 THR 25 HG1 THR 25 -0.827 14.475 7.568 206 HG21 THR 25 3HG2 THR 25 -1.169 13.450 4.856 207 HG22 THR 25 1HG2 THR 25 -2.917 13.667 5.159 208 HG23 THR 25 2HG2 THR 25 -2.269 12.057 4.999 209 H ILE 26 H ILE 26 -1.256 10.414 7.991 210 HA ILE 26 HA ILE 26 -1.381 8.679 5.869 211 HB ILE 26 HB ILE 26 -0.849 7.758 8.720 212 HG12 ILE 26 2HG1 ILE 26 1.073 8.925 6.661 213 HG13 ILE 26 1HG1 ILE 26 0.538 9.742 8.118 214 HG21 ILE 26 1HG2 ILE 26 -1.186 5.976 7.195 215 HG22 ILE 26 2HG2 ILE 26 0.548 6.059 7.564 216 HG23 ILE 26 3HG2 ILE 26 -0.083 6.683 6.024 217 HD11 ILE 26 3HD1 ILE 26 1.662 8.057 9.478 218 HD12 ILE 26 1HD1 ILE 26 2.780 8.847 8.365 219 HD13 ILE 26 2HD1 ILE 26 2.184 7.224 8.013 220 H ALA 27 H ALA 27 -3.283 8.631 8.825 221 HA ALA 27 HA ALA 27 -4.718 6.282 8.403 222 HB1 ALA 27 1HB ALA 27 -5.610 8.813 9.781 223 HB2 ALA 27 2HB ALA 27 -4.669 7.511 10.508 224 HB3 ALA 27 3HB ALA 27 -6.329 7.210 9.984 225 H LYS 28 H LYS 28 -5.423 9.657 7.364 226 HA LYS 28 HA LYS 28 -7.881 9.168 6.202 227 HB2 LYS 28 2HB LYS 28 -6.251 11.276 6.841 228 HB3 LYS 28 1HB LYS 28 -6.191 11.266 5.092 229 HG2 LYS 28 2HG LYS 28 -8.595 11.260 6.763 230 HG3 LYS 28 1HG LYS 28 -7.889 12.731 6.091 231 HD2 LYS 28 2HD LYS 28 -9.000 10.410 4.440 232 HD3 LYS 28 1HD LYS 28 -9.911 11.868 4.790 233 HE2 LYS 28 2HE LYS 28 -9.086 12.113 2.560 234 HE3 LYS 28 1HE LYS 28 -8.086 13.154 3.557 235 HZ1 LYS 28 3HZ LYS 28 -7.226 10.415 2.768 236 HZ2 LYS 28 1HZ LYS 28 -6.262 11.621 3.374 237 HZ3 LYS 28 2HZ LYS 28 -6.809 11.763 1.851 238 H GLU 29 H GLU 29 -4.590 8.804 5.061 239 HA GLU 29 HA GLU 29 -5.428 8.779 2.303 240 HB2 GLU 29 2HB GLU 29 -2.707 8.062 3.364 241 HB3 GLU 29 1HB GLU 29 -3.119 8.538 1.725 242 HG2 GLU 29 2HG GLU 29 -2.859 10.203 4.187 243 HG3 GLU 29 1HG GLU 29 -2.120 10.425 2.607 244 H ILE 30 H ILE 30 -4.534 6.501 4.753 245 HA ILE 30 HA ILE 30 -4.642 4.397 2.722 246 HB ILE 30 HB ILE 30 -3.705 2.852 4.370 247 HG12 ILE 30 2HG1 ILE 30 -3.533 5.272 6.180 248 HG13 ILE 30 1HG1 ILE 30 -4.576 3.888 6.447 249 HG21 ILE 30 1HG2 ILE 30 -1.448 3.898 4.487 250 HG22 ILE 30 2HG2 ILE 30 -2.175 5.420 3.972 251 HG23 ILE 30 3HG2 ILE 30 -2.204 4.023 2.899 252 HD11 ILE 30 3HD1 ILE 30 -1.561 3.898 6.475 253 HD12 ILE 30 1HD1 ILE 30 -2.574 2.472 6.693 254 HD13 ILE 30 2HD1 ILE 30 -2.630 3.776 7.876 255 H GLY 31 H GLY 31 -6.634 5.782 4.965 256 HA2 GLY 31 2HA GLY 31 -8.858 5.326 5.362 257 HA3 GLY 31 1HA GLY 31 -8.696 3.870 4.391 258 H LEU 32 H LEU 32 -6.497 4.396 6.969 259 HA LEU 32 HA LEU 32 -7.872 2.265 8.455 260 HB2 LEU 32 2HB LEU 32 -4.911 2.882 8.616 261 HB3 LEU 32 1HB LEU 32 -5.744 1.535 9.352 262 HG LEU 32 HG LEU 32 -4.993 1.936 6.476 263 HD11 LEU 32 1HD1 LEU 32 -3.962 -0.232 6.698 264 HD12 LEU 32 2HD1 LEU 32 -4.506 -0.324 8.370 265 HD13 LEU 32 3HD1 LEU 32 -3.345 0.912 7.893 266 HD21 LEU 32 3HD2 LEU 32 -6.251 -0.075 5.888 267 HD22 LEU 32 1HD2 LEU 32 -7.266 1.272 6.395 268 HD23 LEU 32 2HD2 LEU 32 -6.986 -0.082 7.508 269 H ASP 33 H ASP 33 -6.899 2.383 10.900 270 HA ASP 33 HA ASP 33 -7.901 4.952 11.750 271 HB2 ASP 33 2HB ASP 33 -8.791 2.917 12.861 272 HB3 ASP 33 1HB ASP 33 -7.170 2.520 13.419 273 H LYS 34 H LYS 34 -6.874 5.979 13.548 274 HA LYS 34 HA LYS 34 -4.285 6.914 12.957 275 HB2 LYS 34 2HB LYS 34 -5.769 7.215 15.582 276 HB3 LYS 34 1HB LYS 34 -4.389 8.140 15.067 277 HG2 LYS 34 2HG LYS 34 -6.185 9.578 14.746 278 HG3 LYS 34 1HG LYS 34 -5.823 8.960 13.143 279 HD2 LYS 34 2HD LYS 34 -8.212 9.062 13.405 280 HD3 LYS 34 1HD LYS 34 -7.766 7.370 13.384 281 HE2 LYS 34 2HE LYS 34 -8.195 8.902 15.963 282 HE3 LYS 34 1HE LYS 34 -9.526 8.158 15.100 283 HZ1 LYS 34 3HZ LYS 34 -8.582 6.017 15.435 284 HZ2 LYS 34 1HZ LYS 34 -8.677 6.741 16.919 285 HZ3 LYS 34 2HZ LYS 34 -7.187 6.553 16.131 286 H SER 35 H SER 35 -5.410 4.271 15.010 287 HA SER 35 HA SER 35 -3.032 4.287 16.651 288 HB2 SER 35 2HB SER 35 -5.268 3.663 17.591 289 HB3 SER 35 1HB SER 35 -5.322 2.289 16.491 290 HG SER 35 HG SER 35 -3.117 2.570 18.207 291 H THR 36 H THR 36 -4.461 2.686 13.916 292 HA THR 36 HA THR 36 -2.722 0.607 13.566 293 HB THR 36 HB THR 36 -3.984 2.172 11.355 294 HG1 THR 36 HG1 THR 36 -5.432 0.569 13.246 295 HG21 THR 36 3HG2 THR 36 -2.891 0.009 11.056 296 HG22 THR 36 1HG2 THR 36 -4.650 -0.025 10.718 297 HG23 THR 36 2HG2 THR 36 -4.037 -0.615 12.282 298 H VAL 37 H VAL 37 -2.840 3.972 12.253 299 HA VAL 37 HA VAL 37 -0.440 3.956 10.894 300 HB VAL 37 HB VAL 37 -1.890 6.238 12.240 301 HG11 VAL 37 1HG1 VAL 37 -0.680 7.660 10.696 302 HG12 VAL 37 2HG1 VAL 37 0.241 6.269 10.108 303 HG13 VAL 37 3HG1 VAL 37 0.427 6.819 11.778 304 HG21 VAL 37 3HG2 VAL 37 -3.234 5.071 10.604 305 HG22 VAL 37 1HG2 VAL 37 -1.933 5.203 9.421 306 HG23 VAL 37 2HG2 VAL 37 -2.751 6.655 9.992 307 H ASN 38 H ASN 38 -1.099 4.699 14.298 308 HA ASN 38 HA ASN 38 1.471 5.527 15.006 309 HB2 ASN 38 2HB ASN 38 -0.712 4.195 16.583 310 HB3 ASN 38 1HB ASN 38 0.868 4.424 17.307 311 HD21 ASN 38 2HD2 ASN 38 -0.799 7.962 16.264 312 HD22 ASN 38 1HD2 ASN 38 -0.545 6.732 15.066 313 H ARG 39 H ARG 39 0.133 2.278 14.797 314 HA ARG 39 HA ARG 39 2.365 0.859 15.682 315 HB2 ARG 39 2HB ARG 39 0.492 -0.490 15.440 316 HB3 ARG 39 1HB ARG 39 0.016 0.269 13.923 317 HG2 ARG 39 2HG ARG 39 2.003 -0.790 12.891 318 HG3 ARG 39 1HG ARG 39 2.198 -1.739 14.366 319 HD2 ARG 39 2HD ARG 39 0.358 -3.027 13.922 320 HD3 ARG 39 1HD ARG 39 -0.454 -1.744 13.016 321 HE ARG 39 HE ARG 39 1.448 -2.183 11.339 322 HH11 ARG 39 1HH1 ARG 39 0.095 -4.906 13.248 323 HH12 ARG 39 2HH1 ARG 39 0.276 -5.944 11.879 324 HH21 ARG 39 2HH2 ARG 39 0.951 -5.296 9.945 325 HH22 ARG 39 1HH2 ARG 39 1.466 -3.677 9.598 326 H HIS 40 H HIS 40 1.406 1.907 12.429 327 HA HIS 40 HA HIS 40 3.412 0.617 10.983 328 HB2 HIS 40 2HB HIS 40 1.894 3.127 10.349 329 HB3 HIS 40 1HB HIS 40 2.851 2.211 9.179 330 HD1 HIS 40 HD1 HIS 40 1.742 -0.650 9.834 331 HD2 HIS 40 HD2 HIS 40 -0.629 2.736 9.476 332 HE1 HIS 40 HE1 HIS 40 -0.605 -1.466 9.448 333 H LEU 41 H LEU 41 3.291 3.794 12.415 334 HA LEU 41 HA LEU 41 5.701 4.636 11.148 335 HB2 LEU 41 2HB LEU 41 5.544 6.594 12.592 336 HB3 LEU 41 1HB LEU 41 4.137 6.377 11.555 337 HG LEU 41 HG LEU 41 3.174 5.297 13.778 338 HD11 LEU 41 1HD1 LEU 41 5.176 5.400 15.067 339 HD12 LEU 41 2HD1 LEU 41 3.920 6.404 15.796 340 HD13 LEU 41 3HD1 LEU 41 5.246 7.156 14.897 341 HD21 LEU 41 3HD2 LEU 41 3.426 8.254 13.318 342 HD22 LEU 41 1HD2 LEU 41 2.259 7.469 14.400 343 HD23 LEU 41 2HD2 LEU 41 2.209 7.143 12.666 344 H TYR 42 H TYR 42 4.865 3.161 14.190 345 HA TYR 42 HA TYR 42 7.189 3.787 15.502 346 HB2 TYR 42 2HB TYR 42 4.844 2.167 15.727 347 HB3 TYR 42 1HB TYR 42 6.183 1.496 16.567 348 HD1 TYR 42 HD1 TYR 42 3.448 2.657 17.477 349 HD2 TYR 42 HD2 TYR 42 7.340 4.285 17.379 350 HE1 TYR 42 HE1 TYR 42 2.820 4.220 19.302 351 HE2 TYR 42 HE2 TYR 42 6.757 5.860 19.186 352 HH TYR 42 HH TYR 42 4.674 6.902 20.119 353 H ASN 43 H ASN 43 6.010 1.161 13.578 354 HA ASN 43 HA ASN 43 8.140 -0.658 13.992 355 HB2 ASN 43 2HB ASN 43 6.242 -0.408 11.652 356 HB3 ASN 43 1HB ASN 43 7.344 -1.757 11.899 357 HD21 ASN 43 2HD2 ASN 43 3.919 -2.322 13.299 358 HD22 ASN 43 1HD2 ASN 43 4.368 -1.648 11.781 359 H LEU 44 H LEU 44 7.459 1.658 11.453 360 HA LEU 44 HA LEU 44 9.828 0.994 10.043 361 HB2 LEU 44 2HB LEU 44 8.130 3.454 9.740 362 HB3 LEU 44 1HB LEU 44 9.317 2.868 8.615 363 HG LEU 44 HG LEU 44 6.747 1.459 9.295 364 HD11 LEU 44 1HD1 LEU 44 6.140 1.968 6.978 365 HD12 LEU 44 2HD1 LEU 44 7.641 2.877 6.794 366 HD13 LEU 44 3HD1 LEU 44 6.409 3.431 7.928 367 HD21 LEU 44 3HD2 LEU 44 8.455 -0.186 8.822 368 HD22 LEU 44 1HD2 LEU 44 8.966 0.714 7.390 369 HD23 LEU 44 2HD2 LEU 44 7.387 -0.050 7.423 370 H GLN 45 H GLN 45 9.043 3.363 12.509 371 HA GLN 45 HA GLN 45 11.295 4.996 12.190 372 HB2 GLN 45 2HB GLN 45 9.407 5.583 13.602 373 HB3 GLN 45 1HB GLN 45 9.871 4.342 14.748 374 HG2 GLN 45 2HG GLN 45 11.798 5.433 15.420 375 HG3 GLN 45 1HG GLN 45 11.849 6.440 13.977 376 HE21 GLN 45 2HE2 GLN 45 9.866 8.918 15.237 377 HE22 GLN 45 1HE2 GLN 45 10.650 8.222 13.879 378 H ARG 46 H ARG 46 10.768 1.970 13.772 379 HA ARG 46 HA ARG 46 13.135 1.796 15.349 380 HB2 ARG 46 2HB ARG 46 11.752 -0.549 14.025 381 HB3 ARG 46 1HB ARG 46 12.896 -0.643 15.339 382 HG2 ARG 46 2HG ARG 46 10.061 0.360 15.409 383 HG3 ARG 46 1HG ARG 46 10.726 -1.065 16.200 384 HD2 ARG 46 2HD ARG 46 10.742 0.318 18.000 385 HD3 ARG 46 1HD ARG 46 12.274 0.829 17.278 386 HE ARG 46 HE ARG 46 10.016 2.226 16.275 387 HH11 ARG 46 1HH1 ARG 46 12.475 2.227 18.828 388 HH12 ARG 46 2HH1 ARG 46 12.263 3.858 19.267 389 HH21 ARG 46 2HH2 ARG 46 10.618 5.206 18.093 390 HH22 ARG 46 1HH2 ARG 46 9.686 4.494 16.902 391 H SER 47 H SER 47 12.491 1.124 12.037 392 HA SER 47 HA SER 47 15.156 0.034 11.650 393 HB2 SER 47 2HB SER 47 12.827 0.176 9.746 394 HB3 SER 47 1HB SER 47 14.313 -0.754 9.536 395 HG SER 47 HG SER 47 13.566 -1.609 11.752 396 H ASN 48 H ASN 48 14.020 3.200 11.758 397 HA ASN 48 HA ASN 48 14.473 5.077 10.780 398 HB2 ASN 48 2HB ASN 48 16.843 3.489 9.852 399 HB3 ASN 48 1HB ASN 48 16.701 5.205 9.459 400 HD21 ASN 48 2HD2 ASN 48 17.812 3.955 13.134 401 HD22 ASN 48 1HD2 ASN 48 17.301 2.845 11.904 402 H GLN 49 H GLN 49 12.706 3.255 9.479 403 HA GLN 49 HA GLN 49 13.180 3.730 6.647 404 HB2 GLN 49 2HB GLN 49 12.508 1.449 7.168 405 HB3 GLN 49 1HB GLN 49 11.169 2.005 8.149 406 HG2 GLN 49 2HG GLN 49 10.428 1.094 6.000 407 HG3 GLN 49 1HG GLN 49 10.011 2.799 6.156 408 HE21 GLN 49 2HE2 GLN 49 12.011 3.865 3.514 409 HE22 GLN 49 1HE2 GLN 49 11.155 4.270 4.961 410 H VAL 50 H VAL 50 11.529 4.790 9.390 411 HA VAL 50 HA VAL 50 10.679 7.045 7.925 412 HB VAL 50 HB VAL 50 8.803 5.223 7.986 413 HG11 VAL 50 1HG1 VAL 50 7.336 5.344 9.989 414 HG12 VAL 50 2HG1 VAL 50 8.384 6.605 10.635 415 HG13 VAL 50 3HG1 VAL 50 9.028 4.985 10.473 416 HG21 VAL 50 3HG2 VAL 50 8.476 7.418 7.059 417 HG22 VAL 50 1HG2 VAL 50 8.289 8.114 8.668 418 HG23 VAL 50 2HG2 VAL 50 7.071 7.003 8.041 419 H PHE 51 H PHE 51 10.418 8.567 9.245 420 HA PHE 51 HA PHE 51 10.373 8.564 12.023 421 HB2 PHE 51 2HB PHE 51 12.692 9.754 12.372 422 HB3 PHE 51 1HB PHE 51 12.653 8.004 12.177 423 HD1 PHE 51 HD1 PHE 51 13.269 11.125 10.207 424 HD2 PHE 51 HD2 PHE 51 13.910 6.967 10.691 425 HE1 PHE 51 HE1 PHE 51 14.941 11.172 8.387 426 HE2 PHE 51 HE2 PHE 51 15.539 6.952 8.930 427 HZ PHE 51 HZ PHE 51 16.092 9.084 7.727 428 H ASN 52 H ASN 52 10.664 10.928 12.877 429 HA ASN 52 HA ASN 52 9.368 12.522 10.843 430 HB2 ASN 52 2HB ASN 52 8.659 13.955 12.758 431 HB3 ASN 52 1HB ASN 52 7.878 12.405 12.513 432 HD21 ASN 52 2HD2 ASN 52 8.930 13.182 16.105 433 HD22 ASN 52 1HD2 ASN 52 8.211 14.166 14.860 434 H SER 53 H SER 53 10.156 14.168 10.033 435 HA SER 53 HA SER 53 12.278 15.709 11.307 436 HB2 SER 53 2HB SER 53 13.291 13.488 10.638 437 HB3 SER 53 1HB SER 53 12.997 14.003 8.972 438 HG SER 53 HG SER 53 15.020 14.689 10.655 439 H ASN 54 H ASN 54 13.602 16.382 8.955 440 HA ASN 54 HA ASN 54 13.855 17.620 7.113 441 HB2 ASN 54 2HB ASN 54 13.098 15.639 6.052 442 HB3 ASN 54 1HB ASN 54 11.417 16.075 6.287 443 HD21 ASN 54 2HD2 ASN 54 11.252 18.019 3.385 444 HD22 ASN 54 1HD2 ASN 54 10.401 17.453 4.758 445 H GLU 55 H GLU 55 10.869 18.378 8.690 446 HA GLU 55 HA GLU 55 10.997 20.939 7.433 447 HB2 GLU 55 2HB GLU 55 8.498 20.697 6.722 448 HB3 GLU 55 1HB GLU 55 9.761 20.040 5.694 449 HG2 GLU 55 2HG GLU 55 9.376 17.842 6.852 450 HG3 GLU 55 1HG GLU 55 7.892 18.520 7.522 451 H LYS 56 H LYS 56 8.932 22.229 8.124 452 HA LYS 56 HA LYS 56 9.312 22.589 10.880 453 HB2 LYS 56 2HB LYS 56 7.231 23.825 9.068 454 HB3 LYS 56 1HB LYS 56 7.337 24.207 10.779 455 HG2 LYS 56 2HG LYS 56 9.640 25.002 10.440 456 HG3 LYS 56 1HG LYS 56 9.492 24.649 8.718 457 HD2 LYS 56 2HD LYS 56 7.711 26.270 8.492 458 HD3 LYS 56 1HD LYS 56 7.694 26.546 10.232 459 HE2 LYS 56 2HE LYS 56 8.865 28.353 9.089 460 HE3 LYS 56 1HE LYS 56 9.975 27.446 10.108 461 HZ1 LYS 56 3HZ LYS 56 10.772 26.283 8.140 462 HZ2 LYS 56 1HZ LYS 56 10.949 27.956 7.968 463 HZ3 LYS 56 2HZ LYS 56 9.700 27.161 7.161 464 HA PRO 57 HA PRO 57 5.513 20.126 11.876 465 HB2 PRO 57 2HB PRO 57 4.421 18.776 9.561 466 HB3 PRO 57 1HB PRO 57 3.603 19.983 10.568 467 HG2 PRO 57 2HG PRO 57 4.286 20.405 7.963 468 HG3 PRO 57 1HG PRO 57 4.067 21.692 9.165 469 HD2 PRO 57 2HD PRO 57 6.597 20.475 8.163 470 HD3 PRO 57 1HD PRO 57 6.227 22.169 8.549 471 HA PRO 58 HA PRO 58 8.885 17.031 11.612 472 HB2 PRO 58 2HB PRO 58 7.503 15.364 13.485 473 HB3 PRO 58 1HB PRO 58 8.860 16.458 13.840 474 HG2 PRO 58 2HG PRO 58 5.984 16.829 14.261 475 HG3 PRO 58 1HG PRO 58 7.358 17.587 15.084 476 HD2 PRO 58 2HD PRO 58 5.795 18.918 13.373 477 HD3 PRO 58 1HD PRO 58 7.524 19.281 13.549 478 H VAL 59 H VAL 59 8.804 15.896 9.723 479 HA VAL 59 HA VAL 59 6.253 14.726 9.006 480 HB VAL 59 HB VAL 59 7.496 16.179 7.447 481 HG11 VAL 59 1HG1 VAL 59 9.290 15.268 6.058 482 HG12 VAL 59 2HG1 VAL 59 9.392 13.884 7.141 483 HG13 VAL 59 3HG1 VAL 59 9.766 15.499 7.744 484 HG21 VAL 59 3HG2 VAL 59 6.834 13.396 6.549 485 HG22 VAL 59 1HG2 VAL 59 7.089 14.738 5.457 486 HG23 VAL 59 2HG2 VAL 59 5.737 14.782 6.594 487 H TRP 60 H TRP 60 5.767 12.736 9.148 488 HA TRP 60 HA TRP 60 7.900 10.858 9.474 489 HB2 TRP 60 2HB TRP 60 4.900 10.418 9.248 490 HB3 TRP 60 1HB TRP 60 6.087 9.171 9.642 491 HD1 TRP 60 HD1 TRP 60 4.727 12.404 11.002 492 HE1 TRP 60 HE1 TRP 60 4.910 12.394 13.615 493 HE3 TRP 60 HE3 TRP 60 7.248 8.073 11.542 494 HZ2 TRP 60 HZ2 TRP 60 6.029 10.709 15.593 495 HZ3 TRP 60 HZ3 TRP 60 7.871 7.309 13.794 496 HH2 TRP 60 HH2 TRP 60 7.275 8.601 15.777 497 H ASP 61 H ASP 61 8.955 10.755 7.876 498 HA ASP 61 HA ASP 61 7.928 10.159 5.236 499 HB2 ASP 61 2HB ASP 61 8.206 12.720 5.520 500 HB3 ASP 61 1HB ASP 61 9.911 12.385 5.704 501 H LEU 62 H LEU 62 9.855 10.059 3.998 502 HA LEU 62 HA LEU 62 12.096 8.825 5.382 503 HB2 LEU 62 2HB LEU 62 11.923 6.756 4.010 504 HB3 LEU 62 1HB LEU 62 10.604 7.169 5.112 505 HG LEU 62 HG LEU 62 9.157 7.811 3.274 506 HD11 LEU 62 1HD1 LEU 62 10.750 8.592 1.667 507 HD12 LEU 62 2HD1 LEU 62 9.748 7.318 0.960 508 HD13 LEU 62 3HD1 LEU 62 11.394 6.965 1.475 509 HD21 LEU 62 3HD2 LEU 62 10.352 5.092 2.854 510 HD22 LEU 62 1HD2 LEU 62 8.759 5.619 2.321 511 HD23 LEU 62 2HD2 LEU 62 9.129 5.505 4.049 512 H MET 63 H MET 63 13.431 7.804 3.053 513 HA MET 63 HA MET 63 13.768 10.242 1.454 514 HB2 MET 63 2HB MET 63 15.684 9.832 3.037 515 HB3 MET 63 1HB MET 63 15.890 8.266 2.259 516 HG2 MET 63 2HG MET 63 17.534 9.872 1.448 517 HG3 MET 63 1HG MET 63 16.466 9.325 0.161 518 HE1 MET 63 3HE MET 63 16.069 13.477 2.180 519 HE2 MET 63 1HE MET 63 17.246 12.264 2.679 520 HE3 MET 63 2HE MET 63 15.522 11.989 2.948 521 H GLU 64 H GLU 64 14.867 6.873 1.454 522 HA GLU 64 HA GLU 64 14.868 6.502 -1.310 523 HB2 GLU 64 2HB GLU 64 14.825 4.595 1.007 524 HB3 GLU 64 1HB GLU 64 15.141 4.079 -0.651 525 HG2 GLU 64 2HG GLU 64 17.213 4.189 0.560 526 HG3 GLU 64 1HG GLU 64 17.195 5.539 -0.568 Start of MODEL 3 1 HA MET 1 HA MET 1 16.050 -10.602 7.302 2 HB2 MET 1 2HB MET 1 17.542 -9.446 5.654 3 HB3 MET 1 1HB MET 1 16.463 -9.941 4.362 4 HG2 MET 1 2HG MET 1 14.685 -8.558 5.292 5 HG3 MET 1 1HG MET 1 15.726 -8.105 6.637 6 HE1 MET 1 2HE MET 1 16.444 -6.808 2.251 7 HE2 MET 1 3HE MET 1 15.050 -7.751 2.775 8 HE3 MET 1 1HE MET 1 16.659 -8.476 2.778 9 H SER 2 H SER 2 13.799 -10.229 7.343 10 HA SER 2 HA SER 2 12.278 -11.920 5.511 11 HB2 SER 2 2HB SER 2 11.564 -10.967 8.295 12 HB3 SER 2 1HB SER 2 10.723 -12.189 7.334 13 HG SER 2 HG SER 2 11.987 -13.412 8.563 14 H ALA 3 H ALA 3 10.262 -10.953 4.758 15 HA ALA 3 HA ALA 3 10.496 -8.089 4.563 16 HB1 ALA 3 1HB ALA 3 8.754 -8.228 2.859 17 HB2 ALA 3 2HB ALA 3 8.518 -9.938 3.218 18 HB3 ALA 3 3HB ALA 3 10.039 -9.386 2.517 19 H GLU 4 H GLU 4 10.088 -7.758 6.757 20 HA GLU 4 HA GLU 4 7.347 -8.052 7.671 21 HB2 GLU 4 2HB GLU 4 9.064 -8.624 9.277 22 HB3 GLU 4 1HB GLU 4 9.935 -7.147 8.961 23 HG2 GLU 4 2HG GLU 4 7.207 -7.050 10.230 24 HG3 GLU 4 1HG GLU 4 8.626 -7.441 11.196 25 H THR 5 H THR 5 9.743 -5.469 7.656 26 HA THR 5 HA THR 5 8.291 -3.240 8.096 27 HB THR 5 HB THR 5 10.723 -3.289 6.392 28 HG1 THR 5 HG1 THR 5 10.499 -4.381 9.049 29 HG21 THR 5 3HG2 THR 5 9.961 -1.915 8.982 30 HG22 THR 5 1HG2 THR 5 10.022 -1.189 7.375 31 HG23 THR 5 2HG2 THR 5 11.511 -1.725 8.159 32 H GLN 6 H GLN 6 7.861 -5.054 5.406 33 HA GLN 6 HA GLN 6 8.127 -3.128 3.273 34 HB2 GLN 6 2HB GLN 6 8.445 -5.594 2.942 35 HB3 GLN 6 1HB GLN 6 6.714 -5.792 3.183 36 HG2 GLN 6 2HG GLN 6 6.429 -4.132 1.264 37 HG3 GLN 6 1HG GLN 6 8.134 -4.405 0.934 38 HE21 GLN 6 2HE2 GLN 6 7.652 -7.566 -0.466 39 HE22 GLN 6 1HE2 GLN 6 8.783 -6.442 0.185 40 H MET 7 H MET 7 5.543 -4.332 5.350 41 HA MET 7 HA MET 7 3.437 -3.492 3.558 42 HB2 MET 7 2HB MET 7 3.304 -4.311 6.462 43 HB3 MET 7 1HB MET 7 1.917 -4.092 5.406 44 HG2 MET 7 2HG MET 7 2.687 -5.939 4.009 45 HG3 MET 7 1HG MET 7 4.085 -6.150 5.058 46 HE1 MET 7 3HE MET 7 2.820 -5.678 7.968 47 HE2 MET 7 1HE MET 7 3.960 -6.963 7.558 48 HE3 MET 7 2HE MET 7 2.460 -7.348 8.396 49 H GLU 8 H GLU 8 4.719 -2.493 6.551 50 HA GLU 8 HA GLU 8 3.257 -0.260 7.165 51 HB2 GLU 8 2HB GLU 8 6.179 -0.896 7.595 52 HB3 GLU 8 1HB GLU 8 5.308 0.378 8.426 53 HG2 GLU 8 2HG GLU 8 5.723 -1.642 9.794 54 HG3 GLU 8 1HG GLU 8 4.018 -1.258 9.644 55 H ARG 9 H ARG 9 6.189 -0.655 5.251 56 HA ARG 9 HA ARG 9 6.419 2.141 4.798 57 HB2 ARG 9 2HB ARG 9 8.404 0.643 4.770 58 HB3 ARG 9 1HB ARG 9 7.799 -0.121 3.315 59 HG2 ARG 9 2HG ARG 9 8.435 2.822 3.412 60 HG3 ARG 9 1HG ARG 9 9.669 1.611 3.075 61 HD2 ARG 9 2HD ARG 9 8.424 0.860 1.111 62 HD3 ARG 9 1HD ARG 9 7.109 1.939 1.606 63 HE ARG 9 HE ARG 9 8.083 3.548 0.405 64 HH11 ARG 9 1HH1 ARG 9 10.853 1.559 1.504 65 HH12 ARG 9 2HH1 ARG 9 11.959 2.566 0.685 66 HH21 ARG 9 2HH2 ARG 9 11.176 4.344 -0.762 67 HH22 ARG 9 1HH2 ARG 9 9.500 4.628 -0.729 68 H LYS 10 H LYS 10 4.877 -0.453 3.055 69 HA LYS 10 HA LYS 10 4.573 0.991 0.631 70 HB2 LYS 10 2HB LYS 10 3.066 -1.398 1.671 71 HB3 LYS 10 1HB LYS 10 2.720 -0.674 0.107 72 HG2 LYS 10 2HG LYS 10 5.012 -1.128 -0.616 73 HG3 LYS 10 1HG LYS 10 5.371 -1.827 0.959 74 HD2 LYS 10 2HD LYS 10 3.346 -2.883 -1.031 75 HD3 LYS 10 1HD LYS 10 4.940 -3.566 -0.723 76 HE2 LYS 10 2HE LYS 10 4.236 -3.937 1.652 77 HE3 LYS 10 1HE LYS 10 2.610 -3.428 1.197 78 HZ1 LYS 10 3HZ LYS 10 2.750 -5.813 1.155 79 HZ2 LYS 10 1HZ LYS 10 4.116 -5.758 0.167 80 HZ3 LYS 10 2HZ LYS 10 2.617 -5.276 -0.451 81 H ILE 11 H ILE 11 2.585 0.924 3.569 82 HA ILE 11 HA ILE 11 0.433 2.190 2.208 83 HB ILE 11 HB ILE 11 -0.522 2.497 4.441 84 HG12 ILE 11 2HG1 ILE 11 2.108 1.330 5.353 85 HG13 ILE 11 1HG1 ILE 11 1.384 2.858 5.823 86 HG21 ILE 11 1HG2 ILE 11 -0.787 0.074 4.925 87 HG22 ILE 11 2HG2 ILE 11 0.616 -0.214 3.884 88 HG23 ILE 11 3HG2 ILE 11 -0.878 0.427 3.185 89 HD11 ILE 11 3HD1 ILE 11 1.268 1.235 7.594 90 HD12 ILE 11 1HD1 ILE 11 0.455 0.129 6.486 91 HD13 ILE 11 2HD1 ILE 11 -0.371 1.615 7.007 92 H ILE 12 H ILE 12 3.117 3.228 4.261 93 HA ILE 12 HA ILE 12 2.145 5.869 4.272 94 HB ILE 12 HB ILE 12 3.994 6.547 5.453 95 HG12 ILE 12 2HG1 ILE 12 6.149 4.727 5.164 96 HG13 ILE 12 1HG1 ILE 12 5.404 4.861 3.618 97 HG21 ILE 12 1HG2 ILE 12 2.923 4.876 6.765 98 HG22 ILE 12 2HG2 ILE 12 4.662 4.841 7.063 99 HG23 ILE 12 3HG2 ILE 12 3.918 3.614 6.040 100 HD11 ILE 12 3HD1 ILE 12 5.511 7.297 3.560 101 HD12 ILE 12 1HD1 ILE 12 7.129 6.626 3.777 102 HD13 ILE 12 2HD1 ILE 12 6.252 7.333 5.136 103 H ASP 13 H ASP 13 4.157 4.001 2.084 104 HA ASP 13 HA ASP 13 5.269 6.245 0.784 105 HB2 ASP 13 2HB ASP 13 6.057 3.765 0.654 106 HB3 ASP 13 1HB ASP 13 4.891 3.637 -0.663 107 H PHE 14 H PHE 14 2.342 4.401 0.390 108 HA PHE 14 HA PHE 14 1.360 5.417 -1.969 109 HB2 PHE 14 2HB PHE 14 0.178 3.650 -0.901 110 HB3 PHE 14 1HB PHE 14 0.063 4.534 0.609 111 HD1 PHE 14 HD1 PHE 14 -1.771 5.809 1.085 112 HD2 PHE 14 HD2 PHE 14 -1.165 4.471 -2.878 113 HE1 PHE 14 HE1 PHE 14 -4.041 6.605 0.504 114 HE2 PHE 14 HE2 PHE 14 -3.432 5.255 -3.505 115 HZ PHE 14 HZ PHE 14 -4.870 6.325 -1.807 116 H LEU 15 H LEU 15 0.718 6.668 1.355 117 HA LEU 15 HA LEU 15 -0.195 9.021 0.017 118 HB2 LEU 15 2HB LEU 15 -0.999 9.993 2.031 119 HB3 LEU 15 1HB LEU 15 -1.397 8.299 2.040 120 HG LEU 15 HG LEU 15 -0.923 8.917 4.232 121 HD11 LEU 15 1HD1 LEU 15 1.440 7.491 3.170 122 HD12 LEU 15 2HD1 LEU 15 -0.083 6.795 3.727 123 HD13 LEU 15 3HD1 LEU 15 1.004 7.597 4.872 124 HD21 LEU 15 3HD2 LEU 15 1.203 9.953 4.991 125 HD22 LEU 15 1HD2 LEU 15 0.246 10.998 3.934 126 HD23 LEU 15 2HD2 LEU 15 1.651 10.149 3.300 127 H ARG 16 H ARG 16 2.796 8.070 0.922 128 HA ARG 16 HA ARG 16 4.132 10.464 1.446 129 HB2 ARG 16 2HB ARG 16 5.324 8.408 1.623 130 HB3 ARG 16 1HB ARG 16 4.866 7.963 -0.019 131 HG2 ARG 16 2HG ARG 16 6.218 9.683 -0.898 132 HG3 ARG 16 1HG ARG 16 6.693 10.184 0.723 133 HD2 ARG 16 2HD ARG 16 7.663 7.894 1.054 134 HD3 ARG 16 1HD ARG 16 7.233 7.508 -0.605 135 HE ARG 16 HE ARG 16 8.950 9.803 -0.174 136 HH11 ARG 16 1HH1 ARG 16 8.740 6.384 -1.243 137 HH12 ARG 16 2HH1 ARG 16 10.382 6.367 -1.777 138 HH21 ARG 16 2HH2 ARG 16 11.750 8.174 -1.672 139 HH22 ARG 16 1HH2 ARG 16 11.226 9.652 -1.017 140 H GLN 17 H GLN 17 3.524 8.773 -1.533 141 HA GLN 17 HA GLN 17 4.501 10.749 -3.296 142 HB2 GLN 17 2HB GLN 17 2.399 8.672 -3.940 143 HB3 GLN 17 1HB GLN 17 3.433 9.506 -5.082 144 HG2 GLN 17 2HG GLN 17 4.255 7.430 -3.056 145 HG3 GLN 17 1HG GLN 17 4.194 7.244 -4.802 146 HE21 GLN 17 2HE2 GLN 17 7.670 7.839 -3.540 147 HE22 GLN 17 1HE2 GLN 17 6.407 6.776 -3.032 148 H ASN 18 H ASN 18 1.403 10.221 -1.796 149 HA ASN 18 HA ASN 18 0.032 12.218 -3.369 150 HB2 ASN 18 2HB ASN 18 -0.787 11.174 -0.636 151 HB3 ASN 18 1HB ASN 18 -1.821 11.974 -1.809 152 HD21 ASN 18 2HD2 ASN 18 -1.168 8.820 -3.849 153 HD22 ASN 18 1HD2 ASN 18 -0.507 10.415 -4.009 154 H GLY 19 H GLY 19 1.599 12.046 -0.308 155 HA2 GLY 19 2HA GLY 19 2.848 14.347 -0.053 156 HA3 GLY 19 1HA GLY 19 1.186 14.851 0.245 157 H LYS 20 H LYS 20 3.793 12.636 1.456 158 HA LYS 20 HA LYS 20 2.998 11.693 3.745 159 HB2 LYS 20 2HB LYS 20 5.329 12.437 4.630 160 HB3 LYS 20 1HB LYS 20 5.195 11.297 3.308 161 HG2 LYS 20 2HG LYS 20 6.977 12.942 2.922 162 HG3 LYS 20 1HG LYS 20 5.726 13.041 1.696 163 HD2 LYS 20 2HD LYS 20 4.896 15.071 2.586 164 HD3 LYS 20 1HD LYS 20 5.807 14.902 4.079 165 HE2 LYS 20 2HE LYS 20 7.058 15.231 1.348 166 HE3 LYS 20 1HE LYS 20 6.740 16.569 2.449 167 HZ1 LYS 20 3HZ LYS 20 8.247 15.765 3.982 168 HZ2 LYS 20 1HZ LYS 20 9.050 15.684 2.533 169 HZ3 LYS 20 2HZ LYS 20 8.487 14.246 3.214 170 H SER 21 H SER 21 3.131 12.308 6.073 171 HA SER 21 HA SER 21 2.776 14.996 6.837 172 HB2 SER 21 2HB SER 21 0.802 14.789 5.293 173 HB3 SER 21 1HB SER 21 0.200 13.467 6.283 174 HG SER 21 HG SER 21 0.113 16.164 6.652 175 H ILE 22 H ILE 22 0.695 14.441 8.671 176 HA ILE 22 HA ILE 22 2.175 12.881 10.612 177 HB ILE 22 HB ILE 22 0.432 13.570 12.239 178 HG12 ILE 22 2HG1 ILE 22 -0.728 15.135 9.908 179 HG13 ILE 22 1HG1 ILE 22 -1.466 13.721 10.646 180 HG21 ILE 22 1HG2 ILE 22 1.024 15.960 12.278 181 HG22 ILE 22 2HG2 ILE 22 1.649 15.817 10.635 182 HG23 ILE 22 3HG2 ILE 22 2.420 14.931 11.950 183 HD11 ILE 22 3HD1 ILE 22 -2.522 15.776 11.400 184 HD12 ILE 22 1HD1 ILE 22 -0.972 16.367 11.997 185 HD13 ILE 22 2HD1 ILE 22 -1.723 14.955 12.741 186 H ALA 23 H ALA 23 0.964 11.372 12.035 187 HA ALA 23 HA ALA 23 0.133 9.121 10.638 188 HB1 ALA 23 1HB ALA 23 -0.388 9.815 13.503 189 HB2 ALA 23 2HB ALA 23 1.111 9.115 12.882 190 HB3 ALA 23 3HB ALA 23 -0.395 8.191 12.814 191 H LEU 24 H LEU 24 -1.723 11.807 11.744 192 HA LEU 24 HA LEU 24 -4.250 10.465 11.922 193 HB2 LEU 24 2HB LEU 24 -3.620 12.589 13.151 194 HB3 LEU 24 1HB LEU 24 -3.662 13.431 11.627 195 HG LEU 24 HG LEU 24 -5.631 13.842 13.106 196 HD11 LEU 24 1HD1 LEU 24 -7.375 13.631 11.418 197 HD12 LEU 24 2HD1 LEU 24 -6.324 12.584 10.466 198 HD13 LEU 24 3HD1 LEU 24 -5.875 14.266 10.744 199 HD21 LEU 24 3HD2 LEU 24 -6.306 10.963 12.519 200 HD22 LEU 24 1HD2 LEU 24 -7.358 12.127 13.323 201 HD23 LEU 24 2HD2 LEU 24 -5.846 11.630 14.086 202 H THR 25 H THR 25 -2.424 12.212 9.521 203 HA THR 25 HA THR 25 -4.466 12.365 7.577 204 HB THR 25 HB THR 25 -1.475 12.378 7.254 205 HG1 THR 25 HG1 THR 25 -1.523 14.424 7.848 206 HG21 THR 25 3HG2 THR 25 -2.857 12.029 5.223 207 HG22 THR 25 1HG2 THR 25 -1.936 13.546 5.154 208 HG23 THR 25 2HG2 THR 25 -3.663 13.554 5.534 209 H ILE 26 H ILE 26 -1.630 10.244 8.012 210 HA ILE 26 HA ILE 26 -1.957 8.593 5.868 211 HB ILE 26 HB ILE 26 -1.265 7.493 8.615 212 HG12 ILE 26 2HG1 ILE 26 0.527 8.802 6.525 213 HG13 ILE 26 1HG1 ILE 26 0.111 9.512 8.073 214 HG21 ILE 26 1HG2 ILE 26 -0.613 6.633 5.820 215 HG22 ILE 26 2HG2 ILE 26 -1.760 5.885 6.912 216 HG23 ILE 26 3HG2 ILE 26 -0.022 5.838 7.296 217 HD11 ILE 26 3HD1 ILE 26 2.354 8.590 8.094 218 HD12 ILE 26 1HD1 ILE 26 1.723 7.004 7.649 219 HD13 ILE 26 2HD1 ILE 26 1.312 7.708 9.212 220 H ALA 27 H ALA 27 -3.617 8.361 8.949 221 HA ALA 27 HA ALA 27 -5.023 6.024 8.558 222 HB1 ALA 27 1HB ALA 27 -6.525 6.810 10.287 223 HB2 ALA 27 2HB ALA 27 -5.934 8.460 10.070 224 HB3 ALA 27 3HB ALA 27 -4.852 7.211 10.688 225 H LYS 28 H LYS 28 -5.881 9.323 7.480 226 HA LYS 28 HA LYS 28 -8.464 8.376 6.676 227 HB2 LYS 28 2HB LYS 28 -8.752 10.527 5.636 228 HB3 LYS 28 1HB LYS 28 -8.344 10.662 7.384 229 HG2 LYS 28 2HG LYS 28 -6.102 11.362 6.631 230 HG3 LYS 28 1HG LYS 28 -6.652 11.249 4.960 231 HD2 LYS 28 2HD LYS 28 -8.416 12.935 5.485 232 HD3 LYS 28 1HD LYS 28 -7.714 13.110 7.092 233 HE2 LYS 28 2HE LYS 28 -6.896 14.888 5.696 234 HE3 LYS 28 1HE LYS 28 -5.572 13.778 6.028 235 HZ1 LYS 28 3HZ LYS 28 -6.075 12.746 3.790 236 HZ2 LYS 28 1HZ LYS 28 -5.482 14.291 3.684 237 HZ3 LYS 28 2HZ LYS 28 -7.122 13.966 3.474 238 H GLU 29 H GLU 29 -5.561 9.139 5.198 239 HA GLU 29 HA GLU 29 -6.320 9.025 2.454 240 HB2 GLU 29 2HB GLU 29 -3.567 8.197 3.358 241 HB3 GLU 29 1HB GLU 29 -4.025 8.923 1.831 242 HG2 GLU 29 2HG GLU 29 -3.931 10.241 4.527 243 HG3 GLU 29 1HG GLU 29 -2.832 10.501 3.196 244 H ILE 30 H ILE 30 -5.053 6.508 4.571 245 HA ILE 30 HA ILE 30 -5.409 4.593 2.404 246 HB ILE 30 HB ILE 30 -4.426 2.897 3.906 247 HG12 ILE 30 2HG1 ILE 30 -4.041 5.216 5.810 248 HG13 ILE 30 1HG1 ILE 30 -5.087 3.834 6.083 249 HG21 ILE 30 1HG2 ILE 30 -2.990 4.100 2.368 250 HG22 ILE 30 2HG2 ILE 30 -2.120 3.812 3.877 251 HG23 ILE 30 3HG2 ILE 30 -2.788 5.407 3.535 252 HD11 ILE 30 3HD1 ILE 30 -3.061 3.592 7.361 253 HD12 ILE 30 1HD1 ILE 30 -2.078 3.823 5.912 254 HD13 ILE 30 2HD1 ILE 30 -3.076 2.386 6.072 255 H GLY 31 H GLY 31 -7.292 5.904 4.698 256 HA2 GLY 31 2HA GLY 31 -9.404 5.435 5.424 257 HA3 GLY 31 1HA GLY 31 -9.424 4.106 4.275 258 H LEU 32 H LEU 32 -7.028 4.338 6.767 259 HA LEU 32 HA LEU 32 -8.294 1.990 8.003 260 HB2 LEU 32 2HB LEU 32 -5.329 2.580 8.039 261 HB3 LEU 32 1HB LEU 32 -6.116 1.165 8.689 262 HG LEU 32 HG LEU 32 -5.589 1.873 5.825 263 HD11 LEU 32 1HD1 LEU 32 -4.972 -0.576 7.434 264 HD12 LEU 32 2HD1 LEU 32 -3.846 0.705 7.009 265 HD13 LEU 32 3HD1 LEU 32 -4.549 -0.306 5.744 266 HD21 LEU 32 3HD2 LEU 32 -7.872 1.209 5.859 267 HD22 LEU 32 1HD2 LEU 32 -7.505 -0.253 6.793 268 HD23 LEU 32 2HD2 LEU 32 -6.894 -0.066 5.135 269 H ASP 33 H ASP 33 -7.116 1.699 10.284 270 HA ASP 33 HA ASP 33 -8.139 3.900 11.772 271 HB2 ASP 33 2HB ASP 33 -8.718 1.843 12.716 272 HB3 ASP 33 1HB ASP 33 -7.086 1.202 12.550 273 H LYS 34 H LYS 34 -7.114 4.919 13.433 274 HA LYS 34 HA LYS 34 -4.741 6.276 12.646 275 HB2 LYS 34 2HB LYS 34 -5.204 7.698 14.520 276 HB3 LYS 34 1HB LYS 34 -6.738 7.287 13.770 277 HG2 LYS 34 2HG LYS 34 -6.766 5.378 15.582 278 HG3 LYS 34 1HG LYS 34 -5.624 6.427 16.410 279 HD2 LYS 34 2HD LYS 34 -7.700 7.036 17.287 280 HD3 LYS 34 1HD LYS 34 -7.391 8.268 16.060 281 HE2 LYS 34 2HE LYS 34 -9.688 7.498 15.889 282 HE3 LYS 34 1HE LYS 34 -8.787 6.989 14.464 283 HZ1 LYS 34 3HZ LYS 34 -9.396 5.238 16.808 284 HZ2 LYS 34 1HZ LYS 34 -8.605 4.730 15.419 285 HZ3 LYS 34 2HZ LYS 34 -10.195 5.179 15.325 286 H SER 35 H SER 35 -5.402 3.702 15.045 287 HA SER 35 HA SER 35 -2.872 4.152 16.362 288 HB2 SER 35 2HB SER 35 -5.011 2.037 16.782 289 HB3 SER 35 1HB SER 35 -3.660 2.382 17.868 290 HG SER 35 HG SER 35 -5.217 3.548 18.738 291 H THR 36 H THR 36 -4.488 2.177 14.053 292 HA THR 36 HA THR 36 -2.730 0.180 13.684 293 HB THR 36 HB THR 36 -4.717 1.706 12.060 294 HG1 THR 36 HG1 THR 36 -5.641 0.600 13.743 295 HG21 THR 36 3HG2 THR 36 -3.365 -0.873 11.444 296 HG22 THR 36 1HG2 THR 36 -3.171 0.693 10.626 297 HG23 THR 36 2HG2 THR 36 -4.751 -0.145 10.560 298 H VAL 37 H VAL 37 -2.958 3.476 12.082 299 HA VAL 37 HA VAL 37 -0.710 3.261 10.485 300 HB VAL 37 HB VAL 37 -1.940 5.566 11.929 301 HG11 VAL 37 1HG1 VAL 37 -0.010 5.659 9.599 302 HG12 VAL 37 2HG1 VAL 37 0.367 6.021 11.282 303 HG13 VAL 37 3HG1 VAL 37 -0.757 7.049 10.412 304 HG21 VAL 37 3HG2 VAL 37 -2.970 6.079 9.745 305 HG22 VAL 37 1HG2 VAL 37 -3.459 4.509 10.385 306 HG23 VAL 37 2HG2 VAL 37 -2.254 4.603 9.100 307 H ASN 38 H ASN 38 -1.068 4.525 13.760 308 HA ASN 38 HA ASN 38 1.543 5.309 14.158 309 HB2 ASN 38 2HB ASN 38 -0.608 4.523 16.077 310 HB3 ASN 38 1HB ASN 38 1.022 4.792 16.675 311 HD21 ASN 38 2HD2 ASN 38 -1.277 7.915 15.582 312 HD22 ASN 38 1HD2 ASN 38 -1.801 6.300 15.246 313 H ARG 39 H ARG 39 0.134 2.159 14.823 314 HA ARG 39 HA ARG 39 2.480 1.125 16.065 315 HB2 ARG 39 2HB ARG 39 1.522 -1.084 15.882 316 HB3 ARG 39 1HB ARG 39 0.218 0.047 16.257 317 HG2 ARG 39 2HG ARG 39 -0.397 0.049 13.881 318 HG3 ARG 39 1HG ARG 39 0.867 -1.129 13.575 319 HD2 ARG 39 2HD ARG 39 -0.284 -2.697 15.090 320 HD3 ARG 39 1HD ARG 39 -1.578 -1.506 15.292 321 HE ARG 39 HE ARG 39 -0.873 -2.323 12.592 322 HH11 ARG 39 1HH1 ARG 39 -3.250 -2.486 15.210 323 HH12 ARG 39 2HH1 ARG 39 -4.497 -3.095 14.233 324 HH21 ARG 39 2HH2 ARG 39 -4.071 -3.533 11.895 325 HH22 ARG 39 1HH2 ARG 39 -2.528 -3.169 11.265 326 H HIS 40 H HIS 40 1.421 1.231 12.750 327 HA HIS 40 HA HIS 40 3.473 -0.525 11.816 328 HB2 HIS 40 2HB HIS 40 1.523 1.257 10.405 329 HB3 HIS 40 1HB HIS 40 2.768 0.428 9.499 330 HD1 HIS 40 HD1 HIS 40 2.498 -2.463 9.627 331 HD2 HIS 40 HD2 HIS 40 -0.711 -0.156 10.995 332 HE1 HIS 40 HE1 HIS 40 0.594 -3.984 9.814 333 H LEU 41 H LEU 41 3.181 2.943 12.108 334 HA LEU 41 HA LEU 41 5.582 3.381 10.635 335 HB2 LEU 41 2HB LEU 41 5.449 5.711 11.371 336 HB3 LEU 41 1HB LEU 41 3.971 5.164 10.611 337 HG LEU 41 HG LEU 41 3.172 4.823 13.062 338 HD11 LEU 41 1HD1 LEU 41 5.371 6.821 13.487 339 HD12 LEU 41 2HD1 LEU 41 5.240 5.217 14.210 340 HD13 LEU 41 3HD1 LEU 41 4.078 6.474 14.637 341 HD21 LEU 41 3HD2 LEU 41 2.275 7.051 13.081 342 HD22 LEU 41 1HD2 LEU 41 2.253 6.319 11.480 343 HD23 LEU 41 2HD2 LEU 41 3.466 7.556 11.862 344 H TYR 42 H TYR 42 4.782 2.823 14.028 345 HA TYR 42 HA TYR 42 7.123 3.607 15.103 346 HB2 TYR 42 2HB TYR 42 4.838 2.014 15.659 347 HB3 TYR 42 1HB TYR 42 6.216 1.488 16.542 348 HD1 TYR 42 HD1 TYR 42 3.454 3.438 16.602 349 HD2 TYR 42 HD2 TYR 42 7.519 3.676 17.510 350 HE1 TYR 42 HE1 TYR 42 2.951 5.344 18.149 351 HE2 TYR 42 HE2 TYR 42 7.111 5.580 19.071 352 HH TYR 42 HH TYR 42 3.952 6.459 20.053 353 H ASN 43 H ASN 43 6.171 0.691 13.533 354 HA ASN 43 HA ASN 43 8.476 -0.853 14.162 355 HB2 ASN 43 2HB ASN 43 6.818 -1.044 11.633 356 HB3 ASN 43 1HB ASN 43 7.906 -2.280 12.250 357 HD21 ASN 43 2HD2 ASN 43 4.334 -2.890 13.128 358 HD22 ASN 43 1HD2 ASN 43 5.135 -2.421 11.660 359 H LEU 44 H LEU 44 7.679 1.036 11.278 360 HA LEU 44 HA LEU 44 10.138 0.827 9.927 361 HB2 LEU 44 2HB LEU 44 8.421 3.304 9.958 362 HB3 LEU 44 1HB LEU 44 9.557 2.800 8.762 363 HG LEU 44 HG LEU 44 7.045 1.245 9.292 364 HD11 LEU 44 1HD1 LEU 44 7.623 3.315 7.167 365 HD12 LEU 44 2HD1 LEU 44 6.499 3.511 8.511 366 HD13 LEU 44 3HD1 LEU 44 6.179 2.309 7.263 367 HD21 LEU 44 3HD2 LEU 44 8.749 -0.052 8.288 368 HD22 LEU 44 1HD2 LEU 44 9.124 1.224 7.122 369 HD23 LEU 44 2HD2 LEU 44 7.586 0.386 7.027 370 H GLN 45 H GLN 45 9.044 3.010 12.421 371 HA GLN 45 HA GLN 45 11.079 4.898 12.378 372 HB2 GLN 45 2HB GLN 45 8.925 5.123 13.470 373 HB3 GLN 45 1HB GLN 45 9.454 4.000 14.714 374 HG2 GLN 45 2HG GLN 45 11.076 5.466 15.517 375 HG3 GLN 45 1HG GLN 45 10.962 6.504 14.092 376 HE21 GLN 45 2HE2 GLN 45 8.186 8.188 15.139 377 HE22 GLN 45 1HE2 GLN 45 9.223 7.785 13.830 378 H ARG 46 H ARG 46 10.745 1.775 13.942 379 HA ARG 46 HA ARG 46 12.886 1.943 15.828 380 HB2 ARG 46 2HB ARG 46 11.871 -0.549 14.442 381 HB3 ARG 46 1HB ARG 46 12.884 -0.516 15.864 382 HG2 ARG 46 2HG ARG 46 9.998 0.312 15.645 383 HG3 ARG 46 1HG ARG 46 10.649 -1.091 16.486 384 HD2 ARG 46 2HD ARG 46 10.372 0.318 18.266 385 HD3 ARG 46 1HD ARG 46 12.004 0.763 17.750 386 HE ARG 46 HE ARG 46 9.942 2.288 16.505 387 HH11 ARG 46 1HH1 ARG 46 12.150 2.112 19.265 388 HH12 ARG 46 2HH1 ARG 46 11.952 3.727 19.765 389 HH21 ARG 46 2HH2 ARG 46 10.461 5.175 18.542 390 HH22 ARG 46 1HH2 ARG 46 9.621 4.604 17.218 391 H SER 47 H SER 47 12.647 1.125 12.521 392 HA SER 47 HA SER 47 15.377 0.192 12.354 393 HB2 SER 47 2HB SER 47 13.617 -1.078 11.208 394 HB3 SER 47 1HB SER 47 13.201 0.343 10.256 395 HG SER 47 HG SER 47 15.601 0.194 9.712 396 H ASN 48 H ASN 48 13.999 3.287 12.375 397 HA ASN 48 HA ASN 48 14.524 5.235 11.612 398 HB2 ASN 48 2HB ASN 48 17.141 3.837 11.165 399 HB3 ASN 48 1HB ASN 48 16.965 5.561 10.817 400 HD21 ASN 48 2HD2 ASN 48 17.336 4.192 14.600 401 HD22 ASN 48 1HD2 ASN 48 17.176 3.112 13.255 402 H GLN 49 H GLN 49 13.034 3.694 9.972 403 HA GLN 49 HA GLN 49 14.103 4.327 7.338 404 HB2 GLN 49 2HB GLN 49 13.428 1.940 7.703 405 HB3 GLN 49 1HB GLN 49 11.813 2.474 8.132 406 HG2 GLN 49 2HG GLN 49 13.009 3.049 5.434 407 HG3 GLN 49 1HG GLN 49 12.180 1.536 5.785 408 HE21 GLN 49 2HE2 GLN 49 9.952 4.285 4.477 409 HE22 GLN 49 1HE2 GLN 49 11.554 3.843 3.981 410 H VAL 50 H VAL 50 11.362 4.525 9.495 411 HA VAL 50 HA VAL 50 10.633 7.000 8.145 412 HB VAL 50 HB VAL 50 8.951 4.875 8.288 413 HG11 VAL 50 1HG1 VAL 50 8.278 6.491 10.739 414 HG12 VAL 50 2HG1 VAL 50 9.093 4.955 10.749 415 HG13 VAL 50 3HG1 VAL 50 7.396 5.059 10.162 416 HG21 VAL 50 3HG2 VAL 50 8.438 6.900 7.085 417 HG22 VAL 50 1HG2 VAL 50 8.089 7.740 8.595 418 HG23 VAL 50 2HG2 VAL 50 7.050 6.417 8.062 419 H PHE 51 H PHE 51 10.451 8.514 9.396 420 HA PHE 51 HA PHE 51 10.097 8.634 12.163 421 HB2 PHE 51 2HB PHE 51 12.362 9.738 12.788 422 HB3 PHE 51 1HB PHE 51 12.347 7.996 12.562 423 HD1 PHE 51 HD1 PHE 51 13.635 6.970 11.023 424 HD2 PHE 51 HD2 PHE 51 13.341 11.183 10.959 425 HE1 PHE 51 HE1 PHE 51 15.493 7.017 9.505 426 HE2 PHE 51 HE2 PHE 51 15.239 11.296 9.378 427 HZ PHE 51 HZ PHE 51 16.335 9.211 8.633 428 H ASN 52 H ASN 52 10.960 11.131 12.852 429 HA ASN 52 HA ASN 52 9.463 12.725 10.926 430 HB2 ASN 52 2HB ASN 52 10.624 13.612 13.513 431 HB3 ASN 52 1HB ASN 52 9.462 14.442 12.530 432 HD21 ASN 52 2HD2 ASN 52 6.638 12.813 13.648 433 HD22 ASN 52 1HD2 ASN 52 7.311 13.943 12.539 434 H SER 53 H SER 53 10.393 14.226 9.753 435 HA SER 53 HA SER 53 13.219 14.881 10.105 436 HB2 SER 53 2HB SER 53 13.069 12.516 9.244 437 HB3 SER 53 1HB SER 53 12.343 13.213 7.797 438 HG SER 53 HG SER 53 14.580 12.866 7.524 439 H ASN 54 H ASN 54 13.905 15.451 7.680 440 HA ASN 54 HA ASN 54 14.081 16.775 5.879 441 HB2 ASN 54 2HB ASN 54 12.777 15.063 4.926 442 HB3 ASN 54 1HB ASN 54 11.287 15.750 5.544 443 HD21 ASN 54 2HD2 ASN 54 10.844 17.929 2.853 444 HD22 ASN 54 1HD2 ASN 54 10.237 17.365 4.350 445 H GLU 55 H GLU 55 11.669 18.044 8.040 446 HA GLU 55 HA GLU 55 11.975 20.578 6.732 447 HB2 GLU 55 2HB GLU 55 9.427 20.747 6.411 448 HB3 GLU 55 1HB GLU 55 10.349 19.791 5.258 449 HG2 GLU 55 2HG GLU 55 9.795 17.798 6.672 450 HG3 GLU 55 1HG GLU 55 8.560 18.792 7.474 451 H LYS 56 H LYS 56 10.286 22.144 7.730 452 HA LYS 56 HA LYS 56 11.046 22.347 10.437 453 HB2 LYS 56 2HB LYS 56 9.071 24.019 8.869 454 HB3 LYS 56 1HB LYS 56 9.458 24.330 10.553 455 HG2 LYS 56 2HG LYS 56 11.816 24.658 9.932 456 HG3 LYS 56 1HG LYS 56 11.393 24.381 8.242 457 HD2 LYS 56 2HD LYS 56 9.958 26.330 8.238 458 HD3 LYS 56 1HD LYS 56 10.218 26.567 9.965 459 HE2 LYS 56 2HE LYS 56 11.577 28.127 8.677 460 HE3 LYS 56 1HE LYS 56 12.602 26.986 9.539 461 HZ1 LYS 56 3HZ LYS 56 12.881 25.739 7.481 462 HZ2 LYS 56 1HZ LYS 56 13.369 27.347 7.285 463 HZ3 LYS 56 2HZ LYS 56 11.890 26.838 6.655 464 HA PRO 57 HA PRO 57 6.868 20.650 11.718 465 HB2 PRO 57 2HB PRO 57 5.501 19.521 9.409 466 HB3 PRO 57 1HB PRO 57 4.893 20.776 10.506 467 HG2 PRO 57 2HG PRO 57 5.472 21.256 7.911 468 HG3 PRO 57 1HG PRO 57 5.583 22.485 9.189 469 HD2 PRO 57 2HD PRO 57 7.767 20.884 7.937 470 HD3 PRO 57 1HD PRO 57 7.735 22.604 8.382 471 HA PRO 58 HA PRO 58 9.627 17.069 11.251 472 HB2 PRO 58 2HB PRO 58 7.942 16.085 13.516 473 HB3 PRO 58 1HB PRO 58 9.712 16.207 13.407 474 HG2 PRO 58 2HG PRO 58 8.375 17.903 14.894 475 HG3 PRO 58 1HG PRO 58 9.764 18.427 13.922 476 HD2 PRO 58 2HD PRO 58 6.863 18.849 13.416 477 HD3 PRO 58 1HD PRO 58 8.244 19.926 13.114 478 H VAL 59 H VAL 59 9.056 15.983 9.411 479 HA VAL 59 HA VAL 59 6.310 15.185 8.978 480 HB VAL 59 HB VAL 59 7.724 16.222 7.224 481 HG11 VAL 59 1HG1 VAL 59 9.305 14.818 5.975 482 HG12 VAL 59 2HG1 VAL 59 9.228 13.644 7.298 483 HG13 VAL 59 3HG1 VAL 59 9.839 15.266 7.593 484 HG21 VAL 59 3HG2 VAL 59 5.776 15.075 6.433 485 HG22 VAL 59 1HG2 VAL 59 6.575 13.508 6.696 486 HG23 VAL 59 2HG2 VAL 59 7.160 14.540 5.437 487 H TRP 60 H TRP 60 5.412 13.253 9.005 488 HA TRP 60 HA TRP 60 7.191 11.084 9.659 489 HB2 TRP 60 2HB TRP 60 4.172 10.994 9.258 490 HB3 TRP 60 1HB TRP 60 5.176 9.762 10.018 491 HD1 TRP 60 HD1 TRP 60 4.171 13.377 10.610 492 HE1 TRP 60 HE1 TRP 60 3.893 13.799 13.169 493 HE3 TRP 60 HE3 TRP 60 5.654 8.832 12.304 494 HZ2 TRP 60 HZ2 TRP 60 4.280 12.356 15.554 495 HZ3 TRP 60 HZ3 TRP 60 5.693 8.427 14.741 496 HH2 TRP 60 HH2 TRP 60 5.024 10.148 16.318 497 H ASP 61 H ASP 61 8.242 10.713 8.050 498 HA ASP 61 HA ASP 61 7.237 9.913 5.501 499 HB2 ASP 61 2HB ASP 61 7.485 12.452 5.358 500 HB3 ASP 61 1HB ASP 61 9.174 12.252 5.789 501 H LEU 62 H LEU 62 9.617 9.871 4.418 502 HA LEU 62 HA LEU 62 11.096 8.226 6.348 503 HB2 LEU 62 2HB LEU 62 11.171 6.401 4.654 504 HB3 LEU 62 1HB LEU 62 9.637 6.908 5.368 505 HG LEU 62 HG LEU 62 8.840 7.882 3.338 506 HD11 LEU 62 1HD1 LEU 62 10.833 8.934 2.526 507 HD12 LEU 62 2HD1 LEU 62 10.123 7.929 1.259 508 HD13 LEU 62 3HD1 LEU 62 11.540 7.368 2.154 509 HD21 LEU 62 3HD2 LEU 62 10.177 5.305 2.582 510 HD22 LEU 62 1HD2 LEU 62 8.767 6.015 1.813 511 HD23 LEU 62 2HD2 LEU 62 8.672 5.418 3.477 512 H MET 63 H MET 63 12.921 7.084 4.472 513 HA MET 63 HA MET 63 14.529 9.413 3.790 514 HB2 MET 63 2HB MET 63 15.481 7.882 5.557 515 HB3 MET 63 1HB MET 63 15.329 6.551 4.426 516 HG2 MET 63 2HG MET 63 17.614 7.300 4.491 517 HG3 MET 63 1HG MET 63 16.914 7.659 2.916 518 HE1 MET 63 3HE MET 63 16.323 9.681 6.283 519 HE2 MET 63 1HE MET 63 17.640 10.846 6.190 520 HE3 MET 63 2HE MET 63 17.996 9.131 6.399 521 H GLU 64 H GLU 64 13.584 6.015 3.126 522 HA GLU 64 HA GLU 64 12.500 6.264 0.741 523 HB2 GLU 64 2HB GLU 64 14.887 6.912 0.200 524 HB3 GLU 64 1HB GLU 64 15.323 5.258 0.603 525 HG2 GLU 64 2HG GLU 64 15.036 5.628 -1.897 526 HG3 GLU 64 1HG GLU 64 13.992 4.373 -1.233 Start of MODEL 4 1 HA MET 1 HA MET 1 11.044 -11.856 1.851 2 HB2 MET 1 2HB MET 1 9.936 -9.039 2.092 3 HB3 MET 1 1HB MET 1 11.357 -9.482 1.161 4 HG2 MET 1 2HG MET 1 8.526 -10.362 0.652 5 HG3 MET 1 1HG MET 1 9.460 -9.208 -0.297 6 HE1 MET 1 2HE MET 1 11.471 -9.851 -1.882 7 HE2 MET 1 3HE MET 1 12.161 -11.470 -1.987 8 HE3 MET 1 1HE MET 1 12.334 -10.531 -0.504 9 H SER 2 H SER 2 12.936 -9.972 2.332 10 HA SER 2 HA SER 2 13.661 -10.471 5.017 11 HB2 SER 2 2HB SER 2 14.900 -8.593 2.990 12 HB3 SER 2 1HB SER 2 15.690 -9.327 4.390 13 HG SER 2 HG SER 2 16.254 -10.738 2.905 14 H ALA 3 H ALA 3 12.237 -9.504 6.346 15 HA ALA 3 HA ALA 3 11.335 -7.961 7.684 16 HB1 ALA 3 1HB ALA 3 12.092 -5.634 7.733 17 HB2 ALA 3 2HB ALA 3 12.922 -5.851 6.192 18 HB3 ALA 3 3HB ALA 3 13.482 -6.716 7.623 19 H GLU 4 H GLU 4 9.297 -7.653 7.555 20 HA GLU 4 HA GLU 4 8.049 -7.243 5.057 21 HB2 GLU 4 2HB GLU 4 7.014 -7.642 7.794 22 HB3 GLU 4 1HB GLU 4 5.928 -7.267 6.453 23 HG2 GLU 4 2HG GLU 4 7.735 -9.660 6.750 24 HG3 GLU 4 1HG GLU 4 5.970 -9.646 6.668 25 H THR 5 H THR 5 9.527 -5.046 6.473 26 HA THR 5 HA THR 5 7.813 -2.883 6.999 27 HB THR 5 HB THR 5 10.200 -2.778 7.598 28 HG1 THR 5 HG1 THR 5 8.835 -0.860 6.409 29 HG21 THR 5 3HG2 THR 5 10.713 -2.568 4.622 30 HG22 THR 5 1HG2 THR 5 11.156 -3.929 5.653 31 HG23 THR 5 2HG2 THR 5 11.927 -2.358 5.882 32 H GLN 6 H GLN 6 8.503 -4.435 4.126 33 HA GLN 6 HA GLN 6 7.984 -2.511 2.170 34 HB2 GLN 6 2HB GLN 6 7.226 -4.501 0.801 35 HB3 GLN 6 1HB GLN 6 8.863 -4.558 1.452 36 HG2 GLN 6 2HG GLN 6 8.296 -6.185 3.045 37 HG3 GLN 6 1HG GLN 6 6.569 -5.895 2.853 38 HE21 GLN 6 2HE2 GLN 6 6.715 -8.856 0.986 39 HE22 GLN 6 1HE2 GLN 6 6.363 -8.213 2.541 40 H MET 7 H MET 7 5.869 -4.053 4.456 41 HA MET 7 HA MET 7 3.458 -3.670 2.973 42 HB2 MET 7 2HB MET 7 3.864 -4.059 5.950 43 HB3 MET 7 1HB MET 7 2.305 -4.072 5.143 44 HG2 MET 7 2HG MET 7 4.546 -6.043 4.762 45 HG3 MET 7 1HG MET 7 3.021 -6.328 5.598 46 HE1 MET 7 3HE MET 7 4.055 -8.306 3.408 47 HE2 MET 7 1HE MET 7 2.597 -8.577 2.454 48 HE3 MET 7 2HE MET 7 2.495 -8.483 4.211 49 H GLU 8 H GLU 8 4.941 -2.078 5.671 50 HA GLU 8 HA GLU 8 3.244 0.101 5.856 51 HB2 GLU 8 2HB GLU 8 6.181 -0.057 6.538 52 HB3 GLU 8 1HB GLU 8 5.084 1.240 6.987 53 HG2 GLU 8 2HG GLU 8 5.390 -0.163 8.902 54 HG3 GLU 8 1HG GLU 8 3.761 -0.392 8.273 55 H ARG 9 H ARG 9 6.112 -0.455 3.944 56 HA ARG 9 HA ARG 9 6.314 2.187 2.963 57 HB2 ARG 9 2HB ARG 9 7.260 -0.380 1.706 58 HB3 ARG 9 1HB ARG 9 7.547 1.198 0.992 59 HG2 ARG 9 2HG ARG 9 8.512 0.256 3.678 60 HG3 ARG 9 1HG ARG 9 9.485 0.451 2.219 61 HD2 ARG 9 2HD ARG 9 8.072 2.646 3.747 62 HD3 ARG 9 1HD ARG 9 9.796 2.341 3.697 63 HE ARG 9 HE ARG 9 8.224 3.243 1.359 64 HH11 ARG 9 1HH1 ARG 9 11.330 3.179 3.174 65 HH12 ARG 9 2HH1 ARG 9 12.017 4.315 2.086 66 HH21 ARG 9 2HH2 ARG 9 10.875 5.214 0.348 67 HH22 ARG 9 1HH2 ARG 9 9.237 4.752 0.033 68 H LYS 10 H LYS 10 4.401 -0.492 1.847 69 HA LYS 10 HA LYS 10 3.569 0.815 -0.519 70 HB2 LYS 10 2HB LYS 10 2.223 -1.329 1.110 71 HB3 LYS 10 1HB LYS 10 1.573 -0.728 -0.402 72 HG2 LYS 10 2HG LYS 10 3.570 -1.512 -1.582 73 HG3 LYS 10 1HG LYS 10 4.234 -2.104 -0.057 74 HD2 LYS 10 2HD LYS 10 1.571 -3.012 -1.143 75 HD3 LYS 10 1HD LYS 10 3.082 -3.831 -1.523 76 HE2 LYS 10 2HE LYS 10 2.207 -3.354 1.329 77 HE3 LYS 10 1HE LYS 10 1.705 -4.794 0.426 78 HZ1 LYS 10 3HZ LYS 10 4.451 -3.916 1.101 79 HZ2 LYS 10 1HZ LYS 10 4.098 -5.275 0.137 80 HZ3 LYS 10 2HZ LYS 10 3.601 -5.233 1.748 81 H ILE 11 H ILE 11 2.229 0.854 2.800 82 HA ILE 11 HA ILE 11 -0.032 2.302 1.855 83 HB ILE 11 HB ILE 11 -0.629 2.524 4.189 84 HG12 ILE 11 2HG1 ILE 11 2.027 1.183 4.646 85 HG13 ILE 11 1HG1 ILE 11 1.452 2.697 5.318 86 HG21 ILE 11 1HG2 ILE 11 0.270 -0.193 3.310 87 HG22 ILE 11 2HG2 ILE 11 -1.286 0.551 2.899 88 HG23 ILE 11 3HG2 ILE 11 -0.939 0.057 4.574 89 HD11 ILE 11 3HD1 ILE 11 0.488 -0.035 5.938 90 HD12 ILE 11 1HD1 ILE 11 -0.178 1.437 6.668 91 HD13 ILE 11 2HD1 ILE 11 1.511 0.971 6.979 92 H ILE 12 H ILE 12 2.962 3.120 3.511 93 HA ILE 12 HA ILE 12 2.051 5.791 3.756 94 HB ILE 12 HB ILE 12 3.978 6.384 4.823 95 HG12 ILE 12 2HG1 ILE 12 5.988 4.463 4.600 96 HG13 ILE 12 1HG1 ILE 12 5.297 4.579 2.998 97 HG21 ILE 12 1HG2 ILE 12 2.833 4.840 6.203 98 HG22 ILE 12 2HG2 ILE 12 4.571 4.673 6.458 99 HG23 ILE 12 3HG2 ILE 12 3.706 3.485 5.486 100 HD11 ILE 12 3HD1 ILE 12 7.124 6.210 3.119 101 HD12 ILE 12 1HD1 ILE 12 6.355 6.983 4.510 102 HD13 ILE 12 2HD1 ILE 12 5.573 7.041 2.961 103 H ASP 13 H ASP 13 3.805 3.988 1.237 104 HA ASP 13 HA ASP 13 4.863 6.430 0.233 105 HB2 ASP 13 2HB ASP 13 5.329 3.716 -0.383 106 HB3 ASP 13 1HB ASP 13 4.771 4.478 -1.871 107 H PHE 14 H PHE 14 2.000 4.568 -0.289 108 HA PHE 14 HA PHE 14 0.891 5.926 -2.434 109 HB2 PHE 14 2HB PHE 14 -0.190 3.977 -1.542 110 HB3 PHE 14 1HB PHE 14 -0.270 4.679 0.064 111 HD1 PHE 14 HD1 PHE 14 -1.644 4.892 -3.346 112 HD2 PHE 14 HD2 PHE 14 -2.062 5.951 0.721 113 HE1 PHE 14 HE1 PHE 14 -3.947 5.679 -3.807 114 HE2 PHE 14 HE2 PHE 14 -4.369 6.750 0.307 115 HZ PHE 14 HZ PHE 14 -5.311 6.610 -1.973 116 H LEU 15 H LEU 15 0.544 6.570 1.088 117 HA LEU 15 HA LEU 15 -0.714 9.002 0.813 118 HB2 LEU 15 2HB LEU 15 -1.130 8.292 2.767 119 HB3 LEU 15 1HB LEU 15 0.217 7.187 2.842 120 HG LEU 15 HG LEU 15 0.083 8.554 4.727 121 HD11 LEU 15 1HD1 LEU 15 2.314 9.621 4.877 122 HD12 LEU 15 2HD1 LEU 15 2.489 9.357 3.141 123 HD13 LEU 15 3HD1 LEU 15 2.312 7.981 4.227 124 HD21 LEU 15 3HD2 LEU 15 0.252 10.948 2.949 125 HD22 LEU 15 1HD2 LEU 15 0.452 11.036 4.703 126 HD23 LEU 15 2HD2 LEU 15 -1.081 10.488 4.024 127 H ARG 16 H ARG 16 2.587 8.125 0.783 128 HA ARG 16 HA ARG 16 3.749 10.590 1.330 129 HB2 ARG 16 2HB ARG 16 4.896 8.452 1.345 130 HB3 ARG 16 1HB ARG 16 4.731 8.367 -0.406 131 HG2 ARG 16 2HG ARG 16 6.204 9.966 -0.798 132 HG3 ARG 16 1HG ARG 16 5.895 10.740 0.762 133 HD2 ARG 16 2HD ARG 16 7.973 9.780 1.170 134 HD3 ARG 16 1HD ARG 16 6.826 8.515 1.646 135 HE ARG 16 HE ARG 16 7.251 7.661 -0.742 136 HH11 ARG 16 1HH1 ARG 16 9.652 8.999 1.542 137 HH12 ARG 16 2HH1 ARG 16 10.945 8.173 0.775 138 HH21 ARG 16 2HH2 ARG 16 10.582 6.799 -1.032 139 HH22 ARG 16 1HH2 ARG 16 8.972 6.602 -1.682 140 H GLN 17 H GLN 17 2.907 9.027 -1.537 141 HA GLN 17 HA GLN 17 3.604 11.085 -3.379 142 HB2 GLN 17 2HB GLN 17 1.415 9.026 -3.774 143 HB3 GLN 17 1HB GLN 17 2.111 10.024 -5.031 144 HG2 GLN 17 2HG GLN 17 3.392 7.745 -3.542 145 HG3 GLN 17 1HG GLN 17 3.018 7.845 -5.257 146 HE21 GLN 17 2HE2 GLN 17 6.500 9.189 -3.810 147 HE22 GLN 17 1HE2 GLN 17 5.276 8.489 -2.808 148 H ASN 18 H ASN 18 0.771 10.558 -1.387 149 HA ASN 18 HA ASN 18 -0.756 12.665 -2.639 150 HB2 ASN 18 2HB ASN 18 -1.166 11.478 0.131 151 HB3 ASN 18 1HB ASN 18 -2.356 12.333 -0.839 152 HD21 ASN 18 2HD2 ASN 18 -2.097 9.253 -3.086 153 HD22 ASN 18 1HD2 ASN 18 -1.456 10.853 -3.284 154 H GLY 19 H GLY 19 1.258 12.204 0.127 155 HA2 GLY 19 2HA GLY 19 2.666 14.396 0.339 156 HA3 GLY 19 1HA GLY 19 1.116 14.969 0.948 157 H LYS 20 H LYS 20 3.736 12.544 1.524 158 HA LYS 20 HA LYS 20 3.176 11.450 3.846 159 HB2 LYS 20 2HB LYS 20 5.657 12.017 4.444 160 HB3 LYS 20 1HB LYS 20 5.255 10.894 3.160 161 HG2 LYS 20 2HG LYS 20 7.085 12.388 2.524 162 HG3 LYS 20 1HG LYS 20 5.681 12.610 1.489 163 HD2 LYS 20 2HD LYS 20 5.181 14.696 2.457 164 HD3 LYS 20 1HD LYS 20 6.254 14.443 3.824 165 HE2 LYS 20 2HE LYS 20 7.140 14.694 0.946 166 HE3 LYS 20 1HE LYS 20 7.155 16.010 2.118 167 HZ1 LYS 20 3HZ LYS 20 8.781 15.012 3.358 168 HZ2 LYS 20 1HZ LYS 20 9.333 14.830 1.814 169 HZ3 LYS 20 2HZ LYS 20 8.699 13.480 2.622 170 H SER 21 H SER 21 3.607 11.891 6.150 171 HA SER 21 HA SER 21 3.468 14.439 7.239 172 HB2 SER 21 2HB SER 21 0.888 13.383 6.125 173 HB3 SER 21 1HB SER 21 0.834 14.385 7.553 174 HG SER 21 HG SER 21 2.170 15.135 5.180 175 H ILE 22 H ILE 22 1.448 14.025 9.187 176 HA ILE 22 HA ILE 22 2.787 12.123 10.844 177 HB ILE 22 HB ILE 22 1.212 12.859 12.595 178 HG12 ILE 22 2HG1 ILE 22 0.082 14.686 10.448 179 HG13 ILE 22 1HG1 ILE 22 -0.743 13.287 11.122 180 HG21 ILE 22 1HG2 ILE 22 2.542 15.100 11.075 181 HG22 ILE 22 2HG2 ILE 22 3.298 14.063 12.286 182 HG23 ILE 22 3HG2 ILE 22 2.016 15.181 12.757 183 HD11 ILE 22 3HD1 ILE 22 0.048 15.774 12.628 184 HD12 ILE 22 1HD1 ILE 22 -0.783 14.378 13.313 185 HD13 ILE 22 2HD1 ILE 22 -1.576 15.360 12.080 186 H ALA 23 H ALA 23 1.344 10.805 12.321 187 HA ALA 23 HA ALA 23 0.386 8.593 10.988 188 HB1 ALA 23 1HB ALA 23 1.175 8.671 13.316 189 HB2 ALA 23 2HB ALA 23 -0.348 7.802 13.126 190 HB3 ALA 23 3HB ALA 23 -0.342 9.442 13.776 191 H LEU 24 H LEU 24 -1.382 11.423 12.062 192 HA LEU 24 HA LEU 24 -3.965 10.237 11.946 193 HB2 LEU 24 2HB LEU 24 -3.343 12.226 13.350 194 HB3 LEU 24 1HB LEU 24 -3.166 13.165 11.894 195 HG LEU 24 HG LEU 24 -5.254 13.607 13.219 196 HD11 LEU 24 1HD1 LEU 24 -5.725 12.658 10.405 197 HD12 LEU 24 2HD1 LEU 24 -5.192 14.265 10.896 198 HD13 LEU 24 3HD1 LEU 24 -6.802 13.698 11.339 199 HD21 LEU 24 3HD2 LEU 24 -6.059 10.863 12.267 200 HD22 LEU 24 1HD2 LEU 24 -7.110 12.023 13.075 201 HD23 LEU 24 2HD2 LEU 24 -5.734 11.331 13.935 202 H THR 25 H THR 25 -1.866 11.960 9.707 203 HA THR 25 HA THR 25 -3.834 12.437 7.769 204 HB THR 25 HB THR 25 -0.882 12.130 7.364 205 HG1 THR 25 HG1 THR 25 -2.479 14.195 8.455 206 HG21 THR 25 3HG2 THR 25 -3.020 13.753 5.966 207 HG22 THR 25 1HG2 THR 25 -2.409 12.190 5.450 208 HG23 THR 25 2HG2 THR 25 -1.320 13.594 5.454 209 H ILE 26 H ILE 26 -1.222 10.060 8.068 210 HA ILE 26 HA ILE 26 -1.617 8.601 5.789 211 HB ILE 26 HB ILE 26 -0.992 7.188 8.415 212 HG12 ILE 26 2HG1 ILE 26 0.904 8.716 6.560 213 HG13 ILE 26 1HG1 ILE 26 0.451 9.226 8.175 214 HG21 ILE 26 1HG2 ILE 26 -0.300 6.695 5.538 215 HG22 ILE 26 2HG2 ILE 26 -1.448 5.802 6.531 216 HG23 ILE 26 3HG2 ILE 26 0.287 5.723 6.903 217 HD11 ILE 26 3HD1 ILE 26 1.572 7.269 9.105 218 HD12 ILE 26 1HD1 ILE 26 2.666 8.251 8.132 219 HD13 ILE 26 2HD1 ILE 26 2.010 6.751 7.477 220 H ALA 27 H ALA 27 -3.222 8.138 8.877 221 HA ALA 27 HA ALA 27 -4.833 5.976 8.220 222 HB1 ALA 27 1HB ALA 27 -4.473 6.819 10.466 223 HB2 ALA 27 2HB ALA 27 -6.195 6.648 10.107 224 HB3 ALA 27 3HB ALA 27 -5.438 8.248 10.098 225 H LYS 28 H LYS 28 -5.434 9.514 7.761 226 HA LYS 28 HA LYS 28 -8.048 9.280 6.896 227 HB2 LYS 28 2HB LYS 28 -6.272 11.205 7.666 228 HB3 LYS 28 1HB LYS 28 -6.382 11.476 5.941 229 HG2 LYS 28 2HG LYS 28 -8.599 11.277 7.832 230 HG3 LYS 28 1HG LYS 28 -7.892 12.814 7.329 231 HD2 LYS 28 2HD LYS 28 -9.294 10.832 5.466 232 HD3 LYS 28 1HD LYS 28 -10.075 12.257 6.131 233 HE2 LYS 28 2HE LYS 28 -9.461 12.801 3.881 234 HE3 LYS 28 1HE LYS 28 -8.323 13.644 4.915 235 HZ1 LYS 28 3HZ LYS 28 -7.276 12.508 2.919 236 HZ2 LYS 28 1HZ LYS 28 -7.686 11.040 3.590 237 HZ3 LYS 28 2HZ LYS 28 -6.594 12.105 4.313 238 H GLU 29 H GLU 29 -4.921 9.113 5.285 239 HA GLU 29 HA GLU 29 -6.094 9.532 2.698 240 HB2 GLU 29 2HB GLU 29 -3.302 8.537 3.234 241 HB3 GLU 29 1HB GLU 29 -3.894 9.351 1.796 242 HG2 GLU 29 2HG GLU 29 -3.215 10.462 4.478 243 HG3 GLU 29 1HG GLU 29 -2.658 10.972 2.892 244 H ILE 30 H ILE 30 -5.006 6.852 4.601 245 HA ILE 30 HA ILE 30 -5.492 5.090 2.320 246 HB ILE 30 HB ILE 30 -4.582 3.240 3.673 247 HG12 ILE 30 2HG1 ILE 30 -4.053 5.383 5.745 248 HG13 ILE 30 1HG1 ILE 30 -5.162 4.038 5.930 249 HG21 ILE 30 1HG2 ILE 30 -2.236 4.011 3.665 250 HG22 ILE 30 2HG2 ILE 30 -2.805 5.669 3.470 251 HG23 ILE 30 3HG2 ILE 30 -3.111 4.477 2.207 252 HD11 ILE 30 3HD1 ILE 30 -2.161 3.874 5.688 253 HD12 ILE 30 1HD1 ILE 30 -3.246 2.490 5.816 254 HD13 ILE 30 2HD1 ILE 30 -3.115 3.633 7.152 255 H GLY 31 H GLY 31 -7.146 6.267 4.934 256 HA2 GLY 31 2HA GLY 31 -9.324 5.933 5.570 257 HA3 GLY 31 1HA GLY 31 -9.457 4.708 4.315 258 H LEU 32 H LEU 32 -6.991 4.563 6.736 259 HA LEU 32 HA LEU 32 -8.378 2.203 7.805 260 HB2 LEU 32 2HB LEU 32 -5.378 2.573 7.770 261 HB3 LEU 32 1HB LEU 32 -6.249 1.158 8.301 262 HG LEU 32 HG LEU 32 -5.759 2.125 5.506 263 HD11 LEU 32 1HD1 LEU 32 -4.898 -0.106 5.159 264 HD12 LEU 32 2HD1 LEU 32 -5.285 -0.516 6.827 265 HD13 LEU 32 3HD1 LEU 32 -4.070 0.713 6.486 266 HD21 LEU 32 3HD2 LEU 32 -7.237 0.369 4.668 267 HD22 LEU 32 1HD2 LEU 32 -8.079 1.633 5.559 268 HD23 LEU 32 2HD2 LEU 32 -7.798 0.057 6.326 269 H ASP 33 H ASP 33 -7.327 1.596 9.990 270 HA ASP 33 HA ASP 33 -8.117 3.611 11.777 271 HB2 ASP 33 2HB ASP 33 -8.558 1.427 12.490 272 HB3 ASP 33 1HB ASP 33 -6.907 0.898 12.185 273 H LYS 34 H LYS 34 -7.137 4.971 12.909 274 HA LYS 34 HA LYS 34 -4.592 5.994 12.369 275 HB2 LYS 34 2HB LYS 34 -4.911 7.528 14.229 276 HB3 LYS 34 1HB LYS 34 -6.397 7.383 13.309 277 HG2 LYS 34 2HG LYS 34 -5.955 5.786 15.831 278 HG3 LYS 34 1HG LYS 34 -6.547 7.441 15.888 279 HD2 LYS 34 2HD LYS 34 -8.531 6.830 14.655 280 HD3 LYS 34 1HD LYS 34 -7.891 5.224 14.324 281 HE2 LYS 34 2HE LYS 34 -8.454 6.231 17.106 282 HE3 LYS 34 1HE LYS 34 -9.627 5.341 16.139 283 HZ1 LYS 34 3HZ LYS 34 -8.491 3.775 17.551 284 HZ2 LYS 34 1HZ LYS 34 -6.956 4.281 17.028 285 HZ3 LYS 34 2HZ LYS 34 -7.998 3.538 15.967 286 H SER 35 H SER 35 -5.460 3.511 14.703 287 HA SER 35 HA SER 35 -3.079 4.063 16.260 288 HB2 SER 35 2HB SER 35 -5.260 1.981 16.604 289 HB3 SER 35 1HB SER 35 -3.961 2.300 17.757 290 HG SER 35 HG SER 35 -4.865 4.091 18.359 291 H THR 36 H THR 36 -4.362 1.990 13.845 292 HA THR 36 HA THR 36 -2.498 0.038 13.786 293 HB THR 36 HB THR 36 -4.448 1.354 11.969 294 HG1 THR 36 HG1 THR 36 -5.406 0.205 13.502 295 HG21 THR 36 3HG2 THR 36 -4.186 -0.466 10.432 296 HG22 THR 36 1HG2 THR 36 -2.806 -1.076 11.399 297 HG23 THR 36 2HG2 THR 36 -2.724 0.537 10.634 298 H VAL 37 H VAL 37 -2.729 3.221 11.939 299 HA VAL 37 HA VAL 37 -0.327 3.047 10.610 300 HB VAL 37 HB VAL 37 -1.721 5.381 11.843 301 HG11 VAL 37 1HG1 VAL 37 0.252 5.345 9.551 302 HG12 VAL 37 2HG1 VAL 37 0.580 5.851 11.208 303 HG13 VAL 37 3HG1 VAL 37 -0.549 6.776 10.232 304 HG21 VAL 37 3HG2 VAL 37 -3.208 4.205 10.352 305 HG22 VAL 37 1HG2 VAL 37 -1.981 4.201 9.084 306 HG23 VAL 37 2HG2 VAL 37 -2.716 5.719 9.593 307 H ASN 38 H ASN 38 -1.065 4.454 13.800 308 HA ASN 38 HA ASN 38 1.461 5.333 14.499 309 HB2 ASN 38 2HB ASN 38 -0.869 4.446 16.141 310 HB3 ASN 38 1HB ASN 38 0.675 4.700 16.939 311 HD21 ASN 38 2HD2 ASN 38 -1.521 7.843 15.694 312 HD22 ASN 38 1HD2 ASN 38 -1.962 6.231 15.232 313 H ARG 39 H ARG 39 0.076 2.117 15.038 314 HA ARG 39 HA ARG 39 2.050 0.884 16.471 315 HB2 ARG 39 2HB ARG 39 -0.081 -0.067 16.057 316 HB3 ARG 39 1HB ARG 39 0.154 0.018 14.321 317 HG2 ARG 39 2HG ARG 39 2.071 -1.442 14.659 318 HG3 ARG 39 1HG ARG 39 1.459 -1.786 16.282 319 HD2 ARG 39 2HD ARG 39 0.172 -2.286 13.601 320 HD3 ARG 39 1HD ARG 39 0.563 -3.513 14.814 321 HE ARG 39 HE ARG 39 -1.195 -2.264 16.177 322 HH11 ARG 39 1HH1 ARG 39 -1.318 -2.727 12.635 323 HH12 ARG 39 2HH1 ARG 39 -2.999 -2.529 12.529 324 HH21 ARG 39 2HH2 ARG 39 -4.292 -2.049 14.430 325 HH22 ARG 39 1HH2 ARG 39 -3.594 -1.980 15.977 326 H HIS 40 H HIS 40 1.557 1.071 13.057 327 HA HIS 40 HA HIS 40 3.805 -0.519 12.408 328 HB2 HIS 40 2HB HIS 40 1.955 1.138 10.760 329 HB3 HIS 40 1HB HIS 40 3.342 0.348 10.031 330 HD1 HIS 40 HD1 HIS 40 3.086 -2.311 9.653 331 HD2 HIS 40 HD2 HIS 40 -0.048 -0.565 11.789 332 HE1 HIS 40 HE1 HIS 40 1.331 -4.066 9.893 333 H LEU 41 H LEU 41 3.384 2.902 12.635 334 HA LEU 41 HA LEU 41 5.964 3.413 11.458 335 HB2 LEU 41 2HB LEU 41 5.605 5.777 12.057 336 HB3 LEU 41 1HB LEU 41 4.315 5.097 11.095 337 HG LEU 41 HG LEU 41 3.136 4.784 13.385 338 HD11 LEU 41 1HD1 LEU 41 4.968 5.384 14.830 339 HD12 LEU 41 2HD1 LEU 41 3.614 6.494 15.026 340 HD13 LEU 41 3HD1 LEU 41 5.035 6.993 14.107 341 HD21 LEU 41 3HD2 LEU 41 3.468 7.478 12.150 342 HD22 LEU 41 1HD2 LEU 41 2.126 6.903 13.160 343 HD23 LEU 41 2HD2 LEU 41 2.440 6.145 11.585 344 H TYR 42 H TYR 42 4.706 2.855 14.699 345 HA TYR 42 HA TYR 42 6.741 3.847 16.121 346 HB2 TYR 42 2HB TYR 42 4.706 1.789 16.230 347 HB3 TYR 42 1HB TYR 42 5.922 1.672 17.428 348 HD1 TYR 42 HD1 TYR 42 3.173 1.880 18.137 349 HD2 TYR 42 HD2 TYR 42 5.816 5.061 17.205 350 HE1 TYR 42 HE1 TYR 42 1.732 3.441 19.406 351 HE2 TYR 42 HE2 TYR 42 4.405 6.626 18.460 352 HH TYR 42 HH TYR 42 2.006 6.773 19.160 353 H ASN 43 H ASN 43 6.234 0.876 14.421 354 HA ASN 43 HA ASN 43 8.520 -0.577 15.285 355 HB2 ASN 43 2HB ASN 43 7.045 -0.807 12.649 356 HB3 ASN 43 1HB ASN 43 8.146 -1.999 13.319 357 HD21 ASN 43 2HD2 ASN 43 4.525 -2.753 13.941 358 HD22 ASN 43 1HD2 ASN 43 5.353 -2.203 12.524 359 H LEU 44 H LEU 44 7.826 1.469 12.519 360 HA LEU 44 HA LEU 44 10.304 0.998 11.230 361 HB2 LEU 44 2HB LEU 44 8.514 3.358 10.770 362 HB3 LEU 44 1HB LEU 44 9.705 2.690 9.709 363 HG LEU 44 HG LEU 44 7.124 1.349 10.446 364 HD11 LEU 44 1HD1 LEU 44 6.553 1.768 8.119 365 HD12 LEU 44 2HD1 LEU 44 8.053 2.674 7.912 366 HD13 LEU 44 3HD1 LEU 44 6.808 3.262 9.017 367 HD21 LEU 44 3HD2 LEU 44 9.299 0.504 8.529 368 HD22 LEU 44 1HD2 LEU 44 7.734 -0.285 8.723 369 HD23 LEU 44 2HD2 LEU 44 8.890 -0.287 10.051 370 H GLN 45 H GLN 45 9.161 3.440 13.487 371 HA GLN 45 HA GLN 45 11.266 5.251 13.075 372 HB2 GLN 45 2HB GLN 45 9.227 5.840 14.235 373 HB3 GLN 45 1HB GLN 45 9.660 4.779 15.560 374 HG2 GLN 45 2HG GLN 45 11.422 6.101 16.271 375 HG3 GLN 45 1HG GLN 45 11.533 6.950 14.731 376 HE21 GLN 45 2HE2 GLN 45 9.204 9.324 15.479 377 HE22 GLN 45 1HE2 GLN 45 10.179 8.560 14.296 378 H ARG 46 H ARG 46 10.820 2.631 15.453 379 HA ARG 46 HA ARG 46 13.242 2.723 16.726 380 HB2 ARG 46 2HB ARG 46 10.964 0.986 16.307 381 HB3 ARG 46 1HB ARG 46 12.459 0.114 16.595 382 HG2 ARG 46 2HG ARG 46 11.055 0.624 18.560 383 HG3 ARG 46 1HG ARG 46 12.787 1.076 18.584 384 HD2 ARG 46 2HD ARG 46 11.372 2.786 19.677 385 HD3 ARG 46 1HD ARG 46 12.185 3.421 18.265 386 HE ARG 46 HE ARG 46 9.587 2.499 17.610 387 HH11 ARG 46 1HH1 ARG 46 11.308 5.192 19.160 388 HH12 ARG 46 2HH1 ARG 46 10.080 6.334 18.844 389 HH21 ARG 46 2HH2 ARG 46 8.103 5.694 17.785 390 HH22 ARG 46 1HH2 ARG 46 7.887 4.069 17.287 391 H SER 47 H SER 47 12.275 1.275 13.729 392 HA SER 47 HA SER 47 14.788 -0.073 13.361 393 HB2 SER 47 2HB SER 47 12.688 -1.152 12.676 394 HB3 SER 47 1HB SER 47 12.384 0.155 11.537 395 HG SER 47 HG SER 47 14.652 -0.566 10.791 396 H ASN 48 H ASN 48 13.877 3.214 12.903 397 HA ASN 48 HA ASN 48 14.765 4.895 11.834 398 HB2 ASN 48 2HB ASN 48 16.909 2.873 11.383 399 HB3 ASN 48 1HB ASN 48 17.081 4.485 10.675 400 HD21 ASN 48 2HD2 ASN 48 16.965 4.457 14.759 401 HD22 ASN 48 1HD2 ASN 48 15.705 3.694 13.850 402 H GLN 49 H GLN 49 12.875 3.157 10.561 403 HA GLN 49 HA GLN 49 13.658 3.439 7.744 404 HB2 GLN 49 2HB GLN 49 12.880 1.149 8.865 405 HB3 GLN 49 1HB GLN 49 11.275 1.820 8.662 406 HG2 GLN 49 2HG GLN 49 13.229 1.466 6.387 407 HG3 GLN 49 1HG GLN 49 12.059 0.246 6.858 408 HE21 GLN 49 2HE2 GLN 49 9.415 2.733 5.889 409 HE22 GLN 49 1HE2 GLN 49 9.929 2.047 7.391 410 H VAL 50 H VAL 50 11.722 4.559 10.292 411 HA VAL 50 HA VAL 50 10.786 6.632 8.562 412 HB VAL 50 HB VAL 50 8.873 4.788 9.069 413 HG11 VAL 50 1HG1 VAL 50 9.241 4.974 11.517 414 HG12 VAL 50 2HG1 VAL 50 7.555 5.249 11.033 415 HG13 VAL 50 3HG1 VAL 50 8.597 6.610 11.456 416 HG21 VAL 50 3HG2 VAL 50 7.183 6.570 8.875 417 HG22 VAL 50 1HG2 VAL 50 8.523 6.787 7.748 418 HG23 VAL 50 2HG2 VAL 50 8.437 7.766 9.211 419 H PHE 51 H PHE 51 10.742 8.368 9.603 420 HA PHE 51 HA PHE 51 10.590 8.743 12.343 421 HB2 PHE 51 2HB PHE 51 12.948 9.850 12.648 422 HB3 PHE 51 1HB PHE 51 12.821 8.098 12.697 423 HD1 PHE 51 HD1 PHE 51 14.161 6.820 11.483 424 HD2 PHE 51 HD2 PHE 51 13.659 10.863 10.324 425 HE1 PHE 51 HE1 PHE 51 15.902 6.511 9.851 426 HE2 PHE 51 HE2 PHE 51 15.440 10.601 8.632 427 HZ PHE 51 HZ PHE 51 16.580 8.422 8.381 428 H ASN 52 H ASN 52 11.534 11.274 12.692 429 HA ASN 52 HA ASN 52 9.881 12.593 10.715 430 HB2 ASN 52 2HB ASN 52 11.160 13.805 13.144 431 HB3 ASN 52 1HB ASN 52 9.961 14.545 12.119 432 HD21 ASN 52 2HD2 ASN 52 7.203 12.899 13.465 433 HD22 ASN 52 1HD2 ASN 52 7.784 13.879 12.178 434 H SER 53 H SER 53 10.641 14.255 9.424 435 HA SER 53 HA SER 53 13.509 14.412 9.357 436 HB2 SER 53 2HB SER 53 12.939 12.504 7.965 437 HB3 SER 53 1HB SER 53 11.821 13.491 7.032 438 HG SER 53 HG SER 53 14.009 13.118 6.180 439 H ASN 54 H ASN 54 14.093 16.189 9.128 440 HA ASN 54 HA ASN 54 14.716 18.314 8.543 441 HB2 ASN 54 2HB ASN 54 15.641 18.153 6.477 442 HB3 ASN 54 1HB ASN 54 15.149 16.494 6.884 443 HD21 ASN 54 2HD2 ASN 54 12.818 16.161 4.310 444 HD22 ASN 54 1HD2 ASN 54 13.473 15.482 5.759 445 H GLU 55 H GLU 55 11.431 17.821 7.394 446 HA GLU 55 HA GLU 55 11.565 20.425 6.216 447 HB2 GLU 55 2HB GLU 55 9.204 19.889 5.369 448 HB3 GLU 55 1HB GLU 55 10.548 18.990 4.699 449 HG2 GLU 55 2HG GLU 55 9.982 17.201 6.392 450 HG3 GLU 55 1HG GLU 55 8.454 18.067 6.628 451 H LYS 56 H LYS 56 9.031 21.428 6.515 452 HA LYS 56 HA LYS 56 9.633 22.366 9.116 453 HB2 LYS 56 2HB LYS 56 7.650 23.515 7.170 454 HB3 LYS 56 1HB LYS 56 7.932 24.182 8.775 455 HG2 LYS 56 2HG LYS 56 10.172 23.794 6.800 456 HG3 LYS 56 1HG LYS 56 9.183 25.243 6.803 457 HD2 LYS 56 2HD LYS 56 11.297 25.619 8.007 458 HD3 LYS 56 1HD LYS 56 9.933 25.765 9.093 459 HE2 LYS 56 2HE LYS 56 11.915 24.641 10.069 460 HE3 LYS 56 1HE LYS 56 10.494 23.637 10.159 461 HZ1 LYS 56 3HZ LYS 56 12.454 22.374 9.499 462 HZ2 LYS 56 1HZ LYS 56 12.733 23.357 8.160 463 HZ3 LYS 56 2HZ LYS 56 11.369 22.349 8.259 464 HA PRO 57 HA PRO 57 5.824 20.281 10.606 465 HB2 PRO 57 2HB PRO 57 4.863 18.498 8.501 466 HB3 PRO 57 1HB PRO 57 3.930 19.735 9.362 467 HG2 PRO 57 2HG PRO 57 4.509 19.925 6.734 468 HG3 PRO 57 1HG PRO 57 4.295 21.333 7.794 469 HD2 PRO 57 2HD PRO 57 6.829 20.087 6.830 470 HD3 PRO 57 1HD PRO 57 6.404 21.804 7.006 471 HA PRO 58 HA PRO 58 9.166 17.190 10.832 472 HB2 PRO 58 2HB PRO 58 7.455 16.087 13.013 473 HB3 PRO 58 1HB PRO 58 9.170 16.550 13.071 474 HG2 PRO 58 2HG PRO 58 7.355 18.060 14.244 475 HG3 PRO 58 1HG PRO 58 8.727 18.780 13.377 476 HD2 PRO 58 2HD PRO 58 5.878 18.566 12.522 477 HD3 PRO 58 1HD PRO 58 7.049 19.879 12.270 478 H VAL 59 H VAL 59 8.899 15.945 9.025 479 HA VAL 59 HA VAL 59 6.373 14.670 8.482 480 HB VAL 59 HB VAL 59 7.829 15.712 6.741 481 HG11 VAL 59 1HG1 VAL 59 9.989 14.916 7.417 482 HG12 VAL 59 2HG1 VAL 59 9.635 14.386 5.772 483 HG13 VAL 59 3HG1 VAL 59 9.497 13.251 7.117 484 HG21 VAL 59 3HG2 VAL 59 6.049 14.319 5.984 485 HG22 VAL 59 1HG2 VAL 59 6.969 12.867 6.428 486 HG23 VAL 59 2HG2 VAL 59 7.534 13.837 5.113 487 H TRP 60 H TRP 60 5.721 12.668 8.662 488 HA TRP 60 HA TRP 60 7.750 10.791 9.439 489 HB2 TRP 60 2HB TRP 60 4.734 10.455 9.233 490 HB3 TRP 60 1HB TRP 60 5.854 9.197 9.751 491 HD1 TRP 60 HD1 TRP 60 4.724 12.654 10.800 492 HE1 TRP 60 HE1 TRP 60 4.796 12.815 13.414 493 HE3 TRP 60 HE3 TRP 60 6.804 8.149 11.766 494 HZ2 TRP 60 HZ2 TRP 60 5.680 11.192 15.553 495 HZ3 TRP 60 HZ3 TRP 60 7.263 7.511 14.093 496 HH2 TRP 60 HH2 TRP 60 6.714 9.000 15.945 497 H ASP 61 H ASP 61 8.816 10.395 7.900 498 HA ASP 61 HA ASP 61 8.032 9.071 5.524 499 HB2 ASP 61 2HB ASP 61 7.507 11.482 4.949 500 HB3 ASP 61 1HB ASP 61 9.158 11.906 5.336 501 H LEU 62 H LEU 62 10.230 9.365 4.226 502 HA LEU 62 HA LEU 62 12.535 9.136 5.998 503 HB2 LEU 62 2HB LEU 62 11.424 6.998 5.554 504 HB3 LEU 62 1HB LEU 62 11.744 7.159 3.838 505 HG LEU 62 HG LEU 62 14.216 7.091 4.368 506 HD11 LEU 62 1HD1 LEU 62 14.918 6.291 6.556 507 HD12 LEU 62 2HD1 LEU 62 13.257 6.410 7.134 508 HD13 LEU 62 3HD1 LEU 62 14.133 7.865 6.657 509 HD21 LEU 62 3HD2 LEU 62 13.061 5.076 3.639 510 HD22 LEU 62 1HD2 LEU 62 12.625 4.711 5.308 511 HD23 LEU 62 2HD2 LEU 62 14.319 4.698 4.815 512 H MET 63 H MET 63 14.406 8.578 3.639 513 HA MET 63 HA MET 63 13.851 11.045 2.161 514 HB2 MET 63 2HB MET 63 15.997 11.006 3.387 515 HB3 MET 63 1HB MET 63 16.415 9.483 2.620 516 HG2 MET 63 2HG MET 63 17.631 11.256 1.566 517 HG3 MET 63 1HG MET 63 16.434 10.631 0.436 518 HE1 MET 63 3HE MET 63 16.616 14.410 -0.534 519 HE2 MET 63 1HE MET 63 16.714 12.747 -1.112 520 HE3 MET 63 2HE MET 63 17.944 13.372 -0.014 521 H GLU 64 H GLU 64 14.638 7.705 2.111 522 HA GLU 64 HA GLU 64 14.261 7.511 -0.726 523 HB2 GLU 64 2HB GLU 64 15.600 5.385 -0.434 524 HB3 GLU 64 1HB GLU 64 16.380 6.915 -0.008 525 HG2 GLU 64 2HG GLU 64 15.218 5.186 2.140 526 HG3 GLU 64 1HG GLU 64 16.829 4.880 1.500 Start of MODEL 5 1 HA MET 1 HA MET 1 13.856 -10.501 8.509 2 HB2 MET 1 2HB MET 1 13.606 -11.807 10.563 3 HB3 MET 1 1HB MET 1 12.089 -12.470 9.978 4 HG2 MET 1 2HG MET 1 13.289 -13.586 8.151 5 HG3 MET 1 1HG MET 1 14.807 -12.929 8.755 6 HE1 MET 1 2HE MET 1 15.164 -14.789 12.209 7 HE2 MET 1 3HE MET 1 14.420 -13.212 11.955 8 HE3 MET 1 1HE MET 1 15.902 -13.638 11.099 9 H SER 2 H SER 2 10.346 -11.306 8.401 10 HA SER 2 HA SER 2 10.685 -12.575 5.817 11 HB2 SER 2 2HB SER 2 8.273 -12.268 7.606 12 HB3 SER 2 1HB SER 2 8.446 -13.377 6.240 13 HG SER 2 HG SER 2 8.850 -14.433 8.214 14 H ALA 3 H ALA 3 10.989 -9.694 6.136 15 HA ALA 3 HA ALA 3 10.417 -7.689 5.267 16 HB1 ALA 3 1HB ALA 3 9.581 -7.635 2.980 17 HB2 ALA 3 2HB ALA 3 9.019 -9.300 3.116 18 HB3 ALA 3 3HB ALA 3 10.746 -8.951 3.138 19 H GLU 4 H GLU 4 9.133 -8.038 7.292 20 HA GLU 4 HA GLU 4 6.349 -7.907 7.300 21 HB2 GLU 4 2HB GLU 4 8.437 -6.673 9.036 22 HB3 GLU 4 1HB GLU 4 6.738 -6.786 9.518 23 HG2 GLU 4 2HG GLU 4 7.817 -8.510 10.700 24 HG3 GLU 4 1HG GLU 4 7.136 -9.344 9.311 25 H THR 5 H THR 5 8.896 -5.481 7.361 26 HA THR 5 HA THR 5 7.616 -3.084 7.460 27 HB THR 5 HB THR 5 10.115 -3.730 5.903 28 HG1 THR 5 HG1 THR 5 9.627 -3.516 8.696 29 HG21 THR 5 3HG2 THR 5 9.342 -1.346 7.608 30 HG22 THR 5 1HG2 THR 5 9.384 -1.360 5.844 31 HG23 THR 5 2HG2 THR 5 10.876 -1.557 6.764 32 H GLN 6 H GLN 6 7.737 -5.260 4.817 33 HA GLN 6 HA GLN 6 7.410 -3.477 2.673 34 HB2 GLN 6 2HB GLN 6 8.159 -5.515 1.934 35 HB3 GLN 6 1HB GLN 6 7.222 -6.415 3.096 36 HG2 GLN 6 2HG GLN 6 5.931 -5.112 0.714 37 HG3 GLN 6 1HG GLN 6 6.729 -6.676 0.581 38 HE21 GLN 6 2HE2 GLN 6 4.240 -7.879 3.165 39 HE22 GLN 6 1HE2 GLN 6 5.916 -7.517 3.312 40 H MET 7 H MET 7 5.230 -4.633 5.071 41 HA MET 7 HA MET 7 2.819 -4.167 3.631 42 HB2 MET 7 2HB MET 7 3.366 -4.394 6.589 43 HB3 MET 7 1HB MET 7 1.759 -4.163 5.922 44 HG2 MET 7 2HG MET 7 3.559 -6.494 5.326 45 HG3 MET 7 1HG MET 7 2.237 -6.500 6.494 46 HE1 MET 7 3HE MET 7 1.202 -8.640 5.301 47 HE2 MET 7 1HE MET 7 2.523 -8.627 4.133 48 HE3 MET 7 2HE MET 7 0.854 -8.727 3.574 49 H GLU 8 H GLU 8 4.528 -2.395 6.053 50 HA GLU 8 HA GLU 8 2.861 -0.148 6.040 51 HB2 GLU 8 2HB GLU 8 5.758 -0.362 6.824 52 HB3 GLU 8 1HB GLU 8 4.689 0.987 7.169 53 HG2 GLU 8 2HG GLU 8 4.796 -0.172 9.172 54 HG3 GLU 8 1HG GLU 8 3.276 -0.692 8.449 55 H ARG 9 H ARG 9 5.725 -1.070 4.340 56 HA ARG 9 HA ARG 9 6.238 1.514 3.363 57 HB2 ARG 9 2HB ARG 9 7.314 -1.161 2.575 58 HB3 ARG 9 1HB ARG 9 7.669 0.252 1.586 59 HG2 ARG 9 2HG ARG 9 8.188 0.141 4.538 60 HG3 ARG 9 1HG ARG 9 9.387 -0.309 3.319 61 HD2 ARG 9 2HD ARG 9 7.990 2.370 3.323 62 HD3 ARG 9 1HD ARG 9 9.505 2.069 4.166 63 HE ARG 9 HE ARG 9 10.549 1.606 2.094 64 HH11 ARG 9 1HH1 ARG 9 7.270 2.963 1.575 65 HH12 ARG 9 2HH1 ARG 9 7.715 3.660 0.081 66 HH21 ARG 9 2HH2 ARG 9 9.930 3.414 -0.763 67 HH22 ARG 9 1HH2 ARG 9 11.042 2.515 0.181 68 H LYS 10 H LYS 10 4.327 -1.012 2.030 69 HA LYS 10 HA LYS 10 3.992 0.521 -0.375 70 HB2 LYS 10 2HB LYS 10 2.102 -1.084 -0.892 71 HB3 LYS 10 1HB LYS 10 3.693 -1.806 -0.699 72 HG2 LYS 10 2HG LYS 10 3.107 -2.469 1.570 73 HG3 LYS 10 1HG LYS 10 1.516 -1.744 1.364 74 HD2 LYS 10 2HD LYS 10 0.892 -3.342 -0.250 75 HD3 LYS 10 1HD LYS 10 2.556 -3.907 -0.442 76 HE2 LYS 10 2HE LYS 10 1.211 -5.466 0.917 77 HE3 LYS 10 1HE LYS 10 2.563 -4.767 1.803 78 HZ1 LYS 10 3HZ LYS 10 1.071 -3.237 2.863 79 HZ2 LYS 10 1HZ LYS 10 0.606 -4.845 3.120 80 HZ3 LYS 10 2HZ LYS 10 -0.262 -3.887 2.015 81 H ILE 11 H ILE 11 2.265 0.356 2.727 82 HA ILE 11 HA ILE 11 0.097 1.801 1.574 83 HB ILE 11 HB ILE 11 -0.799 1.927 3.853 84 HG12 ILE 11 2HG1 ILE 11 0.451 0.046 5.380 85 HG13 ILE 11 1HG1 ILE 11 1.795 0.747 4.463 86 HG21 ILE 11 1HG2 ILE 11 -1.342 0.095 2.350 87 HG22 ILE 11 2HG2 ILE 11 -1.165 -0.559 4.010 88 HG23 ILE 11 3HG2 ILE 11 0.175 -0.664 2.840 89 HD11 ILE 11 3HD1 ILE 11 1.522 1.768 6.639 90 HD12 ILE 11 1HD1 ILE 11 -0.084 2.354 6.146 91 HD13 ILE 11 2HD1 ILE 11 1.373 2.862 5.260 92 H ILE 12 H ILE 12 2.862 2.599 3.557 93 HA ILE 12 HA ILE 12 1.959 5.281 3.787 94 HB ILE 12 HB ILE 12 3.904 5.872 4.838 95 HG12 ILE 12 2HG1 ILE 12 5.922 3.985 4.599 96 HG13 ILE 12 1HG1 ILE 12 5.245 4.102 2.992 97 HG21 ILE 12 1HG2 ILE 12 2.826 4.359 6.261 98 HG22 ILE 12 2HG2 ILE 12 4.572 4.194 6.456 99 HG23 ILE 12 3HG2 ILE 12 3.671 2.993 5.532 100 HD11 ILE 12 3HD1 ILE 12 6.256 6.497 4.539 101 HD12 ILE 12 1HD1 ILE 12 5.458 6.555 2.977 102 HD13 ILE 12 2HD1 ILE 12 7.014 5.760 3.122 103 H ASP 13 H ASP 13 3.595 3.433 1.370 104 HA ASP 13 HA ASP 13 4.870 5.754 0.258 105 HB2 ASP 13 2HB ASP 13 5.516 3.231 -0.151 106 HB3 ASP 13 1HB ASP 13 4.402 3.393 -1.513 107 H PHE 14 H PHE 14 1.878 4.076 -0.268 108 HA PHE 14 HA PHE 14 0.881 5.529 -2.408 109 HB2 PHE 14 2HB PHE 14 -0.337 3.641 -1.542 110 HB3 PHE 14 1HB PHE 14 -0.407 4.349 0.063 111 HD1 PHE 14 HD1 PHE 14 -1.751 4.509 -3.339 112 HD2 PHE 14 HD2 PHE 14 -2.029 5.899 0.636 113 HE1 PHE 14 HE1 PHE 14 -3.968 5.482 -3.856 114 HE2 PHE 14 HE2 PHE 14 -4.233 6.884 0.176 115 HZ PHE 14 HZ PHE 14 -5.218 6.676 -2.092 116 H LEU 15 H LEU 15 0.611 6.178 1.134 117 HA LEU 15 HA LEU 15 -0.508 8.664 0.937 118 HB2 LEU 15 2HB LEU 15 -0.841 7.790 2.833 119 HB3 LEU 15 1HB LEU 15 0.614 6.824 2.897 120 HG LEU 15 HG LEU 15 0.298 8.241 4.758 121 HD11 LEU 15 1HD1 LEU 15 2.694 9.119 3.174 122 HD12 LEU 15 2HD1 LEU 15 2.580 7.757 4.288 123 HD13 LEU 15 3HD1 LEU 15 2.487 9.407 4.904 124 HD21 LEU 15 3HD2 LEU 15 0.374 10.540 2.859 125 HD22 LEU 15 1HD2 LEU 15 0.564 10.742 4.609 126 HD23 LEU 15 2HD2 LEU 15 -0.932 10.067 3.965 127 H ARG 16 H ARG 16 2.771 7.635 0.874 128 HA ARG 16 HA ARG 16 4.165 9.938 1.308 129 HB2 ARG 16 2HB ARG 16 5.219 7.828 1.150 130 HB3 ARG 16 1HB ARG 16 4.626 7.607 -0.489 131 HG2 ARG 16 2HG ARG 16 6.021 9.312 -1.281 132 HG3 ARG 16 1HG ARG 16 6.555 9.670 0.363 133 HD2 ARG 16 2HD ARG 16 7.320 7.238 0.468 134 HD3 ARG 16 1HD ARG 16 6.994 7.155 -1.251 135 HE ARG 16 HE ARG 16 8.676 9.317 -0.828 136 HH11 ARG 16 1HH1 ARG 16 8.740 5.767 -0.880 137 HH12 ARG 16 2HH1 ARG 16 10.473 5.718 -0.796 138 HH21 ARG 16 2HH2 ARG 16 11.764 7.589 -0.918 139 HH22 ARG 16 1HH2 ARG 16 11.083 9.146 -0.903 140 H GLN 17 H GLN 17 3.059 8.550 -1.588 141 HA GLN 17 HA GLN 17 3.774 10.675 -3.326 142 HB2 GLN 17 2HB GLN 17 2.156 8.185 -3.682 143 HB3 GLN 17 1HB GLN 17 2.281 9.374 -4.972 144 HG2 GLN 17 2HG GLN 17 4.669 9.108 -5.075 145 HG3 GLN 17 1HG GLN 17 4.654 8.079 -3.646 146 HE21 GLN 17 2HE2 GLN 17 3.984 5.183 -5.400 147 HE22 GLN 17 1HE2 GLN 17 4.282 5.926 -3.880 148 H ASN 18 H ASN 18 0.984 10.138 -1.325 149 HA ASN 18 HA ASN 18 -0.511 12.169 -2.798 150 HB2 ASN 18 2HB ASN 18 -1.140 10.710 -0.198 151 HB3 ASN 18 1HB ASN 18 -2.174 11.955 -0.878 152 HD21 ASN 18 2HD2 ASN 18 -1.874 8.727 -3.328 153 HD22 ASN 18 1HD2 ASN 18 -0.490 9.634 -2.845 154 H GLY 19 H GLY 19 1.292 11.724 0.076 155 HA2 GLY 19 2HA GLY 19 2.682 13.969 0.246 156 HA3 GLY 19 1HA GLY 19 1.123 14.488 0.872 157 H LYS 20 H LYS 20 3.842 12.122 1.447 158 HA LYS 20 HA LYS 20 3.286 11.165 3.866 159 HB2 LYS 20 2HB LYS 20 5.806 11.421 4.298 160 HB3 LYS 20 1HB LYS 20 5.336 10.532 2.867 161 HG2 LYS 20 2HG LYS 20 7.074 11.862 2.097 162 HG3 LYS 20 1HG LYS 20 5.654 12.802 1.644 163 HD2 LYS 20 2HD LYS 20 5.955 14.175 3.665 164 HD3 LYS 20 1HD LYS 20 7.388 13.230 4.069 165 HE2 LYS 20 2HE LYS 20 8.216 13.921 1.727 166 HE3 LYS 20 1HE LYS 20 6.967 15.161 1.824 167 HZ1 LYS 20 3HZ LYS 20 9.128 15.993 2.640 168 HZ2 LYS 20 1HZ LYS 20 9.188 14.722 3.717 169 HZ3 LYS 20 2HZ LYS 20 8.060 15.988 3.925 170 H SER 21 H SER 21 3.734 11.873 6.120 171 HA SER 21 HA SER 21 3.632 14.640 6.703 172 HB2 SER 21 2HB SER 21 1.625 14.504 5.208 173 HB3 SER 21 1HB SER 21 0.925 13.317 6.296 174 HG SER 21 HG SER 21 1.184 16.049 6.513 175 H ILE 22 H ILE 22 1.496 14.393 8.550 176 HA ILE 22 HA ILE 22 2.969 13.137 10.656 177 HB ILE 22 HB ILE 22 1.228 14.006 12.190 178 HG12 ILE 22 2HG1 ILE 22 0.047 15.238 9.681 179 HG13 ILE 22 1HG1 ILE 22 -0.678 13.929 10.603 180 HG21 ILE 22 1HG2 ILE 22 2.431 16.016 10.289 181 HG22 ILE 22 2HG2 ILE 22 3.204 15.323 11.715 182 HG23 ILE 22 3HG2 ILE 22 1.806 16.382 11.897 183 HD11 ILE 22 3HD1 ILE 22 -0.198 16.737 11.584 184 HD12 ILE 22 1HD1 ILE 22 -0.934 15.432 12.517 185 HD13 ILE 22 2HD1 ILE 22 -1.746 16.057 11.081 186 H ALA 23 H ALA 23 1.719 11.949 12.329 187 HA ALA 23 HA ALA 23 1.032 9.405 11.412 188 HB1 ALA 23 1HB ALA 23 2.031 9.919 13.580 189 HB2 ALA 23 2HB ALA 23 0.536 8.966 13.749 190 HB3 ALA 23 3HB ALA 23 0.515 10.721 14.006 191 H LEU 24 H LEU 24 -0.870 12.098 11.687 192 HA LEU 24 HA LEU 24 -3.381 10.704 12.111 193 HB2 LEU 24 2HB LEU 24 -3.289 12.865 13.043 194 HB3 LEU 24 1HB LEU 24 -2.655 13.561 11.566 195 HG LEU 24 HG LEU 24 -4.809 13.169 10.467 196 HD11 LEU 24 1HD1 LEU 24 -6.778 12.589 11.805 197 HD12 LEU 24 2HD1 LEU 24 -5.699 12.195 13.164 198 HD13 LEU 24 3HD1 LEU 24 -5.579 11.309 11.633 199 HD21 LEU 24 3HD2 LEU 24 -4.290 15.271 11.466 200 HD22 LEU 24 1HD2 LEU 24 -4.952 14.754 13.018 201 HD23 LEU 24 2HD2 LEU 24 -6.024 14.937 11.616 202 H THR 25 H THR 25 -1.792 12.503 9.589 203 HA THR 25 HA THR 25 -3.702 12.542 7.626 204 HB THR 25 HB THR 25 -0.746 12.284 7.219 205 HG1 THR 25 HG1 THR 25 -0.662 14.462 7.640 206 HG21 THR 25 3HG2 THR 25 -1.175 13.580 5.192 207 HG22 THR 25 1HG2 THR 25 -2.891 13.709 5.629 208 HG23 THR 25 2HG2 THR 25 -2.216 12.144 5.239 209 H ILE 26 H ILE 26 -1.162 10.181 8.047 210 HA ILE 26 HA ILE 26 -1.520 8.618 5.809 211 HB ILE 26 HB ILE 26 -1.005 7.287 8.499 212 HG12 ILE 26 2HG1 ILE 26 0.994 8.710 6.670 213 HG13 ILE 26 1HG1 ILE 26 0.462 9.316 8.227 214 HG21 ILE 26 1HG2 ILE 26 0.333 5.766 7.088 215 HG22 ILE 26 2HG2 ILE 26 -0.278 6.637 5.660 216 HG23 ILE 26 3HG2 ILE 26 -1.394 5.798 6.720 217 HD11 ILE 26 3HD1 ILE 26 2.000 6.771 7.776 218 HD12 ILE 26 1HD1 ILE 26 1.494 7.423 9.335 219 HD13 ILE 26 2HD1 ILE 26 2.661 8.305 8.353 220 H ALA 27 H ALA 27 -3.292 8.373 8.839 221 HA ALA 27 HA ALA 27 -4.818 6.097 8.223 222 HB1 ALA 27 1HB ALA 27 -6.206 6.746 10.099 223 HB2 ALA 27 2HB ALA 27 -5.498 8.362 10.085 224 HB3 ALA 27 3HB ALA 27 -4.499 6.968 10.494 225 H LYS 28 H LYS 28 -5.353 9.612 7.468 226 HA LYS 28 HA LYS 28 -7.995 9.254 6.820 227 HB2 LYS 28 2HB LYS 28 -7.244 11.277 7.760 228 HB3 LYS 28 1HB LYS 28 -5.861 11.354 6.680 229 HG2 LYS 28 2HG LYS 28 -7.165 11.628 4.924 230 HG3 LYS 28 1HG LYS 28 -8.693 11.541 5.847 231 HD2 LYS 28 2HD LYS 28 -8.301 13.938 5.532 232 HD3 LYS 28 1HD LYS 28 -7.754 13.581 7.167 233 HE2 LYS 28 2HE LYS 28 -6.115 15.000 6.127 234 HE3 LYS 28 1HE LYS 28 -5.418 13.388 6.255 235 HZ1 LYS 28 3HZ LYS 28 -6.517 14.612 3.734 236 HZ2 LYS 28 1HZ LYS 28 -6.039 13.016 3.913 237 HZ3 LYS 28 2HZ LYS 28 -4.914 14.112 4.060 238 H GLU 29 H GLU 29 -4.871 9.142 5.182 239 HA GLU 29 HA GLU 29 -6.027 9.509 2.571 240 HB2 GLU 29 2HB GLU 29 -3.248 8.473 3.072 241 HB3 GLU 29 1HB GLU 29 -3.838 9.383 1.694 242 HG2 GLU 29 2HG GLU 29 -3.261 10.390 4.472 243 HG3 GLU 29 1HG GLU 29 -2.434 10.773 2.987 244 H ILE 30 H ILE 30 -4.962 6.855 4.519 245 HA ILE 30 HA ILE 30 -5.481 5.063 2.276 246 HB ILE 30 HB ILE 30 -4.617 3.219 3.680 247 HG12 ILE 30 2HG1 ILE 30 -4.038 5.410 5.690 248 HG13 ILE 30 1HG1 ILE 30 -5.166 4.083 5.911 249 HG21 ILE 30 1HG2 ILE 30 -3.121 4.369 2.172 250 HG22 ILE 30 2HG2 ILE 30 -2.249 3.928 3.641 251 HG23 ILE 30 3HG2 ILE 30 -2.778 5.592 3.395 252 HD11 ILE 30 3HD1 ILE 30 -2.170 3.871 5.668 253 HD12 ILE 30 1HD1 ILE 30 -3.273 2.507 5.832 254 HD13 ILE 30 2HD1 ILE 30 -3.125 3.680 7.140 255 H GLY 31 H GLY 31 -7.125 6.384 4.798 256 HA2 GLY 31 2HA GLY 31 -9.253 6.098 5.566 257 HA3 GLY 31 1HA GLY 31 -9.492 4.940 4.267 258 H LEU 32 H LEU 32 -7.035 4.619 6.705 259 HA LEU 32 HA LEU 32 -8.494 2.250 7.664 260 HB2 LEU 32 2HB LEU 32 -5.488 2.534 7.642 261 HB3 LEU 32 1HB LEU 32 -6.397 1.122 8.112 262 HG LEU 32 HG LEU 32 -5.908 2.208 5.359 263 HD11 LEU 32 1HD1 LEU 32 -5.420 -0.492 6.569 264 HD12 LEU 32 2HD1 LEU 32 -4.213 0.753 6.282 265 HD13 LEU 32 3HD1 LEU 32 -5.035 -0.009 4.917 266 HD21 LEU 32 3HD2 LEU 32 -7.957 0.127 6.133 267 HD22 LEU 32 1HD2 LEU 32 -7.383 0.452 4.481 268 HD23 LEU 32 2HD2 LEU 32 -8.209 1.717 5.377 269 H ASP 33 H ASP 33 -7.587 1.527 9.819 270 HA ASP 33 HA ASP 33 -8.202 3.406 11.774 271 HB2 ASP 33 2HB ASP 33 -8.543 1.218 12.453 272 HB3 ASP 33 1HB ASP 33 -6.999 0.670 11.814 273 H LYS 34 H LYS 34 -7.075 4.672 13.085 274 HA LYS 34 HA LYS 34 -4.490 5.492 12.133 275 HB2 LYS 34 2HB LYS 34 -4.624 7.364 13.639 276 HB3 LYS 34 1HB LYS 34 -6.158 7.178 12.825 277 HG2 LYS 34 2HG LYS 34 -7.285 6.877 14.740 278 HG3 LYS 34 1HG LYS 34 -6.081 5.747 15.363 279 HD2 LYS 34 2HD LYS 34 -5.766 8.762 15.362 280 HD3 LYS 34 1HD LYS 34 -6.296 7.812 16.752 281 HE2 LYS 34 2HE LYS 34 -4.184 6.588 16.744 282 HE3 LYS 34 1HE LYS 34 -3.639 7.466 15.329 283 HZ1 LYS 34 3HZ LYS 34 -2.629 8.363 17.225 284 HZ2 LYS 34 1HZ LYS 34 -4.101 8.580 18.046 285 HZ3 LYS 34 2HZ LYS 34 -3.737 9.513 16.679 286 H SER 35 H SER 35 -5.576 3.277 14.501 287 HA SER 35 HA SER 35 -3.430 3.703 16.366 288 HB2 SER 35 2HB SER 35 -5.580 2.667 17.114 289 HB3 SER 35 1HB SER 35 -5.329 1.340 15.986 290 HG SER 35 HG SER 35 -4.524 1.535 18.470 291 H THR 36 H THR 36 -4.346 1.522 13.779 292 HA THR 36 HA THR 36 -2.205 -0.022 13.561 293 HB THR 36 HB THR 36 -4.301 1.116 11.797 294 HG1 THR 36 HG1 THR 36 -5.147 -0.277 13.116 295 HG21 THR 36 3HG2 THR 36 -2.290 -0.965 11.073 296 HG22 THR 36 1HG2 THR 36 -2.473 0.696 10.457 297 HG23 THR 36 2HG2 THR 36 -3.770 -0.497 10.149 298 H VAL 37 H VAL 37 -2.799 3.122 11.769 299 HA VAL 37 HA VAL 37 -0.422 3.339 10.492 300 HB VAL 37 HB VAL 37 -2.229 5.329 11.774 301 HG11 VAL 37 1HG1 VAL 37 -0.030 6.335 11.466 302 HG12 VAL 37 2HG1 VAL 37 -1.219 7.066 10.416 303 HG13 VAL 37 3HG1 VAL 37 -0.048 5.894 9.755 304 HG21 VAL 37 3HG2 VAL 37 -1.967 4.391 8.929 305 HG22 VAL 37 1HG2 VAL 37 -3.030 5.691 9.462 306 HG23 VAL 37 2HG2 VAL 37 -3.288 4.048 10.045 307 H ASN 38 H ASN 38 -1.231 4.580 13.712 308 HA ASN 38 HA ASN 38 1.258 5.814 14.193 309 HB2 ASN 38 2HB ASN 38 -0.929 4.885 16.046 310 HB3 ASN 38 1HB ASN 38 0.530 5.645 16.656 311 HD21 ASN 38 2HD2 ASN 38 -1.401 8.159 14.067 312 HD22 ASN 38 1HD2 ASN 38 -0.783 6.626 13.621 313 H ARG 39 H ARG 39 0.066 2.636 14.972 314 HA ARG 39 HA ARG 39 2.163 1.666 16.526 315 HB2 ARG 39 2HB ARG 39 0.008 0.655 16.357 316 HB3 ARG 39 1HB ARG 39 0.172 0.496 14.623 317 HG2 ARG 39 2HG ARG 39 2.038 -0.950 15.020 318 HG3 ARG 39 1HG ARG 39 1.627 -0.986 16.743 319 HD2 ARG 39 2HD ARG 39 0.054 -1.964 14.358 320 HD3 ARG 39 1HD ARG 39 0.479 -2.895 15.802 321 HE ARG 39 HE ARG 39 -1.107 -1.238 16.943 322 HH11 ARG 39 1HH1 ARG 39 -1.580 -2.553 13.654 323 HH12 ARG 39 2HH1 ARG 39 -3.231 -2.144 13.581 324 HH21 ARG 39 2HH2 ARG 39 -4.315 -1.111 15.406 325 HH22 ARG 39 1HH2 ARG 39 -3.472 -0.693 16.807 326 H HIS 40 H HIS 40 1.436 1.411 13.165 327 HA HIS 40 HA HIS 40 3.720 -0.149 12.613 328 HB2 HIS 40 2HB HIS 40 1.647 1.097 10.894 329 HB3 HIS 40 1HB HIS 40 3.062 0.366 10.171 330 HD1 HIS 40 HD1 HIS 40 3.188 -2.354 10.342 331 HD2 HIS 40 HD2 HIS 40 -0.154 -0.638 12.161 332 HE1 HIS 40 HE1 HIS 40 1.657 -4.237 10.931 333 H LEU 41 H LEU 41 3.187 3.232 12.449 334 HA LEU 41 HA LEU 41 5.591 3.697 10.957 335 HB2 LEU 41 2HB LEU 41 5.273 6.106 11.491 336 HB3 LEU 41 1HB LEU 41 3.902 5.362 10.705 337 HG LEU 41 HG LEU 41 2.986 5.157 13.134 338 HD11 LEU 41 1HD1 LEU 41 4.911 7.402 13.533 339 HD12 LEU 41 2HD1 LEU 41 4.915 5.836 14.346 340 HD13 LEU 41 3HD1 LEU 41 3.583 6.962 14.606 341 HD21 LEU 41 3HD2 LEU 41 2.001 6.393 11.395 342 HD22 LEU 41 1HD2 LEU 41 3.107 7.750 11.646 343 HD23 LEU 41 2HD2 LEU 41 1.935 7.315 12.906 344 H TYR 42 H TYR 42 4.749 3.410 14.385 345 HA TYR 42 HA TYR 42 7.038 4.471 15.298 346 HB2 TYR 42 2HB TYR 42 4.823 2.896 16.123 347 HB3 TYR 42 1HB TYR 42 6.221 2.567 17.072 348 HD1 TYR 42 HD1 TYR 42 7.435 5.200 17.229 349 HD2 TYR 42 HD2 TYR 42 3.390 4.131 17.289 350 HE1 TYR 42 HE1 TYR 42 6.946 7.297 18.484 351 HE2 TYR 42 HE2 TYR 42 2.817 6.215 18.540 352 HH TYR 42 HH TYR 42 3.942 7.840 19.989 353 H ASN 43 H ASN 43 6.125 1.386 14.150 354 HA ASN 43 HA ASN 43 8.365 -0.186 14.934 355 HB2 ASN 43 2HB ASN 43 6.654 -0.537 12.461 356 HB3 ASN 43 1HB ASN 43 7.731 -1.745 13.144 357 HD21 ASN 43 2HD2 ASN 43 4.147 -2.145 14.150 358 HD22 ASN 43 1HD2 ASN 43 4.896 -1.805 12.622 359 H LEU 44 H LEU 44 7.636 1.640 12.029 360 HA LEU 44 HA LEU 44 9.992 0.976 10.614 361 HB2 LEU 44 2HB LEU 44 8.420 3.522 10.315 362 HB3 LEU 44 1HB LEU 44 9.429 2.752 9.137 363 HG LEU 44 HG LEU 44 6.825 1.619 10.121 364 HD11 LEU 44 1HD1 LEU 44 6.534 3.654 8.809 365 HD12 LEU 44 2HD1 LEU 44 5.982 2.236 7.925 366 HD13 LEU 44 3HD1 LEU 44 7.534 2.974 7.525 367 HD21 LEU 44 3HD2 LEU 44 8.660 0.751 7.896 368 HD22 LEU 44 1HD2 LEU 44 7.100 0.034 8.295 369 HD23 LEU 44 2HD2 LEU 44 8.439 -0.087 9.434 370 H GLN 45 H GLN 45 9.118 3.586 12.795 371 HA GLN 45 HA GLN 45 11.387 5.176 12.533 372 HB2 GLN 45 2HB GLN 45 9.417 5.885 13.674 373 HB3 GLN 45 1HB GLN 45 9.696 4.727 14.958 374 HG2 GLN 45 2HG GLN 45 11.585 5.823 15.762 375 HG3 GLN 45 1HG GLN 45 11.786 6.752 14.281 376 HE21 GLN 45 2HE2 GLN 45 9.691 9.278 15.173 377 HE22 GLN 45 1HE2 GLN 45 10.629 8.501 13.962 378 H ARG 46 H ARG 46 10.741 2.347 14.435 379 HA ARG 46 HA ARG 46 12.959 2.366 16.210 380 HB2 ARG 46 2HB ARG 46 11.676 -0.102 15.017 381 HB3 ARG 46 1HB ARG 46 12.697 -0.063 16.432 382 HG2 ARG 46 2HG ARG 46 9.911 1.038 16.155 383 HG3 ARG 46 1HG ARG 46 10.408 -0.378 17.074 384 HD2 ARG 46 2HD ARG 46 10.316 1.129 18.782 385 HD3 ARG 46 1HD ARG 46 11.965 1.417 18.208 386 HE ARG 46 HE ARG 46 10.027 3.028 16.899 387 HH11 ARG 46 1HH1 ARG 46 12.140 2.818 19.731 388 HH12 ARG 46 2HH1 ARG 46 12.086 4.472 20.122 389 HH21 ARG 46 2HH2 ARG 46 10.770 5.974 18.759 390 HH22 ARG 46 1HH2 ARG 46 9.919 5.392 17.450 391 H SER 47 H SER 47 12.597 1.357 12.967 392 HA SER 47 HA SER 47 15.257 0.189 12.901 393 HB2 SER 47 2HB SER 47 13.388 -1.143 12.025 394 HB3 SER 47 1HB SER 47 13.027 0.124 10.858 395 HG SER 47 HG SER 47 15.340 -0.244 10.227 396 H ASN 48 H ASN 48 14.171 3.349 12.581 397 HA ASN 48 HA ASN 48 14.781 5.127 11.499 398 HB2 ASN 48 2HB ASN 48 17.211 3.431 11.031 399 HB3 ASN 48 1HB ASN 48 17.150 5.099 10.452 400 HD21 ASN 48 2HD2 ASN 48 17.741 4.240 14.356 401 HD22 ASN 48 1HD2 ASN 48 17.354 3.006 13.202 402 H GLN 49 H GLN 49 13.088 3.373 10.183 403 HA GLN 49 HA GLN 49 13.883 3.383 7.373 404 HB2 GLN 49 2HB GLN 49 12.793 1.380 8.490 405 HB3 GLN 49 1HB GLN 49 11.394 2.364 8.815 406 HG2 GLN 49 2HG GLN 49 12.379 1.458 6.100 407 HG3 GLN 49 1HG GLN 49 10.998 0.818 6.979 408 HE21 GLN 49 2HE2 GLN 49 10.668 4.081 4.713 409 HE22 GLN 49 1HE2 GLN 49 12.127 3.160 4.841 410 H VAL 50 H VAL 50 11.476 4.482 9.669 411 HA VAL 50 HA VAL 50 11.056 6.866 8.051 412 HB VAL 50 HB VAL 50 9.107 5.058 8.288 413 HG11 VAL 50 1HG1 VAL 50 8.705 6.743 10.755 414 HG12 VAL 50 2HG1 VAL 50 9.350 5.141 10.767 415 HG13 VAL 50 3HG1 VAL 50 7.651 5.414 10.227 416 HG21 VAL 50 3HG2 VAL 50 8.644 8.019 8.617 417 HG22 VAL 50 1HG2 VAL 50 7.420 6.852 8.114 418 HG23 VAL 50 2HG2 VAL 50 8.835 7.141 7.098 419 H PHE 51 H PHE 51 10.699 8.552 9.332 420 HA PHE 51 HA PHE 51 10.638 8.674 12.095 421 HB2 PHE 51 2HB PHE 51 12.955 9.932 12.404 422 HB3 PHE 51 1HB PHE 51 12.889 8.176 12.410 423 HD1 PHE 51 HD1 PHE 51 14.249 6.990 11.160 424 HD2 PHE 51 HD2 PHE 51 13.552 11.019 10.059 425 HE1 PHE 51 HE1 PHE 51 15.936 6.755 9.475 426 HE2 PHE 51 HE2 PHE 51 15.284 10.837 8.303 427 HZ PHE 51 HZ PHE 51 16.495 8.698 7.995 428 H ASN 52 H ASN 52 11.564 11.241 12.645 429 HA ASN 52 HA ASN 52 9.739 12.736 10.903 430 HB2 ASN 52 2HB ASN 52 10.913 13.619 13.490 431 HB3 ASN 52 1HB ASN 52 9.641 14.380 12.594 432 HD21 ASN 52 2HD2 ASN 52 7.041 12.390 13.718 433 HD22 ASN 52 1HD2 ASN 52 7.535 13.652 12.653 434 H SER 53 H SER 53 10.455 14.462 9.801 435 HA SER 53 HA SER 53 13.209 15.355 10.134 436 HB2 SER 53 2HB SER 53 13.279 13.078 9.063 437 HB3 SER 53 1HB SER 53 12.420 13.810 7.706 438 HG SER 53 HG SER 53 14.619 13.786 7.261 439 H ASN 54 H ASN 54 13.728 16.192 7.761 440 HA ASN 54 HA ASN 54 13.742 17.717 6.112 441 HB2 ASN 54 2HB ASN 54 12.768 15.897 5.013 442 HB3 ASN 54 1HB ASN 54 11.170 16.275 5.625 443 HD21 ASN 54 2HD2 ASN 54 10.410 18.519 3.057 444 HD22 ASN 54 1HD2 ASN 54 9.874 17.776 4.502 445 H GLU 55 H GLU 55 11.105 18.487 8.268 446 HA GLU 55 HA GLU 55 11.050 21.083 7.038 447 HB2 GLU 55 2HB GLU 55 8.507 20.889 6.683 448 HB3 GLU 55 1HB GLU 55 9.581 20.137 5.513 449 HG2 GLU 55 2HG GLU 55 9.301 18.012 6.820 450 HG3 GLU 55 1HG GLU 55 7.933 18.780 7.645 451 H LYS 56 H LYS 56 9.155 22.378 7.999 452 HA LYS 56 HA LYS 56 9.820 22.798 10.677 453 HB2 LYS 56 2HB LYS 56 7.393 23.877 9.197 454 HB3 LYS 56 1HB LYS 56 7.924 24.406 10.784 455 HG2 LYS 56 2HG LYS 56 10.018 25.206 9.833 456 HG3 LYS 56 1HG LYS 56 9.527 24.627 8.243 457 HD2 LYS 56 2HD LYS 56 9.151 27.027 8.412 458 HD3 LYS 56 1HD LYS 56 7.609 26.185 8.291 459 HE2 LYS 56 2HE LYS 56 7.304 26.393 10.719 460 HE3 LYS 56 1HE LYS 56 8.863 27.208 10.848 461 HZ1 LYS 56 3HZ LYS 56 6.491 28.203 9.357 462 HZ2 LYS 56 1HZ LYS 56 7.986 28.993 9.462 463 HZ3 LYS 56 2HZ LYS 56 7.041 28.781 10.847 464 HA PRO 57 HA PRO 57 6.169 20.293 12.141 465 HB2 PRO 57 2HB PRO 57 4.816 18.895 10.010 466 HB3 PRO 57 1HB PRO 57 4.129 20.154 11.052 467 HG2 PRO 57 2HG PRO 57 4.537 20.451 8.367 468 HG3 PRO 57 1HG PRO 57 4.439 21.789 9.530 469 HD2 PRO 57 2HD PRO 57 6.851 20.521 8.329 470 HD3 PRO 57 1HD PRO 57 6.526 22.230 8.678 471 HA PRO 58 HA PRO 58 9.348 17.081 11.572 472 HB2 PRO 58 2HB PRO 58 8.283 15.472 13.640 473 HB3 PRO 58 1HB PRO 58 9.562 16.692 13.837 474 HG2 PRO 58 2HG PRO 58 6.675 16.883 14.417 475 HG3 PRO 58 1HG PRO 58 8.049 17.661 15.223 476 HD2 PRO 58 2HD PRO 58 6.427 19.015 13.609 477 HD3 PRO 58 1HD PRO 58 8.166 19.372 13.688 478 H VAL 59 H VAL 59 8.909 16.021 9.671 479 HA VAL 59 HA VAL 59 6.286 14.884 9.257 480 HB VAL 59 HB VAL 59 7.376 16.233 7.536 481 HG11 VAL 59 1HG1 VAL 59 9.403 14.060 7.376 482 HG12 VAL 59 2HG1 VAL 59 9.661 15.749 7.810 483 HG13 VAL 59 3HG1 VAL 59 9.181 15.316 6.165 484 HG21 VAL 59 3HG2 VAL 59 5.692 14.641 6.777 485 HG22 VAL 59 1HG2 VAL 59 6.915 13.365 6.720 486 HG23 VAL 59 2HG2 VAL 59 7.029 14.694 5.610 487 H TRP 60 H TRP 60 5.706 12.830 9.284 488 HA TRP 60 HA TRP 60 7.806 10.927 9.656 489 HB2 TRP 60 2HB TRP 60 4.813 10.525 9.319 490 HB3 TRP 60 1HB TRP 60 5.969 9.228 9.632 491 HD1 TRP 60 HD1 TRP 60 4.533 12.293 11.209 492 HE1 TRP 60 HE1 TRP 60 4.667 12.074 13.842 493 HE3 TRP 60 HE3 TRP 60 7.242 8.063 11.452 494 HZ2 TRP 60 HZ2 TRP 60 5.846 10.303 15.684 495 HZ3 TRP 60 HZ3 TRP 60 7.875 7.153 13.645 496 HH2 TRP 60 HH2 TRP 60 7.194 8.251 15.717 497 H ASP 61 H ASP 61 8.897 10.828 8.172 498 HA ASP 61 HA ASP 61 8.056 10.438 5.411 499 HB2 ASP 61 2HB ASP 61 8.547 12.900 5.890 500 HB3 ASP 61 1HB ASP 61 10.176 12.397 6.291 501 H LEU 62 H LEU 62 10.117 10.136 4.353 502 HA LEU 62 HA LEU 62 11.835 8.451 6.009 503 HB2 LEU 62 2HB LEU 62 11.554 6.453 4.763 504 HB3 LEU 62 1HB LEU 62 10.011 7.151 5.234 505 HG LEU 62 HG LEU 62 11.115 7.353 2.410 506 HD11 LEU 62 1HD1 LEU 62 9.568 5.578 1.824 507 HD12 LEU 62 2HD1 LEU 62 9.092 5.426 3.514 508 HD13 LEU 62 3HD1 LEU 62 10.729 5.016 3.029 509 HD21 LEU 62 3HD2 LEU 62 8.823 7.917 1.805 510 HD22 LEU 62 1HD2 LEU 62 9.429 9.054 3.007 511 HD23 LEU 62 2HD2 LEU 62 8.318 7.770 3.489 512 H MET 63 H MET 63 13.555 7.324 4.475 513 HA MET 63 HA MET 63 14.702 9.468 2.793 514 HB2 MET 63 2HB MET 63 15.721 9.178 5.118 515 HB3 MET 63 1HB MET 63 16.171 7.559 4.593 516 HG2 MET 63 2HG MET 63 17.636 8.463 2.887 517 HG3 MET 63 1HG MET 63 17.127 10.104 3.274 518 HE1 MET 63 3HE MET 63 17.788 11.367 5.538 519 HE2 MET 63 1HE MET 63 18.686 10.607 6.850 520 HE3 MET 63 2HE MET 63 17.055 10.063 6.470 521 H GLU 64 H GLU 64 13.078 7.132 2.196 522 HA GLU 64 HA GLU 64 14.965 5.445 0.717 523 HB2 GLU 64 2HB GLU 64 14.080 4.538 2.885 524 HB3 GLU 64 1HB GLU 64 12.475 4.606 2.195 525 HG2 GLU 64 2HG GLU 64 13.365 3.064 0.370 526 HG3 GLU 64 1HG GLU 64 14.757 2.814 1.432 Start of MODEL 6 1 HA MET 1 HA MET 1 5.525 -10.393 3.179 2 HB2 MET 1 2HB MET 1 4.298 -13.051 2.377 3 HB3 MET 1 1HB MET 1 4.720 -12.623 4.026 4 HG2 MET 1 2HG MET 1 3.099 -10.809 3.986 5 HG3 MET 1 1HG MET 1 2.701 -11.191 2.311 6 HE1 MET 1 2HE MET 1 0.544 -10.964 4.699 7 HE2 MET 1 3HE MET 1 -0.487 -12.341 4.311 8 HE3 MET 1 1HE MET 1 0.120 -11.303 3.021 9 H SER 2 H SER 2 7.454 -10.757 4.033 10 HA SER 2 HA SER 2 9.005 -13.015 3.854 11 HB2 SER 2 2HB SER 2 9.338 -12.367 1.442 12 HB3 SER 2 1HB SER 2 9.872 -10.773 1.957 13 HG SER 2 HG SER 2 11.163 -13.168 2.747 14 H ALA 3 H ALA 3 9.488 -9.530 3.528 15 HA ALA 3 HA ALA 3 10.572 -9.398 6.276 16 HB1 ALA 3 1HB ALA 3 11.002 -7.546 3.917 17 HB2 ALA 3 2HB ALA 3 12.180 -8.728 4.488 18 HB3 ALA 3 3HB ALA 3 11.714 -7.378 5.522 19 H GLU 4 H GLU 4 10.252 -7.150 7.082 20 HA GLU 4 HA GLU 4 7.401 -6.915 7.150 21 HB2 GLU 4 2HB GLU 4 8.121 -5.485 9.286 22 HB3 GLU 4 1HB GLU 4 8.055 -7.252 9.226 23 HG2 GLU 4 2HG GLU 4 10.054 -6.359 10.433 24 HG3 GLU 4 1HG GLU 4 10.400 -7.478 9.128 25 H THR 5 H THR 5 10.235 -4.903 6.737 26 HA THR 5 HA THR 5 9.069 -2.425 6.517 27 HB THR 5 HB THR 5 11.192 -2.067 5.013 28 HG1 THR 5 HG1 THR 5 11.962 -4.434 6.366 29 HG21 THR 5 3HG2 THR 5 12.562 -1.916 7.066 30 HG22 THR 5 1HG2 THR 5 11.349 -2.854 7.937 31 HG23 THR 5 2HG2 THR 5 10.951 -1.249 7.322 32 H GLN 6 H GLN 6 9.198 -4.965 4.209 33 HA GLN 6 HA GLN 6 8.761 -3.374 1.889 34 HB2 GLN 6 2HB GLN 6 8.275 -5.425 0.687 35 HB3 GLN 6 1HB GLN 6 9.619 -5.684 1.796 36 HG2 GLN 6 2HG GLN 6 8.194 -6.874 3.333 37 HG3 GLN 6 1HG GLN 6 6.782 -6.522 2.346 38 HE21 GLN 6 2HE2 GLN 6 9.410 -8.952 0.404 39 HE22 GLN 6 1HE2 GLN 6 9.887 -7.419 1.005 40 H MET 7 H MET 7 6.601 -4.667 4.317 41 HA MET 7 HA MET 7 4.348 -4.095 2.612 42 HB2 MET 7 2HB MET 7 2.899 -5.081 4.277 43 HB3 MET 7 1HB MET 7 4.269 -6.140 4.016 44 HG2 MET 7 2HG MET 7 5.259 -5.246 6.127 45 HG3 MET 7 1HG MET 7 3.769 -4.337 6.379 46 HE1 MET 7 3HE MET 7 4.391 -8.019 4.980 47 HE2 MET 7 1HE MET 7 4.118 -8.942 6.455 48 HE3 MET 7 2HE MET 7 5.486 -7.837 6.350 49 H GLU 8 H GLU 8 6.075 -2.786 5.203 50 HA GLU 8 HA GLU 8 4.236 -0.786 5.926 51 HB2 GLU 8 2HB GLU 8 7.217 -0.899 6.263 52 HB3 GLU 8 1HB GLU 8 6.078 0.102 7.168 53 HG2 GLU 8 2HG GLU 8 6.207 -2.902 7.224 54 HG3 GLU 8 1HG GLU 8 6.795 -1.815 8.483 55 H ARG 9 H ARG 9 7.032 -0.996 3.792 56 HA ARG 9 HA ARG 9 6.978 1.669 2.984 57 HB2 ARG 9 2HB ARG 9 8.955 0.481 2.439 58 HB3 ARG 9 1HB ARG 9 8.066 -0.810 1.654 59 HG2 ARG 9 2HG ARG 9 9.268 0.568 0.031 60 HG3 ARG 9 1HG ARG 9 7.530 0.658 -0.210 61 HD2 ARG 9 2HD ARG 9 8.414 2.849 -0.489 62 HD3 ARG 9 1HD ARG 9 7.548 2.826 1.038 63 HE ARG 9 HE ARG 9 9.899 2.471 2.005 64 HH11 ARG 9 1HH1 ARG 9 9.136 4.456 -0.883 65 HH12 ARG 9 2HH1 ARG 9 10.476 5.510 -0.627 66 HH21 ARG 9 2HH2 ARG 9 11.857 5.333 1.161 67 HH22 ARG 9 1HH2 ARG 9 11.722 4.041 2.267 68 H LYS 10 H LYS 10 5.199 -1.118 1.621 69 HA LYS 10 HA LYS 10 4.241 0.435 -0.542 70 HB2 LYS 10 2HB LYS 10 2.422 -1.240 -0.815 71 HB3 LYS 10 1HB LYS 10 4.018 -1.972 -0.706 72 HG2 LYS 10 2HG LYS 10 3.651 -2.660 1.494 73 HG3 LYS 10 1HG LYS 10 2.212 -1.668 1.643 74 HD2 LYS 10 2HD LYS 10 1.023 -3.091 0.097 75 HD3 LYS 10 1HD LYS 10 2.486 -4.047 -0.182 76 HE2 LYS 10 2HE LYS 10 0.895 -5.084 1.453 77 HE3 LYS 10 1HE LYS 10 2.527 -4.795 2.064 78 HZ1 LYS 10 3HZ LYS 10 0.821 -4.152 3.695 79 HZ2 LYS 10 1HZ LYS 10 0.188 -3.020 2.608 80 HZ3 LYS 10 2HZ LYS 10 1.754 -2.844 3.231 81 H ILE 11 H ILE 11 3.013 0.166 2.835 82 HA ILE 11 HA ILE 11 0.578 1.433 2.055 83 HB ILE 11 HB ILE 11 0.120 1.656 4.449 84 HG12 ILE 11 2HG1 ILE 11 2.912 0.553 4.705 85 HG13 ILE 11 1HG1 ILE 11 2.256 2.017 5.414 86 HG21 ILE 11 1HG2 ILE 11 1.164 -0.983 3.544 87 HG22 ILE 11 2HG2 ILE 11 -0.468 -0.366 3.228 88 HG23 ILE 11 3HG2 ILE 11 0.028 -0.795 4.884 89 HD11 ILE 11 3HD1 ILE 11 0.827 0.592 6.857 90 HD12 ILE 11 1HD1 ILE 11 2.580 0.342 7.080 91 HD13 ILE 11 2HD1 ILE 11 1.652 -0.790 6.099 92 H ILE 12 H ILE 12 3.591 2.542 3.495 93 HA ILE 12 HA ILE 12 2.526 5.167 3.723 94 HB ILE 12 HB ILE 12 4.523 5.901 4.594 95 HG12 ILE 12 2HG1 ILE 12 6.616 4.124 4.198 96 HG13 ILE 12 1HG1 ILE 12 5.768 4.101 2.680 97 HG21 ILE 12 1HG2 ILE 12 3.617 4.304 6.083 98 HG22 ILE 12 2HG2 ILE 12 5.377 4.250 6.166 99 HG23 ILE 12 3HG2 ILE 12 4.496 2.998 5.290 100 HD11 ILE 12 3HD1 ILE 12 6.773 6.668 3.947 101 HD12 ILE 12 1HD1 ILE 12 5.860 6.571 2.461 102 HD13 ILE 12 2HD1 ILE 12 7.469 5.880 2.536 103 H ASP 13 H ASP 13 4.194 3.373 1.237 104 HA ASP 13 HA ASP 13 5.161 5.565 -0.262 105 HB2 ASP 13 2HB ASP 13 5.567 2.942 -0.531 106 HB3 ASP 13 1HB ASP 13 4.229 3.083 -1.666 107 H PHE 14 H PHE 14 2.135 3.856 -0.184 108 HA PHE 14 HA PHE 14 0.911 5.245 -2.269 109 HB2 PHE 14 2HB PHE 14 -0.141 3.243 -1.532 110 HB3 PHE 14 1HB PHE 14 -0.125 3.767 0.142 111 HD1 PHE 14 HD1 PHE 14 -1.790 5.154 1.003 112 HD2 PHE 14 HD2 PHE 14 -1.823 4.083 -3.089 113 HE1 PHE 14 HE1 PHE 14 -4.111 5.934 0.848 114 HE2 PHE 14 HE2 PHE 14 -4.156 4.868 -3.292 115 HZ PHE 14 HZ PHE 14 -5.310 5.796 -1.319 116 H LEU 15 H LEU 15 0.865 5.792 1.205 117 HA LEU 15 HA LEU 15 -0.570 8.164 1.354 118 HB2 LEU 15 2HB LEU 15 -0.193 7.398 3.316 119 HB3 LEU 15 1HB LEU 15 1.394 6.703 2.965 120 HG LEU 15 HG LEU 15 1.993 9.280 2.881 121 HD11 LEU 15 1HD1 LEU 15 -0.062 10.134 3.216 122 HD12 LEU 15 2HD1 LEU 15 0.932 10.540 4.629 123 HD13 LEU 15 3HD1 LEU 15 -0.309 9.266 4.735 124 HD21 LEU 15 3HD2 LEU 15 3.120 7.717 4.121 125 HD22 LEU 15 1HD2 LEU 15 1.866 7.618 5.369 126 HD23 LEU 15 2HD2 LEU 15 2.808 9.121 5.157 127 H ARG 16 H ARG 16 2.747 7.541 0.875 128 HA ARG 16 HA ARG 16 3.721 10.117 0.942 129 HB2 ARG 16 2HB ARG 16 5.763 9.054 0.697 130 HB3 ARG 16 1HB ARG 16 4.730 7.640 0.591 131 HG2 ARG 16 2HG ARG 16 4.902 7.449 -1.686 132 HG3 ARG 16 1HG ARG 16 5.494 9.101 -1.887 133 HD2 ARG 16 2HD ARG 16 7.604 8.581 -1.096 134 HD3 ARG 16 1HD ARG 16 7.026 7.158 -0.230 135 HE ARG 16 HE ARG 16 6.609 6.281 -2.590 136 HH11 ARG 16 1HH1 ARG 16 9.251 8.596 -2.146 137 HH12 ARG 16 2HH1 ARG 16 10.442 7.570 -2.743 138 HH21 ARG 16 2HH2 ARG 16 9.813 5.413 -3.674 139 HH22 ARG 16 1HH2 ARG 16 8.169 4.916 -3.466 140 H GLN 17 H GLN 17 2.244 8.358 -1.511 141 HA GLN 17 HA GLN 17 2.777 10.307 -3.587 142 HB2 GLN 17 2HB GLN 17 1.226 7.734 -3.546 143 HB3 GLN 17 1HB GLN 17 1.152 8.827 -4.924 144 HG2 GLN 17 2HG GLN 17 3.487 8.592 -5.340 145 HG3 GLN 17 1HG GLN 17 3.727 7.722 -3.827 146 HE21 GLN 17 2HE2 GLN 17 2.878 4.640 -5.118 147 HE22 GLN 17 1HE2 GLN 17 3.280 5.598 -3.734 148 H ASN 18 H ASN 18 0.445 9.807 -1.145 149 HA ASN 18 HA ASN 18 -1.468 11.640 -2.372 150 HB2 ASN 18 2HB ASN 18 -1.314 10.633 0.495 151 HB3 ASN 18 1HB ASN 18 -2.691 11.429 -0.256 152 HD21 ASN 18 2HD2 ASN 18 -2.903 8.315 -2.372 153 HD22 ASN 18 1HD2 ASN 18 -2.371 9.923 -2.759 154 H GLY 19 H GLY 19 0.869 11.469 0.151 155 HA2 GLY 19 2HA GLY 19 2.334 13.606 -0.006 156 HA3 GLY 19 1HA GLY 19 0.854 14.324 0.624 157 H LYS 20 H LYS 20 3.588 12.077 1.402 158 HA LYS 20 HA LYS 20 3.299 11.298 3.868 159 HB2 LYS 20 2HB LYS 20 5.589 12.209 4.353 160 HB3 LYS 20 1HB LYS 20 5.443 11.094 3.005 161 HG2 LYS 20 2HG LYS 20 5.373 14.048 2.515 162 HG3 LYS 20 1HG LYS 20 6.930 13.308 2.898 163 HD2 LYS 20 2HD LYS 20 5.098 12.579 0.584 164 HD3 LYS 20 1HD LYS 20 6.583 13.517 0.470 165 HE2 LYS 20 2HE LYS 20 6.420 10.657 1.433 166 HE3 LYS 20 1HE LYS 20 6.882 11.142 -0.196 167 HZ1 LYS 20 3HZ LYS 20 8.575 10.599 1.647 168 HZ2 LYS 20 1HZ LYS 20 8.392 12.180 2.120 169 HZ3 LYS 20 2HZ LYS 20 8.937 11.803 0.530 170 H SER 21 H SER 21 3.392 12.102 6.062 171 HA SER 21 HA SER 21 3.258 14.813 6.698 172 HB2 SER 21 2HB SER 21 1.268 14.763 5.167 173 HB3 SER 21 1HB SER 21 0.545 13.527 6.185 174 HG SER 21 HG SER 21 0.544 16.194 6.439 175 H ILE 22 H ILE 22 1.200 14.590 8.618 176 HA ILE 22 HA ILE 22 2.625 13.029 10.574 177 HB ILE 22 HB ILE 22 0.993 13.916 12.216 178 HG12 ILE 22 2HG1 ILE 22 -0.170 15.408 9.839 179 HG13 ILE 22 1HG1 ILE 22 -0.956 14.084 10.683 180 HG21 ILE 22 1HG2 ILE 22 1.720 16.266 12.078 181 HG22 ILE 22 2HG2 ILE 22 2.279 15.979 10.430 182 HG23 ILE 22 3HG2 ILE 22 3.039 15.135 11.777 183 HD11 ILE 22 3HD1 ILE 22 -0.260 16.766 11.863 184 HD12 ILE 22 1HD1 ILE 22 -1.063 15.444 12.709 185 HD13 ILE 22 2HD1 ILE 22 -1.864 16.237 11.352 186 H ALA 23 H ALA 23 1.282 11.797 12.188 187 HA ALA 23 HA ALA 23 0.390 9.415 11.080 188 HB1 ALA 23 1HB ALA 23 1.280 9.664 13.341 189 HB2 ALA 23 2HB ALA 23 -0.271 8.816 13.329 190 HB3 ALA 23 3HB ALA 23 -0.195 10.517 13.798 191 H LEU 24 H LEU 24 -1.405 12.284 11.736 192 HA LEU 24 HA LEU 24 -3.969 11.011 12.001 193 HB2 LEU 24 2HB LEU 24 -3.323 13.232 13.038 194 HB3 LEU 24 1HB LEU 24 -3.312 13.920 11.438 195 HG LEU 24 HG LEU 24 -5.310 14.507 12.813 196 HD11 LEU 24 1HD1 LEU 24 -5.958 12.994 10.299 197 HD12 LEU 24 2HD1 LEU 24 -5.488 14.689 10.415 198 HD13 LEU 24 3HD1 LEU 24 -7.015 14.147 11.112 199 HD21 LEU 24 3HD2 LEU 24 -5.580 12.408 14.004 200 HD22 LEU 24 1HD2 LEU 24 -6.018 11.594 12.502 201 HD23 LEU 24 2HD2 LEU 24 -7.067 12.848 13.165 202 H THR 25 H THR 25 -2.094 12.616 9.489 203 HA THR 25 HA THR 25 -4.055 12.714 7.527 204 HB THR 25 HB THR 25 -1.096 12.450 7.187 205 HG1 THR 25 HG1 THR 25 -0.961 14.591 7.671 206 HG21 THR 25 3HG2 THR 25 -1.508 13.686 5.123 207 HG22 THR 25 1HG2 THR 25 -3.219 13.881 5.580 208 HG23 THR 25 2HG2 THR 25 -2.599 12.287 5.242 209 H ILE 26 H ILE 26 -1.419 10.436 8.184 210 HA ILE 26 HA ILE 26 -1.666 8.744 6.036 211 HB ILE 26 HB ILE 26 -1.123 7.659 8.829 212 HG12 ILE 26 2HG1 ILE 26 0.806 8.941 6.848 213 HG13 ILE 26 1HG1 ILE 26 0.288 9.678 8.353 214 HG21 ILE 26 1HG2 ILE 26 0.214 6.024 7.573 215 HG22 ILE 26 2HG2 ILE 26 -0.329 6.795 6.065 216 HG23 ILE 26 3HG2 ILE 26 -1.500 6.028 7.134 217 HD11 ILE 26 3HD1 ILE 26 1.908 7.154 8.079 218 HD12 ILE 26 1HD1 ILE 26 1.389 7.879 9.601 219 HD13 ILE 26 2HD1 ILE 26 2.513 8.742 8.552 220 H ALA 27 H ALA 27 -3.487 8.615 9.034 221 HA ALA 27 HA ALA 27 -4.963 6.311 8.509 222 HB1 ALA 27 1HB ALA 27 -4.817 7.379 10.699 223 HB2 ALA 27 2HB ALA 27 -6.493 7.107 10.213 224 HB3 ALA 27 3HB ALA 27 -5.791 8.726 10.108 225 H LYS 28 H LYS 28 -5.651 9.777 7.635 226 HA LYS 28 HA LYS 28 -8.170 9.312 6.656 227 HB2 LYS 28 2HB LYS 28 -6.713 11.393 7.404 228 HB3 LYS 28 1HB LYS 28 -6.433 11.449 5.669 229 HG2 LYS 28 2HG LYS 28 -9.012 11.030 5.699 230 HG3 LYS 28 1HG LYS 28 -8.741 11.843 7.263 231 HD2 LYS 28 2HD LYS 28 -9.129 13.715 5.855 232 HD3 LYS 28 1HD LYS 28 -7.376 13.566 5.835 233 HE2 LYS 28 2HE LYS 28 -9.317 12.631 3.691 234 HE3 LYS 28 1HE LYS 28 -8.191 13.971 3.571 235 HZ1 LYS 28 3HZ LYS 28 -7.500 11.054 3.610 236 HZ2 LYS 28 1HZ LYS 28 -6.360 12.263 3.752 237 HZ3 LYS 28 2HZ LYS 28 -7.200 12.154 2.377 238 H GLU 29 H GLU 29 -4.937 9.074 5.315 239 HA GLU 29 HA GLU 29 -5.880 9.286 2.608 240 HB2 GLU 29 2HB GLU 29 -3.156 8.328 3.491 241 HB3 GLU 29 1HB GLU 29 -3.604 8.941 1.911 242 HG2 GLU 29 2HG GLU 29 -3.140 10.408 4.461 243 HG3 GLU 29 1HG GLU 29 -2.444 10.700 2.877 244 H ILE 30 H ILE 30 -4.929 6.784 4.791 245 HA ILE 30 HA ILE 30 -5.262 4.816 2.660 246 HB ILE 30 HB ILE 30 -4.480 3.102 4.263 247 HG12 ILE 30 2HG1 ILE 30 -4.149 5.444 6.159 248 HG13 ILE 30 1HG1 ILE 30 -5.268 4.108 6.369 249 HG21 ILE 30 1HG2 ILE 30 -2.143 3.882 4.396 250 HG22 ILE 30 2HG2 ILE 30 -2.686 5.510 3.993 251 HG23 ILE 30 3HG2 ILE 30 -2.880 4.203 2.825 252 HD11 ILE 30 3HD1 ILE 30 -3.351 3.839 7.815 253 HD12 ILE 30 1HD1 ILE 30 -2.258 3.960 6.433 254 HD13 ILE 30 2HD1 ILE 30 -3.341 2.581 6.577 255 H GLY 31 H GLY 31 -7.090 6.208 5.076 256 HA2 GLY 31 2HA GLY 31 -9.320 5.953 5.562 257 HA3 GLY 31 1HA GLY 31 -9.384 4.657 4.373 258 H LEU 32 H LEU 32 -7.123 4.656 7.001 259 HA LEU 32 HA LEU 32 -8.608 2.369 8.107 260 HB2 LEU 32 2HB LEU 32 -5.600 2.641 8.203 261 HB3 LEU 32 1HB LEU 32 -6.552 1.270 8.705 262 HG LEU 32 HG LEU 32 -5.877 2.164 5.921 263 HD11 LEU 32 1HD1 LEU 32 -4.242 0.782 7.017 264 HD12 LEU 32 2HD1 LEU 32 -5.004 -0.081 5.684 265 HD13 LEU 32 3HD1 LEU 32 -5.469 -0.440 7.345 266 HD21 LEU 32 3HD2 LEU 32 -7.986 0.144 6.696 267 HD22 LEU 32 1HD2 LEU 32 -7.294 0.350 5.069 268 HD23 LEU 32 2HD2 LEU 32 -8.172 1.675 5.813 269 H ASP 33 H ASP 33 -7.699 1.872 10.357 270 HA ASP 33 HA ASP 33 -8.331 4.017 12.044 271 HB2 ASP 33 2HB ASP 33 -8.880 2.081 13.108 272 HB3 ASP 33 1HB ASP 33 -7.549 1.186 12.392 273 H LYS 34 H LYS 34 -7.191 5.181 13.417 274 HA LYS 34 HA LYS 34 -4.689 6.206 12.562 275 HB2 LYS 34 2HB LYS 34 -4.810 7.573 14.627 276 HB3 LYS 34 1HB LYS 34 -6.249 7.665 13.630 277 HG2 LYS 34 2HG LYS 34 -7.576 6.604 15.153 278 HG3 LYS 34 1HG LYS 34 -6.261 5.619 15.778 279 HD2 LYS 34 2HD LYS 34 -6.586 8.575 16.312 280 HD3 LYS 34 1HD LYS 34 -7.133 7.300 17.402 281 HE2 LYS 34 2HE LYS 34 -4.262 7.773 16.531 282 HE3 LYS 34 1HE LYS 34 -4.955 8.180 18.092 283 HZ1 LYS 34 3HZ LYS 34 -4.943 5.386 17.080 284 HZ2 LYS 34 1HZ LYS 34 -5.186 5.901 18.649 285 HZ3 LYS 34 2HZ LYS 34 -3.646 6.010 17.919 286 H SER 35 H SER 35 -5.550 3.717 14.840 287 HA SER 35 HA SER 35 -3.173 4.014 16.456 288 HB2 SER 35 2HB SER 35 -5.190 1.770 16.463 289 HB3 SER 35 1HB SER 35 -4.182 2.334 17.806 290 HG SER 35 HG SER 35 -6.504 3.321 16.743 291 H THR 36 H THR 36 -4.497 2.041 13.915 292 HA THR 36 HA THR 36 -2.573 0.217 13.561 293 HB THR 36 HB THR 36 -4.601 1.703 11.983 294 HG1 THR 36 HG1 THR 36 -5.472 0.284 13.294 295 HG21 THR 36 3HG2 THR 36 -2.833 -0.474 10.944 296 HG22 THR 36 1HG2 THR 36 -2.908 1.238 10.474 297 HG23 THR 36 2HG2 THR 36 -4.309 0.180 10.150 298 H VAL 37 H VAL 37 -2.926 3.531 12.093 299 HA VAL 37 HA VAL 37 -0.577 3.684 10.717 300 HB VAL 37 HB VAL 37 -2.036 5.760 12.302 301 HG11 VAL 37 1HG1 VAL 37 -0.033 6.134 10.070 302 HG12 VAL 37 2HG1 VAL 37 0.194 6.523 11.778 303 HG13 VAL 37 3HG1 VAL 37 -0.981 7.422 10.828 304 HG21 VAL 37 3HG2 VAL 37 -3.054 6.358 10.120 305 HG22 VAL 37 1HG2 VAL 37 -3.466 4.732 10.670 306 HG23 VAL 37 2HG2 VAL 37 -2.251 4.957 9.413 307 H ASN 38 H ASN 38 -1.225 4.520 14.117 308 HA ASN 38 HA ASN 38 1.279 5.435 14.917 309 HB2 ASN 38 2HB ASN 38 -0.749 3.854 16.528 310 HB3 ASN 38 1HB ASN 38 0.641 4.680 17.208 311 HD21 ASN 38 2HD2 ASN 38 -0.987 7.851 15.938 312 HD22 ASN 38 1HD2 ASN 38 0.322 6.878 15.352 313 H ARG 39 H ARG 39 0.028 2.200 14.966 314 HA ARG 39 HA ARG 39 2.107 0.783 16.123 315 HB2 ARG 39 2HB ARG 39 -0.017 -0.172 15.740 316 HB3 ARG 39 1HB ARG 39 0.056 0.193 14.024 317 HG2 ARG 39 2HG ARG 39 2.027 -1.241 13.977 318 HG3 ARG 39 1HG ARG 39 1.534 -1.880 15.550 319 HD2 ARG 39 2HD ARG 39 0.088 -1.941 12.906 320 HD3 ARG 39 1HD ARG 39 0.568 -3.349 13.864 321 HE ARG 39 HE ARG 39 -1.138 -2.388 15.514 322 HH11 ARG 39 1HH1 ARG 39 -1.431 -2.265 11.950 323 HH12 ARG 39 2HH1 ARG 39 -3.116 -2.097 11.963 324 HH21 ARG 39 2HH2 ARG 39 -4.322 -1.978 13.969 325 HH22 ARG 39 1HH2 ARG 39 -3.553 -2.138 15.477 326 H HIS 40 H HIS 40 1.403 1.453 12.822 327 HA HIS 40 HA HIS 40 3.612 0.016 11.769 328 HB2 HIS 40 2HB HIS 40 1.641 1.885 10.510 329 HB3 HIS 40 1HB HIS 40 2.958 1.166 9.596 330 HD1 HIS 40 HD1 HIS 40 2.804 -1.537 9.321 331 HD2 HIS 40 HD2 HIS 40 -0.513 0.244 11.065 332 HE1 HIS 40 HE1 HIS 40 0.998 -3.286 9.334 333 H LEU 41 H LEU 41 3.115 3.335 12.548 334 HA LEU 41 HA LEU 41 5.545 4.084 11.267 335 HB2 LEU 41 2HB LEU 41 5.274 6.291 12.300 336 HB3 LEU 41 1HB LEU 41 3.872 5.797 11.376 337 HG LEU 41 HG LEU 41 2.959 5.109 13.721 338 HD11 LEU 41 1HD1 LEU 41 4.952 5.468 14.997 339 HD12 LEU 41 2HD1 LEU 41 3.665 6.549 15.531 340 HD13 LEU 41 3HD1 LEU 41 4.988 7.175 14.531 341 HD21 LEU 41 3HD2 LEU 41 1.967 7.279 13.949 342 HD22 LEU 41 1HD2 LEU 41 2.042 6.696 12.287 343 HD23 LEU 41 2HD2 LEU 41 3.179 7.951 12.829 344 H TYR 42 H TYR 42 4.634 3.008 14.462 345 HA TYR 42 HA TYR 42 6.819 3.932 15.820 346 HB2 TYR 42 2HB TYR 42 4.644 2.108 16.037 347 HB3 TYR 42 1HB TYR 42 5.967 1.638 17.018 348 HD1 TYR 42 HD1 TYR 42 6.845 4.499 17.726 349 HD2 TYR 42 HD2 TYR 42 3.051 2.679 17.547 350 HE1 TYR 42 HE1 TYR 42 6.007 6.152 19.366 351 HE2 TYR 42 HE2 TYR 42 2.160 4.319 19.184 352 HH TYR 42 HH TYR 42 3.846 7.131 20.046 353 H ASN 43 H ASN 43 6.184 1.137 14.033 354 HA ASN 43 HA ASN 43 8.633 -0.167 14.854 355 HB2 ASN 43 2HB ASN 43 8.187 -2.067 13.489 356 HB3 ASN 43 1HB ASN 43 6.628 -1.541 14.112 357 HD21 ASN 43 2HD2 ASN 43 5.276 -1.134 10.937 358 HD22 ASN 43 1HD2 ASN 43 5.032 -1.015 12.647 359 H LEU 44 H LEU 44 7.604 1.506 11.974 360 HA LEU 44 HA LEU 44 10.106 1.256 10.641 361 HB2 LEU 44 2HB LEU 44 8.174 3.558 10.271 362 HB3 LEU 44 1HB LEU 44 9.454 3.069 9.244 363 HG LEU 44 HG LEU 44 7.049 1.375 9.767 364 HD11 LEU 44 1HD1 LEU 44 6.439 1.993 7.452 365 HD12 LEU 44 2HD1 LEU 44 7.852 3.034 7.367 366 HD13 LEU 44 3HD1 LEU 44 6.549 3.415 8.487 367 HD21 LEU 44 3HD2 LEU 44 9.077 0.085 9.291 368 HD22 LEU 44 1HD2 LEU 44 9.371 1.059 7.852 369 HD23 LEU 44 2HD2 LEU 44 7.959 0.011 7.940 370 H GLN 45 H GLN 45 8.867 3.512 13.009 371 HA GLN 45 HA GLN 45 10.826 5.355 12.966 372 HB2 GLN 45 2HB GLN 45 8.718 4.432 14.544 373 HB3 GLN 45 1HB GLN 45 9.976 4.918 15.604 374 HG2 GLN 45 2HG GLN 45 10.028 6.908 13.872 375 HG3 GLN 45 1HG GLN 45 8.383 6.342 13.582 376 HE21 GLN 45 2HE2 GLN 45 8.748 8.841 16.188 377 HE22 GLN 45 1HE2 GLN 45 9.443 8.601 14.602 378 H ARG 46 H ARG 46 10.664 2.138 14.347 379 HA ARG 46 HA ARG 46 12.996 2.403 16.015 380 HB2 ARG 46 2HB ARG 46 11.799 -0.152 14.948 381 HB3 ARG 46 1HB ARG 46 12.949 -0.022 16.259 382 HG2 ARG 46 2HG ARG 46 10.051 0.784 16.245 383 HG3 ARG 46 1HG ARG 46 10.813 -0.489 17.192 384 HD2 ARG 46 2HD ARG 46 10.767 1.089 18.821 385 HD3 ARG 46 1HD ARG 46 12.232 1.636 17.997 386 HE ARG 46 HE ARG 46 9.878 2.764 16.888 387 HH11 ARG 46 1HH1 ARG 46 12.287 3.157 19.441 388 HH12 ARG 46 2HH1 ARG 46 11.939 4.788 19.781 389 HH21 ARG 46 2HH2 ARG 46 10.184 5.896 18.548 390 HH22 ARG 46 1HH2 ARG 46 9.317 5.072 17.368 391 H SER 47 H SER 47 12.358 1.456 12.749 392 HA SER 47 HA SER 47 15.087 0.579 12.387 393 HB2 SER 47 2HB SER 47 14.144 -0.132 10.123 394 HB3 SER 47 1HB SER 47 13.551 -0.982 11.551 395 HG SER 47 HG SER 47 11.717 -0.478 10.627 396 H ASN 48 H ASN 48 13.668 3.588 12.322 397 HA ASN 48 HA ASN 48 14.097 5.501 11.370 398 HB2 ASN 48 2HB ASN 48 16.615 4.039 10.659 399 HB3 ASN 48 1HB ASN 48 16.385 5.720 10.172 400 HD21 ASN 48 2HD2 ASN 48 18.096 5.302 13.515 401 HD22 ASN 48 1HD2 ASN 48 18.314 4.493 11.990 402 H GLN 49 H GLN 49 12.453 3.704 9.956 403 HA GLN 49 HA GLN 49 13.096 4.382 7.164 404 HB2 GLN 49 2HB GLN 49 12.352 1.933 8.066 405 HB3 GLN 49 1HB GLN 49 10.756 2.627 7.900 406 HG2 GLN 49 2HG GLN 49 12.603 2.727 5.546 407 HG3 GLN 49 1HG GLN 49 11.888 1.193 5.974 408 HE21 GLN 49 2HE2 GLN 49 9.081 3.956 4.882 409 HE22 GLN 49 1HE2 GLN 49 10.172 4.333 6.147 410 H VAL 50 H VAL 50 11.236 5.033 9.921 411 HA VAL 50 HA VAL 50 10.138 7.269 8.545 412 HB VAL 50 HB VAL 50 8.423 5.176 8.756 413 HG11 VAL 50 1HG1 VAL 50 8.695 5.155 11.180 414 HG12 VAL 50 2HG1 VAL 50 6.999 5.338 10.659 415 HG13 VAL 50 3HG1 VAL 50 7.909 6.729 11.266 416 HG21 VAL 50 3HG2 VAL 50 7.930 7.213 7.609 417 HG22 VAL 50 1HG2 VAL 50 7.694 8.068 9.134 418 HG23 VAL 50 2HG2 VAL 50 6.577 6.784 8.659 419 H PHE 51 H PHE 51 10.123 8.777 9.757 420 HA PHE 51 HA PHE 51 9.796 8.971 12.519 421 HB2 PHE 51 2HB PHE 51 12.104 10.044 13.048 422 HB3 PHE 51 1HB PHE 51 12.092 8.302 12.830 423 HD1 PHE 51 HD1 PHE 51 13.172 7.268 11.024 424 HD2 PHE 51 HD2 PHE 51 13.221 11.488 11.391 425 HE1 PHE 51 HE1 PHE 51 14.987 7.346 9.429 426 HE2 PHE 51 HE2 PHE 51 15.061 11.611 9.755 427 HZ PHE 51 HZ PHE 51 15.959 9.540 8.760 428 H ASN 52 H ASN 52 10.755 11.628 12.915 429 HA ASN 52 HA ASN 52 9.290 12.850 10.704 430 HB2 ASN 52 2HB ASN 52 9.260 14.945 11.892 431 HB3 ASN 52 1HB ASN 52 8.482 13.678 12.807 432 HD21 ASN 52 2HD2 ASN 52 10.830 13.866 15.406 433 HD22 ASN 52 1HD2 ASN 52 9.609 12.918 14.585 434 H SER 53 H SER 53 10.126 14.389 9.454 435 HA SER 53 HA SER 53 13.014 14.247 9.486 436 HB2 SER 53 2HB SER 53 11.148 13.453 7.298 437 HB3 SER 53 1HB SER 53 12.891 13.588 7.205 438 HG SER 53 HG SER 53 11.314 11.597 8.309 439 H ASN 54 H ASN 54 13.769 15.275 7.702 440 HA ASN 54 HA ASN 54 14.509 16.895 6.321 441 HB2 ASN 54 2HB ASN 54 12.795 15.976 4.907 442 HB3 ASN 54 1HB ASN 54 11.591 17.049 5.597 443 HD21 ASN 54 2HD2 ASN 54 12.348 19.692 3.436 444 HD22 ASN 54 1HD2 ASN 54 11.331 19.144 4.682 445 H GLU 55 H GLU 55 12.320 18.090 8.705 446 HA GLU 55 HA GLU 55 13.494 20.716 8.494 447 HB2 GLU 55 2HB GLU 55 11.267 21.778 7.820 448 HB3 GLU 55 1HB GLU 55 12.134 20.877 6.603 449 HG2 GLU 55 2HG GLU 55 10.756 18.957 6.955 450 HG3 GLU 55 1HG GLU 55 9.770 19.766 8.152 451 H LYS 56 H LYS 56 11.292 22.122 9.570 452 HA LYS 56 HA LYS 56 11.303 20.954 12.167 453 HB2 LYS 56 2HB LYS 56 10.860 23.789 11.347 454 HB3 LYS 56 1HB LYS 56 10.372 23.231 12.944 455 HG2 LYS 56 2HG LYS 56 13.151 22.713 11.941 456 HG3 LYS 56 1HG LYS 56 12.729 24.276 12.623 457 HD2 LYS 56 2HD LYS 56 13.781 22.770 14.292 458 HD3 LYS 56 1HD LYS 56 12.164 23.252 14.754 459 HE2 LYS 56 2HE LYS 56 12.604 20.906 15.298 460 HE3 LYS 56 1HE LYS 56 11.312 21.021 14.124 461 HZ1 LYS 56 3HZ LYS 56 12.862 20.291 12.386 462 HZ2 LYS 56 1HZ LYS 56 12.888 19.227 13.667 463 HZ3 LYS 56 2HZ LYS 56 14.159 20.314 13.467 464 HA PRO 57 HA PRO 57 6.600 20.896 11.329 465 HB2 PRO 57 2HB PRO 57 6.874 20.567 8.358 466 HB3 PRO 57 1HB PRO 57 5.551 21.334 9.265 467 HG2 PRO 57 2HG PRO 57 7.217 22.840 7.940 468 HG3 PRO 57 1HG PRO 57 6.707 23.308 9.578 469 HD2 PRO 57 2HD PRO 57 9.284 22.073 8.708 470 HD3 PRO 57 1HD PRO 57 8.995 23.378 9.878 471 HA PRO 58 HA PRO 58 8.726 16.925 11.354 472 HB2 PRO 58 2HB PRO 58 6.262 15.893 12.593 473 HB3 PRO 58 1HB PRO 58 7.903 15.965 13.264 474 HG2 PRO 58 2HG PRO 58 5.974 17.533 14.190 475 HG3 PRO 58 1HG PRO 58 7.658 18.083 14.066 476 HD2 PRO 58 2HD PRO 58 5.354 18.697 12.275 477 HD3 PRO 58 1HD PRO 58 6.658 19.747 12.881 478 H VAL 59 H VAL 59 8.774 16.118 9.150 479 HA VAL 59 HA VAL 59 6.196 15.134 8.252 480 HB VAL 59 HB VAL 59 7.689 16.327 6.632 481 HG11 VAL 59 1HG1 VAL 59 9.347 13.873 6.714 482 HG12 VAL 59 2HG1 VAL 59 9.838 15.470 7.289 483 HG13 VAL 59 3HG1 VAL 59 9.539 15.196 5.565 484 HG21 VAL 59 3HG2 VAL 59 7.292 14.831 4.745 485 HG22 VAL 59 1HG2 VAL 59 5.896 14.876 5.823 486 HG23 VAL 59 2HG2 VAL 59 7.017 13.502 5.854 487 H TRP 60 H TRP 60 5.466 13.326 8.743 488 HA TRP 60 HA TRP 60 7.338 11.339 9.627 489 HB2 TRP 60 2HB TRP 60 4.307 11.289 9.605 490 HB3 TRP 60 1HB TRP 60 5.343 10.009 10.236 491 HD1 TRP 60 HD1 TRP 60 4.768 13.763 10.872 492 HE1 TRP 60 HE1 TRP 60 5.015 14.217 13.397 493 HE3 TRP 60 HE3 TRP 60 6.031 9.069 12.381 494 HZ2 TRP 60 HZ2 TRP 60 5.668 12.750 15.728 495 HZ3 TRP 60 HZ3 TRP 60 6.456 8.670 14.771 496 HH2 TRP 60 HH2 TRP 60 6.276 10.468 16.404 497 H ASP 61 H ASP 61 8.349 10.684 8.114 498 HA ASP 61 HA ASP 61 7.600 8.744 6.350 499 HB2 ASP 61 2HB ASP 61 6.497 10.799 5.269 500 HB3 ASP 61 1HB ASP 61 8.121 11.414 4.985 501 H LEU 62 H LEU 62 9.587 9.511 4.500 502 HA LEU 62 HA LEU 62 11.888 10.055 6.080 503 HB2 LEU 62 2HB LEU 62 13.117 8.127 5.411 504 HB3 LEU 62 1HB LEU 62 11.563 7.672 6.083 505 HG LEU 62 HG LEU 62 12.137 7.664 3.114 506 HD11 LEU 62 1HD1 LEU 62 12.298 5.390 5.081 507 HD12 LEU 62 2HD1 LEU 62 13.655 6.147 4.247 508 HD13 LEU 62 3HD1 LEU 62 12.443 5.255 3.329 509 HD21 LEU 62 3HD2 LEU 62 9.746 7.729 3.713 510 HD22 LEU 62 1HD2 LEU 62 9.970 6.321 4.752 511 HD23 LEU 62 2HD2 LEU 62 10.186 6.173 3.008 512 H MET 63 H MET 63 13.548 9.268 3.469 513 HA MET 63 HA MET 63 12.948 11.825 2.336 514 HB2 MET 63 2HB MET 63 15.611 10.381 2.562 515 HB3 MET 63 1HB MET 63 15.345 11.941 1.807 516 HG2 MET 63 2HG MET 63 15.095 11.297 4.742 517 HG3 MET 63 1HG MET 63 16.388 12.208 3.975 518 HE1 MET 63 3HE MET 63 16.028 14.651 2.892 519 HE2 MET 63 1HE MET 63 14.481 15.497 2.892 520 HE3 MET 63 2HE MET 63 14.694 14.053 1.906 521 H GLU 64 H GLU 64 11.490 9.829 1.738 522 HA GLU 64 HA GLU 64 10.561 8.993 -0.116 523 HB2 GLU 64 2HB GLU 64 13.159 9.579 -0.986 524 HB3 GLU 64 1HB GLU 64 12.116 8.760 -2.202 525 HG2 GLU 64 2HG GLU 64 12.173 11.591 -1.143 526 HG3 GLU 64 1HG GLU 64 11.814 11.049 -2.780 Start of MODEL 7 1 HA MET 1 HA MET 1 11.696 -10.535 8.628 2 HB2 MET 1 2HB MET 1 13.700 -12.781 9.043 3 HB3 MET 1 1HB MET 1 14.052 -11.262 8.240 4 HG2 MET 1 2HG MET 1 14.910 -11.143 10.460 5 HG3 MET 1 1HG MET 1 13.511 -10.080 10.361 6 HE1 MET 1 2HE MET 1 15.026 -13.366 11.836 7 HE2 MET 1 3HE MET 1 13.768 -14.039 10.798 8 HE3 MET 1 1HE MET 1 13.621 -14.155 12.550 9 H SER 2 H SER 2 10.465 -10.631 6.901 10 HA SER 2 HA SER 2 11.466 -12.159 4.695 11 HB2 SER 2 2HB SER 2 9.821 -13.732 5.748 12 HB3 SER 2 1HB SER 2 8.576 -12.498 5.591 13 HG SER 2 HG SER 2 9.897 -13.049 3.247 14 H ALA 3 H ALA 3 8.496 -10.381 5.641 15 HA ALA 3 HA ALA 3 9.208 -8.081 4.107 16 HB1 ALA 3 1HB ALA 3 6.922 -9.785 3.075 17 HB2 ALA 3 2HB ALA 3 8.485 -9.617 2.275 18 HB3 ALA 3 3HB ALA 3 7.421 -8.219 2.436 19 H GLU 4 H GLU 4 8.653 -8.549 6.685 20 HA GLU 4 HA GLU 4 6.126 -7.919 7.613 21 HB2 GLU 4 2HB GLU 4 8.868 -7.303 8.433 22 HB3 GLU 4 1HB GLU 4 7.529 -6.844 9.508 23 HG2 GLU 4 2HG GLU 4 8.397 -8.870 10.398 24 HG3 GLU 4 1HG GLU 4 7.009 -9.398 9.458 25 H THR 5 H THR 5 8.881 -5.716 7.248 26 HA THR 5 HA THR 5 7.366 -3.351 7.594 27 HB THR 5 HB THR 5 9.693 -3.421 8.303 28 HG1 THR 5 HG1 THR 5 8.728 -1.585 6.582 29 HG21 THR 5 3HG2 THR 5 10.384 -3.730 5.373 30 HG22 THR 5 1HG2 THR 5 10.586 -4.963 6.618 31 HG23 THR 5 2HG2 THR 5 11.546 -3.485 6.677 32 H GLN 6 H GLN 6 7.429 -5.302 4.990 33 HA GLN 6 HA GLN 6 7.665 -3.390 2.857 34 HB2 GLN 6 2HB GLN 6 7.913 -5.943 2.666 35 HB3 GLN 6 1HB GLN 6 6.159 -6.000 2.733 36 HG2 GLN 6 2HG GLN 6 6.358 -4.252 0.774 37 HG3 GLN 6 1HG GLN 6 7.944 -4.992 0.575 38 HE21 GLN 6 2HE2 GLN 6 6.390 -7.269 -1.528 39 HE22 GLN 6 1HE2 GLN 6 7.495 -5.959 -1.356 40 H MET 7 H MET 7 5.267 -4.506 5.083 41 HA MET 7 HA MET 7 2.957 -3.939 3.558 42 HB2 MET 7 2HB MET 7 3.221 -4.096 6.562 43 HB3 MET 7 1HB MET 7 1.719 -4.156 5.655 44 HG2 MET 7 2HG MET 7 3.925 -6.201 5.627 45 HG3 MET 7 1HG MET 7 2.343 -6.365 6.380 46 HE1 MET 7 3HE MET 7 3.580 -8.541 4.452 47 HE2 MET 7 1HE MET 7 2.183 -8.946 3.453 48 HE3 MET 7 2HE MET 7 1.982 -8.684 5.185 49 H GLU 8 H GLU 8 4.543 -2.170 6.199 50 HA GLU 8 HA GLU 8 2.858 0.030 5.987 51 HB2 GLU 8 2HB GLU 8 5.700 -0.016 6.984 52 HB3 GLU 8 1HB GLU 8 4.485 1.231 7.231 53 HG2 GLU 8 2HG GLU 8 4.701 -0.003 9.252 54 HG3 GLU 8 1HG GLU 8 3.144 -0.393 8.525 55 H ARG 9 H ARG 9 5.825 -0.867 4.411 56 HA ARG 9 HA ARG 9 6.294 1.694 3.292 57 HB2 ARG 9 2HB ARG 9 8.193 0.254 3.341 58 HB3 ARG 9 1HB ARG 9 7.331 -1.045 2.545 59 HG2 ARG 9 2HG ARG 9 9.062 0.023 1.129 60 HG3 ARG 9 1HG ARG 9 7.452 0.091 0.430 61 HD2 ARG 9 2HD ARG 9 8.617 2.191 0.087 62 HD3 ARG 9 1HD ARG 9 7.245 2.423 1.156 63 HE ARG 9 HE ARG 9 9.518 2.024 2.737 64 HH11 ARG 9 1HH1 ARG 9 8.284 4.375 0.380 65 HH12 ARG 9 2HH1 ARG 9 9.040 5.715 1.092 66 HH21 ARG 9 2HH2 ARG 9 10.425 5.420 3.086 67 HH22 ARG 9 1HH2 ARG 9 10.588 3.855 3.724 68 H LYS 10 H LYS 10 4.461 -1.032 2.126 69 HA LYS 10 HA LYS 10 3.904 0.103 -0.399 70 HB2 LYS 10 2HB LYS 10 2.427 -1.984 1.203 71 HB3 LYS 10 1HB LYS 10 1.947 -1.515 -0.423 72 HG2 LYS 10 2HG LYS 10 4.028 -2.290 -1.335 73 HG3 LYS 10 1HG LYS 10 4.683 -2.566 0.273 74 HD2 LYS 10 2HD LYS 10 2.345 -4.061 -0.944 75 HD3 LYS 10 1HD LYS 10 4.001 -4.665 -0.845 76 HE2 LYS 10 2HE LYS 10 3.824 -4.339 1.660 77 HE3 LYS 10 1HE LYS 10 2.097 -4.081 1.418 78 HZ1 LYS 10 3HZ LYS 10 2.010 -6.339 0.407 79 HZ2 LYS 10 1HZ LYS 10 2.526 -6.332 2.026 80 HZ3 LYS 10 2HZ LYS 10 3.659 -6.525 0.810 81 H ILE 11 H ILE 11 2.223 0.453 2.766 82 HA ILE 11 HA ILE 11 0.062 1.776 1.491 83 HB ILE 11 HB ILE 11 -0.727 2.250 3.729 84 HG12 ILE 11 2HG1 ILE 11 1.908 1.061 4.567 85 HG13 ILE 11 1HG1 ILE 11 1.252 2.631 4.985 86 HG21 ILE 11 1HG2 ILE 11 -1.262 0.114 2.677 87 HG22 ILE 11 2HG2 ILE 11 -1.024 -0.140 4.420 88 HG23 ILE 11 3HG2 ILE 11 0.266 -0.539 3.273 89 HD11 ILE 11 3HD1 ILE 11 0.310 -0.027 5.884 90 HD12 ILE 11 1HD1 ILE 11 -0.475 1.494 6.348 91 HD13 ILE 11 2HD1 ILE 11 1.187 1.153 6.877 92 H ILE 12 H ILE 12 2.929 2.794 3.312 93 HA ILE 12 HA ILE 12 2.056 5.471 3.207 94 HB ILE 12 HB ILE 12 3.978 6.186 4.217 95 HG12 ILE 12 2HG1 ILE 12 5.947 4.205 4.318 96 HG13 ILE 12 1HG1 ILE 12 5.325 4.139 2.681 97 HG21 ILE 12 1HG2 ILE 12 3.597 3.415 5.256 98 HG22 ILE 12 2HG2 ILE 12 2.761 4.885 5.759 99 HG23 ILE 12 3HG2 ILE 12 4.485 4.694 6.083 100 HD11 ILE 12 3HD1 ILE 12 5.678 6.560 2.363 101 HD12 ILE 12 1HD1 ILE 12 7.190 5.721 2.728 102 HD13 ILE 12 2HD1 ILE 12 6.360 6.670 3.961 103 H ASP 13 H ASP 13 3.792 3.414 1.021 104 HA ASP 13 HA ASP 13 4.947 5.553 -0.362 105 HB2 ASP 13 2HB ASP 13 5.226 2.813 -0.538 106 HB3 ASP 13 1HB ASP 13 4.481 3.244 -2.081 107 H PHE 14 H PHE 14 1.906 3.873 -0.570 108 HA PHE 14 HA PHE 14 0.831 5.000 -2.850 109 HB2 PHE 14 2HB PHE 14 -0.363 3.270 -1.730 110 HB3 PHE 14 1HB PHE 14 -0.346 4.144 -0.208 111 HD1 PHE 14 HD1 PHE 14 -2.107 5.434 0.404 112 HD2 PHE 14 HD2 PHE 14 -1.735 4.240 -3.632 113 HE1 PHE 14 HE1 PHE 14 -4.359 6.343 -0.039 114 HE2 PHE 14 HE2 PHE 14 -3.990 5.139 -4.125 115 HZ PHE 14 HZ PHE 14 -5.305 6.195 -2.323 116 H LEU 15 H LEU 15 0.604 6.236 0.514 117 HA LEU 15 HA LEU 15 -0.408 8.755 -0.487 118 HB2 LEU 15 2HB LEU 15 -0.372 9.573 1.735 119 HB3 LEU 15 1HB LEU 15 -1.077 7.967 1.689 120 HG LEU 15 HG LEU 15 1.723 7.792 2.195 121 HD11 LEU 15 1HD1 LEU 15 1.774 8.850 4.359 122 HD12 LEU 15 2HD1 LEU 15 0.134 9.487 4.111 123 HD13 LEU 15 3HD1 LEU 15 1.471 10.008 3.066 124 HD21 LEU 15 3HD2 LEU 15 -0.799 7.094 3.607 125 HD22 LEU 15 1HD2 LEU 15 0.840 6.598 4.134 126 HD23 LEU 15 2HD2 LEU 15 0.233 6.153 2.514 127 H ARG 16 H ARG 16 2.550 7.511 -0.390 128 HA ARG 16 HA ARG 16 4.160 9.821 0.273 129 HB2 ARG 16 2HB ARG 16 5.284 7.742 0.446 130 HB3 ARG 16 1HB ARG 16 4.572 7.216 -1.079 131 HG2 ARG 16 2HG ARG 16 5.991 8.469 -2.334 132 HG3 ARG 16 1HG ARG 16 6.522 9.403 -0.947 133 HD2 ARG 16 2HD ARG 16 7.551 7.271 -0.049 134 HD3 ARG 16 1HD ARG 16 7.007 6.442 -1.490 135 HE ARG 16 HE ARG 16 8.948 8.647 -1.560 136 HH11 ARG 16 1HH1 ARG 16 7.886 5.426 -2.743 137 HH12 ARG 16 2HH1 ARG 16 9.210 5.157 -3.700 138 HH21 ARG 16 2HH2 ARG 16 10.953 6.800 -3.847 139 HH22 ARG 16 1HH2 ARG 16 10.862 8.256 -2.966 140 H GLN 17 H GLN 17 2.654 8.390 -2.211 141 HA GLN 17 HA GLN 17 3.751 9.915 -4.364 142 HB2 GLN 17 2HB GLN 17 3.229 7.819 -5.072 143 HB3 GLN 17 1HB GLN 17 1.916 7.652 -3.934 144 HG2 GLN 17 2HG GLN 17 0.958 7.529 -5.973 145 HG3 GLN 17 1HG GLN 17 0.652 9.142 -5.329 146 HE21 GLN 17 2HE2 GLN 17 3.196 10.441 -7.827 147 HE22 GLN 17 1HE2 GLN 17 3.173 10.337 -6.102 148 H ASN 18 H ASN 18 0.843 9.819 -2.412 149 HA ASN 18 HA ASN 18 -0.426 11.991 -3.813 150 HB2 ASN 18 2HB ASN 18 -1.038 10.954 -1.036 151 HB3 ASN 18 1HB ASN 18 -2.122 11.843 -2.101 152 HD21 ASN 18 2HD2 ASN 18 -2.557 8.085 -2.133 153 HD22 ASN 18 1HD2 ASN 18 -2.313 9.220 -0.842 154 H GLY 19 H GLY 19 1.540 11.571 -0.972 155 HA2 GLY 19 2HA GLY 19 2.966 13.761 -0.781 156 HA3 GLY 19 1HA GLY 19 1.395 14.379 -0.284 157 H LYS 20 H LYS 20 3.986 12.005 0.576 158 HA LYS 20 HA LYS 20 3.288 11.000 2.913 159 HB2 LYS 20 2HB LYS 20 5.764 11.131 3.371 160 HB3 LYS 20 1HB LYS 20 5.328 10.453 1.820 161 HG2 LYS 20 2HG LYS 20 5.655 13.058 1.128 162 HG3 LYS 20 1HG LYS 20 6.815 12.921 2.452 163 HD2 LYS 20 2HD LYS 20 7.679 10.821 1.289 164 HD3 LYS 20 1HD LYS 20 6.697 11.307 -0.092 165 HE2 LYS 20 2HE LYS 20 8.838 12.133 -0.577 166 HE3 LYS 20 1HE LYS 20 7.936 13.522 0.025 167 HZ1 LYS 20 3HZ LYS 20 10.149 13.500 1.114 168 HZ2 LYS 20 1HZ LYS 20 9.896 11.914 1.626 169 HZ3 LYS 20 2HZ LYS 20 8.980 13.060 2.256 170 H SER 21 H SER 21 3.554 11.699 5.261 171 HA SER 21 HA SER 21 3.429 14.466 5.818 172 HB2 SER 21 2HB SER 21 1.588 14.403 4.141 173 HB3 SER 21 1HB SER 21 0.761 13.194 5.111 174 HG SER 21 HG SER 21 -0.133 15.147 5.529 175 H ILE 22 H ILE 22 1.163 14.369 7.505 176 HA ILE 22 HA ILE 22 2.400 13.116 9.768 177 HB ILE 22 HB ILE 22 0.532 14.028 11.103 178 HG12 ILE 22 2HG1 ILE 22 -0.450 15.142 8.454 179 HG13 ILE 22 1HG1 ILE 22 -1.238 13.871 9.378 180 HG21 ILE 22 1HG2 ILE 22 1.860 15.993 9.239 181 HG22 ILE 22 2HG2 ILE 22 2.522 15.367 10.749 182 HG23 ILE 22 3HG2 ILE 22 1.096 16.406 10.773 183 HD11 ILE 22 3HD1 ILE 22 -0.863 16.728 10.258 184 HD12 ILE 22 1HD1 ILE 22 -1.653 15.458 11.194 185 HD13 ILE 22 2HD1 ILE 22 -2.360 16.002 9.673 186 H ALA 23 H ALA 23 1.330 11.759 11.274 187 HA ALA 23 HA ALA 23 0.497 9.339 10.232 188 HB1 ALA 23 1HB ALA 23 -0.011 10.415 13.000 189 HB2 ALA 23 2HB ALA 23 1.473 9.631 12.459 190 HB3 ALA 23 3HB ALA 23 -0.034 8.716 12.528 191 H LEU 24 H LEU 24 -1.385 12.131 11.022 192 HA LEU 24 HA LEU 24 -3.911 10.840 11.222 193 HB2 LEU 24 2HB LEU 24 -3.338 13.101 12.181 194 HB3 LEU 24 1HB LEU 24 -3.285 13.733 10.558 195 HG LEU 24 HG LEU 24 -5.813 12.582 11.774 196 HD11 LEU 24 1HD1 LEU 24 -6.465 14.894 12.240 197 HD12 LEU 24 2HD1 LEU 24 -4.872 15.447 11.720 198 HD13 LEU 24 3HD1 LEU 24 -5.030 14.431 13.154 199 HD21 LEU 24 3HD2 LEU 24 -5.378 14.501 9.474 200 HD22 LEU 24 1HD2 LEU 24 -6.938 13.911 10.050 201 HD23 LEU 24 2HD2 LEU 24 -5.784 12.796 9.311 202 H THR 25 H THR 25 -1.983 12.247 8.585 203 HA THR 25 HA THR 25 -4.024 12.127 6.652 204 HB THR 25 HB THR 25 -1.031 12.020 6.294 205 HG1 THR 25 HG1 THR 25 -2.808 14.007 6.987 206 HG21 THR 25 3HG2 THR 25 -3.252 12.852 4.401 207 HG22 THR 25 1HG2 THR 25 -2.392 11.319 4.365 208 HG23 THR 25 2HG2 THR 25 -1.518 12.819 4.021 209 H ILE 26 H ILE 26 -1.246 10.048 7.429 210 HA ILE 26 HA ILE 26 -1.573 8.020 5.585 211 HB ILE 26 HB ILE 26 -0.836 7.457 8.491 212 HG12 ILE 26 2HG1 ILE 26 0.932 8.431 6.204 213 HG13 ILE 26 1HG1 ILE 26 0.493 9.365 7.619 214 HG21 ILE 26 1HG2 ILE 26 -0.126 6.054 5.923 215 HG22 ILE 26 2HG2 ILE 26 -1.239 5.500 7.175 216 HG23 ILE 26 3HG2 ILE 26 0.483 5.642 7.532 217 HD11 ILE 26 3HD1 ILE 26 2.167 6.864 7.617 218 HD12 ILE 26 1HD1 ILE 26 1.736 7.814 9.039 219 HD13 ILE 26 2HD1 ILE 26 2.761 8.515 7.787 220 H ALA 27 H ALA 27 -3.130 8.406 8.691 221 HA ALA 27 HA ALA 27 -4.600 6.063 8.806 222 HB1 ALA 27 1HB ALA 27 -5.359 8.763 9.869 223 HB2 ALA 27 2HB ALA 27 -4.264 7.619 10.640 224 HB3 ALA 27 3HB ALA 27 -5.968 7.197 10.427 225 H LYS 28 H LYS 28 -5.357 9.110 7.161 226 HA LYS 28 HA LYS 28 -7.993 8.068 6.536 227 HB2 LYS 28 2HB LYS 28 -6.710 10.699 5.882 228 HB3 LYS 28 1HB LYS 28 -8.343 10.245 5.421 229 HG2 LYS 28 2HG LYS 28 -7.374 10.394 8.277 230 HG3 LYS 28 1HG LYS 28 -8.176 11.714 7.445 231 HD2 LYS 28 2HD LYS 28 -10.044 10.847 8.427 232 HD3 LYS 28 1HD LYS 28 -10.009 9.746 7.065 233 HE2 LYS 28 2HE LYS 28 -8.654 9.055 9.683 234 HE3 LYS 28 1HE LYS 28 -10.373 8.803 9.465 235 HZ1 LYS 28 3HZ LYS 28 -9.795 7.266 7.580 236 HZ2 LYS 28 1HZ LYS 28 -9.185 6.773 9.061 237 HZ3 LYS 28 2HZ LYS 28 -8.150 7.432 8.003 238 H GLU 29 H GLU 29 -4.940 8.548 4.953 239 HA GLU 29 HA GLU 29 -5.661 8.082 2.300 240 HB2 GLU 29 2HB GLU 29 -3.186 7.245 3.813 241 HB3 GLU 29 1HB GLU 29 -3.338 7.263 2.063 242 HG2 GLU 29 2HG GLU 29 -3.646 9.682 3.801 243 HG3 GLU 29 1HG GLU 29 -2.129 9.209 3.046 244 H ILE 30 H ILE 30 -4.857 5.863 4.911 245 HA ILE 30 HA ILE 30 -5.480 3.589 3.187 246 HB ILE 30 HB ILE 30 -4.702 2.129 5.017 247 HG12 ILE 30 2HG1 ILE 30 -4.130 4.713 6.502 248 HG13 ILE 30 1HG1 ILE 30 -5.364 3.547 6.944 249 HG21 ILE 30 1HG2 ILE 30 -2.336 2.784 4.970 250 HG22 ILE 30 2HG2 ILE 30 -2.797 4.356 4.316 251 HG23 ILE 30 3HG2 ILE 30 -3.096 2.889 3.381 252 HD11 ILE 30 3HD1 ILE 30 -2.384 3.094 6.968 253 HD12 ILE 30 1HD1 ILE 30 -3.602 1.886 7.382 254 HD13 ILE 30 2HD1 ILE 30 -3.424 3.333 8.373 255 H GLY 31 H GLY 31 -7.174 5.628 4.943 256 HA2 GLY 31 2HA GLY 31 -9.427 5.637 5.467 257 HA3 GLY 31 1HA GLY 31 -9.495 3.951 4.996 258 H LEU 32 H LEU 32 -7.124 3.989 7.173 259 HA LEU 32 HA LEU 32 -8.933 2.809 9.144 260 HB2 LEU 32 2HB LEU 32 -5.920 2.749 9.215 261 HB3 LEU 32 1HB LEU 32 -7.031 1.684 10.042 262 HG LEU 32 HG LEU 32 -6.262 1.708 7.145 263 HD11 LEU 32 1HD1 LEU 32 -5.718 -0.620 7.526 264 HD12 LEU 32 2HD1 LEU 32 -6.183 -0.445 9.218 265 HD13 LEU 32 3HD1 LEU 32 -4.817 0.468 8.581 266 HD21 LEU 32 3HD2 LEU 32 -8.613 1.535 7.123 267 HD22 LEU 32 1HD2 LEU 32 -8.621 0.240 8.338 268 HD23 LEU 32 2HD2 LEU 32 -7.917 -0.035 6.727 269 H ASP 33 H ASP 33 -7.220 3.011 11.422 270 HA ASP 33 HA ASP 33 -7.825 5.778 12.164 271 HB2 ASP 33 2HB ASP 33 -8.717 3.825 13.572 272 HB3 ASP 33 1HB ASP 33 -7.056 3.541 14.018 273 H LYS 34 H LYS 34 -6.380 6.942 13.421 274 HA LYS 34 HA LYS 34 -3.709 6.967 12.565 275 HB2 LYS 34 2HB LYS 34 -3.318 8.653 14.385 276 HB3 LYS 34 1HB LYS 34 -4.623 9.054 13.289 277 HG2 LYS 34 2HG LYS 34 -5.303 7.672 15.851 278 HG3 LYS 34 1HG LYS 34 -4.849 9.372 15.912 279 HD2 LYS 34 2HD LYS 34 -6.645 9.936 14.365 280 HD3 LYS 34 1HD LYS 34 -7.073 8.242 14.177 281 HE2 LYS 34 2HE LYS 34 -7.176 9.729 16.804 282 HE3 LYS 34 1HE LYS 34 -8.556 9.542 15.726 283 HZ1 LYS 34 3HZ LYS 34 -8.439 7.187 15.971 284 HZ2 LYS 34 1HZ LYS 34 -8.535 7.828 17.514 285 HZ3 LYS 34 2HZ LYS 34 -7.080 7.196 16.852 286 H SER 35 H SER 35 -5.232 5.325 15.255 287 HA SER 35 HA SER 35 -2.977 4.877 16.832 288 HB2 SER 35 2HB SER 35 -5.280 4.462 17.612 289 HB3 SER 35 1HB SER 35 -5.433 3.137 16.463 290 HG SER 35 HG SER 35 -4.731 2.806 18.839 291 H THR 36 H THR 36 -4.323 2.992 14.117 292 HA THR 36 HA THR 36 -2.317 1.024 14.466 293 HB THR 36 HB THR 36 -4.492 0.451 13.338 294 HG1 THR 36 HG1 THR 36 -2.399 -0.160 11.527 295 HG21 THR 36 3HG2 THR 36 -3.291 1.890 10.961 296 HG22 THR 36 1HG2 THR 36 -4.710 2.411 11.869 297 HG23 THR 36 2HG2 THR 36 -4.761 0.916 10.935 298 H VAL 37 H VAL 37 -2.541 3.917 12.439 299 HA VAL 37 HA VAL 37 -0.275 3.575 10.921 300 HB VAL 37 HB VAL 37 -1.530 5.997 12.126 301 HG11 VAL 37 1HG1 VAL 37 0.433 5.835 9.834 302 HG12 VAL 37 2HG1 VAL 37 0.726 6.488 11.452 303 HG13 VAL 37 3HG1 VAL 37 -0.404 7.297 10.385 304 HG21 VAL 37 3HG2 VAL 37 -1.866 4.730 9.423 305 HG22 VAL 37 1HG2 VAL 37 -2.573 6.270 9.908 306 HG23 VAL 37 2HG2 VAL 37 -3.054 4.782 10.726 307 H ASN 38 H ASN 38 -0.634 5.224 14.056 308 HA ASN 38 HA ASN 38 2.010 5.972 14.321 309 HB2 ASN 38 2HB ASN 38 -0.151 5.568 16.347 310 HB3 ASN 38 1HB ASN 38 1.495 5.878 16.880 311 HD21 ASN 38 2HD2 ASN 38 -0.743 8.849 15.335 312 HD22 ASN 38 1HD2 ASN 38 -1.287 7.196 15.282 313 H ARG 39 H ARG 39 0.474 3.008 15.397 314 HA ARG 39 HA ARG 39 2.786 2.107 16.803 315 HB2 ARG 39 2HB ARG 39 1.757 -0.098 16.909 316 HB3 ARG 39 1HB ARG 39 0.555 1.143 17.265 317 HG2 ARG 39 2HG ARG 39 -0.273 0.930 14.963 318 HG3 ARG 39 1HG ARG 39 0.907 -0.332 14.680 319 HD2 ARG 39 2HD ARG 39 -0.130 -1.713 16.406 320 HD3 ARG 39 1HD ARG 39 -1.322 -0.443 16.704 321 HE ARG 39 HE ARG 39 -1.412 -0.967 14.010 322 HH11 ARG 39 1HH1 ARG 39 -2.032 -2.845 16.929 323 HH12 ARG 39 2HH1 ARG 39 -3.212 -3.850 16.220 324 HH21 ARG 39 2HH2 ARG 39 -3.785 -3.509 13.866 325 HH22 ARG 39 1HH2 ARG 39 -2.991 -2.244 13.036 326 H HIS 40 H HIS 40 1.686 1.708 13.524 327 HA HIS 40 HA HIS 40 3.667 -0.234 12.860 328 HB2 HIS 40 2HB HIS 40 1.748 1.355 11.168 329 HB3 HIS 40 1HB HIS 40 3.034 0.433 10.434 330 HD1 HIS 40 HD1 HIS 40 2.675 -2.195 10.304 331 HD2 HIS 40 HD2 HIS 40 -0.262 -0.146 12.441 332 HE1 HIS 40 HE1 HIS 40 0.853 -3.842 10.753 333 H LEU 41 H LEU 41 3.524 3.236 12.699 334 HA LEU 41 HA LEU 41 5.877 3.320 11.085 335 HB2 LEU 41 2HB LEU 41 5.789 5.748 11.327 336 HB3 LEU 41 1HB LEU 41 4.284 5.079 10.741 337 HG LEU 41 HG LEU 41 3.557 5.259 13.223 338 HD11 LEU 41 1HD1 LEU 41 5.778 7.288 13.200 339 HD12 LEU 41 2HD1 LEU 41 5.694 5.815 14.169 340 HD13 LEU 41 3HD1 LEU 41 4.529 7.106 14.440 341 HD21 LEU 41 3HD2 LEU 41 3.884 7.657 11.464 342 HD22 LEU 41 1HD2 LEU 41 2.732 7.482 12.807 343 HD23 LEU 41 2HD2 LEU 41 2.632 6.414 11.390 344 H TYR 42 H TYR 42 5.145 3.417 14.543 345 HA TYR 42 HA TYR 42 7.511 4.355 15.431 346 HB2 TYR 42 2HB TYR 42 5.309 2.629 16.219 347 HB3 TYR 42 1HB TYR 42 6.686 2.594 17.238 348 HD1 TYR 42 HD1 TYR 42 3.995 3.332 18.103 349 HD2 TYR 42 HD2 TYR 42 7.015 5.818 16.476 350 HE1 TYR 42 HE1 TYR 42 2.947 5.302 19.183 351 HE2 TYR 42 HE2 TYR 42 5.999 7.783 17.535 352 HH TYR 42 HH TYR 42 3.726 8.447 18.339 353 H ASN 43 H ASN 43 6.417 1.221 14.399 354 HA ASN 43 HA ASN 43 8.675 -0.361 15.060 355 HB2 ASN 43 2HB ASN 43 6.878 -0.666 12.629 356 HB3 ASN 43 1HB ASN 43 7.953 -1.902 13.266 357 HD21 ASN 43 2HD2 ASN 43 4.363 -2.254 14.372 358 HD22 ASN 43 1HD2 ASN 43 5.071 -1.892 12.840 359 H LEU 44 H LEU 44 7.847 1.363 12.140 360 HA LEU 44 HA LEU 44 10.176 0.797 10.638 361 HB2 LEU 44 2HB LEU 44 8.470 3.239 10.387 362 HB3 LEU 44 1HB LEU 44 9.389 2.480 9.147 363 HG LEU 44 HG LEU 44 6.922 1.351 10.409 364 HD11 LEU 44 1HD1 LEU 44 7.416 2.560 7.697 365 HD12 LEU 44 2HD1 LEU 44 6.550 3.318 9.029 366 HD13 LEU 44 3HD1 LEU 44 5.908 1.858 8.284 367 HD21 LEU 44 3HD2 LEU 44 8.465 -0.408 9.695 368 HD22 LEU 44 1HD2 LEU 44 8.590 0.336 8.103 369 HD23 LEU 44 2HD2 LEU 44 7.053 -0.338 8.646 370 H GLN 45 H GLN 45 9.329 3.304 12.917 371 HA GLN 45 HA GLN 45 11.150 5.321 12.335 372 HB2 GLN 45 2HB GLN 45 9.187 5.371 13.944 373 HB3 GLN 45 1HB GLN 45 10.221 4.520 15.037 374 HG2 GLN 45 2HG GLN 45 11.685 6.235 15.367 375 HG3 GLN 45 1HG GLN 45 11.224 7.057 13.875 376 HE21 GLN 45 2HE2 GLN 45 8.599 8.762 15.226 377 HE22 GLN 45 1HE2 GLN 45 9.405 8.242 13.807 378 H ARG 46 H ARG 46 11.289 2.699 14.491 379 HA ARG 46 HA ARG 46 13.910 3.268 15.556 380 HB2 ARG 46 2HB ARG 46 12.150 0.858 15.678 381 HB3 ARG 46 1HB ARG 46 13.694 0.976 16.515 382 HG2 ARG 46 2HG ARG 46 12.936 2.718 17.887 383 HG3 ARG 46 1HG ARG 46 11.506 2.984 16.881 384 HD2 ARG 46 2HD ARG 46 12.036 0.368 18.026 385 HD3 ARG 46 1HD ARG 46 11.305 1.604 19.099 386 HE ARG 46 HE ARG 46 9.859 1.518 16.741 387 HH11 ARG 46 1HH1 ARG 46 10.633 -0.816 19.307 388 HH12 ARG 46 2HH1 ARG 46 9.170 -1.681 19.191 389 HH21 ARG 46 2HH2 ARG 46 7.514 -1.025 17.561 390 HH22 ARG 46 1HH2 ARG 46 7.809 0.311 16.597 391 H SER 47 H SER 47 12.754 1.659 12.912 392 HA SER 47 HA SER 47 15.259 0.265 12.371 393 HB2 SER 47 2HB SER 47 13.153 -0.973 12.042 394 HB3 SER 47 1HB SER 47 12.636 0.219 10.855 395 HG SER 47 HG SER 47 14.803 -0.428 9.868 396 H ASN 48 H ASN 48 14.243 3.422 11.929 397 HA ASN 48 HA ASN 48 14.675 5.092 10.572 398 HB2 ASN 48 2HB ASN 48 16.998 3.305 9.960 399 HB3 ASN 48 1HB ASN 48 16.837 4.862 9.142 400 HD21 ASN 48 2HD2 ASN 48 18.740 6.128 11.759 401 HD22 ASN 48 1HD2 ASN 48 18.632 5.759 10.063 402 H GLN 49 H GLN 49 12.835 3.201 9.674 403 HA GLN 49 HA GLN 49 13.225 3.064 6.761 404 HB2 GLN 49 2HB GLN 49 12.506 1.078 8.211 405 HB3 GLN 49 1HB GLN 49 11.015 1.908 8.517 406 HG2 GLN 49 2HG GLN 49 11.998 0.687 5.940 407 HG3 GLN 49 1HG GLN 49 10.605 0.218 6.897 408 HE21 GLN 49 2HE2 GLN 49 8.526 2.731 5.562 409 HE22 GLN 49 1HE2 GLN 49 8.817 1.681 6.905 410 H VAL 50 H VAL 50 11.432 4.449 9.399 411 HA VAL 50 HA VAL 50 10.503 6.521 7.660 412 HB VAL 50 HB VAL 50 8.637 4.698 8.283 413 HG11 VAL 50 1HG1 VAL 50 8.437 6.516 10.670 414 HG12 VAL 50 2HG1 VAL 50 9.216 4.975 10.715 415 HG13 VAL 50 3HG1 VAL 50 7.467 5.065 10.342 416 HG21 VAL 50 3HG2 VAL 50 6.913 6.453 8.177 417 HG22 VAL 50 1HG2 VAL 50 8.195 6.709 6.990 418 HG23 VAL 50 2HG2 VAL 50 8.157 7.672 8.469 419 H PHE 51 H PHE 51 10.143 8.398 9.057 420 HA PHE 51 HA PHE 51 10.366 8.366 11.813 421 HB2 PHE 51 2HB PHE 51 12.611 9.869 11.868 422 HB3 PHE 51 1HB PHE 51 12.666 8.127 11.910 423 HD1 PHE 51 HD1 PHE 51 13.906 6.969 10.459 424 HD2 PHE 51 HD2 PHE 51 12.936 10.995 9.541 425 HE1 PHE 51 HE1 PHE 51 15.435 6.856 8.605 426 HE2 PHE 51 HE2 PHE 51 14.489 10.928 7.627 427 HZ PHE 51 HZ PHE 51 15.752 8.860 7.139 428 H ASN 52 H ASN 52 11.333 11.084 12.138 429 HA ASN 52 HA ASN 52 9.279 12.512 10.605 430 HB2 ASN 52 2HB ASN 52 10.514 13.263 13.258 431 HB3 ASN 52 1HB ASN 52 9.256 14.106 12.404 432 HD21 ASN 52 2HD2 ASN 52 6.607 12.211 13.454 433 HD22 ASN 52 1HD2 ASN 52 7.188 13.466 12.421 434 H SER 53 H SER 53 9.950 14.548 9.749 435 HA SER 53 HA SER 53 12.827 14.988 9.668 436 HB2 SER 53 2HB SER 53 12.593 13.082 8.196 437 HB3 SER 53 1HB SER 53 11.255 13.834 7.348 438 HG SER 53 HG SER 53 13.834 14.993 7.417 439 H ASN 54 H ASN 54 13.407 16.809 8.322 440 HA ASN 54 HA ASN 54 13.279 18.644 7.041 441 HB2 ASN 54 2HB ASN 54 11.647 17.591 5.631 442 HB3 ASN 54 1HB ASN 54 10.352 17.973 6.748 443 HD21 ASN 54 2HD2 ASN 54 9.777 21.155 5.400 444 HD22 ASN 54 1HD2 ASN 54 9.308 20.041 6.587 445 H GLU 55 H GLU 55 11.452 18.609 10.002 446 HA GLU 55 HA GLU 55 11.840 21.436 10.282 447 HB2 GLU 55 2HB GLU 55 9.393 22.028 10.298 448 HB3 GLU 55 1HB GLU 55 10.100 21.664 8.733 449 HG2 GLU 55 2HG GLU 55 9.200 19.401 8.874 450 HG3 GLU 55 1HG GLU 55 8.366 19.804 10.369 451 H LYS 56 H LYS 56 9.942 22.212 12.007 452 HA LYS 56 HA LYS 56 10.720 20.823 14.382 453 HB2 LYS 56 2HB LYS 56 9.000 23.288 14.081 454 HB3 LYS 56 1HB LYS 56 9.344 22.525 15.626 455 HG2 LYS 56 2HG LYS 56 11.758 22.876 15.210 456 HG3 LYS 56 1HG LYS 56 11.343 23.731 13.726 457 HD2 LYS 56 2HD LYS 56 11.775 25.312 15.538 458 HD3 LYS 56 1HD LYS 56 10.086 25.388 15.041 459 HE2 LYS 56 2HE LYS 56 10.340 25.460 17.489 460 HE3 LYS 56 1HE LYS 56 9.429 24.048 16.978 461 HZ1 LYS 56 3HZ LYS 56 11.448 22.715 17.236 462 HZ2 LYS 56 1HZ LYS 56 11.040 23.489 18.681 463 HZ3 LYS 56 2HZ LYS 56 12.310 24.082 17.735 464 HA PRO 57 HA PRO 57 6.495 18.932 14.388 465 HB2 PRO 57 2HB PRO 57 4.637 19.773 12.448 466 HB3 PRO 57 1HB PRO 57 4.649 20.361 14.121 467 HG2 PRO 57 2HG PRO 57 5.147 21.902 11.830 468 HG3 PRO 57 1HG PRO 57 5.415 22.381 13.516 469 HD2 PRO 57 2HD PRO 57 7.369 21.368 11.518 470 HD3 PRO 57 1HD PRO 57 7.599 22.535 12.837 471 HA PRO 58 HA PRO 58 8.596 17.704 10.584 472 HB2 PRO 58 2HB PRO 58 10.006 15.550 11.534 473 HB3 PRO 58 1HB PRO 58 10.499 17.227 11.654 474 HG2 PRO 58 2HG PRO 58 9.706 15.541 13.832 475 HG3 PRO 58 1HG PRO 58 10.329 17.195 13.862 476 HD2 PRO 58 2HD PRO 58 7.562 16.271 14.053 477 HD3 PRO 58 1HD PRO 58 8.275 17.834 14.499 478 H VAL 59 H VAL 59 8.380 16.387 9.007 479 HA VAL 59 HA VAL 59 5.902 15.101 8.609 480 HB VAL 59 HB VAL 59 7.374 16.217 6.907 481 HG11 VAL 59 1HG1 VAL 59 9.040 14.889 5.705 482 HG12 VAL 59 2HG1 VAL 59 8.956 13.690 7.000 483 HG13 VAL 59 3HG1 VAL 59 9.495 15.329 7.350 484 HG21 VAL 59 3HG2 VAL 59 5.471 15.051 6.068 485 HG22 VAL 59 1HG2 VAL 59 6.266 13.486 6.311 486 HG23 VAL 59 2HG2 VAL 59 6.856 14.558 5.071 487 H TRP 60 H TRP 60 5.174 13.145 8.697 488 HA TRP 60 HA TRP 60 7.004 11.214 9.811 489 HB2 TRP 60 2HB TRP 60 4.026 10.927 9.219 490 HB3 TRP 60 1HB TRP 60 5.035 9.877 10.221 491 HD1 TRP 60 HD1 TRP 60 4.142 13.693 10.335 492 HE1 TRP 60 HE1 TRP 60 3.633 14.360 12.745 493 HE3 TRP 60 HE3 TRP 60 4.875 9.175 12.611 494 HZ2 TRP 60 HZ2 TRP 60 3.536 13.166 15.278 495 HZ3 TRP 60 HZ3 TRP 60 4.550 9.044 15.056 496 HH2 TRP 60 HH2 TRP 60 3.897 10.992 16.350 497 H ASP 61 H ASP 61 8.230 10.707 8.341 498 HA ASP 61 HA ASP 61 7.813 9.330 5.963 499 HB2 ASP 61 2HB ASP 61 6.622 11.253 5.141 500 HB3 ASP 61 1HB ASP 61 7.754 12.332 5.908 501 H LEU 62 H LEU 62 9.874 10.161 4.571 502 HA LEU 62 HA LEU 62 12.046 10.787 6.333 503 HB2 LEU 62 2HB LEU 62 13.450 8.936 5.686 504 HB3 LEU 62 1HB LEU 62 11.885 8.375 6.222 505 HG LEU 62 HG LEU 62 12.571 6.925 4.498 506 HD11 LEU 62 1HD1 LEU 62 10.921 7.130 2.722 507 HD12 LEU 62 2HD1 LEU 62 10.509 8.731 3.335 508 HD13 LEU 62 3HD1 LEU 62 10.269 7.310 4.350 509 HD21 LEU 62 3HD2 LEU 62 13.136 9.298 2.728 510 HD22 LEU 62 1HD2 LEU 62 13.197 7.611 2.216 511 HD23 LEU 62 2HD2 LEU 62 14.319 8.201 3.441 512 H MET 63 H MET 63 13.261 12.367 5.502 513 HA MET 63 HA MET 63 13.222 12.742 2.603 514 HB2 MET 63 2HB MET 63 11.369 14.064 3.729 515 HB3 MET 63 1HB MET 63 12.622 14.957 4.573 516 HG2 MET 63 2HG MET 63 11.884 16.265 2.725 517 HG3 MET 63 1HG MET 63 13.508 15.679 2.369 518 HE1 MET 63 3HE MET 63 11.902 15.776 -1.179 519 HE2 MET 63 1HE MET 63 13.267 16.260 -0.175 520 HE3 MET 63 2HE MET 63 11.661 16.917 0.144 521 H GLU 64 H GLU 64 15.087 12.217 5.237 522 HA GLU 64 HA GLU 64 17.324 13.528 4.199 523 HB2 GLU 64 2HB GLU 64 17.885 14.641 6.338 524 HB3 GLU 64 1HB GLU 64 16.372 15.277 5.724 525 HG2 GLU 64 2HG GLU 64 15.214 13.669 7.316 526 HG3 GLU 64 1HG GLU 64 16.797 13.406 8.038 Start of MODEL 8 1 HA MET 1 HA MET 1 9.153 -8.480 -3.735 2 HB2 MET 1 2HB MET 1 11.182 -7.984 -2.443 3 HB3 MET 1 1HB MET 1 10.872 -6.683 -3.578 4 HG2 MET 1 2HG MET 1 9.959 -5.313 -1.776 5 HG3 MET 1 1HG MET 1 10.218 -6.627 -0.636 6 HE1 MET 1 2HE MET 1 12.648 -5.441 -3.573 7 HE2 MET 1 3HE MET 1 13.643 -4.285 -2.690 8 HE3 MET 1 1HE MET 1 11.935 -3.948 -2.958 9 H SER 2 H SER 2 9.889 -9.850 -1.730 10 HA SER 2 HA SER 2 7.648 -9.824 0.100 11 HB2 SER 2 2HB SER 2 9.721 -11.956 -0.456 12 HB3 SER 2 1HB SER 2 8.215 -12.150 0.449 13 HG SER 2 HG SER 2 7.561 -12.773 -1.479 14 H ALA 3 H ALA 3 8.083 -8.671 1.894 15 HA ALA 3 HA ALA 3 10.280 -9.306 3.582 16 HB1 ALA 3 1HB ALA 3 11.102 -6.971 3.723 17 HB2 ALA 3 2HB ALA 3 10.040 -6.521 2.391 18 HB3 ALA 3 3HB ALA 3 11.372 -7.639 2.112 19 H GLU 4 H GLU 4 9.995 -8.007 5.594 20 HA GLU 4 HA GLU 4 7.236 -8.201 6.256 21 HB2 GLU 4 2HB GLU 4 7.948 -7.953 8.581 22 HB3 GLU 4 1HB GLU 4 8.992 -9.071 7.722 23 HG2 GLU 4 2HG GLU 4 9.655 -6.273 8.648 24 HG3 GLU 4 1HG GLU 4 10.376 -7.789 9.176 25 H THR 5 H THR 5 9.570 -5.492 6.474 26 HA THR 5 HA THR 5 7.621 -3.556 7.207 27 HB THR 5 HB THR 5 9.502 -1.942 6.672 28 HG1 THR 5 HG1 THR 5 11.053 -4.321 6.351 29 HG21 THR 5 3HG2 THR 5 10.162 -4.252 8.516 30 HG22 THR 5 1HG2 THR 5 9.168 -2.859 8.941 31 HG23 THR 5 2HG2 THR 5 10.879 -2.644 8.580 32 H GLN 6 H GLN 6 7.991 -5.066 4.456 33 HA GLN 6 HA GLN 6 7.852 -3.111 2.438 34 HB2 GLN 6 2HB GLN 6 8.436 -5.398 1.918 35 HB3 GLN 6 1HB GLN 6 6.900 -5.975 2.526 36 HG2 GLN 6 2HG GLN 6 6.751 -6.124 0.194 37 HG3 GLN 6 1HG GLN 6 5.828 -4.698 0.618 38 HE21 GLN 6 2HE2 GLN 6 8.788 -2.721 -0.723 39 HE22 GLN 6 1HE2 GLN 6 8.256 -2.972 0.879 40 H MET 7 H MET 7 5.529 -4.424 4.672 41 HA MET 7 HA MET 7 3.235 -3.639 3.135 42 HB2 MET 7 2HB MET 7 3.415 -4.349 6.068 43 HB3 MET 7 1HB MET 7 1.932 -4.199 5.141 44 HG2 MET 7 2HG MET 7 4.089 -6.263 4.756 45 HG3 MET 7 1HG MET 7 2.501 -6.524 5.470 46 HE1 MET 7 3HE MET 7 3.678 -8.347 3.173 47 HE2 MET 7 1HE MET 7 2.273 -8.525 2.123 48 HE3 MET 7 2HE MET 7 2.076 -8.576 3.874 49 H GLU 8 H GLU 8 4.802 -2.491 6.052 50 HA GLU 8 HA GLU 8 3.344 -0.220 6.549 51 HB2 GLU 8 2HB GLU 8 6.278 -0.769 6.988 52 HB3 GLU 8 1HB GLU 8 5.417 0.607 7.652 53 HG2 GLU 8 2HG GLU 8 5.825 -1.171 9.287 54 HG3 GLU 8 1HG GLU 8 4.120 -0.816 9.067 55 H ARG 9 H ARG 9 6.072 -0.696 4.429 56 HA ARG 9 HA ARG 9 6.338 2.114 3.890 57 HB2 ARG 9 2HB ARG 9 8.243 0.473 3.647 58 HB3 ARG 9 1HB ARG 9 7.418 -0.226 2.275 59 HG2 ARG 9 2HG ARG 9 9.291 1.255 1.624 60 HG3 ARG 9 1HG ARG 9 7.744 1.814 0.988 61 HD2 ARG 9 2HD ARG 9 7.623 3.573 2.530 62 HD3 ARG 9 1HD ARG 9 8.838 2.854 3.576 63 HE ARG 9 HE ARG 9 10.277 3.381 1.364 64 HH11 ARG 9 1HH1 ARG 9 7.861 5.446 2.761 65 HH12 ARG 9 2HH1 ARG 9 8.744 6.896 2.721 66 HH21 ARG 9 2HH2 ARG 9 10.960 6.804 1.767 67 HH22 ARG 9 1HH2 ARG 9 11.570 5.306 1.181 68 H LYS 10 H LYS 10 4.658 -0.508 2.309 69 HA LYS 10 HA LYS 10 4.084 0.912 -0.091 70 HB2 LYS 10 2HB LYS 10 2.644 -1.377 1.200 71 HB3 LYS 10 1HB LYS 10 2.123 -0.692 -0.324 72 HG2 LYS 10 2HG LYS 10 4.255 -1.306 -1.345 73 HG3 LYS 10 1HG LYS 10 4.811 -1.956 0.200 74 HD2 LYS 10 2HD LYS 10 2.421 -2.961 -1.367 75 HD3 LYS 10 1HD LYS 10 4.004 -3.736 -1.312 76 HE2 LYS 10 2HE LYS 10 3.758 -4.044 1.116 77 HE3 LYS 10 1HE LYS 10 2.172 -3.286 1.052 78 HZ1 LYS 10 3HZ LYS 10 1.379 -5.087 -0.311 79 HZ2 LYS 10 1HZ LYS 10 2.053 -5.667 1.128 80 HZ3 LYS 10 2HZ LYS 10 2.918 -5.812 -0.316 81 H ILE 11 H ILE 11 2.362 0.781 3.009 82 HA ILE 11 HA ILE 11 0.095 2.081 1.890 83 HB ILE 11 HB ILE 11 -0.672 2.242 4.215 84 HG12 ILE 11 2HG1 ILE 11 2.027 1.021 4.813 85 HG13 ILE 11 1HG1 ILE 11 1.376 2.535 5.417 86 HG21 ILE 11 1HG2 ILE 11 -1.140 0.259 2.868 87 HG22 ILE 11 2HG2 ILE 11 -0.841 -0.226 4.552 88 HG23 ILE 11 3HG2 ILE 11 0.435 -0.393 3.332 89 HD11 ILE 11 3HD1 ILE 11 -0.309 1.249 6.665 90 HD12 ILE 11 1HD1 ILE 11 1.370 0.857 7.115 91 HD13 ILE 11 2HD1 ILE 11 0.478 -0.212 6.031 92 H ILE 12 H ILE 12 2.920 3.054 3.750 93 HA ILE 12 HA ILE 12 1.853 5.675 3.865 94 HB ILE 12 HB ILE 12 3.641 6.361 5.112 95 HG12 ILE 12 2HG1 ILE 12 5.754 4.613 5.070 96 HG13 ILE 12 1HG1 ILE 12 5.214 4.636 3.412 97 HG21 ILE 12 1HG2 ILE 12 3.515 3.453 5.727 98 HG22 ILE 12 2HG2 ILE 12 2.495 4.738 6.376 99 HG23 ILE 12 3HG2 ILE 12 4.216 4.691 6.768 100 HD11 ILE 12 3HD1 ILE 12 6.885 6.462 3.715 101 HD12 ILE 12 1HD1 ILE 12 5.859 7.177 4.947 102 HD13 ILE 12 2HD1 ILE 12 5.309 7.119 3.302 103 H ASP 13 H ASP 13 3.830 3.854 1.528 104 HA ASP 13 HA ASP 13 4.979 5.931 0.239 105 HB2 ASP 13 2HB ASP 13 4.135 3.183 -0.442 106 HB3 ASP 13 1HB ASP 13 4.615 4.259 -1.733 107 H PHE 14 H PHE 14 1.824 4.465 -0.013 108 HA PHE 14 HA PHE 14 0.793 5.909 -2.130 109 HB2 PHE 14 2HB PHE 14 -0.427 4.060 -1.188 110 HB3 PHE 14 1HB PHE 14 -0.469 4.821 0.395 111 HD1 PHE 14 HD1 PHE 14 -1.854 4.840 -2.977 112 HD2 PHE 14 HD2 PHE 14 -2.012 6.470 0.905 113 HE1 PHE 14 HE1 PHE 14 -4.048 5.851 -3.517 114 HE2 PHE 14 HE2 PHE 14 -4.185 7.493 0.432 115 HZ PHE 14 HZ PHE 14 -5.228 7.186 -1.806 116 H LEU 15 H LEU 15 0.645 6.666 1.413 117 HA LEU 15 HA LEU 15 -0.420 9.176 1.116 118 HB2 LEU 15 2HB LEU 15 -0.738 8.477 3.043 119 HB3 LEU 15 1HB LEU 15 0.643 7.408 3.158 120 HG LEU 15 HG LEU 15 0.473 8.901 4.942 121 HD11 LEU 15 1HD1 LEU 15 2.706 10.034 4.972 122 HD12 LEU 15 2HD1 LEU 15 2.845 9.648 3.255 123 HD13 LEU 15 3HD1 LEU 15 2.733 8.351 4.444 124 HD21 LEU 15 3HD2 LEU 15 0.512 11.145 2.973 125 HD22 LEU 15 1HD2 LEU 15 0.850 11.397 4.689 126 HD23 LEU 15 2HD2 LEU 15 -0.715 10.768 4.201 127 H ARG 16 H ARG 16 2.827 8.087 1.104 128 HA ARG 16 HA ARG 16 4.235 10.415 1.293 129 HB2 ARG 16 2HB ARG 16 5.437 8.453 1.460 130 HB3 ARG 16 1HB ARG 16 4.630 7.770 0.064 131 HG2 ARG 16 2HG ARG 16 5.977 8.973 -1.414 132 HG3 ARG 16 1HG ARG 16 6.673 9.931 -0.109 133 HD2 ARG 16 2HD ARG 16 7.667 7.871 0.842 134 HD3 ARG 16 1HD ARG 16 6.886 6.914 -0.407 135 HE ARG 16 HE ARG 16 8.784 8.932 -1.280 136 HH11 ARG 16 1HH1 ARG 16 8.172 5.427 -0.635 137 HH12 ARG 16 2HH1 ARG 16 9.639 4.988 -1.393 138 HH21 ARG 16 2HH2 ARG 16 11.008 6.397 -2.318 139 HH22 ARG 16 1HH2 ARG 16 10.823 8.087 -2.385 140 H GLN 17 H GLN 17 2.911 8.815 -1.463 141 HA GLN 17 HA GLN 17 3.764 10.661 -3.448 142 HB2 GLN 17 2HB GLN 17 1.504 8.667 -3.527 143 HB3 GLN 17 1HB GLN 17 2.046 9.608 -4.907 144 HG2 GLN 17 2HG GLN 17 4.239 8.542 -4.775 145 HG3 GLN 17 1HG GLN 17 3.702 7.606 -3.380 146 HE21 GLN 17 2HE2 GLN 17 1.600 6.666 -6.704 147 HE22 GLN 17 1HE2 GLN 17 1.647 8.300 -6.131 148 H ASN 18 H ASN 18 0.926 10.570 -1.334 149 HA ASN 18 HA ASN 18 -0.272 12.768 -2.818 150 HB2 ASN 18 2HB ASN 18 -1.071 11.452 -0.199 151 HB3 ASN 18 1HB ASN 18 -1.964 12.776 -0.939 152 HD21 ASN 18 2HD2 ASN 18 -2.255 9.011 -2.379 153 HD22 ASN 18 1HD2 ASN 18 -1.076 9.421 -1.204 154 H GLY 19 H GLY 19 1.575 12.192 -0.007 155 HA2 GLY 19 2HA GLY 19 3.110 14.325 0.100 156 HA3 GLY 19 1HA GLY 19 1.613 14.960 0.772 157 H LYS 20 H LYS 20 4.335 12.744 1.307 158 HA LYS 20 HA LYS 20 4.109 11.493 3.592 159 HB2 LYS 20 2HB LYS 20 6.379 12.507 4.104 160 HB3 LYS 20 1HB LYS 20 6.208 11.719 2.534 161 HG2 LYS 20 2HG LYS 20 5.964 13.837 1.419 162 HG3 LYS 20 1HG LYS 20 5.869 14.683 2.953 163 HD2 LYS 20 2HD LYS 20 8.226 14.044 3.383 164 HD3 LYS 20 1HD LYS 20 8.279 13.310 1.770 165 HE2 LYS 20 2HE LYS 20 7.916 15.351 0.728 166 HE3 LYS 20 1HE LYS 20 7.405 16.125 2.220 167 HZ1 LYS 20 3HZ LYS 20 10.233 15.253 1.664 168 HZ2 LYS 20 1HZ LYS 20 9.643 15.957 3.069 169 HZ3 LYS 20 2HZ LYS 20 9.617 16.854 1.735 170 H SER 21 H SER 21 3.637 11.990 5.841 171 HA SER 21 HA SER 21 3.451 14.671 6.749 172 HB2 SER 21 2HB SER 21 0.907 13.300 5.854 173 HB3 SER 21 1HB SER 21 0.923 14.647 6.975 174 HG SER 21 HG SER 21 1.652 14.569 4.257 175 H ILE 22 H ILE 22 1.501 14.409 8.665 176 HA ILE 22 HA ILE 22 2.846 12.697 10.517 177 HB ILE 22 HB ILE 22 1.268 13.610 12.188 178 HG12 ILE 22 2HG1 ILE 22 0.129 15.186 9.854 179 HG13 ILE 22 1HG1 ILE 22 -0.689 13.873 10.688 180 HG21 ILE 22 1HG2 ILE 22 3.350 14.778 11.750 181 HG22 ILE 22 2HG2 ILE 22 2.072 15.940 12.098 182 HG23 ILE 22 3HG2 ILE 22 2.598 15.679 10.436 183 HD11 ILE 22 3HD1 ILE 22 -1.528 16.034 11.403 184 HD12 ILE 22 1HD1 ILE 22 0.095 16.523 11.890 185 HD13 ILE 22 2HD1 ILE 22 -0.723 15.211 12.737 186 H ALA 23 H ALA 23 1.471 11.462 12.094 187 HA ALA 23 HA ALA 23 0.440 9.179 10.943 188 HB1 ALA 23 1HB ALA 23 1.296 9.322 13.233 189 HB2 ALA 23 2HB ALA 23 -0.293 8.558 13.171 190 HB3 ALA 23 3HB ALA 23 -0.140 10.231 13.704 191 H LEU 24 H LEU 24 -1.265 12.090 11.871 192 HA LEU 24 HA LEU 24 -3.879 10.985 11.882 193 HB2 LEU 24 2HB LEU 24 -3.167 13.082 13.066 194 HB3 LEU 24 1HB LEU 24 -2.985 13.864 11.522 195 HG LEU 24 HG LEU 24 -5.024 14.510 12.835 196 HD11 LEU 24 1HD1 LEU 24 -5.580 13.328 10.126 197 HD12 LEU 24 2HD1 LEU 24 -4.981 14.953 10.466 198 HD13 LEU 24 3HD1 LEU 24 -6.602 14.487 10.977 199 HD21 LEU 24 3HD2 LEU 24 -6.942 13.000 12.868 200 HD22 LEU 24 1HD2 LEU 24 -5.578 12.341 13.771 201 HD23 LEU 24 2HD2 LEU 24 -5.954 11.722 12.161 202 H THR 25 H THR 25 -1.765 12.355 9.438 203 HA THR 25 HA THR 25 -3.800 12.602 7.477 204 HB THR 25 HB THR 25 -0.827 12.418 7.100 205 HG1 THR 25 HG1 THR 25 -2.518 14.462 8.045 206 HG21 THR 25 3HG2 THR 25 -1.305 13.616 5.034 207 HG22 THR 25 1HG2 THR 25 -3.013 13.789 5.519 208 HG23 THR 25 2HG2 THR 25 -2.372 12.201 5.188 209 H ILE 26 H ILE 26 -1.122 10.349 8.098 210 HA ILE 26 HA ILE 26 -1.455 8.602 6.015 211 HB ILE 26 HB ILE 26 -0.918 7.580 8.836 212 HG12 ILE 26 2HG1 ILE 26 1.074 8.697 6.805 213 HG13 ILE 26 1HG1 ILE 26 0.583 9.528 8.273 214 HG21 ILE 26 1HG2 ILE 26 -0.167 6.614 6.104 215 HG22 ILE 26 2HG2 ILE 26 -1.419 5.973 7.164 216 HG23 ILE 26 3HG2 ILE 26 0.288 5.836 7.643 217 HD11 ILE 26 3HD1 ILE 26 1.585 7.738 9.602 218 HD12 ILE 26 1HD1 ILE 26 2.755 8.488 8.517 219 HD13 ILE 26 2HD1 ILE 26 2.067 6.914 8.119 220 H ALA 27 H ALA 27 -3.201 8.657 9.059 221 HA ALA 27 HA ALA 27 -4.754 6.394 8.797 222 HB1 ALA 27 1HB ALA 27 -5.522 8.987 10.107 223 HB2 ALA 27 2HB ALA 27 -4.520 7.724 10.820 224 HB3 ALA 27 3HB ALA 27 -6.217 7.392 10.441 225 H LYS 28 H LYS 28 -5.436 9.695 7.575 226 HA LYS 28 HA LYS 28 -8.017 8.855 6.656 227 HB2 LYS 28 2HB LYS 28 -8.098 10.929 5.426 228 HB3 LYS 28 1HB LYS 28 -7.786 11.181 7.182 229 HG2 LYS 28 2HG LYS 28 -5.597 11.872 6.680 230 HG3 LYS 28 1HG LYS 28 -5.696 11.242 5.039 231 HD2 LYS 28 2HD LYS 28 -7.322 13.559 6.094 232 HD3 LYS 28 1HD LYS 28 -5.834 13.717 5.162 233 HE2 LYS 28 2HE LYS 28 -8.453 12.502 4.204 234 HE3 LYS 28 1HE LYS 28 -7.736 14.016 3.688 235 HZ1 LYS 28 3HZ LYS 28 -7.121 12.465 1.961 236 HZ2 LYS 28 1HZ LYS 28 -6.714 11.271 3.078 237 HZ3 LYS 28 2HZ LYS 28 -5.770 12.557 2.952 238 H GLU 29 H GLU 29 -4.981 9.363 5.294 239 HA GLU 29 HA GLU 29 -5.595 9.052 2.549 240 HB2 GLU 29 2HB GLU 29 -2.995 8.139 3.781 241 HB3 GLU 29 1HB GLU 29 -3.278 8.511 2.095 242 HG2 GLU 29 2HG GLU 29 -3.019 10.358 4.425 243 HG3 GLU 29 1HG GLU 29 -2.110 10.305 2.926 244 H ILE 30 H ILE 30 -4.553 6.627 4.883 245 HA ILE 30 HA ILE 30 -4.946 4.589 2.849 246 HB ILE 30 HB ILE 30 -4.071 2.943 4.444 247 HG12 ILE 30 2HG1 ILE 30 -3.785 5.279 6.359 248 HG13 ILE 30 1HG1 ILE 30 -4.926 3.959 6.552 249 HG21 ILE 30 1HG2 ILE 30 -2.425 5.447 4.154 250 HG22 ILE 30 2HG2 ILE 30 -2.486 4.076 3.041 251 HG23 ILE 30 3HG2 ILE 30 -1.781 3.887 4.650 252 HD11 ILE 30 3HD1 ILE 30 -3.023 2.396 6.771 253 HD12 ILE 30 1HD1 ILE 30 -3.012 3.649 8.006 254 HD13 ILE 30 2HD1 ILE 30 -1.914 3.755 6.630 255 H GLY 31 H GLY 31 -6.806 6.067 5.145 256 HA2 GLY 31 2HA GLY 31 -9.013 5.767 5.696 257 HA3 GLY 31 1HA GLY 31 -9.049 4.403 4.588 258 H LEU 32 H LEU 32 -6.733 4.544 7.141 259 HA LEU 32 HA LEU 32 -8.201 2.351 8.436 260 HB2 LEU 32 2HB LEU 32 -5.197 2.673 8.501 261 HB3 LEU 32 1HB LEU 32 -6.122 1.332 9.125 262 HG LEU 32 HG LEU 32 -5.432 1.992 6.285 263 HD11 LEU 32 1HD1 LEU 32 -5.108 -0.508 7.891 264 HD12 LEU 32 2HD1 LEU 32 -3.856 0.669 7.522 265 HD13 LEU 32 3HD1 LEU 32 -4.594 -0.268 6.222 266 HD21 LEU 32 3HD2 LEU 32 -7.609 0.092 7.167 267 HD22 LEU 32 1HD2 LEU 32 -6.886 0.157 5.541 268 HD23 LEU 32 2HD2 LEU 32 -7.734 1.561 6.171 269 H ASP 33 H ASP 33 -7.393 2.066 10.761 270 HA ASP 33 HA ASP 33 -8.079 4.519 12.073 271 HB2 ASP 33 2HB ASP 33 -8.974 2.313 12.843 272 HB3 ASP 33 1HB ASP 33 -7.349 1.832 13.267 273 H LYS 34 H LYS 34 -6.929 5.175 13.969 274 HA LYS 34 HA LYS 34 -4.261 5.968 13.598 275 HB2 LYS 34 2HB LYS 34 -4.458 6.745 15.936 276 HB3 LYS 34 1HB LYS 34 -5.904 7.150 15.012 277 HG2 LYS 34 2HG LYS 34 -6.795 4.884 15.920 278 HG3 LYS 34 1HG LYS 34 -5.542 5.082 17.134 279 HD2 LYS 34 2HD LYS 34 -6.538 7.168 17.849 280 HD3 LYS 34 1HD LYS 34 -7.728 7.070 16.542 281 HE2 LYS 34 2HE LYS 34 -7.431 5.166 18.866 282 HE3 LYS 34 1HE LYS 34 -8.756 6.293 18.588 283 HZ1 LYS 34 3HZ LYS 34 -9.493 4.094 17.858 284 HZ2 LYS 34 1HZ LYS 34 -8.115 3.877 16.920 285 HZ3 LYS 34 2HZ LYS 34 -9.174 4.969 16.442 286 H SER 35 H SER 35 -5.673 3.039 15.078 287 HA SER 35 HA SER 35 -3.404 2.317 16.594 288 HB2 SER 35 2HB SER 35 -5.686 1.453 17.058 289 HB3 SER 35 1HB SER 35 -5.667 0.606 15.514 290 HG SER 35 HG SER 35 -4.462 -0.013 17.907 291 H THR 36 H THR 36 -4.560 1.644 13.310 292 HA THR 36 HA THR 36 -2.519 -0.142 12.724 293 HB THR 36 HB THR 36 -3.364 0.999 10.325 294 HG1 THR 36 HG1 THR 36 -4.981 2.215 11.299 295 HG21 THR 36 3HG2 THR 36 -4.588 -1.202 11.943 296 HG22 THR 36 1HG2 THR 36 -3.175 -1.394 10.891 297 HG23 THR 36 2HG2 THR 36 -4.752 -0.988 10.188 298 H VAL 37 H VAL 37 -2.874 3.385 11.919 299 HA VAL 37 HA VAL 37 -0.501 3.661 10.548 300 HB VAL 37 HB VAL 37 -1.913 5.561 12.359 301 HG11 VAL 37 1HG1 VAL 37 -0.900 7.328 10.917 302 HG12 VAL 37 2HG1 VAL 37 0.083 6.067 10.150 303 HG13 VAL 37 3HG1 VAL 37 0.252 6.412 11.875 304 HG21 VAL 37 3HG2 VAL 37 -2.240 5.073 9.413 305 HG22 VAL 37 1HG2 VAL 37 -2.999 6.390 10.301 306 HG23 VAL 37 2HG2 VAL 37 -3.416 4.722 10.685 307 H ASN 38 H ASN 38 -1.118 4.132 14.030 308 HA ASN 38 HA ASN 38 1.471 4.931 14.657 309 HB2 ASN 38 2HB ASN 38 -0.733 3.803 16.332 310 HB3 ASN 38 1HB ASN 38 0.871 4.013 17.025 311 HD21 ASN 38 2HD2 ASN 38 -1.507 7.194 16.373 312 HD22 ASN 38 1HD2 ASN 38 -1.946 5.604 15.807 313 H ARG 39 H ARG 39 0.074 1.713 14.615 314 HA ARG 39 HA ARG 39 2.335 0.493 15.853 315 HB2 ARG 39 2HB ARG 39 1.438 -1.654 15.274 316 HB3 ARG 39 1HB ARG 39 0.067 -0.610 15.640 317 HG2 ARG 39 2HG ARG 39 -0.291 -0.322 13.212 318 HG3 ARG 39 1HG ARG 39 1.025 -1.453 12.913 319 HD2 ARG 39 2HD ARG 39 -1.061 -2.621 12.721 320 HD3 ARG 39 1HD ARG 39 -0.242 -3.169 14.180 321 HE ARG 39 HE ARG 39 -1.879 -1.119 14.972 322 HH11 ARG 39 1HH1 ARG 39 -2.359 -4.217 13.355 323 HH12 ARG 39 2HH1 ARG 39 -3.900 -4.531 14.005 324 HH21 ARG 39 2HH2 ARG 39 -4.884 -2.915 15.515 325 HH22 ARG 39 1HH2 ARG 39 -4.042 -1.507 15.919 326 H HIS 40 H HIS 40 1.527 1.213 12.575 327 HA HIS 40 HA HIS 40 3.674 -0.286 11.438 328 HB2 HIS 40 2HB HIS 40 1.873 1.833 10.315 329 HB3 HIS 40 1HB HIS 40 3.124 1.095 9.347 330 HD1 HIS 40 HD1 HIS 40 2.673 -1.924 9.379 331 HD2 HIS 40 HD2 HIS 40 -0.509 0.722 9.983 332 HE1 HIS 40 HE1 HIS 40 0.624 -3.199 8.964 333 H LEU 41 H LEU 41 3.257 3.081 12.384 334 HA LEU 41 HA LEU 41 5.727 3.827 11.156 335 HB2 LEU 41 2HB LEU 41 5.414 6.016 12.186 336 HB3 LEU 41 1HB LEU 41 4.058 5.532 11.186 337 HG LEU 41 HG LEU 41 3.044 4.812 13.494 338 HD11 LEU 41 1HD1 LEU 41 4.990 5.244 14.864 339 HD12 LEU 41 2HD1 LEU 41 3.641 6.274 15.339 340 HD13 LEU 41 3HD1 LEU 41 4.968 6.945 14.388 341 HD21 LEU 41 3HD2 LEU 41 1.942 6.901 13.660 342 HD22 LEU 41 1HD2 LEU 41 2.183 6.437 11.983 343 HD23 LEU 41 2HD2 LEU 41 3.210 7.700 12.701 344 H TYR 42 H TYR 42 4.722 2.808 14.344 345 HA TYR 42 HA TYR 42 6.952 3.667 15.658 346 HB2 TYR 42 2HB TYR 42 4.689 1.986 15.985 347 HB3 TYR 42 1HB TYR 42 6.029 1.433 16.912 348 HD1 TYR 42 HD1 TYR 42 7.125 3.317 18.362 349 HD2 TYR 42 HD2 TYR 42 3.292 3.606 16.693 350 HE1 TYR 42 HE1 TYR 42 6.579 5.073 20.029 351 HE2 TYR 42 HE2 TYR 42 2.676 5.383 18.339 352 HH TYR 42 HH TYR 42 3.381 6.189 20.503 353 H ASN 43 H ASN 43 6.169 0.828 13.922 354 HA ASN 43 HA ASN 43 8.563 -0.558 14.676 355 HB2 ASN 43 2HB ASN 43 6.534 -1.108 12.536 356 HB3 ASN 43 1HB ASN 43 8.059 -1.988 12.538 357 HD21 ASN 43 2HD2 ASN 43 5.218 -2.857 15.254 358 HD22 ASN 43 1HD2 ASN 43 5.034 -1.482 14.212 359 H LEU 44 H LEU 44 7.695 1.405 11.918 360 HA LEU 44 HA LEU 44 10.226 1.042 10.674 361 HB2 LEU 44 2HB LEU 44 8.336 3.340 10.236 362 HB3 LEU 44 1HB LEU 44 9.646 2.870 9.239 363 HG LEU 44 HG LEU 44 7.144 1.264 9.632 364 HD11 LEU 44 1HD1 LEU 44 6.764 3.232 8.292 365 HD12 LEU 44 2HD1 LEU 44 6.841 1.842 7.194 366 HD13 LEU 44 3HD1 LEU 44 8.215 2.920 7.353 367 HD21 LEU 44 3HD2 LEU 44 9.555 0.750 7.876 368 HD22 LEU 44 1HD2 LEU 44 8.056 -0.176 7.850 369 HD23 LEU 44 2HD2 LEU 44 9.077 -0.198 9.284 370 H GLN 45 H GLN 45 9.083 3.204 13.217 371 HA GLN 45 HA GLN 45 10.960 5.257 12.813 372 HB2 GLN 45 2HB GLN 45 8.929 5.566 14.044 373 HB3 GLN 45 1HB GLN 45 9.437 4.381 15.236 374 HG2 GLN 45 2HG GLN 45 11.080 5.780 16.102 375 HG3 GLN 45 1HG GLN 45 11.043 6.826 14.673 376 HE21 GLN 45 2HE2 GLN 45 8.420 8.716 15.704 377 HE22 GLN 45 1HE2 GLN 45 9.522 8.307 14.456 378 H ARG 46 H ARG 46 10.841 2.288 14.581 379 HA ARG 46 HA ARG 46 13.335 2.773 16.002 380 HB2 ARG 46 2HB ARG 46 11.823 0.183 15.794 381 HB3 ARG 46 1HB ARG 46 12.962 0.658 17.055 382 HG2 ARG 46 2HG ARG 46 10.236 1.855 16.557 383 HG3 ARG 46 1HG ARG 46 10.680 0.785 17.886 384 HD2 ARG 46 2HD ARG 46 11.795 2.428 19.008 385 HD3 ARG 46 1HD ARG 46 12.248 3.291 17.543 386 HE ARG 46 HE ARG 46 9.830 3.877 17.402 387 HH11 ARG 46 1HH1 ARG 46 11.303 3.230 20.568 388 HH12 ARG 46 2HH1 ARG 46 10.490 4.469 21.403 389 HH21 ARG 46 2HH2 ARG 46 8.968 5.912 20.217 390 HH22 ARG 46 1HH2 ARG 46 8.751 5.704 18.555 391 H SER 47 H SER 47 12.363 1.574 13.033 392 HA SER 47 HA SER 47 14.808 0.073 12.635 393 HB2 SER 47 2HB SER 47 12.691 -0.946 11.891 394 HB3 SER 47 1HB SER 47 12.383 0.442 10.854 395 HG SER 47 HG SER 47 14.635 -0.229 10.032 396 H ASN 48 H ASN 48 13.855 3.298 12.477 397 HA ASN 48 HA ASN 48 14.670 5.155 11.530 398 HB2 ASN 48 2HB ASN 48 16.819 3.969 12.167 399 HB3 ASN 48 1HB ASN 48 16.947 3.415 10.508 400 HD21 ASN 48 2HD2 ASN 48 17.954 7.208 11.502 401 HD22 ASN 48 1HD2 ASN 48 17.166 6.157 12.638 402 H GLN 49 H GLN 49 12.826 3.488 10.167 403 HA GLN 49 HA GLN 49 13.553 3.785 7.321 404 HB2 GLN 49 2HB GLN 49 12.807 1.508 8.448 405 HB3 GLN 49 1HB GLN 49 11.208 2.194 8.390 406 HG2 GLN 49 2HG GLN 49 12.975 1.357 6.103 407 HG3 GLN 49 1HG GLN 49 11.373 0.771 6.519 408 HE21 GLN 49 2HE2 GLN 49 9.772 3.466 4.912 409 HE22 GLN 49 1HE2 GLN 49 9.576 2.227 6.124 410 H VAL 50 H VAL 50 11.468 4.684 9.934 411 HA VAL 50 HA VAL 50 10.503 6.789 8.261 412 HB VAL 50 HB VAL 50 8.737 4.781 8.646 413 HG11 VAL 50 1HG1 VAL 50 8.963 4.964 11.068 414 HG12 VAL 50 2HG1 VAL 50 7.267 5.127 10.526 415 HG13 VAL 50 3HG1 VAL 50 8.198 6.548 11.022 416 HG21 VAL 50 3HG2 VAL 50 6.914 6.400 8.361 417 HG22 VAL 50 1HG2 VAL 50 8.296 6.731 7.316 418 HG23 VAL 50 2HG2 VAL 50 8.038 7.702 8.766 419 H PHE 51 H PHE 51 10.384 8.512 9.462 420 HA PHE 51 HA PHE 51 9.918 8.630 12.199 421 HB2 PHE 51 2HB PHE 51 12.137 9.713 12.964 422 HB3 PHE 51 1HB PHE 51 12.133 7.974 12.721 423 HD1 PHE 51 HD1 PHE 51 13.333 11.173 11.386 424 HD2 PHE 51 HD2 PHE 51 13.436 6.951 11.092 425 HE1 PHE 51 HE1 PHE 51 15.338 11.324 9.940 426 HE2 PHE 51 HE2 PHE 51 15.395 7.050 9.685 427 HZ PHE 51 HZ PHE 51 16.380 9.259 9.080 428 H ASN 52 H ASN 52 10.400 10.983 13.086 429 HA ASN 52 HA ASN 52 9.378 12.691 11.018 430 HB2 ASN 52 2HB ASN 52 9.207 14.383 12.914 431 HB3 ASN 52 1HB ASN 52 8.069 13.057 12.840 432 HD21 ASN 52 2HD2 ASN 52 9.604 13.698 16.280 433 HD22 ASN 52 1HD2 ASN 52 8.995 14.781 15.065 434 H SER 53 H SER 53 10.414 14.259 10.106 435 HA SER 53 HA SER 53 13.059 14.832 11.096 436 HB2 SER 53 2HB SER 53 13.283 12.668 10.015 437 HB3 SER 53 1HB SER 53 12.573 13.335 8.549 438 HG SER 53 HG SER 53 14.364 14.200 8.045 439 H ASN 54 H ASN 54 14.000 16.321 10.210 440 HA ASN 54 HA ASN 54 14.849 18.118 9.161 441 HB2 ASN 54 2HB ASN 54 15.452 17.658 6.906 442 HB3 ASN 54 1HB ASN 54 15.314 16.201 7.918 443 HD21 ASN 54 2HD2 ASN 54 12.716 16.574 4.821 444 HD22 ASN 54 1HD2 ASN 54 13.617 17.953 5.340 445 H GLU 55 H GLU 55 11.478 17.927 8.303 446 HA GLU 55 HA GLU 55 12.014 20.451 7.012 447 HB2 GLU 55 2HB GLU 55 9.869 20.036 5.658 448 HB3 GLU 55 1HB GLU 55 11.340 19.179 5.248 449 HG2 GLU 55 2HG GLU 55 10.390 17.300 6.722 450 HG3 GLU 55 1HG GLU 55 8.848 18.134 6.523 451 H LYS 56 H LYS 56 9.647 21.665 6.680 452 HA LYS 56 HA LYS 56 9.426 22.619 9.307 453 HB2 LYS 56 2HB LYS 56 8.325 23.547 6.702 454 HB3 LYS 56 1HB LYS 56 7.622 24.172 8.189 455 HG2 LYS 56 2HG LYS 56 9.405 25.594 7.197 456 HG3 LYS 56 1HG LYS 56 9.706 25.111 8.873 457 HD2 LYS 56 2HD LYS 56 10.901 23.254 6.992 458 HD3 LYS 56 1HD LYS 56 11.449 24.896 6.673 459 HE2 LYS 56 2HE LYS 56 12.973 23.754 8.226 460 HE3 LYS 56 1HE LYS 56 12.185 25.113 9.012 461 HZ1 LYS 56 3HZ LYS 56 12.325 23.115 10.424 462 HZ2 LYS 56 1HZ LYS 56 11.360 22.245 9.362 463 HZ3 LYS 56 2HZ LYS 56 10.726 23.566 10.186 464 HA PRO 57 HA PRO 57 5.408 20.402 9.663 465 HB2 PRO 57 2HB PRO 57 5.014 18.662 7.360 466 HB3 PRO 57 1HB PRO 57 3.913 19.925 7.938 467 HG2 PRO 57 2HG PRO 57 5.211 20.080 5.567 468 HG3 PRO 57 1HG PRO 57 4.706 21.494 6.515 469 HD2 PRO 57 2HD PRO 57 7.404 20.242 6.309 470 HD3 PRO 57 1HD PRO 57 6.952 21.961 6.361 471 HA PRO 58 HA PRO 58 8.651 17.353 10.699 472 HB2 PRO 58 2HB PRO 58 6.433 16.273 12.383 473 HB3 PRO 58 1HB PRO 58 8.092 16.693 12.863 474 HG2 PRO 58 2HG PRO 58 6.078 18.249 13.567 475 HG3 PRO 58 1HG PRO 58 7.642 18.931 13.075 476 HD2 PRO 58 2HD PRO 58 5.084 18.830 11.553 477 HD3 PRO 58 1HD PRO 58 6.345 20.079 11.582 478 H VAL 59 H VAL 59 8.934 15.887 9.055 479 HA VAL 59 HA VAL 59 6.596 14.786 7.838 480 HB VAL 59 HB VAL 59 8.733 15.408 6.564 481 HG11 VAL 59 1HG1 VAL 59 9.658 12.673 7.452 482 HG12 VAL 59 2HG1 VAL 59 10.416 14.193 7.945 483 HG13 VAL 59 3HG1 VAL 59 10.428 13.683 6.251 484 HG21 VAL 59 3HG2 VAL 59 8.492 13.384 5.080 485 HG22 VAL 59 1HG2 VAL 59 7.029 14.349 5.388 486 HG23 VAL 59 2HG2 VAL 59 7.299 12.842 6.253 487 H TRP 60 H TRP 60 5.709 12.815 8.113 488 HA TRP 60 HA TRP 60 7.453 10.932 9.421 489 HB2 TRP 60 2HB TRP 60 4.411 10.929 9.335 490 HB3 TRP 60 1HB TRP 60 5.400 9.612 9.970 491 HD1 TRP 60 HD1 TRP 60 4.856 13.347 10.643 492 HE1 TRP 60 HE1 TRP 60 5.080 13.773 13.185 493 HE3 TRP 60 HE3 TRP 60 6.123 8.650 12.096 494 HZ2 TRP 60 HZ2 TRP 60 5.734 12.278 15.496 495 HZ3 TRP 60 HZ3 TRP 60 6.550 8.221 14.481 496 HH2 TRP 60 HH2 TRP 60 6.357 9.992 16.141 497 H ASP 61 H ASP 61 8.482 10.249 7.954 498 HA ASP 61 HA ASP 61 7.815 8.393 6.070 499 HB2 ASP 61 2HB ASP 61 6.638 10.281 4.850 500 HB3 ASP 61 1HB ASP 61 8.130 11.200 4.882 501 H LEU 62 H LEU 62 9.738 8.493 4.469 502 HA LEU 62 HA LEU 62 12.154 9.654 5.556 503 HB2 LEU 62 2HB LEU 62 11.847 7.232 6.243 504 HB3 LEU 62 1HB LEU 62 11.939 6.868 4.520 505 HG LEU 62 HG LEU 62 14.042 6.384 5.877 506 HD11 LEU 62 1HD1 LEU 62 14.144 6.497 3.475 507 HD12 LEU 62 2HD1 LEU 62 15.591 7.209 4.195 508 HD13 LEU 62 3HD1 LEU 62 14.323 8.250 3.543 509 HD21 LEU 62 3HD2 LEU 62 14.002 8.368 7.281 510 HD22 LEU 62 1HD2 LEU 62 14.264 9.389 5.870 511 HD23 LEU 62 2HD2 LEU 62 15.515 8.258 6.381 512 H MET 63 H MET 63 13.430 10.287 3.802 513 HA MET 63 HA MET 63 11.833 10.300 1.411 514 HB2 MET 63 2HB MET 63 14.001 12.208 2.122 515 HB3 MET 63 1HB MET 63 13.258 11.961 0.529 516 HG2 MET 63 2HG MET 63 11.044 12.511 1.473 517 HG3 MET 63 1HG MET 63 11.804 12.856 3.024 518 HE1 MET 63 3HE MET 63 13.327 13.771 -0.520 519 HE2 MET 63 1HE MET 63 12.603 15.353 -0.793 520 HE3 MET 63 2HE MET 63 11.586 13.911 -0.769 521 H GLU 64 H GLU 64 12.611 10.098 -0.518 522 HA GLU 64 HA GLU 64 14.923 8.537 -0.955 523 HB2 GLU 64 2HB GLU 64 13.405 7.360 0.485 524 HB3 GLU 64 1HB GLU 64 12.124 7.582 -0.650 525 HG2 GLU 64 2HG GLU 64 13.553 6.242 -2.345 526 HG3 GLU 64 1HG GLU 64 14.523 5.753 -0.950 Start of MODEL 9 1 HA MET 1 HA MET 1 14.618 -5.336 -3.479 2 HB2 MET 1 2HB MET 1 14.714 -7.172 -5.147 3 HB3 MET 1 1HB MET 1 13.357 -7.963 -4.364 4 HG2 MET 1 2HG MET 1 11.932 -6.027 -4.933 5 HG3 MET 1 1HG MET 1 13.296 -5.296 -5.775 6 HE1 MET 1 2HE MET 1 14.658 -7.815 -7.230 7 HE2 MET 1 3HE MET 1 14.351 -6.269 -8.024 8 HE3 MET 1 1HE MET 1 13.821 -7.773 -8.779 9 H SER 2 H SER 2 12.156 -7.889 -2.851 10 HA SER 2 HA SER 2 10.411 -6.091 -1.623 11 HB2 SER 2 2HB SER 2 10.473 -9.094 -1.441 12 HB3 SER 2 1HB SER 2 9.065 -8.025 -1.501 13 HG SER 2 HG SER 2 9.117 -8.350 -3.567 14 H ALA 3 H ALA 3 9.817 -6.206 0.633 15 HA ALA 3 HA ALA 3 11.668 -7.528 2.505 16 HB1 ALA 3 1HB ALA 3 10.847 -4.617 2.673 17 HB2 ALA 3 2HB ALA 3 12.456 -5.179 2.221 18 HB3 ALA 3 3HB ALA 3 11.830 -5.505 3.837 19 H GLU 4 H GLU 4 10.799 -7.050 4.748 20 HA GLU 4 HA GLU 4 8.210 -8.260 4.601 21 HB2 GLU 4 2HB GLU 4 8.902 -8.804 7.116 22 HB3 GLU 4 1HB GLU 4 9.490 -9.679 5.697 23 HG2 GLU 4 2HG GLU 4 11.245 -9.205 7.428 24 HG3 GLU 4 1HG GLU 4 11.618 -8.704 5.789 25 H THR 5 H THR 5 9.842 -5.617 6.287 26 HA THR 5 HA THR 5 7.372 -4.673 7.408 27 HB THR 5 HB THR 5 9.594 -4.377 8.571 28 HG1 THR 5 HG1 THR 5 7.662 -2.911 8.707 29 HG21 THR 5 3HG2 THR 5 10.108 -2.331 6.398 30 HG22 THR 5 1HG2 THR 5 10.984 -3.847 6.614 31 HG23 THR 5 2HG2 THR 5 11.110 -2.574 7.829 32 H GLN 6 H GLN 6 8.099 -4.894 4.451 33 HA GLN 6 HA GLN 6 7.884 -2.287 3.323 34 HB2 GLN 6 2HB GLN 6 8.827 -4.333 2.163 35 HB3 GLN 6 1HB GLN 6 7.177 -4.902 1.987 36 HG2 GLN 6 2HG GLN 6 6.650 -2.866 0.688 37 HG3 GLN 6 1HG GLN 6 8.341 -2.389 0.805 38 HE21 GLN 6 2HE2 GLN 6 7.584 -4.213 -2.376 39 HE22 GLN 6 1HE2 GLN 6 6.782 -2.921 -1.550 40 H MET 7 H MET 7 5.695 -4.293 4.879 41 HA MET 7 HA MET 7 3.307 -3.584 3.474 42 HB2 MET 7 2HB MET 7 3.622 -4.462 6.362 43 HB3 MET 7 1HB MET 7 2.116 -4.427 5.461 44 HG2 MET 7 2HG MET 7 4.490 -6.181 4.865 45 HG3 MET 7 1HG MET 7 3.002 -6.687 5.660 46 HE1 MET 7 3HE MET 7 2.862 -8.694 3.904 47 HE2 MET 7 1HE MET 7 4.330 -8.115 3.114 48 HE3 MET 7 2HE MET 7 2.895 -8.471 2.154 49 H GLU 8 H GLU 8 4.879 -2.505 6.411 50 HA GLU 8 HA GLU 8 3.275 -0.298 6.999 51 HB2 GLU 8 2HB GLU 8 6.212 -0.771 7.524 52 HB3 GLU 8 1HB GLU 8 5.271 0.513 8.257 53 HG2 GLU 8 2HG GLU 8 5.632 -1.248 9.827 54 HG3 GLU 8 1HG GLU 8 3.930 -1.210 9.415 55 H ARG 9 H ARG 9 6.080 -0.742 5.025 56 HA ARG 9 HA ARG 9 6.505 2.028 4.412 57 HB2 ARG 9 2HB ARG 9 8.005 -0.215 4.129 58 HB3 ARG 9 1HB ARG 9 7.378 -0.086 2.502 59 HG2 ARG 9 2HG ARG 9 8.954 2.067 3.911 60 HG3 ARG 9 1HG ARG 9 9.652 0.859 2.857 61 HD2 ARG 9 2HD ARG 9 8.312 1.798 0.975 62 HD3 ARG 9 1HD ARG 9 7.709 3.050 2.074 63 HE ARG 9 HE ARG 9 10.490 3.040 2.266 64 HH11 ARG 9 1HH1 ARG 9 8.170 3.890 -0.408 65 HH12 ARG 9 2HH1 ARG 9 9.255 5.043 -0.992 66 HH21 ARG 9 2HH2 ARG 9 11.299 5.469 -0.072 67 HH22 ARG 9 1HH2 ARG 9 11.909 4.541 1.210 68 H LYS 10 H LYS 10 4.658 -0.535 2.807 69 HA LYS 10 HA LYS 10 4.239 1.050 0.481 70 HB2 LYS 10 2HB LYS 10 2.736 -0.647 -0.306 71 HB3 LYS 10 1HB LYS 10 4.073 -1.455 0.495 72 HG2 LYS 10 2HG LYS 10 2.643 -1.680 2.512 73 HG3 LYS 10 1HG LYS 10 1.308 -1.012 1.583 74 HD2 LYS 10 2HD LYS 10 1.527 -2.877 -0.018 75 HD3 LYS 10 1HD LYS 10 2.812 -3.558 0.986 76 HE2 LYS 10 2HE LYS 10 1.207 -3.622 2.889 77 HE3 LYS 10 1HE LYS 10 -0.060 -3.104 1.781 78 HZ1 LYS 10 3HZ LYS 10 1.508 -5.609 1.654 79 HZ2 LYS 10 1HZ LYS 10 0.388 -5.133 0.461 80 HZ3 LYS 10 2HZ LYS 10 -0.118 -5.460 2.048 81 H ILE 11 H ILE 11 2.488 0.827 3.576 82 HA ILE 11 HA ILE 11 0.233 2.134 2.442 83 HB ILE 11 HB ILE 11 -0.513 2.427 4.742 84 HG12 ILE 11 2HG1 ILE 11 2.162 1.209 5.410 85 HG13 ILE 11 1HG1 ILE 11 1.504 2.741 5.959 86 HG21 ILE 11 1HG2 ILE 11 -0.761 -0.011 5.212 87 HG22 ILE 11 2HG2 ILE 11 0.550 -0.280 4.052 88 HG23 ILE 11 3HG2 ILE 11 -0.995 0.374 3.489 89 HD11 ILE 11 3HD1 ILE 11 -0.187 1.476 7.248 90 HD12 ILE 11 1HD1 ILE 11 1.500 1.131 7.720 91 HD13 ILE 11 2HD1 ILE 11 0.637 0.011 6.665 92 H ILE 12 H ILE 12 3.110 3.135 4.224 93 HA ILE 12 HA ILE 12 2.147 5.818 4.247 94 HB ILE 12 HB ILE 12 4.069 6.482 5.317 95 HG12 ILE 12 2HG1 ILE 12 6.134 4.636 5.140 96 HG13 ILE 12 1HG1 ILE 12 5.442 4.643 3.532 97 HG21 ILE 12 1HG2 ILE 12 2.984 4.937 6.744 98 HG22 ILE 12 2HG2 ILE 12 4.729 4.846 6.986 99 HG23 ILE 12 3HG2 ILE 12 3.901 3.597 6.057 100 HD11 ILE 12 3HD1 ILE 12 6.375 7.145 4.927 101 HD12 ILE 12 1HD1 ILE 12 5.620 7.072 3.348 102 HD13 ILE 12 2HD1 ILE 12 7.191 6.328 3.594 103 H ASP 13 H ASP 13 3.889 3.783 2.079 104 HA ASP 13 HA ASP 13 5.253 5.591 0.454 105 HB2 ASP 13 2HB ASP 13 5.132 2.980 0.457 106 HB3 ASP 13 1HB ASP 13 3.816 3.216 -0.688 107 H PHE 14 H PHE 14 2.035 4.194 0.115 108 HA PHE 14 HA PHE 14 1.058 5.635 -2.006 109 HB2 PHE 14 2HB PHE 14 -0.168 3.785 -1.127 110 HB3 PHE 14 1HB PHE 14 -0.252 4.512 0.469 111 HD1 PHE 14 HD1 PHE 14 -1.842 6.120 0.987 112 HD2 PHE 14 HD2 PHE 14 -1.587 4.578 -2.930 113 HE1 PHE 14 HE1 PHE 14 -4.032 7.106 0.499 114 HE2 PHE 14 HE2 PHE 14 -3.795 5.555 -3.481 115 HZ PHE 14 HZ PHE 14 -5.027 6.828 -1.761 116 H LEU 15 H LEU 15 0.813 6.452 1.504 117 HA LEU 15 HA LEU 15 -0.367 8.902 1.094 118 HB2 LEU 15 2HB LEU 15 -0.752 8.241 3.023 119 HB3 LEU 15 1HB LEU 15 0.663 7.232 3.225 120 HG LEU 15 HG LEU 15 0.352 8.755 4.955 121 HD11 LEU 15 1HD1 LEU 15 2.539 9.957 5.064 122 HD12 LEU 15 2HD1 LEU 15 2.775 9.541 3.361 123 HD13 LEU 15 3HD1 LEU 15 2.644 8.267 4.571 124 HD21 LEU 15 3HD2 LEU 15 -0.876 10.554 4.048 125 HD22 LEU 15 1HD2 LEU 15 0.446 10.959 2.942 126 HD23 LEU 15 2HD2 LEU 15 0.625 11.245 4.675 127 H ARG 16 H ARG 16 2.928 7.949 1.189 128 HA ARG 16 HA ARG 16 4.148 10.406 1.345 129 HB2 ARG 16 2HB ARG 16 5.502 8.549 1.728 130 HB3 ARG 16 1HB ARG 16 4.949 7.724 0.283 131 HG2 ARG 16 2HG ARG 16 6.297 8.942 -1.082 132 HG3 ARG 16 1HG ARG 16 6.524 10.217 0.110 133 HD2 ARG 16 2HD ARG 16 7.807 8.547 1.512 134 HD3 ARG 16 1HD ARG 16 7.620 7.368 0.239 135 HE ARG 16 HE ARG 16 9.308 8.369 -0.947 136 HH11 ARG 16 1HH1 ARG 16 8.458 10.470 1.751 137 HH12 ARG 16 2HH1 ARG 16 9.637 11.646 1.456 138 HH21 ARG 16 2HH2 ARG 16 11.081 11.394 -0.498 139 HH22 ARG 16 1HH2 ARG 16 10.942 9.950 -1.412 140 H GLN 17 H GLN 17 3.013 8.583 -1.349 141 HA GLN 17 HA GLN 17 3.798 10.290 -3.459 142 HB2 GLN 17 2HB GLN 17 1.321 8.562 -3.389 143 HB3 GLN 17 1HB GLN 17 2.106 9.195 -4.821 144 HG2 GLN 17 2HG GLN 17 4.040 7.777 -4.390 145 HG3 GLN 17 1HG GLN 17 3.264 7.166 -2.926 146 HE21 GLN 17 2HE2 GLN 17 2.193 5.766 -6.539 147 HE22 GLN 17 1HE2 GLN 17 3.273 7.119 -6.378 148 H ASN 18 H ASN 18 0.930 10.286 -1.363 149 HA ASN 18 HA ASN 18 -0.282 12.426 -2.920 150 HB2 ASN 18 2HB ASN 18 -1.145 11.092 -0.340 151 HB3 ASN 18 1HB ASN 18 -2.056 12.377 -1.129 152 HD21 ASN 18 2HD2 ASN 18 -2.071 8.615 -2.608 153 HD22 ASN 18 1HD2 ASN 18 -0.966 9.061 -1.380 154 H GLY 19 H GLY 19 1.539 11.989 -0.115 155 HA2 GLY 19 2HA GLY 19 2.886 14.202 0.167 156 HA3 GLY 19 1HA GLY 19 1.299 14.804 0.618 157 H LYS 20 H LYS 20 3.901 12.523 1.535 158 HA LYS 20 HA LYS 20 3.363 11.560 3.880 159 HB2 LYS 20 2HB LYS 20 5.731 12.403 4.514 160 HB3 LYS 20 1HB LYS 20 5.494 11.237 3.225 161 HG2 LYS 20 2HG LYS 20 7.133 12.841 2.542 162 HG3 LYS 20 1HG LYS 20 5.677 13.080 1.576 163 HD2 LYS 20 2HD LYS 20 5.087 14.998 2.992 164 HD3 LYS 20 1HD LYS 20 6.542 14.770 3.945 165 HE2 LYS 20 2HE LYS 20 7.855 15.089 1.846 166 HE3 LYS 20 1HE LYS 20 6.343 15.521 1.045 167 HZ1 LYS 20 3HZ LYS 20 7.432 17.548 1.807 168 HZ2 LYS 20 1HZ LYS 20 7.639 16.885 3.320 169 HZ3 LYS 20 2HZ LYS 20 6.127 17.283 2.876 170 H SER 21 H SER 21 3.611 12.158 6.172 171 HA SER 21 HA SER 21 3.362 14.791 7.049 172 HB2 SER 21 2HB SER 21 1.375 14.839 5.517 173 HB3 SER 21 1HB SER 21 0.672 13.503 6.418 174 HG SER 21 HG SER 21 0.731 16.164 6.945 175 H ILE 22 H ILE 22 1.340 14.413 8.935 176 HA ILE 22 HA ILE 22 2.727 12.726 10.795 177 HB ILE 22 HB ILE 22 1.011 13.443 12.434 178 HG12 ILE 22 2HG1 ILE 22 -0.136 15.041 10.119 179 HG13 ILE 22 1HG1 ILE 22 -0.897 13.640 10.858 180 HG21 ILE 22 1HG2 ILE 22 3.019 14.776 12.144 181 HG22 ILE 22 2HG2 ILE 22 1.642 15.826 12.480 182 HG23 ILE 22 3HG2 ILE 22 2.257 15.679 10.834 183 HD11 ILE 22 3HD1 ILE 22 -1.110 14.878 12.959 184 HD12 ILE 22 1HD1 ILE 22 -1.909 15.710 11.625 185 HD13 ILE 22 2HD1 ILE 22 -0.343 16.276 12.208 186 H ALA 23 H ALA 23 1.461 11.241 12.193 187 HA ALA 23 HA ALA 23 0.592 9.002 10.799 188 HB1 ALA 23 1HB ALA 23 0.022 9.737 13.647 189 HB2 ALA 23 2HB ALA 23 1.507 8.983 13.060 190 HB3 ALA 23 3HB ALA 23 -0.026 8.109 12.966 191 H LEU 24 H LEU 24 -1.208 11.742 11.833 192 HA LEU 24 HA LEU 24 -3.763 10.450 11.950 193 HB2 LEU 24 2HB LEU 24 -3.141 12.488 13.280 194 HB3 LEU 24 1HB LEU 24 -3.063 13.401 11.799 195 HG LEU 24 HG LEU 24 -5.093 13.809 13.220 196 HD11 LEU 24 1HD1 LEU 24 -5.671 12.799 10.449 197 HD12 LEU 24 2HD1 LEU 24 -5.161 14.429 10.889 198 HD13 LEU 24 3HD1 LEU 24 -6.731 13.824 11.417 199 HD21 LEU 24 3HD2 LEU 24 -5.861 11.025 12.356 200 HD22 LEU 24 1HD2 LEU 24 -6.909 12.172 13.187 201 HD23 LEU 24 2HD2 LEU 24 -5.476 11.540 13.998 202 H THR 25 H THR 25 -1.819 12.146 9.575 203 HA THR 25 HA THR 25 -3.891 12.458 7.695 204 HB THR 25 HB THR 25 -0.924 12.371 7.269 205 HG1 THR 25 HG1 THR 25 -0.895 14.395 7.973 206 HG21 THR 25 3HG2 THR 25 -1.420 13.613 5.223 207 HG22 THR 25 1HG2 THR 25 -3.141 13.678 5.666 208 HG23 THR 25 2HG2 THR 25 -2.406 12.139 5.291 209 H ILE 26 H ILE 26 -1.192 10.206 8.043 210 HA ILE 26 HA ILE 26 -1.483 8.637 5.825 211 HB ILE 26 HB ILE 26 -0.951 7.370 8.544 212 HG12 ILE 26 2HG1 ILE 26 1.014 8.884 6.738 213 HG13 ILE 26 1HG1 ILE 26 0.464 9.409 8.314 214 HG21 ILE 26 1HG2 ILE 26 -1.270 5.858 6.739 215 HG22 ILE 26 2HG2 ILE 26 0.440 5.853 7.199 216 HG23 ILE 26 3HG2 ILE 26 -0.095 6.709 5.740 217 HD11 ILE 26 3HD1 ILE 26 2.118 6.962 7.754 218 HD12 ILE 26 1HD1 ILE 26 1.595 7.516 9.345 219 HD13 ILE 26 2HD1 ILE 26 2.708 8.497 8.390 220 H ALA 27 H ALA 27 -3.177 8.320 8.870 221 HA ALA 27 HA ALA 27 -4.704 6.071 8.370 222 HB1 ALA 27 1HB ALA 27 -6.093 6.825 10.187 223 HB2 ALA 27 2HB ALA 27 -5.446 8.463 10.021 224 HB3 ALA 27 3HB ALA 27 -4.388 7.146 10.530 225 H LYS 28 H LYS 28 -5.383 9.468 7.588 226 HA LYS 28 HA LYS 28 -8.083 8.998 6.774 227 HB2 LYS 28 2HB LYS 28 -6.257 11.253 5.986 228 HB3 LYS 28 1HB LYS 28 -7.994 11.224 5.762 229 HG2 LYS 28 2HG LYS 28 -8.212 11.156 8.244 230 HG3 LYS 28 1HG LYS 28 -6.467 11.384 8.343 231 HD2 LYS 28 2HD LYS 28 -8.395 13.294 6.987 232 HD3 LYS 28 1HD LYS 28 -7.763 13.503 8.610 233 HE2 LYS 28 2HE LYS 28 -6.496 14.946 7.214 234 HE3 LYS 28 1HE LYS 28 -5.442 13.593 7.558 235 HZ1 LYS 28 3HZ LYS 28 -6.968 13.953 4.996 236 HZ2 LYS 28 1HZ LYS 28 -5.855 12.745 5.268 237 HZ3 LYS 28 2HZ LYS 28 -5.334 14.278 5.193 238 H GLU 29 H GLU 29 -4.974 9.231 5.130 239 HA GLU 29 HA GLU 29 -6.049 9.340 2.514 240 HB2 GLU 29 2HB GLU 29 -3.284 8.320 3.115 241 HB3 GLU 29 1HB GLU 29 -3.838 9.203 1.707 242 HG2 GLU 29 2HG GLU 29 -3.222 10.249 4.456 243 HG3 GLU 29 1HG GLU 29 -2.498 10.673 2.917 244 H ILE 30 H ILE 30 -4.959 6.752 4.571 245 HA ILE 30 HA ILE 30 -5.442 4.840 2.428 246 HB ILE 30 HB ILE 30 -4.699 3.082 4.003 247 HG12 ILE 30 2HG1 ILE 30 -4.178 5.397 5.886 248 HG13 ILE 30 1HG1 ILE 30 -5.350 4.116 6.135 249 HG21 ILE 30 1HG2 ILE 30 -2.315 3.745 4.045 250 HG22 ILE 30 2HG2 ILE 30 -2.793 5.400 3.666 251 HG23 ILE 30 3HG2 ILE 30 -3.094 4.108 2.503 252 HD11 ILE 30 3HD1 ILE 30 -2.349 3.835 6.095 253 HD12 ILE 30 1HD1 ILE 30 -3.486 2.497 6.266 254 HD13 ILE 30 2HD1 ILE 30 -3.406 3.745 7.505 255 H GLY 31 H GLY 31 -7.217 6.350 4.737 256 HA2 GLY 31 2HA GLY 31 -9.393 6.143 5.386 257 HA3 GLY 31 1HA GLY 31 -9.552 4.840 4.218 258 H LEU 32 H LEU 32 -7.218 4.784 6.792 259 HA LEU 32 HA LEU 32 -8.773 2.573 7.971 260 HB2 LEU 32 2HB LEU 32 -5.756 2.730 7.995 261 HB3 LEU 32 1HB LEU 32 -6.746 1.408 8.552 262 HG LEU 32 HG LEU 32 -6.116 2.217 5.732 263 HD11 LEU 32 1HD1 LEU 32 -5.323 -0.056 5.519 264 HD12 LEU 32 2HD1 LEU 32 -5.777 -0.376 7.191 265 HD13 LEU 32 3HD1 LEU 32 -4.507 0.791 6.835 266 HD21 LEU 32 3HD2 LEU 32 -8.269 0.290 6.611 267 HD22 LEU 32 1HD2 LEU 32 -7.627 0.447 4.957 268 HD23 LEU 32 2HD2 LEU 32 -8.432 1.816 5.711 269 H ASP 33 H ASP 33 -7.794 2.058 10.204 270 HA ASP 33 HA ASP 33 -8.234 4.273 11.900 271 HB2 ASP 33 2HB ASP 33 -8.901 2.390 13.012 272 HB3 ASP 33 1HB ASP 33 -7.695 1.381 12.229 273 H LYS 34 H LYS 34 -6.868 5.301 13.284 274 HA LYS 34 HA LYS 34 -4.319 6.004 12.201 275 HB2 LYS 34 2HB LYS 34 -4.116 7.542 14.040 276 HB3 LYS 34 1HB LYS 34 -5.774 7.610 13.450 277 HG2 LYS 34 2HG LYS 34 -6.639 6.654 15.332 278 HG3 LYS 34 1HG LYS 34 -5.185 5.713 15.647 279 HD2 LYS 34 2HD LYS 34 -4.089 7.958 16.208 280 HD3 LYS 34 1HD LYS 34 -5.738 8.590 16.278 281 HE2 LYS 34 2HE LYS 34 -4.934 7.882 18.493 282 HE3 LYS 34 1HE LYS 34 -6.327 6.940 17.962 283 HZ1 LYS 34 3HZ LYS 34 -4.943 5.097 17.434 284 HZ2 LYS 34 1HZ LYS 34 -4.496 5.589 18.965 285 HZ3 LYS 34 2HZ LYS 34 -3.513 5.952 17.630 286 H SER 35 H SER 35 -5.354 3.643 14.528 287 HA SER 35 HA SER 35 -2.931 3.727 16.095 288 HB2 SER 35 2HB SER 35 -5.152 1.681 16.186 289 HB3 SER 35 1HB SER 35 -4.061 2.163 17.494 290 HG SER 35 HG SER 35 -6.288 3.382 16.433 291 H THR 36 H THR 36 -4.490 1.893 13.590 292 HA THR 36 HA THR 36 -2.767 -0.114 13.192 293 HB THR 36 HB THR 36 -4.575 1.634 11.581 294 HG1 THR 36 HG1 THR 36 -5.641 0.364 12.998 295 HG21 THR 36 3HG2 THR 36 -3.179 -0.846 10.697 296 HG22 THR 36 1HG2 THR 36 -2.938 0.830 10.152 297 HG23 THR 36 2HG2 THR 36 -4.500 0.020 9.829 298 H VAL 37 H VAL 37 -2.779 3.272 11.849 299 HA VAL 37 HA VAL 37 -0.406 3.103 10.455 300 HB VAL 37 HB VAL 37 -1.686 5.429 11.862 301 HG11 VAL 37 1HG1 VAL 37 0.248 5.456 9.550 302 HG12 VAL 37 2HG1 VAL 37 0.656 5.776 11.227 303 HG13 VAL 37 3HG1 VAL 37 -0.440 6.864 10.382 304 HG21 VAL 37 3HG2 VAL 37 -2.673 5.945 9.667 305 HG22 VAL 37 1HG2 VAL 37 -3.213 4.390 10.303 306 HG23 VAL 37 2HG2 VAL 37 -1.988 4.451 9.034 307 H ASN 38 H ASN 38 -1.107 4.111 13.776 308 HA ASN 38 HA ASN 38 1.387 4.923 14.639 309 HB2 ASN 38 2HB ASN 38 -0.750 3.469 16.230 310 HB3 ASN 38 1HB ASN 38 0.662 4.235 16.929 311 HD21 ASN 38 2HD2 ASN 38 -0.786 7.465 15.571 312 HD22 ASN 38 1HD2 ASN 38 0.489 6.418 15.030 313 H ARG 39 H ARG 39 0.045 1.742 14.780 314 HA ARG 39 HA ARG 39 2.352 0.613 16.076 315 HB2 ARG 39 2HB ARG 39 1.392 -1.577 15.760 316 HB3 ARG 39 1HB ARG 39 0.078 -0.454 16.121 317 HG2 ARG 39 2HG ARG 39 -0.419 -0.348 13.713 318 HG3 ARG 39 1HG ARG 39 0.828 -1.551 13.439 319 HD2 ARG 39 2HD ARG 39 -0.399 -3.134 14.850 320 HD3 ARG 39 1HD ARG 39 -1.667 -1.925 15.085 321 HE ARG 39 HE ARG 39 -0.912 -2.962 12.439 322 HH11 ARG 39 1HH1 ARG 39 -3.447 -2.079 14.768 323 HH12 ARG 39 2HH1 ARG 39 -4.721 -2.310 13.670 324 HH21 ARG 39 2HH2 ARG 39 -4.271 -3.088 11.463 325 HH22 ARG 39 1HH2 ARG 39 -2.655 -3.333 10.969 326 H HIS 40 H HIS 40 1.425 0.954 12.771 327 HA HIS 40 HA HIS 40 3.524 -0.715 11.782 328 HB2 HIS 40 2HB HIS 40 1.506 1.053 10.460 329 HB3 HIS 40 1HB HIS 40 2.819 0.392 9.512 330 HD1 HIS 40 HD1 HIS 40 2.637 -2.413 9.089 331 HD2 HIS 40 HD2 HIS 40 -0.518 -0.671 11.211 332 HE1 HIS 40 HE1 HIS 40 0.863 -4.106 9.203 333 H LEU 41 H LEU 41 3.124 2.725 12.306 334 HA LEU 41 HA LEU 41 5.516 3.360 10.925 335 HB2 LEU 41 2HB LEU 41 5.349 5.574 11.908 336 HB3 LEU 41 1HB LEU 41 3.842 5.104 11.152 337 HG LEU 41 HG LEU 41 3.146 4.526 13.597 338 HD11 LEU 41 1HD1 LEU 41 5.260 4.784 14.682 339 HD12 LEU 41 2HD1 LEU 41 4.132 6.001 15.286 340 HD13 LEU 41 3HD1 LEU 41 5.390 6.452 14.126 341 HD21 LEU 41 3HD2 LEU 41 2.339 6.796 13.889 342 HD22 LEU 41 1HD2 LEU 41 2.160 6.143 12.262 343 HD23 LEU 41 2HD2 LEU 41 3.438 7.326 12.596 344 H TYR 42 H TYR 42 4.697 2.401 14.209 345 HA TYR 42 HA TYR 42 6.998 3.129 15.390 346 HB2 TYR 42 2HB TYR 42 4.771 1.373 15.715 347 HB3 TYR 42 1HB TYR 42 6.164 0.846 16.577 348 HD1 TYR 42 HD1 TYR 42 3.274 2.238 17.140 349 HD2 TYR 42 HD2 TYR 42 7.298 3.394 17.442 350 HE1 TYR 42 HE1 TYR 42 2.627 3.937 18.841 351 HE2 TYR 42 HE2 TYR 42 6.717 5.108 19.141 352 HH TYR 42 HH TYR 42 4.752 6.393 19.818 353 H ASN 43 H ASN 43 6.104 0.359 13.546 354 HA ASN 43 HA ASN 43 8.433 -1.199 14.019 355 HB2 ASN 43 2HB ASN 43 6.729 -1.145 11.528 356 HB3 ASN 43 1HB ASN 43 7.904 -2.398 11.920 357 HD21 ASN 43 2HD2 ASN 43 4.398 -3.258 12.933 358 HD22 ASN 43 1HD2 ASN 43 5.073 -2.587 11.487 359 H LEU 44 H LEU 44 7.659 1.071 11.473 360 HA LEU 44 HA LEU 44 10.167 0.956 10.150 361 HB2 LEU 44 2HB LEU 44 8.277 3.306 10.193 362 HB3 LEU 44 1HB LEU 44 9.499 2.962 9.042 363 HG LEU 44 HG LEU 44 7.093 1.203 9.387 364 HD11 LEU 44 1HD1 LEU 44 6.328 2.212 7.278 365 HD12 LEU 44 2HD1 LEU 44 7.701 3.315 7.315 366 HD13 LEU 44 3HD1 LEU 44 6.459 3.414 8.563 367 HD21 LEU 44 3HD2 LEU 44 7.862 0.304 7.184 368 HD22 LEU 44 1HD2 LEU 44 9.001 -0.000 8.500 369 HD23 LEU 44 2HD2 LEU 44 9.311 1.288 7.341 370 H GLN 45 H GLN 45 8.972 2.744 12.870 371 HA GLN 45 HA GLN 45 10.700 4.929 12.882 372 HB2 GLN 45 2HB GLN 45 8.583 4.310 14.356 373 HB3 GLN 45 1HB GLN 45 9.798 3.690 15.447 374 HG2 GLN 45 2HG GLN 45 9.789 5.794 16.296 375 HG3 GLN 45 1HG GLN 45 10.831 6.109 14.900 376 HE21 GLN 45 2HE2 GLN 45 8.565 8.073 13.227 377 HE22 GLN 45 1HE2 GLN 45 10.055 7.185 13.155 378 H ARG 46 H ARG 46 10.890 1.795 14.631 379 HA ARG 46 HA ARG 46 13.332 2.172 15.895 380 HB2 ARG 46 2HB ARG 46 11.827 -0.239 15.002 381 HB3 ARG 46 1HB ARG 46 13.473 -0.423 15.575 382 HG2 ARG 46 2HG ARG 46 12.118 -0.860 17.353 383 HG3 ARG 46 1HG ARG 46 12.753 0.784 17.628 384 HD2 ARG 46 2HD ARG 46 10.452 0.722 18.311 385 HD3 ARG 46 1HD ARG 46 10.539 1.610 16.794 386 HE ARG 46 HE ARG 46 9.584 -0.171 15.674 387 HH11 ARG 46 1HH1 ARG 46 9.680 -0.785 19.166 388 HH12 ARG 46 2HH1 ARG 46 8.415 -1.921 19.171 389 HH21 ARG 46 2HH2 ARG 46 7.299 -2.488 17.111 390 HH22 ARG 46 1HH2 ARG 46 7.762 -1.781 15.671 391 H SER 47 H SER 47 12.585 1.041 12.734 392 HA SER 47 HA SER 47 15.280 0.367 12.067 393 HB2 SER 47 2HB SER 47 12.884 0.645 10.261 394 HB3 SER 47 1HB SER 47 14.366 -0.258 9.934 395 HG SER 47 HG SER 47 12.708 -1.656 10.688 396 H ASN 48 H ASN 48 13.768 3.419 12.358 397 HA ASN 48 HA ASN 48 14.200 5.461 11.706 398 HB2 ASN 48 2HB ASN 48 16.587 4.653 12.183 399 HB3 ASN 48 1HB ASN 48 16.769 4.425 10.453 400 HD21 ASN 48 2HD2 ASN 48 16.953 8.122 12.079 401 HD22 ASN 48 1HD2 ASN 48 16.456 6.744 13.015 402 H GLN 49 H GLN 49 12.826 3.531 10.058 403 HA GLN 49 HA GLN 49 13.432 4.359 7.321 404 HB2 GLN 49 2HB GLN 49 12.798 1.924 8.068 405 HB3 GLN 49 1HB GLN 49 11.161 2.520 8.172 406 HG2 GLN 49 2HG GLN 49 12.848 2.521 5.662 407 HG3 GLN 49 1HG GLN 49 11.673 1.289 6.077 408 HE21 GLN 49 2HE2 GLN 49 9.118 4.046 5.641 409 HE22 GLN 49 1HE2 GLN 49 9.675 3.199 7.047 410 H VAL 50 H VAL 50 11.243 4.654 9.960 411 HA VAL 50 HA VAL 50 10.314 7.039 8.662 412 HB VAL 50 HB VAL 50 8.457 5.158 8.905 413 HG11 VAL 50 1HG1 VAL 50 8.385 6.316 11.662 414 HG12 VAL 50 2HG1 VAL 50 9.046 4.757 11.250 415 HG13 VAL 50 3HG1 VAL 50 7.313 5.070 10.994 416 HG21 VAL 50 3HG2 VAL 50 7.974 7.398 8.167 417 HG22 VAL 50 1HG2 VAL 50 7.985 7.978 9.833 418 HG23 VAL 50 2HG2 VAL 50 6.735 6.854 9.300 419 H PHE 51 H PHE 51 10.319 8.525 9.876 420 HA PHE 51 HA PHE 51 10.843 8.786 12.640 421 HB2 PHE 51 2HB PHE 51 13.034 8.218 11.025 422 HB3 PHE 51 1HB PHE 51 13.140 9.993 11.256 423 HD1 PHE 51 HD1 PHE 51 12.086 7.163 12.975 424 HD2 PHE 51 HD2 PHE 51 14.582 10.458 13.019 425 HE1 PHE 51 HE1 PHE 51 12.952 6.427 15.300 426 HE2 PHE 51 HE2 PHE 51 15.479 9.871 15.255 427 HZ PHE 51 HZ PHE 51 14.656 7.839 16.398 428 H ASN 52 H ASN 52 11.859 11.387 12.555 429 HA ASN 52 HA ASN 52 9.933 12.684 10.784 430 HB2 ASN 52 2HB ASN 52 11.296 13.848 13.200 431 HB3 ASN 52 1HB ASN 52 10.260 14.726 12.122 432 HD21 ASN 52 2HD2 ASN 52 7.424 12.516 13.164 433 HD22 ASN 52 1HD2 ASN 52 8.350 12.603 11.710 434 H SER 53 H SER 53 10.631 14.356 9.505 435 HA SER 53 HA SER 53 13.495 14.470 9.337 436 HB2 SER 53 2HB SER 53 12.805 12.637 7.863 437 HB3 SER 53 1HB SER 53 11.763 13.742 6.975 438 HG SER 53 HG SER 53 14.390 13.291 6.730 439 H ASN 54 H ASN 54 14.060 16.256 9.341 440 HA ASN 54 HA ASN 54 14.729 18.392 8.915 441 HB2 ASN 54 2HB ASN 54 15.762 18.333 6.902 442 HB3 ASN 54 1HB ASN 54 15.220 16.662 7.174 443 HD21 ASN 54 2HD2 ASN 54 13.012 16.568 4.469 444 HD22 ASN 54 1HD2 ASN 54 13.559 15.764 5.898 445 H GLU 55 H GLU 55 11.496 18.011 7.585 446 HA GLU 55 HA GLU 55 11.722 20.632 6.487 447 HB2 GLU 55 2HB GLU 55 9.331 20.229 5.669 448 HB3 GLU 55 1HB GLU 55 10.622 19.283 4.961 449 HG2 GLU 55 2HG GLU 55 10.022 17.425 6.430 450 HG3 GLU 55 1HG GLU 55 8.643 18.365 7.034 451 H LYS 56 H LYS 56 9.348 21.817 6.755 452 HA LYS 56 HA LYS 56 9.848 22.666 9.414 453 HB2 LYS 56 2HB LYS 56 8.033 23.936 7.374 454 HB3 LYS 56 1HB LYS 56 8.318 24.591 8.982 455 HG2 LYS 56 2HG LYS 56 10.566 24.061 7.041 456 HG3 LYS 56 1HG LYS 56 9.679 25.574 7.053 457 HD2 LYS 56 2HD LYS 56 11.788 25.815 8.277 458 HD3 LYS 56 1HD LYS 56 10.436 25.997 9.372 459 HE2 LYS 56 2HE LYS 56 12.372 24.748 10.294 460 HE3 LYS 56 1HE LYS 56 10.898 23.823 10.387 461 HZ1 LYS 56 3HZ LYS 56 12.755 22.450 9.658 462 HZ2 LYS 56 1HZ LYS 56 13.102 23.469 8.363 463 HZ3 LYS 56 2HZ LYS 56 11.675 22.556 8.414 464 HA PRO 57 HA PRO 57 5.893 20.730 10.587 465 HB2 PRO 57 2HB PRO 57 4.720 19.101 8.564 466 HB3 PRO 57 1HB PRO 57 4.034 20.608 9.194 467 HG2 PRO 57 2HG PRO 57 4.976 20.196 6.603 468 HG3 PRO 57 1HG PRO 57 4.573 21.753 7.347 469 HD2 PRO 57 2HD PRO 57 7.219 20.520 6.893 470 HD3 PRO 57 1HD PRO 57 6.766 22.231 7.020 471 HA PRO 58 HA PRO 58 9.084 17.477 10.847 472 HB2 PRO 58 2HB PRO 58 7.205 16.524 12.967 473 HB3 PRO 58 1HB PRO 58 8.962 16.773 13.063 474 HG2 PRO 58 2HG PRO 58 7.339 18.495 14.209 475 HG3 PRO 58 1HG PRO 58 8.790 19.046 13.346 476 HD2 PRO 58 2HD PRO 58 5.940 19.191 12.493 477 HD3 PRO 58 1HD PRO 58 7.277 20.324 12.202 478 H VAL 59 H VAL 59 8.879 16.156 9.099 479 HA VAL 59 HA VAL 59 6.321 14.964 8.527 480 HB VAL 59 HB VAL 59 7.875 15.800 6.746 481 HG11 VAL 59 1HG1 VAL 59 9.421 13.312 7.353 482 HG12 VAL 59 2HG1 VAL 59 9.971 14.977 7.549 483 HG13 VAL 59 3HG1 VAL 59 9.635 14.341 5.937 484 HG21 VAL 59 3HG2 VAL 59 6.058 14.455 6.063 485 HG22 VAL 59 1HG2 VAL 59 6.863 12.992 6.653 486 HG23 VAL 59 2HG2 VAL 59 7.515 13.821 5.264 487 H TRP 60 H TRP 60 5.583 13.062 8.791 488 HA TRP 60 HA TRP 60 7.429 11.167 9.903 489 HB2 TRP 60 2HB TRP 60 4.390 11.016 9.706 490 HB3 TRP 60 1HB TRP 60 5.434 9.776 10.397 491 HD1 TRP 60 HD1 TRP 60 4.867 13.554 11.045 492 HE1 TRP 60 HE1 TRP 60 4.812 13.940 13.591 493 HE3 TRP 60 HE3 TRP 60 5.644 8.756 12.597 494 HZ2 TRP 60 HZ2 TRP 60 5.048 12.406 15.942 495 HZ3 TRP 60 HZ3 TRP 60 5.712 8.304 15.018 496 HH2 TRP 60 HH2 TRP 60 5.422 10.086 16.647 497 H ASP 61 H ASP 61 8.481 10.501 8.323 498 HA ASP 61 HA ASP 61 7.777 8.613 6.491 499 HB2 ASP 61 2HB ASP 61 6.619 10.639 5.368 500 HB3 ASP 61 1HB ASP 61 8.208 11.368 5.227 501 H LEU 62 H LEU 62 9.753 9.129 4.743 502 HA LEU 62 HA LEU 62 12.124 10.004 6.192 503 HB2 LEU 62 2HB LEU 62 11.725 7.579 6.130 504 HB3 LEU 62 1HB LEU 62 11.819 7.596 4.381 505 HG LEU 62 HG LEU 62 14.249 8.389 4.632 506 HD11 LEU 62 1HD1 LEU 62 15.328 8.075 6.772 507 HD12 LEU 62 2HD1 LEU 62 13.768 7.725 7.517 508 HD13 LEU 62 3HD1 LEU 62 14.088 9.325 6.847 509 HD21 LEU 62 3HD2 LEU 62 13.512 5.742 5.860 510 HD22 LEU 62 1HD2 LEU 62 15.111 6.179 5.250 511 HD23 LEU 62 2HD2 LEU 62 13.741 6.068 4.144 512 H MET 63 H MET 63 13.741 9.607 3.775 513 HA MET 63 HA MET 63 12.261 11.194 1.819 514 HB2 MET 63 2HB MET 63 14.019 12.494 3.237 515 HB3 MET 63 1HB MET 63 15.100 11.417 2.309 516 HG2 MET 63 2HG MET 63 14.821 13.733 1.297 517 HG3 MET 63 1HG MET 63 14.517 12.357 0.239 518 HE1 MET 63 3HE MET 63 11.134 14.883 2.166 519 HE2 MET 63 1HE MET 63 12.849 15.209 2.416 520 HE3 MET 63 2HE MET 63 12.121 13.747 3.082 521 H GLU 64 H GLU 64 11.955 9.350 0.614 522 HA GLU 64 HA GLU 64 14.136 8.439 -0.918 523 HB2 GLU 64 2HB GLU 64 14.442 7.429 1.248 524 HB3 GLU 64 1HB GLU 64 12.851 6.715 1.210 525 HG2 GLU 64 2HG GLU 64 13.558 5.381 -0.812 526 HG3 GLU 64 1HG GLU 64 15.197 5.992 -0.567 Start of MODEL 10 1 HA MET 1 HA MET 1 6.410 -12.364 1.710 2 HB2 MET 1 2HB MET 1 5.532 -11.324 -0.422 3 HB3 MET 1 1HB MET 1 7.189 -10.950 -0.858 4 HG2 MET 1 2HG MET 1 7.715 -13.341 -0.921 5 HG3 MET 1 1HG MET 1 6.058 -13.720 -0.464 6 HE1 MET 1 2HE MET 1 7.386 -10.947 -3.002 7 HE2 MET 1 3HE MET 1 7.293 -11.850 -4.512 8 HE3 MET 1 1HE MET 1 8.436 -12.340 -3.264 9 H SER 2 H SER 2 8.621 -10.294 2.643 10 HA SER 2 HA SER 2 10.789 -11.800 3.028 11 HB2 SER 2 2HB SER 2 11.079 -11.923 0.504 12 HB3 SER 2 1HB SER 2 11.183 -10.166 0.470 13 HG SER 2 HG SER 2 13.142 -10.245 1.322 14 H ALA 3 H ALA 3 10.741 -10.597 4.848 15 HA ALA 3 HA ALA 3 10.863 -8.871 6.309 16 HB1 ALA 3 1HB ALA 3 12.259 -6.907 5.778 17 HB2 ALA 3 2HB ALA 3 12.253 -7.344 4.071 18 HB3 ALA 3 3HB ALA 3 13.078 -8.374 5.239 19 H GLU 4 H GLU 4 8.915 -8.455 6.721 20 HA GLU 4 HA GLU 4 7.144 -7.560 4.737 21 HB2 GLU 4 2HB GLU 4 6.767 -8.064 7.626 22 HB3 GLU 4 1HB GLU 4 5.419 -7.733 6.514 23 HG2 GLU 4 2HG GLU 4 7.254 -10.113 6.673 24 HG3 GLU 4 1HG GLU 4 5.491 -10.081 6.669 25 H THR 5 H THR 5 9.231 -5.698 6.063 26 HA THR 5 HA THR 5 7.954 -3.335 6.867 27 HB THR 5 HB THR 5 10.487 -3.665 5.233 28 HG1 THR 5 HG1 THR 5 10.097 -3.926 8.042 29 HG21 THR 5 3HG2 THR 5 11.263 -1.715 6.522 30 HG22 THR 5 1HG2 THR 5 9.724 -1.664 7.381 31 HG23 THR 5 2HG2 THR 5 9.779 -1.328 5.651 32 H GLN 6 H GLN 6 8.154 -5.027 3.938 33 HA GLN 6 HA GLN 6 7.824 -3.166 1.893 34 HB2 GLN 6 2HB GLN 6 6.625 -5.938 2.145 35 HB3 GLN 6 1HB GLN 6 6.749 -5.019 0.654 36 HG2 GLN 6 2HG GLN 6 9.172 -5.112 0.770 37 HG3 GLN 6 1HG GLN 6 9.083 -5.956 2.313 38 HE21 GLN 6 2HE2 GLN 6 9.611 -8.262 -0.629 39 HE22 GLN 6 1HE2 GLN 6 10.306 -6.753 -0.165 40 H MET 7 H MET 7 5.616 -4.332 4.345 41 HA MET 7 HA MET 7 3.185 -3.628 3.056 42 HB2 MET 7 2HB MET 7 3.788 -4.032 5.986 43 HB3 MET 7 1HB MET 7 2.177 -3.815 5.322 44 HG2 MET 7 2HG MET 7 4.050 -6.079 4.683 45 HG3 MET 7 1HG MET 7 2.681 -6.155 5.792 46 HE1 MET 7 3HE MET 7 3.148 -8.196 3.408 47 HE2 MET 7 1HE MET 7 1.510 -8.345 2.772 48 HE3 MET 7 2HE MET 7 1.779 -8.281 4.514 49 H GLU 8 H GLU 8 5.014 -2.122 5.578 50 HA GLU 8 HA GLU 8 3.458 0.181 5.887 51 HB2 GLU 8 2HB GLU 8 6.375 -0.331 6.414 52 HB3 GLU 8 1HB GLU 8 5.564 1.151 6.865 53 HG2 GLU 8 2HG GLU 8 5.844 -0.339 8.768 54 HG3 GLU 8 1HG GLU 8 4.151 -0.065 8.403 55 H ARG 9 H ARG 9 6.124 -0.595 3.853 56 HA ARG 9 HA ARG 9 6.687 2.138 3.113 57 HB2 ARG 9 2HB ARG 9 8.060 -0.262 2.917 58 HB3 ARG 9 1HB ARG 9 7.523 -0.050 1.271 59 HG2 ARG 9 2HG ARG 9 9.315 1.812 2.835 60 HG3 ARG 9 1HG ARG 9 9.810 0.704 1.570 61 HD2 ARG 9 2HD ARG 9 8.061 3.138 1.274 62 HD3 ARG 9 1HD ARG 9 9.726 2.967 0.733 63 HE ARG 9 HE ARG 9 8.119 0.993 -0.444 64 HH11 ARG 9 1HH1 ARG 9 9.270 4.295 -0.820 65 HH12 ARG 9 2HH1 ARG 9 8.309 4.626 -2.198 66 HH21 ARG 9 2HH2 ARG 9 6.930 3.035 -3.111 67 HH22 ARG 9 1HH2 ARG 9 6.868 1.433 -2.517 68 H LYS 10 H LYS 10 4.743 -0.391 1.699 69 HA LYS 10 HA LYS 10 4.335 1.230 -0.639 70 HB2 LYS 10 2HB LYS 10 2.571 -0.436 -1.292 71 HB3 LYS 10 1HB LYS 10 4.177 -1.104 -1.060 72 HG2 LYS 10 2HG LYS 10 3.500 -1.898 1.159 73 HG3 LYS 10 1HG LYS 10 1.884 -1.259 0.875 74 HD2 LYS 10 2HD LYS 10 1.474 -2.803 -0.864 75 HD3 LYS 10 1HD LYS 10 3.178 -3.250 -0.969 76 HE2 LYS 10 2HE LYS 10 1.851 -4.978 0.173 77 HE3 LYS 10 1HE LYS 10 3.078 -4.268 1.219 78 HZ1 LYS 10 3HZ LYS 10 0.174 -3.623 1.253 79 HZ2 LYS 10 1HZ LYS 10 1.366 -2.890 2.227 80 HZ3 LYS 10 2HZ LYS 10 1.046 -4.539 2.388 81 H ILE 11 H ILE 11 2.601 0.831 2.442 82 HA ILE 11 HA ILE 11 0.338 2.166 1.366 83 HB ILE 11 HB ILE 11 -0.427 2.284 3.645 84 HG12 ILE 11 2HG1 ILE 11 2.244 1.055 4.284 85 HG13 ILE 11 1HG1 ILE 11 1.562 2.547 4.910 86 HG21 ILE 11 1HG2 ILE 11 -0.642 -0.198 3.942 87 HG22 ILE 11 2HG2 ILE 11 0.702 -0.353 2.796 88 HG23 ILE 11 3HG2 ILE 11 -0.847 0.301 2.245 89 HD11 ILE 11 3HD1 ILE 11 0.674 -0.219 5.430 90 HD12 ILE 11 1HD1 ILE 11 -0.131 1.214 6.096 91 HD13 ILE 11 2HD1 ILE 11 1.543 0.832 6.562 92 H ILE 12 H ILE 12 3.204 3.080 3.207 93 HA ILE 12 HA ILE 12 2.099 5.664 3.566 94 HB ILE 12 HB ILE 12 4.050 6.362 4.594 95 HG12 ILE 12 2HG1 ILE 12 6.108 4.597 4.411 96 HG13 ILE 12 1HG1 ILE 12 5.417 4.521 2.812 97 HG21 ILE 12 1HG2 ILE 12 2.956 4.818 5.979 98 HG22 ILE 12 2HG2 ILE 12 4.699 4.682 6.213 99 HG23 ILE 12 3HG2 ILE 12 3.841 3.474 5.257 100 HD11 ILE 12 3HD1 ILE 12 5.494 7.041 2.631 101 HD12 ILE 12 1HD1 ILE 12 7.094 6.299 2.750 102 HD13 ILE 12 2HD1 ILE 12 6.353 7.083 4.142 103 H ASP 13 H ASP 13 4.080 4.134 1.096 104 HA ASP 13 HA ASP 13 5.052 6.479 -0.118 105 HB2 ASP 13 2HB ASP 13 5.781 4.100 -0.619 106 HB3 ASP 13 1HB ASP 13 4.320 3.939 -1.578 107 H PHE 14 H PHE 14 2.074 4.660 -0.531 108 HA PHE 14 HA PHE 14 1.021 6.230 -2.534 109 HB2 PHE 14 2HB PHE 14 -0.108 4.193 -2.132 110 HB3 PHE 14 1HB PHE 14 -0.209 4.496 -0.406 111 HD1 PHE 14 HD1 PHE 14 -1.628 5.403 -3.685 112 HD2 PHE 14 HD2 PHE 14 -2.008 5.619 0.525 113 HE1 PHE 14 HE1 PHE 14 -3.940 6.242 -3.949 114 HE2 PHE 14 HE2 PHE 14 -4.321 6.463 0.302 115 HZ PHE 14 HZ PHE 14 -5.289 6.772 -1.952 116 H LEU 15 H LEU 15 0.604 6.578 1.009 117 HA LEU 15 HA LEU 15 -0.899 8.904 0.772 118 HB2 LEU 15 2HB LEU 15 -1.293 8.290 2.777 119 HB3 LEU 15 1HB LEU 15 -0.006 7.115 2.786 120 HG LEU 15 HG LEU 15 0.039 8.384 4.718 121 HD11 LEU 15 1HD1 LEU 15 2.270 9.426 4.818 122 HD12 LEU 15 2HD1 LEU 15 2.364 9.249 3.064 123 HD13 LEU 15 3HD1 LEU 15 2.218 7.822 4.086 124 HD21 LEU 15 3HD2 LEU 15 -1.159 10.376 4.203 125 HD22 LEU 15 1HD2 LEU 15 0.113 10.894 3.090 126 HD23 LEU 15 2HD2 LEU 15 0.422 10.857 4.827 127 H ARG 16 H ARG 16 2.401 8.286 0.614 128 HA ARG 16 HA ARG 16 3.189 10.947 1.190 129 HB2 ARG 16 2HB ARG 16 5.167 9.916 1.562 130 HB3 ARG 16 1HB ARG 16 4.270 8.478 1.072 131 HG2 ARG 16 2HG ARG 16 5.124 8.518 -1.086 132 HG3 ARG 16 1HG ARG 16 5.848 10.121 -0.847 133 HD2 ARG 16 2HD ARG 16 7.345 9.321 0.775 134 HD3 ARG 16 1HD ARG 16 6.482 7.792 0.903 135 HE ARG 16 HE ARG 16 7.221 7.679 -1.576 136 HH11 ARG 16 1HH1 ARG 16 9.131 8.656 1.326 137 HH12 ARG 16 2HH1 ARG 16 10.573 7.996 0.694 138 HH21 ARG 16 2HH2 ARG 16 10.638 6.902 -1.359 139 HH22 ARG 16 1HH2 ARG 16 9.240 6.865 -2.364 140 H GLN 17 H GLN 17 2.305 9.189 -1.626 141 HA GLN 17 HA GLN 17 3.143 11.194 -3.482 142 HB2 GLN 17 2HB GLN 17 0.949 9.119 -3.748 143 HB3 GLN 17 1HB GLN 17 1.569 10.110 -5.055 144 HG2 GLN 17 2HG GLN 17 3.750 9.017 -4.839 145 HG3 GLN 17 1HG GLN 17 3.114 8.028 -3.524 146 HE21 GLN 17 2HE2 GLN 17 1.213 7.278 -7.012 147 HE22 GLN 17 1HE2 GLN 17 1.254 8.888 -6.366 148 H ASN 18 H ASN 18 0.436 10.669 -1.377 149 HA ASN 18 HA ASN 18 -1.182 12.795 -2.488 150 HB2 ASN 18 2HB ASN 18 -1.351 11.510 0.266 151 HB3 ASN 18 1HB ASN 18 -2.612 12.437 -0.534 152 HD21 ASN 18 2HD2 ASN 18 -2.743 9.515 -2.932 153 HD22 ASN 18 1HD2 ASN 18 -2.103 11.121 -3.129 154 H GLY 19 H GLY 19 0.947 12.228 0.147 155 HA2 GLY 19 2HA GLY 19 2.503 14.316 0.347 156 HA3 GLY 19 1HA GLY 19 1.007 15.016 0.956 157 H LYS 20 H LYS 20 3.584 12.632 1.608 158 HA LYS 20 HA LYS 20 2.835 11.507 3.912 159 HB2 LYS 20 2HB LYS 20 5.367 11.954 4.577 160 HB3 LYS 20 1HB LYS 20 4.903 10.770 3.381 161 HG2 LYS 20 2HG LYS 20 6.855 12.092 2.688 162 HG3 LYS 20 1HG LYS 20 5.507 12.301 1.587 163 HD2 LYS 20 2HD LYS 20 5.089 14.490 2.364 164 HD3 LYS 20 1HD LYS 20 6.091 14.278 3.795 165 HE2 LYS 20 2HE LYS 20 7.119 14.241 0.956 166 HE3 LYS 20 1HE LYS 20 7.151 15.655 2.008 167 HZ1 LYS 20 3HZ LYS 20 8.525 13.080 2.720 168 HZ2 LYS 20 1HZ LYS 20 8.613 14.601 3.476 169 HZ3 LYS 20 2HZ LYS 20 9.278 14.402 1.970 170 H SER 21 H SER 21 3.309 11.957 6.227 171 HA SER 21 HA SER 21 3.218 14.599 7.159 172 HB2 SER 21 2HB SER 21 1.257 14.766 5.601 173 HB3 SER 21 1HB SER 21 0.468 13.469 6.485 174 HG SER 21 HG SER 21 0.619 16.108 6.994 175 H ILE 22 H ILE 22 1.056 14.254 8.945 176 HA ILE 22 HA ILE 22 2.317 12.505 10.874 177 HB ILE 22 HB ILE 22 0.655 13.390 12.474 178 HG12 ILE 22 2HG1 ILE 22 -0.277 15.095 10.138 179 HG13 ILE 22 1HG1 ILE 22 -1.190 13.777 10.858 180 HG21 ILE 22 1HG2 ILE 22 2.160 15.480 10.901 181 HG22 ILE 22 2HG2 ILE 22 2.799 14.499 12.220 182 HG23 ILE 22 3HG2 ILE 22 1.535 15.688 12.538 183 HD11 ILE 22 3HD1 ILE 22 -0.398 16.340 12.230 184 HD12 ILE 22 1HD1 ILE 22 -1.326 15.028 12.957 185 HD13 ILE 22 2HD1 ILE 22 -2.001 15.945 11.609 186 H ALA 23 H ALA 23 0.863 11.266 12.322 187 HA ALA 23 HA ALA 23 -0.067 9.033 11.018 188 HB1 ALA 23 1HB ALA 23 0.706 9.078 13.332 189 HB2 ALA 23 2HB ALA 23 -0.869 8.287 13.181 190 HB3 ALA 23 3HB ALA 23 -0.763 9.947 13.779 191 H LEU 24 H LEU 24 -1.793 11.914 11.795 192 HA LEU 24 HA LEU 24 -4.415 10.764 11.855 193 HB2 LEU 24 2HB LEU 24 -3.730 12.902 13.010 194 HB3 LEU 24 1HB LEU 24 -3.583 13.655 11.447 195 HG LEU 24 HG LEU 24 -5.630 14.292 12.725 196 HD11 LEU 24 1HD1 LEU 24 -5.648 14.586 10.331 197 HD12 LEU 24 2HD1 LEU 24 -7.243 14.104 10.908 198 HD13 LEU 24 3HD1 LEU 24 -6.201 12.926 10.111 199 HD21 LEU 24 3HD2 LEU 24 -6.088 12.167 13.803 200 HD22 LEU 24 1HD2 LEU 24 -6.472 11.438 12.243 201 HD23 LEU 24 2HD2 LEU 24 -7.493 12.721 12.892 202 H THR 25 H THR 25 -2.403 12.445 9.486 203 HA THR 25 HA THR 25 -4.293 12.600 7.424 204 HB THR 25 HB THR 25 -1.310 12.406 7.240 205 HG1 THR 25 HG1 THR 25 -1.199 14.454 7.891 206 HG21 THR 25 3HG2 THR 25 -3.370 13.803 5.517 207 HG22 THR 25 1HG2 THR 25 -2.616 12.250 5.181 208 HG23 THR 25 2HG2 THR 25 -1.622 13.717 5.198 209 H ILE 26 H ILE 26 -1.594 10.422 8.037 210 HA ILE 26 HA ILE 26 -1.791 8.815 5.816 211 HB ILE 26 HB ILE 26 -1.051 7.778 8.575 212 HG12 ILE 26 2HG1 ILE 26 0.696 9.159 6.488 213 HG13 ILE 26 1HG1 ILE 26 0.219 9.839 8.031 214 HG21 ILE 26 1HG2 ILE 26 -1.373 6.035 6.983 215 HG22 ILE 26 2HG2 ILE 26 0.369 6.207 7.254 216 HG23 ILE 26 3HG2 ILE 26 -0.383 6.853 5.787 217 HD11 ILE 26 3HD1 ILE 26 2.513 9.052 8.064 218 HD12 ILE 26 1HD1 ILE 26 1.975 7.426 7.639 219 HD13 ILE 26 2HD1 ILE 26 1.517 8.130 9.190 220 H ALA 27 H ALA 27 -3.455 8.511 8.897 221 HA ALA 27 HA ALA 27 -4.827 6.137 8.435 222 HB1 ALA 27 1HB ALA 27 -4.636 7.214 10.612 223 HB2 ALA 27 2HB ALA 27 -6.319 6.865 10.211 224 HB3 ALA 27 3HB ALA 27 -5.698 8.513 10.068 225 H LYS 28 H LYS 28 -5.602 9.503 7.368 226 HA LYS 28 HA LYS 28 -8.219 8.800 6.658 227 HB2 LYS 28 2HB LYS 28 -8.143 10.999 7.253 228 HB3 LYS 28 1HB LYS 28 -6.459 11.177 6.779 229 HG2 LYS 28 2HG LYS 28 -7.073 11.110 4.553 230 HG3 LYS 28 1HG LYS 28 -8.812 11.073 4.928 231 HD2 LYS 28 2HD LYS 28 -8.561 13.285 6.032 232 HD3 LYS 28 1HD LYS 28 -6.836 13.272 5.648 233 HE2 LYS 28 2HE LYS 28 -9.119 13.333 3.669 234 HE3 LYS 28 1HE LYS 28 -8.024 14.662 4.045 235 HZ1 LYS 28 3HZ LYS 28 -6.178 13.106 3.247 236 HZ2 LYS 28 1HZ LYS 28 -7.190 13.604 2.001 237 HZ3 LYS 28 2HZ LYS 28 -7.287 12.090 2.715 238 H GLU 29 H GLU 29 -5.066 9.157 5.096 239 HA GLU 29 HA GLU 29 -6.092 9.163 2.450 240 HB2 GLU 29 2HB GLU 29 -3.311 8.336 3.238 241 HB3 GLU 29 1HB GLU 29 -3.834 9.006 1.704 242 HG2 GLU 29 2HG GLU 29 -3.408 10.382 4.329 243 HG3 GLU 29 1HG GLU 29 -2.649 10.704 2.785 244 H ILE 30 H ILE 30 -4.817 6.694 4.593 245 HA ILE 30 HA ILE 30 -5.171 4.745 2.450 246 HB ILE 30 HB ILE 30 -4.116 3.071 3.911 247 HG12 ILE 30 2HG1 ILE 30 -3.663 5.390 5.793 248 HG13 ILE 30 1HG1 ILE 30 -4.714 4.026 6.115 249 HG21 ILE 30 1HG2 ILE 30 -2.536 5.608 3.476 250 HG22 ILE 30 2HG2 ILE 30 -2.761 4.292 2.321 251 HG23 ILE 30 3HG2 ILE 30 -1.829 4.025 3.795 252 HD11 ILE 30 3HD1 ILE 30 -2.727 2.549 6.068 253 HD12 ILE 30 1HD1 ILE 30 -2.624 3.797 7.311 254 HD13 ILE 30 2HD1 ILE 30 -1.715 3.968 5.809 255 H GLY 31 H GLY 31 -7.049 5.981 4.791 256 HA2 GLY 31 2HA GLY 31 -9.193 5.441 5.404 257 HA3 GLY 31 1HA GLY 31 -9.097 4.061 4.325 258 H LEU 32 H LEU 32 -6.742 4.415 6.792 259 HA LEU 32 HA LEU 32 -8.001 2.158 8.205 260 HB2 LEU 32 2HB LEU 32 -5.079 2.947 8.353 261 HB3 LEU 32 1HB LEU 32 -5.810 1.521 9.044 262 HG LEU 32 HG LEU 32 -5.127 2.093 6.185 263 HD11 LEU 32 1HD1 LEU 32 -3.997 -0.038 6.298 264 HD12 LEU 32 2HD1 LEU 32 -4.510 -0.223 7.974 265 HD13 LEU 32 3HD1 LEU 32 -3.416 1.086 7.528 266 HD21 LEU 32 3HD2 LEU 32 -6.295 0.055 5.509 267 HD22 LEU 32 1HD2 LEU 32 -7.368 1.325 6.087 268 HD23 LEU 32 2HD2 LEU 32 -7.014 -0.067 7.131 269 H ASP 33 H ASP 33 -6.690 2.295 10.647 270 HA ASP 33 HA ASP 33 -7.780 4.827 11.531 271 HB2 ASP 33 2HB ASP 33 -8.680 2.690 12.601 272 HB3 ASP 33 1HB ASP 33 -7.088 2.468 13.303 273 H LYS 34 H LYS 34 -6.546 5.375 13.763 274 HA LYS 34 HA LYS 34 -4.082 6.458 12.704 275 HB2 LYS 34 2HB LYS 34 -5.380 7.053 15.398 276 HB3 LYS 34 1HB LYS 34 -4.182 8.018 14.566 277 HG2 LYS 34 2HG LYS 34 -6.301 9.177 14.433 278 HG3 LYS 34 1HG LYS 34 -5.948 8.550 12.820 279 HD2 LYS 34 2HD LYS 34 -7.403 6.649 13.223 280 HD3 LYS 34 1HD LYS 34 -7.733 7.208 14.856 281 HE2 LYS 34 2HE LYS 34 -9.004 9.021 13.984 282 HE3 LYS 34 1HE LYS 34 -8.454 8.679 12.335 283 HZ1 LYS 34 3HZ LYS 34 -9.750 6.538 13.853 284 HZ2 LYS 34 1HZ LYS 34 -9.667 6.735 12.230 285 HZ3 LYS 34 2HZ LYS 34 -10.778 7.673 13.121 286 H SER 35 H SER 35 -5.300 4.001 14.765 287 HA SER 35 HA SER 35 -3.120 3.850 16.601 288 HB2 SER 35 2HB SER 35 -4.358 1.642 17.038 289 HB3 SER 35 1HB SER 35 -5.257 3.137 17.373 290 HG SER 35 HG SER 35 -6.531 2.763 15.693 291 H THR 36 H THR 36 -4.364 2.353 13.767 292 HA THR 36 HA THR 36 -2.616 0.317 13.290 293 HB THR 36 HB THR 36 -3.731 2.009 11.105 294 HG1 THR 36 HG1 THR 36 -5.228 0.656 13.168 295 HG21 THR 36 3HG2 THR 36 -3.944 -0.816 11.933 296 HG22 THR 36 1HG2 THR 36 -2.758 -0.217 10.752 297 HG23 THR 36 2HG2 THR 36 -4.512 -0.137 10.390 298 H VAL 37 H VAL 37 -2.611 3.682 11.962 299 HA VAL 37 HA VAL 37 -0.180 3.590 10.649 300 HB VAL 37 HB VAL 37 -1.511 5.938 11.980 301 HG11 VAL 37 1HG1 VAL 37 -0.308 7.268 10.303 302 HG12 VAL 37 2HG1 VAL 37 0.532 5.809 9.766 303 HG13 VAL 37 3HG1 VAL 37 0.768 6.421 11.407 304 HG21 VAL 37 3HG2 VAL 37 -3.011 4.822 10.430 305 HG22 VAL 37 1HG2 VAL 37 -1.775 4.876 9.175 306 HG23 VAL 37 2HG2 VAL 37 -2.493 6.372 9.770 307 H ASN 38 H ASN 38 -0.914 4.461 13.994 308 HA ASN 38 HA ASN 38 1.601 5.308 14.791 309 HB2 ASN 38 2HB ASN 38 -0.692 4.160 16.275 310 HB3 ASN 38 1HB ASN 38 0.865 4.174 17.092 311 HD21 ASN 38 2HD2 ASN 38 -1.172 7.592 16.488 312 HD22 ASN 38 1HD2 ASN 38 -1.619 6.092 15.711 313 H ARG 39 H ARG 39 0.387 2.002 14.601 314 HA ARG 39 HA ARG 39 2.747 0.979 15.843 315 HB2 ARG 39 2HB ARG 39 2.199 -1.255 15.152 316 HB3 ARG 39 1HB ARG 39 0.674 -0.457 15.533 317 HG2 ARG 39 2HG ARG 39 -0.016 -0.444 13.360 318 HG3 ARG 39 1HG ARG 39 1.610 -0.391 12.755 319 HD2 ARG 39 2HD ARG 39 0.516 -2.838 14.085 320 HD3 ARG 39 1HD ARG 39 0.438 -2.571 12.337 321 HE ARG 39 HE ARG 39 2.881 -2.995 13.935 322 HH11 ARG 39 1HH1 ARG 39 1.393 -2.720 10.714 323 HH12 ARG 39 2HH1 ARG 39 2.848 -3.050 9.884 324 HH21 ARG 39 2HH2 ARG 39 4.753 -3.586 10.986 325 HH22 ARG 39 1HH2 ARG 39 4.859 -3.551 12.695 326 H HIS 40 H HIS 40 1.876 1.613 12.521 327 HA HIS 40 HA HIS 40 4.087 0.283 11.357 328 HB2 HIS 40 2HB HIS 40 2.504 2.617 10.281 329 HB3 HIS 40 1HB HIS 40 3.686 1.697 9.358 330 HD1 HIS 40 HD1 HIS 40 2.819 -0.985 8.832 331 HD2 HIS 40 HD2 HIS 40 -0.029 1.689 10.278 332 HE1 HIS 40 HE1 HIS 40 0.607 -1.961 8.309 333 H LEU 41 H LEU 41 3.631 3.537 12.475 334 HA LEU 41 HA LEU 41 6.122 4.439 11.369 335 HB2 LEU 41 2HB LEU 41 5.686 6.548 12.519 336 HB3 LEU 41 1HB LEU 41 4.402 6.070 11.420 337 HG LEU 41 HG LEU 41 3.311 5.181 13.654 338 HD11 LEU 41 1HD1 LEU 41 3.759 6.570 15.575 339 HD12 LEU 41 2HD1 LEU 41 5.095 7.337 14.716 340 HD13 LEU 41 3HD1 LEU 41 5.167 5.617 15.109 341 HD21 LEU 41 3HD2 LEU 41 2.127 7.230 13.875 342 HD22 LEU 41 1HD2 LEU 41 2.436 6.858 12.181 343 HD23 LEU 41 2HD2 LEU 41 3.403 8.101 12.998 344 H TYR 42 H TYR 42 5.111 3.174 14.363 345 HA TYR 42 HA TYR 42 7.297 4.173 15.790 346 HB2 TYR 42 2HB TYR 42 4.869 2.759 16.195 347 HB3 TYR 42 1HB TYR 42 6.110 2.208 17.252 348 HD1 TYR 42 HD1 TYR 42 7.485 4.699 17.892 349 HD2 TYR 42 HD2 TYR 42 3.380 4.029 17.282 350 HE1 TYR 42 HE1 TYR 42 6.991 6.691 19.285 351 HE2 TYR 42 HE2 TYR 42 2.821 6.024 18.667 352 HH TYR 42 HH TYR 42 3.815 7.402 20.363 353 H ASN 43 H ASN 43 6.184 1.337 14.278 354 HA ASN 43 HA ASN 43 8.113 -0.470 15.311 355 HB2 ASN 43 2HB ASN 43 6.362 -0.619 12.861 356 HB3 ASN 43 1HB ASN 43 7.617 -1.814 13.120 357 HD21 ASN 43 2HD2 ASN 43 4.859 -1.849 16.121 358 HD22 ASN 43 1HD2 ASN 43 5.707 -0.402 15.703 359 H LEU 44 H LEU 44 8.132 1.651 12.369 360 HA LEU 44 HA LEU 44 10.684 0.496 11.829 361 HB2 LEU 44 2HB LEU 44 9.035 2.501 10.439 362 HB3 LEU 44 1HB LEU 44 10.482 1.714 9.782 363 HG LEU 44 HG LEU 44 7.830 0.414 10.409 364 HD11 LEU 44 1HD1 LEU 44 7.813 1.553 8.300 365 HD12 LEU 44 2HD1 LEU 44 7.876 -0.186 8.005 366 HD13 LEU 44 3HD1 LEU 44 9.330 0.791 7.829 367 HD21 LEU 44 3HD2 LEU 44 9.578 -1.139 11.059 368 HD22 LEU 44 1HD2 LEU 44 10.397 -0.913 9.511 369 HD23 LEU 44 2HD2 LEU 44 8.820 -1.696 9.571 370 H GLN 45 H GLN 45 9.401 3.090 13.558 371 HA GLN 45 HA GLN 45 11.410 5.023 13.238 372 HB2 GLN 45 2HB GLN 45 9.312 5.440 14.366 373 HB3 GLN 45 1HB GLN 45 9.798 4.367 15.675 374 HG2 GLN 45 2HG GLN 45 11.520 5.798 16.349 375 HG3 GLN 45 1HG GLN 45 11.400 6.755 14.868 376 HE21 GLN 45 2HE2 GLN 45 8.764 8.618 15.896 377 HE22 GLN 45 1HE2 GLN 45 9.758 8.110 14.597 378 H ARG 46 H ARG 46 10.979 2.173 15.153 379 HA ARG 46 HA ARG 46 13.143 2.405 16.976 380 HB2 ARG 46 2HB ARG 46 11.929 -0.117 15.845 381 HB3 ARG 46 1HB ARG 46 12.940 -0.022 17.268 382 HG2 ARG 46 2HG ARG 46 10.172 1.123 16.945 383 HG3 ARG 46 1HG ARG 46 10.619 -0.305 17.876 384 HD2 ARG 46 2HD ARG 46 10.582 1.206 19.585 385 HD3 ARG 46 1HD ARG 46 12.235 1.441 19.002 386 HE ARG 46 HE ARG 46 10.476 3.185 17.661 387 HH11 ARG 46 1HH1 ARG 46 12.128 2.763 20.752 388 HH12 ARG 46 2HH1 ARG 46 12.023 4.388 21.244 389 HH21 ARG 46 2HH2 ARG 46 10.936 5.990 19.816 390 HH22 ARG 46 1HH2 ARG 46 10.285 5.534 18.350 391 H SER 47 H SER 47 12.870 1.352 13.759 392 HA SER 47 HA SER 47 15.547 0.226 13.660 393 HB2 SER 47 2HB SER 47 13.727 -1.033 12.611 394 HB3 SER 47 1HB SER 47 13.366 0.334 11.563 395 HG SER 47 HG SER 47 15.812 -0.028 11.080 396 H ASN 48 H ASN 48 14.225 3.345 13.315 397 HA ASN 48 HA ASN 48 14.786 5.209 12.370 398 HB2 ASN 48 2HB ASN 48 17.452 3.834 12.300 399 HB3 ASN 48 1HB ASN 48 17.278 5.517 11.790 400 HD21 ASN 48 2HD2 ASN 48 17.317 4.486 15.695 401 HD22 ASN 48 1HD2 ASN 48 17.295 3.289 14.443 402 H GLN 49 H GLN 49 13.683 3.246 10.790 403 HA GLN 49 HA GLN 49 14.762 3.867 8.140 404 HB2 GLN 49 2HB GLN 49 14.039 1.486 8.854 405 HB3 GLN 49 1HB GLN 49 12.400 2.092 8.852 406 HG2 GLN 49 2HG GLN 49 14.229 1.866 6.450 407 HG3 GLN 49 1HG GLN 49 12.864 0.823 6.827 408 HE21 GLN 49 2HE2 GLN 49 10.460 3.156 5.800 409 HE22 GLN 49 1HE2 GLN 49 10.778 1.745 6.745 410 H VAL 50 H VAL 50 11.781 4.064 10.161 411 HA VAL 50 HA VAL 50 11.002 6.307 8.538 412 HB VAL 50 HB VAL 50 8.853 5.755 8.601 413 HG11 VAL 50 1HG1 VAL 50 9.896 3.117 8.445 414 HG12 VAL 50 2HG1 VAL 50 9.570 4.298 7.201 415 HG13 VAL 50 3HG1 VAL 50 8.235 3.596 8.113 416 HG21 VAL 50 3HG2 VAL 50 8.243 5.768 10.811 417 HG22 VAL 50 1HG2 VAL 50 9.169 4.321 11.193 418 HG23 VAL 50 2HG2 VAL 50 7.698 4.208 10.211 419 H PHE 51 H PHE 51 10.425 7.890 9.633 420 HA PHE 51 HA PHE 51 9.909 8.131 12.364 421 HB2 PHE 51 2HB PHE 51 11.973 9.606 12.979 422 HB3 PHE 51 1HB PHE 51 12.164 7.861 12.972 423 HD1 PHE 51 HD1 PHE 51 13.865 6.925 11.897 424 HD2 PHE 51 HD2 PHE 51 12.698 10.833 10.776 425 HE1 PHE 51 HE1 PHE 51 15.801 7.037 10.463 426 HE2 PHE 51 HE2 PHE 51 14.665 11.000 9.291 427 HZ PHE 51 HZ PHE 51 16.233 9.100 9.125 428 H ASN 52 H ASN 52 10.521 10.795 12.900 429 HA ASN 52 HA ASN 52 9.282 12.100 10.635 430 HB2 ASN 52 2HB ASN 52 8.301 13.710 12.221 431 HB3 ASN 52 1HB ASN 52 7.638 12.090 12.161 432 HD21 ASN 52 2HD2 ASN 52 8.225 13.497 15.663 433 HD22 ASN 52 1HD2 ASN 52 7.591 14.201 14.198 434 H SER 53 H SER 53 10.251 13.518 9.766 435 HA SER 53 HA SER 53 12.150 15.306 11.061 436 HB2 SER 53 2HB SER 53 13.282 13.043 11.002 437 HB3 SER 53 1HB SER 53 13.288 13.226 9.243 438 HG SER 53 HG SER 53 14.867 14.444 11.166 439 H ASN 54 H ASN 54 13.873 15.603 8.847 440 HA ASN 54 HA ASN 54 14.355 16.349 6.789 441 HB2 ASN 54 2HB ASN 54 13.483 14.289 6.002 442 HB3 ASN 54 1HB ASN 54 11.832 14.876 6.090 443 HD21 ASN 54 2HD2 ASN 54 11.899 16.347 2.930 444 HD22 ASN 54 1HD2 ASN 54 10.975 16.051 4.337 445 H GLU 55 H GLU 55 11.384 17.595 8.040 446 HA GLU 55 HA GLU 55 11.754 19.899 6.385 447 HB2 GLU 55 2HB GLU 55 9.277 19.708 5.610 448 HB3 GLU 55 1HB GLU 55 10.513 18.782 4.772 449 HG2 GLU 55 2HG GLU 55 9.932 16.890 6.318 450 HG3 GLU 55 1HG GLU 55 8.450 17.758 6.735 451 H LYS 56 H LYS 56 9.725 21.398 6.768 452 HA LYS 56 HA LYS 56 10.045 22.260 9.401 453 HB2 LYS 56 2HB LYS 56 7.878 23.112 7.441 454 HB3 LYS 56 1HB LYS 56 8.160 23.873 8.997 455 HG2 LYS 56 2HG LYS 56 10.408 24.504 8.271 456 HG3 LYS 56 1HG LYS 56 10.115 23.730 6.713 457 HD2 LYS 56 2HD LYS 56 8.270 25.275 6.277 458 HD3 LYS 56 1HD LYS 56 8.518 26.029 7.852 459 HE2 LYS 56 2HE LYS 56 10.768 26.720 7.159 460 HE3 LYS 56 1HE LYS 56 10.512 25.967 5.585 461 HZ1 LYS 56 3HZ LYS 56 8.695 27.519 5.183 462 HZ2 LYS 56 1HZ LYS 56 10.133 28.349 5.502 463 HZ3 LYS 56 2HZ LYS 56 8.942 28.237 6.693 464 HA PRO 57 HA PRO 57 6.277 19.991 10.846 465 HB2 PRO 57 2HB PRO 57 4.848 18.514 8.880 466 HB3 PRO 57 1HB PRO 57 4.299 20.024 9.628 467 HG2 PRO 57 2HG PRO 57 4.929 19.713 6.949 468 HG3 PRO 57 1HG PRO 57 4.798 21.255 7.816 469 HD2 PRO 57 2HD PRO 57 7.232 19.702 7.107 470 HD3 PRO 57 1HD PRO 57 6.983 21.459 7.161 471 HA PRO 58 HA PRO 58 9.372 16.618 10.739 472 HB2 PRO 58 2HB PRO 58 7.504 15.742 12.918 473 HB3 PRO 58 1HB PRO 58 9.284 15.763 12.920 474 HG2 PRO 58 2HG PRO 58 7.985 17.625 14.220 475 HG3 PRO 58 1HG PRO 58 9.414 18.038 13.249 476 HD2 PRO 58 2HD PRO 58 6.547 18.554 12.665 477 HD3 PRO 58 1HD PRO 58 7.983 19.510 12.244 478 H VAL 59 H VAL 59 9.106 15.295 9.053 479 HA VAL 59 HA VAL 59 6.454 14.493 8.343 480 HB VAL 59 HB VAL 59 8.070 15.327 6.676 481 HG11 VAL 59 1HG1 VAL 59 10.133 14.253 7.364 482 HG12 VAL 59 2HG1 VAL 59 9.748 13.846 5.688 483 HG13 VAL 59 3HG1 VAL 59 9.457 12.673 6.961 484 HG21 VAL 59 3HG2 VAL 59 6.938 12.602 6.275 485 HG22 VAL 59 1HG2 VAL 59 7.543 13.595 4.969 486 HG23 VAL 59 2HG2 VAL 59 6.139 14.140 5.912 487 H TRP 60 H TRP 60 5.520 12.605 8.777 488 HA TRP 60 HA TRP 60 7.303 10.452 9.405 489 HB2 TRP 60 2HB TRP 60 4.275 10.446 9.249 490 HB3 TRP 60 1HB TRP 60 5.284 9.130 9.854 491 HD1 TRP 60 HD1 TRP 60 4.217 12.595 10.647 492 HE1 TRP 60 HE1 TRP 60 4.396 13.010 13.242 493 HE3 TRP 60 HE3 TRP 60 6.589 8.346 11.888 494 HZ2 TRP 60 HZ2 TRP 60 5.478 11.634 15.466 495 HZ3 TRP 60 HZ3 TRP 60 7.212 7.941 14.231 496 HH2 TRP 60 HH2 TRP 60 6.671 9.551 15.982 497 H ASP 61 H ASP 61 8.235 9.991 7.894 498 HA ASP 61 HA ASP 61 7.195 8.882 5.430 499 HB2 ASP 61 2HB ASP 61 7.466 11.366 4.980 500 HB3 ASP 61 1HB ASP 61 9.167 11.222 5.387 501 H LEU 62 H LEU 62 9.381 8.462 4.255 502 HA LEU 62 HA LEU 62 11.252 7.437 6.202 503 HB2 LEU 62 2HB LEU 62 11.134 5.122 5.246 504 HB3 LEU 62 1HB LEU 62 9.802 5.853 6.162 505 HG LEU 62 HG LEU 62 8.435 6.084 4.265 506 HD11 LEU 62 1HD1 LEU 62 10.673 4.961 2.628 507 HD12 LEU 62 2HD1 LEU 62 10.072 6.618 2.584 508 HD13 LEU 62 3HD1 LEU 62 9.039 5.287 2.057 509 HD21 LEU 62 3HD2 LEU 62 9.643 3.341 4.288 510 HD22 LEU 62 1HD2 LEU 62 8.065 3.774 3.643 511 HD23 LEU 62 2HD2 LEU 62 8.379 3.931 5.373 512 H MET 63 H MET 63 12.966 5.920 4.928 513 HA MET 63 HA MET 63 14.342 7.893 3.246 514 HB2 MET 63 2HB MET 63 15.291 5.511 4.799 515 HB3 MET 63 1HB MET 63 16.332 6.437 3.735 516 HG2 MET 63 2HG MET 63 14.883 7.544 6.136 517 HG3 MET 63 1HG MET 63 16.590 7.101 6.087 518 HE1 MET 63 3HE MET 63 17.239 9.544 6.964 519 HE2 MET 63 1HE MET 63 15.529 9.975 7.007 520 HE3 MET 63 2HE MET 63 16.684 11.031 6.194 521 H GLU 64 H GLU 64 12.292 5.876 2.299 522 HA GLU 64 HA GLU 64 13.889 4.712 0.150 523 HB2 GLU 64 2HB GLU 64 13.500 2.993 1.891 524 HB3 GLU 64 1HB GLU 64 11.781 3.284 1.818 525 HG2 GLU 64 2HG GLU 64 12.249 1.241 0.652 526 HG3 GLU 64 1HG GLU 64 11.781 2.450 -0.533
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